data_25456 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25456 _Entry.PDB_ID 2MYL 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 25456 _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 SER HA H 2 4.190 4.190 4.661 -0.471 25456 2 1 1 . 1 1 2 2 SER H H 2 7.920 7.920 8.909 -0.989 25456 3 1 1 . 1 1 3 3 GLY H H 3 8.190 8.190 8.119 0.071 25456 4 1 1 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.250 -0.040 25456 5 1 1 . 1 1 4 4 LEU H H 4 7.880 7.880 8.095 -0.215 25456 6 1 1 . 1 1 5 5 SER HA H 5 4.350 4.350 4.480 -0.130 25456 7 1 1 . 1 1 5 5 SER H H 5 8.300 8.300 8.475 -0.175 25456 8 1 1 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.734 -0.883 25456 9 1 1 . 1 1 6 6 PHE H H 6 8.360 8.360 7.606 0.754 25456 10 1 1 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.695 -0.615 25456 11 1 1 . 1 1 10 10 TYR H H 10 7.090 7.090 7.581 -0.491 25456 12 1 1 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.063 0.207 25456 13 1 1 . 1 1 14 14 TYR H H 14 8.120 8.120 8.229 -0.109 25456 14 1 1 . 1 1 15 15 THR HA H 15 4.210 4.210 4.108 0.102 25456 15 1 1 . 1 1 15 15 THR H H 15 7.820 7.820 7.890 -0.070 25456 16 1 1 . 1 1 16 16 MET HA H 16 3.860 3.860 4.358 -0.498 25456 17 1 1 . 1 1 16 16 MET H H 16 7.980 7.980 7.914 0.066 25456 18 1 1 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.736 0.124 25456 19 1 1 . 1 1 17 17 VAL H H 17 7.750 7.750 7.793 -0.043 25456 20 1 1 . 1 1 18 18 LEU HA H 18 4.020 4.020 3.968 0.052 25456 21 1 1 . 1 1 18 18 LEU H H 18 7.740 7.740 7.660 0.080 25456 22 1 1 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.549 -0.029 25456 23 1 1 . 1 1 19 19 HIS H H 19 8.110 8.110 7.726 0.384 25456 24 1 2 . 1 1 2 2 SER HA H 2 4.190 4.190 4.445 -0.255 25456 25 1 2 . 1 1 2 2 SER H H 2 7.920 7.920 8.248 -0.328 25456 26 1 2 . 1 1 3 3 GLY H H 3 8.190 8.190 8.176 0.014 25456 27 1 2 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.184 0.026 25456 28 1 2 . 1 1 4 4 LEU H H 4 7.880 7.880 8.073 -0.193 25456 29 1 2 . 1 1 5 5 SER HA H 5 4.350 4.350 4.355 -0.005 25456 30 1 2 . 1 1 5 5 SER H H 5 8.300 8.300 8.331 -0.031 25456 31 1 2 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.849 -0.999 25456 32 1 2 . 1 1 6 6 PHE H H 6 8.360 8.360 7.445 0.915 25456 33 1 2 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.794 -0.714 25456 34 1 2 . 1 1 10 10 TYR H H 10 7.090 7.090 7.672 -0.582 25456 35 1 2 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.203 0.067 25456 36 1 2 . 1 1 14 14 TYR H H 14 8.120 8.120 8.422 -0.302 25456 37 1 2 . 1 1 15 15 THR HA H 15 4.210 4.210 4.178 0.032 25456 38 1 2 . 1 1 15 15 THR H H 15 7.820 7.820 7.951 -0.131 25456 39 1 2 . 1 1 16 16 MET HA H 16 3.860 3.860 4.357 -0.497 25456 40 1 2 . 1 1 16 16 MET H H 16 7.980 7.980 7.977 0.003 25456 41 1 2 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.777 0.083 25456 42 1 2 . 1 1 17 17 VAL H H 17 7.750 7.750 7.779 -0.029 25456 43 1 2 . 1 1 18 18 LEU HA H 18 4.020 4.020 3.992 0.028 25456 44 1 2 . 1 1 18 18 LEU H H 18 7.740 7.740 7.550 0.190 25456 45 1 2 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.559 -0.039 25456 46 1 2 . 1 1 19 19 HIS H H 19 8.110 8.110 7.763 0.347 25456 47 1 3 . 1 1 2 2 SER HA H 2 4.190 4.190 4.544 -0.354 25456 48 1 3 . 1 1 2 2 SER H H 2 7.920 7.920 8.859 -0.939 25456 49 1 3 . 1 1 3 3 GLY H H 3 8.190 8.190 8.106 0.084 25456 50 1 3 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.252 -0.042 25456 51 1 3 . 1 1 4 4 LEU H H 4 7.880 7.880 8.099 -0.219 25456 52 1 3 . 1 1 5 5 SER HA H 5 4.350 4.350 4.473 -0.123 25456 53 1 3 . 1 1 5 5 SER H H 5 8.300 8.300 8.541 -0.241 25456 54 1 3 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.802 -0.952 25456 55 1 3 . 1 1 6 6 PHE H H 6 8.360 8.360 7.562 0.798 25456 56 1 3 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.842 -0.762 25456 57 1 3 . 1 1 10 10 TYR H H 10 7.090 7.090 7.699 -0.609 25456 58 1 3 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.175 0.095 25456 59 1 3 . 1 1 14 14 TYR H H 14 8.120 8.120 8.366 -0.246 25456 60 1 3 . 1 1 15 15 THR HA H 15 4.210 4.210 4.196 0.014 25456 61 1 3 . 1 1 15 15 THR H H 15 7.820 7.820 7.954 -0.134 25456 62 1 3 . 1 1 16 16 MET HA H 16 3.860 3.860 4.378 -0.518 25456 63 1 3 . 1 1 16 16 MET H H 16 7.980 7.980 7.936 0.044 25456 64 1 3 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.779 0.081 25456 65 1 3 . 1 1 17 17 VAL H H 17 7.750 7.750 7.787 -0.037 25456 66 1 3 . 1 1 18 18 LEU HA H 18 4.020 4.020 4.041 -0.021 25456 67 1 3 . 1 1 18 18 LEU H H 18 7.740 7.740 7.598 0.142 25456 68 1 3 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.579 -0.059 25456 69 1 3 . 1 1 19 19 HIS H H 19 8.110 8.110 7.773 0.337 25456 70 1 4 . 1 1 2 2 SER HA H 2 4.190 4.190 4.651 -0.461 25456 71 1 4 . 1 1 2 2 SER H H 2 7.920 7.920 8.502 -0.582 25456 72 1 4 . 1 1 3 3 GLY H H 3 8.190 8.190 8.218 -0.028 25456 73 1 4 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.324 -0.114 25456 74 1 4 . 