data_19437 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19437 _Entry.PDB_ID 2MCE 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 19437 _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 ALA HA H 2 4.370 4.370 4.364 0.006 19437 2 1 1 . 1 1 2 2 ALA H H 2 8.690 8.690 8.510 0.180 19437 3 1 1 . 1 1 3 3 GLY H H 3 8.340 8.340 8.671 -0.331 19437 4 1 1 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.476 0.274 19437 5 1 1 . 1 1 4 4 HIS H H 4 8.340 8.340 8.048 0.292 19437 6 1 1 . 1 1 5 5 GLY H H 5 8.520 8.520 7.870 0.650 19437 7 1 1 . 1 1 6 6 GLN HA H 6 4.370 4.370 4.092 0.278 19437 8 1 1 . 1 1 6 6 GLN H H 6 8.280 8.280 7.339 0.941 19437 9 1 1 . 1 1 7 7 ILE HA H 7 4.170 4.170 4.017 0.153 19437 10 1 1 . 1 1 7 7 ILE H H 7 8.230 8.230 7.308 0.922 19437 11 1 1 . 1 1 8 8 SER HA H 8 4.410 4.410 4.296 0.114 19437 12 1 1 . 1 1 8 8 SER H H 8 8.300 8.300 7.407 0.893 19437 13 1 1 . 1 1 9 9 HIS HA H 9 4.740 4.740 3.834 0.906 19437 14 1 1 . 1 1 9 9 HIS H H 9 8.550 8.550 7.565 0.985 19437 15 1 1 . 1 1 10 10 LYS HA H 10 4.280 4.280 4.173 0.107 19437 16 1 1 . 1 1 10 10 LYS H H 10 8.260 8.260 7.591 0.669 19437 17 1 1 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.373 -0.073 19437 18 1 1 . 1 1 11 11 ARG H H 11 8.370 8.370 7.865 0.505 19437 19 1 1 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.906 -0.156 19437 20 1 1 . 1 1 12 12 HIS H H 12 8.570 8.570 8.024 0.546 19437 21 1 1 . 1 1 13 13 LYS HA H 13 4.340 4.340 4.217 0.123 19437 22 1 1 . 1 1 13 13 LYS H H 13 8.650 8.650 7.554 1.096 19437 23 1 1 . 1 1 14 14 THR HA H 14 4.300 4.300 4.459 -0.159 19437 24 1 1 . 1 1 14 14 THR H H 14 8.190 8.190 7.577 0.613 19437 25 1 1 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.576 0.084 19437 26 1 1 . 1 1 15 15 ASP H H 15 8.370 8.370 7.637 0.733 19437 27 1 1 . 1 1 16 16 SER HA H 16 4.430 4.430 4.322 0.108 19437 28 1 1 . 1 1 16 16 SER H H 16 8.090 8.090 7.622 0.468 19437 29 1 1 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.410 0.039 19437 30 1 1 . 1 1 17 17 PHE H H 17 8.520 8.520 7.697 0.823 19437 31 1 1 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.876 -0.026 19437 32 1 1 . 1 1 18 18 VAL H H 18 7.930 7.930 7.325 0.605 19437 33 1 1 . 1 1 19 19 GLY H H 19 8.220 8.220 7.680 0.540 19437 34 1 1 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.444 -0.224 19437 35 1 1 . 1 1 20 20 LEU H H 20 7.850 7.850 7.641 0.209 19437 36 1 2 . 1 1 2 2 ALA HA H 2 4.370 4.370 4.298 0.072 19437 37 1 2 . 1 1 2 2 ALA H H 2 8.690 8.690 8.618 0.072 19437 38 1 2 . 1 1 3 3 GLY H H 3 8.340 8.340 8.850 -0.510 19437 39 1 2 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.372 0.378 19437 40 1 2 . 1 1 4 4 HIS H H 4 8.340 8.340 7.668 0.672 19437 41 1 2 . 1 1 5 5 GLY H H 5 8.520 8.520 7.896 0.624 19437 42 1 2 . 1 1 6 6 GLN HA H 6 4.370 4.370 4.186 0.184 19437 43 1 2 . 1 1 6 6 GLN H H 6 8.280 8.280 8.392 -0.112 19437 44 1 2 . 1 1 7 7 ILE HA H 7 4.170 4.170 3.894 0.276 19437 45 1 2 . 1 1 7 7 ILE H H 7 8.230 8.230 7.506 0.724 19437 46 1 2 . 1 1 8 8 SER HA H 8 4.410 4.410 4.289 0.121 19437 47 1 2 . 1 1 8 8 SER H H 8 8.300 8.300 8.312 -0.012 19437 48 1 2 . 1 1 9 9 HIS HA H 9 4.740 4.740 4.704 0.036 19437 49 1 2 . 1 1 9 9 HIS H H 9 8.550 8.550 8.175 0.375 19437 50 1 2 . 1 1 10 10 LYS HA H 10 4.280 4.280 4.108 0.172 19437 51 1 2 . 1 1 10 10 LYS H H 10 8.260 8.260 7.965 0.295 19437 52 1 2 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.125 0.175 19437 53 1 2 . 1 1 11 11 ARG H H 11 8.370 8.370 7.560 0.810 19437 54 1 2 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.597 0.153 19437 55 1 2 . 1 1 12 12 HIS H H 12 8.570 8.570 8.170 0.400 19437 56 1 2 . 1 1 13 13 LYS HA H 13 4.340 4.340 4.161 0.179 19437 57 1 2 . 1 1 13 13 LYS H H 13 8.650 8.650 7.880 0.770 19437 58 1 2 . 1 1 14 14 THR HA H 14 4.300 4.300 4.006 0.294 19437 59 1 2 . 1 1 14 14 THR H H 14 8.190 8.190 7.557 0.633 19437 60 1 2 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.603 0.057 19437 61 1 2 . 1 1 15 15 ASP H H 15 8.370 8.370 7.643 0.727 19437 62 1 2 . 1 1 16 16 SER HA H 16 4.430 4.430 4.382 0.048 19437 63 1 2 . 1 1 16 16 SER H H 16 8.090 8.090 7.583 0.507 19437 64 1 2 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.436 0.014 19437 65 1 2 . 1 1 17 17 PHE H H 17 8.520 8.520 7.800 0.720 19437 66 1 2 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.918 -0.068 19437 67 1 2 . 1 1 18 18 VAL H H 18 7.930 7.930 7.249 0.681 19437 68 1 2 . 1 1 19 19 GLY H H 19 8.220 8.220 7.775 0.445 19437 69 1 2 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.436 -0.216 19437 70 1 2 . 1 1 20 20 LEU H H 20 7.850 7.850 7.523 0.327 19437 71 1 3 . 1 1 2 2 ALA HA H 2 4.370 4.370 4.573 -0.203 19437 72 1 3 . 1 1 2 2 ALA H H 2 8.690 8.690 8.478 0.212 19437 73 1 3 . 1 1 3 3 GLY H H 3 8.340 8.340 8.461 -0.121 19437 74 1 3 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.413 0.337 19437 75 1 3 . 1 1 4 4 HIS H H 4 8.340 8.340 7.753 0.587 19437 76 1 3 . 1 1 5 5 GLY H H 5 8.520 8.520 7.902 0.618 19437 77 1 3 . 1 1 6 6 GLN HA H 6 4.370 4.370 4.095 0.275 19437 78 1 3 . 1 1 6 6 GLN H H 6 8.280 8.280 7.643 0.637 19437 79 1 3 . 1 1 7 7 ILE HA H 7 4.170 4.170 4.029 0.141 19437 80 1 3 . 1 1 7 7 ILE H H 7 8.230 8.230 7.500 0.730 19437 81 1 3 . 1 1 8 8 SER HA H 8 4.410 4.410 4.314 0.096 19437 82 1 3 . 1 1 8 8 SER H H 8 8.300 8.300 7.647 0.653 19437 83 1 3 . 1 1 9 9 HIS HA H 9 4.740 4.740 4.118 0.622 19437 84 1 3 . 1 1 9 9 HIS H H 9 8.550 8.550 7.661 0.889 19437 85 1 3 . 1 1 10 10 LYS HA H 10 4.280 4.280 4.122 0.158 19437 86 1 3 . 1 1 10 10 LYS H H 10 8.260 8.260 7.808 0.452 19437 87 1 3 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.262 0.038 19437 88 1 3 . 1 1 11 11 ARG H H 11 8.370 8.370 7.942 0.428 19437 89 1 3 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.667 0.083 19437 90 1 3 . 1 1 12 12 HIS H H 12 8.570 8.570 8.092 0.478 19437 91 1 3 . 1 1 13 13 LYS HA H 13 4.340 4.340 4.120 0.220 19437 92 1 3 . 1 1 13 13 LYS H H 13 8.650 8.650 7.631 1.019 19437 93 1 3 . 1 1 14 14 THR HA H 14 4.300 4.300 3.886 0.414 19437 94 1 3 . 1 1 14 14 THR H H 14 8.190 8.190 7.830 0.360 19437 95 1 3 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.573 0.087 19437 96 1 3 . 1 1 15 15 ASP H H 15 8.370 8.370 7.877 0.493 19437 97 1 3 . 1 1 16 16 SER HA H 16 4.430 4.430 4.362 0.068 19437 98 1 3 . 1 1 16 16 SER H H 16 8.090 8.090 7.506 0.584 19437 99 1 3 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.429 0.021 19437 100 1 3 . 1 1 17 17 PHE H H 17 8.520 8.520 7.773 0.747 19437 101 1 3 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.906 -0.056 19437 102 1 3 . 1 1 18 18 VAL H H 18 7.930 7.930 7.214 0.716 19437 103 1 3 . 1 1 19 19 GLY H H 19 8.220 8.220 7.938 0.282 19437 104 1 3 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.350 -0.130 19437 105 1 3 . 1 1 20 20 LEU H H 20 7.850 7.850 7.389 0.461 19437 106 1 4 . 