data_19883 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19883 _Entry.PDB_ID 2MN9 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 19883 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 LEU HA H 2 4.035 4.035 4.704 -0.669 19883 2 1 1 . 1 1 2 2 LEU CA C 2 57.741 57.741 55.111 2.630 19883 3 1 1 . 1 1 2 2 LEU CB C 2 42.554 42.554 42.113 0.441 19883 4 1 1 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.220 0.169 19883 5 1 1 . 1 1 3 3 PHE CA C 3 60.216 60.216 60.155 0.061 19883 6 1 1 . 1 1 3 3 PHE CB C 3 38.250 38.250 38.351 -0.101 19883 7 1 1 . 1 1 3 3 PHE H H 3 8.090 8.090 8.578 -0.488 19883 8 1 1 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.776 1.017 19883 9 1 1 . 1 1 4 4 GLY H H 4 8.070 8.070 7.893 0.177 19883 10 1 1 . 1 1 5 5 VAL HA H 5 3.804 3.804 3.945 -0.141 19883 11 1 1 . 1 1 5 5 VAL CA C 5 65.716 65.716 64.711 1.005 19883 12 1 1 . 1 1 5 5 VAL CB C 5 32.059 32.059 32.156 -0.097 19883 13 1 1 . 1 1 5 5 VAL H H 5 7.761 7.761 7.643 0.118 19883 14 1 1 . 1 1 6 6 LEU HA H 6 4.053 4.053 4.010 0.043 19883 15 1 1 . 1 1 6 6 LEU CA C 6 54.653 54.653 57.925 -3.272 19883 16 1 1 . 1 1 6 6 LEU CB C 6 41.244 41.244 41.998 -0.755 19883 17 1 1 . 1 1 6 6 LEU H H 6 7.942 7.942 8.746 -0.804 19883 18 1 1 . 1 1 7 7 ALA HA H 7 4.102 4.102 3.891 0.211 19883 19 1 1 . 1 1 7 7 ALA CA C 7 54.298 54.298 55.152 -0.854 19883 20 1 1 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.061 0.351 19883 21 1 1 . 1 1 7 7 ALA H H 7 7.830 7.830 7.699 0.131 19883 22 1 1 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.083 0.099 19883 23 1 1 . 1 1 8 8 LYS CA C 8 57.923 57.923 59.239 -1.316 19883 24 1 1 . 1 1 8 8 LYS CB C 8 32.826 32.826 32.259 0.567 19883 25 1 1 . 1 1 8 8 LYS H H 8 7.600 7.600 7.973 -0.373 19883 26 1 1 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.844 0.147 19883 27 1 1 . 1 1 9 9 VAL CA C 9 64.403 64.403 65.004 -0.601 19883 28 1 1 . 1 1 9 9 VAL CB C 9 32.244 32.244 31.268 0.976 19883 29 1 1 . 1 1 9 9 VAL H H 9 7.620 7.620 7.614 0.006 19883 30 1 1 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.184 0.036 19883 31 1 1 . 1 1 10 10 ALA CA C 10 53.200 53.200 54.149 -0.949 19883 32 1 1 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.425 0.567 19883 33 1 1 . 1 1 10 10 ALA H H 10 8.085 8.085 7.342 0.743 19883 34 1 1 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.314 -0.055 19883 35 1 1 . 1 1 11 11 ALA CA C 11 54.466 54.466 52.336 2.130 19883 36 1 1 . 1 1 11 11 ALA CB C 11 19.532 19.532 19.374 0.158 19883 37 1 1 . 1 1 11 11 ALA H H 11 7.386 7.386 7.832 -0.446 19883 38 1 1 . 1 1 15 15 GLY CA C 15 46.582 46.582 45.675 0.907 19883 39 1 1 . 1 1 15 15 GLY H H 15 8.506 8.506 8.288 0.218 19883 40 1 1 . 1 1 16 16 ALA HA H 16 4.266 4.266 4.140 0.126 19883 41 1 1 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.424 0.044 19883 42 1 1 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.666 0.398 19883 43 1 1 . 1 1 16 16 ALA H H 16 7.936 7.936 8.363 -0.427 19883 44 1 1 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.792 0.030 19883 45 1 1 . 1 1 17 17 ILE CA C 17 64.801 64.801 64.145 0.656 19883 46 1 1 . 1 1 17 17 ILE CB C 17 37.562 37.562 37.650 -0.088 19883 47 1 1 . 1 1 17 17 ILE H H 17 7.934 7.934 8.108 -0.174 19883 48 1 1 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.218 -0.129 19883 49 1 1 . 1 1 18 18 ALA CA C 18 55.146 55.146 54.991 0.155 19883 50 1 1 . 1 1 18 18 ALA CB C 18 18.347 18.347 18.132 0.215 19883 51 1 1 . 1 1 18 18 ALA H H 18 8.147 8.147 7.592 0.555 19883 52 1 1 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.135 -0.087 19883 53 1 1 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.605 -0.239 19883 54 1 1 . 1 1 19 19 GLU CB C 19 29.668 29.668 29.730 -0.062 19883 55 1 1 . 1 1 19 19 GLU H H 19 7.911 7.911 7.928 -0.017 19883 56 1 1 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.367 -0.088 19883 57 1 1 . 1 1 20 20 HIS CA C 20 57.953 57.953 57.673 0.279 19883 58 1 1 . 1 1 20 20 HIS CB C 20 28.968 28.968 30.328 -1.361 19883 59 1 1 . 1 1 20 20 HIS H H 20 7.811 7.811 7.546 0.265 19883 60 1 2 . 1 1 2 2 LEU HA H 2 4.035 4.035 4.542 -0.507 19883 61 1 2 . 1 1 2 2 LEU CA C 2 57.741 57.741 55.505 2.236 19883 62 1 2 . 1 1 2 2 LEU CB C 2 42.554 42.554 42.316 0.238 19883 63 1 2 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.225 0.164 19883 64 1 2 . 1 1 3 3 PHE CA C 3 60.216 60.216 60.111 0.105 19883 65 1 2 . 1 1 3 3 PHE CB C 3 38.250 38.250 38.355 -0.105 19883 66 1 2 . 1 1 3 3 PHE H H 3 8.090 8.090 8.574 -0.484 19883 67 1 2 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.775 1.018 19883 68 1 2 . 1 1 4 4 GLY H H 4 8.070 8.070 7.836 0.234 19883 69 1 2 . 1 1 5 5 VAL HA H 5 3.804 3.804 4.079 -0.275 19883 70 1 2 . 1 1 5 5 VAL CA C 5 65.716 65.716 64.403 1.313 19883 71 1 2 . 1 1 5 5 VAL CB C 5 32.059 32.059 31.955 0.104 19883 72 1 2 . 1 1 5 5 VAL H H 5 7.761 7.761 7.651 0.110 19883 73 1 2 . 1 1 6 6 LEU HA H 6 4.053 4.053 3.958 0.095 19883 74 1 2 . 1 1 6 6 LEU CA C 6 54.653 54.653 58.250 -3.597 19883 75 1 2 . 1 1 6 6 LEU CB C 6 41.244 41.244 41.869 -0.625 19883 76 1 2 . 1 1 6 6 LEU H H 6 7.942 7.942 8.569 -0.627 19883 77 1 2 . 1 1 7 7 ALA HA H 7 4.102 4.102 4.042 0.060 19883 78 1 2 . 1 1 7 7 ALA CA C 7 54.298 54.298 54.840 -0.542 19883 79 1 2 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.142 0.270 19883 80 1 2 . 1 1 7 7 ALA H H 7 7.830 7.830 7.712 0.118 19883 81 1 2 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.087 0.096 19883 82 1 2 . 1 1 8 8 LYS CA C 8 57.923 57.923 58.993 -1.070 19883 83 1 2 . 1 1 8 8 LYS CB C 8 32.826 32.826 32.226 0.600 19883 84 1 2 . 1 1 8 8 LYS H H 8 7.600 7.600 7.868 -0.268 19883 85 1 2 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.762 0.229 19883 86 1 2 . 1 1 9 9 VAL CA C 9 64.403 64.403 65.646 -1.243 19883 87 1 2 . 1 1 9 9 VAL CB C 9 32.244 32.244 31.525 0.719 19883 88 1 2 . 1 1 9 9 VAL H H 9 7.620 7.620 7.429 0.191 19883 89 1 2 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.197 0.023 19883 90 1 2 . 1 1 10 10 ALA CA C 10 53.200 53.200 53.523 -0.323 19883 91 1 2 . 1 1 10 10 ALA CB C 10 18.992 18.992 19.055 -0.063 19883 92 1 2 . 1 1 10 10 ALA H H 10 8.085 8.085 7.712 0.373 19883 93 1 2 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.298 -0.039 19883 94 1 2 . 1 1 11 11 ALA CA C 11 54.466 54.466 52.374 2.092 19883 95 1 2 . 1 1 11 11 ALA CB C 11 19.532 19.532 19.318 0.214 19883 96 1 2 . 1 1 11 11 ALA H H 11 7.386 7.386 7.754 -0.368 19883 97 1 2 . 1 1 15 15 GLY CA C 15 46.582 46.582 45.852 0.730 19883 98 1 2 . 1 1 15 15 GLY H H 15 8.506 8.506 8.379 0.127 19883 99 1 2 . 1 1 16 16 ALA HA H 16 4.266 4.266 4.126 0.140 19883 100 1 2 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.608 -0.140 19883 101 1 2 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.698 0.366 19883 102 1 2 . 1 1 16 16 ALA H H 16 7.936 7.936 8.343 -0.407 19883 103 1 2 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.790 0.032 19883 104 1 2 . 1 1 17 17 ILE CA C 17 64.801 64.801 64.246 0.555 19883 105 1 2 . 1 1 17 17 ILE CB C 17 37.562 37.562 37.656 -0.094 19883 106 1 2 . 1 1 17 17 ILE H H 17 7.934 7.934 8.087 -0.153 19883 107 1 2 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.178 -0.089 19883 108 1 2 . 1 1 18 18 ALA CA C 18 55.146 55.146 54.798 0.348 19883 109 1 2 . 1 1 18 18 ALA CB C 18 18.347 18.347 18.384 -0.037 19883 110 1 2 . 1 1 18 18 ALA H H 18 8.147 8.147 7.606 0.541 19883 111 1 2 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.162 -0.114 19883 112 1 2 . 1 1 19 19 GLU CA C 19 58.366 58.366 57.820 0.546 19883 113 1 2 . 1 1 19 19 GLU CB C 19 29.668 29.668 29.894 -0.226 19883 114 1 2 . 1 1 19 19 GLU H H 19 7.911 7.911 8.039 -0.128 19883 115 1 2 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.426 -0.147 19883 116 1 2 . 1 1 20 20 HIS CA C 20 57.953 57.953 58.055 -0.102 19883 117 1 2 . 1 1 20 20 HIS CB C 20 28.968 28.968 30.765 -1.797 19883 118 1 2 . 1 1 20 20 HIS H H 20 7.811 7.811 7.589 0.222 19883 119 1 3 . 1 1 2 2 LEU HA H 2 4.035 4.035 4.764 -0.729 19883 120 1 3 . 1 1 2 2 LEU CA C 2 57.741 57.741 55.060 2.681 19883 121 1 3 . 1 1 2 2 LEU CB C 2 42.554 42.554 42.305 0.249 19883 122 1 3 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.213 0.176 19883 123 1 3 . 1 1 3 3 PHE CA C 3 60.216 60.216 60.066 0.150 19883 124 1 3 . 1 1 3 3 PHE CB C 3 38.250 38.250 38.358 -0.108 19883 125 1 3 . 1 1 3 3 PHE H H 3 8.090 8.090 8.558 -0.468 19883 126 1 3 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.630 1.163 19883 127 1 3 . 1 1 4 4 GLY H H 4 8.070 8.070 8.063 0.007 19883 128 1 3 . 1 1 5 5 VAL HA H 5 3.804 3.804 4.084 -0.280 19883 129 1 3 . 1 1 5 5 VAL CA C 5 65.716 65.716 63.101 2.615 19883 130 1 3 . 1 1 5 5 VAL CB C 5 32.059 32.059 31.837 0.221 19883 131 1 3 . 1 1 5 5 VAL H H 5 7.761 7.761 7.593 0.168 19883 132 1 3 . 1 1 6 6 LEU HA H 6 4.053 4.053 3.975 0.078 19883 133 1 3 . 1 1 6 6 LEU CA C 6 54.653 54.653 58.308 -3.655 19883 134 1 3 . 1 1 6 6 LEU CB C 6 41.244 41.244 41.729 -0.485 19883 135 1 3 . 1 1 6 6 LEU H H 6 7.942 7.942 8.730 -0.788 19883 136 1 3 . 1 1 7 7 ALA HA H 7 4.102 4.102 4.010 0.092 19883 137 1 3 . 1 1 7 7 ALA CA C 7 54.298 54.298 54.841 -0.543 19883 138 1 3 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.203 0.209 19883 139 1 3 . 1 1 7 7 ALA H H 7 7.830 7.830 7.944 -0.114 19883 140 1 3 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.187 -0.005 19883 141 1 3 . 1 1 8 8 LYS CA C 8 57.923 57.923 58.725 -0.802 19883 142 1 3 . 1 1 8 8 LYS CB C 8 32.826 32.826 32.700 0.126 19883 143 1 3 . 1 1 8 8 LYS H H 8 7.600 7.600 7.486 0.114 19883 144 1 3 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.767 0.224 19883 145 1 3 . 1 1 9 9 VAL CA C 9 64.403 64.403 65.851 -1.448 19883 146 1 3 . 1 1 9 9 VAL CB C 9 32.244 32.244 31.640 0.604 19883 147 1 3 . 1 1 9 9 VAL H H 9 7.620 7.620 7.462 0.158 19883 148 1 3 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.154 0.066 19883 149 1 3 . 1 1 10 10 ALA CA C 10 53.200 53.200 53.762 -0.562 19883 150 1 3 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.918 0.074 19883 151 1 3 . 1 1 10 10 ALA H H 10 8.085 8.085 7.811 0.274 19883 152 1 3 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.369 -0.110 19883 153 1 3 . 1 1 11 11 ALA CA C 11 54.466 54.466 52.163 2.303 19883 154 1 3 . 1 1 11 11 ALA CB C 11 19.532 19.532 19.500 0.032 19883 155 1 3 . 1 1 11 11 ALA H H 11 7.386 7.386 7.958 -0.572 19883 156 1 3 . 1 1 15 15 GLY CA C 15 46.582 46.582 45.560 1.022 19883 157 1 3 . 1 1 15 15 GLY H H 15 8.506 8.506 8.424 0.082 19883 158 1 3 . 1 1 16 16 ALA HA H 16 4.266 4.266 4.041 0.225 19883 159 1 3 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.772 -0.304 19883 160 1 3 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.646 0.418 19883 161 1 3 . 1 1 16 16 ALA H H 16 7.936 7.936 8.410 -0.474 19883 162 1 3 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.710 0.112 19883 163 1 3 . 1 1 17 17 ILE CA C 17 64.801 64.801 64.420 0.381 19883 164 1 3 . 1 1 17 17 ILE CB C 17 37.562 37.562 37.666 -0.104 19883 165 1 3 . 1 1 17 17 ILE H H 17 7.934 7.934 8.186 -0.252 19883 166 1 3 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.380 -0.291 19883 167 1 3 . 1 1 18 18 ALA CA C 18 55.146 55.146 54.484 0.661 19883 168 1 3 . 1 1 18 18 ALA CB C 18 18.347 18.347 18.353 -0.006 19883 169 1 3 . 