data_11072_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 11072
_Entry.PDB_ID 2RQ2
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_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.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 8 . 1 1 1 A 2 2 ALA H H 2 8.530 8.517 0.013 1
1 9 . 1 1 1 A 2 2 ALA HA H 2 4.400 4.729 -0.329 1
1 13 . 1 1 1 A 3 3 ILE H H 3 7.660 7.776 -0.116 1
1 14 . 1 1 1 A 3 3 ILE HA H 3 4.160 4.187 -0.027 1
1 24 . 1 1 1 A 4 4 TYR H H 4 7.950 8.090 -0.140 1
1 25 . 1 1 1 A 4 4 TYR HA H 4 4.650 4.886 -0.236 1
1 32 . 1 1 1 A 5 5 ILE H H 5 7.860 7.650 0.210 1
1 33 . 1 1 1 A 5 5 ILE HA H 5 4.100 4.322 -0.222 1
1 43 . 1 1 1 A 6 6 GLY H H 6 7.940 7.504 0.436 1
1 44 . 1 1 1 A 6 6 GLY HA2 H 6 3.820 4.085 -0.265 1
1 45 . 1 1 1 A 6 6 GLY HA3 H 6 3.910 4.098 -0.188 1
1 46 . 1 1 1 A 7 7 ALA H H 7 7.810 7.859 -0.049 1
1 47 . 1 1 1 A 7 7 ALA HA H 7 4.350 4.194 0.156 1
1 51 . 1 1 1 A 8 8 THR H H 8 8.030 7.475 0.555 1
1 52 . 1 1 1 A 8 8 THR HA H 8 4.400 4.766 -0.366 1
1 57 . 1 1 1 A 9 9 VAL H H 9 7.990 8.636 -0.646 1
1 58 . 1 1 1 A 9 9 VAL HA H 9 4.140 4.311 -0.171 1
1 66 . 1 1 1 A 10 10 GLY H H 10 8.340 7.870 0.470 1
1 67 . 1 1 1 A 10 10 GLY HA2 H 10 3.900 4.085 -0.185 1
1 68 . 1 1 1 A 10 10 GLY HA3 H 10 4.150 4.107 0.043 1
1 69 . 1 1 1 A 11 11 PRO HA H 11 4.430 4.365 0.065 1
1 76 . 1 1 1 A 12 12 SER H H 12 7.930 8.330 -0.400 1
1 77 . 1 1 1 A 12 12 SER HA H 12 4.440 4.282 0.158 1
1 80 . 1 1 1 A 13 13 VAL H H 13 8.180 8.129 0.051 1
1 81 . 1 1 1 A 13 13 VAL HA H 13 3.770 3.755 0.015 1
1 89 . 1 1 1 A 14 14 TRP H H 14 8.370 8.266 0.104 1
1 90 . 1 1 1 A 14 14 TRP HA H 14 4.530 4.266 0.264 1
1 98 . 1 1 1 A 15 15 ALA H H 15 7.960 8.118 -0.158 1
1 99 . 1 1 1 A 15 15 ALA HA H 15 3.950 3.793 0.157 1
1 103 . 1 1 1 A 16 16 TYR H H 16 7.780 7.685 0.095 1
1 104 . 1 1 1 A 16 16 TYR HA H 16 4.180 4.277 -0.097 1
1 111 . 1 1 1 A 17 17 LEU H H 17 8.240 7.746 0.494 1
1 112 . 1 1 1 A 17 17 LEU HA H 17 3.960 3.839 0.121 1
1 116 . 1 1 1 A 18 18 VAL H H 18 8.370 7.286 1.084 1
1 117 . 1 1 1 A 18 18 VAL HA H 18 3.290 3.341 -0.051 1
1 125 . 1 1 1 A 19 19 ALA H H 19 7.480 7.967 -0.487 1
1 126 . 1 1 1 A 19 19 ALA HA H 19 4.090 3.866 0.224 1
1 130 . 1 1 1 A 20 20 LEU H H 20 7.970 7.718 0.252 1
1 131 . 1 1 1 A 20 20 LEU HA H 20 4.030 3.744 0.286 1
1 141 . 1 1 1 A 21 21 VAL H H 21 8.210 7.896 0.314 1
1 142 . 1 1 1 A 21 21 VAL HA H 21 3.680 3.620 0.060 1
1 150 . 1 1 1 A 22 22 GLY H H 22 8.110 8.111 -0.001 1
1 151 . 1 1 1 A 22 22 GLY HA2 H 22 3.870 3.673 0.197 1
1 152 . 1 1 1 A 22 22 GLY HA3 H 22 3.850 3.683 0.167 1
1 153 . 1 1 1 A 23 23 ALA H H 23 7.760 7.719 0.041 1
1 154 . 1 1 1 A 23 23 ALA HA H 23 4.260 3.980 0.280 1
1 158 . 1 1 1 A 24 24 ALA H H 24 7.960 7.712 0.248 1
1 159 . 1 1 1 A 24 24 ALA HA H 24 4.200 4.135 0.065 1
1 163 . 1 1 1 A 25 25 ALA H H 25 8.190 7.816 0.374 1
1 164 . 1 1 1 A 25 25 ALA HA H 25 4.200 4.064 0.136 1
1 168 . 1 1 1 A 26 26 VAL H H 26 7.700 7.231 0.469 1
1 169 . 1 1 1 A 26 26 VAL HA H 26 4.020 4.120 -0.100 1
1 177 . 1 1 1 A 27 27 THR H H 27 7.870 7.510 0.360 1
1 178 . 1 1 1 A 27 27 THR HA H 27 4.230 4.289 -0.059 1
1 183 . 1 1 1 A 28 28 ALA H H 28 8.060 7.216 0.844 1
1 184 . 1 1 1 A 28 28 ALA HA H 28 4.280 4.258 0.022 1
1 188 . 1 1 1 A 29 29 ALA H H 29 7.910 7.483 0.427 1
1 189 . 1 1 1 A 29 29 ALA HA H 29 4.310 4.264 0.046 1
1 8 . 2 1 1 A 2 2 ALA H H 2 8.530 8.718 -0.188 1
1 9 . 2 1 1 A 2 2 ALA HA H 2 4.400 4.418 -0.018 1
1 13 . 2 1 1 A 3 3 ILE H H 3 7.660 7.825 -0.165 1
1 14 . 2 1 1 A 3 3 ILE HA H 3 4.160 4.117 0.043 1
1 24 . 2 1 1 A 4 4 TYR H H 4 7.950 8.019 -0.069 1
1 25 . 2 1 1 A 4 4 TYR HA H 4 4.650 4.680 -0.030 1
1 32 . 2 1 1 A 5 5 ILE H H 5 7.860 7.673 0.187 1
1 33 . 2 1 1 A 5 5 ILE HA H 5 4.100 4.374 -0.274 1
1 43 . 2 1 1 A 6 6 GLY H H 6 7.940 7.414 0.526 1
1 44 . 2 1 1 A 6 6 GLY HA2 H 6 3.820 4.099 -0.279 1
1 45 . 2 1 1 A 6 6 GLY HA3 H 6 3.910 4.104 -0.194 1
1 46 . 2 1 1 A 7 7 ALA H H 7 7.810 8.003 -0.193 1
1 47 . 2 1 1 A 7 7 ALA HA H 7 4.350 4.533 -0.183 1
1 51 . 2 1 1 A 8 8 THR H H 8 8.030 7.507 0.523 1
1 52 . 2 1 1 A 8 8 THR HA H 8 4.400 4.335 0.065 1
1 57 . 2 1 1 A 9 9 VAL H H 9 7.990 9.018 -1.028 1
1 58 . 2 1 1 A 9 9 VAL HA H 9 4.140 3.992 0.148 1
1 66 . 2 1 1 A 10 10 GLY H H 10 8.340 7.709 0.631 1
1 67 . 2 1 1 A 10 10 GLY HA2 H 10 3.900 4.101 -0.201 1
1 68 . 2 1 1 A 10 10 GLY HA3 H 10 4.150 4.110 0.040 1
1 69 . 2 1 1 A 11 11 PRO HA H 11 4.430 4.402 0.028 1
1 76 . 2 1 1 A 12 12 SER H H 12 7.930 8.280 -0.350 1
1 77 . 2 1 1 A 12 12 SER HA H 12 4.440 4.249 0.191 1
1 80 . 2 1 1 A 13 13 VAL H H 13 8.180 8.031 0.149 1
1 81 . 2 1 1 A 13 13 VAL HA H 13 3.770 3.758 0.012 1
1 89 . 2 1 1 A 14 14 TRP H H 14 8.370 7.983 0.387 1
1 90 . 2 1 1 A 14 14 TRP HA H 14 4.530 4.263 0.267 1
1 98 . 2 1 1 A 15 15 ALA H H 15 7.960 8.057 -0.097 1
1 99 . 2 1 1 A 15 15 ALA HA H 15 3.950 3.872 0.078 1
1 103 . 2 1 1 A 16 16 TYR H H 16 7.780 7.755 0.025 1
1 104 . 2 1 1 A 16 16 TYR HA H 16 4.180 4.183 -0.003 1
1 111 . 2 1 1 A 17 17 LEU H H 17 8.240 7.853 0.387 1
1 112 . 2 1 1 A 17 17 LEU HA H 17 3.960 4.028 -0.068 1
1 116 . 2 1 1 A 18 18 VAL H H 18 8.370 7.460 0.910 1
1 117 . 2 1 1 A 18 18 VAL HA H 18 3.290 3.379 -0.089 1
1 125 . 2 1 1 A 19 19 ALA H H 19 7.480 7.899 -0.419 1
1 126 . 2 1 1 A 19 19 ALA HA H 19 4.090 3.989 0.101 1
1 130 . 2 1 1 A 20 20 LEU H H 20 7.970 7.804 0.166 1
1 131 . 2 1 1 A 20 20 LEU HA H 20 4.030 3.906 0.124 1
1 141 . 2 1 1 A 21 21 VAL H H 21 8.210 7.839 0.371 1
1 142 . 2 1 1 A 21 21 VAL HA H 21 3.680 3.837 -0.157 1
1 150 . 2 1 1 A 22 22 GLY H H 22 8.110 7.968 0.142 1
1 151 . 2 1 1 A 22 22 GLY HA2 H 22 3.870 3.807 0.063 1
1 152 . 2 1 1 A 22 22 GLY HA3 H 22 3.850 3.817 0.033 1
1 153 . 2 1 1 A 23 23 ALA H H 23 7.760 7.645 0.115 1
1 154 . 2 1 1 A 23 23 ALA HA H 23 4.260 4.038 0.222 1
1 158 . 2 1 1 A 24 24 ALA H H 24 7.960 7.458 0.502 1
1 159 . 2 1 1 A 24 24 ALA HA H 24 4.200 4.167 0.033 1
1 163 . 2 1 1 A 25 25 ALA H H 25 8.190 7.636 0.554 1
1 164 . 2 1 1 A 25 25 ALA HA H 25 4.200 4.201 -0.001 1
1 168 . 2 1 1 A 26 26 VAL H H 26 7.700 7.566 0.134 1
1 169 . 2 1 1 A 26 26 VAL HA H 26 4.020 4.155 -0.135 1
1 177 . 2 1 1 A 27 27 THR H H 27 7.870 7.884 -0.014 1
1 178 . 2 1 1 A 27 27 THR HA H 27 4.230 4.526 -0.296 1
1 183 . 2 1 1 A 28 28 ALA H H 28 8.060 7.093 0.967 1
1 184 . 2 1 1 A 28 28 ALA HA H 28 4.280 4.219 0.061 1
1 188 . 2 1 1 A 29 29 ALA H H 29 7.910 7.766 0.144 1
1 189 . 2 1 1 A 29 29 ALA HA H 29 4.310 4.444 -0.134 1
1 8 . 3 1 1 A 2 2 ALA H H 2 8.530 8.446 0.084 1
1 9 . 3 1 1 A 2 2 ALA HA H 2 4.400 4.666 -0.266 1
1 13 . 3 1 1 A 3 3 ILE H H 3 7.660 7.818 -0.158 1
1 14 . 3 1 1 A 3 3 ILE HA H 3 4.160 3.899 0.261 1
1 24 . 3 1 1 A 4 4 TYR H H 4 7.950 7.705 0.245 1
1 25 . 3 1 1 A 4 4 TYR HA H 4 4.650 4.396 0.254 1
1 32 . 3 1 1 A 5 5 ILE H H 5 7.860 7.453 0.407 1
1 33 . 3 1 1 A 5 5 ILE HA H 5 4.100 4.251 -0.151 1
1 43 . 3 1 1 A 6 6 GLY H H 6 7.940 7.512 0.428 1
1 44 . 3 1 1 A 6 6 GLY HA2 H 6 3.820 3.769 0.051 1
1 45 . 3 1 1 A 6 6 GLY HA3 H 6 3.910 3.997 -0.087 1
1 46 . 3 1 1 A 7 7 ALA H H 7 7.810 7.573 0.237 1
1 47 . 3 1 1 A 7 7 ALA HA H 7 4.350 4.378 -0.028 1
1 51 . 3 1 1 A 8 8 THR H H 8 8.030 7.113 0.917 1
1 52 . 3 1 1 A 8 8 THR HA H 8 4.400 4.236 0.164 1
1 57 . 3 1 1 A 9 9 VAL H H 9 7.990 8.658 -0.668 1
1 58 . 3 1 1 A 9 9 VAL HA H 9 4.140 3.656 0.484 1
1 66 . 3 1 1 A 10 10 GLY H H 10 8.340 8.368 -0.028 1
1 67 . 3 1 1 A 10 10 GLY HA2 H 10 3.900 3.954 -0.054 1
1 68 . 3 1 1 A 10 10 GLY HA3 H 10 4.150 3.975 0.175 1
1 69 . 3 1 1 A 11 11 PRO HA H 11 4.430 4.411 0.019 1
1 76 . 3 1 1 A 12 12 SER H H 12 7.930 8.256 -0.326 1
1 77 . 3 1 1 A 12 12 SER HA H 12 4.440 4.261 0.179 1
1 80 . 3 1 1 A 13 13 VAL H H 13 8.180 8.041 0.139 1
1 81 . 3 1 1 A 13 13 VAL HA H 13 3.770 3.765 0.005 1
1 89 . 3 1 1 A 14 14 TRP H H 14 8.370 8.242 0.128 1
1 90 . 3 1 1 A 14 14 TRP HA H 14 4.530 4.344 0.186 1
1 98 . 3 1 1 A 15 15 ALA H H 15 7.960 8.170 -0.210 1
1 99 . 3 1 1 A 15 15 ALA HA H 15 3.950 3.686 0.264 1
1 103 . 3 1 1 A 16 16 TYR H H 16 7.780 7.840 -0.060 1
1 104 . 3 1 1 A 16 16 TYR HA H 16 4.180 4.176 0.004 1
1 111 . 3 1 1 A 17 17 LEU H H 17 8.240 7.897 0.343 1
1 112 . 3 1 1 A 17 17 LEU HA H 17 3.960 4.001 -0.041 1
1 116 . 3 1 1 A 18 18 VAL H H 18 8.370 7.383 0.987 1
1 117 . 3 1 1 A 18 18 VAL HA H 18 3.290 3.527 -0.237 1
1 125 . 3 1 1 A 19 19 ALA H H 19 7.480 7.691 -0.211 1
1 126 . 3 1 1 A 19 19 ALA HA H 19 4.090 4.032 0.058 1
1 130 . 3 1 1 A 20 20 LEU H H 20 7.970 7.353 0.617 1
1 131 . 3 1 1 A 20 20 LEU HA H 20 4.030 4.075 -0.045 1
1 141 . 3 1 1 A 21 21 VAL H H 21 8.210 7.903 0.307 1
1 142 . 3 1 1 A 21 21 VAL HA H 21 3.680 3.678 0.002 1
1 150 . 3 1 1 A 22 22 GLY H H 22 8.110 7.913 0.197 1
1 151 . 3 1 1 A 22 22 GLY HA2 H 22 3.870 3.748 0.122 1
1 152 . 3 1 1 A 22 22 GLY HA3 H 22 3.850 3.763 0.087 1
1 153 . 3 1 1 A 23 23 ALA H H 23 7.760 7.818 -0.058 1