1 1 4 4 LEU H H 4 7.880 7.880 8.024 -0.144 25456 75 1 4 . 1 1 5 5 SER HA H 5 4.350 4.350 4.377 -0.027 25456 76 1 4 . 1 1 5 5 SER H H 5 8.300 8.300 8.540 -0.240 25456 77 1 4 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.805 -0.955 25456 78 1 4 . 1 1 6 6 PHE H H 6 8.360 8.360 7.629 0.731 25456 79 1 4 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.782 -0.702 25456 80 1 4 . 1 1 10 10 TYR H H 10 7.090 7.090 7.718 -0.628 25456 81 1 4 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.198 0.072 25456 82 1 4 . 1 1 14 14 TYR H H 14 8.120 8.120 8.389 -0.269 25456 83 1 4 . 1 1 15 15 THR HA H 15 4.210 4.210 4.148 0.062 25456 84 1 4 . 1 1 15 15 THR H H 15 7.820 7.820 7.960 -0.140 25456 85 1 4 . 1 1 16 16 MET HA H 16 3.860 3.860 4.420 -0.560 25456 86 1 4 . 1 1 16 16 MET H H 16 7.980 7.980 7.929 0.051 25456 87 1 4 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.701 0.159 25456 88 1 4 . 1 1 17 17 VAL H H 17 7.750 7.750 7.754 -0.004 25456 89 1 4 . 1 1 18 18 LEU HA H 18 4.020 4.020 3.931 0.089 25456 90 1 4 . 1 1 18 18 LEU H H 18 7.740 7.740 7.597 0.143 25456 91 1 4 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.424 0.096 25456 92 1 4 . 1 1 19 19 HIS H H 19 8.110 8.110 7.764 0.346 25456 93 1 5 . 1 1 2 2 SER HA H 2 4.190 4.190 4.808 -0.618 25456 94 1 5 . 1 1 2 2 SER H H 2 7.920 7.920 9.079 -1.159 25456 95 1 5 . 1 1 3 3 GLY H H 3 8.190 8.190 8.395 -0.205 25456 96 1 5 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.653 -0.443 25456 97 1 5 . 1 1 4 4 LEU H H 4 7.880 7.880 7.895 -0.015 25456 98 1 5 . 1 1 5 5 SER HA H 5 4.350 4.350 4.244 0.106 25456 99 1 5 . 1 1 5 5 SER H H 5 8.300 8.300 8.033 0.267 25456 100 1 5 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.502 -0.652 25456 101 1 5 . 1 1 6 6 PHE H H 6 8.360 8.360 8.094 0.266 25456 102 1 5 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.718 -0.638 25456 103 1 5 . 1 1 10 10 TYR H H 10 7.090 7.090 7.651 -0.561 25456 104 1 5 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.195 0.075 25456 105 1 5 . 1 1 14 14 TYR H H 14 8.120 8.120 8.499 -0.379 25456 106 1 5 . 1 1 15 15 THR HA H 15 4.210 4.210 4.181 0.029 25456 107 1 5 . 1 1 15 15 THR H H 15 7.820 7.820 8.141 -0.321 25456 108 1 5 . 1 1 16 16 MET HA H 16 3.860 3.860 4.360 -0.500 25456 109 1 5 . 1 1 16 16 MET H H 16 7.980 7.980 7.896 0.084 25456 110 1 5 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.708 0.152 25456 111 1 5 . 1 1 17 17 VAL H H 17 7.750 7.750 7.716 0.034 25456 112 1 5 . 1 1 18 18 LEU HA H 18 4.020 4.020 3.979 0.041 25456 113 1 5 . 1 1 18 18 LEU H H 18 7.740 7.740 7.570 0.170 25456 114 1 5 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.556 -0.036 25456 115 1 5 . 1 1 19 19 HIS H H 19 8.110 8.110 7.752 0.358 25456 116 1 6 . 1 1 2 2 SER HA H 2 4.190 4.190 4.494 -0.304 25456 117 1 6 . 1 1 2 2 SER H H 2 7.920 7.920 8.474 -0.554 25456 118 1 6 . 1 1 3 3 GLY H H 3 8.190 8.190 8.323 -0.133 25456 119 1 6 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.833 -0.623 25456 120 1 6 . 1 1 4 4 LEU H H 4 7.880 7.880 7.923 -0.043 25456 121 1 6 . 1 1 5 5 SER HA H 5 4.350 4.350 4.553 -0.203 25456 122 1 6 . 1 1 5 5 SER H H 5 8.300 8.300 7.999 0.301 25456 123 1 6 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.696 -0.846 25456 124 1 6 . 1 1 6 6 PHE H H 6 8.360 8.360 8.112 0.248 25456 125 1 6 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.677 -0.597 25456 126 1 6 . 1 1 10 10 TYR H H 10 7.090 7.090 7.578 -0.488 25456 127 1 6 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.188 0.082 25456 128 1 6 . 1 1 14 14 TYR H H 14 8.120 8.120 8.509 -0.389 25456 129 1 6 . 1 1 15 15 THR HA H 15 4.210 4.210 4.162 0.048 25456 130 1 6 . 1 1 15 15 THR H H 15 7.820 7.820 7.976 -0.156 25456 131 1 6 . 1 1 16 16 MET HA H 16 3.860 3.860 4.453 -0.593 25456 132 1 6 . 1 1 16 16 MET H H 16 7.980 7.980 7.852 0.128 25456 133 1 6 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.785 0.075 25456 134 1 6 . 1 1 17 17 VAL H H 17 7.750 7.750 7.807 -0.057 25456 135 1 6 . 1 1 18 18 LEU HA H 18 4.020 4.020 3.954 0.066 25456 136 1 6 . 1 1 18 18 LEU H H 18 7.740 7.740 7.650 0.090 25456 137 1 6 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.544 -0.024 25456 138 1 6 . 1 1 19 19 HIS H H 19 8.110 8.110 7.727 0.383 25456 139 1 7 . 1 1 2 2 SER HA H 2 4.190 4.190 4.592 -0.402 25456 140 1 7 . 1 1 2 2 SER H H 2 7.920 7.920 8.835 -0.915 25456 141 1 7 . 1 1 3 3 GLY H H 3 8.190 8.190 8.118 0.072 25456 142 1 7 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.356 -0.146 25456 143 1 7 . 1 1 4 4 LEU H H 4 7.880 7.880 7.815 0.065 25456 144 1 7 . 1 1 5 5 SER HA H 5 4.350 4.350 4.417 -0.067 25456 145 1 7 . 1 1 5 5 SER H H 5 8.300 8.300 8.166 0.134 25456 146 1 7 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.802 -0.952 25456 147 1 7 . 1 1 6 6 PHE H H 6 8.360 8.360 7.342 1.018 25456 148 1 7 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.798 -0.718 25456 149 1 7 . 