data_19828 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19828 _Entry.PDB_ID 2MLO 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 19828 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 LYS HA H 2 4.208 4.208 4.259 -0.051 19828 2 1 1 . 1 1 2 2 LYS CA C 2 57.604 57.604 56.689 0.915 19828 3 1 1 . 1 1 2 2 LYS CB C 2 32.800 32.800 32.230 0.570 19828 4 1 1 . 1 1 3 3 PHE N N 3 120.909 120.909 122.502 -1.593 19828 5 1 1 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.486 -0.070 19828 6 1 1 . 1 1 3 3 PHE CA C 3 60.640 60.640 59.223 1.417 19828 7 1 1 . 1 1 3 3 PHE CB C 3 38.442 38.442 39.142 -0.701 19828 8 1 1 . 1 1 3 3 PHE H H 3 8.980 8.980 8.370 0.610 19828 9 1 1 . 1 1 4 4 ARG N N 4 119.516 119.516 120.696 -1.180 19828 10 1 1 . 1 1 4 4 ARG HA H 4 3.864 3.864 3.630 0.234 19828 11 1 1 . 1 1 4 4 ARG CA C 4 59.263 59.263 58.381 0.882 19828 12 1 1 . 1 1 4 4 ARG CB C 4 29.457 29.457 28.805 0.652 19828 13 1 1 . 1 1 4 4 ARG H H 4 8.986 8.986 7.525 1.461 19828 14 1 1 . 1 1 5 5 ARG N N 5 119.466 119.466 119.224 0.242 19828 15 1 1 . 1 1 5 5 ARG HA H 5 4.125 4.125 3.970 0.155 19828 16 1 1 . 1 1 5 5 ARG CA C 5 58.426 58.426 58.461 -0.035 19828 17 1 1 . 1 1 5 5 ARG CB C 5 29.266 29.266 29.226 0.040 19828 18 1 1 . 1 1 5 5 ARG H H 5 7.997 7.997 7.665 0.332 19828 19 1 1 . 1 1 6 6 TYR N N 6 118.856 118.856 117.574 1.282 19828 20 1 1 . 1 1 6 6 TYR CB C 6 37.706 37.706 38.081 -0.375 19828 21 1 1 . 1 1 6 6 TYR H H 6 7.995 7.995 7.797 0.198 19828 22 1 1 . 1 1 7 7 LEU N N 7 117.830 117.830 119.265 -1.435 19828 23 1 1 . 1 1 7 7 LEU HA H 7 4.136 4.136 4.293 -0.157 19828 24 1 1 . 1 1 7 7 LEU CA C 7 57.261 57.261 57.254 0.007 19828 25 1 1 . 1 1 7 7 LEU CB C 7 41.612 41.612 40.881 0.731 19828 26 1 1 . 1 1 7 7 LEU H H 7 8.106 8.106 7.424 0.682 19828 27 1 1 . 1 1 8 8 SER N N 8 113.703 113.703 114.597 -0.894 19828 28 1 1 . 1 1 8 8 SER HA H 8 4.191 4.191 4.321 -0.130 19828 29 1 1 . 1 1 8 8 SER CA C 8 61.537 61.537 61.537 -0.000 19828 30 1 1 . 1 1 8 8 SER CB C 8 62.607 62.607 63.854 -1.247 19828 31 1 1 . 1 1 8 8 SER H H 8 8.090 8.090 7.781 0.309 19828 32 1 1 . 1 1 9 9 VAL N N 9 120.306 120.306 119.776 0.530 19828 33 1 1 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.793 -0.074 19828 34 1 1 . 1 1 9 9 VAL CA C 9 65.380 65.380 65.999 -0.619 19828 35 1 1 . 1 1 9 9 VAL CB C 9 31.412 31.412 31.383 0.029 19828 36 1 1 . 1 1 9 9 VAL H H 9 7.756 7.756 7.720 0.036 19828 37 1 1 . 1 1 10 10 PHE N N 10 119.347 119.347 121.476 -2.129 19828 38 1 1 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.325 -0.111 19828 39 1 1 . 1 1 10 10 PHE CA C 10 60.757 60.757 61.215 -0.458 19828 40 1 1 . 1 1 10 10 PHE CB C 10 39.205 39.205 39.067 0.138 19828 41 1 1 . 1 1 10 10 PHE H H 10 7.903 7.903 7.889 0.014 19828 42 1 1 . 1 1 11 11 PHE N N 11 116.549 116.549 117.944 -1.395 19828 43 1 1 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.289 0.062 19828 44 1 1 . 1 1 11 11 PHE CA C 11 59.844 59.844 60.816 -0.972 19828 45 1 1 . 1 1 11 11 PHE CB C 11 38.992 38.992 39.303 -0.311 19828 46 1 1 . 1 1 11 11 PHE H H 11 8.353 8.353 8.093 0.260 19828 47 1 1 . 1 1 12 12 ARG N N 12 118.598 118.598 119.315 -0.717 19828 48 1 1 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.150 -0.025 19828 49 1 1 . 1 1 12 12 ARG CA C 12 57.755 57.755 57.725 0.030 19828 50 1 1 . 1 1 12 12 ARG CB C 12 29.799 29.799 29.586 0.213 19828 51 1 1 . 1 1 12 12 ARG H H 12 8.054 8.054 7.790 0.264 19828 52 1 1 . 1 1 13 13 LYS N N 13 118.191 118.191 118.380 -0.189 19828 53 1 1 . 1 1 13 13 LYS HA H 13 4.107 4.107 4.065 0.042 19828 54 1 1 . 1 1 13 13 LYS CA C 13 56.948 56.948 58.719 -1.771 19828 55 1 1 . 1 1 13 13 LYS CB C 13 32.384 32.384 32.401 -0.017 19828 56 1 1 . 1 1 13 13 LYS H H 13 7.985 7.985 8.083 -0.098 19828 57 1 1 . 1 1 14 14 HIS N N 14 116.316 116.316 115.493 0.823 19828 58 1 1 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.439 0.191 19828 59 1 1 . 1 1 14 14 HIS CA C 14 56.438 56.438 57.678 -1.240 19828 60 1 1 . 1 1 14 14 HIS CB C 14 30.785 30.785 30.850 -0.065 19828 61 1 1 . 1 1 14 14 HIS H H 14 7.824 7.824 7.505 0.319 19828 62 1 1 . 1 1 15 15 ILE N N 15 119.074 119.074 120.492 -1.418 19828 63 1 1 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.824 0.490 19828 64 1 1 . 1 1 15 15 ILE CA C 15 60.556 60.556 64.305 -3.749 19828 65 1 1 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.169 -0.302 19828 66 1 1 . 1 1 15 15 ILE H H 15 7.857 7.857 8.314 -0.457 19828 67 1 2 . 1 1 2 2 LYS HA H 2 4.208 4.208 4.713 -0.505 19828 68 1 2 . 1 1 2 2 LYS CA C 2 57.604 57.604 55.452 2.152 19828 69 1 2 . 1 1 2 2 LYS CB C 2 32.800 32.800 33.382 -0.582 19828 70 1 2 . 1 1 3 3 PHE N N 3 120.909 120.909 126.649 -5.740 19828 71 1 2 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.222 0.194 19828 72 1 2 . 1 1 3 3 PHE CA C 3 60.640 60.640 60.212 0.428 19828 73 1 2 . 1 1 3 3 PHE CB C 3 38.442 38.442 38.777 -0.335 19828 74 1 2 . 1 1 3 3 PHE H H 3 8.980 8.980 9.150 -0.170 19828 75 1 2 . 1 1 4 4 ARG N N 4 119.516 119.516 118.866 0.650 19828 76 1 2 . 1 1 4 4 ARG HA H 4 3.864 3.864 3.668 0.196 19828 77 1 2 . 1 1 4 4 ARG CA C 4 59.263 59.263 58.361 0.902 19828 78 1 2 . 1 1 4 4 ARG CB C 4 29.457 29.457 28.710 0.747 19828 79 1 2 . 1 1 4 4 ARG H H 4 8.986 8.986 7.582 1.404 19828 80 1 2 . 1 1 5 5 ARG N N 5 119.466 119.466 119.570 -0.104 19828 81 1 2 . 1 1 5 5 ARG HA H 5 4.125 4.125 4.053 0.072 19828 82 1 2 . 1 1 5 5 ARG CA C 5 58.426 58.426 58.457 -0.031 19828 83 1 2 . 1 1 5 5 ARG CB C 5 29.266 29.266 29.280 -0.014 19828 84 1 2 . 1 1 5 5 ARG H H 5 7.997 7.997 7.874 0.123 19828 85 1 2 . 1 1 6 6 TYR N N 6 118.856 118.856 117.661 1.195 19828 86 1 2 . 1 1 6 6 TYR CB C 6 37.706 37.706 37.478 0.228 19828 87 1 2 . 1 1 6 6 TYR H H 6 7.995 7.995 7.417 0.578 19828 88 1 2 . 1 1 7 7 LEU N N 7 117.830 117.830 117.692 0.138 19828 89 1 2 . 1 1 7 7 LEU HA H 7 4.136 4.136 4.227 -0.091 19828 90 1 2 . 1 1 7 7 LEU CA C 7 57.261 57.261 57.924 -0.663 19828 91 1 2 . 1 1 7 7 LEU CB C 7 41.612 41.612 41.943 -0.331 19828 92 1 2 . 1 1 7 7 LEU H H 7 8.106 8.106 7.551 0.555 19828 93 1 2 . 1 1 8 8 SER N N 8 113.703 113.703 115.717 -2.014 19828 94 1 2 . 1 1 8 8 SER HA H 8 4.191 4.191 4.505 -0.314 19828 95 1 2 . 1 1 8 8 SER CA C 8 61.537 61.537 61.702 -0.165 19828 96 1 2 . 1 1 8 8 SER CB C 8 62.607 62.607 63.600 -0.993 19828 97 1 2 . 1 1 8 8 SER H H 8 8.090 8.090 7.798 0.292 19828 98 1 2 . 1 1 9 9 VAL N N 9 120.306 120.306 118.537 1.769 19828 99 1 2 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.831 -0.112 19828 100 1 2 . 1 1 9 9 VAL CA C 9 65.380 65.380 65.792 -0.412 19828 101 1 2 . 1 1 9 9 VAL CB C 9 31.412 31.412 31.305 0.107 19828 102 1 2 . 1 1 9 9 VAL H H 9 7.756 7.756 8.407 -0.651 19828 103 1 2 . 1 1 10 10 PHE N N 10 119.347 119.347 120.918 -1.571 19828 104 1 2 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.200 0.014 19828 105 1 2 . 1 1 10 10 PHE CA C 10 60.757 60.757 60.934 -0.177 19828 106 1 2 . 1 1 10 10 PHE CB C 10 39.205 39.205 39.145 0.060 19828 107 1 2 . 1 1 10 10 PHE H H 10 7.903 7.903 7.884 0.019 19828 108 1 2 . 1 1 11 11 PHE N N 11 116.549 116.549 118.346 -1.797 19828 109 1 2 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.208 0.143 19828 110 1 2 . 1 1 11 11 PHE CA C 11 59.844 59.844 61.466 -1.622 19828 111 1 2 . 1 1 11 11 PHE CB C 11 38.992 38.992 39.360 -0.368 19828 112 1 2 . 1 1 11 11 PHE H H 11 8.353 8.353 7.737 0.616 19828 113 1 2 . 1 1 12 12 ARG N N 12 118.598 118.598 119.418 -0.820 19828 114 1 2 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.194 -0.069 19828 115 1 2 . 1 1 12 12 ARG CA C 12 57.755 57.755 57.578 0.177 19828 116 1 2 . 1 1 12 12 ARG CB C 12 29.799 29.799 29.607 0.192 19828 117 1 2 . 1 1 12 12 ARG H H 12 8.054 8.054 7.915 0.139 19828 118 1 2 . 1 1 13 13 LYS N N 13 118.191 118.191 119.323 -1.132 19828 119 1 2 . 1 1 13 13 LYS HA H 13 4.107 4.107 4.014 0.093 19828 120 1 2 . 1 1 13 13 LYS CA C 13 56.948 56.948 58.707 -1.759 19828 121 1 2 . 1 1 13 13 LYS CB C 13 32.384 32.384 32.025 0.359 19828 122 1 2 . 1 1 13 13 LYS H H 13 7.985 7.985 8.039 -0.054 19828 123 1 2 . 1 1 14 14 HIS N N 14 116.316 116.316 115.210 1.106 19828 124 1 2 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.386 0.244 19828 125 1 2 . 1 1 14 14 HIS CA C 14 56.438 56.438 57.861 -1.423 19828 126 1 2 . 1 1 14 14 HIS CB C 14 30.785 30.785 29.939 0.846 19828 127 1 2 . 1 1 14 14 HIS H H 14 7.824 7.824 7.586 0.238 19828 128 1 2 . 1 1 15 15 ILE N N 15 119.074 119.074 120.289 -1.215 19828 129 1 2 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.889 0.425 19828 130 1 2 . 1 1 15 15 ILE CA C 15 60.556 60.556 64.069 -3.513 19828 131 1 2 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.154 -0.287 19828 132 1 2 . 1 1 15 15 ILE H H 15 7.857 7.857 8.517 -0.660 19828 133 1 3 . 1 1 2 2 LYS HA H 2 4.208 4.208 4.498 -0.290 19828 134 1 3 . 1 1 2 2 LYS CA C 2 57.604 57.604 55.828 1.776 19828 135 1 3 . 1 1 2 2 LYS CB C 2 32.800 32.800 33.164 -0.364 19828 136 1 3 . 1 1 3 3 PHE N N 3 120.909 120.909 119.548 1.361 19828 137 1 3 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.500 -0.084 19828 138 1 3 . 1 1 3 3 PHE CA C 3 60.640 60.640 59.639 1.001 19828 139 1 3 . 1 1 3 3 PHE CB C 3 38.442 38.442 38.924 -0.482 19828 140 1 3 . 1 1 3 3 PHE H H 3 8.980 8.980 8.607 0.373 19828 141 1 3 . 1 1 4 4 ARG N N 4 119.516 119.516 119.851 -0.335 19828 142 1 3 . 1 1 4 4 ARG HA H 4 3.864 3.864 3.666 0.198 19828 143 1 3 . 1 1 4 4 ARG CA C 4 59.263 59.263 58.320 0.943 19828 144 1 3 . 1 1 4 4 ARG CB C 4 29.457 29.457 28.401 1.056 19828 145 1 3 . 1 1 4 4 ARG H H 4 8.986 8.986 7.662 1.324 19828 146 1 3 . 1 1 5 5 ARG N N 5 119.466 119.466 119.591 -0.125 19828 147 1 3 . 1 1 5 5 ARG HA H 5 4.125 4.125 4.004 0.121 19828 148 1 3 . 1 1 5 5 ARG CA C 5 58.426 58.426 58.558 -0.132 19828 149 1 3 . 1 1 5 5 ARG CB C 5 29.266 29.266 29.156 0.110 19828 150 1 3 . 1 1 5 5 ARG H H 5 7.997 7.997 7.517 0.480 19828 151 1 3 . 1 1 6 6 TYR N N 6 118.856 118.856 117.948 0.908 19828 152 1 3 . 1 1 6 6 TYR CB C 6 37.706 37.706 37.835 -0.129 19828 153 1 3 . 1 1 6 6 TYR H H 6 7.995 7.995 7.576 0.419 19828 154 1 3 . 1 1 7 7 LEU N N 7 117.830 117.830 117.969 -0.139 19828 155 1 3 . 1 1 7 7 LEU HA H 7 4.136 4.136 4.137 -0.001 19828 156 1 3 . 1 1 7 7 LEU CA C 7 57.261 57.261 56.753 0.508 19828 157 1 3 . 1 1 7 7 LEU CB C 7 41.612 41.612 40.901 0.711 19828 158 1 3 . 1 1 7 7 LEU H H 7 8.106 8.106 7.239 0.867 19828 159 1 3 . 1 1 8 8 SER N N 8 113.703 113.703 114.929 -1.226 19828 160 1 3 . 1 1 8 8 SER HA H 8 4.191 4.191 4.439 -0.248 19828 161 1 3 . 1 1 8 8 SER CA C 8 61.537 61.537 61.270 0.267 19828 162 1 3 . 1 1 8 8 SER CB C 8 62.607 62.607 63.964 -1.357 19828 163 1 3 . 1 1 8 8 SER H H 8 8.090 8.090 7.772 0.318 19828 164 1 3 . 1 1 9 9 VAL N N 9 120.306 120.306 119.484 0.822 19828 165 1 3 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.800 -0.081 19828 166 1 3 . 1 1 9 9 VAL CA C 9 65.380 65.380 66.593 -1.213 19828 167 1 3 . 1 1 9 9 VAL CB C 9 31.412 31.412 31.032 0.380 19828 168 1 3 . 1 1 9 9 VAL H H 9 7.756 7.756 8.752 -0.996 19828 169 1 3 . 1 1 10 10 PHE N N 10 119.347 119.347 119.713 -0.366 19828 170 1 3 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.297 -0.083 19828 171 1 3 . 1 1 10 10 PHE CA C 10 60.757 60.757 61.038 -0.281 19828 172 1 3 . 1 1 10 10 PHE CB C 10 39.205 39.205 38.401 0.804 19828 173 1 3 . 1 1 10 10 PHE H H 10 7.903 7.903 8.052 -0.149 19828 174 1 3 . 1 1 11 11 PHE N N 11 116.549 116.549 118.642 -2.093 19828 175 1 3 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.493 -0.142 19828 176 1 3 . 1 1 11 11 PHE CA C 11 59.844 59.844 61.543 -1.699 19828 177 1 3 . 1 1 11 11 PHE CB C 11 38.992 38.992 39.394 -0.402 19828 178 1 3 . 1 1 11 11 PHE H H 11 8.353 8.353 8.492 -0.139 19828 179 1 3 . 1 1 12 12 ARG N N 12 118.598 118.598 119.501 -0.903 19828 180 1 3 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.237 -0.112 19828 181 1 3 . 1 1 12 12 ARG CA C 12 57.755 57.755 57.534 0.221 19828 182 1 3 . 1 1 12 12 ARG CB C 12 29.799 29.799 29.701 0.098 19828 183 1 3 . 1 1 12 12 ARG H H 12 8.054 8.054 8.062 -0.008 19828 184 1 3 . 1 1 13 13 LYS N N 13 118.191 118.191 118.921 -0.730 19828 185 1 3 . 1 1 13 13 LYS HA H 13 4.107 4.107 4.056 0.051 19828 186 1 3 . 1 1 13 13 LYS CA C 13 56.948 56.948 58.839 -1.891 19828 187 1 3 . 1 1 13 13 LYS CB C 13 32.384 32.384 32.254 0.130 19828 188 1 3 . 1 1 13 13 LYS H H 13 7.985 7.985 8.218 -0.233 19828 189 1 3 . 