1 1 2 2 ALA HA H 2 4.370 4.370 4.406 -0.036 19437 107 1 4 . 1 1 2 2 ALA H H 2 8.690 8.690 8.333 0.357 19437 108 1 4 . 1 1 3 3 GLY H H 3 8.340 8.340 8.696 -0.356 19437 109 1 4 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.309 0.441 19437 110 1 4 . 1 1 4 4 HIS H H 4 8.340 8.340 8.396 -0.056 19437 111 1 4 . 1 1 5 5 GLY H H 5 8.520 8.520 7.906 0.614 19437 112 1 4 . 1 1 6 6 GLN HA H 6 4.370 4.370 4.173 0.197 19437 113 1 4 . 1 1 6 6 GLN H H 6 8.280 8.280 8.087 0.193 19437 114 1 4 . 1 1 7 7 ILE HA H 7 4.170 4.170 3.891 0.279 19437 115 1 4 . 1 1 7 7 ILE H H 7 8.230 8.230 7.470 0.760 19437 116 1 4 . 1 1 8 8 SER HA H 8 4.410 4.410 4.190 0.220 19437 117 1 4 . 1 1 8 8 SER H H 8 8.300 8.300 7.882 0.418 19437 118 1 4 . 1 1 9 9 HIS HA H 9 4.740 4.740 4.796 -0.056 19437 119 1 4 . 1 1 9 9 HIS H H 9 8.550 8.550 7.506 1.044 19437 120 1 4 . 1 1 10 10 LYS HA H 10 4.280 4.280 4.158 0.122 19437 121 1 4 . 1 1 10 10 LYS H H 10 8.260 8.260 8.236 0.024 19437 122 1 4 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.182 0.118 19437 123 1 4 . 1 1 11 11 ARG H H 11 8.370 8.370 7.657 0.713 19437 124 1 4 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.526 0.224 19437 125 1 4 . 1 1 12 12 HIS H H 12 8.570 8.570 8.310 0.260 19437 126 1 4 . 1 1 13 13 LYS HA H 13 4.340 4.340 4.249 0.091 19437 127 1 4 . 1 1 13 13 LYS H H 13 8.650 8.650 8.136 0.514 19437 128 1 4 . 1 1 14 14 THR HA H 14 4.300 4.300 3.992 0.308 19437 129 1 4 . 1 1 14 14 THR H H 14 8.190 8.190 7.467 0.723 19437 130 1 4 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.633 0.027 19437 131 1 4 . 1 1 15 15 ASP H H 15 8.370 8.370 7.668 0.702 19437 132 1 4 . 1 1 16 16 SER HA H 16 4.430 4.430 4.385 0.045 19437 133 1 4 . 1 1 16 16 SER H H 16 8.090 8.090 7.610 0.480 19437 134 1 4 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.440 0.010 19437 135 1 4 . 1 1 17 17 PHE H H 17 8.520 8.520 7.802 0.718 19437 136 1 4 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.880 -0.030 19437 137 1 4 . 1 1 18 18 VAL H H 18 7.930 7.930 7.315 0.615 19437 138 1 4 . 1 1 19 19 GLY H H 19 8.220 8.220 7.738 0.482 19437 139 1 4 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.346 -0.126 19437 140 1 4 . 1 1 20 20 LEU H H 20 7.850 7.850 7.537 0.313 19437 141 1 5 . 1 1 2 2 ALA HA H 2 4.370 4.370 4.247 0.123 19437 142 1 5 . 1 1 2 2 ALA H H 2 8.690 8.690 8.468 0.222 19437 143 1 5 . 1 1 3 3 GLY H H 3 8.340 8.340 8.778 -0.438 19437 144 1 5 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.374 0.376 19437 145 1 5 . 1 1 4 4 HIS H H 4 8.340 8.340 8.094 0.246 19437 146 1 5 . 1 1 5 5 GLY H H 5 8.520 8.520 7.625 0.895 19437 147 1 5 . 1 1 6 6 GLN HA H 6 4.370 4.370 4.131 0.239 19437 148 1 5 . 1 1 6 6 GLN H H 6 8.280 8.280 7.883 0.397 19437 149 1 5 . 1 1 7 7 ILE HA H 7 4.170 4.170 4.005 0.165 19437 150 1 5 . 1 1 7 7 ILE H H 7 8.230 8.230 7.404 0.826 19437 151 1 5 . 1 1 8 8 SER HA H 8 4.410 4.410 4.329 0.081 19437 152 1 5 . 1 1 8 8 SER H H 8 8.300 8.300 7.762 0.538 19437 153 1 5 . 1 1 9 9 HIS HA H 9 4.740 4.740 4.474 0.266 19437 154 1 5 . 1 1 9 9 HIS H H 9 8.550 8.550 8.041 0.509 19437 155 1 5 . 1 1 10 10 LYS HA H 10 4.280 4.280 4.496 -0.216 19437 156 1 5 . 1 1 10 10 LYS H H 10 8.260 8.260 7.582 0.678 19437 157 1 5 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.261 0.039 19437 158 1 5 . 1 1 11 11 ARG H H 11 8.370 8.370 7.837 0.533 19437 159 1 5 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.385 0.365 19437 160 1 5 . 1 1 12 12 HIS H H 12 8.570 8.570 7.756 0.814 19437 161 1 5 . 1 1 13 13 LYS HA H 13 4.340 4.340 3.894 0.446 19437 162 1 5 . 1 1 13 13 LYS H H 13 8.650 8.650 7.101 1.549 19437 163 1 5 . 1 1 14 14 THR HA H 14 4.300 4.300 3.937 0.363 19437 164 1 5 . 1 1 14 14 THR H H 14 8.190 8.190 7.601 0.589 19437 165 1 5 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.641 0.019 19437 166 1 5 . 1 1 15 15 ASP H H 15 8.370 8.370 7.622 0.748 19437 167 1 5 . 1 1 16 16 SER HA H 16 4.430 4.430 4.369 0.061 19437 168 1 5 . 1 1 16 16 SER H H 16 8.090 8.090 7.465 0.625 19437 169 1 5 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.396 0.054 19437 170 1 5 . 1 1 17 17 PHE H H 17 8.520 8.520 7.814 0.706 19437 171 1 5 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.856 -0.006 19437 172 1 5 . 1 1 18 18 VAL H H 18 7.930 7.930 7.310 0.620 19437 173 1 5 . 1 1 19 19 GLY H H 19 8.220 8.220 7.636 0.584 19437 174 1 5 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.403 -0.183 19437 175 1 5 . 1 1 20 20 LEU H H 20 7.850 7.850 7.640 0.210 19437 176 1 6 . 1 1 2 2 ALA HA H 2 4.370 4.370 4.262 0.108 19437 177 1 6 . 1 1 2 2 ALA H H 2 8.690 8.690 8.647 0.043 19437 178 1 6 . 1 1 3 3 GLY H H 3 8.340 8.340 8.769 -0.429 19437 179 1 6 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.373 0.377 19437 180 1 6 . 1 1 4 4 HIS H H 4 8.340 8.340 7.821 0.519 19437 181 1 6 . 1 1 5 5 GLY H H 5 8.520 8.520 7.964 0.556 19437 182 1 6 . 1 1 6 6 GLN HA H 6 4.370 4.370 4.117 0.253 19437 183 1 6 . 1 1 6 6 GLN H H 6 8.280 8.280 7.923 0.357 19437 184 1 6 . 1 1 7 7 ILE HA H 7 4.170 4.170 3.894 0.276 19437 185 1 6 . 1 1 7 7 ILE H H 7 8.230 8.230 8.102 0.128 19437 186 1 6 . 1 1 8 8 SER HA H 8 4.410 4.410 4.250 0.160 19437 187 1 6 . 1 1 8 8 SER H H 8 8.300 8.300 7.754 0.546 19437 188 1 6 . 1 1 9 9 HIS HA H 9 4.740 4.740 4.282 0.458 19437 189 1 6 . 1 1 9 9 HIS H H 9 8.550 8.550 7.896 0.654 19437 190 1 6 . 1 1 10 10 LYS HA H 10 4.280 4.280 3.868 0.412 19437 191 1 6 . 1 1 10 10 LYS H H 10 8.260 8.260 8.225 0.035 19437 192 1 6 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.154 0.146 19437 193 1 6 . 1 1 11 11 ARG H H 11 8.370 8.370 7.565 0.805 19437 194 1 6 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.647 0.103 19437 195 1 6 . 1 1 12 12 HIS H H 12 8.570 8.570 7.839 0.731 19437 196 1 6 . 1 1 13 13 LYS HA H 13 4.340 4.340 4.226 0.114 19437 197 1 6 . 1 1 13 13 LYS H H 13 8.650 8.650 7.967 0.683 19437 198 1 6 . 1 1 14 14 THR HA H 14 4.300 4.300 4.200 0.100 19437 199 1 6 . 1 1 14 14 THR H H 14 8.190 8.190 7.822 0.368 19437 200 1 6 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.563 0.097 19437 201 1 6 . 1 1 15 15 ASP H H 15 8.370 8.370 7.658 0.712 19437 202 1 6 . 1 1 16 16 SER HA H 16 4.430 4.430 4.256 0.174 19437 203 1 6 . 1 1 16 16 SER H H 16 8.090 8.090 7.699 0.391 19437 204 1 6 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.479 -0.029 19437 205 1 6 . 1 1 17 17 PHE H H 17 8.520 8.520 7.513 1.007 19437 206 1 6 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.816 0.034 19437 207 1 6 . 1 1 18 18 VAL H H 18 7.930 7.930 7.503 0.427 19437 208 1 6 . 1 1 19 19 GLY H H 19 8.220 8.220 7.683 0.537 19437 209 1 6 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.295 -0.075 19437 210 1 6 . 1 1 20 20 LEU H H 20 7.850 7.850 7.647 0.203 19437 211 1 7 . 1 1 2 2 ALA HA H 2 4.370 4.370 4.294 0.076 19437 212 1 7 . 1 1 2 2 ALA H H 2 8.690 8.690 8.291 0.399 19437 213 1 7 . 