1 1 10 10 TYR H H 10 7.090 7.090 7.684 -0.594 25456 150 1 7 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.103 0.167 25456 151 1 7 . 1 1 14 14 TYR H H 14 8.120 8.120 8.395 -0.275 25456 152 1 7 . 1 1 15 15 THR HA H 15 4.210 4.210 4.184 0.026 25456 153 1 7 . 1 1 15 15 THR H H 15 7.820 7.820 7.733 0.087 25456 154 1 7 . 1 1 16 16 MET HA H 16 3.860 3.860 4.363 -0.503 25456 155 1 7 . 1 1 16 16 MET H H 16 7.980 7.980 7.890 0.090 25456 156 1 7 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.691 0.169 25456 157 1 7 . 1 1 17 17 VAL H H 17 7.750 7.750 7.866 -0.116 25456 158 1 7 . 1 1 18 18 LEU HA H 18 4.020 4.020 4.064 -0.044 25456 159 1 7 . 1 1 18 18 LEU H H 18 7.740 7.740 7.810 -0.070 25456 160 1 7 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.575 -0.055 25456 161 1 7 . 1 1 19 19 HIS H H 19 8.110 8.110 7.772 0.338 25456 162 1 8 . 1 1 2 2 SER HA H 2 4.190 4.190 4.730 -0.540 25456 163 1 8 . 1 1 2 2 SER H H 2 7.920 7.920 8.836 -0.916 25456 164 1 8 . 1 1 3 3 GLY H H 3 8.190 8.190 8.184 0.006 25456 165 1 8 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.353 -0.143 25456 166 1 8 . 1 1 4 4 LEU H H 4 7.880 7.880 7.999 -0.119 25456 167 1 8 . 1 1 5 5 SER HA H 5 4.350 4.350 4.562 -0.212 25456 168 1 8 . 1 1 5 5 SER H H 5 8.300 8.300 8.409 -0.109 25456 169 1 8 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.860 -1.010 25456 170 1 8 . 1 1 6 6 PHE H H 6 8.360 8.360 7.468 0.892 25456 171 1 8 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.705 -0.625 25456 172 1 8 . 1 1 10 10 TYR H H 10 7.090 7.090 7.706 -0.616 25456 173 1 8 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.158 0.112 25456 174 1 8 . 1 1 14 14 TYR H H 14 8.120 8.120 8.356 -0.236 25456 175 1 8 . 1 1 15 15 THR HA H 15 4.210 4.210 4.137 0.073 25456 176 1 8 . 1 1 15 15 THR H H 15 7.820 7.820 7.720 0.100 25456 177 1 8 . 1 1 16 16 MET HA H 16 3.860 3.860 4.319 -0.459 25456 178 1 8 . 1 1 16 16 MET H H 16 7.980 7.980 7.963 0.017 25456 179 1 8 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.696 0.164 25456 180 1 8 . 1 1 17 17 VAL H H 17 7.750 7.750 7.815 -0.065 25456 181 1 8 . 1 1 18 18 LEU HA H 18 4.020 4.020 3.953 0.067 25456 182 1 8 . 1 1 18 18 LEU H H 18 7.740 7.740 7.658 0.082 25456 183 1 8 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.551 -0.031 25456 184 1 8 . 1 1 19 19 HIS H H 19 8.110 8.110 7.713 0.397 25456 185 1 9 . 1 1 2 2 SER HA H 2 4.190 4.190 4.619 -0.429 25456 186 1 9 . 1 1 2 2 SER H H 2 7.920 7.920 8.872 -0.952 25456 187 1 9 . 1 1 3 3 GLY H H 3 8.190 8.190 8.252 -0.062 25456 188 1 9 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.629 -0.419 25456 189 1 9 . 1 1 4 4 LEU H H 4 7.880 7.880 7.990 -0.110 25456 190 1 9 . 1 1 5 5 SER HA H 5 4.350 4.350 4.591 -0.241 25456 191 1 9 . 1 1 5 5 SER H H 5 8.300 8.300 8.246 0.054 25456 192 1 9 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.785 -0.935 25456 193 1 9 . 1 1 6 6 PHE H H 6 8.360 8.360 8.029 0.331 25456 194 1 9 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.720 -0.639 25456 195 1 9 . 1 1 10 10 TYR H H 10 7.090 7.090 7.623 -0.533 25456 196 1 9 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.187 0.083 25456 197 1 9 . 1 1 14 14 TYR H H 14 8.120 8.120 8.511 -0.391 25456 198 1 9 . 1 1 15 15 THR HA H 15 4.210 4.210 4.169 0.041 25456 199 1 9 . 1 1 15 15 THR H H 15 7.820 7.820 7.989 -0.169 25456 200 1 9 . 1 1 16 16 MET HA H 16 3.860 3.860 4.489 -0.629 25456 201 1 9 . 1 1 16 16 MET H H 16 7.980 7.980 7.839 0.141 25456 202 1 9 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.784 0.076 25456 203 1 9 . 1 1 17 17 VAL H H 17 7.750 7.750 7.804 -0.054 25456 204 1 9 . 1 1 18 18 LEU HA H 18 4.020 4.020 3.943 0.077 25456 205 1 9 . 1 1 18 18 LEU H H 18 7.740 7.740 7.626 0.114 25456 206 1 9 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.420 0.100 25456 207 1 9 . 1 1 19 19 HIS H H 19 8.110 8.110 7.760 0.350 25456 208 1 10 . 1 1 2 2 SER HA H 2 4.190 4.190 4.805 -0.615 25456 209 1 10 . 1 1 2 2 SER H H 2 7.920 7.920 8.949 -1.029 25456 210 1 10 . 1 1 3 3 GLY H H 3 8.190 8.190 8.124 0.066 25456 211 1 10 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.400 -0.190 25456 212 1 10 . 1 1 4 4 LEU H H 4 7.880 7.880 8.144 -0.264 25456 213 1 10 . 1 1 5 5 SER HA H 5 4.350 4.350 4.471 -0.121 25456 214 1 10 . 1 1 5 5 SER H H 5 8.300 8.300 8.288 0.012 25456 215 1 10 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.805 -0.955 25456 216 1 10 . 1 1 6 6 PHE H H 6 8.360 8.360 7.859 0.501 25456 217 1 10 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.674 -0.594 25456 218 1 10 . 1 1 10 10 TYR H H 10 7.090 7.090 7.673 -0.583 25456 219 1 10 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.146 0.124 25456 220 1 10 . 1 1 14 14 TYR H H 14 8.120 8.120 8.410 -0.290 25456 221 1 10 . 1 1 15 15 THR HA H 15 4.210 4.210 4.198 0.012 25456 222 1 10 . 1 1 15 15 THR H H 15 7.820 7.820 7.943 -0.123 25456 223 1 10 . 