1 154 . 3 1 1 A 23 23 ALA HA H 23 4.260 4.029 0.231 1
1 158 . 3 1 1 A 24 24 ALA H H 24 7.960 7.641 0.319 1
1 159 . 3 1 1 A 24 24 ALA HA H 24 4.200 4.178 0.022 1
1 163 . 3 1 1 A 25 25 ALA H H 25 8.190 7.456 0.734 1
1 164 . 3 1 1 A 25 25 ALA HA H 25 4.200 4.168 0.032 1
1 168 . 3 1 1 A 26 26 VAL H H 26 7.700 7.545 0.155 1
1 169 . 3 1 1 A 26 26 VAL HA H 26 4.020 4.215 -0.195 1
1 177 . 3 1 1 A 27 27 THR H H 27 7.870 7.617 0.253 1
1 178 . 3 1 1 A 27 27 THR HA H 27 4.230 4.375 -0.145 1
1 183 . 3 1 1 A 28 28 ALA H H 28 8.060 7.114 0.946 1
1 184 . 3 1 1 A 28 28 ALA HA H 28 4.280 4.400 -0.120 1
1 188 . 3 1 1 A 29 29 ALA H H 29 7.910 7.405 0.505 1
1 189 . 3 1 1 A 29 29 ALA HA H 29 4.310 4.662 -0.352 1
1 8 . 4 1 1 A 2 2 ALA H H 2 8.530 8.280 0.250 1
1 9 . 4 1 1 A 2 2 ALA HA H 2 4.400 4.684 -0.284 1
1 13 . 4 1 1 A 3 3 ILE H H 3 7.660 8.423 -0.763 1
1 14 . 4 1 1 A 3 3 ILE HA H 3 4.160 3.622 0.538 1
1 24 . 4 1 1 A 4 4 TYR H H 4 7.950 8.011 -0.061 1
1 25 . 4 1 1 A 4 4 TYR HA H 4 4.650 4.712 -0.062 1
1 32 . 4 1 1 A 5 5 ILE H H 5 7.860 7.763 0.097 1
1 33 . 4 1 1 A 5 5 ILE HA H 5 4.100 4.424 -0.324 1
1 43 . 4 1 1 A 6 6 GLY H H 6 7.940 7.752 0.188 1
1 44 . 4 1 1 A 6 6 GLY HA2 H 6 3.820 4.143 -0.323 1
1 45 . 4 1 1 A 6 6 GLY HA3 H 6 3.910 4.150 -0.240 1
1 46 . 4 1 1 A 7 7 ALA H H 7 7.810 7.955 -0.145 1
1 47 . 4 1 1 A 7 7 ALA HA H 7 4.350 4.648 -0.298 1
1 51 . 4 1 1 A 8 8 THR H H 8 8.030 8.706 -0.676 1
1 52 . 4 1 1 A 8 8 THR HA H 8 4.400 4.578 -0.178 1
1 57 . 4 1 1 A 9 9 VAL H H 9 7.990 8.559 -0.569 1
1 58 . 4 1 1 A 9 9 VAL HA H 9 4.140 4.200 -0.060 1
1 66 . 4 1 1 A 10 10 GLY H H 10 8.340 7.324 1.016 1
1 67 . 4 1 1 A 10 10 GLY HA2 H 10 3.900 4.179 -0.279 1
1 68 . 4 1 1 A 10 10 GLY HA3 H 10 4.150 4.197 -0.047 1
1 69 . 4 1 1 A 11 11 PRO HA H 11 4.430 4.431 -0.001 1
1 76 . 4 1 1 A 12 12 SER H H 12 7.930 8.167 -0.237 1
1 77 . 4 1 1 A 12 12 SER HA H 12 4.440 4.270 0.170 1
1 80 . 4 1 1 A 13 13 VAL H H 13 8.180 8.310 -0.130 1
1 81 . 4 1 1 A 13 13 VAL HA H 13 3.770 3.884 -0.114 1
1 89 . 4 1 1 A 14 14 TRP H H 14 8.370 8.175 0.195 1
1 90 . 4 1 1 A 14 14 TRP HA H 14 4.530 4.289 0.241 1
1 98 . 4 1 1 A 15 15 ALA H H 15 7.960 8.027 -0.067 1
1 99 . 4 1 1 A 15 15 ALA HA H 15 3.950 3.949 0.001 1
1 103 . 4 1 1 A 16 16 TYR H H 16 7.780 7.600 0.180 1
1 104 . 4 1 1 A 16 16 TYR HA H 16 4.180 4.173 0.007 1
1 111 . 4 1 1 A 17 17 LEU H H 17 8.240 7.864 0.376 1
1 112 . 4 1 1 A 17 17 LEU HA H 17 3.960 4.050 -0.090 1
1 116 . 4 1 1 A 18 18 VAL H H 18 8.370 7.382 0.988 1
1 117 . 4 1 1 A 18 18 VAL HA H 18 3.290 3.448 -0.158 1
1 125 . 4 1 1 A 19 19 ALA H H 19 7.480 7.643 -0.163 1
1 126 . 4 1 1 A 19 19 ALA HA H 19 4.090 3.971 0.119 1
1 130 . 4 1 1 A 20 20 LEU H H 20 7.970 7.963 0.007 1
1 131 . 4 1 1 A 20 20 LEU HA H 20 4.030 4.073 -0.043 1
1 141 . 4 1 1 A 21 21 VAL H H 21 8.210 7.371 0.839 1
1 142 . 4 1 1 A 21 21 VAL HA H 21 3.680 4.075 -0.395 1
1 150 . 4 1 1 A 22 22 GLY H H 22 8.110 7.806 0.304 1
1 151 . 4 1 1 A 22 22 GLY HA2 H 22 3.870 3.883 -0.013 1
1 152 . 4 1 1 A 22 22 GLY HA3 H 22 3.850 3.897 -0.047 1
1 153 . 4 1 1 A 23 23 ALA H H 23 7.760 7.493 0.267 1
1 154 . 4 1 1 A 23 23 ALA HA H 23 4.260 4.045 0.215 1
1 158 . 4 1 1 A 24 24 ALA H H 24 7.960 7.878 0.082 1
1 159 . 4 1 1 A 24 24 ALA HA H 24 4.200 4.171 0.029 1
1 163 . 4 1 1 A 25 25 ALA H H 25 8.190 7.772 0.418 1
1 164 . 4 1 1 A 25 25 ALA HA H 25 4.200 4.096 0.104 1
1 168 . 4 1 1 A 26 26 VAL H H 26 7.700 7.719 -0.019 1
1 169 . 4 1 1 A 26 26 VAL HA H 26 4.020 3.916 0.104 1
1 177 . 4 1 1 A 27 27 THR H H 27 7.870 7.589 0.281 1
1 178 . 4 1 1 A 27 27 THR HA H 27 4.230 4.572 -0.342 1
1 183 . 4 1 1 A 28 28 ALA H H 28 8.060 7.596 0.464 1
1 184 . 4 1 1 A 28 28 ALA HA H 28 4.280 4.185 0.095 1
1 188 . 4 1 1 A 29 29 ALA H H 29 7.910 7.710 0.200 1
1 189 . 4 1 1 A 29 29 ALA HA H 29 4.310 4.401 -0.091 1
1 8 . 5 1 1 A 2 2 ALA H H 2 8.530 8.506 0.024 1
1 9 . 5 1 1 A 2 2 ALA HA H 2 4.400 4.713 -0.313 1
1 13 . 5 1 1 A 3 3 ILE H H 3 7.660 7.912 -0.252 1
1 14 . 5 1 1 A 3 3 ILE HA H 3 4.160 3.894 0.266 1
1 24 . 5 1 1 A 4 4 TYR H H 4 7.950 8.031 -0.081 1
1 25 . 5 1 1 A 4 4 TYR HA H 4 4.650 4.853 -0.203 1
1 32 . 5 1 1 A 5 5 ILE H H 5 7.860 7.746 0.114 1
1 33 . 5 1 1 A 5 5 ILE HA H 5 4.100 4.549 -0.449 1
1 43 . 5 1 1 A 6 6 GLY H H 6 7.940 7.827 0.113 1
1 44 . 5 1 1 A 6 6 GLY HA2 H 6 3.820 4.042 -0.222 1
1 45 . 5 1 1 A 6 6 GLY HA3 H 6 3.910 4.053 -0.143 1
1 46 . 5 1 1 A 7 7 ALA H H 7 7.810 7.802 0.008 1
1 47 . 5 1 1 A 7 7 ALA HA H 7 4.350 4.505 -0.155 1
1 51 . 5 1 1 A 8 8 THR H H 8 8.030 7.509 0.521 1
1 52 . 5 1 1 A 8 8 THR HA H 8 4.400 4.396 0.004 1
1 57 . 5 1 1 A 9 9 VAL H H 9 7.990 8.548 -0.558 1
1 58 . 5 1 1 A 9 9 VAL HA H 9 4.140 3.560 0.580 1
1 66 . 5 1 1 A 10 10 GLY H H 10 8.340 7.833 0.507 1
1 67 . 5 1 1 A 10 10 GLY HA2 H 10 3.900 3.899 0.001 1
1 68 . 5 1 1 A 10 10 GLY HA3 H 10 4.150 3.922 0.228 1
1 69 . 5 1 1 A 11 11 PRO HA H 11 4.430 4.376 0.054 1
1 76 . 5 1 1 A 12 12 SER H H 12 7.930 8.249 -0.319 1
1 77 . 5 1 1 A 12 12 SER HA H 12 4.440 4.275 0.165 1
1 80 . 5 1 1 A 13 13 VAL H H 13 8.180 8.214 -0.034 1
1 81 . 5 1 1 A 13 13 VAL HA H 13 3.770 3.661 0.109 1
1 89 . 5 1 1 A 14 14 TRP H H 14 8.370 7.944 0.426 1
1 90 . 5 1 1 A 14 14 TRP HA H 14 4.530 4.275 0.255 1
1 98 . 5 1 1 A 15 15 ALA H H 15 7.960 8.003 -0.043 1
1 99 . 5 1 1 A 15 15 ALA HA H 15 3.950 3.946 0.004 1
1 103 . 5 1 1 A 16 16 TYR H H 16 7.780 7.509 0.271 1
1 104 . 5 1 1 A 16 16 TYR HA H 16 4.180 4.220 -0.040 1
1 111 . 5 1 1 A 17 17 LEU H H 17 8.240 7.807 0.433 1
1 112 . 5 1 1 A 17 17 LEU HA H 17 3.960 4.009 -0.049 1
1 116 . 5 1 1 A 18 18 VAL H H 18 8.370 7.676 0.694 1
1 117 . 5 1 1 A 18 18 VAL HA H 18 3.290 3.284 0.006 1
1 125 . 5 1 1 A 19 19 ALA H H 19 7.480 7.660 -0.180 1
1 126 . 5 1 1 A 19 19 ALA HA H 19 4.090 3.955 0.135 1
1 130 . 5 1 1 A 20 20 LEU H H 20 7.970 7.674 0.296 1
1 131 . 5 1 1 A 20 20 LEU HA H 20 4.030 3.841 0.189 1
1 141 . 5 1 1 A 21 21 VAL H H 21 8.210 7.925 0.285 1
1 142 . 5 1 1 A 21 21 VAL HA H 21 3.680 3.605 0.075 1
1 150 . 5 1 1 A 22 22 GLY H H 22 8.110 8.144 -0.034 1
1 151 . 5 1 1 A 22 22 GLY HA2 H 22 3.870 3.744 0.126 1
1 152 . 5 1 1 A 22 22 GLY HA3 H 22 3.850 3.761 0.089 1
1 153 . 5 1 1 A 23 23 ALA H H 23 7.760 7.678 0.082 1
1 154 . 5 1 1 A 23 23 ALA HA H 23 4.260 4.019 0.241 1
1 158 . 5 1 1 A 24 24 ALA H H 24 7.960 7.548 0.412 1
1 159 . 5 1 1 A 24 24 ALA HA H 24 4.200 4.148 0.052 1
1 163 . 5 1 1 A 25 25 ALA H H 25 8.190 7.428 0.762 1
1 164 . 5 1 1 A 25 25 ALA HA H 25 4.200 4.126 0.074 1
1 168 . 5 1 1 A 26 26 VAL H H 26 7.700 7.670 0.030 1
1 169 . 5 1 1 A 26 26 VAL HA H 26 4.020 3.991 0.029 1
1 177 . 5 1 1 A 27 27 THR H H 27 7.870 8.070 -0.200 1
1 178 . 5 1 1 A 27 27 THR HA H 27 4.230 4.159 0.071 1
1 183 . 5 1 1 A 28 28 ALA H H 28 8.060 7.445 0.615 1
1 184 . 5 1 1 A 28 28 ALA HA H 28 4.280 4.293 -0.013 1
1 188 . 5 1 1 A 29 29 ALA H H 29 7.910 7.406 0.504 1
1 189 . 5 1 1 A 29 29 ALA HA H 29 4.310 4.273 0.037 1
1 8 . 6 1 1 A 2 2 ALA H H 2 8.530 8.341 0.189 1
1 9 . 6 1 1 A 2 2 ALA HA H 2 4.400 4.716 -0.316 1
1 13 . 6 1 1 A 3 3 ILE H H 3 7.660 8.112 -0.452 1
1 14 . 6 1 1 A 3 3 ILE HA H 3 4.160 3.636 0.524 1
1 24 . 6 1 1 A 4 4 TYR H H 4 7.950 7.875 0.075 1
1 25 . 6 1 1 A 4 4 TYR HA H 4 4.650 4.794 -0.144 1
1 32 . 6 1 1 A 5 5 ILE H H 5 7.860 7.618 0.242 1
1 33 . 6 1 1 A 5 5 ILE HA H 5 4.100 4.329 -0.229 1
1 43 . 6 1 1 A 6 6 GLY H H 6 7.940 7.493 0.447 1
1 44 . 6 1 1 A 6 6 GLY HA2 H 6 3.820 4.151 -0.331 1
1 45 . 6 1 1 A 6 6 GLY HA3 H 6 3.910 4.166 -0.256 1
1 46 . 6 1 1 A 7 7 ALA H H 7 7.810 8.064 -0.254 1
1 47 . 6 1 1 A 7 7 ALA HA H 7 4.350 4.616 -0.266 1
1 51 . 6 1 1 A 8 8 THR H H 8 8.030 8.343 -0.313 1
1 52 . 6 1 1 A 8 8 THR HA H 8 4.400 4.155 0.245 1
1 57 . 6 1 1 A 9 9 VAL H H 9 7.990 8.681 -0.691 1
1 58 . 6 1 1 A 9 9 VAL HA H 9 4.140 3.742 0.398 1
1 66 . 6 1 1 A 10 10 GLY H H 10 8.340 8.222 0.118 1
1 67 . 6 1 1 A 10 10 GLY HA2 H 10 3.900 4.403 -0.503 1
1 68 . 6 1 1 A 10 10 GLY HA3 H 10 4.150 4.427 -0.277 1
1 69 . 6 1 1 A 11 11 PRO HA H 11 4.430 4.417 0.013 1
1 76 . 6 1 1 A 12 12 SER H H 12 7.930 8.223 -0.293 1
1 77 . 6 1 1 A 12 12 SER HA H 12 4.440 4.304 0.136 1
1 80 . 6 1 1 A 13 13 VAL H H 13 8.180 8.028 0.152 1
1 81 . 6 1 1 A 13 13 VAL HA H 13 3.770 3.632 0.138 1
1 89 . 6 1 1 A 14 14 TRP H H 14 8.370 8.061 0.309 1
1 90 . 6 1 1 A 14 14 TRP HA H 14 4.530 4.240 0.290 1
1 98 . 6 1 1 A 15 15 ALA H H 15 7.960 8.145 -0.185 1
1 99 . 6 1 1 A 15 15 ALA HA H 15 3.950 3.768 0.182 1
1 103 . 6 1 1 A 16 16 TYR H H 16 7.780 7.732 0.048 1
1 104 . 6 1 1 A 16 16 TYR HA H 16 4.180 4.179 0.001 1
1 111 . 6 1 1 A 17 17 LEU H H 17 8.240 7.872 0.368 1
1 112 . 6 1 1 A 17 17 LEU HA H 17 3.960 3.981 -0.021 1
1 116 . 6 1 1 A 18 18 VAL H H 18 8.370 7.168 1.202 1
1 117 . 6 1 1 A 18 18 VAL HA H 18 3.290 3.540 -0.250 1
1 125 . 6 1 1 A 19 19 ALA H H 19 7.480 7.665 -0.185 1