1 1 14 14 HIS N N 14 116.316 116.316 115.809 0.507 19828 190 1 3 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.449 0.181 19828 191 1 3 . 1 1 14 14 HIS CA C 14 56.438 56.438 57.950 -1.512 19828 192 1 3 . 1 1 14 14 HIS CB C 14 30.785 30.785 30.460 0.325 19828 193 1 3 . 1 1 14 14 HIS H H 14 7.824 7.824 7.763 0.061 19828 194 1 3 . 1 1 15 15 ILE N N 15 119.074 119.074 120.483 -1.409 19828 195 1 3 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.889 0.425 19828 196 1 3 . 1 1 15 15 ILE CA C 15 60.556 60.556 64.013 -3.458 19828 197 1 3 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.185 -0.318 19828 198 1 3 . 1 1 15 15 ILE H H 15 7.857 7.857 8.378 -0.521 19828 199 1 4 . 1 1 2 2 LYS HA H 2 4.208 4.208 4.582 -0.374 19828 200 1 4 . 1 1 2 2 LYS CA C 2 57.604 57.604 55.765 1.839 19828 201 1 4 . 1 1 2 2 LYS CB C 2 32.800 32.800 32.502 0.298 19828 202 1 4 . 1 1 3 3 PHE N N 3 120.909 120.909 122.329 -1.420 19828 203 1 4 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.478 -0.062 19828 204 1 4 . 1 1 3 3 PHE CA C 3 60.640 60.640 59.210 1.430 19828 205 1 4 . 1 1 3 3 PHE CB C 3 38.442 38.442 39.424 -0.982 19828 206 1 4 . 1 1 3 3 PHE H H 3 8.980 8.980 8.727 0.253 19828 207 1 4 . 1 1 4 4 ARG N N 4 119.516 119.516 119.900 -0.384 19828 208 1 4 . 1 1 4 4 ARG HA H 4 3.864 3.864 3.624 0.240 19828 209 1 4 . 1 1 4 4 ARG CA C 4 59.263 59.263 58.271 0.992 19828 210 1 4 . 1 1 4 4 ARG CB C 4 29.457 29.457 29.030 0.426 19828 211 1 4 . 1 1 4 4 ARG H H 4 8.986 8.986 7.502 1.484 19828 212 1 4 . 1 1 5 5 ARG N N 5 119.466 119.466 119.255 0.211 19828 213 1 4 . 1 1 5 5 ARG HA H 5 4.125 4.125 4.010 0.115 19828 214 1 4 . 1 1 5 5 ARG CA C 5 58.426 58.426 58.512 -0.086 19828 215 1 4 . 1 1 5 5 ARG CB C 5 29.266 29.266 29.102 0.164 19828 216 1 4 . 1 1 5 5 ARG H H 5 7.997 7.997 7.576 0.421 19828 217 1 4 . 1 1 6 6 TYR N N 6 118.856 118.856 118.336 0.520 19828 218 1 4 . 1 1 6 6 TYR CB C 6 37.706 37.706 37.661 0.045 19828 219 1 4 . 1 1 6 6 TYR H H 6 7.995 7.995 7.365 0.630 19828 220 1 4 . 1 1 7 7 LEU N N 7 117.830 117.830 117.263 0.567 19828 221 1 4 . 1 1 7 7 LEU HA H 7 4.136 4.136 4.397 -0.261 19828 222 1 4 . 1 1 7 7 LEU CA C 7 57.261 57.261 57.050 0.211 19828 223 1 4 . 1 1 7 7 LEU CB C 7 41.612 41.612 40.828 0.784 19828 224 1 4 . 1 1 7 7 LEU H H 7 8.106 8.106 7.425 0.681 19828 225 1 4 . 1 1 8 8 SER N N 8 113.703 113.703 115.014 -1.311 19828 226 1 4 . 1 1 8 8 SER HA H 8 4.191 4.191 4.336 -0.145 19828 227 1 4 . 1 1 8 8 SER CA C 8 61.537 61.537 61.091 0.446 19828 228 1 4 . 1 1 8 8 SER CB C 8 62.607 62.607 63.523 -0.916 19828 229 1 4 . 1 1 8 8 SER H H 8 8.090 8.090 7.563 0.527 19828 230 1 4 . 1 1 9 9 VAL N N 9 120.306 120.306 119.214 1.092 19828 231 1 4 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.800 -0.081 19828 232 1 4 . 1 1 9 9 VAL CA C 9 65.380 65.380 66.181 -0.801 19828 233 1 4 . 1 1 9 9 VAL CB C 9 31.412 31.412 31.382 0.030 19828 234 1 4 . 1 1 9 9 VAL H H 9 7.756 7.756 8.674 -0.918 19828 235 1 4 . 1 1 10 10 PHE N N 10 119.347 119.347 121.262 -1.915 19828 236 1 4 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.317 -0.103 19828 237 1 4 . 1 1 10 10 PHE CA C 10 60.757 60.757 61.227 -0.470 19828 238 1 4 . 1 1 10 10 PHE CB C 10 39.205 39.205 39.428 -0.223 19828 239 1 4 . 1 1 10 10 PHE H H 10 7.903 7.903 7.896 0.007 19828 240 1 4 . 1 1 11 11 PHE N N 11 116.549 116.549 118.696 -2.147 19828 241 1 4 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.220 0.131 19828 242 1 4 . 1 1 11 11 PHE CA C 11 59.844 59.844 60.324 -0.480 19828 243 1 4 . 1 1 11 11 PHE CB C 11 38.992 38.992 39.193 -0.201 19828 244 1 4 . 1 1 11 11 PHE H H 11 8.353 8.353 7.855 0.498 19828 245 1 4 . 1 1 12 12 ARG N N 12 118.598 118.598 119.284 -0.686 19828 246 1 4 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.149 -0.024 19828 247 1 4 . 1 1 12 12 ARG CA C 12 57.755 57.755 57.867 -0.112 19828 248 1 4 . 1 1 12 12 ARG CB C 12 29.799 29.799 29.660 0.139 19828 249 1 4 . 1 1 12 12 ARG H H 12 8.054 8.054 8.125 -0.071 19828 250 1 4 . 1 1 13 13 LYS N N 13 118.191 118.191 118.536 -0.345 19828 251 1 4 . 1 1 13 13 LYS HA H 13 4.107 4.107 3.965 0.142 19828 252 1 4 . 1 1 13 13 LYS CA C 13 56.948 56.948 58.511 -1.563 19828 253 1 4 . 1 1 13 13 LYS CB C 13 32.384 32.384 31.945 0.439 19828 254 1 4 . 1 1 13 13 LYS H H 13 7.985 7.985 7.775 0.210 19828 255 1 4 . 1 1 14 14 HIS N N 14 116.316 116.316 115.493 0.823 19828 256 1 4 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.419 0.211 19828 257 1 4 . 1 1 14 14 HIS CA C 14 56.438 56.438 57.484 -1.046 19828 258 1 4 . 1 1 14 14 HIS CB C 14 30.785 30.785 30.191 0.594 19828 259 1 4 . 1 1 14 14 HIS H H 14 7.824 7.824 7.375 0.449 19828 260 1 4 . 1 1 15 15 ILE N N 15 119.074 119.074 120.582 -1.508 19828 261 1 4 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.833 0.481 19828 262 1 4 . 1 1 15 15 ILE CA C 15 60.556 60.556 64.224 -3.668 19828 263 1 4 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.071 -0.204 19828 264 1 4 . 1 1 15 15 ILE H H 15 7.857 7.857 8.295 -0.438 19828 265 1 5 . 1 1 2 2 LYS HA H 2 4.208 4.208 4.624 -0.416 19828 266 1 5 . 1 1 2 2 LYS CA C 2 57.604 57.604 54.633 2.971 19828 267 1 5 . 1 1 2 2 LYS CB C 2 32.800 32.800 34.455 -1.655 19828 268 1 5 . 1 1 3 3 PHE N N 3 120.909 120.909 121.204 -0.295 19828 269 1 5 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.427 -0.011 19828 270 1 5 . 1 1 3 3 PHE CA C 3 60.640 60.640 60.173 0.467 19828 271 1 5 . 1 1 3 3 PHE CB C 3 38.442 38.442 38.645 -0.203 19828 272 1 5 . 1 1 3 3 PHE H H 3 8.980 8.980 8.902 0.078 19828 273 1 5 . 1 1 4 4 ARG N N 4 119.516 119.516 119.339 0.177 19828 274 1 5 . 1 1 4 4 ARG HA H 4 3.864 3.864 3.524 0.340 19828 275 1 5 . 1 1 4 4 ARG CA C 4 59.263 59.263 59.075 0.188 19828 276 1 5 . 1 1 4 4 ARG CB C 4 29.457 29.457 29.103 0.354 19828 277 1 5 . 1 1 4 4 ARG H H 4 8.986 8.986 7.684 1.302 19828 278 1 5 . 1 1 5 5 ARG N N 5 119.466 119.466 119.488 -0.022 19828 279 1 5 . 1 1 5 5 ARG HA H 5 4.125 4.125 4.061 0.064 19828 280 1 5 . 1 1 5 5 ARG CA C 5 58.426 58.426 58.375 0.051 19828 281 1 5 . 1 1 5 5 ARG CB C 5 29.266 29.266 29.811 -0.545 19828 282 1 5 . 1 1 5 5 ARG H H 5 7.997 7.997 7.382 0.615 19828 283 1 5 . 1 1 6 6 TYR N N 6 118.856 118.856 118.431 0.425 19828 284 1 5 . 1 1 6 6 TYR CB C 6 37.706 37.706 37.846 -0.140 19828 285 1 5 . 1 1 6 6 TYR H H 6 7.995 7.995 7.400 0.595 19828 286 1 5 . 1 1 7 7 LEU N N 7 117.830 117.830 117.934 -0.104 19828 287 1 5 . 1 1 7 7 LEU HA H 7 4.136 4.136 4.009 0.127 19828 288 1 5 . 1 1 7 7 LEU CA C 7 57.261 57.261 56.890 0.371 19828 289 1 5 . 1 1 7 7 LEU CB C 7 41.612 41.612 41.825 -0.213 19828 290 1 5 . 1 1 7 7 LEU H H 7 8.106 8.106 7.776 0.330 19828 291 1 5 . 1 1 8 8 SER N N 8 113.703 113.703 115.002 -1.299 19828 292 1 5 . 1 1 8 8 SER HA H 8 4.191 4.191 4.336 -0.145 19828 293 1 5 . 1 1 8 8 SER CA C 8 61.537 61.537 61.239 0.298 19828 294 1 5 . 1 1 8 8 SER CB C 8 62.607 62.607 64.004 -1.397 19828 295 1 5 . 1 1 8 8 SER H H 8 8.090 8.090 7.469 0.621 19828 296 1 5 . 1 1 9 9 VAL N N 9 120.306 120.306 118.893 1.413 19828 297 1 5 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.785 -0.066 19828 298 1 5 . 1 1 9 9 VAL CA C 9 65.380 65.380 66.165 -0.785 19828 299 1 5 . 1 1 9 9 VAL CB C 9 31.412 31.412 31.517 -0.105 19828 300 1 5 . 1 1 9 9 VAL H H 9 7.756 7.756 8.438 -0.682 19828 301 1 5 . 1 1 10 10 PHE N N 10 119.347 119.347 118.994 0.353 19828 302 1 5 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.321 -0.107 19828 303 1 5 . 1 1 10 10 PHE CA C 10 60.757 60.757 60.703 0.054 19828 304 1 5 . 1 1 10 10 PHE CB C 10 39.205 39.205 38.799 0.406 19828 305 1 5 . 1 1 10 10 PHE H H 10 7.903 7.903 7.975 -0.072 19828 306 1 5 . 1 1 11 11 PHE N N 11 116.549 116.549 118.737 -2.188 19828 307 1 5 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.390 -0.039 19828 308 1 5 . 1 1 11 11 PHE CA C 11 59.844 59.844 61.166 -1.322 19828 309 1 5 . 1 1 11 11 PHE CB C 11 38.992 38.992 39.264 -0.272 19828 310 1 5 . 1 1 11 11 PHE H H 11 8.353 8.353 8.559 -0.206 19828 311 1 5 . 1 1 12 12 ARG N N 12 118.598 118.598 119.302 -0.704 19828 312 1 5 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.207 -0.082 19828 313 1 5 . 1 1 12 12 ARG CA C 12 57.755 57.755 57.663 0.092 19828 314 1 5 . 1 1 12 12 ARG CB C 12 29.799 29.799 29.665 0.134 19828 315 1 5 . 1 1 12 12 ARG H H 12 8.054 8.054 8.152 -0.098 19828 316 1 5 . 1 1 13 13 LYS N N 13 118.191 118.191 119.140 -0.949 19828 317 1 5 . 1 1 13 13 LYS HA H 13 4.107 4.107 4.065 0.042 19828 318 1 5 . 1 1 13 13 LYS CA C 13 56.948 56.948 58.674 -1.726 19828 319 1 5 . 1 1 13 13 LYS CB C 13 32.384 32.384 32.210 0.174 19828 320 1 5 . 1 1 13 13 LYS H H 13 7.985 7.985 8.006 -0.021 19828 321 1 5 . 1 1 14 14 HIS N N 14 116.316 116.316 115.920 0.396 19828 322 1 5 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.431 0.199 19828 323 1 5 . 1 1 14 14 HIS CA C 14 56.438 56.438 58.010 -1.572 19828 324 1 5 . 1 1 14 14 HIS CB C 14 30.785 30.785 30.444 0.341 19828 325 1 5 . 1 1 14 14 HIS H H 14 7.824 7.824 7.739 0.085 19828 326 1 5 . 1 1 15 15 ILE N N 15 119.074 119.074 120.248 -1.174 19828 327 1 5 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.895 0.419 19828 328 1 5 . 1 1 15 15 ILE CA C 15 60.556 60.556 64.131 -3.575 19828 329 1 5 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.262 -0.395 19828 330 1 5 . 1 1 15 15 ILE H H 15 7.857 7.857 8.440 -0.583 19828 331 1 6 . 1 1 2 2 LYS HA H 2 4.208 4.208 4.582 -0.374 19828 332 1 6 . 1 1 2 2 LYS CA C 2 57.604 57.604 55.726 1.878 19828 333 1 6 . 1 1 2 2 LYS CB C 2 32.800 32.800 31.975 0.825 19828 334 1 6 . 1 1 3 3 PHE N N 3 120.909 120.909 119.576 1.333 19828 335 1 6 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.703 -0.287 19828 336 1 6 . 1 1 3 3 PHE CA C 3 60.640 60.640 59.625 1.015 19828 337 1 6 . 1 1 3 3 PHE CB C 3 38.442 38.442 39.326 -0.884 19828 338 1 6 . 1 1 3 3 PHE H H 3 8.980 8.980 8.442 0.538 19828 339 1 6 . 1 1 4 4 ARG N N 4 119.516 119.516 119.395 0.121 19828 340 1 6 . 1 1 4 4 ARG HA H 4 3.864 3.864 3.701 0.163 19828 341 1 6 . 1 1 4 4 ARG CA C 4 59.263 59.263 58.049 1.214 19828 342 1 6 . 1 1 4 4 ARG CB C 4 29.457 29.457 29.035 0.423 19828 343 1 6 . 1 1 4 4 ARG H H 4 8.986 8.986 7.669 1.317 19828 344 1 6 . 1 1 5 5 ARG N N 5 119.466 119.466 119.927 -0.461 19828 345 1 6 . 1 1 5 5 ARG HA H 5 4.125 4.125 4.076 0.049 19828 346 1 6 . 1 1 5 5 ARG CA C 5 58.426 58.426 58.315 0.111 19828 347 1 6 . 1 1 5 5 ARG CB C 5 29.266 29.266 29.306 -0.040 19828 348 1 6 . 1 1 5 5 ARG H H 5 7.997 7.997 7.295 0.702 19828 349 1 6 . 1 1 6 6 TYR N N 6 118.856 118.856 118.484 0.372 19828 350 1 6 . 1 1 6 6 TYR CB C 6 37.706 37.706 37.908 -0.202 19828 351 1 6 . 1 1 6 6 TYR H H 6 7.995 7.995 7.429 0.566 19828 352 1 6 . 1 1 7 7 LEU N N 7 117.830 117.830 117.772 0.058 19828 353 1 6 . 1 1 7 7 LEU HA H 7 4.136 4.136 4.229 -0.093 19828 354 1 6 . 1 1 7 7 LEU CA C 7 57.261 57.261 57.090 0.171 19828 355 1 6 . 1 1 7 7 LEU CB C 7 41.612 41.612 41.645 -0.033 19828 356 1 6 . 1 1 7 7 LEU H H 7 8.106 8.106 7.597 0.509 19828 357 1 6 . 1 1 8 8 SER N N 8 113.703 113.703 114.877 -1.174 19828 358 1 6 . 1 1 8 8 SER HA H 8 4.191 4.191 4.333 -0.142 19828 359 1 6 . 1 1 8 8 SER CA C 8 61.537 61.537 61.143 0.394 19828 360 1 6 . 1 1 8 8 SER CB C 8 62.607 62.607 63.627 -1.020 19828 361 1 6 . 1 1 8 8 SER H H 8 8.090 8.090 7.693 0.397 19828 362 1 6 . 1 1 9 9 VAL N N 9 120.306 120.306 120.053 0.253 19828 363 1 6 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.882 -0.163 19828 364 1 6 . 1 1 9 9 VAL CA C 9 65.380 65.380 65.103 0.277 19828 365 1 6 . 1 1 9 9 VAL CB C 9 31.412 31.412 30.818 0.594 19828 366 1 6 . 1 1 9 9 VAL H H 9 7.756 7.756 8.404 -0.648 19828 367 1 6 . 1 1 10 10 PHE N N 10 119.347 119.347 120.886 -1.539 19828 368 1 6 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.258 -0.044 19828 369 1 6 . 1 1 10 10 PHE CA C 10 60.757 60.757 61.112 -0.355 19828 370 1 6 . 1 1 10 10 PHE CB C 10 39.205 39.205 38.920 0.285 19828 371 1 6 . 1 1 10 10 PHE H H 10 7.903 7.903 7.834 0.069 19828 372 1 6 . 1 1 11 11 PHE N N 11 116.549 116.549 118.157 -1.608 19828 373 1 6 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.258 0.093 19828 374 1 6 . 1 1 11 11 PHE CA C 11 59.844 59.844 60.802 -0.958 19828 375 1 6 . 1 1 11 11 PHE CB C 11 38.992 38.992 39.259 -0.267 19828 376 1 6 . 1 1 11 11 PHE H H 11 8.353 8.353 7.784 0.569 19828 377 1 6 . 