data_19250 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19250 _Entry.PDB_ID 2M8F 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 19250 _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 PRO HA H 2 4.440 4.440 4.599 -0.159 19250 2 1 1 . 1 1 3 3 THR HA H 3 4.630 4.630 4.457 0.173 19250 3 1 1 . 1 1 3 3 THR H H 3 7.820 7.820 7.597 0.223 19250 4 1 1 . 1 1 4 4 PRO HA H 4 4.440 4.440 4.695 -0.255 19250 5 1 1 . 1 1 5 5 MET HA H 5 4.500 4.500 4.728 -0.228 19250 6 1 1 . 1 1 5 5 MET H H 5 7.930 7.930 8.354 -0.424 19250 7 1 1 . 1 1 6 6 VAL HA H 6 4.130 4.130 4.494 -0.364 19250 8 1 1 . 1 1 6 6 VAL H H 6 8.350 8.350 7.985 0.365 19250 9 1 1 . 1 1 7 7 GLY H H 7 7.210 7.210 8.324 -1.114 19250 10 1 1 . 1 1 8 8 LEU HA H 8 4.460 4.460 3.950 0.510 19250 11 1 1 . 1 1 9 9 ASP HA H 9 4.450 4.450 4.498 -0.048 19250 12 1 1 . 1 1 9 9 ASP H H 9 8.020 8.020 8.136 -0.116 19250 13 1 1 . 1 1 10 10 SER HA H 10 4.220 4.220 4.298 -0.078 19250 14 1 1 . 1 1 10 10 SER H H 10 7.330 7.330 8.228 -0.898 19250 15 1 1 . 1 1 11 11 VAL HA H 11 4.030 4.030 4.072 -0.042 19250 16 1 1 . 1 1 11 11 VAL H H 11 8.370 8.370 7.794 0.576 19250 17 1 1 . 1 1 12 12 SER HA H 12 4.210 4.210 4.569 -0.359 19250 18 1 1 . 1 1 12 12 SER H H 12 7.370 7.370 8.261 -0.891 19250 19 1 1 . 1 1 13 13 GLY H H 13 8.150 8.150 8.371 -0.221 19250 20 1 1 . 1 1 14 14 GLN HA H 14 4.340 4.340 4.459 -0.119 19250 21 1 1 . 1 1 15 15 TYR HA H 15 4.890 4.890 4.721 0.169 19250 22 1 1 . 1 1 15 15 TYR H H 15 7.180 7.180 8.058 -0.878 19250 23 1 1 . 1 1 16 16 TRP HA H 16 4.440 4.440 4.594 -0.154 19250 24 1 1 . 1 1 16 16 TRP H H 16 8.190 8.190 7.532 0.658 19250 25 1 1 . 1 1 17 17 ASP HA H 17 4.500 4.500 4.464 0.036 19250 26 1 1 . 1 1 17 17 ASP H H 17 7.560 7.560 7.575 -0.015 19250 27 1 1 . 1 1 18 18 GLN HA H 18 3.950 3.950 3.996 -0.046 19250 28 1 1 . 1 1 18 18 GLN H H 18 7.620 7.620 6.987 0.633 19250 29 1 1 . 1 1 19 19 HIS HA H 19 4.540 4.540 4.386 0.154 19250 30 1 1 . 1 1 19 19 HIS H H 19 8.090 8.090 7.962 0.128 19250 31 1 1 . 1 1 20 20 ALA HA H 20 4.480 4.480 4.292 0.188 19250 32 1 1 . 1 1 20 20 ALA H H 20 8.230 8.230 9.402 -1.172 19250 33 1 1 . 1 1 21 21 PRO HA H 21 4.350 4.350 4.534 -0.184 19250 34 1 1 . 1 1 22 22 LEU HA H 22 4.250 4.250 4.693 -0.443 19250 35 1 1 . 1 1 22 22 LEU H H 22 7.890 7.890 8.102 -0.212 19250 36 1 1 . 1 1 23 23 ALA HA H 23 4.260 4.260 4.795 -0.535 19250 37 1 1 . 1 1 23 23 ALA H H 23 7.880 7.880 8.641 -0.761 19250 38 1 2 . 1 1 2 2 PRO HA H 2 4.440 4.440 4.566 -0.126 19250 39 1 2 . 1 1 3 3 THR HA H 3 4.630 4.630 4.742 -0.112 19250 40 1 2 . 1 1 3 3 THR H H 3 7.820 7.820 8.009 -0.189 19250 41 1 2 . 1 1 4 4 PRO HA H 4 4.440 4.440 4.542 -0.102 19250 42 1 2 . 1 1 5 5 MET HA H 5 4.500 4.500 4.429 0.071 19250 43 1 2 . 1 1 5 5 MET H H 5 7.930 7.930 7.472 0.458 19250 44 1 2 . 1 1 6 6 VAL HA H 6 4.130 4.130 4.520 -0.390 19250 45 1 2 . 1 1 6 6 VAL H H 6 8.350 8.350 7.852 0.498 19250 46 1 2 . 1 1 7 7 GLY H H 7 7.210 7.210 8.474 -1.264 19250 47 1 2 . 1 1 8 8 LEU HA H 8 4.460 4.460 3.834 0.626 19250 48 1 2 . 1 1 9 9 ASP HA H 9 4.450 4.450 4.708 -0.258 19250 49 1 2 . 1 1 9 9 ASP H H 9 8.020 8.020 8.129 -0.109 19250 50 1 2 . 1 1 10 10 SER HA H 10 4.220 4.220 4.204 0.016 19250 51 1 2 . 1 1 10 10 SER H H 10 7.330 7.330 8.649 -1.319 19250 52 1 2 . 1 1 11 11 VAL HA H 11 4.030 4.030 4.199 -0.169 19250 53 1 2 . 1 1 11 11 VAL H H 11 8.370 8.370 7.949 0.421 19250 54 1 2 . 1 1 12 12 SER HA H 12 4.210 4.210 4.665 -0.455 19250 55 1 2 . 1 1 12 12 SER H H 12 7.370 7.370 7.773 -0.403 19250 56 1 2 . 1 1 13 13 GLY H H 13 8.150 8.150 8.744 -0.594 19250 57 1 2 . 1 1 14 14 GLN HA H 14 4.340 4.340 4.491 -0.151 19250 58 1 2 . 1 1 15 15 TYR HA H 15 4.890 4.890 4.714 0.176 19250 59 1 2 . 1 1 15 15 TYR H H 15 7.180 7.180 8.724 -1.544 19250 60 1 2 . 1 1 16 16 TRP HA H 16 4.440 4.440 4.478 -0.038 19250 61 1 2 . 1 1 16 16 TRP H H 16 8.190 8.190 8.511 -0.321 19250 62 1 2 . 1 1 17 17 ASP HA H 17 4.500 4.500 4.432 0.068 19250 63 1 2 . 1 1 17 17 ASP H H 17 7.560 7.560 8.758 -1.198 19250 64 1 2 . 1 1 18 18 GLN HA H 18 3.950 3.950 4.003 -0.053 19250 65 1 2 . 1 1 18 18 GLN H H 18 7.620 7.620 6.979 0.641 19250 66 1 2 . 1 1 19 19 HIS HA H 19 4.540 4.540 4.551 -0.011 19250 67 1 2 . 1 1 19 19 HIS H H 19 8.090 8.090 8.855 -0.765 19250 68 1 2 . 1 1 20 20 ALA HA H 20 4.480 4.480 4.527 -0.047 19250 69 1 2 . 1 1 20 20 ALA H H 20 8.230 8.230 7.545 0.685 19250 70 1 2 . 1 1 21 21 PRO HA H 21 4.350 4.350 4.408 -0.058 19250 71 1 2 . 1 1 22 22 LEU HA H 22 4.250 4.250 4.659 -0.409 19250 72 1 2 . 1 1 22 22 LEU H H 22 7.890 7.890 7.324 0.566 19250 73 1 2 . 1 1 23 23 ALA HA H 23 4.260 4.260 4.522 -0.262 19250 74 1 2 . 1 1 23 23 ALA H H 23 7.880 7.880 8.441 -0.561 19250 75 1 3 . 1 1 2 2 PRO HA H 2 4.440 4.440 4.515 -0.075 19250 76 1 3 . 1 1 3 3 THR HA H 3 4.630 4.630 4.705 -0.075 19250 77 1 3 . 1 1 3 3 THR H H 3 7.820 7.820 7.796 0.024 19250 78 1 3 . 1 1 4 4 PRO HA H 4 4.440 4.440 4.567 -0.127 19250 79 1 3 . 1 1 5 5 MET HA H 5 4.500 4.500 4.394 0.106 19250 80 1 3 . 1 1 5 5 MET H H 5 7.930 7.930 7.467 0.463 19250 81 1 3 . 1 1 6 6 VAL HA H 6 4.130 4.130 4.501 -0.371 19250 82 1 3 . 1 1 6 6 VAL H H 6 8.350 8.350 8.060 0.290 19250 83 1 3 . 1 1 7 7 GLY H H 7 7.210 7.210 8.589 -1.379 19250 84 1 3 . 1 1 8 8 LEU HA H 8 4.460 4.460 3.823 0.637 19250 85 1 3 . 1 1 9 9 ASP HA H 9 4.450 4.450 4.702 -0.252 19250 86 1 3 . 1 1 9 9 ASP H H 9 8.020 8.020 8.120 -0.100 19250 87 1 3 . 1 1 10 10 SER HA H 10 4.220 4.220 4.284 -0.064 19250 88 1 3 . 1 1 10 10 SER H H 10 7.330 7.330 8.657 -1.327 19250 89 1 3 . 1 1 11 11 VAL HA H 11 4.030 4.030 4.213 -0.183 19250 90 1 3 . 1 1 11 11 VAL H H 11 8.370 8.370 8.068 0.302 19250 91 1 3 . 1 1 12 12 SER HA H 12 4.210 4.210 4.611 -0.401 19250 92 1 3 . 1 1 12 12 SER H H 12 7.370 7.370 7.794 -0.424 19250 93 1 3 . 1 1 13 13 GLY H H 13 8.150 8.150 9.066 -0.916 19250 94 1 3 . 1 1 14 14 GLN HA H 14 4.340 4.340 4.492 -0.152 19250 95 1 3 . 1 1 15 15 TYR HA H 15 4.890 4.890 4.776 0.114 19250 96 1 3 . 1 1 15 15 TYR H H 15 7.180 7.180 8.681 -1.501 19250 97 1 3 . 1 1 16 16 TRP HA H 16 4.440 4.440 4.502 -0.062 19250 98 1 3 . 1 1 16 16 TRP H H 16 8.190 8.190 8.378 -0.188 19250 99 1 3 . 1 1 17 17 ASP HA H 17 4.500 4.500 4.704 -0.204 19250 100 1 3 . 1 1 17 17 ASP H H 17 7.560 7.560 8.402 -0.842 19250 101 1 3 . 1 1 18 18 GLN HA H 18 3.950 3.950 4.131 -0.181 19250 102 1 3 . 1 1 18 18 GLN H H 18 7.620 7.620 7.300 0.320 19250 103 1 3 . 1 1 19 19 HIS HA H 19 4.540 4.540 4.407 0.133 19250 104 1 3 . 1 1 19 19 HIS H H 19 8.090 8.090 8.849 -0.759 19250 105 1 3 . 1 1 20 20 ALA HA H 20 4.480 4.480 4.507 -0.027 19250 106 1 3 . 1 1 20 20 ALA H H 20 8.230 8.230 7.690 0.540 19250 107 1 3 . 1 1 21 21 PRO HA H 21 4.350 4.350 4.487 -0.137 19250 108 1 3 . 1 1 22 22 LEU HA H 22 4.250 4.250 4.611 -0.361 19250 109 1 3 . 1 1 22 22 LEU H H 22 7.890 7.890 7.344 0.546 19250 110 1 3 . 1 1 23 23 ALA HA H 23 4.260 4.260 4.533 -0.273 19250 111 1 3 . 1 1 23 23 ALA H H 23 7.880 7.880 8.121 -0.241 19250 112 1 4 . 