1 1 18 18 ALA H H 18 8.147 8.147 7.447 0.700 19883 170 1 3 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.154 -0.106 19883 171 1 3 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.139 0.227 19883 172 1 3 . 1 1 19 19 GLU CB C 19 29.668 29.668 29.842 -0.174 19883 173 1 3 . 1 1 19 19 GLU H H 19 7.911 7.911 8.202 -0.291 19883 174 1 3 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.281 -0.002 19883 175 1 3 . 1 1 20 20 HIS CA C 20 57.953 57.953 58.163 -0.210 19883 176 1 3 . 1 1 20 20 HIS CB C 20 28.968 28.968 30.070 -1.102 19883 177 1 3 . 1 1 20 20 HIS H H 20 7.811 7.811 7.682 0.129 19883 178 1 4 . 1 1 2 2 LEU HA H 2 4.035 4.035 4.673 -0.638 19883 179 1 4 . 1 1 2 2 LEU CA C 2 57.741 57.741 55.260 2.481 19883 180 1 4 . 1 1 2 2 LEU CB C 2 42.554 42.554 42.196 0.359 19883 181 1 4 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.213 0.176 19883 182 1 4 . 1 1 3 3 PHE CA C 3 60.216 60.216 60.156 0.060 19883 183 1 4 . 1 1 3 3 PHE CB C 3 38.250 38.250 38.356 -0.106 19883 184 1 4 . 1 1 3 3 PHE H H 3 8.090 8.090 8.539 -0.449 19883 185 1 4 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.887 0.906 19883 186 1 4 . 1 1 4 4 GLY H H 4 8.070 8.070 7.829 0.241 19883 187 1 4 . 1 1 5 5 VAL HA H 5 3.804 3.804 3.953 -0.149 19883 188 1 4 . 1 1 5 5 VAL CA C 5 65.716 65.716 64.493 1.223 19883 189 1 4 . 1 1 5 5 VAL CB C 5 32.059 32.059 32.216 -0.157 19883 190 1 4 . 1 1 5 5 VAL H H 5 7.761 7.761 7.688 0.073 19883 191 1 4 . 1 1 6 6 LEU HA H 6 4.053 4.053 4.287 -0.234 19883 192 1 4 . 1 1 6 6 LEU CA C 6 54.653 54.653 56.584 -1.931 19883 193 1 4 . 1 1 6 6 LEU CB C 6 41.244 41.244 42.400 -1.156 19883 194 1 4 . 1 1 6 6 LEU H H 6 7.942 7.942 8.356 -0.414 19883 195 1 4 . 1 1 7 7 ALA HA H 7 4.102 4.102 4.208 -0.106 19883 196 1 4 . 1 1 7 7 ALA CA C 7 54.298 54.298 54.593 -0.295 19883 197 1 4 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.703 -0.291 19883 198 1 4 . 1 1 7 7 ALA H H 7 7.830 7.830 7.786 0.044 19883 199 1 4 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.065 0.117 19883 200 1 4 . 1 1 8 8 LYS CA C 8 57.923 57.923 58.754 -0.831 19883 201 1 4 . 1 1 8 8 LYS CB C 8 32.826 32.826 31.589 1.237 19883 202 1 4 . 1 1 8 8 LYS H H 8 7.600 7.600 7.675 -0.075 19883 203 1 4 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.743 0.248 19883 204 1 4 . 1 1 9 9 VAL CA C 9 64.403 64.403 66.038 -1.635 19883 205 1 4 . 1 1 9 9 VAL CB C 9 32.244 32.244 31.417 0.827 19883 206 1 4 . 1 1 9 9 VAL H H 9 7.620 7.620 7.873 -0.253 19883 207 1 4 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.120 0.100 19883 208 1 4 . 1 1 10 10 ALA CA C 10 53.200 53.200 54.387 -1.187 19883 209 1 4 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.241 0.750 19883 210 1 4 . 1 1 10 10 ALA H H 10 8.085 8.085 7.976 0.109 19883 211 1 4 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.299 -0.040 19883 212 1 4 . 1 1 11 11 ALA CA C 11 54.466 54.466 52.317 2.149 19883 213 1 4 . 1 1 11 11 ALA CB C 11 19.532 19.532 19.468 0.063 19883 214 1 4 . 1 1 11 11 ALA H H 11 7.386 7.386 7.730 -0.344 19883 215 1 4 . 1 1 15 15 GLY CA C 15 46.582 46.582 45.848 0.734 19883 216 1 4 . 1 1 15 15 GLY H H 15 8.506 8.506 8.374 0.132 19883 217 1 4 . 1 1 16 16 ALA HA H 16 4.266 4.266 3.980 0.286 19883 218 1 4 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.463 0.005 19883 219 1 4 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.605 0.459 19883 220 1 4 . 1 1 16 16 ALA H H 16 7.936 7.936 8.306 -0.370 19883 221 1 4 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.911 -0.089 19883 222 1 4 . 1 1 17 17 ILE CA C 17 64.801 64.801 64.424 0.378 19883 223 1 4 . 1 1 17 17 ILE CB C 17 37.562 37.562 37.744 -0.182 19883 224 1 4 . 1 1 17 17 ILE H H 17 7.934 7.934 8.074 -0.140 19883 225 1 4 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.250 -0.161 19883 226 1 4 . 1 1 18 18 ALA CA C 18 55.146 55.146 54.701 0.445 19883 227 1 4 . 1 1 18 18 ALA CB C 18 18.347 18.347 18.456 -0.109 19883 228 1 4 . 1 1 18 18 ALA H H 18 8.147 8.147 7.608 0.539 19883 229 1 4 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.112 -0.064 19883 230 1 4 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.059 0.307 19883 231 1 4 . 1 1 19 19 GLU CB C 19 29.668 29.668 29.795 -0.127 19883 232 1 4 . 1 1 19 19 GLU H H 19 7.911 7.911 7.990 -0.079 19883 233 1 4 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.314 -0.035 19883 234 1 4 . 1 1 20 20 HIS CA C 20 57.953 57.953 58.316 -0.363 19883 235 1 4 . 1 1 20 20 HIS CB C 20 28.968 28.968 30.298 -1.330 19883 236 1 4 . 1 1 20 20 HIS H H 20 7.811 7.811 7.478 0.333 19883 237 1 5 . 1 1 2 2 LEU HA H 2 4.035 4.035 4.706 -0.671 19883 238 1 5 . 1 1 2 2 LEU CA C 2 57.741 57.741 55.277 2.464 19883 239 1 5 . 1 1 2 2 LEU CB C 2 42.554 42.554 42.305 0.249 19883 240 1 5 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.216 0.173 19883 241 1 5 . 1 1 3 3 PHE CA C 3 60.216 60.216 60.035 0.181 19883 242 1 5 . 1 1 3 3 PHE CB C 3 38.250 38.250 38.369 -0.119 19883 243 1 5 . 1 1 3 3 PHE H H 3 8.090 8.090 8.567 -0.477 19883 244 1 5 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.618 1.175 19883 245 1 5 . 1 1 4 4 GLY H H 4 8.070 8.070 7.924 0.146 19883 246 1 5 . 1 1 5 5 VAL HA H 5 3.804 3.804 4.056 -0.252 19883 247 1 5 . 1 1 5 5 VAL CA C 5 65.716 65.716 64.196 1.520 19883 248 1 5 . 1 1 5 5 VAL CB C 5 32.059 32.059 31.871 0.188 19883 249 1 5 . 1 1 5 5 VAL H H 5 7.761 7.761 7.641 0.120 19883 250 1 5 . 1 1 6 6 LEU HA H 6 4.053 4.053 3.983 0.070 19883 251 1 5 . 1 1 6 6 LEU CA C 6 54.653 54.653 57.847 -3.194 19883 252 1 5 . 1 1 6 6 LEU CB C 6 41.244 41.244 41.767 -0.523 19883 253 1 5 . 1 1 6 6 LEU H H 6 7.942 7.942 8.660 -0.718 19883 254 1 5 . 1 1 7 7 ALA HA H 7 4.102 4.102 4.063 0.039 19883 255 1 5 . 1 1 7 7 ALA CA C 7 54.298 54.298 54.789 -0.491 19883 256 1 5 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.130 0.283 19883 257 1 5 . 1 1 7 7 ALA H H 7 7.830 7.830 7.989 -0.159 19883 258 1 5 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.107 0.075 19883 259 1 5 . 1 1 8 8 LYS CA C 8 57.923 57.923 58.805 -0.882 19883 260 1 5 . 1 1 8 8 LYS CB C 8 32.826 32.826 32.174 0.652 19883 261 1 5 . 1 1 8 8 LYS H H 8 7.600 7.600 7.644 -0.044 19883 262 1 5 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.763 0.228 19883 263 1 5 . 1 1 9 9 VAL CA C 9 64.403 64.403 65.360 -0.957 19883 264 1 5 . 1 1 9 9 VAL CB C 9 32.244 32.244 31.366 0.878 19883 265 1 5 . 1 1 9 9 VAL H H 9 7.620 7.620 7.394 0.226 19883 266 1 5 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.213 0.007 19883 267 1 5 . 1 1 10 10 ALA CA C 10 53.200 53.200 53.847 -0.647 19883 268 1 5 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.373 0.619 19883 269 1 5 . 1 1 10 10 ALA H H 10 8.085 8.085 7.680 0.405 19883 270 1 5 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.224 0.035 19883 271 1 5 . 1 1 11 11 ALA CA C 11 54.466 54.466 52.549 1.917 19883 272 1 5 . 1 1 11 11 ALA CB C 11 19.532 19.532 19.178 0.354 19883 273 1 5 . 1 1 11 11 ALA H H 11 7.386 7.386 7.746 -0.360 19883 274 1 5 . 1 1 15 15 GLY CA C 15 46.582 46.582 46.732 -0.150 19883 275 1 5 . 1 1 15 15 GLY H H 15 8.506 8.506 8.452 0.054 19883 276 1 5 . 1 1 16 16 ALA HA H 16 4.266 4.266 4.068 0.198 19883 277 1 5 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.805 -0.337 19883 278 1 5 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.516 0.548 19883 279 1 5 . 1 1 16 16 ALA H H 16 7.936 7.936 8.204 -0.268 19883 280 1 5 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.828 -0.006 19883 281 1 5 . 1 1 17 17 ILE CA C 17 64.801 64.801 64.462 0.339 19883 282 1 5 . 1 1 17 17 ILE CB C 17 37.562 37.562 37.811 -0.249 19883 283 1 5 . 1 1 17 17 ILE H H 17 7.934 7.934 7.615 0.319 19883 284 1 5 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.173 -0.084 19883 285 1 5 . 1 1 18 18 ALA CA C 18 55.146 55.146 54.921 0.225 19883 286 1 5 . 1 1 18 18 ALA CB C 18 18.347 18.347 18.208 0.139 19883 287 1 5 . 1 1 18 18 ALA H H 18 8.147 8.147 7.912 0.235 19883 288 1 5 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.090 -0.042 19883 289 1 5 . 1 1 19 19 GLU CA C 19 58.366 58.366 57.947 0.419 19883 290 1 5 . 1 1 19 19 GLU CB C 19 29.668 29.668 29.985 -0.317 19883 291 1 5 . 1 1 19 19 GLU H H 19 7.911 7.911 8.019 -0.108 19883 292 1 5 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.515 -0.236 19883 293 1 5 . 1 1 20 20 HIS CA C 20 57.953 57.953 57.062 0.891 19883 294 1 5 . 1 1 20 20 HIS CB C 20 28.968 28.968 30.980 -2.012 19883 295 1 5 . 1 1 20 20 HIS H H 20 7.811 7.811 7.660 0.151 19883 296 1 6 . 1 1 2 2 LEU HA H 2 4.035 4.035 4.668 -0.633 19883 297 1 6 . 1 1 2 2 LEU CA C 2 57.741 57.741 54.881 2.860 19883 298 1 6 . 1 1 2 2 LEU CB C 2 42.554 42.554 42.121 0.433 19883 299 1 6 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.214 0.175 19883 300 1 6 . 1 1 3 3 PHE CA C 3 60.216 60.216 59.943 0.273 19883 301 1 6 . 1 1 3 3 PHE CB C 3 38.250 38.250 38.365 -0.115 19883 302 1 6 . 1 1 3 3 PHE H H 3 8.090 8.090 8.552 -0.462 19883 303 1 6 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.432 1.361 19883 304 1 6 . 1 1 4 4 GLY H H 4 8.070 8.070 8.031 0.039 19883 305 1 6 . 1 1 5 5 VAL HA H 5 3.804 3.804 4.107 -0.303 19883 306 1 6 . 1 1 5 5 VAL CA C 5 65.716 65.716 64.599 1.117 19883 307 1 6 . 1 1 5 5 VAL CB C 5 32.059 32.059 32.117 -0.058 19883 308 1 6 . 1 1 5 5 VAL H H 5 7.761 7.761 7.628 0.133 19883 309 1 6 . 1 1 6 6 LEU HA H 6 4.053 4.053 4.051 0.002 19883 310 1 6 . 1 1 6 6 LEU CA C 6 54.653 54.653 57.516 -2.863 19883 311 1 6 . 1 1 6 6 LEU CB C 6 41.244 41.244 41.651 -0.407 19883 312 1 6 . 1 1 6 6 LEU H H 6 7.942 7.942 8.639 -0.697 19883 313 1 6 . 1 1 7 7 ALA HA H 7 4.102 4.102 4.048 0.054 19883 314 1 6 . 1 1 7 7 ALA CA C 7 54.298 54.298 54.660 -0.362 19883 315 1 6 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.182 0.230 19883 316 1 6 . 1 1 7 7 ALA H H 7 7.830 7.830 7.964 -0.134 19883 317 1 6 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.124 0.058 19883 318 1 6 . 1 1 8 8 LYS CA C 8 57.923 57.923 58.922 -1.000 19883 319 1 6 . 1 1 8 8 LYS CB C 8 32.826 32.826 32.456 0.370 19883 320 1 6 . 1 1 8 8 LYS H H 8 7.600 7.600 7.488 0.112 19883 321 1 6 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.819 0.172 19883 322 1 6 . 1 1 9 9 VAL CA C 9 64.403 64.403 65.135 -0.732 19883 323 1 6 . 1 1 9 9 VAL CB C 9 32.244 32.244 31.189 1.055 19883 324 1 6 . 1 1 9 9 VAL H H 9 7.620 7.620 7.360 0.260 19883 325 1 6 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.201 0.019 19883 326 1 6 . 1 1 10 10 ALA CA C 10 53.200 53.200 54.060 -0.860 19883 327 1 6 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.303 0.689 19883 328 1 6 . 1 1 10 10 ALA H H 10 8.085 8.085 7.598 0.487 19883 329 1 6 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.229 0.030 19883 330 1 6 . 1 1 11 11 ALA CA C 11 54.466 54.466 52.592 1.874 19883 331 1 6 . 1 1 11 11 ALA CB C 11 19.532 19.532 18.920 0.612 19883 332 1 6 . 1 1 11 11 ALA H H 11 7.386 7.386 7.828 -0.442 19883 333 1 6 . 1 1 15 15 GLY CA C 15 46.582 46.582 47.213 -0.631 19883 334 1 6 . 1 1 15 15 GLY H H 15 8.506 8.506 8.390 0.116 19883 335 1 6 . 1 1 16 16 ALA HA H 16 4.266 4.266 4.049 0.217 19883 336 1 6 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.308 0.160 19883 337 1 6 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.909 0.155 19883 338 1 6 . 1 1 16 16 ALA H H 16 7.936 7.936 8.228 -0.292 19883 339 1 6 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.705 0.117 19883 340 1 6 . 