1 1 12 12 ARG N N 12 118.598 118.598 119.363 -0.765 19828 378 1 6 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.182 -0.057 19828 379 1 6 . 1 1 12 12 ARG CA C 12 57.755 57.755 57.594 0.161 19828 380 1 6 . 1 1 12 12 ARG CB C 12 29.799 29.799 29.650 0.149 19828 381 1 6 . 1 1 12 12 ARG H H 12 8.054 8.054 7.770 0.284 19828 382 1 6 . 1 1 13 13 LYS N N 13 118.191 118.191 119.423 -1.232 19828 383 1 6 . 1 1 13 13 LYS HA H 13 4.107 4.107 4.168 -0.061 19828 384 1 6 . 1 1 13 13 LYS CA C 13 56.948 56.948 58.913 -1.965 19828 385 1 6 . 1 1 13 13 LYS CB C 13 32.384 32.384 32.451 -0.067 19828 386 1 6 . 1 1 13 13 LYS H H 13 7.985 7.985 8.152 -0.167 19828 387 1 6 . 1 1 14 14 HIS N N 14 116.316 116.316 115.398 0.918 19828 388 1 6 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.366 0.264 19828 389 1 6 . 1 1 14 14 HIS CA C 14 56.438 56.438 57.490 -1.052 19828 390 1 6 . 1 1 14 14 HIS CB C 14 30.785 30.785 30.400 0.385 19828 391 1 6 . 1 1 14 14 HIS H H 14 7.824 7.824 7.790 0.034 19828 392 1 6 . 1 1 15 15 ILE N N 15 119.074 119.074 120.286 -1.212 19828 393 1 6 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.835 0.479 19828 394 1 6 . 1 1 15 15 ILE CA C 15 60.556 60.556 64.105 -3.549 19828 395 1 6 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.274 -0.407 19828 396 1 6 . 1 1 15 15 ILE H H 15 7.857 7.857 8.275 -0.418 19828 397 1 7 . 1 1 2 2 LYS HA H 2 4.208 4.208 4.573 -0.365 19828 398 1 7 . 1 1 2 2 LYS CA C 2 57.604 57.604 55.668 1.936 19828 399 1 7 . 1 1 2 2 LYS CB C 2 32.800 32.800 32.418 0.382 19828 400 1 7 . 1 1 3 3 PHE N N 3 120.909 120.909 121.769 -0.860 19828 401 1 7 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.559 -0.143 19828 402 1 7 . 1 1 3 3 PHE CA C 3 60.640 60.640 59.164 1.476 19828 403 1 7 . 1 1 3 3 PHE CB C 3 38.442 38.442 39.258 -0.816 19828 404 1 7 . 1 1 3 3 PHE H H 3 8.980 8.980 8.403 0.577 19828 405 1 7 . 1 1 4 4 ARG N N 4 119.516 119.516 120.141 -0.625 19828 406 1 7 . 1 1 4 4 ARG HA H 4 3.864 3.864 3.665 0.199 19828 407 1 7 . 1 1 4 4 ARG CA C 4 59.263 59.263 58.826 0.437 19828 408 1 7 . 1 1 4 4 ARG CB C 4 29.457 29.457 29.390 0.067 19828 409 1 7 . 1 1 4 4 ARG H H 4 8.986 8.986 7.484 1.502 19828 410 1 7 . 1 1 5 5 ARG N N 5 119.466 119.466 119.280 0.186 19828 411 1 7 . 1 1 5 5 ARG HA H 5 4.125 4.125 3.936 0.189 19828 412 1 7 . 1 1 5 5 ARG CA C 5 58.426 58.426 59.283 -0.857 19828 413 1 7 . 1 1 5 5 ARG CB C 5 29.266 29.266 29.115 0.151 19828 414 1 7 . 1 1 5 5 ARG H H 5 7.997 7.997 7.487 0.510 19828 415 1 7 . 1 1 6 6 TYR N N 6 118.856 118.856 118.039 0.817 19828 416 1 7 . 1 1 6 6 TYR CB C 6 37.706 37.706 37.627 0.079 19828 417 1 7 . 1 1 6 6 TYR H H 6 7.995 7.995 7.429 0.566 19828 418 1 7 . 1 1 7 7 LEU N N 7 117.830 117.830 118.661 -0.831 19828 419 1 7 . 1 1 7 7 LEU HA H 7 4.136 4.136 4.318 -0.182 19828 420 1 7 . 1 1 7 7 LEU CA C 7 57.261 57.261 57.321 -0.060 19828 421 1 7 . 1 1 7 7 LEU CB C 7 41.612 41.612 41.080 0.533 19828 422 1 7 . 1 1 7 7 LEU H H 7 8.106 8.106 7.505 0.601 19828 423 1 7 . 1 1 8 8 SER N N 8 113.703 113.703 115.537 -1.834 19828 424 1 7 . 1 1 8 8 SER HA H 8 4.191 4.191 4.325 -0.134 19828 425 1 7 . 1 1 8 8 SER CA C 8 61.537 61.537 61.486 0.051 19828 426 1 7 . 1 1 8 8 SER CB C 8 62.607 62.607 63.713 -1.106 19828 427 1 7 . 1 1 8 8 SER H H 8 8.090 8.090 8.044 0.046 19828 428 1 7 . 1 1 9 9 VAL N N 9 120.306 120.306 120.385 -0.079 19828 429 1 7 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.760 -0.041 19828 430 1 7 . 1 1 9 9 VAL CA C 9 65.380 65.380 65.550 -0.170 19828 431 1 7 . 1 1 9 9 VAL CB C 9 31.412 31.412 30.966 0.446 19828 432 1 7 . 1 1 9 9 VAL H H 9 7.756 7.756 8.692 -0.936 19828 433 1 7 . 1 1 10 10 PHE N N 10 119.347 119.347 121.393 -2.046 19828 434 1 7 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.284 -0.070 19828 435 1 7 . 1 1 10 10 PHE CA C 10 60.757 60.757 61.084 -0.327 19828 436 1 7 . 1 1 10 10 PHE CB C 10 39.205 39.205 39.041 0.164 19828 437 1 7 . 1 1 10 10 PHE H H 10 7.903 7.903 7.754 0.149 19828 438 1 7 . 1 1 11 11 PHE N N 11 116.549 116.549 118.181 -1.632 19828 439 1 7 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.246 0.105 19828 440 1 7 . 1 1 11 11 PHE CA C 11 59.844 59.844 61.184 -1.341 19828 441 1 7 . 1 1 11 11 PHE CB C 11 38.992 38.992 39.113 -0.121 19828 442 1 7 . 1 1 11 11 PHE H H 11 8.353 8.353 8.481 -0.128 19828 443 1 7 . 1 1 12 12 ARG N N 12 118.598 118.598 119.344 -0.746 19828 444 1 7 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.193 -0.068 19828 445 1 7 . 1 1 12 12 ARG CA C 12 57.755 57.755 57.354 0.401 19828 446 1 7 . 1 1 12 12 ARG CB C 12 29.799 29.799 29.612 0.187 19828 447 1 7 . 1 1 12 12 ARG H H 12 8.054 8.054 7.709 0.345 19828 448 1 7 . 1 1 13 13 LYS N N 13 118.191 118.191 118.974 -0.783 19828 449 1 7 . 1 1 13 13 LYS HA H 13 4.107 4.107 4.050 0.057 19828 450 1 7 . 1 1 13 13 LYS CA C 13 56.948 56.948 58.884 -1.936 19828 451 1 7 . 1 1 13 13 LYS CB C 13 32.384 32.384 32.303 0.081 19828 452 1 7 . 1 1 13 13 LYS H H 13 7.985 7.985 8.242 -0.257 19828 453 1 7 . 1 1 14 14 HIS N N 14 116.316 116.316 115.369 0.947 19828 454 1 7 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.387 0.243 19828 455 1 7 . 1 1 14 14 HIS CA C 14 56.438 56.438 57.807 -1.369 19828 456 1 7 . 1 1 14 14 HIS CB C 14 30.785 30.785 29.988 0.797 19828 457 1 7 . 1 1 14 14 HIS H H 14 7.824 7.824 7.594 0.230 19828 458 1 7 . 1 1 15 15 ILE N N 15 119.074 119.074 120.451 -1.377 19828 459 1 7 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.845 0.469 19828 460 1 7 . 1 1 15 15 ILE CA C 15 60.556 60.556 64.197 -3.641 19828 461 1 7 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.211 -0.343 19828 462 1 7 . 1 1 15 15 ILE H H 15 7.857 7.857 8.272 -0.415 19828 463 1 8 . 1 1 2 2 LYS HA H 2 4.208 4.208 4.448 -0.240 19828 464 1 8 . 1 1 2 2 LYS CA C 2 57.604 57.604 55.117 2.487 19828 465 1 8 . 1 1 2 2 LYS CB C 2 32.800 32.800 32.361 0.439 19828 466 1 8 . 1 1 3 3 PHE N N 3 120.909 120.909 117.733 3.176 19828 467 1 8 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.563 -0.147 19828 468 1 8 . 1 1 3 3 PHE CA C 3 60.640 60.640 59.043 1.597 19828 469 1 8 . 1 1 3 3 PHE CB C 3 38.442 38.442 38.738 -0.296 19828 470 1 8 . 1 1 3 3 PHE H H 3 8.980 8.980 8.136 0.844 19828 471 1 8 . 1 1 4 4 ARG N N 4 119.516 119.516 120.166 -0.650 19828 472 1 8 . 1 1 4 4 ARG HA H 4 3.864 3.864 3.635 0.229 19828 473 1 8 . 1 1 4 4 ARG CA C 4 59.263 59.263 59.102 0.161 19828 474 1 8 . 1 1 4 4 ARG CB C 4 29.457 29.457 29.186 0.271 19828 475 1 8 . 1 1 4 4 ARG H H 4 8.986 8.986 7.486 1.500 19828 476 1 8 . 1 1 5 5 ARG N N 5 119.466 119.466 119.857 -0.391 19828 477 1 8 . 1 1 5 5 ARG HA H 5 4.125 4.125 4.034 0.091 19828 478 1 8 . 1 1 5 5 ARG CA C 5 58.426 58.426 58.542 -0.116 19828 479 1 8 . 1 1 5 5 ARG CB C 5 29.266 29.266 29.281 -0.015 19828 480 1 8 . 1 1 5 5 ARG H H 5 7.997 7.997 7.416 0.581 19828 481 1 8 . 1 1 6 6 TYR N N 6 118.856 118.856 117.325 1.531 19828 482 1 8 . 1 1 6 6 TYR CB C 6 37.706 37.706 37.881 -0.175 19828 483 1 8 . 1 1 6 6 TYR H H 6 7.995 7.995 7.672 0.323 19828 484 1 8 . 1 1 7 7 LEU N N 7 117.830 117.830 117.956 -0.126 19828 485 1 8 . 1 1 7 7 LEU HA H 7 4.136 4.136 4.131 0.005 19828 486 1 8 . 1 1 7 7 LEU CA C 7 57.261 57.261 56.873 0.388 19828 487 1 8 . 1 1 7 7 LEU CB C 7 41.612 41.612 41.772 -0.160 19828 488 1 8 . 1 1 7 7 LEU H H 7 8.106 8.106 7.284 0.822 19828 489 1 8 . 1 1 8 8 SER N N 8 113.703 113.703 114.951 -1.248 19828 490 1 8 . 1 1 8 8 SER HA H 8 4.191 4.191 4.359 -0.168 19828 491 1 8 . 1 1 8 8 SER CA C 8 61.537 61.537 61.152 0.385 19828 492 1 8 . 1 1 8 8 SER CB C 8 62.607 62.607 64.066 -1.459 19828 493 1 8 . 1 1 8 8 SER H H 8 8.090 8.090 7.933 0.157 19828 494 1 8 . 1 1 9 9 VAL N N 9 120.306 120.306 119.020 1.286 19828 495 1 8 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.801 -0.082 19828 496 1 8 . 1 1 9 9 VAL CA C 9 65.380 65.380 66.155 -0.775 19828 497 1 8 . 1 1 9 9 VAL CB C 9 31.412 31.412 31.103 0.309 19828 498 1 8 . 1 1 9 9 VAL H H 9 7.756 7.756 8.633 -0.877 19828 499 1 8 . 1 1 10 10 PHE N N 10 119.347 119.347 119.199 0.148 19828 500 1 8 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.345 -0.131 19828 501 1 8 . 1 1 10 10 PHE CA C 10 60.757 60.757 61.152 -0.395 19828 502 1 8 . 1 1 10 10 PHE CB C 10 39.205 39.205 38.385 0.820 19828 503 1 8 . 1 1 10 10 PHE H H 10 7.903 7.903 7.944 -0.041 19828 504 1 8 . 1 1 11 11 PHE N N 11 116.549 116.549 118.626 -2.077 19828 505 1 8 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.480 -0.129 19828 506 1 8 . 1 1 11 11 PHE CA C 11 59.844 59.844 61.308 -1.464 19828 507 1 8 . 1 1 11 11 PHE CB C 11 38.992 38.992 39.330 -0.337 19828 508 1 8 . 1 1 11 11 PHE H H 11 8.353 8.353 8.457 -0.104 19828 509 1 8 . 1 1 12 12 ARG N N 12 118.598 118.598 119.436 -0.838 19828 510 1 8 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.247 -0.122 19828 511 1 8 . 1 1 12 12 ARG CA C 12 57.755 57.755 57.536 0.219 19828 512 1 8 . 1 1 12 12 ARG CB C 12 29.799 29.799 29.755 0.044 19828 513 1 8 . 1 1 12 12 ARG H H 12 8.054 8.054 8.114 -0.060 19828 514 1 8 . 1 1 13 13 LYS N N 13 118.191 118.191 119.610 -1.419 19828 515 1 8 . 1 1 13 13 LYS HA H 13 4.107 4.107 4.095 0.012 19828 516 1 8 . 1 1 13 13 LYS CA C 13 56.948 56.948 58.770 -1.822 19828 517 1 8 . 1 1 13 13 LYS CB C 13 32.384 32.384 32.206 0.178 19828 518 1 8 . 1 1 13 13 LYS H H 13 7.985 7.985 8.273 -0.288 19828 519 1 8 . 1 1 14 14 HIS N N 14 116.316 116.316 115.383 0.933 19828 520 1 8 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.422 0.208 19828 521 1 8 . 1 1 14 14 HIS CA C 14 56.438 56.438 57.835 -1.397 19828 522 1 8 . 1 1 14 14 HIS CB C 14 30.785 30.785 30.251 0.534 19828 523 1 8 . 1 1 14 14 HIS H H 14 7.824 7.824 7.814 0.010 19828 524 1 8 . 1 1 15 15 ILE N N 15 119.074 119.074 120.653 -1.579 19828 525 1 8 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.874 0.440 19828 526 1 8 . 1 1 15 15 ILE CA C 15 60.556 60.556 64.076 -3.519 19828 527 1 8 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.231 -0.364 19828 528 1 8 . 1 1 15 15 ILE H H 15 7.857 7.857 8.314 -0.457 19828 529 1 9 . 1 1 2 2 LYS HA H 2 4.208 4.208 4.524 -0.316 19828 530 1 9 . 1 1 2 2 LYS CA C 2 57.604 57.604 55.486 2.118 19828 531 1 9 . 1 1 2 2 LYS CB C 2 32.800 32.800 31.827 0.973 19828 532 1 9 . 1 1 3 3 PHE N N 3 120.909 120.909 119.579 1.330 19828 533 1 9 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.241 0.175 19828 534 1 9 . 1 1 3 3 PHE CA C 3 60.640 60.640 59.605 1.036 19828 535 1 9 . 1 1 3 3 PHE CB C 3 38.442 38.442 38.752 -0.309 19828 536 1 9 . 1 1 3 3 PHE H H 3 8.980 8.980 8.031 0.949 19828 537 1 9 . 1 1 4 4 ARG N N 4 119.516 119.516 119.688 -0.172 19828 538 1 9 . 1 1 4 4 ARG HA H 4 3.864 3.864 3.804 0.060 19828 539 1 9 . 1 1 4 4 ARG CA C 4 59.263 59.263 58.930 0.333 19828 540 1 9 . 1 1 4 4 ARG CB C 4 29.457 29.457 29.257 0.200 19828 541 1 9 . 1 1 4 4 ARG H H 4 8.986 8.986 7.476 1.510 19828 542 1 9 . 1 1 5 5 ARG N N 5 119.466 119.466 119.655 -0.189 19828 543 1 9 . 1 1 5 5 ARG HA H 5 4.125 4.125 4.034 0.091 19828 544 1 9 . 1 1 5 5 ARG CA C 5 58.426 58.426 58.239 0.187 19828 545 1 9 . 1 1 5 5 ARG CB C 5 29.266 29.266 29.270 -0.004 19828 546 1 9 . 1 1 5 5 ARG H H 5 7.997 7.997 7.326 0.671 19828 547 1 9 . 1 1 6 6 TYR N N 6 118.856 118.856 118.003 0.853 19828 548 1 9 . 1 1 6 6 TYR CB C 6 37.706 37.706 37.597 0.109 19828 549 1 9 . 1 1 6 6 TYR H H 6 7.995 7.995 7.472 0.523 19828 550 1 9 . 1 1 7 7 LEU N N 7 117.830 117.830 117.208 0.622 19828 551 1 9 . 1 1 7 7 LEU HA H 7 4.136 4.136 4.312 -0.176 19828 552 1 9 . 1 1 7 7 LEU CA C 7 57.261 57.261 57.528 -0.267 19828 553 1 9 . 1 1 7 7 LEU CB C 7 41.612 41.612 41.736 -0.124 19828 554 1 9 . 1 1 7 7 LEU H H 7 8.106 8.106 7.537 0.569 19828 555 1 9 . 1 1 8 8 SER N N 8 113.703 113.703 114.657 -0.954 19828 556 1 9 . 1 1 8 8 SER HA H 8 4.191 4.191 4.536 -0.345 19828 557 1 9 . 1 1 8 8 SER CA C 8 61.537 61.537 60.944 0.592 19828 558 1 9 . 1 1 8 8 SER CB C 8 62.607 62.607 63.977 -1.370 19828 559 1 9 . 1 1 8 8 SER H H 8 8.090 8.090 7.640 0.450 19828 560 1 9 . 1 1 9 9 VAL N N 9 120.306 120.306 120.112 0.194 19828 561 1 9 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.776 -0.057 19828 562 1 9 . 1 1 9 9 VAL CA C 9 65.380 65.380 65.954 -0.574 19828 563 1 9 . 1 1 9 9 VAL CB C 9 31.412 31.412 31.279 0.133 19828 564 1 9 . 1 1 9 9 VAL H H 9 7.756 7.756 8.343 -0.587 19828 565 1 9 . 1 1 10 10 PHE N N 10 119.347 119.347 122.222 -2.875 19828 566 1 9 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.207 0.007 19828 567 1 9 . 