1 1 2 2 PRO HA H 2 4.440 4.440 4.886 -0.446 19250 113 1 4 . 1 1 3 3 THR HA H 3 4.630 4.630 4.934 -0.304 19250 114 1 4 . 1 1 3 3 THR H H 3 7.820 7.820 7.910 -0.090 19250 115 1 4 . 1 1 4 4 PRO HA H 4 4.440 4.440 4.535 -0.095 19250 116 1 4 . 1 1 5 5 MET HA H 5 4.500 4.500 4.652 -0.152 19250 117 1 4 . 1 1 5 5 MET H H 5 7.930 7.930 7.485 0.445 19250 118 1 4 . 1 1 6 6 VAL HA H 6 4.130 4.130 4.685 -0.555 19250 119 1 4 . 1 1 6 6 VAL H H 6 8.350 8.350 7.891 0.459 19250 120 1 4 . 1 1 7 7 GLY H H 7 7.210 7.210 8.741 -1.531 19250 121 1 4 . 1 1 8 8 LEU HA H 8 4.460 4.460 3.953 0.507 19250 122 1 4 . 1 1 9 9 ASP HA H 9 4.450 4.450 4.663 -0.213 19250 123 1 4 . 1 1 9 9 ASP H H 9 8.020 8.020 7.958 0.062 19250 124 1 4 . 1 1 10 10 SER HA H 10 4.220 4.220 4.253 -0.034 19250 125 1 4 . 1 1 10 10 SER H H 10 7.330 7.330 9.464 -2.134 19250 126 1 4 . 1 1 11 11 VAL HA H 11 4.030 4.030 4.236 -0.206 19250 127 1 4 . 1 1 11 11 VAL H H 11 8.370 8.370 7.666 0.704 19250 128 1 4 . 1 1 12 12 SER HA H 12 4.210 4.210 4.637 -0.427 19250 129 1 4 . 1 1 12 12 SER H H 12 7.370 7.370 8.763 -1.393 19250 130 1 4 . 1 1 13 13 GLY H H 13 8.150 8.150 8.663 -0.513 19250 131 1 4 . 1 1 14 14 GLN HA H 14 4.340 4.340 3.803 0.537 19250 132 1 4 . 1 1 15 15 TYR HA H 15 4.890 4.890 4.962 -0.072 19250 133 1 4 . 1 1 15 15 TYR H H 15 7.180 7.180 7.902 -0.722 19250 134 1 4 . 1 1 16 16 TRP HA H 16 4.440 4.440 4.307 0.133 19250 135 1 4 . 1 1 16 16 TRP H H 16 8.190 8.190 7.516 0.674 19250 136 1 4 . 1 1 17 17 ASP HA H 17 4.500 4.500 4.640 -0.140 19250 137 1 4 . 1 1 17 17 ASP H H 17 7.560 7.560 8.023 -0.463 19250 138 1 4 . 1 1 18 18 GLN HA H 18 3.950 3.950 4.234 -0.284 19250 139 1 4 . 1 1 18 18 GLN H H 18 7.620 7.620 7.362 0.258 19250 140 1 4 . 1 1 19 19 HIS HA H 19 4.540 4.540 4.283 0.257 19250 141 1 4 . 1 1 19 19 HIS H H 19 8.090 8.090 8.333 -0.243 19250 142 1 4 . 1 1 20 20 ALA HA H 20 4.480 4.480 4.458 0.022 19250 143 1 4 . 1 1 20 20 ALA H H 20 8.230 8.230 8.060 0.170 19250 144 1 4 . 1 1 21 21 PRO HA H 21 4.350 4.350 4.449 -0.100 19250 145 1 4 . 1 1 22 22 LEU HA H 22 4.250 4.250 4.698 -0.448 19250 146 1 4 . 1 1 22 22 LEU H H 22 7.890 7.890 8.103 -0.213 19250 147 1 4 . 1 1 23 23 ALA HA H 23 4.260 4.260 4.512 -0.252 19250 148 1 4 . 1 1 23 23 ALA H H 23 7.880 7.880 7.871 0.009 19250 149 1 5 . 1 1 2 2 PRO HA H 2 4.440 4.440 4.586 -0.146 19250 150 1 5 . 1 1 3 3 THR HA H 3 4.630 4.630 4.760 -0.130 19250 151 1 5 . 1 1 3 3 THR H H 3 7.820 7.820 8.144 -0.324 19250 152 1 5 . 1 1 4 4 PRO HA H 4 4.440 4.440 4.600 -0.160 19250 153 1 5 . 1 1 5 5 MET HA H 5 4.500 4.500 4.358 0.142 19250 154 1 5 . 1 1 5 5 MET H H 5 7.930 7.930 7.799 0.131 19250 155 1 5 . 1 1 6 6 VAL HA H 6 4.130 4.130 4.472 -0.342 19250 156 1 5 . 1 1 6 6 VAL H H 6 8.350 8.350 7.934 0.416 19250 157 1 5 . 1 1 7 7 GLY H H 7 7.210 7.210 8.536 -1.326 19250 158 1 5 . 1 1 8 8 LEU HA H 8 4.460 4.460 3.796 0.664 19250 159 1 5 . 1 1 9 9 ASP HA H 9 4.450 4.450 4.732 -0.282 19250 160 1 5 . 1 1 9 9 ASP H H 9 8.020 8.020 8.010 0.010 19250 161 1 5 . 1 1 10 10 SER HA H 10 4.220 4.220 4.134 0.086 19250 162 1 5 . 1 1 10 10 SER H H 10 7.330 7.330 8.464 -1.134 19250 163 1 5 . 1 1 11 11 VAL HA H 11 4.030 4.030 4.158 -0.128 19250 164 1 5 . 1 1 11 11 VAL H H 11 8.370 8.370 8.043 0.327 19250 165 1 5 . 1 1 12 12 SER HA H 12 4.210 4.210 4.602 -0.392 19250 166 1 5 . 1 1 12 12 SER H H 12 7.370 7.370 7.761 -0.391 19250 167 1 5 . 1 1 13 13 GLY H H 13 8.150 8.150 9.119 -0.969 19250 168 1 5 . 1 1 14 14 GLN HA H 14 4.340 4.340 4.452 -0.112 19250 169 1 5 . 1 1 15 15 TYR HA H 15 4.890 4.890 4.709 0.181 19250 170 1 5 . 1 1 15 15 TYR H H 15 7.180 7.180 8.606 -1.426 19250 171 1 5 . 1 1 16 16 TRP HA H 16 4.440 4.440 4.439 0.001 19250 172 1 5 . 1 1 16 16 TRP H H 16 8.190 8.190 8.717 -0.527 19250 173 1 5 . 1 1 17 17 ASP HA H 17 4.500 4.500 4.474 0.026 19250 174 1 5 . 1 1 17 17 ASP H H 17 7.560 7.560 8.664 -1.104 19250 175 1 5 . 1 1 18 18 GLN HA H 18 3.950 3.950 4.047 -0.097 19250 176 1 5 . 1 1 18 18 GLN H H 18 7.620 7.620 6.887 0.733 19250 177 1 5 . 1 1 19 19 HIS HA H 19 4.540 4.540 4.463 0.077 19250 178 1 5 . 1 1 19 19 HIS H H 19 8.090 8.090 8.820 -0.730 19250 179 1 5 . 1 1 20 20 ALA HA H 20 4.480 4.480 4.587 -0.107 19250 180 1 5 . 1 1 20 20 ALA H H 20 8.230 8.230 7.816 0.414 19250 181 1 5 . 1 1 21 21 PRO HA H 21 4.350 4.350 4.406 -0.056 19250 182 1 5 . 1 1 22 22 LEU HA H 22 4.250 4.250 4.476 -0.226 19250 183 1 5 . 1 1 22 22 LEU H H 22 7.890 7.890 7.371 0.519 19250 184 1 5 . 1 1 23 23 ALA HA H 23 4.260 4.260 4.611 -0.351 19250 185 1 5 . 1 1 23 23 ALA H H 23 7.880 7.880 8.277 -0.397 19250 186 1 6 . 1 1 2 2 PRO HA H 2 4.440 4.440 4.890 -0.450 19250 187 1 6 . 1 1 3 3 THR HA H 3 4.630 4.630 4.574 0.056 19250 188 1 6 . 1 1 3 3 THR H H 3 7.820 7.820 7.646 0.174 19250 189 1 6 . 1 1 4 4 PRO HA H 4 4.440 4.440 4.557 -0.117 19250 190 1 6 . 1 1 5 5 MET HA H 5 4.500 4.500 4.519 -0.019 19250 191 1 6 . 1 1 5 5 MET H H 5 7.930 7.930 7.708 0.222 19250 192 1 6 . 1 1 6 6 VAL HA H 6 4.130 4.130 4.833 -0.703 19250 193 1 6 . 1 1 6 6 VAL H H 6 8.350 8.350 7.882 0.468 19250 194 1 6 . 1 1 7 7 GLY H H 7 7.210 7.210 8.972 -1.762 19250 195 1 6 . 1 1 8 8 LEU HA H 8 4.460 4.460 3.908 0.552 19250 196 1 6 . 1 1 9 9 ASP HA H 9 4.450 4.450 4.616 -0.166 19250 197 1 6 . 1 1 9 9 ASP H H 9 8.020 8.020 8.098 -0.078 19250 198 1 6 . 1 1 10 10 SER HA H 10 4.220 4.220 4.238 -0.018 19250 199 1 6 . 1 1 10 10 SER H H 10 7.330 7.330 9.123 -1.793 19250 200 1 6 . 1 1 11 11 VAL HA H 11 4.030 4.030 4.161 -0.131 19250 201 1 6 . 1 1 11 11 VAL H H 11 8.370 8.370 7.553 0.817 19250 202 1 6 . 1 1 12 12 SER HA H 12 4.210 4.210 4.609 -0.399 19250 203 1 6 . 1 1 12 12 SER H H 12 7.370 7.370 7.899 -0.528 19250 204 1 6 . 1 1 13 13 GLY H H 13 8.150 8.150 8.743 -0.593 19250 205 1 6 . 1 1 14 14 GLN HA H 14 4.340 4.340 3.714 0.626 19250 206 1 6 . 1 1 15 15 TYR HA H 15 4.890 4.890 4.970 -0.080 19250 207 1 6 . 1 1 15 15 TYR H H 15 7.180 7.180 7.787 -0.607 19250 208 1 6 . 1 1 16 16 TRP HA H 16 4.440 4.440 4.313 0.127 19250 209 1 6 . 1 1 16 16 TRP H H 16 8.190 8.190 7.709 0.481 19250 210 1 6 . 1 1 17 17 ASP HA H 17 4.500 4.500 4.634 -0.134 19250 211 1 6 . 1 1 17 17 ASP H H 17 7.560 7.560 7.902 -0.342 19250 212 1 6 . 1 1 18 18 GLN HA H 18 3.950 3.950 3.697 0.253 19250 213 1 6 . 1 1 18 18 GLN H H 18 7.620 7.620 7.416 0.204 19250 214 1 6 . 1 1 19 19 HIS HA H 19 4.540 4.540 4.327 0.213 19250 215 1 6 . 1 1 19 19 HIS H H 19 8.090 8.090 7.775 0.315 19250 216 1 6 . 1 1 20 20 ALA HA H 20 4.480 4.480 4.675 -0.195 19250 217 1 6 . 1 1 20 20 ALA H H 20 8.230 8.230 8.799 -0.569 19250 218 1 6 . 1 1 21 21 PRO HA H 21 4.350 4.350 4.606 -0.256 19250 219 1 6 . 1 1 22 22 LEU HA H 22 4.250 4.250 4.640 -0.390 19250 220 1 6 . 1 1 22 22 LEU H H 22 7.890 7.890 7.883 0.007 19250 221 1 6 . 1 1 23 23 ALA HA H 23 4.260 4.260 4.883 -0.623 19250 222 1 6 . 1 1 23 23 ALA H H 23 7.880 7.880 8.662 -0.782 19250 223 1 7 . 1 1 2 2 PRO HA H 2 4.440 4.440 4.669 -0.229 19250 224 1 7 . 1 1 3 3 THR HA H 3 4.630 4.630 4.643 -0.013 19250 225 1 7 . 