1 1 3 3 GLY H H 3 8.340 8.340 8.810 -0.470 19437 214 1 7 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.379 0.371 19437 215 1 7 . 1 1 4 4 HIS H H 4 8.340 8.340 8.157 0.183 19437 216 1 7 . 1 1 5 5 GLY H H 5 8.520 8.520 7.604 0.916 19437 217 1 7 . 1 1 6 6 GLN HA H 6 4.370 4.370 4.039 0.331 19437 218 1 7 . 1 1 6 6 GLN H H 6 8.280 8.280 7.993 0.287 19437 219 1 7 . 1 1 7 7 ILE HA H 7 4.170 4.170 3.667 0.503 19437 220 1 7 . 1 1 7 7 ILE H H 7 8.230 8.230 7.302 0.928 19437 221 1 7 . 1 1 8 8 SER HA H 8 4.410 4.410 4.320 0.090 19437 222 1 7 . 1 1 8 8 SER H H 8 8.300 8.300 7.387 0.913 19437 223 1 7 . 1 1 9 9 HIS HA H 9 4.740 4.740 4.397 0.343 19437 224 1 7 . 1 1 9 9 HIS H H 9 8.550 8.550 7.462 1.088 19437 225 1 7 . 1 1 10 10 LYS HA H 10 4.280 4.280 4.288 -0.008 19437 226 1 7 . 1 1 10 10 LYS H H 10 8.260 8.260 7.559 0.701 19437 227 1 7 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.199 0.101 19437 228 1 7 . 1 1 11 11 ARG H H 11 8.370 8.370 7.798 0.572 19437 229 1 7 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.829 -0.079 19437 230 1 7 . 1 1 12 12 HIS H H 12 8.570 8.570 7.958 0.612 19437 231 1 7 . 1 1 13 13 LYS HA H 13 4.340 4.340 4.163 0.177 19437 232 1 7 . 1 1 13 13 LYS H H 13 8.650 8.650 8.119 0.531 19437 233 1 7 . 1 1 14 14 THR HA H 14 4.300 4.300 4.113 0.187 19437 234 1 7 . 1 1 14 14 THR H H 14 8.190 8.190 7.495 0.695 19437 235 1 7 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.585 0.075 19437 236 1 7 . 1 1 15 15 ASP H H 15 8.370 8.370 7.728 0.642 19437 237 1 7 . 1 1 16 16 SER HA H 16 4.430 4.430 4.373 0.057 19437 238 1 7 . 1 1 16 16 SER H H 16 8.090 8.090 7.478 0.612 19437 239 1 7 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.442 0.008 19437 240 1 7 . 1 1 17 17 PHE H H 17 8.520 8.520 7.750 0.769 19437 241 1 7 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.857 -0.007 19437 242 1 7 . 1 1 18 18 VAL H H 18 7.930 7.930 7.344 0.586 19437 243 1 7 . 1 1 19 19 GLY H H 19 8.220 8.220 7.606 0.614 19437 244 1 7 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.376 -0.156 19437 245 1 7 . 1 1 20 20 LEU H H 20 7.850 7.850 7.589 0.261 19437 246 1 8 . 1 1 2 2 ALA HA H 2 4.370 4.370 4.477 -0.107 19437 247 1 8 . 1 1 2 2 ALA H H 2 8.690 8.690 8.229 0.461 19437 248 1 8 . 1 1 3 3 GLY H H 3 8.340 8.340 8.525 -0.185 19437 249 1 8 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.401 0.349 19437 250 1 8 . 1 1 4 4 HIS H H 4 8.340 8.340 8.394 -0.054 19437 251 1 8 . 1 1 5 5 GLY H H 5 8.520 8.520 7.941 0.579 19437 252 1 8 . 1 1 6 6 GLN HA H 6 4.370 4.370 4.278 0.092 19437 253 1 8 . 1 1 6 6 GLN H H 6 8.280 8.280 7.988 0.292 19437 254 1 8 . 1 1 7 7 ILE HA H 7 4.170 4.170 3.971 0.199 19437 255 1 8 . 1 1 7 7 ILE H H 7 8.230 8.230 7.530 0.700 19437 256 1 8 . 1 1 8 8 SER HA H 8 4.410 4.410 4.424 -0.014 19437 257 1 8 . 1 1 8 8 SER H H 8 8.300 8.300 7.692 0.608 19437 258 1 8 . 1 1 9 9 HIS HA H 9 4.740 4.740 4.430 0.310 19437 259 1 8 . 1 1 9 9 HIS H H 9 8.550 8.550 7.969 0.581 19437 260 1 8 . 1 1 10 10 LYS HA H 10 4.280 4.280 4.266 0.014 19437 261 1 8 . 1 1 10 10 LYS H H 10 8.260 8.260 7.576 0.684 19437 262 1 8 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.193 0.107 19437 263 1 8 . 1 1 11 11 ARG H H 11 8.370 8.370 7.422 0.948 19437 264 1 8 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.416 0.334 19437 265 1 8 . 1 1 12 12 HIS H H 12 8.570 8.570 7.695 0.875 19437 266 1 8 . 1 1 13 13 LYS HA H 13 4.340 4.340 3.794 0.546 19437 267 1 8 . 1 1 13 13 LYS H H 13 8.650 8.650 7.547 1.103 19437 268 1 8 . 1 1 14 14 THR HA H 14 4.300 4.300 4.385 -0.085 19437 269 1 8 . 1 1 14 14 THR H H 14 8.190 8.190 7.496 0.694 19437 270 1 8 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.524 0.136 19437 271 1 8 . 1 1 15 15 ASP H H 15 8.370 8.370 8.390 -0.020 19437 272 1 8 . 1 1 16 16 SER HA H 16 4.430 4.430 4.263 0.167 19437 273 1 8 . 1 1 16 16 SER H H 16 8.090 8.090 7.430 0.660 19437 274 1 8 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.391 0.059 19437 275 1 8 . 1 1 17 17 PHE H H 17 8.520 8.520 7.472 1.048 19437 276 1 8 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.920 -0.070 19437 277 1 8 . 1 1 18 18 VAL H H 18 7.930 7.930 7.217 0.713 19437 278 1 8 . 1 1 19 19 GLY H H 19 8.220 8.220 7.914 0.306 19437 279 1 8 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.394 -0.174 19437 280 1 8 . 1 1 20 20 LEU H H 20 7.850 7.850 7.467 0.383 19437 281 1 9 . 1 1 2 2 ALA HA H 2 4.370 4.370 4.312 0.058 19437 282 1 9 . 1 1 2 2 ALA H H 2 8.690 8.690 8.396 0.294 19437 283 1 9 . 1 1 3 3 GLY H H 3 8.340 8.340 8.694 -0.354 19437 284 1 9 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.436 0.314 19437 285 1 9 . 1 1 4 4 HIS H H 4 8.340 8.340 8.211 0.129 19437 286 1 9 . 1 1 5 5 GLY H H 5 8.520 8.520 7.926 0.594 19437 287 1 9 . 1 1 6 6 GLN HA H 6 4.370 4.370 3.399 0.971 19437 288 1 9 . 1 1 6 6 GLN H H 6 8.280 8.280 7.700 0.580 19437 289 1 9 . 1 1 7 7 ILE HA H 7 4.170 4.170 3.911 0.259 19437 290 1 9 . 1 1 7 7 ILE H H 7 8.230 8.230 7.269 0.961 19437 291 1 9 . 1 1 8 8 SER HA H 8 4.410 4.410 4.385 0.025 19437 292 1 9 . 1 1 8 8 SER H H 8 8.300 8.300 8.231 0.069 19437 293 1 9 . 1 1 9 9 HIS HA H 9 4.740 4.740 4.793 -0.053 19437 294 1 9 . 1 1 9 9 HIS H H 9 8.550 8.550 7.533 1.017 19437 295 1 9 . 1 1 10 10 LYS HA H 10 4.280 4.280 4.141 0.139 19437 296 1 9 . 1 1 10 10 LYS H H 10 8.260 8.260 7.859 0.401 19437 297 1 9 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.178 0.122 19437 298 1 9 . 1 1 11 11 ARG H H 11 8.370 8.370 7.711 0.659 19437 299 1 9 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.887 -0.137 19437 300 1 9 . 1 1 12 12 HIS H H 12 8.570 8.570 8.081 0.489 19437 301 1 9 . 1 1 13 13 LYS HA H 13 4.340 4.340 4.252 0.088 19437 302 1 9 . 1 1 13 13 LYS H H 13 8.650 8.650 7.808 0.842 19437 303 1 9 . 1 1 14 14 THR HA H 14 4.300 4.300 4.197 0.103 19437 304 1 9 . 1 1 14 14 THR H H 14 8.190 8.190 7.461 0.729 19437 305 1 9 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.624 0.036 19437 306 1 9 . 1 1 15 15 ASP H H 15 8.370 8.370 7.614 0.756 19437 307 1 9 . 1 1 16 16 SER HA H 16 4.430 4.430 4.345 0.085 19437 308 1 9 . 1 1 16 16 SER H H 16 8.090 8.090 7.593 0.497 19437 309 1 9 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.442 0.008 19437 310 1 9 . 1 1 17 17 PHE H H 17 8.520 8.520 7.728 0.792 19437 311 1 9 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.606 0.244 19437 312 1 9 . 1 1 18 18 VAL H H 18 7.930 7.930 7.418 0.512 19437 313 1 9 . 1 1 19 19 GLY H H 19 8.220 8.220 7.586 0.634 19437 314 1 9 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.302 -0.082 19437 315 1 9 . 1 1 20 20 LEU H H 20 7.850 7.850 7.399 0.451 19437 316 1 10 . 1 1 2 2 ALA HA H 2 4.370 4.370 4.488 -0.118 19437 317 1 10 . 1 1 2 2 ALA H H 2 8.690 8.690 8.445 0.245 19437 318 1 10 . 1 1 3 3 GLY H H 3 8.340 8.340 8.719 -0.379 19437 319 1 10 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.364 0.386 19437 320 1 10 . 