1 126 . 6 1 1 A 19 19 ALA HA H 19 4.090 3.986 0.104 1
1 130 . 6 1 1 A 20 20 LEU H H 20 7.970 7.773 0.197 1
1 131 . 6 1 1 A 20 20 LEU HA H 20 4.030 3.989 0.041 1
1 141 . 6 1 1 A 21 21 VAL H H 21 8.210 7.641 0.569 1
1 142 . 6 1 1 A 21 21 VAL HA H 21 3.680 3.684 -0.004 1
1 150 . 6 1 1 A 22 22 GLY H H 22 8.110 8.101 0.009 1
1 151 . 6 1 1 A 22 22 GLY HA2 H 22 3.870 3.734 0.136 1
1 152 . 6 1 1 A 22 22 GLY HA3 H 22 3.850 3.749 0.101 1
1 153 . 6 1 1 A 23 23 ALA H H 23 7.760 7.929 -0.169 1
1 154 . 6 1 1 A 23 23 ALA HA H 23 4.260 3.918 0.342 1
1 158 . 6 1 1 A 24 24 ALA H H 24 7.960 8.045 -0.085 1
1 159 . 6 1 1 A 24 24 ALA HA H 24 4.200 4.079 0.121 1
1 163 . 6 1 1 A 25 25 ALA H H 25 8.190 7.929 0.261 1
1 164 . 6 1 1 A 25 25 ALA HA H 25 4.200 4.133 0.067 1
1 168 . 6 1 1 A 26 26 VAL H H 26 7.700 7.394 0.306 1
1 169 . 6 1 1 A 26 26 VAL HA H 26 4.020 3.840 0.180 1
1 177 . 6 1 1 A 27 27 THR H H 27 7.870 7.477 0.393 1
1 178 . 6 1 1 A 27 27 THR HA H 27 4.230 4.313 -0.083 1
1 183 . 6 1 1 A 28 28 ALA H H 28 8.060 7.655 0.405 1
1 184 . 6 1 1 A 28 28 ALA HA H 28 4.280 4.289 -0.009 1
1 188 . 6 1 1 A 29 29 ALA H H 29 7.910 7.666 0.244 1
1 189 . 6 1 1 A 29 29 ALA HA H 29 4.310 4.397 -0.087 1
1 8 . 7 1 1 A 2 2 ALA H H 2 8.530 8.353 0.177 1
1 9 . 7 1 1 A 2 2 ALA HA H 2 4.400 4.749 -0.349 1
1 13 . 7 1 1 A 3 3 ILE H H 3 7.660 7.980 -0.320 1
1 14 . 7 1 1 A 3 3 ILE HA H 3 4.160 3.810 0.350 1
1 24 . 7 1 1 A 4 4 TYR H H 4 7.950 7.853 0.097 1
1 25 . 7 1 1 A 4 4 TYR HA H 4 4.650 4.799 -0.149 1
1 32 . 7 1 1 A 5 5 ILE H H 5 7.860 7.760 0.100 1
1 33 . 7 1 1 A 5 5 ILE HA H 5 4.100 4.276 -0.176 1
1 43 . 7 1 1 A 6 6 GLY H H 6 7.940 7.718 0.222 1
1 44 . 7 1 1 A 6 6 GLY HA2 H 6 3.820 4.035 -0.215 1
1 45 . 7 1 1 A 6 6 GLY HA3 H 6 3.910 4.048 -0.138 1
1 46 . 7 1 1 A 7 7 ALA H H 7 7.810 8.046 -0.236 1
1 47 . 7 1 1 A 7 7 ALA HA H 7 4.350 3.874 0.476 1
1 51 . 7 1 1 A 8 8 THR H H 8 8.030 8.347 -0.317 1
1 52 . 7 1 1 A 8 8 THR HA H 8 4.400 4.824 -0.424 1
1 57 . 7 1 1 A 9 9 VAL H H 9 7.990 8.825 -0.835 1
1 58 . 7 1 1 A 9 9 VAL HA H 9 4.140 3.777 0.363 1
1 66 . 7 1 1 A 10 10 GLY H H 10 8.340 8.003 0.337 1
1 67 . 7 1 1 A 10 10 GLY HA2 H 10 3.900 3.918 -0.018 1
1 68 . 7 1 1 A 10 10 GLY HA3 H 10 4.150 3.919 0.231 1
1 69 . 7 1 1 A 11 11 PRO HA H 11 4.430 4.371 0.059 1
1 76 . 7 1 1 A 12 12 SER H H 12 7.930 8.296 -0.366 1
1 77 . 7 1 1 A 12 12 SER HA H 12 4.440 4.294 0.146 1
1 80 . 7 1 1 A 13 13 VAL H H 13 8.180 8.147 0.033 1
1 81 . 7 1 1 A 13 13 VAL HA H 13 3.770 3.677 0.093 1
1 89 . 7 1 1 A 14 14 TRP H H 14 8.370 8.005 0.365 1
1 90 . 7 1 1 A 14 14 TRP HA H 14 4.530 4.269 0.261 1
1 98 . 7 1 1 A 15 15 ALA H H 15 7.960 8.294 -0.334 1
1 99 . 7 1 1 A 15 15 ALA HA H 15 3.950 3.921 0.029 1
1 103 . 7 1 1 A 16 16 TYR H H 16 7.780 7.707 0.073 1
1 104 . 7 1 1 A 16 16 TYR HA H 16 4.180 4.195 -0.015 1
1 111 . 7 1 1 A 17 17 LEU H H 17 8.240 8.001 0.239 1
1 112 . 7 1 1 A 17 17 LEU HA H 17 3.960 4.133 -0.173 1
1 116 . 7 1 1 A 18 18 VAL H H 18 8.370 7.820 0.550 1
1 117 . 7 1 1 A 18 18 VAL HA H 18 3.290 3.353 -0.063 1
1 125 . 7 1 1 A 19 19 ALA H H 19 7.480 7.510 -0.030 1
1 126 . 7 1 1 A 19 19 ALA HA H 19 4.090 3.994 0.096 1
1 130 . 7 1 1 A 20 20 LEU H H 20 7.970 7.719 0.251 1
1 131 . 7 1 1 A 20 20 LEU HA H 20 4.030 3.944 0.086 1
1 141 . 7 1 1 A 21 21 VAL H H 21 8.210 7.697 0.513 1
1 142 . 7 1 1 A 21 21 VAL HA H 21 3.680 3.698 -0.018 1
1 150 . 7 1 1 A 22 22 GLY H H 22 8.110 8.185 -0.075 1
1 151 . 7 1 1 A 22 22 GLY HA2 H 22 3.870 3.837 0.033 1
1 152 . 7 1 1 A 22 22 GLY HA3 H 22 3.850 3.852 -0.002 1
1 153 . 7 1 1 A 23 23 ALA H H 23 7.760 8.010 -0.250 1
1 154 . 7 1 1 A 23 23 ALA HA H 23 4.260 4.057 0.203 1
1 158 . 7 1 1 A 24 24 ALA H H 24 7.960 7.537 0.423 1
1 159 . 7 1 1 A 24 24 ALA HA H 24 4.200 4.190 0.010 1
1 163 . 7 1 1 A 25 25 ALA H H 25 8.190 7.431 0.759 1
1 164 . 7 1 1 A 25 25 ALA HA H 25 4.200 4.165 0.035 1
1 168 . 7 1 1 A 26 26 VAL H H 26 7.700 7.538 0.162 1
1 169 . 7 1 1 A 26 26 VAL HA H 26 4.020 4.242 -0.222 1
1 177 . 7 1 1 A 27 27 THR H H 27 7.870 7.468 0.402 1
1 178 . 7 1 1 A 27 27 THR HA H 27 4.230 4.442 -0.212 1
1 183 . 7 1 1 A 28 28 ALA H H 28 8.060 7.775 0.285 1
1 184 . 7 1 1 A 28 28 ALA HA H 28 4.280 4.157 0.123 1
1 188 . 7 1 1 A 29 29 ALA H H 29 7.910 7.681 0.229 1
1 189 . 7 1 1 A 29 29 ALA HA H 29 4.310 4.362 -0.052 1
1 8 . 8 1 1 A 2 2 ALA H H 2 8.530 8.508 0.022 1
1 9 . 8 1 1 A 2 2 ALA HA H 2 4.400 4.708 -0.308 1
1 13 . 8 1 1 A 3 3 ILE H H 3 7.660 8.052 -0.392 1
1 14 . 8 1 1 A 3 3 ILE HA H 3 4.160 3.931 0.229 1
1 24 . 8 1 1 A 4 4 TYR H H 4 7.950 8.139 -0.189 1
1 25 . 8 1 1 A 4 4 TYR HA H 4 4.650 4.886 -0.236 1
1 32 . 8 1 1 A 5 5 ILE H H 5 7.860 7.688 0.172 1
1 33 . 8 1 1 A 5 5 ILE HA H 5 4.100 4.363 -0.263 1
1 43 . 8 1 1 A 6 6 GLY H H 6 7.940 7.924 0.016 1
1 44 . 8 1 1 A 6 6 GLY HA2 H 6 3.820 4.147 -0.327 1
1 45 . 8 1 1 A 6 6 GLY HA3 H 6 3.910 4.158 -0.248 1
1 46 . 8 1 1 A 7 7 ALA H H 7 7.810 7.880 -0.070 1
1 47 . 8 1 1 A 7 7 ALA HA H 7 4.350 4.698 -0.348 1
1 51 . 8 1 1 A 8 8 THR H H 8 8.030 7.931 0.099 1
1 52 . 8 1 1 A 8 8 THR HA H 8 4.400 4.390 0.010 1
1 57 . 8 1 1 A 9 9 VAL H H 9 7.990 7.725 0.265 1
1 58 . 8 1 1 A 9 9 VAL HA H 9 4.140 4.170 -0.030 1
1 66 . 8 1 1 A 10 10 GLY H H 10 8.340 8.400 -0.060 1
1 67 . 8 1 1 A 10 10 GLY HA2 H 10 3.900 3.968 -0.068 1
1 68 . 8 1 1 A 10 10 GLY HA3 H 10 4.150 3.987 0.163 1
1 69 . 8 1 1 A 11 11 PRO HA H 11 4.430 4.400 0.030 1
1 76 . 8 1 1 A 12 12 SER H H 12 7.930 8.252 -0.322 1
1 77 . 8 1 1 A 12 12 SER HA H 12 4.440 4.255 0.185 1
1 80 . 8 1 1 A 13 13 VAL H H 13 8.180 8.199 -0.019 1
1 81 . 8 1 1 A 13 13 VAL HA H 13 3.770 3.805 -0.035 1
1 89 . 8 1 1 A 14 14 TRP H H 14 8.370 8.097 0.273 1
1 90 . 8 1 1 A 14 14 TRP HA H 14 4.530 4.351 0.179 1
1 98 . 8 1 1 A 15 15 ALA H H 15 7.960 8.266 -0.306 1
1 99 . 8 1 1 A 15 15 ALA HA H 15 3.950 3.927 0.023 1
1 103 . 8 1 1 A 16 16 TYR H H 16 7.780 7.889 -0.109 1
1 104 . 8 1 1 A 16 16 TYR HA H 16 4.180 4.210 -0.030 1
1 111 . 8 1 1 A 17 17 LEU H H 17 8.240 7.613 0.627 1
1 112 . 8 1 1 A 17 17 LEU HA H 17 3.960 3.924 0.036 1
1 116 . 8 1 1 A 18 18 VAL H H 18 8.370 7.043 1.327 1
1 117 . 8 1 1 A 18 18 VAL HA H 18 3.290 3.559 -0.269 1
1 125 . 8 1 1 A 19 19 ALA H H 19 7.480 8.103 -0.623 1
1 126 . 8 1 1 A 19 19 ALA HA H 19 4.090 4.112 -0.022 1
1 130 . 8 1 1 A 20 20 LEU H H 20 7.970 7.695 0.275 1
1 131 . 8 1 1 A 20 20 LEU HA H 20 4.030 4.205 -0.175 1
1 141 . 8 1 1 A 21 21 VAL H H 21 8.210 7.858 0.352 1
1 142 . 8 1 1 A 21 21 VAL HA H 21 3.680 3.668 0.012 1
1 150 . 8 1 1 A 22 22 GLY H H 22 8.110 8.057 0.053 1
1 151 . 8 1 1 A 22 22 GLY HA2 H 22 3.870 3.853 0.017 1
1 152 . 8 1 1 A 22 22 GLY HA3 H 22 3.850 3.855 -0.005 1
1 153 . 8 1 1 A 23 23 ALA H H 23 7.760 7.964 -0.204 1
1 154 . 8 1 1 A 23 23 ALA HA H 23 4.260 4.126 0.134 1
1 158 . 8 1 1 A 24 24 ALA H H 24 7.960 7.620 0.340 1
1 159 . 8 1 1 A 24 24 ALA HA H 24 4.200 4.239 -0.039 1
1 163 . 8 1 1 A 25 25 ALA H H 25 8.190 8.049 0.141 1
1 164 . 8 1 1 A 25 25 ALA HA H 25 4.200 4.168 0.032 1
1 168 . 8 1 1 A 26 26 VAL H H 26 7.700 7.670 0.030 1
1 169 . 8 1 1 A 26 26 VAL HA H 26 4.020 3.754 0.266 1
1 177 . 8 1 1 A 27 27 THR H H 27 7.870 7.848 0.022 1
1 178 . 8 1 1 A 27 27 THR HA H 27 4.230 3.956 0.274 1
1 183 . 8 1 1 A 28 28 ALA H H 28 8.060 7.454 0.606 1
1 184 . 8 1 1 A 28 28 ALA HA H 28 4.280 4.275 0.005 1
1 188 . 8 1 1 A 29 29 ALA H H 29 7.910 7.310 0.600 1
1 189 . 8 1 1 A 29 29 ALA HA H 29 4.310 4.755 -0.445 1
1 8 . 9 1 1 A 2 2 ALA H H 2 8.530 8.523 0.007 1
1 9 . 9 1 1 A 2 2 ALA HA H 2 4.400 4.762 -0.362 1
1 13 . 9 1 1 A 3 3 ILE H H 3 7.660 7.901 -0.241 1
1 14 . 9 1 1 A 3 3 ILE HA H 3 4.160 4.017 0.143 1
1 24 . 9 1 1 A 4 4 TYR H H 4 7.950 7.944 0.006 1
1 25 . 9 1 1 A 4 4 TYR HA H 4 4.650 4.601 0.049 1
1 32 . 9 1 1 A 5 5 ILE H H 5 7.860 7.704 0.156 1
1 33 . 9 1 1 A 5 5 ILE HA H 5 4.100 4.259 -0.159 1
1 43 . 9 1 1 A 6 6 GLY H H 6 7.940 7.954 -0.014 1
1 44 . 9 1 1 A 6 6 GLY HA2 H 6 3.820 3.961 -0.141 1
1 45 . 9 1 1 A 6 6 GLY HA3 H 6 3.910 3.989 -0.079 1
1 46 . 9 1 1 A 7 7 ALA H H 7 7.810 8.190 -0.380 1
1 47 . 9 1 1 A 7 7 ALA HA H 7 4.350 3.986 0.364 1
1 51 . 9 1 1 A 8 8 THR H H 8 8.030 7.935 0.095 1
1 52 . 9 1 1 A 8 8 THR HA H 8 4.400 4.281 0.119 1
1 57 . 9 1 1 A 9 9 VAL H H 9 7.990 8.723 -0.733 1
1 58 . 9 1 1 A 9 9 VAL HA H 9 4.140 4.343 -0.203 1
1 66 . 9 1 1 A 10 10 GLY H H 10 8.340 7.984 0.356 1
1 67 . 9 1 1 A 10 10 GLY HA2 H 10 3.900 3.919 -0.019 1
1 68 . 9 1 1 A 10 10 GLY HA3 H 10 4.150 3.923 0.227 1
1 69 . 9 1 1 A 11 11 PRO HA H 11 4.430 4.374 0.056 1
1 76 . 9 1 1 A 12 12 SER H H 12 7.930 8.203 -0.273 1
1 77 . 9 1 1 A 12 12 SER HA H 12 4.440 4.257 0.183 1
1 80 . 9 1 1 A 13 13 VAL H H 13 8.180 8.089 0.091 1
1 81 . 9 1 1 A 13 13 VAL HA H 13 3.770 3.697 0.073 1
1 89 . 9 1 1 A 14 14 TRP H H 14 8.370 8.172 0.198 1
1 90 . 9 1 1 A 14 14 TRP HA H 14 4.530 4.149 0.381 1
1 98 . 9 1 1 A 15 15 ALA H H 15 7.960 8.180 -0.220 1