1 1 17 17 ILE CA C 17 64.801 64.801 64.332 0.469 19883 341 1 6 . 1 1 17 17 ILE CB C 17 37.562 37.562 37.700 -0.138 19883 342 1 6 . 1 1 17 17 ILE H H 17 7.934 7.934 8.036 -0.102 19883 343 1 6 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.222 -0.133 19883 344 1 6 . 1 1 18 18 ALA CA C 18 55.146 55.146 54.736 0.410 19883 345 1 6 . 1 1 18 18 ALA CB C 18 18.347 18.347 18.198 0.149 19883 346 1 6 . 1 1 18 18 ALA H H 18 8.147 8.147 7.655 0.492 19883 347 1 6 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.090 -0.042 19883 348 1 6 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.578 -0.212 19883 349 1 6 . 1 1 19 19 GLU CB C 19 29.668 29.668 29.890 -0.223 19883 350 1 6 . 1 1 19 19 GLU H H 19 7.911 7.911 8.170 -0.259 19883 351 1 6 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.501 -0.222 19883 352 1 6 . 1 1 20 20 HIS CA C 20 57.953 57.953 57.541 0.412 19883 353 1 6 . 1 1 20 20 HIS CB C 20 28.968 28.968 30.771 -1.803 19883 354 1 6 . 1 1 20 20 HIS H H 20 7.811 7.811 7.658 0.153 19883 355 1 7 . 1 1 2 2 LEU HA H 2 4.035 4.035 4.584 -0.549 19883 356 1 7 . 1 1 2 2 LEU CA C 2 57.741 57.741 55.004 2.737 19883 357 1 7 . 1 1 2 2 LEU CB C 2 42.554 42.554 42.190 0.364 19883 358 1 7 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.211 0.178 19883 359 1 7 . 1 1 3 3 PHE CA C 3 60.216 60.216 60.051 0.165 19883 360 1 7 . 1 1 3 3 PHE CB C 3 38.250 38.250 38.365 -0.115 19883 361 1 7 . 1 1 3 3 PHE H H 3 8.090 8.090 8.530 -0.440 19883 362 1 7 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.710 1.083 19883 363 1 7 . 1 1 4 4 GLY H H 4 8.070 8.070 7.945 0.125 19883 364 1 7 . 1 1 5 5 VAL HA H 5 3.804 3.804 4.120 -0.316 19883 365 1 7 . 1 1 5 5 VAL CA C 5 65.716 65.716 63.864 1.852 19883 366 1 7 . 1 1 5 5 VAL CB C 5 32.059 32.059 32.140 -0.081 19883 367 1 7 . 1 1 5 5 VAL H H 5 7.761 7.761 7.602 0.159 19883 368 1 7 . 1 1 6 6 LEU HA H 6 4.053 4.053 4.110 -0.057 19883 369 1 7 . 1 1 6 6 LEU CA C 6 54.653 54.653 57.105 -2.452 19883 370 1 7 . 1 1 6 6 LEU CB C 6 41.244 41.244 41.488 -0.244 19883 371 1 7 . 1 1 6 6 LEU H H 6 7.942 7.942 8.549 -0.607 19883 372 1 7 . 1 1 7 7 ALA HA H 7 4.102 4.102 3.943 0.159 19883 373 1 7 . 1 1 7 7 ALA CA C 7 54.298 54.298 55.047 -0.749 19883 374 1 7 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.147 0.265 19883 375 1 7 . 1 1 7 7 ALA H H 7 7.830 7.830 7.895 -0.065 19883 376 1 7 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.122 0.060 19883 377 1 7 . 1 1 8 8 LYS CA C 8 57.923 57.923 58.903 -0.980 19883 378 1 7 . 1 1 8 8 LYS CB C 8 32.826 32.826 32.244 0.582 19883 379 1 7 . 1 1 8 8 LYS H H 8 7.600 7.600 8.151 -0.551 19883 380 1 7 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.727 0.264 19883 381 1 7 . 1 1 9 9 VAL CA C 9 64.403 64.403 65.373 -0.970 19883 382 1 7 . 1 1 9 9 VAL CB C 9 32.244 32.244 31.523 0.722 19883 383 1 7 . 1 1 9 9 VAL H H 9 7.620 7.620 7.395 0.225 19883 384 1 7 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.136 0.084 19883 385 1 7 . 1 1 10 10 ALA CA C 10 53.200 53.200 54.175 -0.974 19883 386 1 7 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.405 0.587 19883 387 1 7 . 1 1 10 10 ALA H H 10 8.085 8.085 7.716 0.369 19883 388 1 7 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.313 -0.054 19883 389 1 7 . 1 1 11 11 ALA CA C 11 54.466 54.466 52.246 2.220 19883 390 1 7 . 1 1 11 11 ALA CB C 11 19.532 19.532 19.456 0.076 19883 391 1 7 . 1 1 11 11 ALA H H 11 7.386 7.386 7.745 -0.359 19883 392 1 7 . 1 1 15 15 GLY CA C 15 46.582 46.582 46.590 -0.008 19883 393 1 7 . 1 1 15 15 GLY H H 15 8.506 8.506 8.428 0.078 19883 394 1 7 . 1 1 16 16 ALA HA H 16 4.266 4.266 4.093 0.173 19883 395 1 7 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.717 -0.249 19883 396 1 7 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.644 0.420 19883 397 1 7 . 1 1 16 16 ALA H H 16 7.936 7.936 8.234 -0.298 19883 398 1 7 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.735 0.087 19883 399 1 7 . 1 1 17 17 ILE CA C 17 64.801 64.801 64.295 0.506 19883 400 1 7 . 1 1 17 17 ILE CB C 17 37.562 37.562 37.748 -0.186 19883 401 1 7 . 1 1 17 17 ILE H H 17 7.934 7.934 8.070 -0.136 19883 402 1 7 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.161 -0.072 19883 403 1 7 . 1 1 18 18 ALA CA C 18 55.146 55.146 55.005 0.141 19883 404 1 7 . 1 1 18 18 ALA CB C 18 18.347 18.347 18.180 0.167 19883 405 1 7 . 1 1 18 18 ALA H H 18 8.147 8.147 7.836 0.311 19883 406 1 7 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.133 -0.085 19883 407 1 7 . 1 1 19 19 GLU CA C 19 58.366 58.366 57.970 0.396 19883 408 1 7 . 1 1 19 19 GLU CB C 19 29.668 29.668 30.088 -0.420 19883 409 1 7 . 1 1 19 19 GLU H H 19 7.911 7.911 7.912 -0.001 19883 410 1 7 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.516 -0.237 19883 411 1 7 . 1 1 20 20 HIS CA C 20 57.953 57.953 57.251 0.702 19883 412 1 7 . 1 1 20 20 HIS CB C 20 28.968 28.968 31.205 -2.237 19883 413 1 7 . 1 1 20 20 HIS H H 20 7.811 7.811 7.782 0.029 19883 414 1 8 . 1 1 2 2 LEU HA H 2 4.035 4.035 4.638 -0.603 19883 415 1 8 . 1 1 2 2 LEU CA C 2 57.741 57.741 54.913 2.828 19883 416 1 8 . 1 1 2 2 LEU CB C 2 42.554 42.554 42.192 0.362 19883 417 1 8 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.210 0.179 19883 418 1 8 . 1 1 3 3 PHE CA C 3 60.216 60.216 59.979 0.237 19883 419 1 8 . 1 1 3 3 PHE CB C 3 38.250 38.250 38.375 -0.125 19883 420 1 8 . 1 1 3 3 PHE H H 3 8.090 8.090 8.515 -0.425 19883 421 1 8 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.674 1.119 19883 422 1 8 . 1 1 4 4 GLY H H 4 8.070 8.070 8.095 -0.025 19883 423 1 8 . 1 1 5 5 VAL HA H 5 3.804 3.804 4.126 -0.322 19883 424 1 8 . 1 1 5 5 VAL CA C 5 65.716 65.716 63.600 2.116 19883 425 1 8 . 1 1 5 5 VAL CB C 5 32.059 32.059 32.218 -0.160 19883 426 1 8 . 1 1 5 5 VAL H H 5 7.761 7.761 7.575 0.186 19883 427 1 8 . 1 1 6 6 LEU HA H 6 4.053 4.053 3.969 0.084 19883 428 1 8 . 1 1 6 6 LEU CA C 6 54.653 54.653 58.426 -3.773 19883 429 1 8 . 1 1 6 6 LEU CB C 6 41.244 41.244 41.801 -0.557 19883 430 1 8 . 1 1 6 6 LEU H H 6 7.942 7.942 8.605 -0.663 19883 431 1 8 . 1 1 7 7 ALA HA H 7 4.102 4.102 4.023 0.079 19883 432 1 8 . 1 1 7 7 ALA CA C 7 54.298 54.298 54.926 -0.628 19883 433 1 8 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.168 0.244 19883 434 1 8 . 1 1 7 7 ALA H H 7 7.830 7.830 8.125 -0.295 19883 435 1 8 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.146 0.036 19883 436 1 8 . 1 1 8 8 LYS CA C 8 57.923 57.923 58.578 -0.654 19883 437 1 8 . 1 1 8 8 LYS CB C 8 32.826 32.826 32.283 0.543 19883 438 1 8 . 1 1 8 8 LYS H H 8 7.600 7.600 7.567 0.033 19883 439 1 8 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.962 0.029 19883 440 1 8 . 1 1 9 9 VAL CA C 9 64.403 64.403 64.896 -0.493 19883 441 1 8 . 1 1 9 9 VAL CB C 9 32.244 32.244 32.109 0.135 19883 442 1 8 . 1 1 9 9 VAL H H 9 7.620 7.620 7.440 0.180 19883 443 1 8 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.079 0.141 19883 444 1 8 . 1 1 10 10 ALA CA C 10 53.200 53.200 54.073 -0.873 19883 445 1 8 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.577 0.415 19883 446 1 8 . 1 1 10 10 ALA H H 10 8.085 8.085 7.471 0.614 19883 447 1 8 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.242 0.017 19883 448 1 8 . 1 1 11 11 ALA CA C 11 54.466 54.466 52.905 1.561 19883 449 1 8 . 1 1 11 11 ALA CB C 11 19.532 19.532 19.007 0.525 19883 450 1 8 . 1 1 11 11 ALA H H 11 7.386 7.386 7.965 -0.579 19883 451 1 8 . 1 1 15 15 GLY CA C 15 46.582 46.582 45.635 0.947 19883 452 1 8 . 1 1 15 15 GLY H H 15 8.506 8.506 8.262 0.244 19883 453 1 8 . 1 1 16 16 ALA HA H 16 4.266 4.266 4.108 0.158 19883 454 1 8 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.619 -0.151 19883 455 1 8 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.657 0.407 19883 456 1 8 . 1 1 16 16 ALA H H 16 7.936 7.936 8.379 -0.443 19883 457 1 8 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.766 0.056 19883 458 1 8 . 1 1 17 17 ILE CA C 17 64.801 64.801 64.343 0.458 19883 459 1 8 . 1 1 17 17 ILE CB C 17 37.562 37.562 37.621 -0.059 19883 460 1 8 . 1 1 17 17 ILE H H 17 7.934 7.934 8.212 -0.278 19883 461 1 8 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.324 -0.235 19883 462 1 8 . 1 1 18 18 ALA CA C 18 55.146 55.146 54.476 0.670 19883 463 1 8 . 1 1 18 18 ALA CB C 18 18.347 18.347 18.550 -0.203 19883 464 1 8 . 1 1 18 18 ALA H H 18 8.147 8.147 7.637 0.510 19883 465 1 8 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.149 -0.101 19883 466 1 8 . 1 1 19 19 GLU CA C 19 58.366 58.366 57.675 0.691 19883 467 1 8 . 1 1 19 19 GLU CB C 19 29.668 29.668 29.830 -0.162 19883 468 1 8 . 1 1 19 19 GLU H H 19 7.911 7.911 8.130 -0.219 19883 469 1 8 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.386 -0.107 19883 470 1 8 . 1 1 20 20 HIS CA C 20 57.953 57.953 58.188 -0.235 19883 471 1 8 . 1 1 20 20 HIS CB C 20 28.968 28.968 30.677 -1.709 19883 472 1 8 . 1 1 20 20 HIS H H 20 7.811 7.811 7.662 0.149 19883 473 1 9 . 1 1 2 2 LEU HA H 2 4.035 4.035 4.493 -0.458 19883 474 1 9 . 1 1 2 2 LEU CA C 2 57.741 57.741 55.645 2.096 19883 475 1 9 . 1 1 2 2 LEU CB C 2 42.554 42.554 42.272 0.282 19883 476 1 9 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.207 0.182 19883 477 1 9 . 1 1 3 3 PHE CA C 3 60.216 60.216 60.046 0.170 19883 478 1 9 . 1 1 3 3 PHE CB C 3 38.250 38.250 38.345 -0.095 19883 479 1 9 . 1 1 3 3 PHE H H 3 8.090 8.090 8.493 -0.403 19883 480 1 9 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.648 1.145 19883 481 1 9 . 1 1 4 4 GLY H H 4 8.070 8.070 7.743 0.327 19883 482 1 9 . 1 1 5 5 VAL HA H 5 3.804 3.804 4.046 -0.242 19883 483 1 9 . 1 1 5 5 VAL CA C 5 65.716 65.716 63.891 1.825 19883 484 1 9 . 1 1 5 5 VAL CB C 5 32.059 32.059 32.338 -0.279 19883 485 1 9 . 1 1 5 5 VAL H H 5 7.761 7.761 7.520 0.241 19883 486 1 9 . 1 1 6 6 LEU HA H 6 4.053 4.053 4.006 0.047 19883 487 1 9 . 1 1 6 6 LEU CA C 6 54.653 54.653 57.590 -2.938 19883 488 1 9 . 1 1 6 6 LEU CB C 6 41.244 41.244 41.844 -0.600 19883 489 1 9 . 1 1 6 6 LEU H H 6 7.942 7.942 8.611 -0.669 19883 490 1 9 . 1 1 7 7 ALA HA H 7 4.102 4.102 4.028 0.074 19883 491 1 9 . 1 1 7 7 ALA CA C 7 54.298 54.298 54.693 -0.395 19883 492 1 9 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.185 0.227 19883 493 1 9 . 1 1 7 7 ALA H H 7 7.830 7.830 7.944 -0.114 19883 494 1 9 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.223 -0.041 19883 495 1 9 . 1 1 8 8 LYS CA C 8 57.923 57.923 58.012 -0.089 19883 496 1 9 . 1 1 8 8 LYS CB C 8 32.826 32.826 32.618 0.208 19883 497 1 9 . 1 1 8 8 LYS H H 8 7.600 7.600 7.519 0.081 19883 498 1 9 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.733 0.258 19883 499 1 9 . 1 1 9 9 VAL CA C 9 64.403 64.403 65.735 -1.332 19883 500 1 9 . 1 1 9 9 VAL CB C 9 32.244 32.244 31.393 0.851 19883 501 1 9 . 1 1 9 9 VAL H H 9 7.620 7.620 7.681 -0.061 19883 502 1 9 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.062 0.158 19883 503 1 9 . 1 1 10 10 ALA CA C 10 53.200 53.200 53.856 -0.656 19883 504 1 9 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.347 0.645 19883 505 1 9 . 1 1 10 10 ALA H H 10 8.085 8.085 7.623 0.462 19883 506 1 9 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.254 0.005 19883 507 1 9 . 1 1 11 11 ALA CA C 11 54.466 54.466 52.818 1.648 19883 508 1 9 . 1 1 11 11 ALA CB C 11 19.532 19.532 19.361 0.171 19883 509 1 9 . 