1 1 3 3 THR H H 3 7.820 7.820 7.755 0.065 19250 226 1 7 . 1 1 4 4 PRO HA H 4 4.440 4.440 4.621 -0.181 19250 227 1 7 . 1 1 5 5 MET HA H 5 4.500 4.500 4.360 0.140 19250 228 1 7 . 1 1 5 5 MET H H 5 7.930 7.930 7.566 0.364 19250 229 1 7 . 1 1 6 6 VAL HA H 6 4.130 4.130 4.374 -0.244 19250 230 1 7 . 1 1 6 6 VAL H H 6 8.350 8.350 8.015 0.335 19250 231 1 7 . 1 1 7 7 GLY H H 7 7.210 7.210 8.284 -1.074 19250 232 1 7 . 1 1 8 8 LEU HA H 8 4.460 4.460 3.682 0.778 19250 233 1 7 . 1 1 9 9 ASP HA H 9 4.450 4.450 4.477 -0.027 19250 234 1 7 . 1 1 9 9 ASP H H 9 8.020 8.020 8.387 -0.367 19250 235 1 7 . 1 1 10 10 SER HA H 10 4.220 4.220 4.144 0.076 19250 236 1 7 . 1 1 10 10 SER H H 10 7.330 7.330 8.659 -1.329 19250 237 1 7 . 1 1 11 11 VAL HA H 11 4.030 4.030 4.124 -0.094 19250 238 1 7 . 1 1 11 11 VAL H H 11 8.370 8.370 7.758 0.612 19250 239 1 7 . 1 1 12 12 SER HA H 12 4.210 4.210 4.325 -0.115 19250 240 1 7 . 1 1 12 12 SER H H 12 7.370 7.370 7.925 -0.555 19250 241 1 7 . 1 1 13 13 GLY H H 13 8.150 8.150 8.082 0.068 19250 242 1 7 . 1 1 14 14 GLN HA H 14 4.340 4.340 4.497 -0.157 19250 243 1 7 . 1 1 15 15 TYR HA H 15 4.890 4.890 4.836 0.054 19250 244 1 7 . 1 1 15 15 TYR H H 15 7.180 7.180 8.445 -1.265 19250 245 1 7 . 1 1 16 16 TRP HA H 16 4.440 4.440 4.481 -0.041 19250 246 1 7 . 1 1 16 16 TRP H H 16 8.190 8.190 8.714 -0.524 19250 247 1 7 . 1 1 17 17 ASP HA H 17 4.500 4.500 4.663 -0.163 19250 248 1 7 . 1 1 17 17 ASP H H 17 7.560 7.560 8.231 -0.671 19250 249 1 7 . 1 1 18 18 GLN HA H 18 3.950 3.950 4.082 -0.132 19250 250 1 7 . 1 1 18 18 GLN H H 18 7.620 7.620 7.229 0.391 19250 251 1 7 . 1 1 19 19 HIS HA H 19 4.540 4.540 4.549 -0.009 19250 252 1 7 . 1 1 19 19 HIS H H 19 8.090 8.090 8.796 -0.706 19250 253 1 7 . 1 1 20 20 ALA HA H 20 4.480 4.480 4.607 -0.127 19250 254 1 7 . 1 1 20 20 ALA H H 20 8.230 8.230 8.111 0.119 19250 255 1 7 . 1 1 21 21 PRO HA H 21 4.350 4.350 4.440 -0.090 19250 256 1 7 . 1 1 22 22 LEU HA H 22 4.250 4.250 4.655 -0.405 19250 257 1 7 . 1 1 22 22 LEU H H 22 7.890 7.890 7.269 0.621 19250 258 1 7 . 1 1 23 23 ALA HA H 23 4.260 4.260 4.603 -0.343 19250 259 1 7 . 1 1 23 23 ALA H H 23 7.880 7.880 8.564 -0.684 19250 260 1 8 . 1 1 2 2 PRO HA H 2 4.440 4.440 4.615 -0.175 19250 261 1 8 . 1 1 3 3 THR HA H 3 4.630 4.630 4.746 -0.116 19250 262 1 8 . 1 1 3 3 THR H H 3 7.820 7.820 7.852 -0.032 19250 263 1 8 . 1 1 4 4 PRO HA H 4 4.440 4.440 4.527 -0.087 19250 264 1 8 . 1 1 5 5 MET HA H 5 4.500 4.500 4.495 0.005 19250 265 1 8 . 1 1 5 5 MET H H 5 7.930 7.930 7.782 0.148 19250 266 1 8 . 1 1 6 6 VAL HA H 6 4.130 4.130 4.584 -0.454 19250 267 1 8 . 1 1 6 6 VAL H H 6 8.350 8.350 7.959 0.391 19250 268 1 8 . 1 1 7 7 GLY H H 7 7.210 7.210 8.361 -1.151 19250 269 1 8 . 1 1 8 8 LEU HA H 8 4.460 4.460 3.628 0.832 19250 270 1 8 . 1 1 9 9 ASP HA H 9 4.450 4.450 4.508 -0.058 19250 271 1 8 . 1 1 9 9 ASP H H 9 8.020 8.020 8.426 -0.406 19250 272 1 8 . 1 1 10 10 SER HA H 10 4.220 4.220 4.151 0.069 19250 273 1 8 . 1 1 10 10 SER H H 10 7.330 7.330 8.696 -1.366 19250 274 1 8 . 1 1 11 11 VAL HA H 11 4.030 4.030 4.096 -0.066 19250 275 1 8 . 1 1 11 11 VAL H H 11 8.370 8.370 7.640 0.730 19250 276 1 8 . 1 1 12 12 SER HA H 12 4.210 4.210 4.394 -0.184 19250 277 1 8 . 1 1 12 12 SER H H 12 7.370 7.370 8.137 -0.767 19250 278 1 8 . 1 1 13 13 GLY H H 13 8.150 8.150 8.362 -0.212 19250 279 1 8 . 1 1 14 14 GLN HA H 14 4.340 4.340 4.532 -0.192 19250 280 1 8 . 1 1 15 15 TYR HA H 15 4.890 4.890 4.801 0.089 19250 281 1 8 . 1 1 15 15 TYR H H 15 7.180 7.180 8.528 -1.348 19250 282 1 8 . 1 1 16 16 TRP HA H 16 4.440 4.440 4.548 -0.108 19250 283 1 8 . 1 1 16 16 TRP H H 16 8.190 8.190 8.561 -0.371 19250 284 1 8 . 1 1 17 17 ASP HA H 17 4.500 4.500 4.584 -0.084 19250 285 1 8 . 1 1 17 17 ASP H H 17 7.560 7.560 8.568 -1.008 19250 286 1 8 . 1 1 18 18 GLN HA H 18 3.950 3.950 4.129 -0.179 19250 287 1 8 . 1 1 18 18 GLN H H 18 7.620 7.620 7.282 0.338 19250 288 1 8 . 1 1 19 19 HIS HA H 19 4.540 4.540 4.442 0.098 19250 289 1 8 . 1 1 19 19 HIS H H 19 8.090 8.090 8.831 -0.741 19250 290 1 8 . 1 1 20 20 ALA HA H 20 4.480 4.480 4.620 -0.140 19250 291 1 8 . 1 1 20 20 ALA H H 20 8.230 8.230 8.053 0.177 19250 292 1 8 . 1 1 21 21 PRO HA H 21 4.350 4.350 4.432 -0.082 19250 293 1 8 . 1 1 22 22 LEU HA H 22 4.250 4.250 4.577 -0.327 19250 294 1 8 . 1 1 22 22 LEU H H 22 7.890 7.890 7.253 0.637 19250 295 1 8 . 1 1 23 23 ALA HA H 23 4.260 4.260 4.569 -0.309 19250 296 1 8 . 1 1 23 23 ALA H H 23 7.880 7.880 8.431 -0.551 19250 297 1 9 . 1 1 2 2 PRO HA H 2 4.440 4.440 4.567 -0.127 19250 298 1 9 . 1 1 3 3 THR HA H 3 4.630 4.630 4.714 -0.084 19250 299 1 9 . 1 1 3 3 THR H H 3 7.820 7.820 7.959 -0.139 19250 300 1 9 . 1 1 4 4 PRO HA H 4 4.440 4.440 4.651 -0.211 19250 301 1 9 . 1 1 5 5 MET HA H 5 4.500 4.500 4.293 0.207 19250 302 1 9 . 1 1 5 5 MET H H 5 7.930 7.930 7.590 0.340 19250 303 1 9 . 1 1 6 6 VAL HA H 6 4.130 4.130 4.291 -0.161 19250 304 1 9 . 1 1 6 6 VAL H H 6 8.350 8.350 8.366 -0.016 19250 305 1 9 . 1 1 7 7 GLY H H 7 7.210 7.210 7.839 -0.629 19250 306 1 9 . 1 1 8 8 LEU HA H 8 4.460 4.460 3.762 0.698 19250 307 1 9 . 1 1 9 9 ASP HA H 9 4.450 4.450 4.589 -0.139 19250 308 1 9 . 1 1 9 9 ASP H H 9 8.020 8.020 8.494 -0.474 19250 309 1 9 . 1 1 10 10 SER HA H 10 4.220 4.220 4.151 0.069 19250 310 1 9 . 1 1 10 10 SER H H 10 7.330 7.330 8.561 -1.231 19250 311 1 9 . 1 1 11 11 VAL HA H 11 4.030 4.030 4.218 -0.188 19250 312 1 9 . 1 1 11 11 VAL H H 11 8.370 8.370 7.857 0.513 19250 313 1 9 . 1 1 12 12 SER HA H 12 4.210 4.210 4.385 -0.175 19250 314 1 9 . 1 1 12 12 SER H H 12 7.370 7.370 7.552 -0.182 19250 315 1 9 . 1 1 13 13 GLY H H 13 8.150 8.150 8.029 0.121 19250 316 1 9 . 1 1 14 14 GLN HA H 14 4.340 4.340 4.516 -0.176 19250 317 1 9 . 1 1 15 15 TYR HA H 15 4.890 4.890 4.806 0.084 19250 318 1 9 . 1 1 15 15 TYR H H 15 7.180 7.180 8.390 -1.210 19250 319 1 9 . 1 1 16 16 TRP HA H 16 4.440 4.440 4.414 0.026 19250 320 1 9 . 1 1 16 16 TRP H H 16 8.190 8.190 8.567 -0.377 19250 321 1 9 . 1 1 17 17 ASP HA H 17 4.500 4.500 4.464 0.036 19250 322 1 9 . 1 1 17 17 ASP H H 17 7.560 7.560 8.563 -1.003 19250 323 1 9 . 1 1 18 18 GLN HA H 18 3.950 3.950 3.986 -0.036 19250 324 1 9 . 1 1 18 18 GLN H H 18 7.620 7.620 7.477 0.143 19250 325 1 9 . 1 1 19 19 HIS HA H 19 4.540 4.540 4.477 0.063 19250 326 1 9 . 1 1 19 19 HIS H H 19 8.090 8.090 8.801 -0.711 19250 327 1 9 . 1 1 20 20 ALA HA H 20 4.480 4.480 4.630 -0.150 19250 328 1 9 . 1 1 20 20 ALA H H 20 8.230 8.230 8.129 0.101 19250 329 1 9 . 1 1 21 21 PRO HA H 21 4.350 4.350 4.492 -0.142 19250 330 1 9 . 1 1 22 22 LEU HA H 22 4.250 4.250 4.729 -0.479 19250 331 1 9 . 1 1 22 22 LEU H H 22 7.890 7.890 7.304 0.586 19250 332 1 9 . 1 1 23 23 ALA HA H 23 4.260 4.260 4.641 -0.381 19250 333 1 9 . 1 1 23 23 ALA H H 23 7.880 7.880 8.416 -0.536 19250 334 1 10 . 1 1 2 2 PRO HA H 2 4.440 4.440 4.697 -0.257 19250 335 1 10 . 1 1 3 3 THR HA H 3 4.630 4.630 4.825 -0.195 19250 336 1 10 . 1 1 3 3 THR H H 3 7.820 7.820 7.783 0.037 19250 337 1 10 . 