1 99 . 9 1 1 A 15 15 ALA HA H 15 3.950 3.799 0.151 1
1 103 . 9 1 1 A 16 16 TYR H H 16 7.780 7.936 -0.156 1
1 104 . 9 1 1 A 16 16 TYR HA H 16 4.180 4.287 -0.107 1
1 111 . 9 1 1 A 17 17 LEU H H 17 8.240 7.808 0.432 1
1 112 . 9 1 1 A 17 17 LEU HA H 17 3.960 3.896 0.064 1
1 116 . 9 1 1 A 18 18 VAL H H 18 8.370 7.440 0.930 1
1 117 . 9 1 1 A 18 18 VAL HA H 18 3.290 3.219 0.071 1
1 125 . 9 1 1 A 19 19 ALA H H 19 7.480 7.890 -0.410 1
1 126 . 9 1 1 A 19 19 ALA HA H 19 4.090 3.912 0.178 1
1 130 . 9 1 1 A 20 20 LEU H H 20 7.970 7.584 0.386 1
1 131 . 9 1 1 A 20 20 LEU HA H 20 4.030 3.770 0.260 1
1 141 . 9 1 1 A 21 21 VAL H H 21 8.210 7.682 0.528 1
1 142 . 9 1 1 A 21 21 VAL HA H 21 3.680 3.530 0.150 1
1 150 . 9 1 1 A 22 22 GLY H H 22 8.110 7.902 0.208 1
1 151 . 9 1 1 A 22 22 GLY HA2 H 22 3.870 3.759 0.111 1
1 152 . 9 1 1 A 22 22 GLY HA3 H 22 3.850 3.770 0.080 1
1 153 . 9 1 1 A 23 23 ALA H H 23 7.760 7.787 -0.027 1
1 154 . 9 1 1 A 23 23 ALA HA H 23 4.260 3.939 0.321 1
1 158 . 9 1 1 A 24 24 ALA H H 24 7.960 7.451 0.509 1
1 159 . 9 1 1 A 24 24 ALA HA H 24 4.200 4.273 -0.073 1
1 163 . 9 1 1 A 25 25 ALA H H 25 8.190 7.984 0.206 1
1 164 . 9 1 1 A 25 25 ALA HA H 25 4.200 4.112 0.088 1
1 168 . 9 1 1 A 26 26 VAL H H 26 7.700 7.581 0.119 1
1 169 . 9 1 1 A 26 26 VAL HA H 26 4.020 3.884 0.136 1
1 177 . 9 1 1 A 27 27 THR H H 27 7.870 8.068 -0.198 1
1 178 . 9 1 1 A 27 27 THR HA H 27 4.230 3.880 0.350 1
1 183 . 9 1 1 A 28 28 ALA H H 28 8.060 7.366 0.694 1
1 184 . 9 1 1 A 28 28 ALA HA H 28 4.280 4.198 0.082 1
1 188 . 9 1 1 A 29 29 ALA H H 29 7.910 7.607 0.303 1
1 189 . 9 1 1 A 29 29 ALA HA H 29 4.310 4.321 -0.011 1
1 8 . 10 1 1 A 2 2 ALA H H 2 8.530 8.362 0.168 1
1 9 . 10 1 1 A 2 2 ALA HA H 2 4.400 4.645 -0.245 1
1 13 . 10 1 1 A 3 3 ILE H H 3 7.660 8.281 -0.621 1
1 14 . 10 1 1 A 3 3 ILE HA H 3 4.160 3.687 0.473 1
1 24 . 10 1 1 A 4 4 TYR H H 4 7.950 7.842 0.108 1
1 25 . 10 1 1 A 4 4 TYR HA H 4 4.650 4.688 -0.038 1
1 32 . 10 1 1 A 5 5 ILE H H 5 7.860 7.821 0.039 1
1 33 . 10 1 1 A 5 5 ILE HA H 5 4.100 3.822 0.278 1
1 43 . 10 1 1 A 6 6 GLY H H 6 7.940 7.981 -0.041 1
1 44 . 10 1 1 A 6 6 GLY HA2 H 6 3.820 4.130 -0.310 1
1 45 . 10 1 1 A 6 6 GLY HA3 H 6 3.910 4.140 -0.230 1
1 46 . 10 1 1 A 7 7 ALA H H 7 7.810 7.853 -0.043 1
1 47 . 10 1 1 A 7 7 ALA HA H 7 4.350 4.589 -0.239 1
1 51 . 10 1 1 A 8 8 THR H H 8 8.030 7.859 0.171 1
1 52 . 10 1 1 A 8 8 THR HA H 8 4.400 4.323 0.077 1
1 57 . 10 1 1 A 9 9 VAL H H 9 7.990 7.607 0.383 1
1 58 . 10 1 1 A 9 9 VAL HA H 9 4.140 3.948 0.192 1
1 66 . 10 1 1 A 10 10 GLY H H 10 8.340 7.989 0.351 1
1 67 . 10 1 1 A 10 10 GLY HA2 H 10 3.900 3.985 -0.085 1
1 68 . 10 1 1 A 10 10 GLY HA3 H 10 4.150 4.002 0.148 1
1 69 . 10 1 1 A 11 11 PRO HA H 11 4.430 4.426 0.004 1
1 76 . 10 1 1 A 12 12 SER H H 12 7.930 8.240 -0.310 1
1 77 . 10 1 1 A 12 12 SER HA H 12 4.440 4.277 0.163 1
1 80 . 10 1 1 A 13 13 VAL H H 13 8.180 8.137 0.043 1
1 81 . 10 1 1 A 13 13 VAL HA H 13 3.770 3.658 0.112 1
1 89 . 10 1 1 A 14 14 TRP H H 14 8.370 8.036 0.334 1
1 90 . 10 1 1 A 14 14 TRP HA H 14 4.530 4.291 0.239 1
1 98 . 10 1 1 A 15 15 ALA H H 15 7.960 8.054 -0.094 1
1 99 . 10 1 1 A 15 15 ALA HA H 15 3.950 3.869 0.081 1
1 103 . 10 1 1 A 16 16 TYR H H 16 7.780 7.640 0.140 1
1 104 . 10 1 1 A 16 16 TYR HA H 16 4.180 4.266 -0.086 1
1 111 . 10 1 1 A 17 17 LEU H H 17 8.240 7.872 0.368 1
1 112 . 10 1 1 A 17 17 LEU HA H 17 3.960 4.005 -0.045 1
1 116 . 10 1 1 A 18 18 VAL H H 18 8.370 7.625 0.745 1
1 117 . 10 1 1 A 18 18 VAL HA H 18 3.290 3.315 -0.025 1
1 125 . 10 1 1 A 19 19 ALA H H 19 7.480 7.674 -0.194 1
1 126 . 10 1 1 A 19 19 ALA HA H 19 4.090 3.945 0.145 1
1 130 . 10 1 1 A 20 20 LEU H H 20 7.970 7.692 0.278 1
1 131 . 10 1 1 A 20 20 LEU HA H 20 4.030 3.794 0.236 1
1 141 . 10 1 1 A 21 21 VAL H H 21 8.210 7.966 0.244 1
1 142 . 10 1 1 A 21 21 VAL HA H 21 3.680 3.750 -0.070 1
1 150 . 10 1 1 A 22 22 GLY H H 22 8.110 8.207 -0.097 1
1 151 . 10 1 1 A 22 22 GLY HA2 H 22 3.870 3.709 0.161 1
1 152 . 10 1 1 A 22 22 GLY HA3 H 22 3.850 3.727 0.123 1
1 153 . 10 1 1 A 23 23 ALA H H 23 7.760 7.593 0.167 1
1 154 . 10 1 1 A 23 23 ALA HA H 23 4.260 3.963 0.297 1
1 158 . 10 1 1 A 24 24 ALA H H 24 7.960 7.815 0.145 1
1 159 . 10 1 1 A 24 24 ALA HA H 24 4.200 4.195 0.005 1
1 163 . 10 1 1 A 25 25 ALA H H 25 8.190 7.542 0.648 1
1 164 . 10 1 1 A 25 25 ALA HA H 25 4.200 4.171 0.029 1
1 168 . 10 1 1 A 26 26 VAL H H 26 7.700 7.571 0.129 1
1 169 . 10 1 1 A 26 26 VAL HA H 26 4.020 4.232 -0.212 1
1 177 . 10 1 1 A 27 27 THR H H 27 7.870 8.099 -0.229 1
1 178 . 10 1 1 A 27 27 THR HA H 27 4.230 4.594 -0.364 1
1 183 . 10 1 1 A 28 28 ALA H H 28 8.060 7.291 0.769 1
1 184 . 10 1 1 A 28 28 ALA HA H 28 4.280 4.310 -0.030 1
1 188 . 10 1 1 A 29 29 ALA H H 29 7.910 7.364 0.546 1
1 189 . 10 1 1 A 29 29 ALA HA H 29 4.310 4.186 0.124 1
1 8 . 11 1 1 A 2 2 ALA H H 2 8.530 8.675 -0.145 1
1 9 . 11 1 1 A 2 2 ALA HA H 2 4.400 3.982 0.418 1
1 13 . 11 1 1 A 3 3 ILE H H 3 7.660 8.062 -0.402 1
1 14 . 11 1 1 A 3 3 ILE HA H 3 4.160 3.868 0.292 1
1 24 . 11 1 1 A 4 4 TYR H H 4 7.950 7.932 0.018 1
1 25 . 11 1 1 A 4 4 TYR HA H 4 4.650 4.807 -0.157 1
1 32 . 11 1 1 A 5 5 ILE H H 5 7.860 7.749 0.111 1
1 33 . 11 1 1 A 5 5 ILE HA H 5 4.100 4.333 -0.233 1
1 43 . 11 1 1 A 6 6 GLY H H 6 7.940 8.038 -0.098 1
1 44 . 11 1 1 A 6 6 GLY HA2 H 6 3.820 4.041 -0.221 1
1 45 . 11 1 1 A 6 6 GLY HA3 H 6 3.910 4.052 -0.142 1
1 46 . 11 1 1 A 7 7 ALA H H 7 7.810 8.214 -0.404 1
1 47 . 11 1 1 A 7 7 ALA HA H 7 4.350 3.973 0.377 1
1 51 . 11 1 1 A 8 8 THR H H 8 8.030 7.865 0.165 1
1 52 . 11 1 1 A 8 8 THR HA H 8 4.400 4.447 -0.047 1
1 57 . 11 1 1 A 9 9 VAL H H 9 7.990 9.024 -1.034 1
1 58 . 11 1 1 A 9 9 VAL HA H 9 4.140 4.112 0.028 1
1 66 . 11 1 1 A 10 10 GLY H H 10 8.340 7.433 0.907 1
1 67 . 11 1 1 A 10 10 GLY HA2 H 10 3.900 4.078 -0.178 1
1 68 . 11 1 1 A 10 10 GLY HA3 H 10 4.150 4.093 0.057 1
1 69 . 11 1 1 A 11 11 PRO HA H 11 4.430 4.440 -0.010 1
1 76 . 11 1 1 A 12 12 SER H H 12 7.930 8.130 -0.200 1
1 77 . 11 1 1 A 12 12 SER HA H 12 4.440 4.327 0.113 1
1 80 . 11 1 1 A 13 13 VAL H H 13 8.180 8.045 0.135 1
1 81 . 11 1 1 A 13 13 VAL HA H 13 3.770 3.726 0.044 1
1 89 . 11 1 1 A 14 14 TRP H H 14 8.370 8.053 0.317 1
1 90 . 11 1 1 A 14 14 TRP HA H 14 4.530 4.264 0.266 1
1 98 . 11 1 1 A 15 15 ALA H H 15 7.960 8.179 -0.219 1
1 99 . 11 1 1 A 15 15 ALA HA H 15 3.950 3.793 0.157 1
1 103 . 11 1 1 A 16 16 TYR H H 16 7.780 7.841 -0.061 1
1 104 . 11 1 1 A 16 16 TYR HA H 16 4.180 4.096 0.084 1
1 111 . 11 1 1 A 17 17 LEU H H 17 8.240 7.965 0.275 1
1 112 . 11 1 1 A 17 17 LEU HA H 17 3.960 4.092 -0.132 1
1 116 . 11 1 1 A 18 18 VAL H H 18 8.370 7.452 0.918 1
1 117 . 11 1 1 A 18 18 VAL HA H 18 3.290 3.377 -0.087 1
1 125 . 11 1 1 A 19 19 ALA H H 19 7.480 7.742 -0.262 1
1 126 . 11 1 1 A 19 19 ALA HA H 19 4.090 3.842 0.248 1
1 130 . 11 1 1 A 20 20 LEU H H 20 7.970 7.676 0.294 1
1 131 . 11 1 1 A 20 20 LEU HA H 20 4.030 3.837 0.193 1
1 141 . 11 1 1 A 21 21 VAL H H 21 8.210 8.030 0.180 1
1 142 . 11 1 1 A 21 21 VAL HA H 21 3.680 3.707 -0.027 1
1 150 . 11 1 1 A 22 22 GLY H H 22 8.110 7.865 0.245 1
1 151 . 11 1 1 A 22 22 GLY HA2 H 22 3.870 3.664 0.206 1
1 152 . 11 1 1 A 22 22 GLY HA3 H 22 3.850 3.679 0.171 1
1 153 . 11 1 1 A 23 23 ALA H H 23 7.760 7.507 0.253 1
1 154 . 11 1 1 A 23 23 ALA HA H 23 4.260 4.082 0.178 1
1 158 . 11 1 1 A 24 24 ALA H H 24 7.960 7.390 0.570 1
1 159 . 11 1 1 A 24 24 ALA HA H 24 4.200 4.129 0.071 1
1 163 . 11 1 1 A 25 25 ALA H H 25 8.190 7.378 0.812 1
1 164 . 11 1 1 A 25 25 ALA HA H 25 4.200 4.224 -0.024 1
1 168 . 11 1 1 A 26 26 VAL H H 26 7.700 7.562 0.138 1
1 169 . 11 1 1 A 26 26 VAL HA H 26 4.020 4.148 -0.128 1
1 177 . 11 1 1 A 27 27 THR H H 27 7.870 7.877 -0.007 1
1 178 . 11 1 1 A 27 27 THR HA H 27 4.230 4.165 0.065 1
1 183 . 11 1 1 A 28 28 ALA H H 28 8.060 8.011 0.049 1
1 184 . 11 1 1 A 28 28 ALA HA H 28 4.280 4.086 0.194 1
1 188 . 11 1 1 A 29 29 ALA H H 29 7.910 7.701 0.209 1
1 189 . 11 1 1 A 29 29 ALA HA H 29 4.310 4.302 0.008 1
1 8 . 12 1 1 A 2 2 ALA H H 2 8.530 8.382 0.148 1
1 9 . 12 1 1 A 2 2 ALA HA H 2 4.400 4.634 -0.234 1
1 13 . 12 1 1 A 3 3 ILE H H 3 7.660 8.100 -0.440 1
1 14 . 12 1 1 A 3 3 ILE HA H 3 4.160 3.967 0.193 1
1 24 . 12 1 1 A 4 4 TYR H H 4 7.950 7.856 0.094 1
1 25 . 12 1 1 A 4 4 TYR HA H 4 4.650 4.812 -0.162 1
1 32 . 12 1 1 A 5 5 ILE H H 5 7.860 7.612 0.248 1
1 33 . 12 1 1 A 5 5 ILE HA H 5 4.100 4.274 -0.174 1
1 43 . 12 1 1 A 6 6 GLY H H 6 7.940 7.635 0.305 1
1 44 . 12 1 1 A 6 6 GLY HA2 H 6 3.820 3.974 -0.154 1
1 45 . 12 1 1 A 6 6 GLY HA3 H 6 3.910 3.992 -0.082 1
1 46 . 12 1 1 A 7 7 ALA H H 7 7.810 8.145 -0.335 1
1 47 . 12 1 1 A 7 7 ALA HA H 7 4.350 3.854 0.496 1
1 51 . 12 1 1 A 8 8 THR H H 8 8.030 8.093 -0.063 1
1 52 . 12 1 1 A 8 8 THR HA H 8 4.400 4.541 -0.141 1
1 57 . 12 1 1 A 9 9 VAL H H 9 7.990 7.822 0.168 1
1 58 . 12 1 1 A 9 9 VAL HA H 9 4.140 4.274 -0.134 1