1 1 11 11 ALA H H 11 7.386 7.386 7.491 -0.105 19883 510 1 9 . 1 1 15 15 GLY CA C 15 46.582 46.582 45.461 1.121 19883 511 1 9 . 1 1 15 15 GLY H H 15 8.506 8.506 8.249 0.257 19883 512 1 9 . 1 1 16 16 ALA HA H 16 4.266 4.266 3.980 0.286 19883 513 1 9 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.300 0.168 19883 514 1 9 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.521 0.543 19883 515 1 9 . 1 1 16 16 ALA H H 16 7.936 7.936 8.320 -0.384 19883 516 1 9 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.828 -0.006 19883 517 1 9 . 1 1 17 17 ILE CA C 17 64.801 64.801 64.251 0.550 19883 518 1 9 . 1 1 17 17 ILE CB C 17 37.562 37.562 37.695 -0.133 19883 519 1 9 . 1 1 17 17 ILE H H 17 7.934 7.934 8.064 -0.130 19883 520 1 9 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.214 -0.125 19883 521 1 9 . 1 1 18 18 ALA CA C 18 55.146 55.146 54.716 0.430 19883 522 1 9 . 1 1 18 18 ALA CB C 18 18.347 18.347 18.083 0.264 19883 523 1 9 . 1 1 18 18 ALA H H 18 8.147 8.147 7.613 0.534 19883 524 1 9 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.157 -0.109 19883 525 1 9 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.286 0.080 19883 526 1 9 . 1 1 19 19 GLU CB C 19 29.668 29.668 29.715 -0.047 19883 527 1 9 . 1 1 19 19 GLU H H 19 7.911 7.911 7.705 0.206 19883 528 1 9 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.415 -0.136 19883 529 1 9 . 1 1 20 20 HIS CA C 20 57.953 57.953 57.257 0.696 19883 530 1 9 . 1 1 20 20 HIS CB C 20 28.968 28.968 30.046 -1.078 19883 531 1 9 . 1 1 20 20 HIS H H 20 7.811 7.811 7.452 0.359 19883 532 1 10 . 1 1 2 2 LEU HA H 2 4.035 4.035 4.608 -0.573 19883 533 1 10 . 1 1 2 2 LEU CA C 2 57.741 57.741 55.002 2.739 19883 534 1 10 . 1 1 2 2 LEU CB C 2 42.554 42.554 42.295 0.259 19883 535 1 10 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.209 0.180 19883 536 1 10 . 1 1 3 3 PHE CA C 3 60.216 60.216 59.958 0.258 19883 537 1 10 . 1 1 3 3 PHE CB C 3 38.250 38.250 38.369 -0.119 19883 538 1 10 . 1 1 3 3 PHE H H 3 8.090 8.090 8.527 -0.437 19883 539 1 10 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.579 1.214 19883 540 1 10 . 1 1 4 4 GLY H H 4 8.070 8.070 8.111 -0.041 19883 541 1 10 . 1 1 5 5 VAL HA H 5 3.804 3.804 4.124 -0.320 19883 542 1 10 . 1 1 5 5 VAL CA C 5 65.716 65.716 63.704 2.012 19883 543 1 10 . 1 1 5 5 VAL CB C 5 32.059 32.059 31.953 0.106 19883 544 1 10 . 1 1 5 5 VAL H H 5 7.761 7.761 7.600 0.161 19883 545 1 10 . 1 1 6 6 LEU HA H 6 4.053 4.053 4.023 0.030 19883 546 1 10 . 1 1 6 6 LEU CA C 6 54.653 54.653 57.503 -2.850 19883 547 1 10 . 1 1 6 6 LEU CB C 6 41.244 41.244 40.596 0.647 19883 548 1 10 . 1 1 6 6 LEU H H 6 7.942 7.942 8.723 -0.781 19883 549 1 10 . 1 1 7 7 ALA HA H 7 4.102 4.102 4.039 0.063 19883 550 1 10 . 1 1 7 7 ALA CA C 7 54.298 54.298 54.961 -0.663 19883 551 1 10 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.253 0.159 19883 552 1 10 . 1 1 7 7 ALA H H 7 7.830 7.830 8.079 -0.249 19883 553 1 10 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.132 0.050 19883 554 1 10 . 1 1 8 8 LYS CA C 8 57.923 57.923 58.663 -0.739 19883 555 1 10 . 1 1 8 8 LYS CB C 8 32.826 32.826 32.241 0.585 19883 556 1 10 . 1 1 8 8 LYS H H 8 7.600 7.600 7.955 -0.355 19883 557 1 10 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.884 0.107 19883 558 1 10 . 1 1 9 9 VAL CA C 9 64.403 64.403 65.242 -0.839 19883 559 1 10 . 1 1 9 9 VAL CB C 9 32.244 32.244 31.802 0.442 19883 560 1 10 . 1 1 9 9 VAL H H 9 7.620 7.620 7.441 0.179 19883 561 1 10 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.122 0.098 19883 562 1 10 . 1 1 10 10 ALA CA C 10 53.200 53.200 54.466 -1.266 19883 563 1 10 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.450 0.542 19883 564 1 10 . 1 1 10 10 ALA H H 10 8.085 8.085 7.672 0.413 19883 565 1 10 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.425 -0.166 19883 566 1 10 . 1 1 11 11 ALA CA C 11 54.466 54.466 52.108 2.357 19883 567 1 10 . 1 1 11 11 ALA CB C 11 19.532 19.532 19.330 0.202 19883 568 1 10 . 1 1 11 11 ALA H H 11 7.386 7.386 7.698 -0.312 19883 569 1 10 . 1 1 15 15 GLY CA C 15 46.582 46.582 46.255 0.327 19883 570 1 10 . 1 1 15 15 GLY H H 15 8.506 8.506 8.246 0.260 19883 571 1 10 . 1 1 16 16 ALA HA H 16 4.266 4.266 3.998 0.268 19883 572 1 10 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.629 -0.161 19883 573 1 10 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.743 0.321 19883 574 1 10 . 1 1 16 16 ALA H H 16 7.936 7.936 8.499 -0.563 19883 575 1 10 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.772 0.050 19883 576 1 10 . 1 1 17 17 ILE CA C 17 64.801 64.801 64.353 0.448 19883 577 1 10 . 1 1 17 17 ILE CB C 17 37.562 37.562 37.627 -0.065 19883 578 1 10 . 1 1 17 17 ILE H H 17 7.934 7.934 8.069 -0.135 19883 579 1 10 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.124 -0.035 19883 580 1 10 . 1 1 18 18 ALA CA C 18 55.146 55.146 55.013 0.133 19883 581 1 10 . 1 1 18 18 ALA CB C 18 18.347 18.347 18.340 0.007 19883 582 1 10 . 1 1 18 18 ALA H H 18 8.147 8.147 7.553 0.594 19883 583 1 10 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.144 -0.096 19883 584 1 10 . 1 1 19 19 GLU CA C 19 58.366 58.366 57.879 0.487 19883 585 1 10 . 1 1 19 19 GLU CB C 19 29.668 29.668 29.867 -0.199 19883 586 1 10 . 1 1 19 19 GLU H H 19 7.911 7.911 7.973 -0.062 19883 587 1 10 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.457 -0.178 19883 588 1 10 . 1 1 20 20 HIS CA C 20 57.953 57.953 57.303 0.650 19883 589 1 10 . 1 1 20 20 HIS CB C 20 28.968 28.968 30.781 -1.813 19883 590 1 10 . 1 1 20 20 HIS H H 20 7.811 7.811 7.492 0.319 19883 591 1 11 . 1 1 2 2 LEU HA H 2 4.035 4.035 4.577 -0.542 19883 592 1 11 . 1 1 2 2 LEU CA C 2 57.741 57.741 55.070 2.671 19883 593 1 11 . 1 1 2 2 LEU CB C 2 42.554 42.554 42.083 0.471 19883 594 1 11 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.222 0.167 19883 595 1 11 . 1 1 3 3 PHE CA C 3 60.216 60.216 60.187 0.029 19883 596 1 11 . 1 1 3 3 PHE CB C 3 38.250 38.250 38.347 -0.097 19883 597 1 11 . 1 1 3 3 PHE H H 3 8.090 8.090 8.594 -0.504 19883 598 1 11 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.778 1.015 19883 599 1 11 . 1 1 4 4 GLY H H 4 8.070 8.070 7.845 0.225 19883 600 1 11 . 1 1 5 5 VAL HA H 5 3.804 3.804 4.156 -0.352 19883 601 1 11 . 1 1 5 5 VAL CA C 5 65.716 65.716 64.630 1.086 19883 602 1 11 . 1 1 5 5 VAL CB C 5 32.059 32.059 32.074 -0.015 19883 603 1 11 . 1 1 5 5 VAL H H 5 7.761 7.761 7.571 0.190 19883 604 1 11 . 1 1 6 6 LEU HA H 6 4.053 4.053 4.078 -0.025 19883 605 1 11 . 1 1 6 6 LEU CA C 6 54.653 54.653 57.652 -2.999 19883 606 1 11 . 1 1 6 6 LEU CB C 6 41.244 41.244 40.696 0.548 19883 607 1 11 . 1 1 6 6 LEU H H 6 7.942 7.942 8.863 -0.921 19883 608 1 11 . 1 1 7 7 ALA HA H 7 4.102 4.102 3.887 0.215 19883 609 1 11 . 1 1 7 7 ALA CA C 7 54.298 54.298 55.443 -1.145 19883 610 1 11 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.051 0.361 19883 611 1 11 . 1 1 7 7 ALA H H 7 7.830 7.830 7.745 0.085 19883 612 1 11 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.111 0.071 19883 613 1 11 . 1 1 8 8 LYS CA C 8 57.923 57.923 58.847 -0.924 19883 614 1 11 . 1 1 8 8 LYS CB C 8 32.826 32.826 32.128 0.698 19883 615 1 11 . 1 1 8 8 LYS H H 8 7.600 7.600 8.076 -0.476 19883 616 1 11 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.881 0.110 19883 617 1 11 . 1 1 9 9 VAL CA C 9 64.403 64.403 65.305 -0.902 19883 618 1 11 . 1 1 9 9 VAL CB C 9 32.244 32.244 31.907 0.337 19883 619 1 11 . 1 1 9 9 VAL H H 9 7.620 7.620 7.525 0.095 19883 620 1 11 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.218 0.002 19883 621 1 11 . 1 1 10 10 ALA CA C 10 53.200 53.200 54.395 -1.196 19883 622 1 11 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.558 0.434 19883 623 1 11 . 1 1 10 10 ALA H H 10 8.085 8.085 8.135 -0.050 19883 624 1 11 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.443 -0.184 19883 625 1 11 . 1 1 11 11 ALA CA C 11 54.466 54.466 51.984 2.482 19883 626 1 11 . 1 1 11 11 ALA CB C 11 19.532 19.532 19.466 0.066 19883 627 1 11 . 1 1 11 11 ALA H H 11 7.386 7.386 7.604 -0.218 19883 628 1 11 . 1 1 15 15 GLY CA C 15 46.582 46.582 46.090 0.492 19883 629 1 11 . 1 1 15 15 GLY H H 15 8.506 8.506 8.161 0.345 19883 630 1 11 . 1 1 16 16 ALA HA H 16 4.266 4.266 3.943 0.323 19883 631 1 11 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.332 0.136 19883 632 1 11 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.424 0.640 19883 633 1 11 . 1 1 16 16 ALA H H 16 7.936 7.936 8.440 -0.504 19883 634 1 11 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.837 -0.015 19883 635 1 11 . 1 1 17 17 ILE CA C 17 64.801 64.801 64.542 0.259 19883 636 1 11 . 1 1 17 17 ILE CB C 17 37.562 37.562 37.563 -0.001 19883 637 1 11 . 1 1 17 17 ILE H H 17 7.934 7.934 8.005 -0.071 19883 638 1 11 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.266 -0.177 19883 639 1 11 . 1 1 18 18 ALA CA C 18 55.146 55.146 54.324 0.822 19883 640 1 11 . 1 1 18 18 ALA CB C 18 18.347 18.347 18.469 -0.122 19883 641 1 11 . 1 1 18 18 ALA H H 18 8.147 8.147 7.645 0.502 19883 642 1 11 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.108 -0.060 19883 643 1 11 . 1 1 19 19 GLU CA C 19 58.366 58.366 57.786 0.580 19883 644 1 11 . 1 1 19 19 GLU CB C 19 29.668 29.668 29.979 -0.311 19883 645 1 11 . 1 1 19 19 GLU H H 19 7.911 7.911 7.910 0.001 19883 646 1 11 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.456 -0.177 19883 647 1 11 . 1 1 20 20 HIS CA C 20 57.953 57.953 57.944 0.009 19883 648 1 11 . 1 1 20 20 HIS CB C 20 28.968 28.968 30.633 -1.665 19883 649 1 11 . 1 1 20 20 HIS H H 20 7.811 7.811 7.691 0.120 19883 650 1 12 . 1 1 2 2 LEU HA H 2 4.035 4.035 4.605 -0.570 19883 651 1 12 . 1 1 2 2 LEU CA C 2 57.741 57.741 55.028 2.713 19883 652 1 12 . 1 1 2 2 LEU CB C 2 42.554 42.554 42.288 0.266 19883 653 1 12 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.213 0.176 19883 654 1 12 . 1 1 3 3 PHE CA C 3 60.216 60.216 60.111 0.105 19883 655 1 12 . 1 1 3 3 PHE CB C 3 38.250 38.250 38.342 -0.092 19883 656 1 12 . 1 1 3 3 PHE H H 3 8.090 8.090 8.580 -0.490 19883 657 1 12 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.775 1.018 19883 658 1 12 . 1 1 4 4 GLY H H 4 8.070 8.070 8.097 -0.027 19883 659 1 12 . 1 1 5 5 VAL HA H 5 3.804 3.804 4.082 -0.278 19883 660 1 12 . 1 1 5 5 VAL CA C 5 65.716 65.716 64.073 1.643 19883 661 1 12 . 1 1 5 5 VAL CB C 5 32.059 32.059 31.956 0.103 19883 662 1 12 . 1 1 5 5 VAL H H 5 7.761 7.761 7.623 0.138 19883 663 1 12 . 1 1 6 6 LEU HA H 6 4.053 4.053 4.068 -0.015 19883 664 1 12 . 1 1 6 6 LEU CA C 6 54.653 54.653 57.663 -3.010 19883 665 1 12 . 1 1 6 6 LEU CB C 6 41.244 41.244 41.670 -0.426 19883 666 1 12 . 1 1 6 6 LEU H H 6 7.942 7.942 8.723 -0.781 19883 667 1 12 . 1 1 7 7 ALA HA H 7 4.102 4.102 3.997 0.105 19883 668 1 12 . 1 1 7 7 ALA CA C 7 54.298 54.298 54.978 -0.680 19883 669 1 12 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.126 0.286 19883 670 1 12 . 1 1 7 7 ALA H H 7 7.830 7.830 7.642 0.188 19883 671 1 12 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.092 0.090 19883 672 1 12 . 1 1 8 8 LYS CA C 8 57.923 57.923 59.092 -1.169 19883 673 1 12 . 1 1 8 8 LYS CB C 8 32.826 32.826 32.324 0.502 19883 674 1 12 . 1 1 8 8 LYS H H 8 7.600 7.600 7.716 -0.116 19883 675 1 12 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.753 0.238 19883 676 1 12 . 1 1 9 9 VAL CA C 9 64.403 64.403 65.768 -1.365 19883 677 1 12 . 