1 1 10 10 PHE CA C 10 60.757 60.757 60.409 0.348 19828 568 1 9 . 1 1 10 10 PHE CB C 10 39.205 39.205 38.848 0.357 19828 569 1 9 . 1 1 10 10 PHE H H 10 7.903 7.903 7.968 -0.065 19828 570 1 9 . 1 1 11 11 PHE N N 11 116.549 116.549 118.302 -1.753 19828 571 1 9 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.210 0.141 19828 572 1 9 . 1 1 11 11 PHE CA C 11 59.844 59.844 61.730 -1.886 19828 573 1 9 . 1 1 11 11 PHE CB C 11 38.992 38.992 39.387 -0.395 19828 574 1 9 . 1 1 11 11 PHE H H 11 8.353 8.353 8.359 -0.006 19828 575 1 9 . 1 1 12 12 ARG N N 12 118.598 118.598 119.478 -0.880 19828 576 1 9 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.203 -0.078 19828 577 1 9 . 1 1 12 12 ARG CA C 12 57.755 57.755 57.405 0.350 19828 578 1 9 . 1 1 12 12 ARG CB C 12 29.799 29.799 29.654 0.145 19828 579 1 9 . 1 1 12 12 ARG H H 12 8.054 8.054 7.696 0.358 19828 580 1 9 . 1 1 13 13 LYS N N 13 118.191 118.191 119.203 -1.012 19828 581 1 9 . 1 1 13 13 LYS HA H 13 4.107 4.107 4.056 0.051 19828 582 1 9 . 1 1 13 13 LYS CA C 13 56.948 56.948 58.951 -2.003 19828 583 1 9 . 1 1 13 13 LYS CB C 13 32.384 32.384 32.326 0.058 19828 584 1 9 . 1 1 13 13 LYS H H 13 7.985 7.985 8.170 -0.185 19828 585 1 9 . 1 1 14 14 HIS N N 14 116.316 116.316 116.211 0.105 19828 586 1 9 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.422 0.208 19828 587 1 9 . 1 1 14 14 HIS CA C 14 56.438 56.438 57.728 -1.290 19828 588 1 9 . 1 1 14 14 HIS CB C 14 30.785 30.785 30.186 0.599 19828 589 1 9 . 1 1 14 14 HIS H H 14 7.824 7.824 7.584 0.240 19828 590 1 9 . 1 1 15 15 ILE N N 15 119.074 119.074 120.329 -1.255 19828 591 1 9 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.853 0.462 19828 592 1 9 . 1 1 15 15 ILE CA C 15 60.556 60.556 64.063 -3.507 19828 593 1 9 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.164 -0.297 19828 594 1 9 . 1 1 15 15 ILE H H 15 7.857 7.857 8.285 -0.428 19828 595 1 10 . 1 1 2 2 LYS HA H 2 4.208 4.208 4.716 -0.508 19828 596 1 10 . 1 1 2 2 LYS CA C 2 57.604 57.604 55.368 2.236 19828 597 1 10 . 1 1 2 2 LYS CB C 2 32.800 32.800 33.649 -0.849 19828 598 1 10 . 1 1 3 3 PHE N N 3 120.909 120.909 125.279 -4.370 19828 599 1 10 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.402 0.014 19828 600 1 10 . 1 1 3 3 PHE CA C 3 60.640 60.640 60.368 0.272 19828 601 1 10 . 1 1 3 3 PHE CB C 3 38.442 38.442 38.761 -0.319 19828 602 1 10 . 1 1 3 3 PHE H H 3 8.980 8.980 9.258 -0.278 19828 603 1 10 . 1 1 4 4 ARG N N 4 119.516 119.516 118.981 0.535 19828 604 1 10 . 1 1 4 4 ARG HA H 4 3.864 3.864 3.634 0.230 19828 605 1 10 . 1 1 4 4 ARG CA C 4 59.263 59.263 58.273 0.990 19828 606 1 10 . 1 1 4 4 ARG CB C 4 29.457 29.457 28.756 0.702 19828 607 1 10 . 1 1 4 4 ARG H H 4 8.986 8.986 7.655 1.331 19828 608 1 10 . 1 1 5 5 ARG N N 5 119.466 119.466 120.034 -0.568 19828 609 1 10 . 1 1 5 5 ARG HA H 5 4.125 4.125 3.934 0.191 19828 610 1 10 . 1 1 5 5 ARG CA C 5 58.426 58.426 58.924 -0.498 19828 611 1 10 . 1 1 5 5 ARG CB C 5 29.266 29.266 29.040 0.226 19828 612 1 10 . 1 1 5 5 ARG H H 5 7.997 7.997 7.598 0.399 19828 613 1 10 . 1 1 6 6 TYR N N 6 118.856 118.856 116.273 2.583 19828 614 1 10 . 1 1 6 6 TYR CB C 6 37.706 37.706 37.773 -0.067 19828 615 1 10 . 1 1 6 6 TYR H H 6 7.995 7.995 7.599 0.396 19828 616 1 10 . 1 1 7 7 LEU N N 7 117.830 117.830 117.970 -0.140 19828 617 1 10 . 1 1 7 7 LEU HA H 7 4.136 4.136 4.448 -0.312 19828 618 1 10 . 1 1 7 7 LEU CA C 7 57.261 57.261 57.077 0.184 19828 619 1 10 . 1 1 7 7 LEU CB C 7 41.612 41.612 41.934 -0.322 19828 620 1 10 . 1 1 7 7 LEU H H 7 8.106 8.106 7.239 0.867 19828 621 1 10 . 1 1 8 8 SER N N 8 113.703 113.703 115.093 -1.390 19828 622 1 10 . 1 1 8 8 SER HA H 8 4.191 4.191 4.374 -0.183 19828 623 1 10 . 1 1 8 8 SER CA C 8 61.537 61.537 61.288 0.249 19828 624 1 10 . 1 1 8 8 SER CB C 8 62.607 62.607 63.612 -1.005 19828 625 1 10 . 1 1 8 8 SER H H 8 8.090 8.090 8.025 0.065 19828 626 1 10 . 1 1 9 9 VAL N N 9 120.306 120.306 119.613 0.693 19828 627 1 10 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.679 0.040 19828 628 1 10 . 1 1 9 9 VAL CA C 9 65.380 65.380 66.298 -0.918 19828 629 1 10 . 1 1 9 9 VAL CB C 9 31.412 31.412 30.451 0.961 19828 630 1 10 . 1 1 9 9 VAL H H 9 7.756 7.756 8.659 -0.903 19828 631 1 10 . 1 1 10 10 PHE N N 10 119.347 119.347 119.264 0.083 19828 632 1 10 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.269 -0.055 19828 633 1 10 . 1 1 10 10 PHE CA C 10 60.757 60.757 61.508 -0.750 19828 634 1 10 . 1 1 10 10 PHE CB C 10 39.205 39.205 38.478 0.727 19828 635 1 10 . 1 1 10 10 PHE H H 10 7.903 7.903 7.708 0.195 19828 636 1 10 . 1 1 11 11 PHE N N 11 116.549 116.549 118.786 -2.237 19828 637 1 10 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.399 -0.048 19828 638 1 10 . 1 1 11 11 PHE CA C 11 59.844 59.844 61.153 -1.309 19828 639 1 10 . 1 1 11 11 PHE CB C 11 38.992 38.992 39.249 -0.257 19828 640 1 10 . 1 1 11 11 PHE H H 11 8.353 8.353 8.326 0.027 19828 641 1 10 . 1 1 12 12 ARG N N 12 118.598 118.598 119.525 -0.927 19828 642 1 10 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.169 -0.044 19828 643 1 10 . 1 1 12 12 ARG CA C 12 57.755 57.755 57.743 0.012 19828 644 1 10 . 1 1 12 12 ARG CB C 12 29.799 29.799 29.564 0.235 19828 645 1 10 . 1 1 12 12 ARG H H 12 8.054 8.054 8.328 -0.274 19828 646 1 10 . 1 1 13 13 LYS N N 13 118.191 118.191 118.657 -0.466 19828 647 1 10 . 1 1 13 13 LYS HA H 13 4.107 4.107 4.032 0.075 19828 648 1 10 . 1 1 13 13 LYS CA C 13 56.948 56.948 58.799 -1.851 19828 649 1 10 . 1 1 13 13 LYS CB C 13 32.384 32.384 32.175 0.209 19828 650 1 10 . 1 1 13 13 LYS H H 13 7.985 7.985 8.150 -0.165 19828 651 1 10 . 1 1 14 14 HIS N N 14 116.316 116.316 115.557 0.759 19828 652 1 10 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.474 0.156 19828 653 1 10 . 1 1 14 14 HIS CA C 14 56.438 56.438 57.726 -1.288 19828 654 1 10 . 1 1 14 14 HIS CB C 14 30.785 30.785 30.139 0.646 19828 655 1 10 . 1 1 14 14 HIS H H 14 7.824 7.824 7.560 0.264 19828 656 1 10 . 1 1 15 15 ILE N N 15 119.074 119.074 120.481 -1.407 19828 657 1 10 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.864 0.450 19828 658 1 10 . 1 1 15 15 ILE CA C 15 60.556 60.556 64.147 -3.591 19828 659 1 10 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.043 -0.176 19828 660 1 10 . 1 1 15 15 ILE H H 15 7.857 7.857 8.438 -0.581 19828 661 1 11 . 1 1 2 2 LYS HA H 2 4.208 4.208 4.545 -0.337 19828 662 1 11 . 1 1 2 2 LYS CA C 2 57.604 57.604 55.697 1.907 19828 663 1 11 . 1 1 2 2 LYS CB C 2 32.800 32.800 33.772 -0.972 19828 664 1 11 . 1 1 3 3 PHE N N 3 120.909 120.909 123.791 -2.882 19828 665 1 11 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.594 -0.178 19828 666 1 11 . 1 1 3 3 PHE CA C 3 60.640 60.640 59.499 1.141 19828 667 1 11 . 1 1 3 3 PHE CB C 3 38.442 38.442 39.536 -1.094 19828 668 1 11 . 1 1 3 3 PHE H H 3 8.980 8.980 8.707 0.273 19828 669 1 11 . 1 1 4 4 ARG N N 4 119.516 119.516 119.496 0.020 19828 670 1 11 . 1 1 4 4 ARG HA H 4 3.864 3.864 3.832 0.032 19828 671 1 11 . 1 1 4 4 ARG CA C 4 59.263 59.263 59.620 -0.357 19828 672 1 11 . 1 1 4 4 ARG CB C 4 29.457 29.457 29.464 -0.007 19828 673 1 11 . 1 1 4 4 ARG H H 4 8.986 8.986 8.422 0.564 19828 674 1 11 . 1 1 5 5 ARG N N 5 119.466 119.466 118.545 0.921 19828 675 1 11 . 1 1 5 5 ARG HA H 5 4.125 4.125 4.014 0.111 19828 676 1 11 . 1 1 5 5 ARG CA C 5 58.426 58.426 58.523 -0.097 19828 677 1 11 . 1 1 5 5 ARG CB C 5 29.266 29.266 29.138 0.128 19828 678 1 11 . 1 1 5 5 ARG H H 5 7.997 7.997 7.625 0.372 19828 679 1 11 . 1 1 6 6 TYR N N 6 118.856 118.856 117.975 0.881 19828 680 1 11 . 1 1 6 6 TYR CB C 6 37.706 37.706 37.776 -0.070 19828 681 1 11 . 1 1 6 6 TYR H H 6 7.995 7.995 7.194 0.801 19828 682 1 11 . 1 1 7 7 LEU N N 7 117.830 117.830 117.687 0.143 19828 683 1 11 . 1 1 7 7 LEU HA H 7 4.136 4.136 3.791 0.345 19828 684 1 11 . 1 1 7 7 LEU CA C 7 57.261 57.261 56.780 0.481 19828 685 1 11 . 1 1 7 7 LEU CB C 7 41.612 41.612 41.601 0.011 19828 686 1 11 . 1 1 7 7 LEU H H 7 8.106 8.106 7.500 0.606 19828 687 1 11 . 1 1 8 8 SER N N 8 113.703 113.703 115.077 -1.374 19828 688 1 11 . 1 1 8 8 SER HA H 8 4.191 4.191 4.329 -0.138 19828 689 1 11 . 1 1 8 8 SER CA C 8 61.537 61.537 61.070 0.467 19828 690 1 11 . 1 1 8 8 SER CB C 8 62.607 62.607 63.881 -1.274 19828 691 1 11 . 1 1 8 8 SER H H 8 8.090 8.090 7.526 0.564 19828 692 1 11 . 1 1 9 9 VAL N N 9 120.306 120.306 119.321 0.985 19828 693 1 11 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.807 -0.088 19828 694 1 11 . 1 1 9 9 VAL CA C 9 65.380 65.380 66.334 -0.954 19828 695 1 11 . 1 1 9 9 VAL CB C 9 31.412 31.412 31.174 0.238 19828 696 1 11 . 1 1 9 9 VAL H H 9 7.756 7.756 8.796 -1.040 19828 697 1 11 . 1 1 10 10 PHE N N 10 119.347 119.347 119.181 0.166 19828 698 1 11 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.356 -0.142 19828 699 1 11 . 1 1 10 10 PHE CA C 10 60.757 60.757 60.905 -0.148 19828 700 1 11 . 1 1 10 10 PHE CB C 10 39.205 39.205 38.412 0.793 19828 701 1 11 . 1 1 10 10 PHE H H 10 7.903 7.903 7.878 0.025 19828 702 1 11 . 1 1 11 11 PHE N N 11 116.549 116.549 118.951 -2.402 19828 703 1 11 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.431 -0.080 19828 704 1 11 . 1 1 11 11 PHE CA C 11 59.844 59.844 61.415 -1.571 19828 705 1 11 . 1 1 11 11 PHE CB C 11 38.992 38.992 39.322 -0.330 19828 706 1 11 . 1 1 11 11 PHE H H 11 8.353 8.353 8.436 -0.083 19828 707 1 11 . 1 1 12 12 ARG N N 12 118.598 118.598 119.415 -0.817 19828 708 1 11 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.198 -0.073 19828 709 1 11 . 1 1 12 12 ARG CA C 12 57.755 57.755 57.822 -0.067 19828 710 1 11 . 1 1 12 12 ARG CB C 12 29.799 29.799 29.608 0.191 19828 711 1 11 . 1 1 12 12 ARG H H 12 8.054 8.054 8.046 0.008 19828 712 1 11 . 1 1 13 13 LYS N N 13 118.191 118.191 118.443 -0.252 19828 713 1 11 . 1 1 13 13 LYS HA H 13 4.107 4.107 4.109 -0.002 19828 714 1 11 . 1 1 13 13 LYS CA C 13 56.948 56.948 58.724 -1.776 19828 715 1 11 . 1 1 13 13 LYS CB C 13 32.384 32.384 32.332 0.052 19828 716 1 11 . 1 1 13 13 LYS H H 13 7.985 7.985 8.069 -0.084 19828 717 1 11 . 1 1 14 14 HIS N N 14 116.316 116.316 115.508 0.808 19828 718 1 11 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.436 0.194 19828 719 1 11 . 1 1 14 14 HIS CA C 14 56.438 56.438 57.757 -1.319 19828 720 1 11 . 1 1 14 14 HIS CB C 14 30.785 30.785 30.824 -0.039 19828 721 1 11 . 1 1 14 14 HIS H H 14 7.824 7.824 7.721 0.103 19828 722 1 11 . 1 1 15 15 ILE N N 15 119.074 119.074 120.215 -1.141 19828 723 1 11 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.884 0.430 19828 724 1 11 . 1 1 15 15 ILE CA C 15 60.556 60.556 64.350 -3.794 19828 725 1 11 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.313 -0.446 19828 726 1 11 . 1 1 15 15 ILE H H 15 7.857 7.857 8.434 -0.577 19828 727 1 12 . 1 1 2 2 LYS HA H 2 4.208 4.208 4.541 -0.333 19828 728 1 12 . 1 1 2 2 LYS CA C 2 57.604 57.604 55.529 2.075 19828 729 1 12 . 1 1 2 2 LYS CB C 2 32.800 32.800 32.253 0.547 19828 730 1 12 . 1 1 3 3 PHE N N 3 120.909 120.909 125.632 -4.723 19828 731 1 12 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.404 0.012 19828 732 1 12 . 1 1 3 3 PHE CA C 3 60.640 60.640 59.415 1.225 19828 733 1 12 . 1 1 3 3 PHE CB C 3 38.442 38.442 39.538 -1.096 19828 734 1 12 . 1 1 3 3 PHE H H 3 8.980 8.980 8.415 0.565 19828 735 1 12 . 1 1 4 4 ARG N N 4 119.516 119.516 119.036 0.480 19828 736 1 12 . 1 1 4 4 ARG HA H 4 3.864 3.864 3.887 -0.023 19828 737 1 12 . 1 1 4 4 ARG CA C 4 59.263 59.263 59.083 0.180 19828 738 1 12 . 1 1 4 4 ARG CB C 4 29.457 29.457 29.753 -0.295 19828 739 1 12 . 1 1 4 4 ARG H H 4 8.986 8.986 8.334 0.652 19828 740 1 12 . 1 1 5 5 ARG N N 5 119.466 119.466 119.679 -0.213 19828 741 1 12 . 1 1 5 5 ARG HA H 5 4.125 4.125 3.949 0.176 19828 742 1 12 . 1 1 5 5 ARG CA C 5 58.426 58.426 58.380 0.046 19828 743 1 12 . 1 1 5 5 ARG CB C 5 29.266 29.266 29.309 -0.043 19828 744 1 12 . 1 1 5 5 ARG H H 5 7.997 7.997 7.759 0.238 19828 745 1 12 . 1 1 6 6 TYR N N 6 118.856 118.856 116.825 2.031 19828 746 1 12 . 1 1 6 6 TYR CB C 6 37.706 37.706 37.801 -0.095 19828 747 1 12 . 1 1 6 6 TYR H H 6 7.995 7.995 7.668 0.327 19828 748 1 12 . 1 1 7 7 LEU N N 7 117.830 117.830 118.616 -0.786 19828 749 1 12 . 1 1 7 7 LEU HA H 7 4.136 4.136 4.346 -0.210 19828 750 1 12 . 1 1 7 7 LEU CA C 7 57.261 57.261 57.171 0.090 19828 751 1 12 . 1 1 7 7 LEU CB C 7 41.612 41.612 41.699 -0.087 19828 752 1 12 . 1 1 7 7 LEU H H 7 8.106 8.106 7.239 0.867 19828 753 1 12 . 