1 1 4 4 HIS H H 4 8.340 8.340 7.848 0.492 19437 321 1 10 . 1 1 5 5 GLY H H 5 8.520 8.520 7.949 0.571 19437 322 1 10 . 1 1 6 6 GLN HA H 6 4.370 4.370 4.095 0.275 19437 323 1 10 . 1 1 6 6 GLN H H 6 8.280 8.280 7.942 0.338 19437 324 1 10 . 1 1 7 7 ILE HA H 7 4.170 4.170 3.767 0.403 19437 325 1 10 . 1 1 7 7 ILE H H 7 8.230 8.230 7.439 0.791 19437 326 1 10 . 1 1 8 8 SER HA H 8 4.410 4.410 4.230 0.180 19437 327 1 10 . 1 1 8 8 SER H H 8 8.300 8.300 8.119 0.181 19437 328 1 10 . 1 1 9 9 HIS HA H 9 4.740 4.740 4.427 0.313 19437 329 1 10 . 1 1 9 9 HIS H H 9 8.550 8.550 7.971 0.579 19437 330 1 10 . 1 1 10 10 LYS HA H 10 4.280 4.280 4.208 0.072 19437 331 1 10 . 1 1 10 10 LYS H H 10 8.260 8.260 7.964 0.296 19437 332 1 10 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.207 0.093 19437 333 1 10 . 1 1 11 11 ARG H H 11 8.370 8.370 8.067 0.303 19437 334 1 10 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.393 0.357 19437 335 1 10 . 1 1 12 12 HIS H H 12 8.570 8.570 8.047 0.523 19437 336 1 10 . 1 1 13 13 LYS HA H 13 4.340 4.340 3.692 0.648 19437 337 1 10 . 1 1 13 13 LYS H H 13 8.650 8.650 7.363 1.287 19437 338 1 10 . 1 1 14 14 THR HA H 14 4.300 4.300 4.219 0.081 19437 339 1 10 . 1 1 14 14 THR H H 14 8.190 8.190 7.739 0.451 19437 340 1 10 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.624 0.036 19437 341 1 10 . 1 1 15 15 ASP H H 15 8.370 8.370 8.182 0.188 19437 342 1 10 . 1 1 16 16 SER HA H 16 4.430 4.430 4.327 0.103 19437 343 1 10 . 1 1 16 16 SER H H 16 8.090 8.090 7.501 0.589 19437 344 1 10 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.408 0.042 19437 345 1 10 . 1 1 17 17 PHE H H 17 8.520 8.520 7.660 0.860 19437 346 1 10 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.308 0.542 19437 347 1 10 . 1 1 18 18 VAL H H 18 7.930 7.930 7.213 0.717 19437 348 1 10 . 1 1 19 19 GLY H H 19 8.220 8.220 7.621 0.599 19437 349 1 10 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.381 -0.161 19437 350 1 10 . 1 1 20 20 LEU H H 20 7.850 7.850 7.451 0.399 19437 351 1 11 . 1 1 2 2 ALA HA H 2 4.370 4.370 4.430 -0.060 19437 352 1 11 . 1 1 2 2 ALA H H 2 8.690 8.690 8.183 0.507 19437 353 1 11 . 1 1 3 3 GLY H H 3 8.340 8.340 8.852 -0.512 19437 354 1 11 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.491 0.259 19437 355 1 11 . 1 1 4 4 HIS H H 4 8.340 8.340 7.719 0.621 19437 356 1 11 . 1 1 5 5 GLY H H 5 8.520 8.520 8.069 0.451 19437 357 1 11 . 1 1 6 6 GLN HA H 6 4.370 4.370 4.096 0.274 19437 358 1 11 . 1 1 6 6 GLN H H 6 8.280 8.280 7.602 0.678 19437 359 1 11 . 1 1 7 7 ILE HA H 7 4.170 4.170 3.949 0.221 19437 360 1 11 . 1 1 7 7 ILE H H 7 8.230 8.230 7.428 0.802 19437 361 1 11 . 1 1 8 8 SER HA H 8 4.410 4.410 4.415 -0.005 19437 362 1 11 . 1 1 8 8 SER H H 8 8.300 8.300 8.396 -0.096 19437 363 1 11 . 1 1 9 9 HIS HA H 9 4.740 4.740 3.544 1.196 19437 364 1 11 . 1 1 9 9 HIS H H 9 8.550 8.550 7.697 0.853 19437 365 1 11 . 1 1 10 10 LYS HA H 10 4.280 4.280 3.920 0.360 19437 366 1 11 . 1 1 10 10 LYS H H 10 8.260 8.260 7.765 0.495 19437 367 1 11 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.346 -0.046 19437 368 1 11 . 1 1 11 11 ARG H H 11 8.370 8.370 7.558 0.812 19437 369 1 11 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.867 -0.117 19437 370 1 11 . 1 1 12 12 HIS H H 12 8.570 8.570 7.672 0.898 19437 371 1 11 . 1 1 13 13 LYS HA H 13 4.340 4.340 4.113 0.227 19437 372 1 11 . 1 1 13 13 LYS H H 13 8.650 8.650 7.684 0.966 19437 373 1 11 . 1 1 14 14 THR HA H 14 4.300 4.300 4.454 -0.154 19437 374 1 11 . 1 1 14 14 THR H H 14 8.190 8.190 7.718 0.472 19437 375 1 11 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.609 0.051 19437 376 1 11 . 1 1 15 15 ASP H H 15 8.370 8.370 7.901 0.469 19437 377 1 11 . 1 1 16 16 SER HA H 16 4.430 4.430 4.313 0.117 19437 378 1 11 . 1 1 16 16 SER H H 16 8.090 8.090 7.570 0.520 19437 379 1 11 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.398 0.052 19437 380 1 11 . 1 1 17 17 PHE H H 17 8.520 8.520 7.683 0.837 19437 381 1 11 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.814 0.036 19437 382 1 11 . 1 1 18 18 VAL H H 18 7.930 7.930 7.343 0.587 19437 383 1 11 . 1 1 19 19 GLY H H 19 8.220 8.220 7.639 0.581 19437 384 1 11 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.390 -0.170 19437 385 1 11 . 1 1 20 20 LEU H H 20 7.850 7.850 7.729 0.121 19437 386 1 12 . 1 1 2 2 ALA HA H 2 4.370 4.370 4.462 -0.092 19437 387 1 12 . 1 1 2 2 ALA H H 2 8.690 8.690 8.197 0.493 19437 388 1 12 . 1 1 3 3 GLY H H 3 8.340 8.340 8.846 -0.506 19437 389 1 12 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.498 0.252 19437 390 1 12 . 1 1 4 4 HIS H H 4 8.340 8.340 7.693 0.647 19437 391 1 12 . 1 1 5 5 GLY H H 5 8.520 8.520 8.001 0.519 19437 392 1 12 . 1 1 6 6 GLN HA H 6 4.370 4.370 4.113 0.257 19437 393 1 12 . 1 1 6 6 GLN H H 6 8.280 8.280 7.553 0.727 19437 394 1 12 . 1 1 7 7 ILE HA H 7 4.170 4.170 3.827 0.343 19437 395 1 12 . 1 1 7 7 ILE H H 7 8.230 8.230 7.345 0.885 19437 396 1 12 . 1 1 8 8 SER HA H 8 4.410 4.410 4.327 0.083 19437 397 1 12 . 1 1 8 8 SER H H 8 8.300 8.300 8.059 0.241 19437 398 1 12 . 1 1 9 9 HIS HA H 9 4.740 4.740 4.366 0.374 19437 399 1 12 . 1 1 9 9 HIS H H 9 8.550 8.550 7.961 0.589 19437 400 1 12 . 1 1 10 10 LYS HA H 10 4.280 4.280 4.000 0.280 19437 401 1 12 . 1 1 10 10 LYS H H 10 8.260 8.260 7.637 0.623 19437 402 1 12 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.211 0.089 19437 403 1 12 . 1 1 11 11 ARG H H 11 8.370 8.370 7.568 0.802 19437 404 1 12 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.791 -0.041 19437 405 1 12 . 1 1 12 12 HIS H H 12 8.570 8.570 8.158 0.412 19437 406 1 12 . 1 1 13 13 LYS HA H 13 4.340 4.340 4.176 0.164 19437 407 1 12 . 1 1 13 13 LYS H H 13 8.650 8.650 8.001 0.649 19437 408 1 12 . 1 1 14 14 THR HA H 14 4.300 4.300 4.428 -0.128 19437 409 1 12 . 1 1 14 14 THR H H 14 8.190 8.190 7.763 0.427 19437 410 1 12 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.621 0.039 19437 411 1 12 . 1 1 15 15 ASP H H 15 8.370 8.370 7.696 0.674 19437 412 1 12 . 1 1 16 16 SER HA H 16 4.430 4.430 4.320 0.110 19437 413 1 12 . 1 1 16 16 SER H H 16 8.090 8.090 7.590 0.500 19437 414 1 12 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.385 0.065 19437 415 1 12 . 1 1 17 17 PHE H H 17 8.520 8.520 7.706 0.814 19437 416 1 12 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.827 0.023 19437 417 1 12 . 1 1 18 18 VAL H H 18 7.930 7.930 7.355 0.575 19437 418 1 12 . 1 1 19 19 GLY H H 19 8.220 8.220 7.638 0.582 19437 419 1 12 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.453 -0.233 19437 420 1 12 . 1 1 20 20 LEU H H 20 7.850 7.850 7.758 0.092 19437 421 1 13 . 1 1 2 2 ALA HA H 2 4.370 4.370 4.419 -0.049 19437 422 1 13 . 1 1 2 2 ALA H H 2 8.690 8.690 8.185 0.505 19437 423 1 13 . 1 1 3 3 GLY H H 3 8.340 8.340 8.804 -0.464 19437 424 1 13 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.534 0.216 19437 425 1 13 . 