1 1 9 9 VAL CB C 9 32.244 32.244 31.436 0.808 19883 678 1 12 . 1 1 9 9 VAL H H 9 7.620 7.620 7.582 0.038 19883 679 1 12 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.061 0.159 19883 680 1 12 . 1 1 10 10 ALA CA C 10 53.200 53.200 54.028 -0.828 19883 681 1 12 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.295 0.697 19883 682 1 12 . 1 1 10 10 ALA H H 10 8.085 8.085 7.482 0.603 19883 683 1 12 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.261 -0.002 19883 684 1 12 . 1 1 11 11 ALA CA C 11 54.466 54.466 52.799 1.667 19883 685 1 12 . 1 1 11 11 ALA CB C 11 19.532 19.532 19.270 0.262 19883 686 1 12 . 1 1 11 11 ALA H H 11 7.386 7.386 7.493 -0.107 19883 687 1 12 . 1 1 15 15 GLY CA C 15 46.582 46.582 45.268 1.314 19883 688 1 12 . 1 1 15 15 GLY H H 15 8.506 8.506 8.504 0.002 19883 689 1 12 . 1 1 16 16 ALA HA H 16 4.266 4.266 4.028 0.238 19883 690 1 12 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.727 -0.259 19883 691 1 12 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.860 0.204 19883 692 1 12 . 1 1 16 16 ALA H H 16 7.936 7.936 8.306 -0.370 19883 693 1 12 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.707 0.115 19883 694 1 12 . 1 1 17 17 ILE CA C 17 64.801 64.801 64.229 0.572 19883 695 1 12 . 1 1 17 17 ILE CB C 17 37.562 37.562 37.586 -0.024 19883 696 1 12 . 1 1 17 17 ILE H H 17 7.934 7.934 8.166 -0.232 19883 697 1 12 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.138 -0.049 19883 698 1 12 . 1 1 18 18 ALA CA C 18 55.146 55.146 55.018 0.128 19883 699 1 12 . 1 1 18 18 ALA CB C 18 18.347 18.347 18.091 0.256 19883 700 1 12 . 1 1 18 18 ALA H H 18 8.147 8.147 7.534 0.613 19883 701 1 12 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.156 -0.108 19883 702 1 12 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.454 -0.088 19883 703 1 12 . 1 1 19 19 GLU CB C 19 29.668 29.668 29.908 -0.240 19883 704 1 12 . 1 1 19 19 GLU H H 19 7.911 7.911 8.453 -0.542 19883 705 1 12 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.544 -0.265 19883 706 1 12 . 1 1 20 20 HIS CA C 20 57.953 57.953 56.605 1.348 19883 707 1 12 . 1 1 20 20 HIS CB C 20 28.968 28.968 30.877 -1.909 19883 708 1 12 . 1 1 20 20 HIS H H 20 7.811 7.811 7.680 0.131 19883 709 1 13 . 1 1 2 2 LEU HA H 2 4.035 4.035 4.583 -0.548 19883 710 1 13 . 1 1 2 2 LEU CA C 2 57.741 57.741 55.066 2.675 19883 711 1 13 . 1 1 2 2 LEU CB C 2 42.554 42.554 42.277 0.277 19883 712 1 13 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.216 0.173 19883 713 1 13 . 1 1 3 3 PHE CA C 3 60.216 60.216 60.099 0.117 19883 714 1 13 . 1 1 3 3 PHE CB C 3 38.250 38.250 38.354 -0.104 19883 715 1 13 . 1 1 3 3 PHE H H 3 8.090 8.090 8.549 -0.459 19883 716 1 13 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.875 0.918 19883 717 1 13 . 1 1 4 4 GLY H H 4 8.070 8.070 8.012 0.058 19883 718 1 13 . 1 1 5 5 VAL HA H 5 3.804 3.804 3.938 -0.134 19883 719 1 13 . 1 1 5 5 VAL CA C 5 65.716 65.716 64.750 0.966 19883 720 1 13 . 1 1 5 5 VAL CB C 5 32.059 32.059 32.241 -0.182 19883 721 1 13 . 1 1 5 5 VAL H H 5 7.761 7.761 7.674 0.087 19883 722 1 13 . 1 1 6 6 LEU HA H 6 4.053 4.053 4.297 -0.244 19883 723 1 13 . 1 1 6 6 LEU CA C 6 54.653 54.653 56.800 -2.147 19883 724 1 13 . 1 1 6 6 LEU CB C 6 41.244 41.244 42.490 -1.246 19883 725 1 13 . 1 1 6 6 LEU H H 6 7.942 7.942 8.264 -0.322 19883 726 1 13 . 1 1 7 7 ALA HA H 7 4.102 4.102 4.106 -0.004 19883 727 1 13 . 1 1 7 7 ALA CA C 7 54.298 54.298 54.850 -0.552 19883 728 1 13 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.465 -0.053 19883 729 1 13 . 1 1 7 7 ALA H H 7 7.830 7.830 7.664 0.166 19883 730 1 13 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.055 0.127 19883 731 1 13 . 1 1 8 8 LYS CA C 8 57.923 57.923 58.775 -0.852 19883 732 1 13 . 1 1 8 8 LYS CB C 8 32.826 32.826 31.607 1.219 19883 733 1 13 . 1 1 8 8 LYS H H 8 7.600 7.600 7.705 -0.105 19883 734 1 13 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.814 0.177 19883 735 1 13 . 1 1 9 9 VAL CA C 9 64.403 64.403 65.886 -1.483 19883 736 1 13 . 1 1 9 9 VAL CB C 9 32.244 32.244 31.476 0.768 19883 737 1 13 . 1 1 9 9 VAL H H 9 7.620 7.620 7.342 0.278 19883 738 1 13 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.055 0.165 19883 739 1 13 . 1 1 10 10 ALA CA C 10 53.200 53.200 54.262 -1.062 19883 740 1 13 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.209 0.783 19883 741 1 13 . 1 1 10 10 ALA H H 10 8.085 8.085 7.746 0.339 19883 742 1 13 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.274 -0.015 19883 743 1 13 . 1 1 11 11 ALA CA C 11 54.466 54.466 52.672 1.794 19883 744 1 13 . 1 1 11 11 ALA CB C 11 19.532 19.532 19.177 0.355 19883 745 1 13 . 1 1 11 11 ALA H H 11 7.386 7.386 7.485 -0.099 19883 746 1 13 . 1 1 15 15 GLY CA C 15 46.582 46.582 45.547 1.034 19883 747 1 13 . 1 1 15 15 GLY H H 15 8.506 8.506 8.529 -0.023 19883 748 1 13 . 1 1 16 16 ALA HA H 16 4.266 4.266 4.122 0.144 19883 749 1 13 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.552 -0.084 19883 750 1 13 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.526 0.538 19883 751 1 13 . 1 1 16 16 ALA H H 16 7.936 7.936 8.405 -0.469 19883 752 1 13 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.776 0.046 19883 753 1 13 . 1 1 17 17 ILE CA C 17 64.801 64.801 64.513 0.288 19883 754 1 13 . 1 1 17 17 ILE CB C 17 37.562 37.562 37.550 0.012 19883 755 1 13 . 1 1 17 17 ILE H H 17 7.934 7.934 7.966 -0.032 19883 756 1 13 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.121 -0.032 19883 757 1 13 . 1 1 18 18 ALA CA C 18 55.146 55.146 54.902 0.244 19883 758 1 13 . 1 1 18 18 ALA CB C 18 18.347 18.347 18.182 0.165 19883 759 1 13 . 1 1 18 18 ALA H H 18 8.147 8.147 7.593 0.554 19883 760 1 13 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.128 -0.080 19883 761 1 13 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.549 -0.183 19883 762 1 13 . 1 1 19 19 GLU CB C 19 29.668 29.668 29.938 -0.270 19883 763 1 13 . 1 1 19 19 GLU H H 19 7.911 7.911 8.142 -0.231 19883 764 1 13 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.583 -0.304 19883 765 1 13 . 1 1 20 20 HIS CA C 20 57.953 57.953 56.617 1.335 19883 766 1 13 . 1 1 20 20 HIS CB C 20 28.968 28.968 30.864 -1.896 19883 767 1 13 . 1 1 20 20 HIS H H 20 7.811 7.811 7.766 0.045 19883 768 1 14 . 1 1 2 2 LEU HA H 2 4.035 4.035 4.660 -0.625 19883 769 1 14 . 1 1 2 2 LEU CA C 2 57.741 57.741 53.501 4.240 19883 770 1 14 . 1 1 2 2 LEU CB C 2 42.554 42.554 41.682 0.872 19883 771 1 14 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.217 0.172 19883 772 1 14 . 1 1 3 3 PHE CA C 3 60.216 60.216 60.429 -0.213 19883 773 1 14 . 1 1 3 3 PHE CB C 3 38.250 38.250 38.267 -0.017 19883 774 1 14 . 1 1 3 3 PHE H H 3 8.090 8.090 8.642 -0.552 19883 775 1 14 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.585 1.208 19883 776 1 14 . 1 1 4 4 GLY H H 4 8.070 8.070 8.027 0.043 19883 777 1 14 . 1 1 5 5 VAL HA H 5 3.804 3.804 4.036 -0.232 19883 778 1 14 . 1 1 5 5 VAL CA C 5 65.716 65.716 64.466 1.250 19883 779 1 14 . 1 1 5 5 VAL CB C 5 32.059 32.059 32.180 -0.121 19883 780 1 14 . 1 1 5 5 VAL H H 5 7.761 7.761 7.662 0.099 19883 781 1 14 . 1 1 6 6 LEU HA H 6 4.053 4.053 4.018 0.035 19883 782 1 14 . 1 1 6 6 LEU CA C 6 54.653 54.653 58.051 -3.398 19883 783 1 14 . 1 1 6 6 LEU CB C 6 41.244 41.244 41.884 -0.640 19883 784 1 14 . 1 1 6 6 LEU H H 6 7.942 7.942 8.513 -0.571 19883 785 1 14 . 1 1 7 7 ALA HA H 7 4.102 4.102 4.009 0.093 19883 786 1 14 . 1 1 7 7 ALA CA C 7 54.298 54.298 55.049 -0.751 19883 787 1 14 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.138 0.274 19883 788 1 14 . 1 1 7 7 ALA H H 7 7.830 7.830 7.909 -0.079 19883 789 1 14 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.169 0.013 19883 790 1 14 . 1 1 8 8 LYS CA C 8 57.923 57.923 58.939 -1.016 19883 791 1 14 . 1 1 8 8 LYS CB C 8 32.826 32.826 32.355 0.471 19883 792 1 14 . 1 1 8 8 LYS H H 8 7.600 7.600 7.501 0.099 19883 793 1 14 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.772 0.219 19883 794 1 14 . 1 1 9 9 VAL CA C 9 64.403 64.403 65.286 -0.883 19883 795 1 14 . 1 1 9 9 VAL CB C 9 32.244 32.244 30.706 1.538 19883 796 1 14 . 1 1 9 9 VAL H H 9 7.620 7.620 7.496 0.124 19883 797 1 14 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.123 0.097 19883 798 1 14 . 1 1 10 10 ALA CA C 10 53.200 53.200 53.799 -0.599 19883 799 1 14 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.453 0.539 19883 800 1 14 . 1 1 10 10 ALA H H 10 8.085 8.085 7.408 0.677 19883 801 1 14 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.273 -0.014 19883 802 1 14 . 1 1 11 11 ALA CA C 11 54.466 54.466 52.612 1.854 19883 803 1 14 . 1 1 11 11 ALA CB C 11 19.532 19.532 19.195 0.337 19883 804 1 14 . 1 1 11 11 ALA H H 11 7.386 7.386 7.523 -0.137 19883 805 1 14 . 1 1 15 15 GLY CA C 15 46.582 46.582 45.429 1.153 19883 806 1 14 . 1 1 15 15 GLY H H 15 8.506 8.506 8.514 -0.008 19883 807 1 14 . 1 1 16 16 ALA HA H 16 4.266 4.266 4.006 0.260 19883 808 1 14 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.442 0.026 19883 809 1 14 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.830 0.234 19883 810 1 14 . 1 1 16 16 ALA H H 16 7.936 7.936 8.280 -0.344 19883 811 1 14 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.751 0.071 19883 812 1 14 . 1 1 17 17 ILE CA C 17 64.801 64.801 64.315 0.486 19883 813 1 14 . 1 1 17 17 ILE CB C 17 37.562 37.562 37.454 0.108 19883 814 1 14 . 1 1 17 17 ILE H H 17 7.934 7.934 8.116 -0.182 19883 815 1 14 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.201 -0.112 19883 816 1 14 . 1 1 18 18 ALA CA C 18 55.146 55.146 54.645 0.501 19883 817 1 14 . 1 1 18 18 ALA CB C 18 18.347 18.347 18.193 0.154 19883 818 1 14 . 1 1 18 18 ALA H H 18 8.147 8.147 7.480 0.667 19883 819 1 14 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.095 -0.047 19883 820 1 14 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.162 0.204 19883 821 1 14 . 1 1 19 19 GLU CB C 19 29.668 29.668 30.006 -0.338 19883 822 1 14 . 1 1 19 19 GLU H H 19 7.911 7.911 8.102 -0.191 19883 823 1 14 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.560 -0.281 19883 824 1 14 . 1 1 20 20 HIS CA C 20 57.953 57.953 57.991 -0.038 19883 825 1 14 . 1 1 20 20 HIS CB C 20 28.968 28.968 31.402 -2.434 19883 826 1 14 . 1 1 20 20 HIS H H 20 7.811 7.811 7.624 0.187 19883 827 1 15 . 1 1 2 2 LEU HA H 2 4.035 4.035 4.654 -0.619 19883 828 1 15 . 1 1 2 2 LEU CA C 2 57.741 57.741 55.311 2.430 19883 829 1 15 . 1 1 2 2 LEU CB C 2 42.554 42.554 42.481 0.073 19883 830 1 15 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.216 0.173 19883 831 1 15 . 1 1 3 3 PHE CA C 3 60.216 60.216 60.092 0.124 19883 832 1 15 . 1 1 3 3 PHE CB C 3 38.250 38.250 38.349 -0.099 19883 833 1 15 . 1 1 3 3 PHE H H 3 8.090 8.090 8.540 -0.450 19883 834 1 15 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.834 0.959 19883 835 1 15 . 1 1 4 4 GLY H H 4 8.070 8.070 8.139 -0.069 19883 836 1 15 . 1 1 5 5 VAL HA H 5 3.804 3.804 4.068 -0.264 19883 837 1 15 . 1 1 5 5 VAL CA C 5 65.716 65.716 63.206 2.510 19883 838 1 15 . 1 1 5 5 VAL CB C 5 32.059 32.059 31.787 0.272 19883 839 1 15 . 1 1 5 5 VAL H H 5 7.761 7.761 7.732 0.029 19883 840 1 15 . 1 1 6 6 LEU HA H 6 4.053 4.053 4.262 -0.209 19883 841 1 15 . 1 1 6 6 LEU CA C 6 54.653 54.653 57.071 -2.417 19883 842 1 15 . 1 1 6 6 LEU CB C 6 41.244 41.244 42.310 -1.066 19883 843 1 15 . 