1 1 16 16 MET HA H 16 3.860 3.860 4.384 -0.524 25456 224 1 10 . 1 1 16 16 MET H H 16 7.980 7.980 7.911 0.069 25456 225 1 10 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.725 0.135 25456 226 1 10 . 1 1 17 17 VAL H H 17 7.750 7.750 7.906 -0.156 25456 227 1 10 . 1 1 18 18 LEU HA H 18 4.020 4.020 4.018 0.002 25456 228 1 10 . 1 1 18 18 LEU H H 18 7.740 7.740 7.624 0.116 25456 229 1 10 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.574 -0.054 25456 230 1 10 . 1 1 19 19 HIS H H 19 8.110 8.110 7.760 0.350 25456 231 1 11 . 1 1 2 2 SER HA H 2 4.190 4.190 4.643 -0.453 25456 232 1 11 . 1 1 2 2 SER H H 2 7.920 7.920 9.064 -1.144 25456 233 1 11 . 1 1 3 3 GLY H H 3 8.190 8.190 8.191 -0.001 25456 234 1 11 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.613 -0.403 25456 235 1 11 . 1 1 4 4 LEU H H 4 7.880 7.880 8.108 -0.228 25456 236 1 11 . 1 1 5 5 SER HA H 5 4.350 4.350 4.366 -0.016 25456 237 1 11 . 1 1 5 5 SER H H 5 8.300 8.300 8.524 -0.224 25456 238 1 11 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.799 -0.949 25456 239 1 11 . 1 1 6 6 PHE H H 6 8.360 8.360 7.451 0.909 25456 240 1 11 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.751 -0.671 25456 241 1 11 . 1 1 10 10 TYR H H 10 7.090 7.090 7.728 -0.638 25456 242 1 11 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.140 0.130 25456 243 1 11 . 1 1 14 14 TYR H H 14 8.120 8.120 8.464 -0.344 25456 244 1 11 . 1 1 15 15 THR HA H 15 4.210 4.210 4.161 0.049 25456 245 1 11 . 1 1 15 15 THR H H 15 7.820 7.820 8.048 -0.228 25456 246 1 11 . 1 1 16 16 MET HA H 16 3.860 3.860 4.378 -0.518 25456 247 1 11 . 1 1 16 16 MET H H 16 7.980 7.980 7.937 0.043 25456 248 1 11 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.719 0.141 25456 249 1 11 . 1 1 17 17 VAL H H 17 7.750 7.750 7.928 -0.178 25456 250 1 11 . 1 1 18 18 LEU HA H 18 4.020 4.020 3.904 0.116 25456 251 1 11 . 1 1 18 18 LEU H H 18 7.740 7.740 7.506 0.234 25456 252 1 11 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.544 -0.024 25456 253 1 11 . 1 1 19 19 HIS H H 19 8.110 8.110 7.705 0.405 25456 254 1 12 . 1 1 2 2 SER HA H 2 4.190 4.190 4.419 -0.229 25456 255 1 12 . 1 1 2 2 SER H H 2 7.920 7.920 8.918 -0.998 25456 256 1 12 . 1 1 3 3 GLY H H 3 8.190 8.190 8.184 0.006 25456 257 1 12 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.764 -0.554 25456 258 1 12 . 1 1 4 4 LEU H H 4 7.880 7.880 7.959 -0.079 25456 259 1 12 . 1 1 5 5 SER HA H 5 4.350 4.350 4.638 -0.288 25456 260 1 12 . 1 1 5 5 SER H H 5 8.300 8.300 8.353 -0.053 25456 261 1 12 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.732 -0.882 25456 262 1 12 . 1 1 6 6 PHE H H 6 8.360 8.360 8.170 0.190 25456 263 1 12 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.738 -0.658 25456 264 1 12 . 1 1 10 10 TYR H H 10 7.090 7.090 7.696 -0.606 25456 265 1 12 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.053 0.217 25456 266 1 12 . 1 1 14 14 TYR H H 14 8.120 8.120 8.248 -0.128 25456 267 1 12 . 1 1 15 15 THR HA H 15 4.210 4.210 4.133 0.077 25456 268 1 12 . 1 1 15 15 THR H H 15 7.820 7.820 7.704 0.116 25456 269 1 12 . 1 1 16 16 MET HA H 16 3.860 3.860 4.340 -0.480 25456 270 1 12 . 1 1 16 16 MET H H 16 7.980 7.980 7.908 0.072 25456 271 1 12 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.688 0.172 25456 272 1 12 . 1 1 17 17 VAL H H 17 7.750 7.750 7.628 0.122 25456 273 1 12 . 1 1 18 18 LEU HA H 18 4.020 4.020 3.954 0.066 25456 274 1 12 . 1 1 18 18 LEU H H 18 7.740 7.740 7.493 0.247 25456 275 1 12 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.541 -0.021 25456 276 1 12 . 1 1 19 19 HIS H H 19 8.110 8.110 7.743 0.367 25456 277 1 13 . 1 1 2 2 SER HA H 2 4.190 4.190 4.645 -0.455 25456 278 1 13 . 1 1 2 2 SER H H 2 7.920 7.920 8.790 -0.870 25456 279 1 13 . 1 1 3 3 GLY H H 3 8.190 8.190 8.341 -0.151 25456 280 1 13 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.693 -0.483 25456 281 1 13 . 1 1 4 4 LEU H H 4 7.880 7.880 7.877 0.003 25456 282 1 13 . 1 1 5 5 SER HA H 5 4.350 4.350 4.320 0.030 25456 283 1 13 . 1 1 5 5 SER H H 5 8.300 8.300 8.064 0.236 25456 284 1 13 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.467 -0.617 25456 285 1 13 . 1 1 6 6 PHE H H 6 8.360 8.360 8.255 0.105 25456 286 1 13 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.722 -0.642 25456 287 1 13 . 1 1 10 10 TYR H H 10 7.090 7.090 7.669 -0.579 25456 288 1 13 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.047 0.223 25456 289 1 13 . 1 1 14 14 TYR H H 14 8.120 8.120 8.311 -0.191 25456 290 1 13 . 1 1 15 15 THR HA H 15 4.210 4.210 4.099 0.111 25456 291 1 13 . 1 1 15 15 THR H H 15 7.820 7.820 7.979 -0.159 25456 292 1 13 . 1 1 16 16 MET HA H 16 3.860 3.860 4.396 -0.536 25456 293 1 13 . 1 1 16 16 MET H H 16 7.980 7.980 7.913 0.067 25456 294 1 13 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.673 0.187 25456 295 1 13 . 1 1 17 17 VAL H H 17 7.750 7.750 7.778 -0.028 25456 296 1 13 . 