1 1 4 4 HIS H H 4 8.340 8.340 7.706 0.634 19437 426 1 13 . 1 1 5 5 GLY H H 5 8.520 8.520 7.988 0.532 19437 427 1 13 . 1 1 6 6 GLN HA H 6 4.370 4.370 4.082 0.288 19437 428 1 13 . 1 1 6 6 GLN H H 6 8.280 8.280 7.787 0.493 19437 429 1 13 . 1 1 7 7 ILE HA H 7 4.170 4.170 3.988 0.182 19437 430 1 13 . 1 1 7 7 ILE H H 7 8.230 8.230 7.340 0.890 19437 431 1 13 . 1 1 8 8 SER HA H 8 4.410 4.410 4.459 -0.049 19437 432 1 13 . 1 1 8 8 SER H H 8 8.300 8.300 8.298 0.002 19437 433 1 13 . 1 1 9 9 HIS HA H 9 4.740 4.740 4.465 0.275 19437 434 1 13 . 1 1 9 9 HIS H H 9 8.550 8.550 7.880 0.670 19437 435 1 13 . 1 1 10 10 LYS HA H 10 4.280 4.280 4.411 -0.131 19437 436 1 13 . 1 1 10 10 LYS H H 10 8.260 8.260 7.592 0.668 19437 437 1 13 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.240 0.060 19437 438 1 13 . 1 1 11 11 ARG H H 11 8.370 8.370 7.734 0.636 19437 439 1 13 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.412 0.338 19437 440 1 13 . 1 1 12 12 HIS H H 12 8.570 8.570 7.964 0.606 19437 441 1 13 . 1 1 13 13 LYS HA H 13 4.340 4.340 3.945 0.395 19437 442 1 13 . 1 1 13 13 LYS H H 13 8.650 8.650 7.376 1.274 19437 443 1 13 . 1 1 14 14 THR HA H 14 4.300 4.300 4.330 -0.030 19437 444 1 13 . 1 1 14 14 THR H H 14 8.190 8.190 7.688 0.502 19437 445 1 13 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.622 0.038 19437 446 1 13 . 1 1 15 15 ASP H H 15 8.370 8.370 7.534 0.836 19437 447 1 13 . 1 1 16 16 SER HA H 16 4.430 4.430 4.306 0.124 19437 448 1 13 . 1 1 16 16 SER H H 16 8.090 8.090 7.430 0.660 19437 449 1 13 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.416 0.034 19437 450 1 13 . 1 1 17 17 PHE H H 17 8.520 8.520 7.606 0.914 19437 451 1 13 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.927 -0.077 19437 452 1 13 . 1 1 18 18 VAL H H 18 7.930 7.930 7.190 0.740 19437 453 1 13 . 1 1 19 19 GLY H H 19 8.220 8.220 7.898 0.322 19437 454 1 13 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.306 -0.086 19437 455 1 13 . 1 1 20 20 LEU H H 20 7.850 7.850 7.466 0.384 19437 456 1 14 . 1 1 2 2 ALA HA H 2 4.370 4.370 4.657 -0.287 19437 457 1 14 . 1 1 2 2 ALA H H 2 8.690 8.690 8.247 0.443 19437 458 1 14 . 1 1 3 3 GLY H H 3 8.340 8.340 8.964 -0.624 19437 459 1 14 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.399 0.351 19437 460 1 14 . 1 1 4 4 HIS H H 4 8.340 8.340 7.700 0.640 19437 461 1 14 . 1 1 5 5 GLY H H 5 8.520 8.520 7.673 0.847 19437 462 1 14 . 1 1 6 6 GLN HA H 6 4.370 4.370 4.286 0.084 19437 463 1 14 . 1 1 6 6 GLN H H 6 8.280 8.280 7.816 0.464 19437 464 1 14 . 1 1 7 7 ILE HA H 7 4.170 4.170 3.850 0.320 19437 465 1 14 . 1 1 7 7 ILE H H 7 8.230 8.230 7.507 0.723 19437 466 1 14 . 1 1 8 8 SER HA H 8 4.410 4.410 4.332 0.078 19437 467 1 14 . 1 1 8 8 SER H H 8 8.300 8.300 7.549 0.751 19437 468 1 14 . 1 1 9 9 HIS HA H 9 4.740 4.740 4.357 0.383 19437 469 1 14 . 1 1 9 9 HIS H H 9 8.550 8.550 7.976 0.574 19437 470 1 14 . 1 1 10 10 LYS HA H 10 4.280 4.280 3.738 0.542 19437 471 1 14 . 1 1 10 10 LYS H H 10 8.260 8.260 7.259 1.001 19437 472 1 14 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.061 0.239 19437 473 1 14 . 1 1 11 11 ARG H H 11 8.370 8.370 7.204 1.166 19437 474 1 14 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.841 -0.091 19437 475 1 14 . 1 1 12 12 HIS H H 12 8.570 8.570 7.422 1.148 19437 476 1 14 . 1 1 13 13 LYS HA H 13 4.340 4.340 4.159 0.181 19437 477 1 14 . 1 1 13 13 LYS H H 13 8.650 8.650 8.076 0.574 19437 478 1 14 . 1 1 14 14 THR HA H 14 4.300 4.300 4.150 0.150 19437 479 1 14 . 1 1 14 14 THR H H 14 8.190 8.190 7.856 0.334 19437 480 1 14 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.619 0.041 19437 481 1 14 . 1 1 15 15 ASP H H 15 8.370 8.370 7.519 0.851 19437 482 1 14 . 1 1 16 16 SER HA H 16 4.430 4.430 4.374 0.056 19437 483 1 14 . 1 1 16 16 SER H H 16 8.090 8.090 7.586 0.504 19437 484 1 14 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.429 0.021 19437 485 1 14 . 1 1 17 17 PHE H H 17 8.520 8.520 7.728 0.792 19437 486 1 14 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.795 0.055 19437 487 1 14 . 1 1 18 18 VAL H H 18 7.930 7.930 7.314 0.616 19437 488 1 14 . 1 1 19 19 GLY H H 19 8.220 8.220 7.673 0.547 19437 489 1 14 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.387 -0.167 19437 490 1 14 . 1 1 20 20 LEU H H 20 7.850 7.850 7.566 0.284 19437 491 1 15 . 1 1 2 2 ALA HA H 2 4.370 4.370 4.543 -0.173 19437 492 1 15 . 1 1 2 2 ALA H H 2 8.690 8.690 8.210 0.480 19437 493 1 15 . 1 1 3 3 GLY H H 3 8.340 8.340 8.922 -0.582 19437 494 1 15 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.430 0.320 19437 495 1 15 . 1 1 4 4 HIS H H 4 8.340 8.340 7.625 0.715 19437 496 1 15 . 1 1 5 5 GLY H H 5 8.520 8.520 7.682 0.838 19437 497 1 15 . 1 1 6 6 GLN HA H 6 4.370 4.370 4.099 0.271 19437 498 1 15 . 1 1 6 6 GLN H H 6 8.280 8.280 7.684 0.596 19437 499 1 15 . 1 1 7 7 ILE HA H 7 4.170 4.170 3.965 0.205 19437 500 1 15 . 1 1 7 7 ILE H H 7 8.230 8.230 7.367 0.863 19437 501 1 15 . 1 1 8 8 SER HA H 8 4.410 4.410 4.303 0.107 19437 502 1 15 . 1 1 8 8 SER H H 8 8.300 8.300 7.747 0.553 19437 503 1 15 . 1 1 9 9 HIS HA H 9 4.740 4.740 4.521 0.219 19437 504 1 15 . 1 1 9 9 HIS H H 9 8.550 8.550 8.393 0.157 19437 505 1 15 . 1 1 10 10 LYS HA H 10 4.280 4.280 3.886 0.394 19437 506 1 15 . 1 1 10 10 LYS H H 10 8.260 8.260 7.863 0.397 19437 507 1 15 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.193 0.107 19437 508 1 15 . 1 1 11 11 ARG H H 11 8.370 8.370 7.532 0.838 19437 509 1 15 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.676 0.074 19437 510 1 15 . 1 1 12 12 HIS H H 12 8.570 8.570 8.294 0.276 19437 511 1 15 . 1 1 13 13 LYS HA H 13 4.340 4.340 4.165 0.175 19437 512 1 15 . 1 1 13 13 LYS H H 13 8.650 8.650 7.557 1.093 19437 513 1 15 . 1 1 14 14 THR HA H 14 4.300 4.300 4.195 0.105 19437 514 1 15 . 1 1 14 14 THR H H 14 8.190 8.190 7.656 0.534 19437 515 1 15 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.618 0.042 19437 516 1 15 . 1 1 15 15 ASP H H 15 8.370 8.370 7.532 0.838 19437 517 1 15 . 1 1 16 16 SER HA H 16 4.430 4.430 4.329 0.101 19437 518 1 15 . 1 1 16 16 SER H H 16 8.090 8.090 7.577 0.513 19437 519 1 15 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.482 -0.032 19437 520 1 15 . 1 1 17 17 PHE H H 17 8.520 8.520 7.663 0.857 19437 521 1 15 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.571 0.279 19437 522 1 15 . 1 1 18 18 VAL H H 18 7.930 7.930 7.348 0.582 19437 523 1 15 . 1 1 19 19 GLY H H 19 8.220 8.220 7.649 0.571 19437 524 1 15 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.342 -0.122 19437 525 1 15 . 1 1 20 20 LEU H H 20 7.850 7.850 7.343 0.507 19437 526 1 16 . 1 1 2 2 ALA HA H 2 4.370 4.370 4.496 -0.126 19437 527 1 16 . 1 1 2 2 ALA H H 2 8.690 8.690 8.509 0.181 19437 528 1 16 . 1 1 3 3 GLY H H 3 8.340 8.340 8.684 -0.344 19437 529 1 16 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.447 0.303 19437 530 1 16 . 