data_nef_c16901_2k6t save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2h8b stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 10 CYS SG 1 15 CYS SG 1 11 CYS SG 2 10 CYS SG 1 24 CYS SG 2 22 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 106 ALA start . . 2 A 107 ALA middle . . 3 A 108 ALA middle . . 4 A 109 THR middle . . 5 A 110 ASN middle . . 6 A 111 PRO middle . false 7 A 112 ALA middle . . 8 A 113 ARG middle . . 9 A 114 TYR middle . . 10 A 115 CYS middle -HG . 11 A 116 CYS middle -HG . 12 A 117 LEU middle . . 13 A 118 SER middle . . 14 A 119 GLY middle . false 15 A 120 CYS middle -HG . 16 A 121 THR middle . . 17 A 122 GLN middle . . 18 A 123 GLN middle . . 19 A 124 ASP middle . . 20 A 125 LEU middle . . 21 A 126 LEU middle . . 22 A 127 THR middle . . 23 A 128 LEU middle . . 24 A 129 CYS middle -HG . 25 A 130 PRO middle . false 26 A 131 TYR end . . 27 B 25 PRO start . false 28 B 26 THR middle . . 29 B 27 PRO middle . false 30 B 28 GLU middle . . 31 B 29 MET middle . . 32 B 30 ARG middle . . 33 B 31 GLU middle . . 34 B 32 LYS middle . . 35 B 33 LEU middle . . 36 B 34 CYS middle -HG . 37 B 35 GLY middle . false 38 B 36 HIS middle . . 39 B 37 HIS middle . . 40 B 38 PHE middle . . 41 B 39 VAL middle . . 42 B 40 ARG middle . . 43 B 41 ALA middle . . 44 B 42 LEU middle . . 45 B 43 VAL middle . . 46 B 44 ARG middle . . 47 B 45 VAL middle . . 48 B 46 CYS middle -HG . 49 B 47 GLY middle . false 50 B 48 GLY middle . false 51 B 49 PRO middle . false 52 B 50 ARG middle . . 53 B 51 TRP middle . . 54 B 52 SER middle . . 55 B 53 THR middle . . 56 B 54 GLU middle . . 57 B 55 ALA end . . stop_ save_ save_1H-1H_H2O_noesy_308K _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode 1H-1H_H2O_noesy_308K loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 106 ALA HA H 1 4.006 0.000 A 106 ALA HB% H 1 1.461 0.000 A 107 ALA H H 1 8.457 0.003 A 107 ALA HA H 1 4.215 0.000 A 107 ALA HB% H 1 1.299 0.000 A 108 ALA H H 1 8.257 0.000 A 108 ALA HA H 1 4.256 0.001 A 108 ALA HB% H 1 1.278 0.004 A 109 THR H H 1 7.971 0.002 A 109 THR HA H 1 4.220 0.001 A 109 THR HB H 1 4.111 0.001 A 109 THR HG2% H 1 1.135 0.003 A 110 ASN H H 1 8.294 0.001 A 110 ASN HA H 1 4.900 0.000 A 110 ASN HBy H 1 2.883 0.001 A 110 ASN HBx H 1 2.750 0.000 A 110 ASN HD2y H 1 7.655 0.002 A 110 ASN HD2x H 1 6.937 0.003 A 111 PRO HA H 1 4.090 0.002 A 111 PRO HBy H 1 2.297 0.001 A 111 PRO HBx H 1 1.849 0.006 A 111 PRO HDy H 1 3.793 0.000 A 111 PRO HDx H 1 3.783 0.000 A 111 PRO HGx H 1 1.971 0.000 A 111 PRO HGy H 1 1.972 0.000 A 112 ALA H H 1 7.883 0.000 A 112 ALA HB% H 1 1.035 0.003 A 113 ARG H H 1 7.420 