1 1 18 18 LEU HA H 18 4.020 4.020 3.935 0.085 25456 297 1 13 . 1 1 18 18 LEU H H 18 7.740 7.740 7.632 0.108 25456 298 1 13 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.541 -0.021 25456 299 1 13 . 1 1 19 19 HIS H H 19 8.110 8.110 7.707 0.403 25456 300 1 14 . 1 1 2 2 SER HA H 2 4.190 4.190 4.609 -0.419 25456 301 1 14 . 1 1 2 2 SER H H 2 7.920 7.920 8.675 -0.755 25456 302 1 14 . 1 1 3 3 GLY H H 3 8.190 8.190 7.926 0.264 25456 303 1 14 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.553 -0.343 25456 304 1 14 . 1 1 4 4 LEU H H 4 7.880 7.880 8.159 -0.279 25456 305 1 14 . 1 1 5 5 SER HA H 5 4.350 4.350 4.608 -0.258 25456 306 1 14 . 1 1 5 5 SER H H 5 8.300 8.300 7.995 0.305 25456 307 1 14 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.787 -0.937 25456 308 1 14 . 1 1 6 6 PHE H H 6 8.360 8.360 7.945 0.415 25456 309 1 14 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.570 -0.490 25456 310 1 14 . 1 1 10 10 TYR H H 10 7.090 7.090 7.596 -0.506 25456 311 1 14 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.156 0.114 25456 312 1 14 . 1 1 14 14 TYR H H 14 8.120 8.120 8.271 -0.151 25456 313 1 14 . 1 1 15 15 THR HA H 15 4.210 4.210 4.195 0.015 25456 314 1 14 . 1 1 15 15 THR H H 15 7.820 7.820 7.705 0.115 25456 315 1 14 . 1 1 16 16 MET HA H 16 3.860 3.860 4.347 -0.487 25456 316 1 14 . 1 1 16 16 MET H H 16 7.980 7.980 7.945 0.035 25456 317 1 14 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.727 0.133 25456 318 1 14 . 1 1 17 17 VAL H H 17 7.750 7.750 7.722 0.028 25456 319 1 14 . 1 1 18 18 LEU HA H 18 4.020 4.020 4.058 -0.038 25456 320 1 14 . 1 1 18 18 LEU H H 18 7.740 7.740 7.668 0.072 25456 321 1 14 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.560 -0.040 25456 322 1 14 . 1 1 19 19 HIS H H 19 8.110 8.110 7.787 0.323 25456 323 1 15 . 1 1 2 2 SER HA H 2 4.190 4.190 4.706 -0.516 25456 324 1 15 . 1 1 2 2 SER H H 2 7.920 7.920 9.190 -1.270 25456 325 1 15 . 1 1 3 3 GLY H H 3 8.190 8.190 8.194 -0.004 25456 326 1 15 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.656 -0.446 25456 327 1 15 . 1 1 4 4 LEU H H 4 7.880 7.880 7.983 -0.103 25456 328 1 15 . 1 1 5 5 SER HA H 5 4.350 4.350 4.329 0.021 25456 329 1 15 . 1 1 5 5 SER H H 5 8.300 8.300 8.134 0.166 25456 330 1 15 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.471 -0.621 25456 331 1 15 . 1 1 6 6 PHE H H 6 8.360 8.360 8.277 0.083 25456 332 1 15 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.725 -0.645 25456 333 1 15 . 1 1 10 10 TYR H H 10 7.090 7.090 7.716 -0.626 25456 334 1 15 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.100 0.170 25456 335 1 15 . 1 1 14 14 TYR H H 14 8.120 8.120 8.386 -0.266 25456 336 1 15 . 1 1 15 15 THR HA H 15 4.210 4.210 4.061 0.149 25456 337 1 15 . 1 1 15 15 THR H H 15 7.820 7.820 8.013 -0.193 25456 338 1 15 . 1 1 16 16 MET HA H 16 3.860 3.860 4.334 -0.474 25456 339 1 15 . 1 1 16 16 MET H H 16 7.980 7.980 7.905 0.075 25456 340 1 15 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.744 0.116 25456 341 1 15 . 1 1 17 17 VAL H H 17 7.750 7.750 7.810 -0.060 25456 342 1 15 . 1 1 18 18 LEU HA H 18 4.020 4.020 3.944 0.076 25456 343 1 15 . 1 1 18 18 LEU H H 18 7.740 7.740 7.633 0.107 25456 344 1 15 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.535 -0.015 25456 345 1 15 . 1 1 19 19 HIS H H 19 8.110 8.110 7.716 0.394 25456 346 1 16 . 1 1 2 2 SER HA H 2 4.190 4.190 4.527 -0.337 25456 347 1 16 . 1 1 2 2 SER H H 2 7.920 7.920 8.707 -0.787 25456 348 1 16 . 1 1 3 3 GLY H H 3 8.190 8.190 8.393 -0.203 25456 349 1 16 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.446 -0.236 25456 350 1 16 . 1 1 4 4 LEU H H 4 7.880 7.880 8.057 -0.177 25456 351 1 16 . 1 1 5 5 SER HA H 5 4.350 4.350 4.521 -0.171 25456 352 1 16 . 1 1 5 5 SER H H 5 8.300 8.300 8.269 0.031 25456 353 1 16 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.788 -0.938 25456 354 1 16 . 1 1 6 6 PHE H H 6 8.360 8.360 7.400 0.960 25456 355 1 16 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.654 -0.574 25456 356 1 16 . 1 1 10 10 TYR H H 10 7.090 7.090 7.613 -0.523 25456 357 1 16 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.064 0.206 25456 358 1 16 . 1 1 14 14 TYR H H 14 8.120 8.120 8.203 -0.083 25456 359 1 16 . 1 1 15 15 THR HA H 15 4.210 4.210 4.110 0.100 25456 360 1 16 . 1 1 15 15 THR H H 15 7.820 7.820 8.008 -0.189 25456 361 1 16 . 1 1 16 16 MET HA H 16 3.860 3.860 4.315 -0.455 25456 362 1 16 . 1 1 16 16 MET H H 16 7.980 7.980 7.954 0.026 25456 363 1 16 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.773 0.087 25456 364 1 16 . 1 1 17 17 VAL H H 17 7.750 7.750 7.737 0.013 25456 365 1 16 . 1 1 18 18 LEU HA H 18 4.020 4.020 3.916 0.104 25456 366 1 16 . 1 1 18 18 LEU H H 18 7.740 7.740 7.449 0.291 25456 367 1 16 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.525 -0.005 25456 368 1 16 . 1 1 19 19 HIS H H 19 8.110 8.110 7.719 0.391 25456 369 1 17 . 