1 1 4 4 PRO HA H 4 4.440 4.440 4.557 -0.117 19250 338 1 10 . 1 1 5 5 MET HA H 5 4.500 4.500 4.501 -0.001 19250 339 1 10 . 1 1 5 5 MET H H 5 7.930 7.930 7.849 0.081 19250 340 1 10 . 1 1 6 6 VAL HA H 6 4.130 4.130 4.519 -0.389 19250 341 1 10 . 1 1 6 6 VAL H H 6 8.350 8.350 8.102 0.248 19250 342 1 10 . 1 1 7 7 GLY H H 7 7.210 7.210 8.331 -1.121 19250 343 1 10 . 1 1 8 8 LEU HA H 8 4.460 4.460 3.694 0.766 19250 344 1 10 . 1 1 9 9 ASP HA H 9 4.450 4.450 4.219 0.231 19250 345 1 10 . 1 1 9 9 ASP H H 9 8.020 8.020 8.476 -0.456 19250 346 1 10 . 1 1 10 10 SER HA H 10 4.220 4.220 4.116 0.104 19250 347 1 10 . 1 1 10 10 SER H H 10 7.330 7.330 8.839 -1.509 19250 348 1 10 . 1 1 11 11 VAL HA H 11 4.030 4.030 4.036 -0.006 19250 349 1 10 . 1 1 11 11 VAL H H 11 8.370 8.370 7.804 0.566 19250 350 1 10 . 1 1 12 12 SER HA H 12 4.210 4.210 4.312 -0.102 19250 351 1 10 . 1 1 12 12 SER H H 12 7.370 7.370 8.052 -0.682 19250 352 1 10 . 1 1 13 13 GLY H H 13 8.150 8.150 8.029 0.121 19250 353 1 10 . 1 1 14 14 GLN HA H 14 4.340 4.340 4.511 -0.171 19250 354 1 10 . 1 1 15 15 TYR HA H 15 4.890 4.890 4.542 0.348 19250 355 1 10 . 1 1 15 15 TYR H H 15 7.180 7.180 8.639 -1.459 19250 356 1 10 . 1 1 16 16 TRP HA H 16 4.440 4.440 4.430 0.010 19250 357 1 10 . 1 1 16 16 TRP H H 16 8.190 8.190 8.065 0.125 19250 358 1 10 . 1 1 17 17 ASP HA H 17 4.500 4.500 4.535 -0.035 19250 359 1 10 . 1 1 17 17 ASP H H 17 7.560 7.560 8.535 -0.975 19250 360 1 10 . 1 1 18 18 GLN HA H 18 3.950 3.950 4.089 -0.139 19250 361 1 10 . 1 1 18 18 GLN H H 18 7.620 7.620 7.359 0.261 19250 362 1 10 . 1 1 19 19 HIS HA H 19 4.540 4.540 4.460 0.080 19250 363 1 10 . 1 1 19 19 HIS H H 19 8.090 8.090 8.803 -0.713 19250 364 1 10 . 1 1 20 20 ALA HA H 20 4.480 4.480 4.626 -0.146 19250 365 1 10 . 1 1 20 20 ALA H H 20 8.230 8.230 7.991 0.239 19250 366 1 10 . 1 1 21 21 PRO HA H 21 4.350 4.350 4.436 -0.086 19250 367 1 10 . 1 1 22 22 LEU HA H 22 4.250 4.250 4.568 -0.318 19250 368 1 10 . 1 1 22 22 LEU H H 22 7.890 7.890 7.328 0.562 19250 369 1 10 . 1 1 23 23 ALA HA H 23 4.260 4.260 4.641 -0.381 19250 370 1 10 . 1 1 23 23 ALA H H 23 7.880 7.880 8.409 -0.529 19250 371 1 11 . 1 1 2 2 PRO HA H 2 4.440 4.440 4.759 -0.319 19250 372 1 11 . 1 1 3 3 THR HA H 3 4.630 4.630 4.759 -0.129 19250 373 1 11 . 1 1 3 3 THR H H 3 7.820 7.820 7.836 -0.016 19250 374 1 11 . 1 1 4 4 PRO HA H 4 4.440 4.440 4.586 -0.146 19250 375 1 11 . 1 1 5 5 MET HA H 5 4.500 4.500 4.465 0.035 19250 376 1 11 . 1 1 5 5 MET H H 5 7.930 7.930 7.852 0.078 19250 377 1 11 . 1 1 6 6 VAL HA H 6 4.130 4.130 4.518 -0.388 19250 378 1 11 . 1 1 6 6 VAL H H 6 8.350 8.350 8.378 -0.028 19250 379 1 11 . 1 1 7 7 GLY H H 7 7.210 7.210 8.494 -1.284 19250 380 1 11 . 1 1 8 8 LEU HA H 8 4.460 4.460 3.652 0.808 19250 381 1 11 . 1 1 9 9 ASP HA H 9 4.450 4.450 4.314 0.136 19250 382 1 11 . 1 1 9 9 ASP H H 9 8.020 8.020 8.292 -0.272 19250 383 1 11 . 1 1 10 10 SER HA H 10 4.220 4.220 4.131 0.089 19250 384 1 11 . 1 1 10 10 SER H H 10 7.330 7.330 8.780 -1.450 19250 385 1 11 . 1 1 11 11 VAL HA H 11 4.030 4.030 4.042 -0.012 19250 386 1 11 . 1 1 11 11 VAL H H 11 8.370 8.370 7.563 0.807 19250 387 1 11 . 1 1 12 12 SER HA H 12 4.210 4.210 4.397 -0.187 19250 388 1 11 . 1 1 12 12 SER H H 12 7.370 7.370 8.568 -1.198 19250 389 1 11 . 1 1 13 13 GLY H H 13 8.150 8.150 7.926 0.224 19250 390 1 11 . 1 1 14 14 GLN HA H 14 4.340 4.340 4.527 -0.187 19250 391 1 11 . 1 1 15 15 TYR HA H 15 4.890 4.890 4.535 0.355 19250 392 1 11 . 1 1 15 15 TYR H H 15 7.180 7.180 8.682 -1.502 19250 393 1 11 . 1 1 16 16 TRP HA H 16 4.440 4.440 4.397 0.043 19250 394 1 11 . 1 1 16 16 TRP H H 16 8.190 8.190 8.010 0.180 19250 395 1 11 . 1 1 17 17 ASP HA H 17 4.500 4.500 4.672 -0.172 19250 396 1 11 . 1 1 17 17 ASP H H 17 7.560 7.560 7.793 -0.233 19250 397 1 11 . 1 1 18 18 GLN HA H 18 3.950 3.950 4.157 -0.207 19250 398 1 11 . 1 1 18 18 GLN H H 18 7.620 7.620 7.177 0.443 19250 399 1 11 . 1 1 19 19 HIS HA H 19 4.540 4.540 4.504 0.036 19250 400 1 11 . 1 1 19 19 HIS H H 19 8.090 8.090 8.792 -0.702 19250 401 1 11 . 1 1 20 20 ALA HA H 20 4.480 4.480 4.656 -0.176 19250 402 1 11 . 1 1 20 20 ALA H H 20 8.230 8.230 8.042 0.188 19250 403 1 11 . 1 1 21 21 PRO HA H 21 4.350 4.350 4.435 -0.085 19250 404 1 11 . 1 1 22 22 LEU HA H 22 4.250 4.250 4.531 -0.281 19250 405 1 11 . 1 1 22 22 LEU H H 22 7.890 7.890 7.275 0.615 19250 406 1 11 . 1 1 23 23 ALA HA H 23 4.260 4.260 4.492 -0.232 19250 407 1 11 . 1 1 23 23 ALA H H 23 7.880 7.880 8.273 -0.393 19250 408 1 12 . 1 1 2 2 PRO HA H 2 4.440 4.440 4.615 -0.175 19250 409 1 12 . 1 1 3 3 THR HA H 3 4.630 4.630 4.748 -0.118 19250 410 1 12 . 1 1 3 3 THR H H 3 7.820 7.820 7.793 0.027 19250 411 1 12 . 1 1 4 4 PRO HA H 4 4.440 4.440 4.516 -0.076 19250 412 1 12 . 1 1 5 5 MET HA H 5 4.500 4.500 4.520 -0.020 19250 413 1 12 . 1 1 5 5 MET H H 5 7.930 7.930 7.506 0.424 19250 414 1 12 . 1 1 6 6 VAL HA H 6 4.130 4.130 4.558 -0.428 19250 415 1 12 . 1 1 6 6 VAL H H 6 8.350 8.350 8.003 0.347 19250 416 1 12 . 1 1 7 7 GLY H H 7 7.210 7.210 8.403 -1.193 19250 417 1 12 . 1 1 8 8 LEU HA H 8 4.460 4.460 3.666 0.794 19250 418 1 12 . 1 1 9 9 ASP HA H 9 4.450 4.450 4.510 -0.060 19250 419 1 12 . 1 1 9 9 ASP H H 9 8.020 8.020 8.410 -0.390 19250 420 1 12 . 1 1 10 10 SER HA H 10 4.220 4.220 4.150 0.070 19250 421 1 12 . 1 1 10 10 SER H H 10 7.330 7.330 8.685 -1.355 19250 422 1 12 . 1 1 11 11 VAL HA H 11 4.030 4.030 4.070 -0.040 19250 423 1 12 . 1 1 11 11 VAL H H 11 8.370 8.370 7.713 0.657 19250 424 1 12 . 1 1 12 12 SER HA H 12 4.210 4.210 4.338 -0.128 19250 425 1 12 . 1 1 12 12 SER H H 12 7.370 7.370 7.922 -0.552 19250 426 1 12 . 1 1 13 13 GLY H H 13 8.150 8.150 8.243 -0.093 19250 427 1 12 . 1 1 14 14 GLN HA H 14 4.340 4.340 4.562 -0.222 19250 428 1 12 . 1 1 15 15 TYR HA H 15 4.890 4.890 4.821 0.069 19250 429 1 12 . 1 1 15 15 TYR H H 15 7.180 7.180 8.506 -1.326 19250 430 1 12 . 1 1 16 16 TRP HA H 16 4.440 4.440 4.491 -0.051 19250 431 1 12 . 1 1 16 16 TRP H H 16 8.190 8.190 8.095 0.095 19250 432 1 12 . 1 1 17 17 ASP HA H 17 4.500 4.500 4.545 -0.045 19250 433 1 12 . 1 1 17 17 ASP H H 17 7.560 7.560 8.535 -0.975 19250 434 1 12 . 1 1 18 18 GLN HA H 18 3.950 3.950 4.116 -0.166 19250 435 1 12 . 1 1 18 18 GLN H H 18 7.620 7.620 7.240 0.380 19250 436 1 12 . 1 1 19 19 HIS HA H 19 4.540 4.540 4.454 0.086 19250 437 1 12 . 1 1 19 19 HIS H H 19 8.090 8.090 8.821 -0.731 19250 438 1 12 . 1 1 20 20 ALA HA H 20 4.480 4.480 4.620 -0.140 19250 439 1 12 . 1 1 20 20 ALA H H 20 8.230 8.230 8.021 0.209 19250 440 1 12 . 1 1 21 21 PRO HA H 21 4.350 4.350 4.419 -0.069 19250 441 1 12 . 1 1 22 22 LEU HA H 22 4.250 4.250 4.575 -0.325 19250 442 1 12 . 1 1 22 22 LEU H H 22 7.890 7.890 7.268 0.622 19250 443 1 12 . 1 1 23 23 ALA HA H 23 4.260 4.260 4.556 -0.296 19250 444 1 12 . 1 1 23 23 ALA H H 23 7.880 7.880 8.512 -0.632 19250 445 1 13 . 1 1 2 2 PRO HA H 2 4.440 4.440 4.870 -0.430 19250 446 1 13 . 1 1 3 3 THR HA H 3 4.630 4.630 4.808 -0.178 19250 447 1 13 . 1 1 3 3 THR H H 3 7.820 7.820 7.940 -0.120 19250 448 1 13 . 