0.002 A 113 ARG HA H 1 3.875 0.003 A 113 ARG HBy H 1 1.672 0.002 A 113 ARG HBx H 1 1.482 0.000 A 113 ARG HDx H 1 3.101 0.000 A 113 ARG HDy H 1 3.101 0.000 A 113 ARG HE H 1 6.954 0.000 A 113 ARG HGy H 1 1.423 0.000 A 113 ARG HGx H 1 1.420 0.000 A 114 TYR H H 1 8.002 0.001 A 114 TYR HA H 1 4.210 0.003 A 114 TYR HBx H 1 3.028 0.000 A 114 TYR HBy H 1 3.029 0.000 A 114 TYR HDx H 1 6.951 0.001 A 114 TYR HDy H 1 6.951 0.001 A 114 TYR HEx H 1 6.773 0.002 A 114 TYR HEy H 1 6.773 0.002 A 115 CYS H H 1 8.564 0.003 A 115 CYS HA H 1 4.407 0.000 A 115 CYS HBy H 1 3.212 0.003 A 115 CYS HBx H 1 2.827 0.004 A 116 CYS H H 1 7.579 0.006 A 116 CYS HA H 1 4.389 0.000 A 116 CYS HBy H 1 3.505 0.001 A 116 CYS HBx H 1 2.760 0.000 A 117 LEU H H 1 8.066 0.001 A 117 LEU HA H 1 4.127 0.000 A 117 LEU HBy H 1 1.642 0.003 A 117 LEU HBx H 1 1.444 0.000 A 117 LEU HDx% H 1 0.794 0.000 A 117 LEU HDy% H 1 0.795 0.000 A 117 LEU HG H 1 1.640 0.000 A 118 SER H H 1 8.118 0.001 A 118 SER HA H 1 4.468 0.002 A 118 SER HBy H 1 3.520 0.001 A 118 SER HBx H 1 3.114 0.000 A 119 GLY H H 1 7.146 0.005 A 119 GLY HAy H 1 4.215 0.001 A 119 GLY HAx H 1 3.898 0.003 A 120 CYS H H 1 8.844 0.003 A 120 CYS HA H 1 5.178 0.001 A 120 CYS HBy H 1 3.693 0.000 A 120 CYS HBx H 1 2.571 0.000 A 121 THR H H 1 9.666 0.002 A 121 THR HA H 1 4.858 0.002 A 121 THR HB H 1 4.737 0.001 A 121 THR HG2% H 1 1.125 0.002 A 122 GLN H H 1 8.984 0.001 A 122 GLN HA H 1 3.926 0.005 A 122 GLN HBy H 1 2.132 0.001 A 122 GLN HBx H 1 2.068 0.000 A 122 GLN HE2y H 1 7.435 0.001 A 122 GLN HE2x H 1 6.674 0.002 A 122 GLN HGy H 1 2.397 0.002 A 122 GLN HGx H 1 2.298 0.002 A 123 GLN H H 1 8.156 0.001 A 123 GLN HA H 1 3.929 0.001 A 123 GLN HBy H 1 2.049 0.001 A 123 GLN HBx H 1 1.966 0.000 A 123 GLN HE2y H 1 7.498 0.000 A 123 GLN HE2x H 1 6.777 0.002 A 123 GLN HGy H 1 2.418 0.003 A 123 GLN HGx H 1 2.363 0.002 A 124 ASP H H 1 7.733 0.002 A 124 ASP HA H 1 4.328 0.000 A 124 ASP HBy H 1 3.186 0.003 A 124 ASP HBx H 1 2.784 0.004 A 125 LEU H H 1 7.623 0.001 A 125 LEU HA H 1 3.950 0.001 A 125 LEU HBy H 1 2.008 0.002 A 125 LEU HBx H 1 1.216 0.005 A 125 LEU HDx% H 1 0.769 0.000 A 125 LEU HDy% H 1 0.708 0.002 A 125 LEU HG H 1 1.836 0.000 A 126 LEU H H 1 7.907 0.002 A 126 LEU HA H 1 4.187 0.002 A 126 LEU HBy H 1 1.728 0.003 A 126 LEU HBx H 1 1.526 0.003 A 126 LEU HDx% H 1 0.846 0.000 A 126 LEU HDy% H 1 0.847 0.000 A 126 LEU HG H 1 1.631 0.000 A 127 THR H H 1 7.436 0.001 A 127 THR HA H 1 4.114 0.001 A 127 THR HB H 1 4.315 0.000 A 127 THR HG2% H 1 1.369 0.002 A 128 LEU H H 1 7.749 0.001 A 128 LEU HA H 1 4.369 0.002 A 128 LEU HBy H 1 2.105 0.001 A 128 LEU HBx H 1 1.614 0.001 A 