1 1 4 4 HIS H H 4 8.340 8.340 7.688 0.652 19437 531 1 16 . 1 1 5 5 GLY H H 5 8.520 8.520 8.001 0.519 19437 532 1 16 . 1 1 6 6 GLN HA H 6 4.370 4.370 4.249 0.121 19437 533 1 16 . 1 1 6 6 GLN H H 6 8.280 8.280 7.858 0.422 19437 534 1 16 . 1 1 7 7 ILE HA H 7 4.170 4.170 3.948 0.222 19437 535 1 16 . 1 1 7 7 ILE H H 7 8.230 8.230 7.441 0.789 19437 536 1 16 . 1 1 8 8 SER HA H 8 4.410 4.410 4.272 0.138 19437 537 1 16 . 1 1 8 8 SER H H 8 8.300 8.300 7.707 0.593 19437 538 1 16 . 1 1 9 9 HIS HA H 9 4.740 4.740 4.624 0.116 19437 539 1 16 . 1 1 9 9 HIS H H 9 8.550 8.550 7.705 0.845 19437 540 1 16 . 1 1 10 10 LYS HA H 10 4.280 4.280 4.727 -0.447 19437 541 1 16 . 1 1 10 10 LYS H H 10 8.260 8.260 7.887 0.373 19437 542 1 16 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.179 0.121 19437 543 1 16 . 1 1 11 11 ARG H H 11 8.370 8.370 7.875 0.495 19437 544 1 16 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.937 -0.187 19437 545 1 16 . 1 1 12 12 HIS H H 12 8.570 8.570 7.963 0.607 19437 546 1 16 . 1 1 13 13 LYS HA H 13 4.340 4.340 3.788 0.552 19437 547 1 16 . 1 1 13 13 LYS H H 13 8.650 8.650 7.604 1.046 19437 548 1 16 . 1 1 14 14 THR HA H 14 4.300 4.300 4.144 0.156 19437 549 1 16 . 1 1 14 14 THR H H 14 8.190 8.190 7.688 0.502 19437 550 1 16 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.567 0.093 19437 551 1 16 . 1 1 15 15 ASP H H 15 8.370 8.370 8.135 0.235 19437 552 1 16 . 1 1 16 16 SER HA H 16 4.430 4.430 4.317 0.113 19437 553 1 16 . 1 1 16 16 SER H H 16 8.090 8.090 7.534 0.556 19437 554 1 16 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.404 0.046 19437 555 1 16 . 1 1 17 17 PHE H H 17 8.520 8.520 7.673 0.847 19437 556 1 16 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.869 -0.019 19437 557 1 16 . 1 1 18 18 VAL H H 18 7.930 7.930 7.278 0.652 19437 558 1 16 . 1 1 19 19 GLY H H 19 8.220 8.220 7.788 0.432 19437 559 1 16 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.361 -0.141 19437 560 1 16 . 1 1 20 20 LEU H H 20 7.850 7.850 7.495 0.355 19437 561 1 17 . 1 1 2 2 ALA HA H 2 4.370 4.370 4.430 -0.060 19437 562 1 17 . 1 1 2 2 ALA H H 2 8.690 8.690 8.257 0.433 19437 563 1 17 . 1 1 3 3 GLY H H 3 8.340 8.340 8.745 -0.405 19437 564 1 17 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.432 0.318 19437 565 1 17 . 1 1 4 4 HIS H H 4 8.340 8.340 8.004 0.336 19437 566 1 17 . 1 1 5 5 GLY H H 5 8.520 8.520 7.640 0.880 19437 567 1 17 . 1 1 6 6 GLN HA H 6 4.370 4.370 3.893 0.477 19437 568 1 17 . 1 1 6 6 GLN H H 6 8.280 8.280 7.728 0.552 19437 569 1 17 . 1 1 7 7 ILE HA H 7 4.170 4.170 3.890 0.280 19437 570 1 17 . 1 1 7 7 ILE H H 7 8.230 8.230 7.365 0.865 19437 571 1 17 . 1 1 8 8 SER HA H 8 4.410 4.410 4.447 -0.037 19437 572 1 17 . 1 1 8 8 SER H H 8 8.300 8.300 7.694 0.606 19437 573 1 17 . 1 1 9 9 HIS HA H 9 4.740 4.740 4.780 -0.040 19437 574 1 17 . 1 1 9 9 HIS H H 9 8.550 8.550 7.760 0.790 19437 575 1 17 . 1 1 10 10 LYS HA H 10 4.280 4.280 4.104 0.176 19437 576 1 17 . 1 1 10 10 LYS H H 10 8.260 8.260 7.655 0.605 19437 577 1 17 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.029 0.271 19437 578 1 17 . 1 1 11 11 ARG H H 11 8.370 8.370 7.362 1.008 19437 579 1 17 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.552 0.198 19437 580 1 17 . 1 1 12 12 HIS H H 12 8.570 8.570 7.954 0.616 19437 581 1 17 . 1 1 13 13 LYS HA H 13 4.340 4.340 4.199 0.141 19437 582 1 17 . 1 1 13 13 LYS H H 13 8.650 8.650 7.761 0.889 19437 583 1 17 . 1 1 14 14 THR HA H 14 4.300 4.300 3.980 0.320 19437 584 1 17 . 1 1 14 14 THR H H 14 8.190 8.190 7.489 0.701 19437 585 1 17 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.655 0.005 19437 586 1 17 . 1 1 15 15 ASP H H 15 8.370 8.370 7.632 0.738 19437 587 1 17 . 1 1 16 16 SER HA H 16 4.430 4.430 4.404 0.026 19437 588 1 17 . 1 1 16 16 SER H H 16 8.090 8.090 7.624 0.466 19437 589 1 17 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.423 0.027 19437 590 1 17 . 1 1 17 17 PHE H H 17 8.520 8.520 7.854 0.666 19437 591 1 17 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.862 -0.012 19437 592 1 17 . 1 1 18 18 VAL H H 18 7.930 7.930 7.361 0.569 19437 593 1 17 . 1 1 19 19 GLY H H 19 8.220 8.220 7.703 0.517 19437 594 1 17 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.409 -0.189 19437 595 1 17 . 1 1 20 20 LEU H H 20 7.850 7.850 7.634 0.216 19437 596 1 18 . 1 1 2 2 ALA HA H 2 4.370 4.370 4.488 -0.118 19437 597 1 18 . 1 1 2 2 ALA H H 2 8.690 8.690 8.192 0.498 19437 598 1 18 . 1 1 3 3 GLY H H 3 8.340 8.340 8.825 -0.485 19437 599 1 18 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.418 0.332 19437 600 1 18 . 1 1 4 4 HIS H H 4 8.340 8.340 7.707 0.633 19437 601 1 18 . 1 1 5 5 GLY H H 5 8.520 8.520 7.804 0.716 19437 602 1 18 . 1 1 6 6 GLN HA H 6 4.370 4.370 4.096 0.274 19437 603 1 18 . 1 1 6 6 GLN H H 6 8.280 8.280 7.875 0.405 19437 604 1 18 . 1 1 7 7 ILE HA H 7 4.170 4.170 4.147 0.023 19437 605 1 18 . 1 1 7 7 ILE H H 7 8.230 8.230 7.424 0.806 19437 606 1 18 . 1 1 8 8 SER HA H 8 4.410 4.410 4.238 0.172 19437 607 1 18 . 1 1 8 8 SER H H 8 8.300 8.300 7.415 0.885 19437 608 1 18 . 1 1 9 9 HIS HA H 9 4.740 4.740 4.399 0.341 19437 609 1 18 . 1 1 9 9 HIS H H 9 8.550 8.550 8.149 0.401 19437 610 1 18 . 1 1 10 10 LYS HA H 10 4.280 4.280 4.073 0.207 19437 611 1 18 . 1 1 10 10 LYS H H 10 8.260 8.260 7.543 0.717 19437 612 1 18 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.171 0.129 19437 613 1 18 . 1 1 11 11 ARG H H 11 8.370 8.370 7.511 0.859 19437 614 1 18 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.396 0.354 19437 615 1 18 . 1 1 12 12 HIS H H 12 8.570 8.570 7.756 0.814 19437 616 1 18 . 1 1 13 13 LYS HA H 13 4.340 4.340 4.166 0.174 19437 617 1 18 . 1 1 13 13 LYS H H 13 8.650 8.650 7.666 0.984 19437 618 1 18 . 1 1 14 14 THR HA H 14 4.300 4.300 4.150 0.150 19437 619 1 18 . 1 1 14 14 THR H H 14 8.190 8.190 7.964 0.226 19437 620 1 18 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.566 0.094 19437 621 1 18 . 1 1 15 15 ASP H H 15 8.370 8.370 7.510 0.860 19437 622 1 18 . 1 1 16 16 SER HA H 16 4.430 4.430 4.311 0.119 19437 623 1 18 . 1 1 16 16 SER H H 16 8.090 8.090 7.693 0.397 19437 624 1 18 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.481 -0.031 19437 625 1 18 . 1 1 17 17 PHE H H 17 8.520 8.520 7.575 0.945 19437 626 1 18 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.802 0.048 19437 627 1 18 . 1 1 18 18 VAL H H 18 7.930 7.930 7.452 0.478 19437 628 1 18 . 1 1 19 19 GLY H H 19 8.220 8.220 7.752 0.468 19437 629 1 18 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.353 -0.133 19437 630 1 18 . 1 1 20 20 LEU H H 20 7.850 7.850 7.535 0.315 19437 631 1 19 . 1 1 2 2 ALA HA H 2 4.370 4.370 3.554 0.816 19437 632 1 19 . 1 1 2 2 ALA H H 2 8.690 8.690 8.080 0.610 19437 633 1 19 . 1 1 3 3 GLY H H 3 8.340 8.340 8.565 -0.225 19437 634 1 19 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.385 0.365 19437 635 1 19 . 