1 66 . 12 1 1 A 10 10 GLY H H 10 8.340 7.502 0.838 1
1 67 . 12 1 1 A 10 10 GLY HA2 H 10 3.900 4.364 -0.464 1
1 68 . 12 1 1 A 10 10 GLY HA3 H 10 4.150 4.365 -0.215 1
1 69 . 12 1 1 A 11 11 PRO HA H 11 4.430 4.396 0.034 1
1 76 . 12 1 1 A 12 12 SER H H 12 7.930 8.259 -0.329 1
1 77 . 12 1 1 A 12 12 SER HA H 12 4.440 4.280 0.160 1
1 80 . 12 1 1 A 13 13 VAL H H 13 8.180 8.129 0.051 1
1 81 . 12 1 1 A 13 13 VAL HA H 13 3.770 3.706 0.064 1
1 89 . 12 1 1 A 14 14 TRP H H 14 8.370 7.947 0.423 1
1 90 . 12 1 1 A 14 14 TRP HA H 14 4.530 4.253 0.277 1
1 98 . 12 1 1 A 15 15 ALA H H 15 7.960 8.146 -0.186 1
1 99 . 12 1 1 A 15 15 ALA HA H 15 3.950 3.814 0.136 1
1 103 . 12 1 1 A 16 16 TYR H H 16 7.780 7.711 0.069 1
1 104 . 12 1 1 A 16 16 TYR HA H 16 4.180 4.203 -0.023 1
1 111 . 12 1 1 A 17 17 LEU H H 17 8.240 7.780 0.460 1
1 112 . 12 1 1 A 17 17 LEU HA H 17 3.960 3.972 -0.012 1
1 116 . 12 1 1 A 18 18 VAL H H 18 8.370 7.607 0.763 1
1 117 . 12 1 1 A 18 18 VAL HA H 18 3.290 3.335 -0.045 1
1 125 . 12 1 1 A 19 19 ALA H H 19 7.480 7.712 -0.232 1
1 126 . 12 1 1 A 19 19 ALA HA H 19 4.090 3.916 0.174 1
1 130 . 12 1 1 A 20 20 LEU H H 20 7.970 7.659 0.311 1
1 131 . 12 1 1 A 20 20 LEU HA H 20 4.030 3.745 0.285 1
1 141 . 12 1 1 A 21 21 VAL H H 21 8.210 7.934 0.276 1
1 142 . 12 1 1 A 21 21 VAL HA H 21 3.680 3.713 -0.033 1
1 150 . 12 1 1 A 22 22 GLY H H 22 8.110 8.034 0.076 1
1 151 . 12 1 1 A 22 22 GLY HA2 H 22 3.870 3.719 0.151 1
1 152 . 12 1 1 A 22 22 GLY HA3 H 22 3.850 3.734 0.116 1
1 153 . 12 1 1 A 23 23 ALA H H 23 7.760 7.678 0.082 1
1 154 . 12 1 1 A 23 23 ALA HA H 23 4.260 3.957 0.303 1
1 158 . 12 1 1 A 24 24 ALA H H 24 7.960 7.957 0.003 1
1 159 . 12 1 1 A 24 24 ALA HA H 24 4.200 4.142 0.058 1
1 163 . 12 1 1 A 25 25 ALA H H 25 8.190 7.823 0.367 1
1 164 . 12 1 1 A 25 25 ALA HA H 25 4.200 4.076 0.124 1
1 168 . 12 1 1 A 26 26 VAL H H 26 7.700 7.272 0.428 1
1 169 . 12 1 1 A 26 26 VAL HA H 26 4.020 4.008 0.012 1
1 177 . 12 1 1 A 27 27 THR H H 27 7.870 7.442 0.428 1
1 178 . 12 1 1 A 27 27 THR HA H 27 4.230 4.236 -0.006 1
1 183 . 12 1 1 A 28 28 ALA H H 28 8.060 7.462 0.598 1
1 184 . 12 1 1 A 28 28 ALA HA H 28 4.280 4.392 -0.112 1
1 188 . 12 1 1 A 29 29 ALA H H 29 7.910 7.859 0.051 1
1 189 . 12 1 1 A 29 29 ALA HA H 29 4.310 4.152 0.158 1
1 8 . 13 1 1 A 2 2 ALA H H 2 8.530 8.230 0.300 1
1 9 . 13 1 1 A 2 2 ALA HA H 2 4.400 4.775 -0.375 1
1 13 . 13 1 1 A 3 3 ILE H H 3 7.660 8.731 -1.071 1
1 14 . 13 1 1 A 3 3 ILE HA H 3 4.160 4.186 -0.026 1
1 24 . 13 1 1 A 4 4 TYR H H 4 7.950 8.148 -0.198 1
1 25 . 13 1 1 A 4 4 TYR HA H 4 4.650 4.748 -0.098 1
1 32 . 13 1 1 A 5 5 ILE H H 5 7.860 7.718 0.142 1
1 33 . 13 1 1 A 5 5 ILE HA H 5 4.100 4.241 -0.141 1
1 43 . 13 1 1 A 6 6 GLY H H 6 7.940 7.946 -0.006 1
1 44 . 13 1 1 A 6 6 GLY HA2 H 6 3.820 3.959 -0.139 1
1 45 . 13 1 1 A 6 6 GLY HA3 H 6 3.910 3.981 -0.071 1
1 46 . 13 1 1 A 7 7 ALA H H 7 7.810 8.202 -0.392 1
1 47 . 13 1 1 A 7 7 ALA HA H 7 4.350 4.079 0.271 1
1 51 . 13 1 1 A 8 8 THR H H 8 8.030 7.808 0.222 1
1 52 . 13 1 1 A 8 8 THR HA H 8 4.400 4.335 0.065 1
1 57 . 13 1 1 A 9 9 VAL H H 9 7.990 7.900 0.090 1
1 58 . 13 1 1 A 9 9 VAL HA H 9 4.140 4.399 -0.259 1
1 66 . 13 1 1 A 10 10 GLY H H 10 8.340 8.330 0.010 1
1 67 . 13 1 1 A 10 10 GLY HA2 H 10 3.900 3.926 -0.026 1
1 68 . 13 1 1 A 10 10 GLY HA3 H 10 4.150 3.932 0.218 1
1 69 . 13 1 1 A 11 11 PRO HA H 11 4.430 4.418 0.012 1
1 76 . 13 1 1 A 12 12 SER H H 12 7.930 8.293 -0.363 1
1 77 . 13 1 1 A 12 12 SER HA H 12 4.440 4.279 0.161 1
1 80 . 13 1 1 A 13 13 VAL H H 13 8.180 8.085 0.095 1
1 81 . 13 1 1 A 13 13 VAL HA H 13 3.770 3.712 0.058 1
1 89 . 13 1 1 A 14 14 TRP H H 14 8.370 7.850 0.520 1
1 90 . 13 1 1 A 14 14 TRP HA H 14 4.530 4.280 0.250 1
1 98 . 13 1 1 A 15 15 ALA H H 15 7.960 8.226 -0.266 1
1 99 . 13 1 1 A 15 15 ALA HA H 15 3.950 3.802 0.148 1
1 103 . 13 1 1 A 16 16 TYR H H 16 7.780 7.829 -0.049 1
1 104 . 13 1 1 A 16 16 TYR HA H 16 4.180 4.269 -0.089 1
1 111 . 13 1 1 A 17 17 LEU H H 17 8.240 7.837 0.403 1
1 112 . 13 1 1 A 17 17 LEU HA H 17 3.960 4.023 -0.063 1
1 116 . 13 1 1 A 18 18 VAL H H 18 8.370 7.532 0.838 1
1 117 . 13 1 1 A 18 18 VAL HA H 18 3.290 3.371 -0.081 1
1 125 . 13 1 1 A 19 19 ALA H H 19 7.480 7.717 -0.237 1
1 126 . 13 1 1 A 19 19 ALA HA H 19 4.090 3.920 0.170 1
1 130 . 13 1 1 A 20 20 LEU H H 20 7.970 7.755 0.215 1
1 131 . 13 1 1 A 20 20 LEU HA H 20 4.030 3.849 0.181 1
1 141 . 13 1 1 A 21 21 VAL H H 21 8.210 7.873 0.337 1
1 142 . 13 1 1 A 21 21 VAL HA H 21 3.680 3.666 0.014 1
1 150 . 13 1 1 A 22 22 GLY H H 22 8.110 8.020 0.090 1
1 151 . 13 1 1 A 22 22 GLY HA2 H 22 3.870 3.776 0.094 1
1 152 . 13 1 1 A 22 22 GLY HA3 H 22 3.850 3.796 0.054 1
1 153 . 13 1 1 A 23 23 ALA H H 23 7.760 7.634 0.126 1
1 154 . 13 1 1 A 23 23 ALA HA H 23 4.260 4.035 0.225 1
1 158 . 13 1 1 A 24 24 ALA H H 24 7.960 7.725 0.235 1
1 159 . 13 1 1 A 24 24 ALA HA H 24 4.200 4.174 0.026 1
1 163 . 13 1 1 A 25 25 ALA H H 25 8.190 7.865 0.325 1
1 164 . 13 1 1 A 25 25 ALA HA H 25 4.200 4.101 0.099 1
1 168 . 13 1 1 A 26 26 VAL H H 26 7.700 7.750 -0.050 1
1 169 . 13 1 1 A 26 26 VAL HA H 26 4.020 3.809 0.211 1
1 177 . 13 1 1 A 27 27 THR H H 27 7.870 7.562 0.308 1
1 178 . 13 1 1 A 27 27 THR HA H 27 4.230 4.487 -0.257 1
1 183 . 13 1 1 A 28 28 ALA H H 28 8.060 7.161 0.899 1
1 184 . 13 1 1 A 28 28 ALA HA H 28 4.280 4.307 -0.027 1
1 188 . 13 1 1 A 29 29 ALA H H 29 7.910 7.444 0.466 1
1 189 . 13 1 1 A 29 29 ALA HA H 29 4.310 4.273 0.037 1
1 8 . 14 1 1 A 2 2 ALA H H 2 8.530 8.352 0.178 1
1 9 . 14 1 1 A 2 2 ALA HA H 2 4.400 4.662 -0.262 1
1 13 . 14 1 1 A 3 3 ILE H H 3 7.660 8.603 -0.943 1
1 14 . 14 1 1 A 3 3 ILE HA H 3 4.160 3.746 0.414 1
1 24 . 14 1 1 A 4 4 TYR H H 4 7.950 7.918 0.032 1
1 25 . 14 1 1 A 4 4 TYR HA H 4 4.650 4.804 -0.154 1
1 32 . 14 1 1 A 5 5 ILE H H 5 7.860 7.788 0.072 1
1 33 . 14 1 1 A 5 5 ILE HA H 5 4.100 4.332 -0.232 1
1 43 . 14 1 1 A 6 6 GLY H H 6 7.940 7.844 0.096 1
1 44 . 14 1 1 A 6 6 GLY HA2 H 6 3.820 4.025 -0.205 1
1 45 . 14 1 1 A 6 6 GLY HA3 H 6 3.910 4.039 -0.129 1
1 46 . 14 1 1 A 7 7 ALA H H 7 7.810 7.722 0.088 1
1 47 . 14 1 1 A 7 7 ALA HA H 7 4.350 4.501 -0.151 1
1 51 . 14 1 1 A 8 8 THR H H 8 8.030 7.514 0.516 1
1 52 . 14 1 1 A 8 8 THR HA H 8 4.400 4.697 -0.297 1
1 57 . 14 1 1 A 9 9 VAL H H 9 7.990 8.879 -0.889 1
1 58 . 14 1 1 A 9 9 VAL HA H 9 4.140 4.084 0.056 1
1 66 . 14 1 1 A 10 10 GLY H H 10 8.340 7.333 1.007 1
1 67 . 14 1 1 A 10 10 GLY HA2 H 10 3.900 4.146 -0.246 1
1 68 . 14 1 1 A 10 10 GLY HA3 H 10 4.150 4.169 -0.019 1
1 69 . 14 1 1 A 11 11 PRO HA H 11 4.430 4.382 0.048 1
1 76 . 14 1 1 A 12 12 SER H H 12 7.930 8.260 -0.330 1
1 77 . 14 1 1 A 12 12 SER HA H 12 4.440 4.268 0.172 1
1 80 . 14 1 1 A 13 13 VAL H H 13 8.180 8.040 0.140 1
1 81 . 14 1 1 A 13 13 VAL HA H 13 3.770 3.745 0.025 1
1 89 . 14 1 1 A 14 14 TRP H H 14 8.370 8.216 0.154 1
1 90 . 14 1 1 A 14 14 TRP HA H 14 4.530 4.283 0.247 1
1 98 . 14 1 1 A 15 15 ALA H H 15 7.960 8.233 -0.273 1
1 99 . 14 1 1 A 15 15 ALA HA H 15 3.950 4.051 -0.101 1
1 103 . 14 1 1 A 16 16 TYR H H 16 7.780 7.750 0.030 1
1 104 . 14 1 1 A 16 16 TYR HA H 16 4.180 4.193 -0.013 1
1 111 . 14 1 1 A 17 17 LEU H H 17 8.240 7.694 0.546 1
1 112 . 14 1 1 A 17 17 LEU HA H 17 3.960 3.903 0.057 1
1 116 . 14 1 1 A 18 18 VAL H H 18 8.370 7.097 1.273 1
1 117 . 14 1 1 A 18 18 VAL HA H 18 3.290 3.416 -0.126 1
1 125 . 14 1 1 A 19 19 ALA H H 19 7.480 8.007 -0.527 1
1 126 . 14 1 1 A 19 19 ALA HA H 19 4.090 3.876 0.214 1
1 130 . 14 1 1 A 20 20 LEU H H 20 7.970 7.872 0.098 1
1 131 . 14 1 1 A 20 20 LEU HA H 20 4.030 3.862 0.168 1
1 141 . 14 1 1 A 21 21 VAL H H 21 8.210 7.820 0.390 1
1 142 . 14 1 1 A 21 21 VAL HA H 21 3.680 3.656 0.024 1
1 150 . 14 1 1 A 22 22 GLY H H 22 8.110 8.169 -0.059 1
1 151 . 14 1 1 A 22 22 GLY HA2 H 22 3.870 3.740 0.130 1
1 152 . 14 1 1 A 22 22 GLY HA3 H 22 3.850 3.750 0.100 1
1 153 . 14 1 1 A 23 23 ALA H H 23 7.760 7.649 0.111 1
1 154 . 14 1 1 A 23 23 ALA HA H 23 4.260 3.947 0.313 1
1 158 . 14 1 1 A 24 24 ALA H H 24 7.960 8.010 -0.050 1
1 159 . 14 1 1 A 24 24 ALA HA H 24 4.200 4.137 0.063 1
1 163 . 14 1 1 A 25 25 ALA H H 25 8.190 7.722 0.468 1
1 164 . 14 1 1 A 25 25 ALA HA H 25 4.200 4.165 0.035 1
1 168 . 14 1 1 A 26 26 VAL H H 26 7.700 7.291 0.409 1
1 169 . 14 1 1 A 26 26 VAL HA H 26 4.020 4.155 -0.135 1
1 177 . 14 1 1 A 27 27 THR H H 27 7.870 7.707 0.163 1
1 178 . 14 1 1 A 27 27 THR HA H 27 4.230 4.572 -0.342 1
1 183 . 14 1 1 A 28 28 ALA H H 28 8.060 7.581 0.479 1
1 184 . 14 1 1 A 28 28 ALA HA H 28 4.280 4.522 -0.242 1
1 188 . 14 1 1 A 29 29 ALA H H 29 7.910 7.972 -0.062 1
1 189 . 14 1 1 A 29 29 ALA HA H 29 4.310 4.254 0.056 1
1 8 . 15 1 1 A 2 2 ALA H H 2 8.530 8.353 0.177 1
1 9 . 15 1 1 A 2 2 ALA HA H 2 4.400 4.744 -0.344 1
1 13 . 15 1 1 A 3 3 ILE H H 3 7.660 8.004 -0.344 1
1 14 . 15 1 1 A 3 3 ILE HA H 3 4.160 3.911 0.249 1