1 1 8 8 SER N N 8 113.703 113.703 115.218 -1.515 19828 754 1 12 . 1 1 8 8 SER HA H 8 4.191 4.191 4.326 -0.135 19828 755 1 12 . 1 1 8 8 SER CA C 8 61.537 61.537 61.434 0.103 19828 756 1 12 . 1 1 8 8 SER CB C 8 62.607 62.607 63.724 -1.117 19828 757 1 12 . 1 1 8 8 SER H H 8 8.090 8.090 7.813 0.277 19828 758 1 12 . 1 1 9 9 VAL N N 9 120.306 120.306 119.275 1.031 19828 759 1 12 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.610 0.109 19828 760 1 12 . 1 1 9 9 VAL CA C 9 65.380 65.380 66.276 -0.896 19828 761 1 12 . 1 1 9 9 VAL CB C 9 31.412 31.412 31.167 0.245 19828 762 1 12 . 1 1 9 9 VAL H H 9 7.756 7.756 7.983 -0.227 19828 763 1 12 . 1 1 10 10 PHE N N 10 119.347 119.347 118.608 0.739 19828 764 1 12 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.314 -0.100 19828 765 1 12 . 1 1 10 10 PHE CA C 10 60.757 60.757 61.364 -0.607 19828 766 1 12 . 1 1 10 10 PHE CB C 10 39.205 39.205 38.650 0.555 19828 767 1 12 . 1 1 10 10 PHE H H 10 7.903 7.903 7.578 0.325 19828 768 1 12 . 1 1 11 11 PHE N N 11 116.549 116.549 118.705 -2.156 19828 769 1 12 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.474 -0.123 19828 770 1 12 . 1 1 11 11 PHE CA C 11 59.844 59.844 61.167 -1.323 19828 771 1 12 . 1 1 11 11 PHE CB C 11 38.992 38.992 39.272 -0.280 19828 772 1 12 . 1 1 11 11 PHE H H 11 8.353 8.353 8.349 0.004 19828 773 1 12 . 1 1 12 12 ARG N N 12 118.598 118.598 119.549 -0.951 19828 774 1 12 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.205 -0.080 19828 775 1 12 . 1 1 12 12 ARG CA C 12 57.755 57.755 57.521 0.234 19828 776 1 12 . 1 1 12 12 ARG CB C 12 29.799 29.799 29.601 0.198 19828 777 1 12 . 1 1 12 12 ARG H H 12 8.054 8.054 8.148 -0.094 19828 778 1 12 . 1 1 13 13 LYS N N 13 118.191 118.191 119.396 -1.205 19828 779 1 12 . 1 1 13 13 LYS HA H 13 4.107 4.107 4.109 -0.002 19828 780 1 12 . 1 1 13 13 LYS CA C 13 56.948 56.948 58.795 -1.847 19828 781 1 12 . 1 1 13 13 LYS CB C 13 32.384 32.384 32.318 0.066 19828 782 1 12 . 1 1 13 13 LYS H H 13 7.985 7.985 8.322 -0.337 19828 783 1 12 . 1 1 14 14 HIS N N 14 116.316 116.316 115.467 0.849 19828 784 1 12 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.444 0.186 19828 785 1 12 . 1 1 14 14 HIS CA C 14 56.438 56.438 57.875 -1.437 19828 786 1 12 . 1 1 14 14 HIS CB C 14 30.785 30.785 30.383 0.402 19828 787 1 12 . 1 1 14 14 HIS H H 14 7.824 7.824 7.868 -0.044 19828 788 1 12 . 1 1 15 15 ILE N N 15 119.074 119.074 120.400 -1.326 19828 789 1 12 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.866 0.448 19828 790 1 12 . 1 1 15 15 ILE CA C 15 60.556 60.556 64.068 -3.512 19828 791 1 12 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.172 -0.305 19828 792 1 12 . 1 1 15 15 ILE H H 15 7.857 7.857 8.433 -0.576 19828 793 1 13 . 1 1 2 2 LYS HA H 2 4.208 4.208 4.434 -0.226 19828 794 1 13 . 1 1 2 2 LYS CA C 2 57.604 57.604 55.285 2.319 19828 795 1 13 . 1 1 2 2 LYS CB C 2 32.800 32.800 31.508 1.292 19828 796 1 13 . 1 1 3 3 PHE N N 3 120.909 120.909 122.434 -1.525 19828 797 1 13 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.217 0.199 19828 798 1 13 . 1 1 3 3 PHE CA C 3 60.640 60.640 61.085 -0.445 19828 799 1 13 . 1 1 3 3 PHE CB C 3 38.442 38.442 39.501 -1.059 19828 800 1 13 . 1 1 3 3 PHE H H 3 8.980 8.980 8.013 0.967 19828 801 1 13 . 1 1 4 4 ARG N N 4 119.516 119.516 119.134 0.382 19828 802 1 13 . 1 1 4 4 ARG HA H 4 3.864 3.864 3.882 -0.018 19828 803 1 13 . 1 1 4 4 ARG CA C 4 59.263 59.263 59.175 0.088 19828 804 1 13 . 1 1 4 4 ARG CB C 4 29.457 29.457 29.466 -0.009 19828 805 1 13 . 1 1 4 4 ARG H H 4 8.986 8.986 8.540 0.446 19828 806 1 13 . 1 1 5 5 ARG N N 5 119.466 119.466 119.270 0.196 19828 807 1 13 . 1 1 5 5 ARG HA H 5 4.125 4.125 4.032 0.093 19828 808 1 13 . 1 1 5 5 ARG CA C 5 58.426 58.426 59.161 -0.735 19828 809 1 13 . 1 1 5 5 ARG CB C 5 29.266 29.266 29.104 0.162 19828 810 1 13 . 1 1 5 5 ARG H H 5 7.997 7.997 8.339 -0.342 19828 811 1 13 . 1 1 6 6 TYR N N 6 118.856 118.856 117.603 1.253 19828 812 1 13 . 1 1 6 6 TYR CB C 6 37.706 37.706 37.288 0.418 19828 813 1 13 . 1 1 6 6 TYR H H 6 7.995 7.995 7.306 0.689 19828 814 1 13 . 1 1 7 7 LEU N N 7 117.830 117.830 118.708 -0.878 19828 815 1 13 . 1 1 7 7 LEU HA H 7 4.136 4.136 4.175 -0.039 19828 816 1 13 . 1 1 7 7 LEU CA C 7 57.261 57.261 57.493 -0.232 19828 817 1 13 . 1 1 7 7 LEU CB C 7 41.612 41.612 40.840 0.772 19828 818 1 13 . 1 1 7 7 LEU H H 7 8.106 8.106 7.186 0.920 19828 819 1 13 . 1 1 8 8 SER N N 8 113.703 113.703 115.433 -1.730 19828 820 1 13 . 1 1 8 8 SER HA H 8 4.191 4.191 4.203 -0.012 19828 821 1 13 . 1 1 8 8 SER CA C 8 61.537 61.537 61.995 -0.458 19828 822 1 13 . 1 1 8 8 SER CB C 8 62.607 62.607 63.407 -0.800 19828 823 1 13 . 1 1 8 8 SER H H 8 8.090 8.090 7.828 0.262 19828 824 1 13 . 1 1 9 9 VAL N N 9 120.306 120.306 118.344 1.962 19828 825 1 13 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.792 -0.073 19828 826 1 13 . 1 1 9 9 VAL CA C 9 65.380 65.380 66.123 -0.743 19828 827 1 13 . 1 1 9 9 VAL CB C 9 31.412 31.412 31.186 0.227 19828 828 1 13 . 1 1 9 9 VAL H H 9 7.756 7.756 8.637 -0.881 19828 829 1 13 . 1 1 10 10 PHE N N 10 119.347 119.347 121.079 -1.732 19828 830 1 13 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.255 -0.041 19828 831 1 13 . 1 1 10 10 PHE CA C 10 60.757 60.757 61.998 -1.241 19828 832 1 13 . 1 1 10 10 PHE CB C 10 39.205 39.205 39.205 -0.000 19828 833 1 13 . 1 1 10 10 PHE H H 10 7.903 7.903 7.746 0.157 19828 834 1 13 . 1 1 11 11 PHE N N 11 116.549 116.549 117.893 -1.344 19828 835 1 13 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.553 -0.202 19828 836 1 13 . 1 1 11 11 PHE CA C 11 59.844 59.844 61.032 -1.188 19828 837 1 13 . 1 1 11 11 PHE CB C 11 38.992 38.992 39.308 -0.316 19828 838 1 13 . 1 1 11 11 PHE H H 11 8.353 8.353 7.987 0.366 19828 839 1 13 . 1 1 12 12 ARG N N 12 118.598 118.598 119.353 -0.755 19828 840 1 13 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.234 -0.109 19828 841 1 13 . 1 1 12 12 ARG CA C 12 57.755 57.755 57.714 0.041 19828 842 1 13 . 1 1 12 12 ARG CB C 12 29.799 29.799 29.884 -0.085 19828 843 1 13 . 1 1 12 12 ARG H H 12 8.054 8.054 7.740 0.314 19828 844 1 13 . 1 1 13 13 LYS N N 13 118.191 118.191 119.088 -0.897 19828 845 1 13 . 1 1 13 13 LYS HA H 13 4.107 4.107 4.044 0.063 19828 846 1 13 . 1 1 13 13 LYS CA C 13 56.948 56.948 58.623 -1.675 19828 847 1 13 . 1 1 13 13 LYS CB C 13 32.384 32.384 32.130 0.254 19828 848 1 13 . 1 1 13 13 LYS H H 13 7.985 7.985 8.298 -0.313 19828 849 1 13 . 1 1 14 14 HIS N N 14 116.316 116.316 115.385 0.931 19828 850 1 13 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.443 0.187 19828 851 1 13 . 1 1 14 14 HIS CA C 14 56.438 56.438 57.731 -1.293 19828 852 1 13 . 1 1 14 14 HIS CB C 14 30.785 30.785 30.364 0.420 19828 853 1 13 . 1 1 14 14 HIS H H 14 7.824 7.824 7.622 0.202 19828 854 1 13 . 1 1 15 15 ILE N N 15 119.074 119.074 120.667 -1.593 19828 855 1 13 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.872 0.442 19828 856 1 13 . 1 1 15 15 ILE CA C 15 60.556 60.556 64.160 -3.604 19828 857 1 13 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.188 -0.321 19828 858 1 13 . 1 1 15 15 ILE H H 15 7.857 7.857 8.326 -0.469 19828 859 1 14 . 1 1 2 2 LYS HA H 2 4.208 4.208 4.079 0.129 19828 860 1 14 . 1 1 2 2 LYS CA C 2 57.604 57.604 58.169 -0.565 19828 861 1 14 . 1 1 2 2 LYS CB C 2 32.800 32.800 32.337 0.463 19828 862 1 14 . 1 1 3 3 PHE N N 3 120.909 120.909 119.228 1.681 19828 863 1 14 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.497 -0.081 19828 864 1 14 . 1 1 3 3 PHE CA C 3 60.640 60.640 60.276 0.364 19828 865 1 14 . 1 1 3 3 PHE CB C 3 38.442 38.442 38.744 -0.302 19828 866 1 14 . 1 1 3 3 PHE H H 3 8.980 8.980 8.196 0.784 19828 867 1 14 . 1 1 4 4 ARG N N 4 119.516 119.516 118.239 1.277 19828 868 1 14 . 1 1 4 4 ARG HA H 4 3.864 3.864 4.065 -0.201 19828 869 1 14 . 1 1 4 4 ARG CA C 4 59.263 59.263 58.636 0.627 19828 870 1 14 . 1 1 4 4 ARG CB C 4 29.457 29.457 29.123 0.334 19828 871 1 14 . 1 1 4 4 ARG H H 4 8.986 8.986 8.369 0.617 19828 872 1 14 . 1 1 5 5 ARG N N 5 119.466 119.466 119.765 -0.299 19828 873 1 14 . 1 1 5 5 ARG HA H 5 4.125 4.125 4.112 0.013 19828 874 1 14 . 1 1 5 5 ARG CA C 5 58.426 58.426 58.315 0.111 19828 875 1 14 . 1 1 5 5 ARG CB C 5 29.266 29.266 29.220 0.046 19828 876 1 14 . 1 1 5 5 ARG H H 5 7.997 7.997 7.330 0.667 19828 877 1 14 . 1 1 6 6 TYR N N 6 118.856 118.856 117.826 1.030 19828 878 1 14 . 1 1 6 6 TYR CB C 6 37.706 37.706 37.454 0.252 19828 879 1 14 . 1 1 6 6 TYR H H 6 7.995 7.995 7.235 0.760 19828 880 1 14 . 1 1 7 7 LEU N N 7 117.830 117.830 118.570 -0.740 19828 881 1 14 . 1 1 7 7 LEU HA H 7 4.136 4.136 4.184 -0.048 19828 882 1 14 . 1 1 7 7 LEU CA C 7 57.261 57.261 57.057 0.204 19828 883 1 14 . 1 1 7 7 LEU CB C 7 41.612 41.612 41.012 0.600 19828 884 1 14 . 1 1 7 7 LEU H H 7 8.106 8.106 7.302 0.804 19828 885 1 14 . 1 1 8 8 SER N N 8 113.703 113.703 115.470 -1.767 19828 886 1 14 . 1 1 8 8 SER HA H 8 4.191 4.191 4.218 -0.027 19828 887 1 14 . 1 1 8 8 SER CA C 8 61.537 61.537 61.424 0.113 19828 888 1 14 . 1 1 8 8 SER CB C 8 62.607 62.607 63.473 -0.866 19828 889 1 14 . 1 1 8 8 SER H H 8 8.090 8.090 7.635 0.455 19828 890 1 14 . 1 1 9 9 VAL N N 9 120.306 120.306 119.177 1.129 19828 891 1 14 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.764 -0.045 19828 892 1 14 . 1 1 9 9 VAL CA C 9 65.380 65.380 65.833 -0.453 19828 893 1 14 . 1 1 9 9 VAL CB C 9 31.412 31.412 31.143 0.269 19828 894 1 14 . 1 1 9 9 VAL H H 9 7.756 7.756 8.439 -0.683 19828 895 1 14 . 1 1 10 10 PHE N N 10 119.347 119.347 120.980 -1.633 19828 896 1 14 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.393 -0.179 19828 897 1 14 . 1 1 10 10 PHE CA C 10 60.757 60.757 60.635 0.122 19828 898 1 14 . 1 1 10 10 PHE CB C 10 39.205 39.205 39.246 -0.041 19828 899 1 14 . 1 1 10 10 PHE H H 10 7.903 7.903 7.810 0.093 19828 900 1 14 . 1 1 11 11 PHE N N 11 116.549 116.549 118.969 -2.420 19828 901 1 14 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.249 0.102 19828 902 1 14 . 1 1 11 11 PHE CA C 11 59.844 59.844 59.713 0.131 19828 903 1 14 . 1 1 11 11 PHE CB C 11 38.992 38.992 39.241 -0.249 19828 904 1 14 . 1 1 11 11 PHE H H 11 8.353 8.353 8.165 0.188 19828 905 1 14 . 1 1 12 12 ARG N N 12 118.598 118.598 119.346 -0.748 19828 906 1 14 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.137 -0.012 19828 907 1 14 . 1 1 12 12 ARG CA C 12 57.755 57.755 58.565 -0.810 19828 908 1 14 . 1 1 12 12 ARG CB C 12 29.799 29.799 29.843 -0.044 19828 909 1 14 . 1 1 12 12 ARG H H 12 8.054 8.054 8.581 -0.527 19828 910 1 14 . 1 1 13 13 LYS N N 13 118.191 118.191 118.880 -0.689 19828 911 1 14 . 1 1 13 13 LYS HA H 13 4.107 4.107 4.032 0.075 19828 912 1 14 . 1 1 13 13 LYS CA C 13 56.948 56.948 58.865 -1.917 19828 913 1 14 . 1 1 13 13 LYS CB C 13 32.384 32.384 32.286 0.098 19828 914 1 14 . 1 1 13 13 LYS H H 13 7.985 7.985 7.927 0.058 19828 915 1 14 . 1 1 14 14 HIS N N 14 116.316 116.316 115.531 0.785 19828 916 1 14 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.396 0.234 19828 917 1 14 . 1 1 14 14 HIS CA C 14 56.438 56.438 57.595 -1.157 19828 918 1 14 . 1 1 14 14 HIS CB C 14 30.785 30.785 30.326 0.459 19828 919 1 14 . 1 1 14 14 HIS H H 14 7.824 7.824 7.814 0.010 19828 920 1 14 . 1 1 15 15 ILE N N 15 119.074 119.074 120.524 -1.450 19828 921 1 14 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.824 0.490 19828 922 1 14 . 1 1 15 15 ILE CA C 15 60.556 60.556 64.010 -3.454 19828 923 1 14 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.068 -0.201 19828 924 1 14 . 1 1 15 15 ILE H H 15 7.857 7.857 8.187 -0.330 19828 925 1 15 . 1 1 2 2 LYS HA H 2 4.208 4.208 4.520 -0.312 19828 926 1 15 . 1 1 2 2 LYS CA C 2 57.604 57.604 55.451 2.153 19828 927 1 15 . 1 1 2 2 LYS CB C 2 32.800 32.800 34.403 -1.603 19828 928 1 15 . 1 1 3 3 PHE N N 3 120.909 120.909 124.363 -3.454 19828 929 1 15 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.548 -0.132 19828 930 1 15 . 1 1 3 3 PHE CA C 3 60.640 60.640 60.174 0.466 19828 931 1 15 . 1 1 3 3 PHE CB C 3 38.442 38.442 39.638 -1.196 19828 932 1 15 . 1 1 3 3 PHE H H 3 8.980 8.980 8.821 0.159 19828 933 1 15 . 1 1 4 4 ARG N N 4 119.516 119.516 117.838 1.678 19828 934 1 15 . 1 1 4 4 ARG HA H 4 3.864 3.864 3.986 -0.122 19828 935 1 15 . 1 1 4 4 ARG CA C 4 59.263 59.263 59.299 -0.036 19828 936 1 15 . 1 1 4 4 ARG CB C 4 29.457 29.457 29.656 -0.199 19828 937 1 15 . 1 1 4 4 ARG H H 4 8.986 8.986 8.527 0.459 19828 938 1 15 . 