1 1 4 4 PRO HA H 4 4.440 4.440 4.569 -0.129 19250 449 1 13 . 1 1 5 5 MET HA H 5 4.500 4.500 4.494 0.006 19250 450 1 13 . 1 1 5 5 MET H H 5 7.930 7.930 7.683 0.247 19250 451 1 13 . 1 1 6 6 VAL HA H 6 4.130 4.130 4.590 -0.460 19250 452 1 13 . 1 1 6 6 VAL H H 6 8.350 8.350 8.115 0.235 19250 453 1 13 . 1 1 7 7 GLY H H 7 7.210 7.210 8.285 -1.075 19250 454 1 13 . 1 1 8 8 LEU HA H 8 4.460 4.460 3.798 0.662 19250 455 1 13 . 1 1 9 9 ASP HA H 9 4.450 4.450 4.385 0.065 19250 456 1 13 . 1 1 9 9 ASP H H 9 8.020 8.020 8.284 -0.264 19250 457 1 13 . 1 1 10 10 SER HA H 10 4.220 4.220 4.180 0.040 19250 458 1 13 . 1 1 10 10 SER H H 10 7.330 7.330 8.738 -1.408 19250 459 1 13 . 1 1 11 11 VAL HA H 11 4.030 4.030 4.092 -0.062 19250 460 1 13 . 1 1 11 11 VAL H H 11 8.370 8.370 7.711 0.659 19250 461 1 13 . 1 1 12 12 SER HA H 12 4.210 4.210 4.431 -0.221 19250 462 1 13 . 1 1 12 12 SER H H 12 7.370 7.370 8.393 -1.023 19250 463 1 13 . 1 1 13 13 GLY H H 13 8.150 8.150 8.047 0.103 19250 464 1 13 . 1 1 14 14 GLN HA H 14 4.340 4.340 4.539 -0.199 19250 465 1 13 . 1 1 15 15 TYR HA H 15 4.890 4.890 4.533 0.357 19250 466 1 13 . 1 1 15 15 TYR H H 15 7.180 7.180 8.661 -1.481 19250 467 1 13 . 1 1 16 16 TRP HA H 16 4.440 4.440 4.461 -0.021 19250 468 1 13 . 1 1 16 16 TRP H H 16 8.190 8.190 8.098 0.092 19250 469 1 13 . 1 1 17 17 ASP HA H 17 4.500 4.500 4.665 -0.165 19250 470 1 13 . 1 1 17 17 ASP H H 17 7.560 7.560 8.271 -0.711 19250 471 1 13 . 1 1 18 18 GLN HA H 18 3.950 3.950 4.127 -0.177 19250 472 1 13 . 1 1 18 18 GLN H H 18 7.620 7.620 7.224 0.396 19250 473 1 13 . 1 1 19 19 HIS HA H 19 4.540 4.540 4.351 0.189 19250 474 1 13 . 1 1 19 19 HIS H H 19 8.090 8.090 9.181 -1.091 19250 475 1 13 . 1 1 20 20 ALA HA H 20 4.480 4.480 4.514 -0.034 19250 476 1 13 . 1 1 20 20 ALA H H 20 8.230 8.230 7.911 0.319 19250 477 1 13 . 1 1 21 21 PRO HA H 21 4.350 4.350 4.422 -0.072 19250 478 1 13 . 1 1 22 22 LEU HA H 22 4.250 4.250 4.620 -0.370 19250 479 1 13 . 1 1 22 22 LEU H H 22 7.890 7.890 7.264 0.626 19250 480 1 13 . 1 1 23 23 ALA HA H 23 4.260 4.260 4.454 -0.194 19250 481 1 13 . 1 1 23 23 ALA H H 23 7.880 7.880 8.324 -0.444 19250 482 1 14 . 1 1 2 2 PRO HA H 2 4.440 4.440 4.511 -0.071 19250 483 1 14 . 1 1 3 3 THR HA H 3 4.630 4.630 4.832 -0.202 19250 484 1 14 . 1 1 3 3 THR H H 3 7.820 7.820 7.930 -0.110 19250 485 1 14 . 1 1 4 4 PRO HA H 4 4.440 4.440 4.666 -0.226 19250 486 1 14 . 1 1 5 5 MET HA H 5 4.500 4.500 4.228 0.272 19250 487 1 14 . 1 1 5 5 MET H H 5 7.930 7.930 7.782 0.148 19250 488 1 14 . 1 1 6 6 VAL HA H 6 4.130 4.130 4.275 -0.145 19250 489 1 14 . 1 1 6 6 VAL H H 6 8.350 8.350 7.985 0.365 19250 490 1 14 . 1 1 7 7 GLY H H 7 7.210 7.210 8.517 -1.307 19250 491 1 14 . 1 1 8 8 LEU HA H 8 4.460 4.460 3.875 0.585 19250 492 1 14 . 1 1 9 9 ASP HA H 9 4.450 4.450 4.723 -0.273 19250 493 1 14 . 1 1 9 9 ASP H H 9 8.020 8.020 8.226 -0.206 19250 494 1 14 . 1 1 10 10 SER HA H 10 4.220 4.220 4.385 -0.165 19250 495 1 14 . 1 1 10 10 SER H H 10 7.330 7.330 8.875 -1.545 19250 496 1 14 . 1 1 11 11 VAL HA H 11 4.030 4.030 4.271 -0.241 19250 497 1 14 . 1 1 11 11 VAL H H 11 8.370 8.370 7.783 0.587 19250 498 1 14 . 1 1 12 12 SER HA H 12 4.210 4.210 4.587 -0.377 19250 499 1 14 . 1 1 12 12 SER H H 12 7.370 7.370 7.618 -0.248 19250 500 1 14 . 1 1 13 13 GLY H H 13 8.150 8.150 8.982 -0.832 19250 501 1 14 . 1 1 14 14 GLN HA H 14 4.340 4.340 4.440 -0.100 19250 502 1 14 . 1 1 15 15 TYR HA H 15 4.890 4.890 4.709 0.181 19250 503 1 14 . 1 1 15 15 TYR H H 15 7.180 7.180 8.551 -1.371 19250 504 1 14 . 1 1 16 16 TRP HA H 16 4.440 4.440 4.390 0.050 19250 505 1 14 . 1 1 16 16 TRP H H 16 8.190 8.190 9.223 -1.033 19250 506 1 14 . 1 1 17 17 ASP HA H 17 4.500 4.500 4.426 0.074 19250 507 1 14 . 1 1 17 17 ASP H H 17 7.560 7.560 8.814 -1.254 19250 508 1 14 . 1 1 18 18 GLN HA H 18 3.950 3.950 4.008 -0.058 19250 509 1 14 . 1 1 18 18 GLN H H 18 7.620 7.620 7.258 0.362 19250 510 1 14 . 1 1 19 19 HIS HA H 19 4.540 4.540 4.556 -0.016 19250 511 1 14 . 1 1 19 19 HIS H H 19 8.090 8.090 8.949 -0.859 19250 512 1 14 . 1 1 20 20 ALA HA H 20 4.480 4.480 4.508 -0.028 19250 513 1 14 . 1 1 20 20 ALA H H 20 8.230 8.230 7.581 0.649 19250 514 1 14 . 1 1 21 21 PRO HA H 21 4.350 4.350 4.492 -0.142 19250 515 1 14 . 1 1 22 22 LEU HA H 22 4.250 4.250 4.653 -0.403 19250 516 1 14 . 1 1 22 22 LEU H H 22 7.890 7.890 7.459 0.431 19250 517 1 14 . 1 1 23 23 ALA HA H 23 4.260 4.260 4.472 -0.212 19250 518 1 14 . 1 1 23 23 ALA H H 23 7.880 7.880 8.219 -0.339 19250 519 1 15 . 1 1 2 2 PRO HA H 2 4.440 4.440 4.735 -0.295 19250 520 1 15 . 1 1 3 3 THR HA H 3 4.630 4.630 4.834 -0.204 19250 521 1 15 . 1 1 3 3 THR H H 3 7.820 7.820 7.835 -0.015 19250 522 1 15 . 1 1 4 4 PRO HA H 4 4.440 4.440 4.571 -0.131 19250 523 1 15 . 1 1 5 5 MET HA H 5 4.500 4.500 4.449 0.051 19250 524 1 15 . 1 1 5 5 MET H H 5 7.930 7.930 7.816 0.114 19250 525 1 15 . 1 1 6 6 VAL HA H 6 4.130 4.130 4.558 -0.428 19250 526 1 15 . 1 1 6 6 VAL H H 6 8.350 8.350 8.368 -0.018 19250 527 1 15 . 1 1 7 7 GLY H H 7 7.210 7.210 8.343 -1.133 19250 528 1 15 . 1 1 8 8 LEU HA H 8 4.460 4.460 3.756 0.704 19250 529 1 15 . 1 1 9 9 ASP HA H 9 4.450 4.450 4.366 0.084 19250 530 1 15 . 1 1 9 9 ASP H H 9 8.020 8.020 8.347 -0.327 19250 531 1 15 . 1 1 10 10 SER HA H 10 4.220 4.220 4.166 0.054 19250 532 1 15 . 1 1 10 10 SER H H 10 7.330 7.330 8.745 -1.415 19250 533 1 15 . 1 1 11 11 VAL HA H 11 4.030 4.030 4.083 -0.053 19250 534 1 15 . 1 1 11 11 VAL H H 11 8.370 8.370 7.777 0.593 19250 535 1 15 . 1 1 12 12 SER HA H 12 4.210 4.210 4.305 -0.095 19250 536 1 15 . 1 1 12 12 SER H H 12 7.370 7.370 8.226 -0.856 19250 537 1 15 . 1 1 13 13 GLY H H 13 8.150 8.150 8.022 0.128 19250 538 1 15 . 1 1 14 14 GLN HA H 14 4.340 4.340 4.587 -0.247 19250 539 1 15 . 1 1 15 15 TYR HA H 15 4.890 4.890 4.564 0.326 19250 540 1 15 . 1 1 15 15 TYR H H 15 7.180 7.180 8.459 -1.279 19250 541 1 15 . 1 1 16 16 TRP HA H 16 4.440 4.440 4.448 -0.008 19250 542 1 15 . 1 1 16 16 TRP H H 16 8.190 8.190 8.043 0.147 19250 543 1 15 . 1 1 17 17 ASP HA H 17 4.500 4.500 4.485 0.015 19250 544 1 15 . 1 1 17 17 ASP H H 17 7.560 7.560 8.562 -1.002 19250 545 1 15 . 1 1 18 18 GLN HA H 18 3.950 3.950 4.053 -0.103 19250 546 1 15 . 1 1 18 18 GLN H H 18 7.620 7.620 7.268 0.352 19250 547 1 15 . 1 1 19 19 HIS HA H 19 4.540 4.540 4.345 0.195 19250 548 1 15 . 1 1 19 19 HIS H H 19 8.090 8.090 9.082 -0.992 19250 549 1 15 . 1 1 20 20 ALA HA H 20 4.480 4.480 4.520 -0.040 19250 550 1 15 . 1 1 20 20 ALA H H 20 8.230 8.230 7.736 0.494 19250 551 1 15 . 1 1 21 21 PRO HA H 21 4.350 4.350 4.404 -0.054 19250 552 1 15 . 1 1 22 22 LEU HA H 22 4.250 4.250 4.629 -0.379 19250 553 1 15 . 1 1 22 22 LEU H H 22 7.890 7.890 7.261 0.629 19250 554 1 15 . 1 1 23 23 ALA HA H 23 4.260 4.260 4.436 -0.176 19250 555 1 15 . 1 1 23 23 ALA H H 23 7.880 7.880 8.085 -0.205 19250 556 1 16 . 1 1 2 2 PRO HA H 2 4.440 4.440 4.584 -0.144 19250 557 1 16 . 1 1 3 3 THR HA H 3 4.630 4.630 4.747 -0.117 19250 558 1 16 . 1 1 3 3 THR H H 3 7.820 7.820 7.733 0.087 19250 559 1 16 . 