1 24 . 15 1 1 A 4 4 TYR H H 4 7.950 8.031 -0.081 1
1 25 . 15 1 1 A 4 4 TYR HA H 4 4.650 4.843 -0.193 1
1 32 . 15 1 1 A 5 5 ILE H H 5 7.860 7.704 0.156 1
1 33 . 15 1 1 A 5 5 ILE HA H 5 4.100 4.272 -0.172 1
1 43 . 15 1 1 A 6 6 GLY H H 6 7.940 7.732 0.208 1
1 44 . 15 1 1 A 6 6 GLY HA2 H 6 3.820 4.000 -0.180 1
1 45 . 15 1 1 A 6 6 GLY HA3 H 6 3.910 4.016 -0.106 1
1 46 . 15 1 1 A 7 7 ALA H H 7 7.810 7.702 0.108 1
1 47 . 15 1 1 A 7 7 ALA HA H 7 4.350 4.379 -0.029 1
1 51 . 15 1 1 A 8 8 THR H H 8 8.030 7.285 0.745 1
1 52 . 15 1 1 A 8 8 THR HA H 8 4.400 3.598 0.802 1
1 57 . 15 1 1 A 9 9 VAL H H 9 7.990 8.743 -0.753 1
1 58 . 15 1 1 A 9 9 VAL HA H 9 4.140 3.954 0.186 1
1 66 . 15 1 1 A 10 10 GLY H H 10 8.340 7.437 0.903 1
1 67 . 15 1 1 A 10 10 GLY HA2 H 10 3.900 4.350 -0.450 1
1 68 . 15 1 1 A 10 10 GLY HA3 H 10 4.150 4.375 -0.225 1
1 69 . 15 1 1 A 11 11 PRO HA H 11 4.430 4.443 -0.013 1
1 76 . 15 1 1 A 12 12 SER H H 12 7.930 8.255 -0.325 1
1 77 . 15 1 1 A 12 12 SER HA H 12 4.440 4.282 0.158 1
1 80 . 15 1 1 A 13 13 VAL H H 13 8.180 8.082 0.098 1
1 81 . 15 1 1 A 13 13 VAL HA H 13 3.770 3.623 0.147 1
1 89 . 15 1 1 A 14 14 TRP H H 14 8.370 8.052 0.318 1
1 90 . 15 1 1 A 14 14 TRP HA H 14 4.530 4.278 0.252 1
1 98 . 15 1 1 A 15 15 ALA H H 15 7.960 8.129 -0.169 1
1 99 . 15 1 1 A 15 15 ALA HA H 15 3.950 3.953 -0.003 1
1 103 . 15 1 1 A 16 16 TYR H H 16 7.780 7.689 0.091 1
1 104 . 15 1 1 A 16 16 TYR HA H 16 4.180 4.184 -0.004 1
1 111 . 15 1 1 A 17 17 LEU H H 17 8.240 7.821 0.419 1
1 112 . 15 1 1 A 17 17 LEU HA H 17 3.960 4.044 -0.084 1
1 116 . 15 1 1 A 18 18 VAL H H 18 8.370 7.548 0.822 1
1 117 . 15 1 1 A 18 18 VAL HA H 18 3.290 3.317 -0.027 1
1 125 . 15 1 1 A 19 19 ALA H H 19 7.480 7.880 -0.400 1
1 126 . 15 1 1 A 19 19 ALA HA H 19 4.090 3.867 0.223 1
1 130 . 15 1 1 A 20 20 LEU H H 20 7.970 7.679 0.291 1
1 131 . 15 1 1 A 20 20 LEU HA H 20 4.030 3.839 0.191 1
1 141 . 15 1 1 A 21 21 VAL H H 21 8.210 7.689 0.521 1
1 142 . 15 1 1 A 21 21 VAL HA H 21 3.680 3.940 -0.260 1
1 150 . 15 1 1 A 22 22 GLY H H 22 8.110 7.763 0.347 1
1 151 . 15 1 1 A 22 22 GLY HA2 H 22 3.870 3.857 0.013 1
1 152 . 15 1 1 A 22 22 GLY HA3 H 22 3.850 3.875 -0.025 1
1 153 . 15 1 1 A 23 23 ALA H H 23 7.760 7.414 0.346 1
1 154 . 15 1 1 A 23 23 ALA HA H 23 4.260 4.022 0.238 1
1 158 . 15 1 1 A 24 24 ALA H H 24 7.960 7.992 -0.032 1
1 159 . 15 1 1 A 24 24 ALA HA H 24 4.200 4.137 0.063 1
1 163 . 15 1 1 A 25 25 ALA H H 25 8.190 7.665 0.525 1
1 164 . 15 1 1 A 25 25 ALA HA H 25 4.200 4.082 0.118 1
1 168 . 15 1 1 A 26 26 VAL H H 26 7.700 7.701 -0.001 1
1 169 . 15 1 1 A 26 26 VAL HA H 26 4.020 3.853 0.167 1
1 177 . 15 1 1 A 27 27 THR H H 27 7.870 7.770 0.100 1
1 178 . 15 1 1 A 27 27 THR HA H 27 4.230 4.297 -0.067 1
1 183 . 15 1 1 A 28 28 ALA H H 28 8.060 7.524 0.536 1
1 184 . 15 1 1 A 28 28 ALA HA H 28 4.280 4.325 -0.045 1
1 188 . 15 1 1 A 29 29 ALA H H 29 7.910 7.678 0.232 1
1 189 . 15 1 1 A 29 29 ALA HA H 29 4.310 4.640 -0.330 1
1 8 . 16 1 1 A 2 2 ALA H H 2 8.530 8.431 0.099 1
1 9 . 16 1 1 A 2 2 ALA HA H 2 4.400 4.688 -0.288 1
1 13 . 16 1 1 A 3 3 ILE H H 3 7.660 8.021 -0.361 1
1 14 . 16 1 1 A 3 3 ILE HA H 3 4.160 4.053 0.107 1
1 24 . 16 1 1 A 4 4 TYR H H 4 7.950 8.071 -0.121 1
1 25 . 16 1 1 A 4 4 TYR HA H 4 4.650 4.836 -0.186 1
1 32 . 16 1 1 A 5 5 ILE H H 5 7.860 7.677 0.183 1
1 33 . 16 1 1 A 5 5 ILE HA H 5 4.100 4.252 -0.152 1
1 43 . 16 1 1 A 6 6 GLY H H 6 7.940 7.817 0.123 1
1 44 . 16 1 1 A 6 6 GLY HA2 H 6 3.820 3.961 -0.141 1
1 45 . 16 1 1 A 6 6 GLY HA3 H 6 3.910 3.980 -0.070 1
1 46 . 16 1 1 A 7 7 ALA H H 7 7.810 8.143 -0.333 1
1 47 . 16 1 1 A 7 7 ALA HA H 7 4.350 3.969 0.381 1
1 51 . 16 1 1 A 8 8 THR H H 8 8.030 7.799 0.231 1
1 52 . 16 1 1 A 8 8 THR HA H 8 4.400 4.405 -0.005 1
1 57 . 16 1 1 A 9 9 VAL H H 9 7.990 9.024 -1.034 1
1 58 . 16 1 1 A 9 9 VAL HA H 9 4.140 4.310 -0.170 1
1 66 . 16 1 1 A 10 10 GLY H H 10 8.340 7.890 0.450 1
1 67 . 16 1 1 A 10 10 GLY HA2 H 10 3.900 4.052 -0.152 1
1 68 . 16 1 1 A 10 10 GLY HA3 H 10 4.150 4.067 0.083 1
1 69 . 16 1 1 A 11 11 PRO HA H 11 4.430 4.398 0.032 1
1 76 . 16 1 1 A 12 12 SER H H 12 7.930 8.304 -0.374 1
1 77 . 16 1 1 A 12 12 SER HA H 12 4.440 4.301 0.139 1
1 80 . 16 1 1 A 13 13 VAL H H 13 8.180 8.048 0.132 1
1 81 . 16 1 1 A 13 13 VAL HA H 13 3.770 3.651 0.119 1
1 89 . 16 1 1 A 14 14 TRP H H 14 8.370 8.151 0.219 1
1 90 . 16 1 1 A 14 14 TRP HA H 14 4.530 4.267 0.263 1
1 98 . 16 1 1 A 15 15 ALA H H 15 7.960 8.238 -0.278 1
1 99 . 16 1 1 A 15 15 ALA HA H 15 3.950 3.879 0.071 1
1 103 . 16 1 1 A 16 16 TYR H H 16 7.780 7.755 0.025 1
1 104 . 16 1 1 A 16 16 TYR HA H 16 4.180 4.273 -0.093 1
1 111 . 16 1 1 A 17 17 LEU H H 17 8.240 7.614 0.626 1
1 112 . 16 1 1 A 17 17 LEU HA H 17 3.960 3.999 -0.039 1
1 116 . 16 1 1 A 18 18 VAL H H 18 8.370 7.395 0.975 1
1 117 . 16 1 1 A 18 18 VAL HA H 18 3.290 3.304 -0.014 1
1 125 . 16 1 1 A 19 19 ALA H H 19 7.480 8.041 -0.561 1
1 126 . 16 1 1 A 19 19 ALA HA H 19 4.090 3.965 0.125 1
1 130 . 16 1 1 A 20 20 LEU H H 20 7.970 7.752 0.218 1
1 131 . 16 1 1 A 20 20 LEU HA H 20 4.030 3.963 0.067 1
1 141 . 16 1 1 A 21 21 VAL H H 21 8.210 7.894 0.316 1
1 142 . 16 1 1 A 21 21 VAL HA H 21 3.680 3.757 -0.077 1
1 150 . 16 1 1 A 22 22 GLY H H 22 8.110 7.689 0.421 1
1 151 . 16 1 1 A 22 22 GLY HA2 H 22 3.870 3.836 0.034 1
1 152 . 16 1 1 A 22 22 GLY HA3 H 22 3.850 3.848 0.002 1
1 153 . 16 1 1 A 23 23 ALA H H 23 7.760 7.686 0.074 1
1 154 . 16 1 1 A 23 23 ALA HA H 23 4.260 4.057 0.203 1
1 158 . 16 1 1 A 24 24 ALA H H 24 7.960 7.592 0.368 1
1 159 . 16 1 1 A 24 24 ALA HA H 24 4.200 4.237 -0.037 1
1 163 . 16 1 1 A 25 25 ALA H H 25 8.190 7.797 0.393 1
1 164 . 16 1 1 A 25 25 ALA HA H 25 4.200 4.129 0.071 1
1 168 . 16 1 1 A 26 26 VAL H H 26 7.700 7.546 0.154 1
1 169 . 16 1 1 A 26 26 VAL HA H 26 4.020 4.189 -0.169 1
1 177 . 16 1 1 A 27 27 THR H H 27 7.870 7.506 0.364 1
1 178 . 16 1 1 A 27 27 THR HA H 27 4.230 4.362 -0.132 1
1 183 . 16 1 1 A 28 28 ALA H H 28 8.060 7.056 1.004 1
1 184 . 16 1 1 A 28 28 ALA HA H 28 4.280 4.414 -0.134 1
1 188 . 16 1 1 A 29 29 ALA H H 29 7.910 7.399 0.511 1
1 189 . 16 1 1 A 29 29 ALA HA H 29 4.310 4.352 -0.042 1
1 8 . 17 1 1 A 2 2 ALA H H 2 8.530 8.331 0.199 1
1 9 . 17 1 1 A 2 2 ALA HA H 2 4.400 4.643 -0.243 1
1 13 . 17 1 1 A 3 3 ILE H H 3 7.660 8.228 -0.568 1
1 14 . 17 1 1 A 3 3 ILE HA H 3 4.160 3.621 0.539 1
1 24 . 17 1 1 A 4 4 TYR H H 4 7.950 8.003 -0.053 1
1 25 . 17 1 1 A 4 4 TYR HA H 4 4.650 4.691 -0.041 1
1 32 . 17 1 1 A 5 5 ILE H H 5 7.860 7.882 -0.022 1
1 33 . 17 1 1 A 5 5 ILE HA H 5 4.100 4.383 -0.283 1
1 43 . 17 1 1 A 6 6 GLY H H 6 7.940 8.008 -0.068 1
1 44 . 17 1 1 A 6 6 GLY HA2 H 6 3.820 4.086 -0.266 1
1 45 . 17 1 1 A 6 6 GLY HA3 H 6 3.910 4.094 -0.184 1
1 46 . 17 1 1 A 7 7 ALA H H 7 7.810 7.728 0.082 1
1 47 . 17 1 1 A 7 7 ALA HA H 7 4.350 4.485 -0.135 1
1 51 . 17 1 1 A 8 8 THR H H 8 8.030 7.398 0.632 1
1 52 . 17 1 1 A 8 8 THR HA H 8 4.400 4.215 0.185 1
1 57 . 17 1 1 A 9 9 VAL H H 9 7.990 8.925 -0.935 1
1 58 . 17 1 1 A 9 9 VAL HA H 9 4.140 3.936 0.204 1
1 66 . 17 1 1 A 10 10 GLY H H 10 8.340 7.535 0.805 1
1 67 . 17 1 1 A 10 10 GLY HA2 H 10 3.900 4.285 -0.385 1
1 68 . 17 1 1 A 10 10 GLY HA3 H 10 4.150 4.304 -0.154 1
1 69 . 17 1 1 A 11 11 PRO HA H 11 4.430 4.400 0.030 1
1 76 . 17 1 1 A 12 12 SER H H 12 7.930 8.213 -0.283 1
1 77 . 17 1 1 A 12 12 SER HA H 12 4.440 4.248 0.192 1
1 80 . 17 1 1 A 13 13 VAL H H 13 8.180 8.079 0.101 1
1 81 . 17 1 1 A 13 13 VAL HA H 13 3.770 3.742 0.028 1
1 89 . 17 1 1 A 14 14 TRP H H 14 8.370 7.992 0.378 1
1 90 . 17 1 1 A 14 14 TRP HA H 14 4.530 4.265 0.265 1
1 98 . 17 1 1 A 15 15 ALA H H 15 7.960 8.188 -0.228 1
1 99 . 17 1 1 A 15 15 ALA HA H 15 3.950 3.848 0.102 1
1 103 . 17 1 1 A 16 16 TYR H H 16 7.780 7.742 0.038 1
1 104 . 17 1 1 A 16 16 TYR HA H 16 4.180 4.167 0.013 1
1 111 . 17 1 1 A 17 17 LEU H H 17 8.240 7.885 0.355 1
1 112 . 17 1 1 A 17 17 LEU HA H 17 3.960 3.968 -0.008 1
1 116 . 17 1 1 A 18 18 VAL H H 18 8.370 7.806 0.564 1
1 117 . 17 1 1 A 18 18 VAL HA H 18 3.290 3.309 -0.019 1
1 125 . 17 1 1 A 19 19 ALA H H 19 7.480 7.494 -0.014 1
1 126 . 17 1 1 A 19 19 ALA HA H 19 4.090 4.104 -0.014 1
1 130 . 17 1 1 A 20 20 LEU H H 20 7.970 7.625 0.345 1
1 131 . 17 1 1 A 20 20 LEU HA H 20 4.030 3.833 0.197 1
1 141 . 17 1 1 A 21 21 VAL H H 21 8.210 7.876 0.334 1
1 142 . 17 1 1 A 21 21 VAL HA H 21 3.680 3.599 0.081 1
1 150 . 17 1 1 A 22 22 GLY H H 22 8.110 7.808 0.302 1
1 151 . 17 1 1 A 22 22 GLY HA2 H 22 3.870 3.736 0.134 1
1 152 . 17 1 1 A 22 22 GLY HA3 H 22 3.850 3.746 0.104 1
1 153 . 17 1 1 A 23 23 ALA H H 23 7.760 7.606 0.154 1
1 154 . 17 1 1 A 23 23 ALA HA H 23 4.260 4.002 0.258 1
1 158 . 17 1 1 A 24 24 ALA H H 24 7.960 8.067 -0.107 1
1 159 . 17 1 1 A 24 24 ALA HA H 24 4.200 4.074 0.126 1
1 163 . 17 1 1 A 25 25 ALA H H 25 8.190 7.843 0.347 1
1 164 . 17 1 1 A 25 25 ALA HA H 25 4.200 4.135 0.065 1
1 168 . 17 1 1 A 26 26 VAL H H 26 7.700 7.357 0.343 1