1 1 4 4 HIS H H 4 8.340 8.340 7.440 0.900 19437 636 1 19 . 1 1 5 5 GLY H H 5 8.520 8.520 8.075 0.445 19437 637 1 19 . 1 1 6 6 GLN HA H 6 4.370 4.370 4.228 0.142 19437 638 1 19 . 1 1 6 6 GLN H H 6 8.280 8.280 8.097 0.183 19437 639 1 19 . 1 1 7 7 ILE HA H 7 4.170 4.170 3.952 0.218 19437 640 1 19 . 1 1 7 7 ILE H H 7 8.230 8.230 7.451 0.779 19437 641 1 19 . 1 1 8 8 SER HA H 8 4.410 4.410 4.342 0.068 19437 642 1 19 . 1 1 8 8 SER H H 8 8.300 8.300 7.831 0.469 19437 643 1 19 . 1 1 9 9 HIS HA H 9 4.740 4.740 4.441 0.299 19437 644 1 19 . 1 1 9 9 HIS H H 9 8.550 8.550 7.957 0.593 19437 645 1 19 . 1 1 10 10 LYS HA H 10 4.280 4.280 4.115 0.165 19437 646 1 19 . 1 1 10 10 LYS H H 10 8.260 8.260 7.838 0.422 19437 647 1 19 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.203 0.097 19437 648 1 19 . 1 1 11 11 ARG H H 11 8.370 8.370 7.818 0.552 19437 649 1 19 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.445 0.305 19437 650 1 19 . 1 1 12 12 HIS H H 12 8.570 8.570 7.994 0.576 19437 651 1 19 . 1 1 13 13 LYS HA H 13 4.340 4.340 4.173 0.167 19437 652 1 19 . 1 1 13 13 LYS H H 13 8.650 8.650 7.611 1.039 19437 653 1 19 . 1 1 14 14 THR HA H 14 4.300 4.300 4.125 0.175 19437 654 1 19 . 1 1 14 14 THR H H 14 8.190 8.190 7.618 0.572 19437 655 1 19 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.619 0.041 19437 656 1 19 . 1 1 15 15 ASP H H 15 8.370 8.370 7.636 0.734 19437 657 1 19 . 1 1 16 16 SER HA H 16 4.430 4.430 4.353 0.077 19437 658 1 19 . 1 1 16 16 SER H H 16 8.090 8.090 7.540 0.550 19437 659 1 19 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.405 0.045 19437 660 1 19 . 1 1 17 17 PHE H H 17 8.520 8.520 7.751 0.769 19437 661 1 19 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.801 0.049 19437 662 1 19 . 1 1 18 18 VAL H H 18 7.930 7.930 7.318 0.612 19437 663 1 19 . 1 1 19 19 GLY H H 19 8.220 8.220 7.716 0.504 19437 664 1 19 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.293 -0.073 19437 665 1 19 . 1 1 20 20 LEU H H 20 7.850 7.850 7.525 0.325 19437 666 1 20 . 1 1 2 2 ALA HA H 2 4.370 4.370 4.300 0.070 19437 667 1 20 . 1 1 2 2 ALA H H 2 8.690 8.690 8.293 0.397 19437 668 1 20 . 1 1 3 3 GLY H H 3 8.340 8.340 8.477 -0.137 19437 669 1 20 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.649 0.101 19437 670 1 20 . 1 1 4 4 HIS H H 4 8.340 8.340 7.765 0.575 19437 671 1 20 . 1 1 5 5 GLY H H 5 8.520 8.520 7.925 0.595 19437 672 1 20 . 1 1 6 6 GLN HA H 6 4.370 4.370 4.022 0.348 19437 673 1 20 . 1 1 6 6 GLN H H 6 8.280 8.280 8.192 0.088 19437 674 1 20 . 1 1 7 7 ILE HA H 7 4.170 4.170 3.843 0.327 19437 675 1 20 . 1 1 7 7 ILE H H 7 8.230 8.230 7.392 0.838 19437 676 1 20 . 1 1 8 8 SER HA H 8 4.410 4.410 4.316 0.094 19437 677 1 20 . 1 1 8 8 SER H H 8 8.300 8.300 8.073 0.227 19437 678 1 20 . 1 1 9 9 HIS HA H 9 4.740 4.740 4.524 0.216 19437 679 1 20 . 1 1 9 9 HIS H H 9 8.550 8.550 7.890 0.660 19437 680 1 20 . 1 1 10 10 LYS HA H 10 4.280 4.280 3.976 0.304 19437 681 1 20 . 1 1 10 10 LYS H H 10 8.260 8.260 7.604 0.656 19437 682 1 20 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.212 0.088 19437 683 1 20 . 1 1 11 11 ARG H H 11 8.370 8.370 7.444 0.926 19437 684 1 20 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.547 0.203 19437 685 1 20 . 1 1 12 12 HIS H H 12 8.570 8.570 7.841 0.729 19437 686 1 20 . 1 1 13 13 LYS HA H 13 4.340 4.340 4.297 0.043 19437 687 1 20 . 1 1 13 13 LYS H H 13 8.650 8.650 7.633 1.017 19437 688 1 20 . 1 1 14 14 THR HA H 14 4.300 4.300 4.284 0.016 19437 689 1 20 . 1 1 14 14 THR H H 14 8.190 8.190 7.517 0.673 19437 690 1 20 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.647 0.013 19437 691 1 20 . 1 1 15 15 ASP H H 15 8.370 8.370 8.268 0.102 19437 692 1 20 . 1 1 16 16 SER HA H 16 4.430 4.430 4.366 0.064 19437 693 1 20 . 1 1 16 16 SER H H 16 8.090 8.090 7.610 0.480 19437 694 1 20 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.413 0.037 19437 695 1 20 . 1 1 17 17 PHE H H 17 8.520 8.520 7.728 0.792 19437 696 1 20 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.943 -0.093 19437 697 1 20 . 1 1 18 18 VAL H H 18 7.930 7.930 7.344 0.586 19437 698 1 20 . 1 1 19 19 GLY H H 19 8.220 8.220 7.690 0.530 19437 699 1 20 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.278 -0.058 19437 700 1 20 . 1 1 20 20 LEU H H 20 7.850 7.850 7.574 0.276 19437 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 0 0.000 0.000 0.000 19437 2 1 1 "Average Difference" HA 19 0.249 -0.093 0.237 19437 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19437 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19437 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 19437 6 1 1 "Average Difference" HN 19 0.683 -0.597 0.341 19437 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19437 8 1 2 "Average Difference" HA 19 0.169 -0.108 0.134 19437 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19437 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19437 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 19437 12 1 2 "Average Difference" HN 19 0.550 -0.429 0.354 19437 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19437 14 1 3 "Average Difference" HA 19 0.229 -0.136 0.190 19437 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19437 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19437 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 19437 18 1 3 "Average Difference" HN 19 0.593 -0.538 0.255 19437 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19437 20 1 4 "Average Difference" HA 19 0.181 -0.115 0.144 19437 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19437 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19437 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 19437 24 1 4 "Average Difference" HN 19 0.554 -0.448 0.334 19437 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19437 26 1 5 "Average Difference" HA 19 0.220 -0.135 0.179 19437 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19437 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19437 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 19437 30 1 5 "Average Difference" HN 19 0.683 -0.571 0.385 19437 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19437 32 1 6 "Average Difference" HA 19 0.211 -0.160 0.142 19437 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19437 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19437 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 19437 36 1 6 "Average Difference" HN 19 0.543 -0.435 0.334 19437 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19437 38 1 7 "Average Difference" HA 19 0.224 -0.142 0.178 19437 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19437 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19437 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 19437 42 1 7 "Average Difference" HN 19 0.663 -0.571 0.346 19437 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19437 44 1 8 "Average Difference" HA 19 0.216 -0.123 0.182 19437 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19437 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19437 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 19437 48 1 8 "Average Difference" HN 19 0.648 -0.546 0.358 19437 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19437 50 1 9 "Average Difference" HA 19 0.261 -0.132 0.232 19437 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19437 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19437 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 19437 54 1 9 "Average Difference" HN 19 0.618 -0.529 0.329 19437 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19437 56 1 10 "Average Difference" HA 19 0.279 -0.191 0.210 19437 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19437 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19437 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 19437 60 1 10 "Average Difference" HN 19 0.578 -0.475 0.338 19437 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 19437 62 1 11 "Average Difference" HA 19 0.317 -0.126 0.298 19437 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19437 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 19437 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 19437 66 1 11 "Average Difference" HN 19 0.637 -0.530 0.363 19437 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 19437 68 1 12 "Average Difference" HA 19 0.192 -0.106 0.164 19437 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19437 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 19437 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 19437 72 1 12 "Average Difference" HN 19 0.596 -0.513 0.312 19437 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 19437 74 1 13 "Average Difference" HA 19 0.174 -0.078 0.160 19437 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19437 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 19437 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 19437 78 1 13 "Average Difference" HN 19 0.669 -0.569 0.362 19437 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 19437 80 1 14 "Average Difference" HA 19 0.247 -0.138 0.210 19437 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19437 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 19437 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 19437 84 1 14 "Average Difference" HN 19 0.719 -0.612 0.388 19437 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 19437 86 1 15 "Average Difference" HA 19 0.194 -0.127 0.151 19437 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19437 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 19437 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 19437 90 1 15 "Average Difference" HN 19 0.659 -0.559 0.358 19437 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 19437 92 1 16 "Average Difference" HA 19 0.211 -0.056 0.208 19437 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19437 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 19437 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 19437 96 1 16 "Average Difference" HN 19 0.591 -0.514 0.300 19437 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 19437 98 1 17 "Average Difference" HA 19 0.219 -0.133 0.179 19437 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19437 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 19437 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 19437 102 1 17 "Average Difference" HN 19 0.656 -0.581 0.311 19437 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 19437 104 1 18 "Average Difference" HA 19 0.193 -0.135 0.142 19437 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19437 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 19437 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 19437 108 1 18 "Average Difference" HN 19 0.666 -0.575 0.345 19437 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 19437 110 1 19 "Average Difference" HA 19 0.251 -0.171 0.189 19437 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19437 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 19437 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 19437 114 1 19 "Average Difference" HN 19 0.608 -0.548 0.272 19437 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 19437 116 1 20 "Average Difference" HA 19 0.157 -0.099 0.126 19437 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19437 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 19437 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 19437 120 1 20 "Average Difference" HN 19 0.604 -0.527 0.304 19437 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 19437 _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 ALA HA H 2 4.370 4.370 4.375 -0.005 19437 2 1 . 1 1 2 2 ALA H H 2 8.690 8.690 8.338 0.352 19437 3 1 . 1 1 3 3 GLY H H 3 8.340 8.340 8.733 -0.393 19437 4 1 . 1 1 4 4 HIS HA H 4 4.750 4.750 4.429 0.321 19437 5 1 . 1 1 4 4 HIS H H 4 8.340 8.340 7.872 0.468 19437 6 1 . 1 1 5 5 GLY H H 5 8.520 8.520 7.872 0.648 19437 7 1 . 1 1 6 6 GLN HA H 6 4.370 4.370 4.088 0.282 19437 8 1 . 1 1 6 6 GLN H H 6 8.280 8.280 7.854 0.426 19437 9 1 . 1 1 7 7 ILE HA H 7 4.170 4.170 3.920 0.250 19437 10 1 . 1 1 7 7 ILE H H 7 8.230 8.230 7.445 0.785 19437 11 1 . 1 1 8 8 SER HA H 8 4.410 4.410 4.324 0.086 19437 12 1 . 1 1 8 8 SER H H 8 8.300 8.300 7.848 0.452 19437 13 1 . 1 1 9 9 HIS HA H 9 4.740 4.740 4.414 0.326 19437 14 1 . 1 1 9 9 HIS H H 9 8.550 8.550 7.857 0.693 19437 15 1 . 1 1 10 10 LYS HA H 10 4.280 4.280 4.139 0.141 19437 16 1 . 1 1 10 10 LYS H H 10 8.260 8.260 7.750 0.510 19437 17 1 . 1 1 11 11 ARG HA H 11 4.300 4.300 4.199 0.101 19437 18 1 . 1 1 11 11 ARG H H 11 8.370 8.370 7.651 0.718 19437 19 1 . 1 1 12 12 HIS HA H 12 4.750 4.750 4.636 0.114 19437 20 1 . 1 1 12 12 HIS H H 12 8.570 8.570 7.949 0.620 19437 21 1 . 1 1 13 13 LYS HA H 13 4.340 4.340 4.097 0.243 19437 22 1 . 1 1 13 13 LYS H H 13 8.650 8.650 7.704 0.946 19437 23 1 . 1 1 14 14 THR HA H 14 4.300 4.300 4.182 0.118 19437 24 1 . 1 1 14 14 THR H H 14 8.190 8.190 7.650 0.540 19437 25 1 . 1 1 15 15 ASP HA H 15 4.660 4.660 4.604 0.056 19437 26 1 . 1 1 15 15 ASP H H 15 8.370 8.370 7.769 0.601 19437 27 1 . 1 1 16 16 SER HA H 16 4.430 4.430 4.339 0.091 19437 28 1 . 1 1 16 16 SER H H 16 8.090 8.090 7.562 0.528 19437 29 1 . 1 1 17 17 PHE HA H 17 4.450 4.450 4.425 0.025 19437 30 1 . 1 1 17 17 PHE H H 17 8.520 8.520 7.699 0.821 19437 31 1 . 1 1 18 18 VAL HA H 18 3.850 3.850 3.808 0.042 19437 32 1 . 1 1 18 18 VAL H H 18 7.930 7.930 7.321 0.609 19437 33 1 . 1 1 19 19 GLY H H 19 8.220 8.220 7.716 0.504 19437 34 1 . 1 1 20 20 LEU HA H 20 4.220 4.220 4.365 -0.145 19437 35 1 . 1 1 20 20 LEU H H 20 7.850 7.850 7.545 0.305 19437 stop_ save_