1 1 4 4 PRO HA H 4 4.440 4.440 4.495 -0.055 19250 560 1 16 . 1 1 5 5 MET HA H 5 4.500 4.500 4.352 0.148 19250 561 1 16 . 1 1 5 5 MET H H 5 7.930 7.930 7.785 0.145 19250 562 1 16 . 1 1 6 6 VAL HA H 6 4.130 4.130 4.339 -0.209 19250 563 1 16 . 1 1 6 6 VAL H H 6 8.350 8.350 7.892 0.458 19250 564 1 16 . 1 1 7 7 GLY H H 7 7.210 7.210 8.730 -1.520 19250 565 1 16 . 1 1 8 8 LEU HA H 8 4.460 4.460 3.848 0.612 19250 566 1 16 . 1 1 9 9 ASP HA H 9 4.450 4.450 4.803 -0.353 19250 567 1 16 . 1 1 9 9 ASP H H 9 8.020 8.020 8.450 -0.430 19250 568 1 16 . 1 1 10 10 SER HA H 10 4.220 4.220 4.239 -0.019 19250 569 1 16 . 1 1 10 10 SER H H 10 7.330 7.330 8.467 -1.137 19250 570 1 16 . 1 1 11 11 VAL HA H 11 4.030 4.030 3.993 0.037 19250 571 1 16 . 1 1 11 11 VAL H H 11 8.370 8.370 7.668 0.702 19250 572 1 16 . 1 1 12 12 SER HA H 12 4.210 4.210 4.248 -0.038 19250 573 1 16 . 1 1 12 12 SER H H 12 7.370 7.370 8.069 -0.699 19250 574 1 16 . 1 1 13 13 GLY H H 13 8.150 8.150 8.109 0.041 19250 575 1 16 . 1 1 14 14 GLN HA H 14 4.340 4.340 4.424 -0.084 19250 576 1 16 . 1 1 15 15 TYR HA H 15 4.890 4.890 4.820 0.070 19250 577 1 16 . 1 1 15 15 TYR H H 15 7.180 7.180 8.496 -1.317 19250 578 1 16 . 1 1 16 16 TRP HA H 16 4.440 4.440 4.389 0.051 19250 579 1 16 . 1 1 16 16 TRP H H 16 8.190 8.190 8.992 -0.802 19250 580 1 16 . 1 1 17 17 ASP HA H 17 4.500 4.500 4.449 0.051 19250 581 1 16 . 1 1 17 17 ASP H H 17 7.560 7.560 8.602 -1.042 19250 582 1 16 . 1 1 18 18 GLN HA H 18 3.950 3.950 3.998 -0.048 19250 583 1 16 . 1 1 18 18 GLN H H 18 7.620 7.620 6.896 0.724 19250 584 1 16 . 1 1 19 19 HIS HA H 19 4.540 4.540 4.460 0.080 19250 585 1 16 . 1 1 19 19 HIS H H 19 8.090 8.090 8.808 -0.718 19250 586 1 16 . 1 1 20 20 ALA HA H 20 4.480 4.480 4.623 -0.143 19250 587 1 16 . 1 1 20 20 ALA H H 20 8.230 8.230 7.969 0.261 19250 588 1 16 . 1 1 21 21 PRO HA H 21 4.350 4.350 4.428 -0.078 19250 589 1 16 . 1 1 22 22 LEU HA H 22 4.250 4.250 4.581 -0.331 19250 590 1 16 . 1 1 22 22 LEU H H 22 7.890 7.890 7.347 0.543 19250 591 1 16 . 1 1 23 23 ALA HA H 23 4.260 4.260 4.638 -0.378 19250 592 1 16 . 1 1 23 23 ALA H H 23 7.880 7.880 8.369 -0.489 19250 593 1 17 . 1 1 2 2 PRO HA H 2 4.440 4.440 4.682 -0.242 19250 594 1 17 . 1 1 3 3 THR HA H 3 4.630 4.630 4.628 0.002 19250 595 1 17 . 1 1 3 3 THR H H 3 7.820 7.820 7.423 0.397 19250 596 1 17 . 1 1 4 4 PRO HA H 4 4.440 4.440 4.546 -0.106 19250 597 1 17 . 1 1 5 5 MET HA H 5 4.500 4.500 4.609 -0.109 19250 598 1 17 . 1 1 5 5 MET H H 5 7.930 7.930 7.738 0.192 19250 599 1 17 . 1 1 6 6 VAL HA H 6 4.130 4.130 4.578 -0.448 19250 600 1 17 . 1 1 6 6 VAL H H 6 8.350 8.350 8.109 0.241 19250 601 1 17 . 1 1 7 7 GLY H H 7 7.210 7.210 8.318 -1.108 19250 602 1 17 . 1 1 8 8 LEU HA H 8 4.460 4.460 3.637 0.823 19250 603 1 17 . 1 1 9 9 ASP HA H 9 4.450 4.450 4.477 -0.027 19250 604 1 17 . 1 1 9 9 ASP H H 9 8.020 8.020 8.358 -0.338 19250 605 1 17 . 1 1 10 10 SER HA H 10 4.220 4.220 4.148 0.072 19250 606 1 17 . 1 1 10 10 SER H H 10 7.330 7.330 8.686 -1.356 19250 607 1 17 . 1 1 11 11 VAL HA H 11 4.030 4.030 4.083 -0.053 19250 608 1 17 . 1 1 11 11 VAL H H 11 8.370 8.370 7.655 0.715 19250 609 1 17 . 1 1 12 12 SER HA H 12 4.210 4.210 4.435 -0.225 19250 610 1 17 . 1 1 12 12 SER H H 12 7.370 7.370 8.211 -0.841 19250 611 1 17 . 1 1 13 13 GLY H H 13 8.150 8.150 7.796 0.354 19250 612 1 17 . 1 1 14 14 GLN HA H 14 4.340 4.340 4.437 -0.097 19250 613 1 17 . 1 1 15 15 TYR HA H 15 4.890 4.890 4.867 0.023 19250 614 1 17 . 1 1 15 15 TYR H H 15 7.180 7.180 8.591 -1.411 19250 615 1 17 . 1 1 16 16 TRP HA H 16 4.440 4.440 4.515 -0.075 19250 616 1 17 . 1 1 16 16 TRP H H 16 8.190 8.190 8.995 -0.805 19250 617 1 17 . 1 1 17 17 ASP HA H 17 4.500 4.500 4.674 -0.174 19250 618 1 17 . 1 1 17 17 ASP H H 17 7.560 7.560 8.331 -0.771 19250 619 1 17 . 1 1 18 18 GLN HA H 18 3.950 3.950 4.180 -0.230 19250 620 1 17 . 1 1 18 18 GLN H H 18 7.620 7.620 7.439 0.181 19250 621 1 17 . 1 1 19 19 HIS HA H 19 4.540 4.540 4.473 0.067 19250 622 1 17 . 1 1 19 19 HIS H H 19 8.090 8.090 8.844 -0.754 19250 623 1 17 . 1 1 20 20 ALA HA H 20 4.480 4.480 4.568 -0.088 19250 624 1 17 . 1 1 20 20 ALA H H 20 8.230 8.230 7.886 0.344 19250 625 1 17 . 1 1 21 21 PRO HA H 21 4.350 4.350 4.450 -0.100 19250 626 1 17 . 1 1 22 22 LEU HA H 22 4.250 4.250 4.558 -0.308 19250 627 1 17 . 1 1 22 22 LEU H H 22 7.890 7.890 7.281 0.609 19250 628 1 17 . 1 1 23 23 ALA HA H 23 4.260 4.260 4.425 -0.165 19250 629 1 17 . 1 1 23 23 ALA H H 23 7.880 7.880 7.958 -0.078 19250 630 1 18 . 1 1 2 2 PRO HA H 2 4.440 4.440 4.618 -0.178 19250 631 1 18 . 1 1 3 3 THR HA H 3 4.630 4.630 4.764 -0.134 19250 632 1 18 . 1 1 3 3 THR H H 3 7.820 7.820 8.047 -0.227 19250 633 1 18 . 1 1 4 4 PRO HA H 4 4.440 4.440 4.545 -0.105 19250 634 1 18 . 1 1 5 5 MET HA H 5 4.500 4.500 4.481 0.019 19250 635 1 18 . 1 1 5 5 MET H H 5 7.930 7.930 7.412 0.518 19250 636 1 18 . 1 1 6 6 VAL HA H 6 4.130 4.130 4.460 -0.330 19250 637 1 18 . 1 1 6 6 VAL H H 6 8.350 8.350 8.125 0.225 19250 638 1 18 . 1 1 7 7 GLY H H 7 7.210 7.210 8.299 -1.089 19250 639 1 18 . 1 1 8 8 LEU HA H 8 4.460 4.460 3.695 0.765 19250 640 1 18 . 1 1 9 9 ASP HA H 9 4.450 4.450 4.518 -0.068 19250 641 1 18 . 1 1 9 9 ASP H H 9 8.020 8.020 8.448 -0.428 19250 642 1 18 . 1 1 10 10 SER HA H 10 4.220 4.220 4.155 0.065 19250 643 1 18 . 1 1 10 10 SER H H 10 7.330 7.330 8.653 -1.323 19250 644 1 18 . 1 1 11 11 VAL HA H 11 4.030 4.030 4.136 -0.106 19250 645 1 18 . 1 1 11 11 VAL H H 11 8.370 8.370 7.638 0.732 19250 646 1 18 . 1 1 12 12 SER HA H 12 4.210 4.210 4.387 -0.177 19250 647 1 18 . 1 1 12 12 SER H H 12 7.370 7.370 8.154 -0.784 19250 648 1 18 . 1 1 13 13 GLY H H 13 8.150 8.150 8.293 -0.143 19250 649 1 18 . 1 1 14 14 GLN HA H 14 4.340 4.340 4.512 -0.172 19250 650 1 18 . 1 1 15 15 TYR HA H 15 4.890 4.890 4.833 0.057 19250 651 1 18 . 1 1 15 15 TYR H H 15 7.180 7.180 8.465 -1.285 19250 652 1 18 . 1 1 16 16 TRP HA H 16 4.440 4.440 4.470 -0.030 19250 653 1 18 . 1 1 16 16 TRP H H 16 8.190 8.190 8.318 -0.128 19250 654 1 18 . 1 1 17 17 ASP HA H 17 4.500 4.500 4.433 0.067 19250 655 1 18 . 1 1 17 17 ASP H H 17 7.560 7.560 8.529 -0.969 19250 656 1 18 . 1 1 18 18 GLN HA H 18 3.950 3.950 4.077 -0.127 19250 657 1 18 . 1 1 18 18 GLN H H 18 7.620 7.620 7.193 0.427 19250 658 1 18 . 1 1 19 19 HIS HA H 19 4.540 4.540 4.476 0.064 19250 659 1 18 . 1 1 19 19 HIS H H 19 8.090 8.090 8.883 -0.793 19250 660 1 18 . 1 1 20 20 ALA HA H 20 4.480 4.480 4.548 -0.068 19250 661 1 18 . 1 1 20 20 ALA H H 20 8.230 8.230 7.771 0.459 19250 662 1 18 . 1 1 21 21 PRO HA H 21 4.350 4.350 4.412 -0.062 19250 663 1 18 . 1 1 22 22 LEU HA H 22 4.250 4.250 4.609 -0.359 19250 664 1 18 . 1 1 22 22 LEU H H 22 7.890 7.890 7.264 0.626 19250 665 1 18 . 1 1 23 23 ALA HA H 23 4.260 4.260 4.563 -0.303 19250 666 1 18 . 1 1 23 23 ALA H H 23 7.880 7.880 8.548 -0.668 19250 667 1 19 . 1 1 2 2 PRO HA H 2 4.440 4.440 4.681 -0.241 19250 668 1 19 . 1 1 3 3 THR HA H 3 4.630 4.630 4.708 -0.078 19250 669 1 19 . 1 1 3 3 THR H H 3 7.820 7.820 7.849 -0.029 19250 670 1 19 . 