1 1 2 2 SER HA H 2 4.190 4.190 4.651 -0.461 25456 370 1 17 . 1 1 2 2 SER H H 2 7.920 7.920 8.919 -0.999 25456 371 1 17 . 1 1 3 3 GLY H H 3 8.190 8.190 8.306 -0.116 25456 372 1 17 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.524 -0.314 25456 373 1 17 . 1 1 4 4 LEU H H 4 7.880 7.880 8.228 -0.348 25456 374 1 17 . 1 1 5 5 SER HA H 5 4.350 4.350 4.545 -0.195 25456 375 1 17 . 1 1 5 5 SER H H 5 8.300 8.300 8.110 0.190 25456 376 1 17 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.773 -0.923 25456 377 1 17 . 1 1 6 6 PHE H H 6 8.360 8.360 8.304 0.056 25456 378 1 17 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.761 -0.681 25456 379 1 17 . 1 1 10 10 TYR H H 10 7.090 7.090 7.626 -0.536 25456 380 1 17 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.043 0.227 25456 381 1 17 . 1 1 14 14 TYR H H 14 8.120 8.120 8.330 -0.210 25456 382 1 17 . 1 1 15 15 THR HA H 15 4.210 4.210 4.108 0.102 25456 383 1 17 . 1 1 15 15 THR H H 15 7.820 7.820 7.887 -0.067 25456 384 1 17 . 1 1 16 16 MET HA H 16 3.860 3.860 4.340 -0.480 25456 385 1 17 . 1 1 16 16 MET H H 16 7.980 7.980 7.855 0.125 25456 386 1 17 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.669 0.191 25456 387 1 17 . 1 1 17 17 VAL H H 17 7.750 7.750 7.805 -0.055 25456 388 1 17 . 1 1 18 18 LEU HA H 18 4.020 4.020 4.033 -0.013 25456 389 1 17 . 1 1 18 18 LEU H H 18 7.740 7.740 7.743 -0.003 25456 390 1 17 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.553 -0.033 25456 391 1 17 . 1 1 19 19 HIS H H 19 8.110 8.110 7.763 0.347 25456 392 1 18 . 1 1 2 2 SER HA H 2 4.190 4.190 4.565 -0.375 25456 393 1 18 . 1 1 2 2 SER H H 2 7.920 7.920 8.619 -0.699 25456 394 1 18 . 1 1 3 3 GLY H H 3 8.190 8.190 7.998 0.192 25456 395 1 18 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.220 -0.010 25456 396 1 18 . 1 1 4 4 LEU H H 4 7.880 7.880 8.082 -0.202 25456 397 1 18 . 1 1 5 5 SER HA H 5 4.350 4.350 4.529 -0.179 25456 398 1 18 . 1 1 5 5 SER H H 5 8.300 8.300 8.366 -0.066 25456 399 1 18 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.708 -0.858 25456 400 1 18 . 1 1 6 6 PHE H H 6 8.360 8.360 7.453 0.907 25456 401 1 18 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.775 -0.695 25456 402 1 18 . 1 1 10 10 TYR H H 10 7.090 7.090 7.638 -0.548 25456 403 1 18 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.099 0.171 25456 404 1 18 . 1 1 14 14 TYR H H 14 8.120 8.120 8.309 -0.189 25456 405 1 18 . 1 1 15 15 THR HA H 15 4.210 4.210 4.106 0.104 25456 406 1 18 . 1 1 15 15 THR H H 15 7.820 7.820 7.678 0.142 25456 407 1 18 . 1 1 16 16 MET HA H 16 3.860 3.860 4.354 -0.494 25456 408 1 18 . 1 1 16 16 MET H H 16 7.980 7.980 7.901 0.079 25456 409 1 18 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.691 0.169 25456 410 1 18 . 1 1 17 17 VAL H H 17 7.750 7.750 7.628 0.122 25456 411 1 18 . 1 1 18 18 LEU HA H 18 4.020 4.020 3.909 0.111 25456 412 1 18 . 1 1 18 18 LEU H H 18 7.740 7.740 7.439 0.301 25456 413 1 18 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.522 -0.002 25456 414 1 18 . 1 1 19 19 HIS H H 19 8.110 8.110 7.725 0.385 25456 415 1 19 . 1 1 2 2 SER HA H 2 4.190 4.190 4.494 -0.304 25456 416 1 19 . 1 1 2 2 SER H H 2 7.920 7.920 8.495 -0.575 25456 417 1 19 . 1 1 3 3 GLY H H 3 8.190 8.190 7.908 0.282 25456 418 1 19 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.516 -0.306 25456 419 1 19 . 1 1 4 4 LEU H H 4 7.880 7.880 8.050 -0.170 25456 420 1 19 . 1 1 5 5 SER HA H 5 4.350 4.350 4.352 -0.002 25456 421 1 19 . 1 1 5 5 SER H H 5 8.300 8.300 7.991 0.309 25456 422 1 19 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.563 -0.713 25456 423 1 19 . 1 1 6 6 PHE H H 6 8.360 8.360 8.094 0.266 25456 424 1 19 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.751 -0.671 25456 425 1 19 . 1 1 10 10 TYR H H 10 7.090 7.090 7.852 -0.762 25456 426 1 19 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.099 0.171 25456 427 1 19 . 1 1 14 14 TYR H H 14 8.120 8.120 8.267 -0.147 25456 428 1 19 . 1 1 15 15 THR HA H 15 4.210 4.210 4.229 -0.019 25456 429 1 19 . 1 1 15 15 THR H H 15 7.820 7.820 7.863 -0.043 25456 430 1 19 . 1 1 16 16 MET HA H 16 3.860 3.860 4.532 -0.672 25456 431 1 19 . 1 1 16 16 MET H H 16 7.980 7.980 7.813 0.167 25456 432 1 19 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.721 0.139 25456 433 1 19 . 1 1 17 17 VAL H H 17 7.750 7.750 7.824 -0.074 25456 434 1 19 . 1 1 18 18 LEU HA H 18 4.020 4.020 4.045 -0.025 25456 435 1 19 . 1 1 18 18 LEU H H 18 7.740 7.740 7.786 -0.046 25456 436 1 19 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.446 0.074 25456 437 1 19 . 1 1 19 19 HIS H H 19 8.110 8.110 7.808 0.302 25456 438 1 20 . 1 1 2 2 SER HA H 2 4.190 4.190 4.424 -0.234 25456 439 1 20 . 1 1 2 2 SER H H 2 7.920 7.920 8.341 -0.421 25456 440 1 20 . 1 1 3 3 GLY H H 3 8.190 8.190 8.384 -0.194 25456 441 1 20 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.613 -0.403 25456 442 1 20 . 1 1 4 4 LEU H H 4 7.880 7.880 7.896 -0.016 25456 443 1 20 . 