1 1 5 5 ARG N N 5 119.466 119.466 120.028 -0.562 19828 939 1 15 . 1 1 5 5 ARG HA H 5 4.125 4.125 4.040 0.085 19828 940 1 15 . 1 1 5 5 ARG CA C 5 58.426 58.426 58.642 -0.216 19828 941 1 15 . 1 1 5 5 ARG CB C 5 29.266 29.266 29.381 -0.115 19828 942 1 15 . 1 1 5 5 ARG H H 5 7.997 7.997 7.352 0.645 19828 943 1 15 . 1 1 6 6 TYR N N 6 118.856 118.856 118.050 0.806 19828 944 1 15 . 1 1 6 6 TYR CB C 6 37.706 37.706 37.781 -0.074 19828 945 1 15 . 1 1 6 6 TYR H H 6 7.995 7.995 7.334 0.661 19828 946 1 15 . 1 1 7 7 LEU N N 7 117.830 117.830 117.262 0.568 19828 947 1 15 . 1 1 7 7 LEU HA H 7 4.136 4.136 4.165 -0.029 19828 948 1 15 . 1 1 7 7 LEU CA C 7 57.261 57.261 56.739 0.522 19828 949 1 15 . 1 1 7 7 LEU CB C 7 41.612 41.612 41.717 -0.105 19828 950 1 15 . 1 1 7 7 LEU H H 7 8.106 8.106 7.376 0.730 19828 951 1 15 . 1 1 8 8 SER N N 8 113.703 113.703 114.787 -1.084 19828 952 1 15 . 1 1 8 8 SER HA H 8 4.191 4.191 4.430 -0.239 19828 953 1 15 . 1 1 8 8 SER CA C 8 61.537 61.537 60.935 0.602 19828 954 1 15 . 1 1 8 8 SER CB C 8 62.607 62.607 63.787 -1.180 19828 955 1 15 . 1 1 8 8 SER H H 8 8.090 8.090 7.672 0.418 19828 956 1 15 . 1 1 9 9 VAL N N 9 120.306 120.306 119.128 1.178 19828 957 1 15 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.884 -0.165 19828 958 1 15 . 1 1 9 9 VAL CA C 9 65.380 65.380 65.959 -0.579 19828 959 1 15 . 1 1 9 9 VAL CB C 9 31.412 31.412 31.481 -0.069 19828 960 1 15 . 1 1 9 9 VAL H H 9 7.756 7.756 8.544 -0.788 19828 961 1 15 . 1 1 10 10 PHE N N 10 119.347 119.347 120.585 -1.238 19828 962 1 15 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.132 0.082 19828 963 1 15 . 1 1 10 10 PHE CA C 10 60.757 60.757 61.729 -0.972 19828 964 1 15 . 1 1 10 10 PHE CB C 10 39.205 39.205 39.291 -0.086 19828 965 1 15 . 1 1 10 10 PHE H H 10 7.903 7.903 7.896 0.007 19828 966 1 15 . 1 1 11 11 PHE N N 11 116.549 116.549 116.661 -0.112 19828 967 1 15 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.517 -0.166 19828 968 1 15 . 1 1 11 11 PHE CA C 11 59.844 59.844 61.439 -1.595 19828 969 1 15 . 1 1 11 11 PHE CB C 11 38.992 38.992 39.324 -0.332 19828 970 1 15 . 1 1 11 11 PHE H H 11 8.353 8.353 7.684 0.669 19828 971 1 15 . 1 1 12 12 ARG N N 12 118.598 118.598 118.153 0.445 19828 972 1 15 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.321 -0.196 19828 973 1 15 . 1 1 12 12 ARG CA C 12 57.755 57.755 57.481 0.274 19828 974 1 15 . 1 1 12 12 ARG CB C 12 29.799 29.799 30.132 -0.333 19828 975 1 15 . 1 1 12 12 ARG H H 12 8.054 8.054 7.602 0.452 19828 976 1 15 . 1 1 13 13 LYS N N 13 118.191 118.191 117.210 0.981 19828 977 1 15 . 1 1 13 13 LYS HA H 13 4.107 4.107 4.075 0.032 19828 978 1 15 . 1 1 13 13 LYS CA C 13 56.948 56.948 57.948 -1.000 19828 979 1 15 . 1 1 13 13 LYS CB C 13 32.384 32.384 32.217 0.167 19828 980 1 15 . 1 1 13 13 LYS H H 13 7.985 7.985 8.145 -0.160 19828 981 1 15 . 1 1 14 14 HIS N N 14 116.316 116.316 115.399 0.917 19828 982 1 15 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.515 0.115 19828 983 1 15 . 1 1 14 14 HIS CA C 14 56.438 56.438 57.076 -0.638 19828 984 1 15 . 1 1 14 14 HIS CB C 14 30.785 30.785 30.358 0.426 19828 985 1 15 . 1 1 14 14 HIS H H 14 7.824 7.824 7.331 0.493 19828 986 1 15 . 1 1 15 15 ILE N N 15 119.074 119.074 121.262 -2.188 19828 987 1 15 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.933 0.381 19828 988 1 15 . 1 1 15 15 ILE CA C 15 60.556 60.556 64.000 -3.444 19828 989 1 15 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.325 -0.458 19828 990 1 15 . 1 1 15 15 ILE H H 15 7.857 7.857 8.317 -0.460 19828 991 1 16 . 1 1 2 2 LYS HA H 2 4.208 4.208 4.385 -0.177 19828 992 1 16 . 1 1 2 2 LYS CA C 2 57.604 57.604 56.273 1.331 19828 993 1 16 . 1 1 2 2 LYS CB C 2 32.800 32.800 33.136 -0.336 19828 994 1 16 . 1 1 3 3 PHE N N 3 120.909 120.909 121.210 -0.301 19828 995 1 16 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.843 -0.427 19828 996 1 16 . 1 1 3 3 PHE CA C 3 60.640 60.640 59.587 1.053 19828 997 1 16 . 1 1 3 3 PHE CB C 3 38.442 38.442 39.307 -0.865 19828 998 1 16 . 1 1 3 3 PHE H H 3 8.980 8.980 8.126 0.854 19828 999 1 16 . 1 1 4 4 ARG N N 4 119.516 119.516 120.441 -0.925 19828 1000 1 16 . 1 1 4 4 ARG HA H 4 3.864 3.864 4.131 -0.267 19828 1001 1 16 . 1 1 4 4 ARG CA C 4 59.263 59.263 58.581 0.682 19828 1002 1 16 . 1 1 4 4 ARG CB C 4 29.457 29.457 29.047 0.410 19828 1003 1 16 . 1 1 4 4 ARG H H 4 8.986 8.986 8.421 0.565 19828 1004 1 16 . 1 1 5 5 ARG N N 5 119.466 119.466 119.300 0.166 19828 1005 1 16 . 1 1 5 5 ARG HA H 5 4.125 4.125 4.042 0.083 19828 1006 1 16 . 1 1 5 5 ARG CA C 5 58.426 58.426 58.781 -0.355 19828 1007 1 16 . 1 1 5 5 ARG CB C 5 29.266 29.266 29.140 0.126 19828 1008 1 16 . 1 1 5 5 ARG H H 5 7.997 7.997 8.371 -0.374 19828 1009 1 16 . 1 1 6 6 TYR N N 6 118.856 118.856 117.385 1.471 19828 1010 1 16 . 1 1 6 6 TYR CB C 6 37.706 37.706 37.626 0.080 19828 1011 1 16 . 1 1 6 6 TYR H H 6 7.995 7.995 7.411 0.584 19828 1012 1 16 . 1 1 7 7 LEU N N 7 117.830 117.830 117.859 -0.029 19828 1013 1 16 . 1 1 7 7 LEU HA H 7 4.136 4.136 4.077 0.059 19828 1014 1 16 . 1 1 7 7 LEU CA C 7 57.261 57.261 56.836 0.425 19828 1015 1 16 . 1 1 7 7 LEU CB C 7 41.612 41.612 40.932 0.680 19828 1016 1 16 . 1 1 7 7 LEU H H 7 8.106 8.106 7.173 0.933 19828 1017 1 16 . 1 1 8 8 SER N N 8 113.703 113.703 114.536 -0.833 19828 1018 1 16 . 1 1 8 8 SER HA H 8 4.191 4.191 4.368 -0.177 19828 1019 1 16 . 1 1 8 8 SER CA C 8 61.537 61.537 61.167 0.370 19828 1020 1 16 . 1 1 8 8 SER CB C 8 62.607 62.607 63.525 -0.918 19828 1021 1 16 . 1 1 8 8 SER H H 8 8.090 8.090 7.311 0.779 19828 1022 1 16 . 1 1 9 9 VAL N N 9 120.306 120.306 119.044 1.262 19828 1023 1 16 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.802 -0.083 19828 1024 1 16 . 1 1 9 9 VAL CA C 9 65.380 65.380 66.248 -0.868 19828 1025 1 16 . 1 1 9 9 VAL CB C 9 31.412 31.412 31.471 -0.059 19828 1026 1 16 . 1 1 9 9 VAL H H 9 7.756 7.756 8.483 -0.727 19828 1027 1 16 . 1 1 10 10 PHE N N 10 119.347 119.347 118.417 0.930 19828 1028 1 16 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.375 -0.161 19828 1029 1 16 . 1 1 10 10 PHE CA C 10 60.757 60.757 60.493 0.264 19828 1030 1 16 . 1 1 10 10 PHE CB C 10 39.205 39.205 38.961 0.244 19828 1031 1 16 . 1 1 10 10 PHE H H 10 7.903 7.903 8.051 -0.148 19828 1032 1 16 . 1 1 11 11 PHE N N 11 116.549 116.549 117.404 -0.855 19828 1033 1 16 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.450 -0.099 19828 1034 1 16 . 1 1 11 11 PHE CA C 11 59.844 59.844 60.360 -0.516 19828 1035 1 16 . 1 1 11 11 PHE CB C 11 38.992 38.992 39.370 -0.378 19828 1036 1 16 . 1 1 11 11 PHE H H 11 8.353 8.353 8.131 0.222 19828 1037 1 16 . 1 1 12 12 ARG N N 12 118.598 118.598 119.670 -1.072 19828 1038 1 16 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.193 -0.068 19828 1039 1 16 . 1 1 12 12 ARG CA C 12 57.755 57.755 58.672 -0.917 19828 1040 1 16 . 1 1 12 12 ARG CB C 12 29.799 29.799 29.853 -0.054 19828 1041 1 16 . 1 1 12 12 ARG H H 12 8.054 8.054 8.233 -0.179 19828 1042 1 16 . 1 1 13 13 LYS N N 13 118.191 118.191 117.674 0.517 19828 1043 1 16 . 1 1 13 13 LYS HA H 13 4.107 4.107 4.113 -0.006 19828 1044 1 16 . 1 1 13 13 LYS CA C 13 56.948 56.948 58.364 -1.417 19828 1045 1 16 . 1 1 13 13 LYS CB C 13 32.384 32.384 32.461 -0.077 19828 1046 1 16 . 1 1 13 13 LYS H H 13 7.985 7.985 7.971 0.014 19828 1047 1 16 . 1 1 14 14 HIS N N 14 116.316 116.316 115.767 0.549 19828 1048 1 16 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.509 0.121 19828 1049 1 16 . 1 1 14 14 HIS CA C 14 56.438 56.438 57.873 -1.435 19828 1050 1 16 . 1 1 14 14 HIS CB C 14 30.785 30.785 31.551 -0.766 19828 1051 1 16 . 1 1 14 14 HIS H H 14 7.824 7.824 7.866 -0.042 19828 1052 1 16 . 1 1 15 15 ILE N N 15 119.074 119.074 120.913 -1.839 19828 1053 1 16 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.972 0.342 19828 1054 1 16 . 1 1 15 15 ILE CA C 15 60.556 60.556 63.914 -3.358 19828 1055 1 16 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.157 -0.290 19828 1056 1 16 . 1 1 15 15 ILE H H 15 7.857 7.857 8.632 -0.775 19828 1057 1 17 . 1 1 2 2 LYS HA H 2 4.208 4.208 4.618 -0.410 19828 1058 1 17 . 1 1 2 2 LYS CA C 2 57.604 57.604 55.851 1.753 19828 1059 1 17 . 1 1 2 2 LYS CB C 2 32.800 32.800 32.401 0.399 19828 1060 1 17 . 1 1 3 3 PHE N N 3 120.909 120.909 123.350 -2.441 19828 1061 1 17 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.424 -0.008 19828 1062 1 17 . 1 1 3 3 PHE CA C 3 60.640 60.640 58.499 2.141 19828 1063 1 17 . 1 1 3 3 PHE CB C 3 38.442 38.442 39.223 -0.781 19828 1064 1 17 . 1 1 3 3 PHE H H 3 8.980 8.980 8.321 0.659 19828 1065 1 17 . 1 1 4 4 ARG N N 4 119.516 119.516 118.938 0.578 19828 1066 1 17 . 1 1 4 4 ARG HA H 4 3.864 3.864 3.822 0.042 19828 1067 1 17 . 1 1 4 4 ARG CA C 4 59.263 59.263 59.390 -0.127 19828 1068 1 17 . 1 1 4 4 ARG CB C 4 29.457 29.457 29.963 -0.506 19828 1069 1 17 . 1 1 4 4 ARG H H 4 8.986 8.986 8.345 0.641 19828 1070 1 17 . 1 1 5 5 ARG N N 5 119.466 119.466 119.275 0.191 19828 1071 1 17 . 1 1 5 5 ARG HA H 5 4.125 4.125 3.962 0.163 19828 1072 1 17 . 1 1 5 5 ARG CA C 5 58.426 58.426 58.990 -0.564 19828 1073 1 17 . 1 1 5 5 ARG CB C 5 29.266 29.266 29.149 0.117 19828 1074 1 17 . 1 1 5 5 ARG H H 5 7.997 7.997 7.733 0.264 19828 1075 1 17 . 1 1 6 6 TYR N N 6 118.856 118.856 117.105 1.751 19828 1076 1 17 . 1 1 6 6 TYR CB C 6 37.706 37.706 37.604 0.102 19828 1077 1 17 . 1 1 6 6 TYR H H 6 7.995 7.995 7.290 0.705 19828 1078 1 17 . 1 1 7 7 LEU N N 7 117.830 117.830 118.984 -1.154 19828 1079 1 17 . 1 1 7 7 LEU HA H 7 4.136 4.136 3.894 0.242 19828 1080 1 17 . 1 1 7 7 LEU CA C 7 57.261 57.261 57.268 -0.007 19828 1081 1 17 . 1 1 7 7 LEU CB C 7 41.612 41.612 41.627 -0.015 19828 1082 1 17 . 1 1 7 7 LEU H H 7 8.106 8.106 7.452 0.654 19828 1083 1 17 . 1 1 8 8 SER N N 8 113.703 113.703 115.394 -1.691 19828 1084 1 17 . 1 1 8 8 SER HA H 8 4.191 4.191 4.189 0.002 19828 1085 1 17 . 1 1 8 8 SER CA C 8 61.537 61.537 61.961 -0.424 19828 1086 1 17 . 1 1 8 8 SER CB C 8 62.607 62.607 63.451 -0.844 19828 1087 1 17 . 1 1 8 8 SER H H 8 8.090 8.090 7.954 0.136 19828 1088 1 17 . 1 1 9 9 VAL N N 9 120.306 120.306 119.102 1.204 19828 1089 1 17 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.763 -0.044 19828 1090 1 17 . 1 1 9 9 VAL CA C 9 65.380 65.380 66.112 -0.732 19828 1091 1 17 . 1 1 9 9 VAL CB C 9 31.412 31.412 31.429 -0.017 19828 1092 1 17 . 1 1 9 9 VAL H H 9 7.756 7.756 8.341 -0.585 19828 1093 1 17 . 1 1 10 10 PHE N N 10 119.347 119.347 120.539 -1.192 19828 1094 1 17 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.294 -0.080 19828 1095 1 17 . 1 1 10 10 PHE CA C 10 60.757 60.757 61.806 -1.049 19828 1096 1 17 . 1 1 10 10 PHE CB C 10 39.205 39.205 39.462 -0.257 19828 1097 1 17 . 1 1 10 10 PHE H H 10 7.903 7.903 7.631 0.272 19828 1098 1 17 . 1 1 11 11 PHE N N 11 116.549 116.549 118.134 -1.585 19828 1099 1 17 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.541 -0.190 19828 1100 1 17 . 1 1 11 11 PHE CA C 11 59.844 59.844 60.580 -0.736 19828 1101 1 17 . 1 1 11 11 PHE CB C 11 38.992 38.992 39.370 -0.378 19828 1102 1 17 . 1 1 11 11 PHE H H 11 8.353 8.353 8.024 0.329 19828 1103 1 17 . 1 1 12 12 ARG N N 12 118.598 118.598 119.462 -0.864 19828 1104 1 17 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.186 -0.061 19828 1105 1 17 . 1 1 12 12 ARG CA C 12 57.755 57.755 58.488 -0.733 19828 1106 1 17 . 1 1 12 12 ARG CB C 12 29.799 29.799 29.956 -0.157 19828 1107 1 17 . 1 1 12 12 ARG H H 12 8.054 8.054 8.131 -0.077 19828 1108 1 17 . 1 1 13 13 LYS N N 13 118.191 118.191 118.881 -0.690 19828 1109 1 17 . 1 1 13 13 LYS HA H 13 4.107 4.107 4.072 0.035 19828 1110 1 17 . 1 1 13 13 LYS CA C 13 56.948 56.948 58.792 -1.844 19828 1111 1 17 . 1 1 13 13 LYS CB C 13 32.384 32.384 32.347 0.037 19828 1112 1 17 . 1 1 13 13 LYS H H 13 7.985 7.985 8.091 -0.106 19828 1113 1 17 . 1 1 14 14 HIS N N 14 116.316 116.316 115.578 0.738 19828 1114 1 17 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.445 0.185 19828 1115 1 17 . 1 1 14 14 HIS CA C 14 56.438 56.438 57.527 -1.089 19828 1116 1 17 . 1 1 14 14 HIS CB C 14 30.785 30.785 30.714 0.071 19828 1117 1 17 . 1 1 14 14 HIS H H 14 7.824 7.824 7.826 -0.002 19828 1118 1 17 . 1 1 15 15 ILE N N 15 119.074 119.074 120.739 -1.665 19828 1119 1 17 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.863 0.451 19828 1120 1 17 . 1 1 15 15 ILE CA C 15 60.556 60.556 64.202 -3.646 19828 1121 1 17 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.187 -0.320 19828 1122 1 17 . 