1 1 4 4 PRO HA H 4 4.440 4.440 4.472 -0.032 19250 671 1 19 . 1 1 5 5 MET HA H 5 4.500 4.500 4.497 0.003 19250 672 1 19 . 1 1 5 5 MET H H 5 7.930 7.930 7.646 0.284 19250 673 1 19 . 1 1 6 6 VAL HA H 6 4.130 4.130 4.573 -0.443 19250 674 1 19 . 1 1 6 6 VAL H H 6 8.350 8.350 7.826 0.524 19250 675 1 19 . 1 1 7 7 GLY H H 7 7.210 7.210 8.329 -1.119 19250 676 1 19 . 1 1 8 8 LEU HA H 8 4.460 4.460 3.788 0.672 19250 677 1 19 . 1 1 9 9 ASP HA H 9 4.450 4.450 4.558 -0.108 19250 678 1 19 . 1 1 9 9 ASP H H 9 8.020 8.020 8.329 -0.309 19250 679 1 19 . 1 1 10 10 SER HA H 10 4.220 4.220 4.172 0.048 19250 680 1 19 . 1 1 10 10 SER H H 10 7.330 7.330 8.732 -1.402 19250 681 1 19 . 1 1 11 11 VAL HA H 11 4.030 4.030 4.107 -0.077 19250 682 1 19 . 1 1 11 11 VAL H H 11 8.370 8.370 7.776 0.594 19250 683 1 19 . 1 1 12 12 SER HA H 12 4.210 4.210 4.348 -0.138 19250 684 1 19 . 1 1 12 12 SER H H 12 7.370 7.370 7.788 -0.418 19250 685 1 19 . 1 1 13 13 GLY H H 13 8.150 8.150 8.296 -0.146 19250 686 1 19 . 1 1 14 14 GLN HA H 14 4.340 4.340 4.579 -0.239 19250 687 1 19 . 1 1 15 15 TYR HA H 15 4.890 4.890 4.775 0.115 19250 688 1 19 . 1 1 15 15 TYR H H 15 7.180 7.180 8.576 -1.396 19250 689 1 19 . 1 1 16 16 TRP HA H 16 4.440 4.440 4.549 -0.109 19250 690 1 19 . 1 1 16 16 TRP H H 16 8.190 8.190 8.422 -0.232 19250 691 1 19 . 1 1 17 17 ASP HA H 17 4.500 4.500 4.484 0.016 19250 692 1 19 . 1 1 17 17 ASP H H 17 7.560 7.560 8.518 -0.958 19250 693 1 19 . 1 1 18 18 GLN HA H 18 3.950 3.950 4.002 -0.052 19250 694 1 19 . 1 1 18 18 GLN H H 18 7.620 7.620 7.100 0.520 19250 695 1 19 . 1 1 19 19 HIS HA H 19 4.540 4.540 4.457 0.083 19250 696 1 19 . 1 1 19 19 HIS H H 19 8.090 8.090 8.811 -0.721 19250 697 1 19 . 1 1 20 20 ALA HA H 20 4.480 4.480 4.525 -0.045 19250 698 1 19 . 1 1 20 20 ALA H H 20 8.230 8.230 7.703 0.527 19250 699 1 19 . 1 1 21 21 PRO HA H 21 4.350 4.350 4.422 -0.072 19250 700 1 19 . 1 1 22 22 LEU HA H 22 4.250 4.250 4.608 -0.358 19250 701 1 19 . 1 1 22 22 LEU H H 22 7.890 7.890 7.272 0.618 19250 702 1 19 . 1 1 23 23 ALA HA H 23 4.260 4.260 4.557 -0.297 19250 703 1 19 . 1 1 23 23 ALA H H 23 7.880 7.880 8.589 -0.709 19250 704 1 20 . 1 1 2 2 PRO HA H 2 4.440 4.440 4.717 -0.277 19250 705 1 20 . 1 1 3 3 THR HA H 3 4.630 4.630 4.844 -0.214 19250 706 1 20 . 1 1 3 3 THR H H 3 7.820 7.820 7.875 -0.055 19250 707 1 20 . 1 1 4 4 PRO HA H 4 4.440 4.440 4.582 -0.142 19250 708 1 20 . 1 1 5 5 MET HA H 5 4.500 4.500 4.482 0.018 19250 709 1 20 . 1 1 5 5 MET H H 5 7.930 7.930 7.875 0.055 19250 710 1 20 . 1 1 6 6 VAL HA H 6 4.130 4.130 4.470 -0.340 19250 711 1 20 . 1 1 6 6 VAL H H 6 8.350 8.350 8.159 0.191 19250 712 1 20 . 1 1 7 7 GLY H H 7 7.210 7.210 8.274 -1.064 19250 713 1 20 . 1 1 8 8 LEU HA H 8 4.460 4.460 3.722 0.738 19250 714 1 20 . 1 1 9 9 ASP HA H 9 4.450 4.450 4.413 0.037 19250 715 1 20 . 1 1 9 9 ASP H H 9 8.020 8.020 8.445 -0.425 19250 716 1 20 . 1 1 10 10 SER HA H 10 4.220 4.220 4.128 0.092 19250 717 1 20 . 1 1 10 10 SER H H 10 7.330 7.330 8.835 -1.505 19250 718 1 20 . 1 1 11 11 VAL HA H 11 4.030 4.030 4.055 -0.025 19250 719 1 20 . 1 1 11 11 VAL H H 11 8.370 8.370 7.602 0.768 19250 720 1 20 . 1 1 12 12 SER HA H 12 4.210 4.210 4.425 -0.215 19250 721 1 20 . 1 1 12 12 SER H H 12 7.370 7.370 8.549 -1.179 19250 722 1 20 . 1 1 13 13 GLY H H 13 8.150 8.150 7.837 0.313 19250 723 1 20 . 1 1 14 14 GLN HA H 14 4.340 4.340 4.554 -0.214 19250 724 1 20 . 1 1 15 15 TYR HA H 15 4.890 4.890 4.527 0.363 19250 725 1 20 . 1 1 15 15 TYR H H 15 7.180 7.180 8.722 -1.542 19250 726 1 20 . 1 1 16 16 TRP HA H 16 4.440 4.440 4.433 0.007 19250 727 1 20 . 1 1 16 16 TRP H H 16 8.190 8.190 8.146 0.044 19250 728 1 20 . 1 1 17 17 ASP HA H 17 4.500 4.500 4.387 0.113 19250 729 1 20 . 1 1 17 17 ASP H H 17 7.560 7.560 8.516 -0.956 19250 730 1 20 . 1 1 18 18 GLN HA H 18 3.950 3.950 4.024 -0.074 19250 731 1 20 . 1 1 18 18 GLN H H 18 7.620 7.620 6.757 0.863 19250 732 1 20 . 1 1 19 19 HIS HA H 19 4.540 4.540 4.454 0.086 19250 733 1 20 . 1 1 19 19 HIS H H 19 8.090 8.090 8.858 -0.768 19250 734 1 20 . 1 1 20 20 ALA HA H 20 4.480 4.480 4.554 -0.074 19250 735 1 20 . 1 1 20 20 ALA H H 20 8.230 8.230 7.818 0.412 19250 736 1 20 . 1 1 21 21 PRO HA H 21 4.350 4.350 4.454 -0.104 19250 737 1 20 . 1 1 22 22 LEU HA H 22 4.250 4.250 4.718 -0.468 19250 738 1 20 . 1 1 22 22 LEU H H 22 7.890 7.890 7.244 0.646 19250 739 1 20 . 1 1 23 23 ALA HA H 23 4.260 4.260 4.668 -0.408 19250 740 1 20 . 1 1 23 23 ALA H H 23 7.880 7.880 8.345 -0.465 19250 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 19250 2 1 1 "Average Difference" HA 24 0.282 0.051 0.284 19250 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19250 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19250 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 19250 6 1 1 "Average Difference" HN 17 0.652 0.242 0.623 19250 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19250 8 1 2 "Average Difference" HA 24 0.237 0.087 0.225 19250 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19250 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19250 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 19250 12 1 2 "Average Difference" HN 17 0.788 0.294 0.754 19250 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19250 14 1 3 "Average Difference" HA 24 0.238 0.104 0.219 19250 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19250 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19250 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 19250 18 1 3 "Average Difference" HN 17 0.744 0.305 0.699 19250 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19250 20 1 4 "Average Difference" HA 24 0.332 0.061 0.333 19250 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19250 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19250 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 19250 24 1 4 "Average Difference" HN 17 0.819 0.266 0.799 19250 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19250 26 1 5 "Average Difference" HA 24 0.235 0.083 0.225 19250 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19250 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19250 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 19250 30 1 5 "Average Difference" HN 17 0.757 0.340 0.697 19250 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19250 32 1 6 "Average Difference" HA 24 0.362 0.048 0.367 19250 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19250 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19250 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 19250 36 1 6 "Average Difference" HN 17 0.756 0.257 0.733 19250 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19250 38 1 7 "Average Difference" HA 24 0.267 0.058 0.266 19250 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19250 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19250 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 19250 42 1 7 "Average Difference" HN 17 0.679 0.271 0.642 19250 