128 LEU HDx% H 1 1.030 0.003 A 128 LEU HDy% H 1 0.848 0.004 A 128 LEU HG H 1 1.902 0.002 A 129 CYS H H 1 7.280 0.002 A 129 CYS HA H 1 4.708 0.000 A 129 CYS HBy H 1 2.982 0.000 A 129 CYS HBx H 1 2.782 0.000 A 130 PRO HA H 1 4.355 0.003 A 130 PRO HBy H 1 1.989 0.000 A 130 PRO HBx H 1 1.836 0.000 A 130 PRO HDy H 1 3.505 0.000 A 130 PRO HDx H 1 3.340 0.000 A 130 PRO HGx H 1 1.643 0.000 A 130 PRO HGy H 1 1.643 0.000 A 131 TYR H H 1 7.495 0.001 A 131 TYR HA H 1 4.306 0.002 A 131 TYR HBy H 1 2.988 0.002 A 131 TYR HBx H 1 2.836 0.002 A 131 TYR HDx H 1 6.992 0.002 A 131 TYR HDy H 1 6.992 0.002 A 131 TYR HEx H 1 6.712 0.000 A 131 TYR HEy H 1 6.712 0.000 B 25 PRO HA H 1 4.429 0.000 B 26 THR H H 1 8.560 0.000 B 26 THR HA H 1 4.615 0.000 B 26 THR HB H 1 4.165 0.000 B 26 THR HG2% H 1 1.240 0.000 B 27 PRO HA H 1 4.379 0.000 B 27 PRO HBy H 1 2.272 0.000 B 27 PRO HBx H 1 1.871 0.000 B 27 PRO HDy H 1 3.811 0.000 B 27 PRO HDx H 1 3.703 0.000 B 28 GLU H H 1 8.396 0.001 B 28 GLU HA H 1 4.251 0.000 B 28 GLU HBy H 1 2.014 0.002 B 28 GLU HBx H 1 1.915 0.003 B 28 GLU HGy H 1 2.291 0.001 B 28 GLU HGx H 1 2.261 0.000 B 29 MET H H 1 8.308 0.001 B 29 MET HA H 1 4.388 0.003 B 29 MET HBy H 1 2.014 0.001 B 29 MET HBx H 1 1.982 0.002 B 29 MET HGy H 1 2.532 0.000 B 29 MET HGx H 1 2.480 0.001 B 30 ARG H H 1 8.381 0.002 B 30 ARG HA H 1 3.991 0.002 B 30 ARG HBy H 1 1.542 0.000 B 30 ARG HBx H 1 1.462 0.000 B 30 ARG HDy H 1 3.075 0.003 B 30 ARG HDx H 1 3.032 0.003 B 30 ARG HE H 1 7.083 0.002 B 30 ARG HGy H 1 1.352 0.000 B 30 ARG HGx H 1 1.255 0.002 B 31 GLU H H 1 8.014 0.004 B 31 GLU HA H 1 4.491 0.001 B 31 GLU HBy H 1 1.872 0.003 B 31 GLU HBx H 1 1.816 0.000 B 31 GLU HGy H 1 2.181 0.000 B 31 GLU HGx H 1 2.094 0.000 B 32 LYS H H 1 8.663 0.002 B 32 LYS HA H 1 4.557 0.002 B 32 LYS HBy H 1 1.911 0.001 B 32 LYS HBx H 1 1.708 0.000 B 32 LYS HDy H 1 1.579 0.000 B 32 LYS HDx H 1 1.568 0.000 B 32 LYS HEx H 1 2.830 0.000 B 32 LYS HEy H 1 2.833 0.000 B 32 LYS HGy H 1 1.408 0.000 B 32 LYS HGx H 1 1.003 0.000 B 33 LEU H H 1 7.889 0.004 B 33 LEU HA H 1 4.468 0.002 B 33 LEU HBy H 1 1.804 0.001 B 33 LEU HBx H 1 0.904 0.003 B 33 LEU HDx% H 1 0.902 0.000 B 33 LEU HDy% H 1 0.648 0.001 B 33 LEU HG H 1 1.559 0.002 B 34 CYS H H 1 8.522 0.001 B 34 CYS HA H 1 4.922 0.002 B 34 CYS HBy H 1 3.222 0.005 B 34 CYS HBx H 1 2.961 0.001 B 35 GLY H H 1 9.106 0.001 B 35 GLY HAy H 1 3.953 0.002 B 35 GLY HAx H 1 3.744 0.004 B 36 HIS H H 1 7.891 0.003 B 36 HIS HA H 1 4.319 0.002 B 36 HIS HBx H 1 3.076 0.000 B 36 HIS HBy H 1 3.076 0.000 B 36 HIS HD2 H 1 6.965 0.007 B 36 HIS HE1 H 1 8.074 0.000 B 37 HIS H H 1 7.954 0.001 B 37 HIS HA H 1 4.257 