1 169 . 17 1 1 A 26 26 VAL HA H 26 4.020 4.182 -0.162 1
1 177 . 17 1 1 A 27 27 THR H H 27 7.870 7.675 0.195 1
1 178 . 17 1 1 A 27 27 THR HA H 27 4.230 4.370 -0.140 1
1 183 . 17 1 1 A 28 28 ALA H H 28 8.060 7.577 0.483 1
1 184 . 17 1 1 A 28 28 ALA HA H 28 4.280 4.082 0.198 1
1 188 . 17 1 1 A 29 29 ALA H H 29 7.910 7.467 0.443 1
1 189 . 17 1 1 A 29 29 ALA HA H 29 4.310 4.334 -0.024 1
1 8 . 18 1 1 A 2 2 ALA H H 2 8.530 8.381 0.149 1
1 9 . 18 1 1 A 2 2 ALA HA H 2 4.400 4.740 -0.340 1
1 13 . 18 1 1 A 3 3 ILE H H 3 7.660 7.958 -0.298 1
1 14 . 18 1 1 A 3 3 ILE HA H 3 4.160 4.083 0.077 1
1 24 . 18 1 1 A 4 4 TYR H H 4 7.950 8.084 -0.134 1
1 25 . 18 1 1 A 4 4 TYR HA H 4 4.650 4.846 -0.196 1
1 32 . 18 1 1 A 5 5 ILE H H 5 7.860 7.625 0.235 1
1 33 . 18 1 1 A 5 5 ILE HA H 5 4.100 4.378 -0.278 1
1 43 . 18 1 1 A 6 6 GLY H H 6 7.940 7.486 0.454 1
1 44 . 18 1 1 A 6 6 GLY HA2 H 6 3.820 4.061 -0.241 1
1 45 . 18 1 1 A 6 6 GLY HA3 H 6 3.910 4.069 -0.159 1
1 46 . 18 1 1 A 7 7 ALA H H 7 7.810 7.812 -0.002 1
1 47 . 18 1 1 A 7 7 ALA HA H 7 4.350 4.440 -0.090 1
1 51 . 18 1 1 A 8 8 THR H H 8 8.030 7.416 0.614 1
1 52 . 18 1 1 A 8 8 THR HA H 8 4.400 4.495 -0.095 1
1 57 . 18 1 1 A 9 9 VAL H H 9 7.990 8.650 -0.660 1
1 58 . 18 1 1 A 9 9 VAL HA H 9 4.140 3.755 0.385 1
1 66 . 18 1 1 A 10 10 GLY H H 10 8.340 7.812 0.528 1
1 67 . 18 1 1 A 10 10 GLY HA2 H 10 3.900 3.995 -0.095 1
1 68 . 18 1 1 A 10 10 GLY HA3 H 10 4.150 4.002 0.148 1
1 69 . 18 1 1 A 11 11 PRO HA H 11 4.430 4.421 0.009 1
1 76 . 18 1 1 A 12 12 SER H H 12 7.930 8.294 -0.364 1
1 77 . 18 1 1 A 12 12 SER HA H 12 4.440 4.313 0.127 1
1 80 . 18 1 1 A 13 13 VAL H H 13 8.180 8.087 0.093 1
1 81 . 18 1 1 A 13 13 VAL HA H 13 3.770 3.709 0.061 1
1 89 . 18 1 1 A 14 14 TRP H H 14 8.370 7.912 0.458 1
1 90 . 18 1 1 A 14 14 TRP HA H 14 4.530 4.304 0.226 1
1 98 . 18 1 1 A 15 15 ALA H H 15 7.960 8.210 -0.250 1
1 99 . 18 1 1 A 15 15 ALA HA H 15 3.950 3.897 0.053 1
1 103 . 18 1 1 A 16 16 TYR H H 16 7.780 7.539 0.241 1
1 104 . 18 1 1 A 16 16 TYR HA H 16 4.180 4.182 -0.002 1
1 111 . 18 1 1 A 17 17 LEU H H 17 8.240 7.738 0.502 1
1 112 . 18 1 1 A 17 17 LEU HA H 17 3.960 4.007 -0.047 1
1 116 . 18 1 1 A 18 18 VAL H H 18 8.370 7.695 0.675 1
1 117 . 18 1 1 A 18 18 VAL HA H 18 3.290 3.253 0.037 1
1 125 . 18 1 1 A 19 19 ALA H H 19 7.480 7.660 -0.180 1
1 126 . 18 1 1 A 19 19 ALA HA H 19 4.090 3.916 0.174 1
1 130 . 18 1 1 A 20 20 LEU H H 20 7.970 7.614 0.356 1
1 131 . 18 1 1 A 20 20 LEU HA H 20 4.030 3.813 0.217 1
1 141 . 18 1 1 A 21 21 VAL H H 21 8.210 8.007 0.203 1
1 142 . 18 1 1 A 21 21 VAL HA H 21 3.680 3.668 0.012 1
1 150 . 18 1 1 A 22 22 GLY H H 22 8.110 8.097 0.013 1
1 151 . 18 1 1 A 22 22 GLY HA2 H 22 3.870 3.760 0.110 1
1 152 . 18 1 1 A 22 22 GLY HA3 H 22 3.850 3.777 0.073 1
1 153 . 18 1 1 A 23 23 ALA H H 23 7.760 7.766 -0.006 1
1 154 . 18 1 1 A 23 23 ALA HA H 23 4.260 4.019 0.241 1
1 158 . 18 1 1 A 24 24 ALA H H 24 7.960 7.498 0.462 1
1 159 . 18 1 1 A 24 24 ALA HA H 24 4.200 4.152 0.048 1
1 163 . 18 1 1 A 25 25 ALA H H 25 8.190 7.701 0.489 1
1 164 . 18 1 1 A 25 25 ALA HA H 25 4.200 4.153 0.047 1
1 168 . 18 1 1 A 26 26 VAL H H 26 7.700 7.541 0.159 1
1 169 . 18 1 1 A 26 26 VAL HA H 26 4.020 4.269 -0.249 1
1 177 . 18 1 1 A 27 27 THR H H 27 7.870 7.715 0.155 1
1 178 . 18 1 1 A 27 27 THR HA H 27 4.230 4.590 -0.360 1
1 183 . 18 1 1 A 28 28 ALA H H 28 8.060 7.516 0.544 1
1 184 . 18 1 1 A 28 28 ALA HA H 28 4.280 4.201 0.079 1
1 188 . 18 1 1 A 29 29 ALA H H 29 7.910 7.730 0.180 1
1 189 . 18 1 1 A 29 29 ALA HA H 29 4.310 4.353 -0.043 1
1 8 . 19 1 1 A 2 2 ALA H H 2 8.530 8.523 0.007 1
1 9 . 19 1 1 A 2 2 ALA HA H 2 4.400 4.744 -0.344 1
1 13 . 19 1 1 A 3 3 ILE H H 3 7.660 8.056 -0.396 1
1 14 . 19 1 1 A 3 3 ILE HA H 3 4.160 3.883 0.277 1
1 24 . 19 1 1 A 4 4 TYR H H 4 7.950 7.858 0.092 1
1 25 . 19 1 1 A 4 4 TYR HA H 4 4.650 4.818 -0.168 1
1 32 . 19 1 1 A 5 5 ILE H H 5 7.860 7.689 0.171 1
1 33 . 19 1 1 A 5 5 ILE HA H 5 4.100 4.487 -0.387 1
1 43 . 19 1 1 A 6 6 GLY H H 6 7.940 7.882 0.058 1
1 44 . 19 1 1 A 6 6 GLY HA2 H 6 3.820 3.980 -0.160 1
1 45 . 19 1 1 A 6 6 GLY HA3 H 6 3.910 3.983 -0.073 1
1 46 . 19 1 1 A 7 7 ALA H H 7 7.810 7.859 -0.049 1
1 47 . 19 1 1 A 7 7 ALA HA H 7 4.350 4.489 -0.139 1
1 51 . 19 1 1 A 8 8 THR H H 8 8.030 7.574 0.456 1
1 52 . 19 1 1 A 8 8 THR HA H 8 4.400 4.709 -0.309 1
1 57 . 19 1 1 A 9 9 VAL H H 9 7.990 8.663 -0.673 1
1 58 . 19 1 1 A 9 9 VAL HA H 9 4.140 4.519 -0.379 1
1 66 . 19 1 1 A 10 10 GLY H H 10 8.340 8.611 -0.271 1
1 67 . 19 1 1 A 10 10 GLY HA2 H 10 3.900 4.088 -0.188 1
1 68 . 19 1 1 A 10 10 GLY HA3 H 10 4.150 4.092 0.058 1
1 69 . 19 1 1 A 11 11 PRO HA H 11 4.430 4.467 -0.037 1
1 76 . 19 1 1 A 12 12 SER H H 12 7.930 8.343 -0.413 1
1 77 . 19 1 1 A 12 12 SER HA H 12 4.440 4.216 0.224 1
1 80 . 19 1 1 A 13 13 VAL H H 13 8.180 7.932 0.248 1
1 81 . 19 1 1 A 13 13 VAL HA H 13 3.770 3.639 0.131 1
1 89 . 19 1 1 A 14 14 TRP H H 14 8.370 8.115 0.255 1
1 90 . 19 1 1 A 14 14 TRP HA H 14 4.530 4.243 0.287 1
1 98 . 19 1 1 A 15 15 ALA H H 15 7.960 8.197 -0.237 1
1 99 . 19 1 1 A 15 15 ALA HA H 15 3.950 3.850 0.100 1
1 103 . 19 1 1 A 16 16 TYR H H 16 7.780 7.580 0.200 1
1 104 . 19 1 1 A 16 16 TYR HA H 16 4.180 4.162 0.018 1
1 111 . 19 1 1 A 17 17 LEU H H 17 8.240 7.847 0.393 1
1 112 . 19 1 1 A 17 17 LEU HA H 17 3.960 4.058 -0.098 1
1 116 . 19 1 1 A 18 18 VAL H H 18 8.370 7.561 0.809 1
1 117 . 19 1 1 A 18 18 VAL HA H 18 3.290 3.392 -0.102 1
1 125 . 19 1 1 A 19 19 ALA H H 19 7.480 7.666 -0.186 1
1 126 . 19 1 1 A 19 19 ALA HA H 19 4.090 3.905 0.185 1
1 130 . 19 1 1 A 20 20 LEU H H 20 7.970 7.687 0.283 1
1 131 . 19 1 1 A 20 20 LEU HA H 20 4.030 3.763 0.267 1
1 141 . 19 1 1 A 21 21 VAL H H 21 8.210 7.841 0.369 1
1 142 . 19 1 1 A 21 21 VAL HA H 21 3.680 3.698 -0.018 1
1 150 . 19 1 1 A 22 22 GLY H H 22 8.110 8.102 0.008 1
1 151 . 19 1 1 A 22 22 GLY HA2 H 22 3.870 3.731 0.139 1
1 152 . 19 1 1 A 22 22 GLY HA3 H 22 3.850 3.752 0.098 1
1 153 . 19 1 1 A 23 23 ALA H H 23 7.760 7.603 0.157 1
1 154 . 19 1 1 A 23 23 ALA HA H 23 4.260 4.039 0.221 1
1 158 . 19 1 1 A 24 24 ALA H H 24 7.960 7.474 0.486 1
1 159 . 19 1 1 A 24 24 ALA HA H 24 4.200 4.173 0.027 1
1 163 . 19 1 1 A 25 25 ALA H H 25 8.190 7.833 0.357 1
1 164 . 19 1 1 A 25 25 ALA HA H 25 4.200 4.139 0.061 1
1 168 . 19 1 1 A 26 26 VAL H H 26 7.700 7.724 -0.024 1
1 169 . 19 1 1 A 26 26 VAL HA H 26 4.020 3.781 0.239 1
1 177 . 19 1 1 A 27 27 THR H H 27 7.870 7.579 0.291 1
1 178 . 19 1 1 A 27 27 THR HA H 27 4.230 4.257 -0.027 1
1 183 . 19 1 1 A 28 28 ALA H H 28 8.060 7.678 0.382 1
1 184 . 19 1 1 A 28 28 ALA HA H 28 4.280 4.334 -0.054 1
1 188 . 19 1 1 A 29 29 ALA H H 29 7.910 8.046 -0.136 1
1 189 . 19 1 1 A 29 29 ALA HA H 29 4.310 4.579 -0.269 1
1 8 . 20 1 1 A 2 2 ALA H H 2 8.530 8.507 0.023 1
1 9 . 20 1 1 A 2 2 ALA HA H 2 4.400 4.672 -0.272 1
1 13 . 20 1 1 A 3 3 ILE H H 3 7.660 7.809 -0.149 1
1 14 . 20 1 1 A 3 3 ILE HA H 3 4.160 3.947 0.213 1
1 24 . 20 1 1 A 4 4 TYR H H 4 7.950 8.216 -0.266 1
1 25 . 20 1 1 A 4 4 TYR HA H 4 4.650 4.895 -0.245 1
1 32 . 20 1 1 A 5 5 ILE H H 5 7.860 7.726 0.134 1
1 33 . 20 1 1 A 5 5 ILE HA H 5 4.100 4.359 -0.259 1
1 43 . 20 1 1 A 6 6 GLY H H 6 7.940 7.901 0.039 1
1 44 . 20 1 1 A 6 6 GLY HA2 H 6 3.820 4.071 -0.251 1
1 45 . 20 1 1 A 6 6 GLY HA3 H 6 3.910 4.087 -0.177 1
1 46 . 20 1 1 A 7 7 ALA H H 7 7.810 7.939 -0.129 1
1 47 . 20 1 1 A 7 7 ALA HA H 7 4.350 4.570 -0.220 1
1 51 . 20 1 1 A 8 8 THR H H 8 8.030 8.043 -0.013 1
1 52 . 20 1 1 A 8 8 THR HA H 8 4.400 4.240 0.160 1
1 57 . 20 1 1 A 9 9 VAL H H 9 7.990 8.514 -0.524 1
1 58 . 20 1 1 A 9 9 VAL HA H 9 4.140 4.371 -0.231 1
1 66 . 20 1 1 A 10 10 GLY H H 10 8.340 7.955 0.385 1
1 67 . 20 1 1 A 10 10 GLY HA2 H 10 3.900 4.005 -0.105 1
1 68 . 20 1 1 A 10 10 GLY HA3 H 10 4.150 4.018 0.132 1
1 69 . 20 1 1 A 11 11 PRO HA H 11 4.430 4.431 -0.001 1
1 76 . 20 1 1 A 12 12 SER H H 12 7.930 8.283 -0.353 1
1 77 . 20 1 1 A 12 12 SER HA H 12 4.440 4.235 0.205 1
1 80 . 20 1 1 A 13 13 VAL H H 13 8.180 7.977 0.203 1
1 81 . 20 1 1 A 13 13 VAL HA H 13 3.770 3.607 0.163 1
1 89 . 20 1 1 A 14 14 TRP H H 14 8.370 8.027 0.343 1
1 90 . 20 1 1 A 14 14 TRP HA H 14 4.530 4.223 0.307 1
1 98 . 20 1 1 A 15 15 ALA H H 15 7.960 8.177 -0.217 1
1 99 . 20 1 1 A 15 15 ALA HA H 15 3.950 3.912 0.038 1
1 103 . 20 1 1 A 16 16 TYR H H 16 7.780 7.653 0.127 1
1 104 . 20 1 1 A 16 16 TYR HA H 16 4.180 4.200 -0.020 1
1 111 . 20 1 1 A 17 17 LEU H H 17 8.240 7.827 0.413 1
1 112 . 20 1 1 A 17 17 LEU HA H 17 3.960 3.962 -0.002 1
1 116 . 20 1 1 A 18 18 VAL H H 18 8.370 7.102 1.268 1
1 117 . 20 1 1 A 18 18 VAL HA H 18 3.290 3.439 -0.149 1
1 125 . 20 1 1 A 19 19 ALA H H 19 7.480 7.868 -0.388 1
1 126 . 20 1 1 A 19 19 ALA HA H 19 4.090 4.012 0.078 1
1 130 . 20 1 1 A 20 20 LEU H H 20 7.970 7.390 0.580 1
1 131 . 20 1 1 A 20 20 LEU HA H 20 4.030 4.046 -0.016 1