1 1 15 15 ILE H H 15 7.857 7.857 8.347 -0.490 19828 1123 1 18 . 1 1 2 2 LYS HA H 2 4.208 4.208 4.050 0.158 19828 1124 1 18 . 1 1 2 2 LYS CA C 2 57.604 57.604 58.543 -0.939 19828 1125 1 18 . 1 1 2 2 LYS CB C 2 32.800 32.800 32.172 0.628 19828 1126 1 18 . 1 1 3 3 PHE N N 3 120.909 120.909 121.347 -0.438 19828 1127 1 18 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.571 -0.155 19828 1128 1 18 . 1 1 3 3 PHE CA C 3 60.640 60.640 59.120 1.520 19828 1129 1 18 . 1 1 3 3 PHE CB C 3 38.442 38.442 38.797 -0.355 19828 1130 1 18 . 1 1 3 3 PHE H H 3 8.980 8.980 7.945 1.035 19828 1131 1 18 . 1 1 4 4 ARG N N 4 119.516 119.516 119.935 -0.419 19828 1132 1 18 . 1 1 4 4 ARG HA H 4 3.864 3.864 3.819 0.045 19828 1133 1 18 . 1 1 4 4 ARG CA C 4 59.263 59.263 59.157 0.106 19828 1134 1 18 . 1 1 4 4 ARG CB C 4 29.457 29.457 29.522 -0.065 19828 1135 1 18 . 1 1 4 4 ARG H H 4 8.986 8.986 8.390 0.596 19828 1136 1 18 . 1 1 5 5 ARG N N 5 119.466 119.466 118.963 0.503 19828 1137 1 18 . 1 1 5 5 ARG HA H 5 4.125 4.125 4.024 0.101 19828 1138 1 18 . 1 1 5 5 ARG CA C 5 58.426 58.426 58.944 -0.519 19828 1139 1 18 . 1 1 5 5 ARG CB C 5 29.266 29.266 29.262 0.003 19828 1140 1 18 . 1 1 5 5 ARG H H 5 7.997 7.997 7.763 0.234 19828 1141 1 18 . 1 1 6 6 TYR N N 6 118.856 118.856 117.279 1.577 19828 1142 1 18 . 1 1 6 6 TYR CB C 6 37.706 37.706 37.576 0.130 19828 1143 1 18 . 1 1 6 6 TYR H H 6 7.995 7.995 7.433 0.562 19828 1144 1 18 . 1 1 7 7 LEU N N 7 117.830 117.830 117.559 0.271 19828 1145 1 18 . 1 1 7 7 LEU HA H 7 4.136 4.136 3.920 0.216 19828 1146 1 18 . 1 1 7 7 LEU CA C 7 57.261 57.261 56.497 0.764 19828 1147 1 18 . 1 1 7 7 LEU CB C 7 41.612 41.612 41.498 0.114 19828 1148 1 18 . 1 1 7 7 LEU H H 7 8.106 8.106 7.098 1.008 19828 1149 1 18 . 1 1 8 8 SER N N 8 113.703 113.703 115.378 -1.675 19828 1150 1 18 . 1 1 8 8 SER HA H 8 4.191 4.191 4.404 -0.213 19828 1151 1 18 . 1 1 8 8 SER CA C 8 61.537 61.537 61.016 0.521 19828 1152 1 18 . 1 1 8 8 SER CB C 8 62.607 62.607 63.638 -1.031 19828 1153 1 18 . 1 1 8 8 SER H H 8 8.090 8.090 8.039 0.051 19828 1154 1 18 . 1 1 9 9 VAL N N 9 120.306 120.306 118.991 1.315 19828 1155 1 18 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.761 -0.042 19828 1156 1 18 . 1 1 9 9 VAL CA C 9 65.380 65.380 66.167 -0.787 19828 1157 1 18 . 1 1 9 9 VAL CB C 9 31.412 31.412 31.494 -0.082 19828 1158 1 18 . 1 1 9 9 VAL H H 9 7.756 7.756 8.533 -0.777 19828 1159 1 18 . 1 1 10 10 PHE N N 10 119.347 119.347 119.376 -0.029 19828 1160 1 18 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.308 -0.094 19828 1161 1 18 . 1 1 10 10 PHE CA C 10 60.757 60.757 60.654 0.103 19828 1162 1 18 . 1 1 10 10 PHE CB C 10 39.205 39.205 38.602 0.603 19828 1163 1 18 . 1 1 10 10 PHE H H 10 7.903 7.903 7.937 -0.034 19828 1164 1 18 . 1 1 11 11 PHE N N 11 116.549 116.549 117.546 -0.997 19828 1165 1 18 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.347 0.004 19828 1166 1 18 . 1 1 11 11 PHE CA C 11 59.844 59.844 61.369 -1.525 19828 1167 1 18 . 1 1 11 11 PHE CB C 11 38.992 38.992 38.790 0.202 19828 1168 1 18 . 1 1 11 11 PHE H H 11 8.353 8.353 8.672 -0.319 19828 1169 1 18 . 1 1 12 12 ARG N N 12 118.598 118.598 119.324 -0.726 19828 1170 1 18 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.278 -0.153 19828 1171 1 18 . 1 1 12 12 ARG CA C 12 57.755 57.755 57.626 0.130 19828 1172 1 18 . 1 1 12 12 ARG CB C 12 29.799 29.799 30.038 -0.239 19828 1173 1 18 . 1 1 12 12 ARG H H 12 8.054 8.054 7.827 0.227 19828 1174 1 18 . 1 1 13 13 LYS N N 13 118.191 118.191 117.895 0.296 19828 1175 1 18 . 1 1 13 13 LYS HA H 13 4.107 4.107 4.239 -0.132 19828 1176 1 18 . 1 1 13 13 LYS CA C 13 56.948 56.948 57.896 -0.948 19828 1177 1 18 . 1 1 13 13 LYS CB C 13 32.384 32.384 32.610 -0.226 19828 1178 1 18 . 1 1 13 13 LYS H H 13 7.985 7.985 8.313 -0.328 19828 1179 1 18 . 1 1 14 14 HIS N N 14 116.316 116.316 116.285 0.031 19828 1180 1 18 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.477 0.153 19828 1181 1 18 . 1 1 14 14 HIS CA C 14 56.438 56.438 58.042 -1.605 19828 1182 1 18 . 1 1 14 14 HIS CB C 14 30.785 30.785 31.404 -0.619 19828 1183 1 18 . 1 1 14 14 HIS H H 14 7.824 7.824 7.661 0.163 19828 1184 1 18 . 1 1 15 15 ILE N N 15 119.074 119.074 120.447 -1.373 19828 1185 1 18 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.992 0.322 19828 1186 1 18 . 1 1 15 15 ILE CA C 15 60.556 60.556 63.682 -3.126 19828 1187 1 18 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.483 -0.616 19828 1188 1 18 . 1 1 15 15 ILE H H 15 7.857 7.857 8.228 -0.371 19828 1189 1 19 . 1 1 2 2 LYS HA H 2 4.208 4.208 4.391 -0.183 19828 1190 1 19 . 1 1 2 2 LYS CA C 2 57.604 57.604 55.940 1.664 19828 1191 1 19 . 1 1 2 2 LYS CB C 2 32.800 32.800 32.790 0.010 19828 1192 1 19 . 1 1 3 3 PHE N N 3 120.909 120.909 121.188 -0.279 19828 1193 1 19 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.076 0.340 19828 1194 1 19 . 1 1 3 3 PHE CA C 3 60.640 60.640 60.037 0.603 19828 1195 1 19 . 1 1 3 3 PHE CB C 3 38.442 38.442 38.454 -0.012 19828 1196 1 19 . 1 1 3 3 PHE H H 3 8.980 8.980 8.537 0.443 19828 1197 1 19 . 1 1 4 4 ARG N N 4 119.516 119.516 118.619 0.897 19828 1198 1 19 . 1 1 4 4 ARG HA H 4 3.864 3.864 4.021 -0.157 19828 1199 1 19 . 1 1 4 4 ARG CA C 4 59.263 59.263 58.523 0.740 19828 1200 1 19 . 1 1 4 4 ARG CB C 4 29.457 29.457 29.314 0.143 19828 1201 1 19 . 1 1 4 4 ARG H H 4 8.986 8.986 7.475 1.511 19828 1202 1 19 . 1 1 5 5 ARG N N 5 119.466 119.466 118.861 0.605 19828 1203 1 19 . 1 1 5 5 ARG HA H 5 4.125 4.125 4.254 -0.129 19828 1204 1 19 . 1 1 5 5 ARG CA C 5 58.426 58.426 57.638 0.788 19828 1205 1 19 . 1 1 5 5 ARG CB C 5 29.266 29.266 29.644 -0.378 19828 1206 1 19 . 1 1 5 5 ARG H H 5 7.997 7.997 7.477 0.520 19828 1207 1 19 . 1 1 6 6 TYR N N 6 118.856 118.856 118.288 0.568 19828 1208 1 19 . 1 1 6 6 TYR CB C 6 37.706 37.706 37.811 -0.105 19828 1209 1 19 . 1 1 6 6 TYR H H 6 7.995 7.995 7.713 0.282 19828 1210 1 19 . 1 1 7 7 LEU N N 7 117.830 117.830 117.061 0.769 19828 1211 1 19 . 1 1 7 7 LEU HA H 7 4.136 4.136 4.358 -0.222 19828 1212 1 19 . 1 1 7 7 LEU CA C 7 57.261 57.261 57.002 0.259 19828 1213 1 19 . 1 1 7 7 LEU CB C 7 41.612 41.612 40.920 0.692 19828 1214 1 19 . 1 1 7 7 LEU H H 7 8.106 8.106 7.656 0.450 19828 1215 1 19 . 1 1 8 8 SER N N 8 113.703 113.703 114.998 -1.295 19828 1216 1 19 . 1 1 8 8 SER HA H 8 4.191 4.191 4.563 -0.372 19828 1217 1 19 . 1 1 8 8 SER CA C 8 61.537 61.537 61.235 0.302 19828 1218 1 19 . 1 1 8 8 SER CB C 8 62.607 62.607 64.381 -1.774 19828 1219 1 19 . 1 1 8 8 SER H H 8 8.090 8.090 7.824 0.266 19828 1220 1 19 . 1 1 9 9 VAL N N 9 120.306 120.306 119.973 0.333 19828 1221 1 19 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.727 -0.008 19828 1222 1 19 . 1 1 9 9 VAL CA C 9 65.380 65.380 66.164 -0.784 19828 1223 1 19 . 1 1 9 9 VAL CB C 9 31.412 31.412 31.261 0.152 19828 1224 1 19 . 1 1 9 9 VAL H H 9 7.756 7.756 8.514 -0.758 19828 1225 1 19 . 1 1 10 10 PHE N N 10 119.347 119.347 121.545 -2.198 19828 1226 1 19 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.190 0.024 19828 1227 1 19 . 1 1 10 10 PHE CA C 10 60.757 60.757 60.537 0.220 19828 1228 1 19 . 1 1 10 10 PHE CB C 10 39.205 39.205 38.992 0.213 19828 1229 1 19 . 1 1 10 10 PHE H H 10 7.903 7.903 7.748 0.155 19828 1230 1 19 . 1 1 11 11 PHE N N 11 116.549 116.549 117.201 -0.652 19828 1231 1 19 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.073 0.278 19828 1232 1 19 . 1 1 11 11 PHE CA C 11 59.844 59.844 61.178 -1.335 19828 1233 1 19 . 1 1 11 11 PHE CB C 11 38.992 38.992 38.916 0.076 19828 1234 1 19 . 1 1 11 11 PHE H H 11 8.353 8.353 8.411 -0.058 19828 1235 1 19 . 1 1 12 12 ARG N N 12 118.598 118.598 119.454 -0.856 19828 1236 1 19 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.240 -0.115 19828 1237 1 19 . 1 1 12 12 ARG CA C 12 57.755 57.755 57.633 0.122 19828 1238 1 19 . 1 1 12 12 ARG CB C 12 29.799 29.799 30.024 -0.225 19828 1239 1 19 . 1 1 12 12 ARG H H 12 8.054 8.054 7.669 0.385 19828 1240 1 19 . 1 1 13 13 LYS N N 13 118.191 118.191 117.916 0.275 19828 1241 1 19 . 1 1 13 13 LYS HA H 13 4.107 4.107 4.224 -0.117 19828 1242 1 19 . 1 1 13 13 LYS CA C 13 56.948 56.948 58.351 -1.403 19828 1243 1 19 . 1 1 13 13 LYS CB C 13 32.384 32.384 32.868 -0.484 19828 1244 1 19 . 1 1 13 13 LYS H H 13 7.985 7.985 8.277 -0.292 19828 1245 1 19 . 1 1 14 14 HIS N N 14 116.316 116.316 116.378 -0.062 19828 1246 1 19 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.383 0.247 19828 1247 1 19 . 1 1 14 14 HIS CA C 14 56.438 56.438 57.865 -1.427 19828 1248 1 19 . 1 1 14 14 HIS CB C 14 30.785 30.785 31.258 -0.473 19828 1249 1 19 . 1 1 14 14 HIS H H 14 7.824 7.824 7.582 0.242 19828 1250 1 19 . 1 1 15 15 ILE N N 15 119.074 119.074 120.322 -1.248 19828 1251 1 19 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.947 0.367 19828 1252 1 19 . 1 1 15 15 ILE CA C 15 60.556 60.556 63.539 -2.983 19828 1253 1 19 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.453 -0.585 19828 1254 1 19 . 1 1 15 15 ILE H H 15 7.857 7.857 8.102 -0.245 19828 1255 1 20 . 1 1 2 2 LYS HA H 2 4.208 4.208 4.652 -0.444 19828 1256 1 20 . 1 1 2 2 LYS CA C 2 57.604 57.604 55.931 1.673 19828 1257 1 20 . 1 1 2 2 LYS CB C 2 32.800 32.800 32.241 0.559 19828 1258 1 20 . 1 1 3 3 PHE N N 3 120.909 120.909 121.738 -0.829 19828 1259 1 20 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.584 -0.168 19828 1260 1 20 . 1 1 3 3 PHE CA C 3 60.640 60.640 59.596 1.044 19828 1261 1 20 . 1 1 3 3 PHE CB C 3 38.442 38.442 40.102 -1.660 19828 1262 1 20 . 1 1 3 3 PHE H H 3 8.980 8.980 8.472 0.508 19828 1263 1 20 . 1 1 4 4 ARG N N 4 119.516 119.516 119.761 -0.245 19828 1264 1 20 . 1 1 4 4 ARG HA H 4 3.864 3.864 4.091 -0.227 19828 1265 1 20 . 1 1 4 4 ARG CA C 4 59.263 59.263 57.943 1.320 19828 1266 1 20 . 1 1 4 4 ARG CB C 4 29.457 29.457 29.267 0.190 19828 1267 1 20 . 1 1 4 4 ARG H H 4 8.986 8.986 8.512 0.474 19828 1268 1 20 . 1 1 5 5 ARG N N 5 119.466 119.466 120.018 -0.552 19828 1269 1 20 . 1 1 5 5 ARG HA H 5 4.125 4.125 4.030 0.095 19828 1270 1 20 . 1 1 5 5 ARG CA C 5 58.426 58.426 59.181 -0.755 19828 1271 1 20 . 1 1 5 5 ARG CB C 5 29.266 29.266 28.912 0.354 19828 1272 1 20 . 1 1 5 5 ARG H H 5 7.997 7.997 8.516 -0.519 19828 1273 1 20 . 1 1 6 6 TYR N N 6 118.856 118.856 116.273 2.583 19828 1274 1 20 . 1 1 6 6 TYR CB C 6 37.706 37.706 37.616 0.090 19828 1275 1 20 . 1 1 6 6 TYR H H 6 7.995 7.995 7.452 0.543 19828 1276 1 20 . 1 1 7 7 LEU N N 7 117.830 117.830 117.882 -0.052 19828 1277 1 20 . 1 1 7 7 LEU HA H 7 4.136 4.136 4.475 -0.339 19828 1278 1 20 . 1 1 7 7 LEU CA C 7 57.261 57.261 57.311 -0.050 19828 1279 1 20 . 1 1 7 7 LEU CB C 7 41.612 41.612 42.019 -0.407 19828 1280 1 20 . 1 1 7 7 LEU H H 7 8.106 8.106 7.222 0.884 19828 1281 1 20 . 1 1 8 8 SER N N 8 113.703 113.703 115.051 -1.348 19828 1282 1 20 . 1 1 8 8 SER HA H 8 4.191 4.191 4.518 -0.327 19828 1283 1 20 . 1 1 8 8 SER CA C 8 61.537 61.537 61.121 0.416 19828 1284 1 20 . 1 1 8 8 SER CB C 8 62.607 62.607 63.632 -1.024 19828 1285 1 20 . 1 1 8 8 SER H H 8 8.090 8.090 7.896 0.194 19828 1286 1 20 . 1 1 9 9 VAL N N 9 120.306 120.306 120.480 -0.174 19828 1287 1 20 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.716 0.003 19828 1288 1 20 . 1 1 9 9 VAL CA C 9 65.380 65.380 65.492 -0.112 19828 1289 1 20 . 1 1 9 9 VAL CB C 9 31.412 31.412 30.308 1.104 19828 1290 1 20 . 1 1 9 9 VAL H H 9 7.756 7.756 8.624 -0.868 19828 1291 1 20 . 1 1 10 10 PHE N N 10 119.347 119.347 119.330 0.017 19828 1292 1 20 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.210 0.004 19828 1293 1 20 . 1 1 10 10 PHE CA C 10 60.757 60.757 61.452 -0.695 19828 1294 1 20 . 1 1 10 10 PHE CB C 10 39.205 39.205 38.648 0.557 19828 1295 1 20 . 1 1 10 10 PHE H H 10 7.903 7.903 7.758 0.145 19828 1296 1 20 . 1 1 11 11 PHE N N 11 116.549 116.549 117.629 -1.080 19828 1297 1 20 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.554 -0.203 19828 1298 1 20 . 1 1 11 11 PHE CA C 11 59.844 59.844 61.322 -1.478 19828 1299 1 20 . 1 1 11 11 PHE CB C 11 38.992 38.992 39.144 -0.152 19828 1300 1 20 . 1 1 11 11 PHE H H 11 8.353 8.353 8.489 -0.136 19828 1301 1 20 . 1 1 12 12 ARG N N 12 118.598 118.598 119.423 -0.825 19828 1302 1 20 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.272 -0.147 19828 1303 1 20 . 1 1 12 12 ARG CA C 12 57.755 57.755 57.392 0.363 19828 1304 1 20 . 1 1 12 12 ARG CB C 12 29.799 29.799 29.958 -0.159 19828 1305 1 20 . 