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19250 44 1 8 "Average Difference" HA 24 0.264 0.060 0.262 19250 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19250 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19250 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 19250 48 1 8 "Average Difference" HN 17 0.730 0.325 0.674 19250 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19250 50 1 9 "Average Difference" HA 24 0.282 0.070 0.279 19250 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19250 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19250 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 19250 54 1 9 "Average Difference" HN 17 0.612 0.277 0.562 19250 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19250 56 1 10 "Average Difference" HA 24 0.275 0.023 0.280 19250 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19250 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19250 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 19250 60 1 10 "Average Difference" HN 17 0.725 0.306 0.677 19250 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 19250 62 1 11 "Average Difference" HA 24 0.265 0.033 0.269 19250 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19250 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 19250 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 19250 66 1 11 "Average Difference" HN 17 0.750 0.267 0.723 19250 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 19250 68 1 12 "Average Difference" HA 24 0.268 0.064 0.266 19250 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19250 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 19250 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 19250 72 1 12 "Average Difference" HN 17 0.715 0.264 0.685 19250 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 19250 74 1 13 "Average Difference" HA 24 0.284 0.052 0.285 19250 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19250 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 19250 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 19250 78 1 13 "Average Difference" HN 17 0.750 0.291 0.713 19250 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 19250 80 1 14 "Average Difference" HA 24 0.229 0.078 0.220 19250 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19250 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 19250 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 19250 84 1 14 "Average Difference" HN 17 0.823 0.386 0.749 19250 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 19250 86 1 15 "Average Difference" HA 24 0.269 0.025 0.274 19250 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19250 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 19250 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 19250 90 1 15 "Average Difference" HN 17 0.726 0.281 0.690 19250 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 19250 92 1 16 "Average Difference" HA 24 0.240 0.028 0.243 19250 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19250 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 19250 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 19250 96 1 16 "Average Difference" HN 17 0.771 0.305 0.730 19250 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 19250 98 1 17 "Average Difference" HA 24 0.262 0.056 0.262 19250 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19250 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 19250 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 19250 102 1 17 "Average Difference" HN 17 0.732 0.260 0.705 19250 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 19250 104 1 18 "Average Difference" HA 24 0.263 0.062 0.261 19250 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19250 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 19250 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 19250 108 1 18 "Average Difference" HN 17 0.733 0.285 0.696 19250 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 19250 110 1 19 "Average Difference" HA 24 0.269 0.064 0.267 19250 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19250 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 19250 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 19250 114 1 19 "Average Difference" HN 17 0.731 0.257 0.706 19250 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 19250 116 1 20 "Average Difference" HA 24 0.277 0.043 0.279 19250 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19250 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 19250 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 19250 120 1 20 "Average Difference" HN 17 0.809 0.275 0.785 19250 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 19250 _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 PRO HA H 2 4.440 4.440 4.668 -0.228 19250 2 1 . 1 1 3 3 THR HA H 3 4.630 4.630 4.739 -0.109 19250 3 1 . 1 1 3 3 THR H H 3 7.820 7.820 7.836 -0.016 19250 4 1 . 1 1 4 4 PRO HA H 4 4.440 4.440 4.570 -0.130 19250 5 1 . 1 1 5 5 MET HA H 5 4.500 4.500 4.465 0.035 19250 6 1 . 1 1 5 5 MET H H 5 7.930 7.930 7.708 0.222 19250 7 1 . 1 1 6 6 VAL HA H 6 4.130 4.130 4.510 -0.380 19250 8 1 . 1 1 6 6 VAL H H 6 8.350 8.350 8.050 0.300 19250 9 1 . 1 1 7 7 GLY H H 7 7.210 7.210 8.422 -1.212 19250 10 1 . 1 1 8 8 LEU HA H 8 4.460 4.460 3.773 0.687 19250 11 1 . 1 1 9 9 ASP HA H 9 4.450 4.450 4.539 -0.089 19250 12 1 . 1 1 9 9 ASP H H 9 8.020 8.020 8.291 -0.271 19250 13 1 . 1 1 10 10 SER HA H 10 4.220 4.220 4.191 0.029 19250 14 1 . 1 1 10 10 SER H H 10 7.330 7.330 8.727 -1.397 19250 15 1 . 1 1 11 11 VAL HA H 11 4.030 4.030 4.122 -0.092 19250 16 1 . 1 1 11 11 VAL H H 11 8.370 8.370 7.751 0.619 19250 17 1 . 1 1 12 12 SER HA H 12 4.210 4.210 4.450 -0.240 19250 18 1 . 1 1 12 12 SER H H 12 7.370 7.370 8.071 -0.701 19250 19 1 . 1 1 13 13 GLY H H 13 8.150 8.150 8.338 -0.188 19250 20 1 . 1 1 14 14 GLN HA H 14 4.340 4.340 4.431 -0.091 19250 21 1 . 1 1 15 15 TYR HA H 15 4.890 4.890 4.741 0.149 19250 22 1 . 1 1 15 15 TYR H H 15 7.180 7.180 8.473 -1.294 19250 23 1 . 1 1 16 16 TRP HA H 16 4.440 4.440 4.452 -0.012 19250 24 1 . 1 1 16 16 TRP H H 16 8.190 8.190 8.331 -0.141 19250 25 1 . 1 1 17 17 ASP HA H 17 4.500 4.500 4.541 -0.041 19250 26 1 . 1 1 17 17 ASP H H 17 7.560 7.560 8.385 -0.825 19250 27 1 . 1 1 18 18 GLN HA H 18 3.950 3.950 4.057 -0.107 19250 28 1 . 1 1 18 18 GLN H H 18 7.620 7.620 7.191 0.428 19250 29 1 . 1 1 19 19 HIS HA H 19 4.540 4.540 4.444 0.096 19250 30 1 . 1 1 19 19 HIS H H 19 8.090 8.090 8.743 -0.653 19250 31 1 . 1 1 20 20 ALA HA H 20 4.480 4.480 4.558 -0.078 19250 32 1 . 1 1 20 20 ALA H H 20 8.230 8.230 8.002 0.228 19250 33 1 . 1 1 21 21 PRO HA H 21 4.350 4.350 4.451 -0.101 19250 34 1 . 1 1 22 22 LEU HA H 22 4.250 4.250 4.619 -0.369 19250 35 1 . 1 1 22 22 LEU H H 22 7.890 7.890 7.411 0.479 19250 36 1 . 1 1 23 23 ALA HA H 23 4.260 4.260 4.579 -0.319 19250 37 1 . 1 1 23 23 ALA H H 23 7.880 7.880 8.353 -0.473 19250 stop_ save_