1 1 6 6 LEU H H 6 7.942 7.942 8.299 -0.357 19883 844 1 15 . 1 1 7 7 ALA HA H 7 4.102 4.102 4.157 -0.055 19883 845 1 15 . 1 1 7 7 ALA CA C 7 54.298 54.298 54.731 -0.433 19883 846 1 15 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.603 -0.191 19883 847 1 15 . 1 1 7 7 ALA H H 7 7.830 7.830 7.646 0.184 19883 848 1 15 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.076 0.106 19883 849 1 15 . 1 1 8 8 LYS CA C 8 57.923 57.923 58.896 -0.973 19883 850 1 15 . 1 1 8 8 LYS CB C 8 32.826 32.826 31.682 1.144 19883 851 1 15 . 1 1 8 8 LYS H H 8 7.600 7.600 7.657 -0.057 19883 852 1 15 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.820 0.171 19883 853 1 15 . 1 1 9 9 VAL CA C 9 64.403 64.403 65.161 -0.758 19883 854 1 15 . 1 1 9 9 VAL CB C 9 32.244 32.244 30.805 1.439 19883 855 1 15 . 1 1 9 9 VAL H H 9 7.620 7.620 7.381 0.239 19883 856 1 15 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.054 0.166 19883 857 1 15 . 1 1 10 10 ALA CA C 10 53.200 53.200 54.236 -1.036 19883 858 1 15 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.213 0.779 19883 859 1 15 . 1 1 10 10 ALA H H 10 8.085 8.085 7.593 0.492 19883 860 1 15 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.276 -0.017 19883 861 1 15 . 1 1 11 11 ALA CA C 11 54.466 54.466 52.703 1.763 19883 862 1 15 . 1 1 11 11 ALA CB C 11 19.532 19.532 19.169 0.363 19883 863 1 15 . 1 1 11 11 ALA H H 11 7.386 7.386 7.578 -0.192 19883 864 1 15 . 1 1 15 15 GLY CA C 15 46.582 46.582 46.553 0.029 19883 865 1 15 . 1 1 15 15 GLY H H 15 8.506 8.506 8.240 0.266 19883 866 1 15 . 1 1 16 16 ALA HA H 16 4.266 4.266 4.083 0.183 19883 867 1 15 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.289 0.179 19883 868 1 15 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.640 0.424 19883 869 1 15 . 1 1 16 16 ALA H H 16 7.936 7.936 8.486 -0.550 19883 870 1 15 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.789 0.033 19883 871 1 15 . 1 1 17 17 ILE CA C 17 64.801 64.801 64.225 0.576 19883 872 1 15 . 1 1 17 17 ILE CB C 17 37.562 37.562 37.539 0.023 19883 873 1 15 . 1 1 17 17 ILE H H 17 7.934 7.934 7.988 -0.054 19883 874 1 15 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.184 -0.095 19883 875 1 15 . 1 1 18 18 ALA CA C 18 55.146 55.146 54.978 0.168 19883 876 1 15 . 1 1 18 18 ALA CB C 18 18.347 18.347 17.940 0.407 19883 877 1 15 . 1 1 18 18 ALA H H 18 8.147 8.147 7.850 0.297 19883 878 1 15 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.165 -0.117 19883 879 1 15 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.159 0.207 19883 880 1 15 . 1 1 19 19 GLU CB C 19 29.668 29.668 29.729 -0.061 19883 881 1 15 . 1 1 19 19 GLU H H 19 7.911 7.911 7.906 0.005 19883 882 1 15 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.330 -0.051 19883 883 1 15 . 1 1 20 20 HIS CA C 20 57.953 57.953 57.885 0.068 19883 884 1 15 . 1 1 20 20 HIS CB C 20 28.968 28.968 30.688 -1.720 19883 885 1 15 . 1 1 20 20 HIS H H 20 7.811 7.811 7.790 0.021 19883 886 1 16 . 1 1 2 2 LEU HA H 2 4.035 4.035 4.588 -0.553 19883 887 1 16 . 1 1 2 2 LEU CA C 2 57.741 57.741 55.308 2.433 19883 888 1 16 . 1 1 2 2 LEU CB C 2 42.554 42.554 42.394 0.160 19883 889 1 16 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.208 0.181 19883 890 1 16 . 1 1 3 3 PHE CA C 3 60.216 60.216 60.125 0.091 19883 891 1 16 . 1 1 3 3 PHE CB C 3 38.250 38.250 38.341 -0.091 19883 892 1 16 . 1 1 3 3 PHE H H 3 8.090 8.090 8.547 -0.457 19883 893 1 16 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.867 0.926 19883 894 1 16 . 1 1 4 4 GLY H H 4 8.070 8.070 8.032 0.038 19883 895 1 16 . 1 1 5 5 VAL HA H 5 3.804 3.804 3.945 -0.141 19883 896 1 16 . 1 1 5 5 VAL CA C 5 65.716 65.716 64.792 0.924 19883 897 1 16 . 1 1 5 5 VAL CB C 5 32.059 32.059 32.245 -0.186 19883 898 1 16 . 1 1 5 5 VAL H H 5 7.761 7.761 7.647 0.114 19883 899 1 16 . 1 1 6 6 LEU HA H 6 4.053 4.053 4.237 -0.184 19883 900 1 16 . 1 1 6 6 LEU CA C 6 54.653 54.653 56.745 -2.092 19883 901 1 16 . 1 1 6 6 LEU CB C 6 41.244 41.244 42.240 -0.996 19883 902 1 16 . 1 1 6 6 LEU H H 6 7.942 7.942 8.382 -0.440 19883 903 1 16 . 1 1 7 7 ALA HA H 7 4.102 4.102 4.168 -0.066 19883 904 1 16 . 1 1 7 7 ALA CA C 7 54.298 54.298 54.744 -0.446 19883 905 1 16 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.593 -0.181 19883 906 1 16 . 1 1 7 7 ALA H H 7 7.830 7.830 7.600 0.230 19883 907 1 16 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.074 0.108 19883 908 1 16 . 1 1 8 8 LYS CA C 8 57.923 57.923 58.850 -0.927 19883 909 1 16 . 1 1 8 8 LYS CB C 8 32.826 32.826 31.666 1.159 19883 910 1 16 . 1 1 8 8 LYS H H 8 7.600 7.600 7.645 -0.045 19883 911 1 16 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.689 0.302 19883 912 1 16 . 1 1 9 9 VAL CA C 9 64.403 64.403 65.001 -0.598 19883 913 1 16 . 1 1 9 9 VAL CB C 9 32.244 32.244 30.749 1.495 19883 914 1 16 . 1 1 9 9 VAL H H 9 7.620 7.620 7.395 0.225 19883 915 1 16 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.249 -0.029 19883 916 1 16 . 1 1 10 10 ALA CA C 10 53.200 53.200 54.005 -0.805 19883 917 1 16 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.307 0.685 19883 918 1 16 . 1 1 10 10 ALA H H 10 8.085 8.085 7.725 0.360 19883 919 1 16 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.186 0.073 19883 920 1 16 . 1 1 11 11 ALA CA C 11 54.466 54.466 52.325 2.141 19883 921 1 16 . 1 1 11 11 ALA CB C 11 19.532 19.532 18.954 0.578 19883 922 1 16 . 1 1 11 11 ALA H H 11 7.386 7.386 7.725 -0.339 19883 923 1 16 . 1 1 15 15 GLY CA C 15 46.582 46.582 46.003 0.579 19883 924 1 16 . 1 1 15 15 GLY H H 15 8.506 8.506 8.421 0.085 19883 925 1 16 . 1 1 16 16 ALA HA H 16 4.266 4.266 4.081 0.185 19883 926 1 16 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.514 -0.046 19883 927 1 16 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.677 0.386 19883 928 1 16 . 1 1 16 16 ALA H H 16 7.936 7.936 8.299 -0.363 19883 929 1 16 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.398 0.424 19883 930 1 16 . 1 1 17 17 ILE CA C 17 64.801 64.801 63.771 1.030 19883 931 1 16 . 1 1 17 17 ILE CB C 17 37.562 37.562 37.565 -0.003 19883 932 1 16 . 1 1 17 17 ILE H H 17 7.934 7.934 8.035 -0.101 19883 933 1 16 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.251 -0.162 19883 934 1 16 . 1 1 18 18 ALA CA C 18 55.146 55.146 54.866 0.280 19883 935 1 16 . 1 1 18 18 ALA CB C 18 18.347 18.347 18.143 0.204 19883 936 1 16 . 1 1 18 18 ALA H H 18 8.147 8.147 7.535 0.612 19883 937 1 16 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.194 -0.146 19883 938 1 16 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.387 -0.021 19883 939 1 16 . 1 1 19 19 GLU CB C 19 29.668 29.668 29.759 -0.091 19883 940 1 16 . 1 1 19 19 GLU H H 19 7.911 7.911 7.999 -0.088 19883 941 1 16 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.372 -0.093 19883 942 1 16 . 1 1 20 20 HIS CA C 20 57.953 57.953 56.232 1.721 19883 943 1 16 . 1 1 20 20 HIS CB C 20 28.968 28.968 30.466 -1.498 19883 944 1 16 . 1 1 20 20 HIS H H 20 7.811 7.811 7.596 0.215 19883 945 1 17 . 1 1 2 2 LEU HA H 2 4.035 4.035 4.690 -0.655 19883 946 1 17 . 1 1 2 2 LEU CA C 2 57.741 57.741 55.311 2.430 19883 947 1 17 . 1 1 2 2 LEU CB C 2 42.554 42.554 42.457 0.097 19883 948 1 17 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.208 0.181 19883 949 1 17 . 1 1 3 3 PHE CA C 3 60.216 60.216 59.940 0.276 19883 950 1 17 . 1 1 3 3 PHE CB C 3 38.250 38.250 38.367 -0.117 19883 951 1 17 . 1 1 3 3 PHE H H 3 8.090 8.090 8.534 -0.444 19883 952 1 17 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.596 1.197 19883 953 1 17 . 1 1 4 4 GLY H H 4 8.070 8.070 8.108 -0.038 19883 954 1 17 . 1 1 5 5 VAL HA H 5 3.804 3.804 4.079 -0.275 19883 955 1 17 . 1 1 5 5 VAL CA C 5 65.716 65.716 64.544 1.172 19883 956 1 17 . 1 1 5 5 VAL CB C 5 32.059 32.059 32.038 0.021 19883 957 1 17 . 1 1 5 5 VAL H H 5 7.761 7.761 7.557 0.204 19883 958 1 17 . 1 1 6 6 LEU HA H 6 4.053 4.053 3.968 0.085 19883 959 1 17 . 1 1 6 6 LEU CA C 6 54.653 54.653 57.637 -2.984 19883 960 1 17 . 1 1 6 6 LEU CB C 6 41.244 41.244 40.766 0.478 19883 961 1 17 . 1 1 6 6 LEU H H 6 7.942 7.942 8.528 -0.586 19883 962 1 17 . 1 1 7 7 ALA HA H 7 4.102 4.102 4.009 0.093 19883 963 1 17 . 1 1 7 7 ALA CA C 7 54.298 54.298 54.871 -0.573 19883 964 1 17 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.300 0.112 19883 965 1 17 . 1 1 7 7 ALA H H 7 7.830 7.830 7.876 -0.046 19883 966 1 17 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.022 0.160 19883 967 1 17 . 1 1 8 8 LYS CA C 8 57.923 57.923 59.035 -1.113 19883 968 1 17 . 1 1 8 8 LYS CB C 8 32.826 32.826 32.235 0.591 19883 969 1 17 . 1 1 8 8 LYS H H 8 7.600 7.600 7.473 0.127 19883 970 1 17 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.568 0.423 19883 971 1 17 . 1 1 9 9 VAL CA C 9 64.403 64.403 64.647 -0.244 19883 972 1 17 . 1 1 9 9 VAL CB C 9 32.244 32.244 31.781 0.463 19883 973 1 17 . 1 1 9 9 VAL H H 9 7.620 7.620 7.421 0.199 19883 974 1 17 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.177 0.043 19883 975 1 17 . 1 1 10 10 ALA CA C 10 53.200 53.200 53.461 -0.261 19883 976 1 17 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.987 0.005 19883 977 1 17 . 1 1 10 10 ALA H H 10 8.085 8.085 7.502 0.583 19883 978 1 17 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.474 -0.215 19883 979 1 17 . 1 1 11 11 ALA CA C 11 54.466 54.466 51.763 2.703 19883 980 1 17 . 1 1 11 11 ALA CB C 11 19.532 19.532 19.506 0.026 19883 981 1 17 . 1 1 11 11 ALA H H 11 7.386 7.386 7.414 -0.028 19883 982 1 17 . 1 1 15 15 GLY CA C 15 46.582 46.582 45.696 0.886 19883 983 1 17 . 1 1 15 15 GLY H H 15 8.506 8.506 8.431 0.075 19883 984 1 17 . 1 1 16 16 ALA HA H 16 4.266 4.266 4.176 0.090 19883 985 1 17 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.579 -0.111 19883 986 1 17 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.698 0.366 19883 987 1 17 . 1 1 16 16 ALA H H 16 7.936 7.936 8.418 -0.482 19883 988 1 17 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.782 0.040 19883 989 1 17 . 1 1 17 17 ILE CA C 17 64.801 64.801 64.212 0.589 19883 990 1 17 . 1 1 17 17 ILE CB C 17 37.562 37.562 37.600 -0.038 19883 991 1 17 . 1 1 17 17 ILE H H 17 7.934 7.934 8.163 -0.229 19883 992 1 17 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.181 -0.092 19883 993 1 17 . 1 1 18 18 ALA CA C 18 55.146 55.146 54.937 0.209 19883 994 1 17 . 1 1 18 18 ALA CB C 18 18.347 18.347 18.195 0.152 19883 995 1 17 . 1 1 18 18 ALA H H 18 8.147 8.147 7.620 0.527 19883 996 1 17 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.051 -0.003 19883 997 1 17 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.637 -0.271 19883 998 1 17 . 1 1 19 19 GLU CB C 19 29.668 29.668 29.721 -0.053 19883 999 1 17 . 1 1 19 19 GLU H H 19 7.911 7.911 8.024 -0.113 19883 1000 1 17 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.350 -0.071 19883 1001 1 17 . 1 1 20 20 HIS CA C 20 57.953 57.953 58.214 -0.261 19883 1002 1 17 . 1 1 20 20 HIS CB C 20 28.968 28.968 30.464 -1.496 19883 1003 1 17 . 1 1 20 20 HIS H H 20 7.811 7.811 7.608 0.203 19883 1004 1 18 . 1 1 2 2 LEU HA H 2 4.035 4.035 4.494 -0.459 19883 1005 1 18 . 1 1 2 2 LEU CA C 2 57.741 57.741 55.488 2.253 19883 1006 1 18 . 1 1 2 2 LEU CB C 2 42.554 42.554 42.165 0.389 19883 1007 1 18 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.274 0.115 19883 1008 1 18 . 1 1 3 3 PHE CA C 3 60.216 60.216 58.861 1.355 19883 1009 1 18 . 