1 141 . 20 1 1 A 21 21 VAL H H 21 8.210 7.769 0.441 1
1 142 . 20 1 1 A 21 21 VAL HA H 21 3.680 3.606 0.074 1
1 150 . 20 1 1 A 22 22 GLY H H 22 8.110 8.201 -0.091 1
1 151 . 20 1 1 A 22 22 GLY HA2 H 22 3.870 3.726 0.144 1
1 152 . 20 1 1 A 22 22 GLY HA3 H 22 3.850 3.747 0.103 1
1 153 . 20 1 1 A 23 23 ALA H H 23 7.760 7.939 -0.179 1
1 154 . 20 1 1 A 23 23 ALA HA H 23 4.260 3.936 0.324 1
1 158 . 20 1 1 A 24 24 ALA H H 24 7.960 7.527 0.433 1
1 159 . 20 1 1 A 24 24 ALA HA H 24 4.200 4.145 0.055 1
1 163 . 20 1 1 A 25 25 ALA H H 25 8.190 7.412 0.778 1
1 164 . 20 1 1 A 25 25 ALA HA H 25 4.200 4.153 0.047 1
1 168 . 20 1 1 A 26 26 VAL H H 26 7.700 7.531 0.169 1
1 169 . 20 1 1 A 26 26 VAL HA H 26 4.020 4.249 -0.229 1
1 177 . 20 1 1 A 27 27 THR H H 27 7.870 7.902 -0.032 1
1 178 . 20 1 1 A 27 27 THR HA H 27 4.230 4.958 -0.728 1
1 183 . 20 1 1 A 28 28 ALA H H 28 8.060 7.763 0.297 1
1 184 . 20 1 1 A 28 28 ALA HA H 28 4.280 4.180 0.100 1
1 188 . 20 1 1 A 29 29 ALA H H 29 7.910 7.626 0.284 1
1 189 . 20 1 1 A 29 29 ALA HA H 29 4.310 4.267 0.043 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 0 0.000 1
3 1 1 1 "RMS(OBS, PRED)" CB 0 0.000 1
4 1 1 1 "RMS(OBS, PRED)" H 27 0.425 1
5 1 1 1 "RMS(OBS, PRED)" HA 31 0.184 1
6 1 1 1 "RMS(OBS, PRED)" N 0 0.000 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 0 0.000 1
9 1 2 1 "RMS(OBS, PRED)" CB 0 0.000 1
10 1 2 1 "RMS(OBS, PRED)" H 27 0.453 1
11 1 2 1 "RMS(OBS, PRED)" HA 31 0.148 1
12 1 2 1 "RMS(OBS, PRED)" N 0 0.000 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 0 0.000 1
15 1 3 1 "RMS(OBS, PRED)" CB 0 0.000 1
16 1 3 1 "RMS(OBS, PRED)" H 27 0.460 1
17 1 3 1 "RMS(OBS, PRED)" HA 31 0.183 1
18 1 3 1 "RMS(OBS, PRED)" N 0 0.000 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 0 0.000 1
21 1 4 1 "RMS(OBS, PRED)" CB 0 0.000 1
22 1 4 1 "RMS(OBS, PRED)" H 27 0.447 1
23 1 4 1 "RMS(OBS, PRED)" HA 31 0.213 1
24 1 4 1 "RMS(OBS, PRED)" N 0 0.000 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 0 0.000 1
27 1 5 1 "RMS(OBS, PRED)" CB 0 0.000 1
28 1 5 1 "RMS(OBS, PRED)" H 27 0.372 1
29 1 5 1 "RMS(OBS, PRED)" HA 31 0.197 1
30 1 5 1 "RMS(OBS, PRED)" N 0 0.000 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 0 0.000 1
33 1 6 1 "RMS(OBS, PRED)" CB 0 0.000 1
34 1 6 1 "RMS(OBS, PRED)" H 27 0.390 1
35 1 6 1 "RMS(OBS, PRED)" HA 31 0.237 1
36 1 6 1 "RMS(OBS, PRED)" N 0 0.000 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 0 0.000 1
39 1 7 1 "RMS(OBS, PRED)" CB 0 0.000 1
40 1 7 1 "RMS(OBS, PRED)" H 27 0.361 1
41 1 7 1 "RMS(OBS, PRED)" HA 31 0.205 1
42 1 7 1 "RMS(OBS, PRED)" N 0 0.000 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 0 0.000 1
45 1 8 1 "RMS(OBS, PRED)" CB 0 0.000 1
46 1 8 1 "RMS(OBS, PRED)" H 27 0.404 1
47 1 8 1 "RMS(OBS, PRED)" HA 31 0.194 1
48 1 8 1 "RMS(OBS, PRED)" N 0 0.000 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 0 0.000 1
51 1 9 1 "RMS(OBS, PRED)" CB 0 0.000 1
52 1 9 1 "RMS(OBS, PRED)" H 27 0.378 1
53 1 9 1 "RMS(OBS, PRED)" HA 31 0.190 1
54 1 9 1 "RMS(OBS, PRED)" N 0 0.000 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 0 0.000 1
57 1 10 1 "RMS(OBS, PRED)" CB 0 0.000 1
58 1 10 1 "RMS(OBS, PRED)" H 27 0.355 1
59 1 10 1 "RMS(OBS, PRED)" HA 31 0.196 1
60 1 10 1 "RMS(OBS, PRED)" N 0 0.000 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 0 0.000 1
63 1 11 1 "RMS(OBS, PRED)" CB 0 0.000 1
64 1 11 1 "RMS(OBS, PRED)" H 27 0.429 1
65 1 11 1 "RMS(OBS, PRED)" HA 31 0.182 1
66 1 11 1 "RMS(OBS, PRED)" N 0 0.000 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 0 0.000 1
69 1 12 1 "RMS(OBS, PRED)" CB 0 0.000 1
70 1 12 1 "RMS(OBS, PRED)" H 27 0.364 1
71 1 12 1 "RMS(OBS, PRED)" HA 31 0.196 1
72 1 12 1 "RMS(OBS, PRED)" N 0 0.000 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 0 0.000 1
75 1 13 1 "RMS(OBS, PRED)" CB 0 0.000 1
76 1 13 1 "RMS(OBS, PRED)" H 27 0.410 1
77 1 13 1 "RMS(OBS, PRED)" HA 31 0.160 1
78 1 13 1 "RMS(OBS, PRED)" N 0 0.000 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 0 0.000 1
81 1 14 1 "RMS(OBS, PRED)" CB 0 0.000 1
82 1 14 1 "RMS(OBS, PRED)" H 27 0.491 1
83 1 14 1 "RMS(OBS, PRED)" HA 31 0.189 1
84 1 14 1 "RMS(OBS, PRED)" N 0 0.000 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 0 0.000 1
87 1 15 1 "RMS(OBS, PRED)" CB 0 0.000 1
88 1 15 1 "RMS(OBS, PRED)" H 27 0.423 1
89 1 15 1 "RMS(OBS, PRED)" HA 31 0.239 1
90 1 15 1 "RMS(OBS, PRED)" N 0 0.000 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 0 0.000 1
93 1 16 1 "RMS(OBS, PRED)" CB 0 0.000 1
94 1 16 1 "RMS(OBS, PRED)" H 27 0.465 1
95 1 16 1 "RMS(OBS, PRED)" HA 31 0.146 1
96 1 16 1 "RMS(OBS, PRED)" N 0 0.000 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 0 0.000 1
99 1 17 1 "RMS(OBS, PRED)" CB 0 0.000 1
100 1 17 1 "RMS(OBS, PRED)" H 27 0.397 1
101 1 17 1 "RMS(OBS, PRED)" HA 31 0.197 1
102 1 17 1 "RMS(OBS, PRED)" N 0 0.000 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 0 0.000 1
105 1 18 1 "RMS(OBS, PRED)" CB 0 0.000 1
106 1 18 1 "RMS(OBS, PRED)" H 27 0.377 1
107 1 18 1 "RMS(OBS, PRED)" HA 31 0.178 1
108 1 18 1 "RMS(OBS, PRED)" N 0 0.000 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 0 0.000 1
111 1 19 1 "RMS(OBS, PRED)" CB 0 0.000 1
112 1 19 1 "RMS(OBS, PRED)" H 27 0.341 1
113 1 19 1 "RMS(OBS, PRED)" HA 31 0.200 1
114 1 19 1 "RMS(OBS, PRED)" N 0 0.000 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 0 0.000 1
117 1 20 1 "RMS(OBS, PRED)" CB 0 0.000 1
118 1 20 1 "RMS(OBS, PRED)" H 27 0.411 1
119 1 20 1 "RMS(OBS, PRED)" HA 31 0.218 1
120 1 20 1 "RMS(OBS, PRED)" N 0 0.000 1
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.Conformer_type "average"
_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.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_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.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 8 . 1 1 A 2 2 ALA H H 2 8.530 8.436 0.094 2
1 9 . 1 1 A 2 2 ALA HA H 2 4.400 4.654 -0.254 2
1 13 . 1 1 A 3 3 ILE H H 3 7.660 8.083 -0.423 2
1 14 . 1 1 A 3 3 ILE HA H 3 4.160 3.903 0.257 2
1 24 . 1 1 A 4 4 TYR H H 4 7.950 7.981 -0.031 2
1 25 . 1 1 A 4 4 TYR HA H 4 4.650 4.770 -0.120 2
1 32 . 1 1 A 5 5 ILE H H 5 7.860 7.702 0.158 2
1 33 . 1 1 A 5 5 ILE HA H 5 4.100 4.314 -0.214 2
1 43 . 1 1 A 6 6 GLY H H 6 7.940 7.768 0.172 2
1 44 . 1 1 A 6 6 GLY HA2 H 6 3.820 4.036 -0.216 2
1 45 . 1 1 A 6 6 GLY HA3 H 6 3.910 4.060 -0.150 2
1 46 . 1 1 A 7 7 ALA H H 7 7.810 7.935 -0.125 2
1 47 . 1 1 A 7 7 ALA HA H 7 4.350 4.338 0.012 2
1 51 . 1 1 A 8 8 THR H H 8 8.030 7.776 0.254 2
1 52 . 1 1 A 8 8 THR HA H 8 4.400 4.398 0.002 2
1 57 . 1 1 A 9 9 VAL H H 9 7.990 8.556 -0.566 2
1 58 . 1 1 A 9 9 VAL HA H 9 4.140 4.071 0.069 2
1 66 . 1 1 A 10 10 GLY H H 10 8.340 7.877 0.463 2
1 67 . 1 1 A 10 10 GLY HA2 H 10 3.900 4.085 -0.185 2
1 68 . 1 1 A 10 10 GLY HA3 H 10 4.150 4.099 0.051 2
1 69 . 1 1 A 11 11 PRO HA H 11 4.430 4.408 0.022 2
1 76 . 1 1 A 12 12 SER H H 12 7.930 8.257 -0.326 2
1 77 . 1 1 A 12 12 SER HA H 12 4.440 4.274 0.166 2
1 80 . 1 1 A 13 13 VAL H H 13 8.180 8.091 0.089 2
1 81 . 1 1 A 13 13 VAL HA H 13 3.770 3.708 0.062 2
1 89 . 1 1 A 14 14 TRP H H 14 8.370 8.065 0.305 2
1 90 . 1 1 A 14 14 TRP HA H 14 4.530 4.270 0.260 2
1 98 . 1 1 A 15 15 ALA H H 15 7.960 8.162 -0.202 2
1 99 . 1 1 A 15 15 ALA HA H 15 3.950 3.866 0.084 2
1 103 . 1 1 A 16 16 TYR H H 16 7.780 7.719 0.061 2
1 104 . 1 1 A 16 16 TYR HA H 16 4.180 4.205 -0.025 2
1 111 . 1 1 A 17 17 LEU H H 17 8.240 7.817 0.423 2
1 112 . 1 1 A 17 17 LEU HA H 17 3.960 3.995 -0.035 2
1 116 . 1 1 A 18 18 VAL H H 18 8.370 7.454 0.916 2
1 117 . 1 1 A 18 18 VAL HA H 18 3.290 3.374 -0.084 2
1 125 . 1 1 A 19 19 ALA H H 19 7.480 7.774 -0.294 2
1 126 . 1 1 A 19 19 ALA HA H 19 4.090 3.954 0.136 2
1 130 . 1 1 A 20 20 LEU H H 20 7.970 7.684 0.286 2
1 131 . 1 1 A 20 20 LEU HA H 20 4.030 3.895 0.135 2
1 141 . 1 1 A 21 21 VAL H H 21 8.210 7.826 0.384 2
1 142 . 1 1 A 21 21 VAL HA H 21 3.680 3.708 -0.028 2
1 150 . 1 1 A 22 22 GLY H H 22 8.110 8.007 0.103 2
1 151 . 1 1 A 22 22 GLY HA2 H 22 3.870 3.765 0.105 2
1 152 . 1 1 A 22 22 GLY HA3 H 22 3.850 3.779 0.071 2
1 153 . 1 1 A 23 23 ALA H H 23 7.760 7.706 0.054 2
1 154 . 1 1 A 23 23 ALA HA H 23 4.260 4.011 0.249 2
1 158 . 1 1 A 24 24 ALA H H 24 7.960 7.697 0.263 2
1 159 . 1 1 A 24 24 ALA HA H 24 4.200 4.164 0.036 2
1 163 . 1 1 A 25 25 ALA H H 25 8.190 7.704 0.486 2
1 164 . 1 1 A 25 25 ALA HA H 25 4.200 4.138 0.062 2
1 168 . 1 1 A 26 26 VAL H H 26 7.700 7.538 0.162 2
1 169 . 1 1 A 26 26 VAL HA H 26 4.020 4.050 -0.030 2
1 177 . 1 1 A 27 27 THR H H 27 7.870 7.718 0.152 2
1 178 . 1 1 A 27 27 THR HA H 27 4.230 4.370 -0.140 2
1 183 . 1 1 A 28 28 ALA H H 28 8.060 7.467 0.593 2
1 184 . 1 1 A 28 28 ALA HA H 28 4.280 4.271 0.009 2
1 188 . 1 1 A 29 29 ALA H H 29 7.910 7.616 0.294 2
1 189 . 1 1 A 29 29 ALA HA H 29 4.310 4.379 -0.069 2
stop_
save_