1 1 12 12 ARG H H 12 8.054 8.054 7.840 0.214 19828 1306 1 20 . 1 1 13 13 LYS N N 13 118.191 118.191 117.836 0.355 19828 1307 1 20 . 1 1 13 13 LYS HA H 13 4.107 4.107 4.195 -0.088 19828 1308 1 20 . 1 1 13 13 LYS CA C 13 56.948 56.948 57.928 -0.980 19828 1309 1 20 . 1 1 13 13 LYS CB C 13 32.384 32.384 32.447 -0.063 19828 1310 1 20 . 1 1 13 13 LYS H H 13 7.985 7.985 8.257 -0.272 19828 1311 1 20 . 1 1 14 14 HIS N N 14 116.316 116.316 116.363 -0.047 19828 1312 1 20 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.567 0.063 19828 1313 1 20 . 1 1 14 14 HIS CA C 14 56.438 56.438 57.893 -1.455 19828 1314 1 20 . 1 1 14 14 HIS CB C 14 30.785 30.785 30.753 0.032 19828 1315 1 20 . 1 1 14 14 HIS H H 14 7.824 7.824 7.629 0.195 19828 1316 1 20 . 1 1 15 15 ILE N N 15 119.074 119.074 120.720 -1.646 19828 1317 1 20 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.987 0.327 19828 1318 1 20 . 1 1 15 15 ILE CA C 15 60.556 60.556 63.784 -3.228 19828 1319 1 20 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.367 -0.500 19828 1320 1 20 . 1 1 15 15 ILE H H 15 7.857 7.857 8.342 -0.485 19828 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 13 1.193 0.621 1.060 19828 2 1 1 "Average Difference" HA 13 0.182 -0.043 0.184 19828 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19828 4 1 1 "Average Difference" CA 13 1.356 0.430 1.338 19828 5 1 1 "Average Difference" CB 14 0.516 0.046 0.534 19828 6 1 1 "Average Difference" HN 13 0.532 -0.302 0.455 19828 7 1 2 "Average Difference" N 13 2.007 0.733 1.944 19828 8 1 2 "Average Difference" HA 13 0.237 -0.022 0.245 19828 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19828 10 1 2 "Average Difference" CA 13 1.426 0.470 1.401 19828 11 1 2 "Average Difference" CB 14 0.483 0.026 0.501 19828 12 1 2 "Average Difference" HN 13 0.559 -0.187 0.548 19828 13 1 3 "Average Difference" N 13 1.004 0.287 1.002 19828 14 1 3 "Average Difference" HA 13 0.190 0.005 0.198 19828 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19828 16 1 3 "Average Difference" CA 13 1.460 0.421 1.455 19828 17 1 3 "Average Difference" CB 14 0.600 -0.040 0.621 19828 18 1 3 "Average Difference" HN 13 0.589 -0.138 0.596 19828 19 1 4 "Average Difference" N 13 1.161 0.500 1.091 19828 20 1 4 "Average Difference" HA 13 0.221 -0.021 0.229 19828 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19828 22 1 4 "Average Difference" CA 13 1.380 0.254 1.412 19828 23 1 4 "Average Difference" CB 14 0.494 -0.028 0.512 19828 24 1 4 "Average Difference" HN 13 0.627 -0.287 0.580 19828 25 1 5 "Average Difference" N 13 0.954 0.305 0.941 19828 26 1 5 "Average Difference" HA 13 0.210 -0.025 0.217 19828 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19828 28 1 5 "Average Difference" CA 13 1.517 0.345 1.538 19828 29 1 5 "Average Difference" CB 14 0.643 0.251 0.614 19828 30 1 5 "Average Difference" HN 13 0.540 -0.151 0.540 19828 31 1 6 "Average Difference" N 13 0.998 0.380 0.961 19828 32 1 6 "Average Difference" HA 13 0.219 0.013 0.227 19828 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19828 34 1 6 "Average Difference" CA 13 1.385 0.204 1.426 19828 35 1 6 "Average Difference" CB 14 0.505 0.019 0.524 19828 36 1 6 "Average Difference" HN 13 0.574 -0.289 0.517 19828 37 1 7 "Average Difference" N 13 1.134 0.682 0.943 19828 38 1 7 "Average Difference" HA 13 0.212 -0.020 0.220 19828 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19828 40 1 7 "Average Difference" CA 13 1.463 0.415 1.460 19828 41 1 7 "Average Difference" CB 14 0.492 -0.036 0.509 19828 42 1 7 "Average Difference" HN 13 0.611 -0.215 0.596 19828 43 1 8 "Average Difference" N 13 1.432 0.096 1.487 19828 44 1 8 "Average Difference" HA 13 0.188 0.003 0.196 19828 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19828 46 1 8 "Average Difference" CA 13 1.511 0.327 1.535 19828 47 1 8 "Average Difference" CB 14 0.526 0.015 0.545 19828 48 1 8 "Average Difference" HN 13 0.631 -0.185 0.628 19828 49 1 9 "Average Difference" N 13 1.197 0.460 1.150 19828 50 1 9 "Average Difference" HA 13 0.211 -0.017 0.219 19828 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19828 52 1 9 "Average Difference" CA 13 1.474 0.351 1.490 19828 53 1 9 "Average Difference" CB 14 0.518 -0.005 0.538 19828 54 1 9 "Average Difference" HN 13 0.631 -0.308 0.574 19828 55 1 10 "Average Difference" N 13 1.697 0.527 1.679 19828 56 1 10 "Average Difference" HA 13 0.235 -0.000 0.245 19828 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19828 58 1 10 "Average Difference" CA 13 1.454 0.482 1.428 19828 59 1 10 "Average Difference" CB 14 0.570 -0.051 0.589 19828 60 1 10 "Average Difference" HN 13 0.574 -0.103 0.588 19828 61 1 11 "Average Difference" N 13 1.280 0.380 1.272 19828 62 1 11 "Average Difference" HA 13 0.207 -0.006 0.216 19828 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19828 64 1 11 "Average Difference" CA 13 1.473 0.468 1.454 19828 65 1 11 "Average Difference" CB 14 0.587 0.201 0.572 19828 66 1 11 "Average Difference" HN 13 0.504 -0.118 0.510 19828 67 1 12 "Average Difference" N 13 1.770 0.596 1.734 19828 68 1 12 "Average Difference" HA 13 0.193 0.006 0.201 19828 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19828 70 1 12 "Average Difference" CA 13 1.432 0.436 1.419 19828 71 1 12 "Average Difference" CB 14 0.507 0.093 0.517 19828 72 1 12 "Average Difference" HN 13 0.425 -0.152 0.413 19828 73 1 13 "Average Difference" N 13 1.279 0.441 1.250 19828 74 1 13 "Average Difference" HA 13 0.174 -0.020 0.180 19828 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19828 76 1 13 "Average Difference" CA 13 1.451 0.705 1.320 19828 77 1 13 "Average Difference" CB 14 0.581 -0.068 0.599 19828 78 1 13 "Average Difference" HN 13 0.557 -0.178 0.549 19828 79 1 14 "Average Difference" N 13 1.325 0.296 1.344 19828 80 1 14 "Average Difference" HA 13 0.178 -0.035 0.182 19828 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19828 82 1 14 "Average Difference" CA 13 1.201 0.514 1.130 19828 83 1 14 "Average Difference" CB 14 0.377 -0.058 0.387 19828 84 1 14 "Average Difference" HN 13 0.539 -0.223 0.510 19828 85 1 15 "Average Difference" N 13 1.439 0.159 1.489 19828 86 1 15 "Average Difference" HA 13 0.187 0.051 0.187 19828 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19828 88 1 15 "Average Difference" CA 13 1.321 0.343 1.328 19828 89 1 15 "Average Difference" CB 14 0.661 0.368 0.569 19828 90 1 15 "Average Difference" HN 13 0.523 -0.253 0.476 19828 91 1 16 "Average Difference" N 13 0.966 0.074 1.002 19828 92 1 16 "Average Difference" HA 13 0.197 0.066 0.193 19828 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19828 94 1 16 "Average Difference" CA 13 1.273 0.365 1.269 19828 95 1 16 "Average Difference" CB 14 0.481 0.157 0.472 19828 96 1 16 "Average Difference" HN 13 0.571 -0.131 0.579 19828 97 1 17 "Average Difference" N 13 1.345 0.525 1.289 19828 98 1 17 "Average Difference" HA 13 0.204 -0.025 0.211 19828 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19828 100 1 17 "Average Difference" CA 13 1.487 0.543 1.441 19828 101 1 17 "Average Difference" CB 14 0.388 0.182 0.355 19828 102 1 17 "Average Difference" HN 13 0.451 -0.185 0.428 19828 103 1 18 "Average Difference" N 13 0.929 0.128 0.957 19828 104 1 18 "Average Difference" HA 13 0.160 -0.016 0.166 19828 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19828 106 1 18 "Average Difference" CA 13 1.257 0.485 1.207 19828 107 1 18 "Average Difference" CB 14 0.455 0.111 0.458 19828 108 1 18 "Average Difference" HN 13 0.544 -0.158 0.542 19828 109 1 19 "Average Difference" N 13 0.944 0.242 0.949 19828 110 1 19 "Average Difference" HA 13 0.228 0.004 0.238 19828 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19828 112 1 19 "Average Difference" CA 13 1.235 0.249 1.259 19828 113 1 19 "Average Difference" CB 14 0.581 0.196 0.567 19828 114 1 19 "Average Difference" HN 13 0.559 -0.223 0.533 19828 115 1 20 "Average Difference" N 13 1.047 0.296 1.046 19828 116 1 20 "Average Difference" HA 13 0.230 0.112 0.210 19828 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19828 118 1 20 "Average Difference" CA 13 1.321 0.303 1.338 19828 119 1 20 "Average Difference" CB 14 0.670 0.077 0.691 19828 120 1 20 "Average Difference" HN 13 0.485 -0.067 0.499 19828 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 19828 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 LYS HA H 2 4.208 4.208 4.487 -0.279 19828 2 1 . 1 1 2 2 LYS CA C 2 57.604 57.604 55.920 1.684 19828 3 1 . 1 1 2 2 LYS CB C 2 32.800 32.800 32.749 0.051 19828 4 1 . 1 1 3 3 PHE N N 3 120.909 120.909 122.022 -1.113 19828 5 1 . 1 1 3 3 PHE HA H 3 4.416 4.416 4.467 -0.051 19828 6 1 . 1 1 3 3 PHE CA C 3 60.640 60.640 59.677 0.963 19828 7 1 . 1 1 3 3 PHE CB C 3 38.442 38.442 39.129 -0.687 19828 8 1 . 1 1 3 3 PHE H H 3 8.980 8.980 8.479 0.501 19828 9 1 . 1 1 4 4 ARG N N 4 119.516 119.516 119.423 0.093 19828 10 1 . 1 1 4 4 ARG HA H 4 3.864 3.864 3.804 0.060 19828 11 1 . 1 1 4 4 ARG CA C 4 59.263 59.263 58.750 0.513 19828 12 1 . 1 1 4 4 ARG CB C 4 29.457 29.457 29.212 0.245 19828 13 1 . 1 1 4 4 ARG H H 4 8.986 8.986 7.953 1.033 19828 14 1 . 1 1 5 5 ARG N N 5 119.466 119.466 119.479 -0.013 19828 15 1 . 1 1 5 5 ARG HA H 5 4.125 4.125 4.029 0.096 19828 16 1 . 1 1 5 5 ARG CA C 5 58.426 58.426 58.611 -0.185 19828 17 1 . 1 1 5 5 ARG CB C 5 29.266 29.266 29.242 0.024 19828 18 1 . 1 1 5 5 ARG H H 5 7.997 7.997 7.670 0.327 19828 19 1 . 1 1 6 6 TYR N N 6 118.856 118.856 117.634 1.222 19828 20 1 . 1 1 6 6 TYR CB C 6 37.706 37.706 37.701 0.005 19828 21 1 . 1 1 6 6 TYR H H 6 7.995 7.995 7.460 0.535 19828 22 1 . 1 1 7 7 LEU N N 7 117.830 117.830 117.994 -0.164 19828 23 1 . 1 1 7 7 LEU HA H 7 4.136 4.136 4.194 -0.058 19828 24 1 . 1 1 7 7 LEU CA C 7 57.261 57.261 57.096 0.165 19828 25 1 . 1 1 7 7 LEU CB C 7 41.612 41.612 41.420 0.192 19828 26 1 . 1 1 7 7 LEU H H 7 8.106 8.106 7.389 0.717 19828 27 1 . 1 1 8 8 SER N N 8 113.703 113.703 115.086 -1.383 19828 28 1 . 1 1 8 8 SER HA H 8 4.191 4.191 4.371 -0.180 19828 29 1 . 1 1 8 8 SER CA C 8 61.537 61.537 61.311 0.226 19828 30 1 . 1 1 8 8 SER CB C 8 62.607 62.607 63.742 -1.135 19828 31 1 . 1 1 8 8 SER H H 8 8.090 8.090 7.761 0.329 19828 32 1 . 1 1 9 9 VAL N N 9 120.306 120.306 119.396 0.910 19828 33 1 . 1 1 9 9 VAL HA H 9 3.719 3.719 3.777 -0.058 19828 34 1 . 1 1 9 9 VAL CA C 9 65.380 65.380 66.025 -0.645 19828 35 1 . 1 1 9 9 VAL CB C 9 31.412 31.412 31.167 0.245 19828 36 1 . 1 1 9 9 VAL H H 9 7.756 7.756 8.481 -0.725 19828 37 1 . 1 1 10 10 PHE N N 10 119.347 119.347 120.248 -0.901 19828 38 1 . 1 1 10 10 PHE HA H 10 4.214 4.214 4.282 -0.069 19828 39 1 . 1 1 10 10 PHE CA C 10 60.757 60.757 61.098 -0.341 19828 40 1 . 1 1 10 10 PHE CB C 10 39.205 39.205 38.899 0.306 19828 41 1 . 1 1 10 10 PHE H H 10 7.903 7.903 7.847 0.056 19828 42 1 . 1 1 11 11 PHE N N 11 116.549 116.549 118.176 -1.627 19828 43 1 . 1 1 11 11 PHE HA H 11 4.351 4.351 4.369 -0.018 19828 44 1 . 1 1 11 11 PHE CA C 11 59.844 59.844 61.053 -1.209 19828 45 1 . 1 1 11 11 PHE CB C 11 38.992 38.992 39.245 -0.253 19828 46 1 . 1 1 11 11 PHE H H 11 8.353 8.353 8.225 0.128 19828 47 1 . 1 1 12 12 ARG N N 12 118.598 118.598 119.356 -0.758 19828 48 1 . 1 1 12 12 ARG HA H 12 4.125 4.125 4.210 -0.085 19828 49 1 . 1 1 12 12 ARG CA C 12 57.755 57.755 57.746 0.009 19828 50 1 . 1 1 12 12 ARG CB C 12 29.799 29.799 29.768 0.031 19828 51 1 . 1 1 12 12 ARG H H 12 8.054 8.054 7.974 0.080 19828 52 1 . 1 1 13 13 LYS N N 13 118.191 118.191 118.669 -0.478 19828 53 1 . 1 1 13 13 LYS HA H 13 4.107 4.107 4.089 0.018 19828 54 1 . 1 1 13 13 LYS CA C 13 56.948 56.948 58.603 -1.655 19828 55 1 . 1 1 13 13 LYS CB C 13 32.384 32.384 32.316 0.068 19828 56 1 . 1 1 13 13 LYS H H 13 7.985 7.985 8.139 -0.154 19828 57 1 . 1 1 14 14 HIS N N 14 116.316 116.316 115.675 0.641 19828 58 1 . 1 1 14 14 HIS HA H 14 4.630 4.630 4.440 0.190 19828 59 1 . 1 1 14 14 HIS CA C 14 56.438 56.438 57.740 -1.302 19828 60 1 . 1 1 14 14 HIS CB C 14 30.785 30.785 30.539 0.246 19828 61 1 . 1 1 14 14 HIS H H 14 7.824 7.824 7.661 0.162 19828 62 1 . 1 1 15 15 ILE N N 15 119.074 119.074 120.525 -1.451 19828 63 1 . 1 1 15 15 ILE HA H 15 4.314 4.314 3.887 0.427 19828 64 1 . 1 1 15 15 ILE CA C 15 60.556 60.556 64.052 -3.496 19828 65 1 . 1 1 15 15 ILE CB C 15 37.867 37.867 38.224 -0.357 19828 66 1 . 1 1 15 15 ILE H H 15 7.857 7.857 8.344 -0.487 19828 stop_ save_