1 1 5 5 SER HA H 5 4.350 4.350 4.222 0.128 25456 444 1 20 . 1 1 5 5 SER H H 5 8.300 8.300 8.045 0.255 25456 445 1 20 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.472 -0.622 25456 446 1 20 . 1 1 6 6 PHE H H 6 8.360 8.360 8.173 0.187 25456 447 1 20 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.822 -0.742 25456 448 1 20 . 1 1 10 10 TYR H H 10 7.090 7.090 7.689 -0.599 25456 449 1 20 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.056 0.214 25456 450 1 20 . 1 1 14 14 TYR H H 14 8.120 8.120 8.371 -0.251 25456 451 1 20 . 1 1 15 15 THR HA H 15 4.210 4.210 4.147 0.063 25456 452 1 20 . 1 1 15 15 THR H H 15 7.820 7.820 7.947 -0.127 25456 453 1 20 . 1 1 16 16 MET HA H 16 3.860 3.860 4.379 -0.519 25456 454 1 20 . 1 1 16 16 MET H H 16 7.980 7.980 7.910 0.070 25456 455 1 20 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.626 0.234 25456 456 1 20 . 1 1 17 17 VAL H H 17 7.750 7.750 7.871 -0.121 25456 457 1 20 . 1 1 18 18 LEU HA H 18 4.020 4.020 3.952 0.068 25456 458 1 20 . 1 1 18 18 LEU H H 18 7.740 7.740 7.604 0.136 25456 459 1 20 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.435 0.085 25456 460 1 20 . 1 1 19 19 HIS H H 19 8.110 8.110 7.781 0.329 25456 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 25456 2 1 1 "Average Difference" HA 13 0.365 0.158 0.343 25456 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25456 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25456 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25456 6 1 1 "Average Difference" HN 12 0.413 0.061 0.427 25456 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25456 8 1 2 "Average Difference" HA 13 0.385 0.208 0.338 25456 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25456 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25456 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25456 12 1 2 "Average Difference" HN 12 0.364 0.010 0.380 25456 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25456 14 1 3 "Average Difference" HA 13 0.385 0.210 0.336 25456 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25456 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25456 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25456 18 1 3 "Average Difference" HN 12 0.430 0.085 0.440 25456 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25456 20 1 4 "Average Difference" HA 13 0.401 0.212 0.354 25456 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25456 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25456 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25456 24 1 4 "Average Difference" HN 12 0.363 0.064 0.373 25456 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25456 26 1 5 "Average Difference" HA 13 0.366 0.211 0.312 25456 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25456 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25456 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25456 30 1 5 "Average Difference" HN 12 0.433 0.122 0.434 25456 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25456 32 1 6 "Average Difference" HA 13 0.390 0.227 0.330 25456 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25456 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25456 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25456 36 1 6 "Average Difference" HN 12 0.298 0.056 0.306 25456 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25456 38 1 7 "Average Difference" HA 13 0.393 0.225 0.336 25456 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25456 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25456 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25456 42 1 7 "Average Difference" HN 12 0.454 0.014 0.474 25456 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25456 44 1 8 "Average Difference" HA 13 0.396 0.191 0.361 25456 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25456 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25456 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25456 48 1 8 "Average Difference" HN 12 0.435 0.047 0.452 25456 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25456 50 1 9 "Average Difference" HA 13 0.407 0.239 0.343 25456 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25456 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25456 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25456 54 1 9 "Average Difference" HN 12 0.372 0.107 0.372 25456 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25456 56 1 10 "Average Difference" HA 13 0.393 0.213 0.344 25456 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25456 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25456 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25456 60 1 10 "Average Difference" HN 12 0.407 0.111 0.409 25456 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25456 62 1 11 "Average Difference" HA 13 0.401 0.222 0.347 25456 