1 1 3 3 PHE CB C 3 38.250 38.250 37.435 0.815 19883 1010 1 18 . 1 1 3 3 PHE H H 3 8.090 8.090 7.690 0.400 19883 1011 1 18 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.678 1.115 19883 1012 1 18 . 1 1 4 4 GLY H H 4 8.070 8.070 8.034 0.036 19883 1013 1 18 . 1 1 5 5 VAL HA H 5 3.804 3.804 3.954 -0.150 19883 1014 1 18 . 1 1 5 5 VAL CA C 5 65.716 65.716 64.544 1.171 19883 1015 1 18 . 1 1 5 5 VAL CB C 5 32.059 32.059 32.156 -0.097 19883 1016 1 18 . 1 1 5 5 VAL H H 5 7.761 7.761 7.711 0.050 19883 1017 1 18 . 1 1 6 6 LEU HA H 6 4.053 4.053 4.312 -0.259 19883 1018 1 18 . 1 1 6 6 LEU CA C 6 54.653 54.653 56.384 -1.731 19883 1019 1 18 . 1 1 6 6 LEU CB C 6 41.244 41.244 42.527 -1.283 19883 1020 1 18 . 1 1 6 6 LEU H H 6 7.942 7.942 8.180 -0.238 19883 1021 1 18 . 1 1 7 7 ALA HA H 7 4.102 4.102 4.296 -0.194 19883 1022 1 18 . 1 1 7 7 ALA CA C 7 54.298 54.298 54.484 -0.186 19883 1023 1 18 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.907 -0.495 19883 1024 1 18 . 1 1 7 7 ALA H H 7 7.830 7.830 7.746 0.084 19883 1025 1 18 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.108 0.074 19883 1026 1 18 . 1 1 8 8 LYS CA C 8 57.923 57.923 59.081 -1.158 19883 1027 1 18 . 1 1 8 8 LYS CB C 8 32.826 32.826 31.875 0.951 19883 1028 1 18 . 1 1 8 8 LYS H H 8 7.600 7.600 7.634 -0.034 19883 1029 1 18 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.822 0.169 19883 1030 1 18 . 1 1 9 9 VAL CA C 9 64.403 64.403 64.800 -0.397 19883 1031 1 18 . 1 1 9 9 VAL CB C 9 32.244 32.244 30.727 1.517 19883 1032 1 18 . 1 1 9 9 VAL H H 9 7.620 7.620 8.014 -0.394 19883 1033 1 18 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.243 -0.023 19883 1034 1 18 . 1 1 10 10 ALA CA C 10 53.200 53.200 53.458 -0.258 19883 1035 1 18 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.782 0.210 19883 1036 1 18 . 1 1 10 10 ALA H H 10 8.085 8.085 7.744 0.341 19883 1037 1 18 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.394 -0.135 19883 1038 1 18 . 1 1 11 11 ALA CA C 11 54.466 54.466 52.237 2.229 19883 1039 1 18 . 1 1 11 11 ALA CB C 11 19.532 19.532 19.337 0.195 19883 1040 1 18 . 1 1 11 11 ALA H H 11 7.386 7.386 7.534 -0.148 19883 1041 1 18 . 1 1 15 15 GLY CA C 15 46.582 46.582 46.713 -0.131 19883 1042 1 18 . 1 1 15 15 GLY H H 15 8.506 8.506 8.499 0.007 19883 1043 1 18 . 1 1 16 16 ALA HA H 16 4.266 4.266 4.099 0.167 19883 1044 1 18 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.895 -0.427 19883 1045 1 18 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.709 0.355 19883 1046 1 18 . 1 1 16 16 ALA H H 16 7.936 7.936 8.201 -0.265 19883 1047 1 18 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.593 0.229 19883 1048 1 18 . 1 1 17 17 ILE CA C 17 64.801 64.801 64.207 0.594 19883 1049 1 18 . 1 1 17 17 ILE CB C 17 37.562 37.562 37.628 -0.066 19883 1050 1 18 . 1 1 17 17 ILE H H 17 7.934 7.934 7.909 0.025 19883 1051 1 18 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.134 -0.045 19883 1052 1 18 . 1 1 18 18 ALA CA C 18 55.146 55.146 55.003 0.143 19883 1053 1 18 . 1 1 18 18 ALA CB C 18 18.347 18.347 18.194 0.153 19883 1054 1 18 . 1 1 18 18 ALA H H 18 8.147 8.147 7.849 0.298 19883 1055 1 18 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.147 -0.099 19883 1056 1 18 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.112 0.254 19883 1057 1 18 . 1 1 19 19 GLU CB C 19 29.668 29.668 30.069 -0.401 19883 1058 1 18 . 1 1 19 19 GLU H H 19 7.911 7.911 8.112 -0.201 19883 1059 1 18 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.528 -0.249 19883 1060 1 18 . 1 1 20 20 HIS CA C 20 57.953 57.953 56.990 0.963 19883 1061 1 18 . 1 1 20 20 HIS CB C 20 28.968 28.968 31.477 -2.509 19883 1062 1 18 . 1 1 20 20 HIS H H 20 7.811 7.811 7.929 -0.118 19883 1063 1 19 . 1 1 2 2 LEU HA H 2 4.035 4.035 4.573 -0.538 19883 1064 1 19 . 1 1 2 2 LEU CA C 2 57.741 57.741 55.474 2.267 19883 1065 1 19 . 1 1 2 2 LEU CB C 2 42.554 42.554 42.132 0.422 19883 1066 1 19 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.282 0.107 19883 1067 1 19 . 1 1 3 3 PHE CA C 3 60.216 60.216 58.808 1.408 19883 1068 1 19 . 1 1 3 3 PHE CB C 3 38.250 38.250 37.483 0.768 19883 1069 1 19 . 1 1 3 3 PHE H H 3 8.090 8.090 7.713 0.377 19883 1070 1 19 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.551 1.242 19883 1071 1 19 . 1 1 4 4 GLY H H 4 8.070 8.070 8.016 0.054 19883 1072 1 19 . 1 1 5 5 VAL HA H 5 3.804 3.804 3.889 -0.085 19883 1073 1 19 . 1 1 5 5 VAL CA C 5 65.716 65.716 65.517 0.199 19883 1074 1 19 . 1 1 5 5 VAL CB C 5 32.059 32.059 32.188 -0.129 19883 1075 1 19 . 1 1 5 5 VAL H H 5 7.761 7.761 7.645 0.116 19883 1076 1 19 . 1 1 6 6 LEU HA H 6 4.053 4.053 4.136 -0.083 19883 1077 1 19 . 1 1 6 6 LEU CA C 6 54.653 54.653 57.015 -2.362 19883 1078 1 19 . 1 1 6 6 LEU CB C 6 41.244 41.244 40.993 0.251 19883 1079 1 19 . 1 1 6 6 LEU H H 6 7.942 7.942 8.167 -0.225 19883 1080 1 19 . 1 1 7 7 ALA HA H 7 4.102 4.102 4.124 -0.022 19883 1081 1 19 . 1 1 7 7 ALA CA C 7 54.298 54.298 54.884 -0.586 19883 1082 1 19 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.400 0.012 19883 1083 1 19 . 1 1 7 7 ALA H H 7 7.830 7.830 7.726 0.104 19883 1084 1 19 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.113 0.069 19883 1085 1 19 . 1 1 8 8 LYS CA C 8 57.923 57.923 58.877 -0.954 19883 1086 1 19 . 1 1 8 8 LYS CB C 8 32.826 32.826 32.307 0.519 19883 1087 1 19 . 1 1 8 8 LYS H H 8 7.600 7.600 7.634 -0.034 19883 1088 1 19 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.814 0.176 19883 1089 1 19 . 1 1 9 9 VAL CA C 9 64.403 64.403 65.579 -1.176 19883 1090 1 19 . 1 1 9 9 VAL CB C 9 32.244 32.244 31.472 0.772 19883 1091 1 19 . 1 1 9 9 VAL H H 9 7.620 7.620 7.541 0.079 19883 1092 1 19 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.251 -0.031 19883 1093 1 19 . 1 1 10 10 ALA CA C 10 53.200 53.200 54.203 -1.002 19883 1094 1 19 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.626 0.366 19883 1095 1 19 . 1 1 10 10 ALA H H 10 8.085 8.085 7.659 0.426 19883 1096 1 19 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.413 -0.154 19883 1097 1 19 . 1 1 11 11 ALA CA C 11 54.466 54.466 52.374 2.092 19883 1098 1 19 . 1 1 11 11 ALA CB C 11 19.532 19.532 18.955 0.577 19883 1099 1 19 . 1 1 11 11 ALA H H 11 7.386 7.386 7.461 -0.075 19883 1100 1 19 . 1 1 15 15 GLY CA C 15 46.582 46.582 46.051 0.531 19883 1101 1 19 . 1 1 15 15 GLY H H 15 8.506 8.506 8.302 0.204 19883 1102 1 19 . 1 1 16 16 ALA HA H 16 4.266 4.266 4.094 0.172 19883 1103 1 19 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.853 -0.385 19883 1104 1 19 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.474 0.590 19883 1105 1 19 . 1 1 16 16 ALA H H 16 7.936 7.936 8.451 -0.515 19883 1106 1 19 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.874 -0.052 19883 1107 1 19 . 1 1 17 17 ILE CA C 17 64.801 64.801 64.353 0.448 19883 1108 1 19 . 1 1 17 17 ILE CB C 17 37.562 37.562 37.605 -0.043 19883 1109 1 19 . 1 1 17 17 ILE H H 17 7.934 7.934 7.939 -0.005 19883 1110 1 19 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.187 -0.098 19883 1111 1 19 . 1 1 18 18 ALA CA C 18 55.146 55.146 54.941 0.205 19883 1112 1 19 . 1 1 18 18 ALA CB C 18 18.347 18.347 18.331 0.016 19883 1113 1 19 . 1 1 18 18 ALA H H 18 8.147 8.147 7.746 0.401 19883 1114 1 19 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.189 -0.141 19883 1115 1 19 . 1 1 19 19 GLU CA C 19 58.366 58.366 57.450 0.916 19883 1116 1 19 . 1 1 19 19 GLU CB C 19 29.668 29.668 29.805 -0.137 19883 1117 1 19 . 1 1 19 19 GLU H H 19 7.911 7.911 8.015 -0.104 19883 1118 1 19 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.360 -0.081 19883 1119 1 19 . 1 1 20 20 HIS CA C 20 57.953 57.953 58.038 -0.085 19883 1120 1 19 . 1 1 20 20 HIS CB C 20 28.968 28.968 30.922 -1.954 19883 1121 1 19 . 1 1 20 20 HIS H H 20 7.811 7.811 7.714 0.097 19883 1122 1 20 . 1 1 2 2 LEU HA H 2 4.035 4.035 4.706 -0.671 19883 1123 1 20 . 1 1 2 2 LEU CA C 2 57.741 57.741 55.309 2.432 19883 1124 1 20 . 1 1 2 2 LEU CB C 2 42.554 42.554 42.473 0.081 19883 1125 1 20 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.218 0.171 19883 1126 1 20 . 1 1 3 3 PHE CA C 3 60.216 60.216 59.924 0.292 19883 1127 1 20 . 1 1 3 3 PHE CB C 3 38.250 38.250 38.382 -0.132 19883 1128 1 20 . 1 1 3 3 PHE H H 3 8.090 8.090 8.543 -0.453 19883 1129 1 20 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.521 1.272 19883 1130 1 20 . 1 1 4 4 GLY H H 4 8.070 8.070 8.114 -0.044 19883 1131 1 20 . 1 1 5 5 VAL HA H 5 3.804 3.804 3.918 -0.114 19883 1132 1 20 . 1 1 5 5 VAL CA C 5 65.716 65.716 64.611 1.105 19883 1133 1 20 . 1 1 5 5 VAL CB C 5 32.059 32.059 32.204 -0.145 19883 1134 1 20 . 1 1 5 5 VAL H H 5 7.761 7.761 7.584 0.177 19883 1135 1 20 . 1 1 6 6 LEU HA H 6 4.053 4.053 4.006 0.047 19883 1136 1 20 . 1 1 6 6 LEU CA C 6 54.653 54.653 57.597 -2.944 19883 1137 1 20 . 1 1 6 6 LEU CB C 6 41.244 41.244 41.729 -0.485 19883 1138 1 20 . 1 1 6 6 LEU H H 6 7.942 7.942 8.623 -0.681 19883 1139 1 20 . 1 1 7 7 ALA HA H 7 4.102 4.102 4.131 -0.029 19883 1140 1 20 . 1 1 7 7 ALA CA C 7 54.298 54.298 54.531 -0.232 19883 1141 1 20 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.275 0.137 19883 1142 1 20 . 1 1 7 7 ALA H H 7 7.830 7.830 8.063 -0.233 19883 1143 1 20 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.170 0.012 19883 1144 1 20 . 1 1 8 8 LYS CA C 8 57.923 57.923 58.605 -0.681 19883 1145 1 20 . 1 1 8 8 LYS CB C 8 32.826 32.826 32.321 0.505 19883 1146 1 20 . 1 1 8 8 LYS H H 8 7.600 7.600 7.540 0.060 19883 1147 1 20 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.861 0.130 19883 1148 1 20 . 1 1 9 9 VAL CA C 9 64.403 64.403 65.190 -0.787 19883 1149 1 20 . 1 1 9 9 VAL CB C 9 32.244 32.244 30.772 1.472 19883 1150 1 20 . 1 1 9 9 VAL H H 9 7.620 7.620 7.619 0.001 19883 1151 1 20 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.123 0.097 19883 1152 1 20 . 1 1 10 10 ALA CA C 10 53.200 53.200 54.167 -0.967 19883 1153 1 20 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.030 0.962 19883 1154 1 20 . 1 1 10 10 ALA H H 10 8.085 8.085 7.789 0.296 19883 1155 1 20 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.222 0.037 19883 1156 1 20 . 1 1 11 11 ALA CA C 11 54.466 54.466 52.819 1.647 19883 1157 1 20 . 1 1 11 11 ALA CB C 11 19.532 19.532 19.336 0.196 19883 1158 1 20 . 1 1 11 11 ALA H H 11 7.386 7.386 7.724 -0.338 19883 1159 1 20 . 1 1 15 15 GLY CA C 15 46.582 46.582 45.027 1.555 19883 1160 1 20 . 1 1 15 15 GLY H H 15 8.506 8.506 8.450 0.056 19883 1161 1 20 . 1 1 16 16 ALA HA H 16 4.266 4.266 3.898 0.368 19883 1162 1 20 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.216 0.252 19883 1163 1 20 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.724 0.340 19883 1164 1 20 . 1 1 16 16 ALA H H 16 7.936 7.936 8.218 -0.282 19883 1165 1 20 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.684 0.138 19883 1166 1 20 . 1 1 17 17 ILE CA C 17 64.801 64.801 63.517 1.284 19883 1167 1 20 . 1 1 17 17 ILE CB C 17 37.562 37.562 36.674 0.888 19883 1168 1 20 . 1 1 17 17 ILE H H 17 7.934 7.934 8.120 -0.186 19883 1169 1 20 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.209 -0.120 19883 1170 1 20 . 1 1 18 18 ALA CA C 18 55.146 55.146 54.644 0.502 19883 1171 1 20 . 1 1 18 18 ALA CB C 18 18.347 18.347 18.445 -0.098 19883 1172 1 20 . 1 1 18 18 ALA H H 18 8.147 8.147 7.788 0.359 19883 1173 1 20 . 1 1 19 19 GLU HA H 19 4.048 4.048 3.985 0.063 19883 1174 1 20 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.171 0.195 19883 1175 1 20 . 1 1 19 19 GLU CB C 19 29.668 29.668 29.784 -0.116 19883 1176 1 20 . 1 1 19 19 GLU H H 19 7.911 7.911 7.805 0.106 19883 1177 1 20 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.346 -0.067 19883 1178 1 20 . 1 1 20 20 HIS CA C 20 57.953 57.953 57.612 0.341 19883 1179 1 20 . 1 1 20 20 HIS CB C 20 28.968 28.968 30.257 -1.289 19883 1180 1 20 . 1 1 20 20 HIS H H 20 7.811 7.811 7.452 0.359 19883 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 19883 2 1 1 "Average Difference" HA 18 0.190 0.009 0.195 19883 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19883 4 1 1 "Average Difference" CA 16 1.354 -0.103 1.395 19883 5 1 1 "Average Difference" CB 14 0.573 -0.086 0.588 19883 6 1 1 "Average Difference" HN 15 0.406 0.034 0.419 19883 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19883 8 1 2 "Average Difference" HA 18 0.173 0.005 0.178 19883 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19883 10 1 2 "Average Difference" CA 16 1.357 -0.120 1.396 19883 11 1 2 "Average Difference" CB 14 0.591 0.031 0.613 19883 12 1 2 "Average Difference" HN 15 0.332 0.035 0.342 19883 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19883 14 1 3 "Average Difference" HA 18 0.225 0.016 0.231 19883 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19883 16 1 3 "Average Difference" CA 16 1.566 -0.230 1.600 19883 17 1 3 "Average Difference" CB 14 0.398 0.003 0.413 19883 18 1 3 "Average Difference" HN 15 0.384 0.089 0.386 19883 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19883 20 1 4 "Average Difference" HA 18 0.208 0.017 0.214 19883 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19883 22 1 4 "Average Difference" CA 16 1.193 -0.153 1.222 19883 23 1 4 "Average Difference" CB 14 0.677 -0.017 0.702 19883 24 1 4 "Average Difference" HN 15 0.285 0.044 0.292 19883 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19883 26 1 5 "Average Difference" HA 18 0.228 -0.007 0.234 19883 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19883 28 1 5 "Average Difference" CA 16 1.306 -0.155 1.339 19883 29 1 5 "Average Difference" CB 14 0.692 -0.049 0.716 19883 30 1 5 "Average Difference" HN 15 0.307 0.032 0.316 19883 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19883 32 1 6 "Average Difference" HA 18 0.213 0.009 0.219 19883 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19883 34 1 6 "Average Difference" CA 16 1.287 -0.142 1.321 19883 35 1 6 "Average Difference" CB 14 0.648 -0.068 0.669 19883 36 1 6 "Average Difference" HN 15 0.336 0.040 0.345 19883 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19883 38 1 7 "Average Difference" HA 18 0.213 -0.013 0.219 19883 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19883 40 1 7 "Average Difference" CA 16 1.310 -0.214 1.335 19883 41 1 7 "Average Difference" CB 14 0.703 0.007 0.729 19883 42 1 7 "Average Difference" HN 15 0.310 0.077 0.310 19883 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19883 44 1 8 "Average Difference" HA 18 0.191 0.022 0.196 19883 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19883 46 1 8 "Average Difference" CA 16 1.466 -0.239 1.494 19883 47 1 8 "Average Difference" CB 14 0.564 0.025 0.585 19883 48 1 8 "Average Difference" HN 15 0.379 0.067 0.386 19883 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19883 50 1 9 "Average Difference" HA 18 0.174 0.003 0.179 19883 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19883 52 1 9 "Average Difference" CA 16 1.251 -0.283 1.259 19883 53 1 9 "Average Difference" CB 14 0.488 -0.069 0.502 19883 54 1 9 "Average Difference" HN 15 0.338 -0.040 0.347 19883 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19883 56 1 10 "Average Difference" HA 18 0.193 0.017 0.197 19883 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19883 58 1 10 "Average Difference" CA 16 1.394 -0.257 1.415 19883 59 1 10 "Average Difference" CB 14 0.588 -0.077 0.605 19883 60 1 10 "Average Difference" HN 15 0.381 0.067 0.388 19883 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 19883 62 1 11 "Average Difference" HA 18 0.202 0.026 0.207 19883 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19883 64 1 11 "Average Difference" CA 16 1.375 -0.151 1.411 19883 65 1 11 "Average Difference" CB 14 0.582 -0.096 0.596 19883 66 1 11 "Average Difference" HN 15 0.376 0.079 0.381 19883 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 19883 68 1 12 "Average Difference" HA 18 0.201 -0.009 0.207 19883 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19883 70 1 12 "Average Difference" CA 16 1.398 -0.194 1.430 19883 71 1 12 "Average Difference" CB 14 0.634 -0.049 0.656 19883 72 1 12 "Average Difference" HN 15 0.381 0.063 0.388 19883 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 19883 74 1 13 "Average Difference" HA 18 0.187 0.019 0.191 19883 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19883 76 1 13 "Average Difference" CA 16 1.229 -0.188 1.254 19883 77 1 13 "Average Difference" CB 14 0.778 -0.026 0.807 19883 78 1 13 "Average Difference" HN 15 0.277 0.014 0.286 19883 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 19883 80 1 14 "Average Difference" HA 18 0.204 0.005 0.210 19883 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19883 82 1 14 "Average Difference" CA 16 1.593 -0.252 1.625 19883 83 1 14 "Average Difference" CB 14 0.861 -0.070 0.891 19883 84 1 14 "Average Difference" HN 15 0.348 0.011 0.360 19883 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 19883 86 1 15 "Average Difference" HA 18 0.200 0.012 0.205 19883 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19883 88 1 15 "Average Difference" CA 16 1.258 -0.212 1.281 19883 89 1 15 "Average Difference" CB 14 0.788 -0.128 0.807 19883 90 1 15 "Average Difference" HN 15 0.280 0.013 0.289 19883 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 19883 92 1 16 "Average Difference" HA 18 0.214 -0.011 0.219 19883 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19883 94 1 16 "Average Difference" CA 16 1.202 -0.324 1.195 19883 95 1 16 "Average Difference" CB 14 0.752 -0.116 0.771 19883 96 1 16 "Average Difference" HN 15 0.299 -0.003 0.310 19883 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 19883 98 1 17 "Average Difference" HA 18 0.218 0.001 0.224 19883 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19883 100 1 17 "Average Difference" CA 16 1.323 -0.228 1.346 19883 101 1 17 "Average Difference" CB 14 0.480 -0.043 0.496 19883 102 1 17 "Average Difference" HN 15 0.327 0.003 0.339 19883 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 19883 104 1 18 "Average Difference" HA 18 0.204 0.011 0.209 19883 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19883 106 1 18 "Average Difference" CA 16 1.136 -0.362 1.112 19883 107 1 18 "Average Difference" CB 14 0.949 0.019 0.985 19883 108 1 18 "Average Difference" HN 15 0.222 0.010 0.229 19883 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 19883 110 1 19 "Average Difference" HA 18 0.161 0.032 0.162 19883 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19883 112 1 19 "Average Difference" CA 16 1.220 -0.172 1.247 19883 113 1 19 "Average Difference" CB 14 0.674 -0.145 0.684 19883 114 1 19 "Average Difference" HN 15 0.245 -0.060 0.246 19883 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 19883 116 1 20 "Average Difference" HA 18 0.201 -0.009 0.207 19883 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19883 118 1 20 "Average Difference" CA 16 1.295 -0.329 1.294 19883 119 1 20 "Average Difference" CB 14 0.669 -0.166 0.673 19883 120 1 20 "Average Difference" HN 15 0.300 0.053 0.305 19883 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 19883 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 LEU HA H 2 4.035 4.035 4.625 -0.591 19883 2 1 . 1 1 2 2 LEU CA C 2 57.741 57.741 55.126 2.615 19883 3 1 . 1 1 2 2 LEU CB C 2 42.554 42.554 42.237 0.317 19883 4 1 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.221 0.168 19883 5 1 . 1 1 3 3 PHE CA C 3 60.216 60.216 59.954 0.262 19883 6 1 . 1 1 3 3 PHE CB C 3 38.250 38.250 38.264 -0.014 19883 7 1 . 1 1 3 3 PHE H H 3 8.090 8.090 8.468 -0.378 19883 8 1 . 1 1 4 4 GLY CA C 4 46.793 46.793 45.689 1.104 19883 9 1 . 1 1 4 4 GLY H H 4 8.070 8.070 7.995 0.075 19883 10 1 . 1 1 5 5 VAL HA H 5 3.804 3.804 4.035 -0.231 19883 11 1 . 1 1 5 5 VAL CA C 5 65.716 65.716 64.285 1.431 19883 12 1 . 1 1 5 5 VAL CB C 5 32.059 32.059 32.093 -0.035 19883 13 1 . 1 1 5 5 VAL H H 5 7.761 7.761 7.627 0.134 19883 14 1 . 1 1 6 6 LEU HA H 6 4.053 4.053 4.088 -0.035 19883 15 1 . 1 1 6 6 LEU CA C 6 54.653 54.653 57.483 -2.830 19883 16 1 . 1 1 6 6 LEU CB C 6 41.244 41.244 41.722 -0.479 19883 17 1 . 1 1 6 6 LEU H H 6 7.942 7.942 8.537 -0.594 19883 18 1 . 1 1 7 7 ALA HA H 7 4.102 4.102 4.059 0.043 19883 19 1 . 1 1 7 7 ALA CA C 7 54.298 54.298 54.853 -0.555 19883 20 1 . 1 1 7 7 ALA CB C 7 18.412 18.412 18.302 0.110 19883 21 1 . 1 1 7 7 ALA H H 7 7.830 7.830 7.838 -0.008 19883 22 1 . 1 1 8 8 LYS HA H 8 4.182 4.182 4.113 0.069 19883 23 1 . 1 1 8 8 LYS CA C 8 57.923 57.923 58.830 -0.907 19883 24 1 . 1 1 8 8 LYS CB C 8 32.826 32.826 32.165 0.661 19883 25 1 . 1 1 8 8 LYS H H 8 7.600 7.600 7.695 -0.095 19883 26 1 . 1 1 9 9 VAL HA H 9 3.991 3.991 3.790 0.201 19883 27 1 . 1 1 9 9 VAL CA C 9 64.403 64.403 65.345 -0.942 19883 28 1 . 1 1 9 9 VAL CB C 9 32.244 32.244 31.353 0.891 19883 29 1 . 1 1 9 9 VAL H H 9 7.620 7.620 7.520 0.100 19883 30 1 . 1 1 10 10 ALA HA H 10 4.220 4.220 4.151 0.069 19883 31 1 . 1 1 10 10 ALA CA C 10 53.200 53.200 54.016 -0.816 19883 32 1 . 1 1 10 10 ALA CB C 10 18.992 18.992 18.478 0.514 19883 33 1 . 1 1 10 10 ALA H H 10 8.085 8.085 7.669 0.416 19883 34 1 . 1 1 11 11 ALA HA H 11 4.259 4.259 4.309 -0.050 19883 35 1 . 1 1 11 11 ALA CA C 11 54.466 54.466 52.435 2.031 19883 36 1 . 1 1 11 11 ALA CB C 11 19.532 19.532 19.264 0.268 19883 37 1 . 1 1 11 11 ALA H H 11 7.386 7.386 7.664 -0.278 19883 38 1 . 1 1 15 15 GLY CA C 15 46.582 46.582 45.960 0.622 19883 39 1 . 1 1 15 15 GLY H H 15 8.506 8.506 8.377 0.129 19883 40 1 . 1 1 16 16 ALA HA H 16 4.266 4.266 4.056 0.210 19883 41 1 . 1 1 16 16 ALA CA C 16 54.468 54.468 54.552 -0.084 19883 42 1 . 1 1 16 16 ALA CB C 16 19.064 19.064 18.658 0.406 19883 43 1 . 1 1 16 16 ALA H H 16 7.936 7.936 8.339 -0.403 19883 44 1 . 1 1 17 17 ILE HA H 17 3.822 3.822 3.751 0.071 19883 45 1 . 1 1 17 17 ILE CA C 17 64.801 64.801 64.258 0.543 19883 46 1 . 1 1 17 17 ILE CB C 17 37.562 37.562 37.584 -0.022 19883 47 1 . 1 1 17 17 ILE H H 17 7.934 7.934 8.046 -0.112 19883 48 1 . 1 1 18 18 ALA HA H 18 4.089 4.089 4.206 -0.117 19883 49 1 . 1 1 18 18 ALA CA C 18 55.146 55.146 54.805 0.341 19883 50 1 . 1 1 18 18 ALA CB C 18 18.347 18.347 18.253 0.094 19883 51 1 . 1 1 18 18 ALA H H 18 8.147 8.147 7.655 0.492 19883 52 1 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.127 -0.079 19883 53 1 . 1 1 19 19 GLU CA C 19 58.366 58.366 58.141 0.225 19883 54 1 . 1 1 19 19 GLU CB C 19 29.668 29.668 29.867 -0.199 19883 55 1 . 1 1 19 19 GLU H H 19 7.911 7.911 8.027 -0.116 19883 56 1 . 1 1 20 20 HIS HA H 20 4.279 4.279 4.430 -0.151 19883 57 1 . 1 1 20 20 HIS CA C 20 57.953 57.953 57.547 0.406 19883 58 1 . 1 1 20 20 HIS CB C 20 28.968 28.968 30.699 -1.731 19883 59 1 . 1 1 20 20 HIS H H 20 7.811 7.811 7.643 0.168 19883 stop_ save_