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25456 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25456 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25456 66 1 11 "Average Difference" HN 12 0.505 0.116 0.514 25456 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25456 68 1 12 "Average Difference" HA 13 0.390 0.204 0.346 25456 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25456 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 25456 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25456 72 1 12 "Average Difference" HN 12 0.371 0.062 0.382 25456 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25456 74 1 13 "Average Difference" HA 13 0.354 0.163 0.328 25456 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25456 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 25456 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25456 78 1 13 "Average Difference" HN 12 0.344 0.088 0.348 25456 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25456 80 1 14 "Average Difference" HA 13 0.369 0.223 0.306 25456 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25456 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 25456 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25456 84 1 14 "Average Difference" HN 12 0.340 0.011 0.355 25456 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25456 86 1 15 "Average Difference" HA 13 0.348 0.169 0.316 25456 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25456 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 25456 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25456 90 1 15 "Average Difference" HN 12 0.441 0.141 0.436 25456 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25456 92 1 16 "Average Difference" HA 13 0.361 0.163 0.336 25456 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25456 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 25456 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 25456 96 1 16 "Average Difference" HN 12 0.425 0.021 0.444 25456 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25456 98 1 17 "Average Difference" HA 13 0.393 0.211 0.345 25456 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25456 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 25456 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 25456 102 1 17 "Average Difference" HN 12 0.370 0.135 0.360 25456 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25456 104 1 18 "Average Difference" HA 13 0.377 0.197 0.335 25456 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25456 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 25456 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 25456 108 1 18 "Average Difference" HN 12 0.409 -0.035 0.426 25456 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25456 110 1 19 "Average Difference" HA 13 0.364 0.207 0.312 25456 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25456 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 25456 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 25456 114 1 19 "Average Difference" HN 12 0.334 0.041 0.346 25456 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25456 116 1 20 "Average Difference" HA 13 0.348 0.145 0.329 25456 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25456 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 25456 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 25456 120 1 20 "Average Difference" HN 12 0.274 0.063 0.278 25456 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 25456 _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 SER HA H 2 4.190 4.190 4.602 -0.412 25456 2 1 . 1 1 2 2 SER H H 2 7.920 7.920 8.764 -0.844 25456 3 1 . 1 1 3 3 GLY H H 3 8.190 8.190 8.192 -0.002 25456 4 1 . 1 1 4 4 LEU HA H 4 4.210 4.210 4.492 -0.282 25456 5 1 . 1 1 4 4 LEU H H 4 7.880 7.880 8.023 -0.143 25456 6 1 . 1 1 5 5 SER HA H 5 4.350 4.350 4.448 -0.098 25456 7 1 . 1 1 5 5 SER H H 5 8.300 8.300 8.244 0.056 25456 8 1 . 1 1 6 6 PHE HA H 6 3.850 3.850 4.710 -0.860 25456 9 1 . 1 1 6 6 PHE H H 6 8.360 8.360 7.833 0.527 25456 10 1 . 1 1 10 10 TYR HA H 10 4.080 4.080 4.734 -0.654 25456 11 1 . 1 1 10 10 TYR H H 10 7.090 7.090 7.670 -0.580 25456 12 1 . 1 1 14 14 TYR HA H 14 4.270 4.270 4.124 0.146 25456 13 1 . 1 1 14 14 TYR H H 14 8.120 8.120 8.362 -0.242 25456 14 1 . 1 1 15 15 THR HA H 15 4.210 4.210 4.151 0.060 25456 15 1 . 1 1 15 15 THR H H 15 7.820 7.820 7.904 -0.085 25456 16 1 . 1 1 16 16 MET HA H 16 3.860 3.860 4.380 -0.520 25456 17 1 . 1 1 16 16 MET H H 16 7.980 7.980 7.907 0.073 25456 18 1 . 1 1 17 17 VAL HA H 17 3.860 3.860 3.721 0.139 25456 19 1 . 1 1 17 17 VAL H H 17 7.750 7.750 7.788 -0.038 25456 20 1 . 1 1 18 18 LEU HA H 18 4.020 4.020 3.975 0.045 25456 21 1 . 1 1 18 18 LEU H H 18 7.740 7.740 7.615 0.125 25456 22 1 . 1 1 19 19 HIS HA H 19 4.520 4.520 4.527 -0.007 25456 23 1 . 1 1 19 19 HIS H H 19 8.110 8.110 7.748 0.362 25456 stop_ save_