0.002 B 37 HIS HBy H 1 3.449 0.001 B 37 HIS HBx H 1 3.204 0.003 B 37 HIS HD2 H 1 7.220 0.002 B 37 HIS HE1 H 1 8.258 0.001 B 38 PHE H H 1 7.076 0.002 B 38 PHE HA H 1 4.049 0.002 B 38 PHE HBy H 1 3.077 0.006 B 38 PHE HBx H 1 2.918 0.003 B 38 PHE HDx H 1 6.973 0.001 B 38 PHE HDy H 1 6.973 0.001 B 38 PHE HEx H 1 7.137 0.000 B 38 PHE HEy H 1 7.137 0.000 B 39 VAL H H 1 7.133 0.004 B 39 VAL HA H 1 3.114 0.003 B 39 VAL HB H 1 1.989 0.005 B 39 VAL HGx% H 1 1.034 0.002 B 39 VAL HGy% H 1 0.808 0.001 B 40 ARG H H 1 7.871 0.001 B 40 ARG HA H 1 3.751 0.002 B 40 ARG HBx H 1 1.729 0.002 B 40 ARG HBy H 1 1.734 0.000 B 40 ARG HDy H 1 3.066 0.000 B 40 ARG HDx H 1 3.045 0.000 B 40 ARG HE H 1 6.952 0.000 B 40 ARG HGy H 1 1.634 0.001 B 40 ARG HGx H 1 1.466 0.000 B 41 ALA H H 1 7.411 0.002 B 41 ALA HA H 1 3.973 0.003 B 41 ALA HB% H 1 1.348 0.004 B 42 LEU H H 1 7.890 0.002 B 42 LEU HA H 1 3.716 0.003 B 42 LEU HBy H 1 1.379 0.003 B 42 LEU HBx H 1 0.939 0.000 B 42 LEU HDx% H 1 0.644 0.005 B 42 LEU HDy% H 1 0.642 0.005 B 42 LEU HG H 1 1.209 0.000 B 43 VAL H H 1 8.032 0.001 B 43 VAL HA H 1 3.307 0.002 B 43 VAL HB H 1 1.968 0.004 B 43 VAL HGx% H 1 0.835 0.003 B 43 VAL HGy% H 1 0.722 0.001 B 44 ARG H H 1 7.487 0.002 B 44 ARG HA H 1 3.936 0.002 B 44 ARG HBy H 1 1.926 0.005 B 44 ARG HBx H 1 1.821 0.000 B 44 ARG HDy H 1 3.191 0.001 B 44 ARG HDx H 1 3.094 0.002 B 44 ARG HE H 1 7.217 0.002 B 44 ARG HGy H 1 1.624 0.001 B 44 ARG HGx H 1 1.479 0.001 B 45 VAL H H 1 8.053 0.001 B 45 VAL HA H 1 3.849 0.001 B 45 VAL HB H 1 2.004 0.001 B 45 VAL HGx% H 1 1.032 0.002 B 45 VAL HGy% H 1 0.895 0.001 B 46 CYS H H 1 8.458 0.002 B 46 CYS HA H 1 4.699 0.001 B 46 CYS HBy H 1 3.054 0.002 B 46 CYS HBx H 1 2.703 0.003 B 47 GLY H H 1 7.825 0.000 B 47 GLY HAy H 1 3.934 0.004 B 47 GLY HAx H 1 3.858 0.004 B 48 GLY H H 1 7.834 0.002 B 48 GLY HAy H 1 4.072 0.000 B 48 GLY HAx H 1 3.970 0.000 B 49 PRO HA H 1 4.266 0.003 B 49 PRO HBy H 1 2.053 0.000 B 49 PRO HBx H 1 1.644 0.000 B 49 PRO HDy H 1 3.548 0.001 B 49 PRO HDx H 1 3.478 0.001 B 49 PRO HGy H 1 1.872 0.000 B 49 PRO HGx H 1 1.841 0.000 B 50 ARG H H 1 8.170 0.001 B 50 ARG HA H 1 4.150 0.000 B 50 ARG HBy H 1 1.627 0.002 B 50 ARG HBx H 1 1.555 0.002 B 50 ARG HDx H 1 2.994 0.000 B 50 ARG HDy H 1 2.994 0.000 B 50 ARG HE H 1 7.062 0.002 B 50 ARG HGx H 1 1.363 0.000 B 50 ARG HGy H 1 1.363 0.000 B 51 TRP H H 1 7.718 0.003 B 51 TRP HA H 1 4.593 0.001 B 51 TRP HBy H 1 3.244 0.002 B 51 TRP HBx H 1 3.129 0.004 B 51 TRP HD1 H 1 7.166 0.002 B 51 TRP HE1 H 1 10.061 0.001 B 51 TRP HE3 H 1 7.466 0.001 B 51 TRP HH2 H 1 7.033 0.001 B 51 TRP HZ2 H 1 7.325 0.002 B 51 TRP HZ3 H 1 6.961 0.005 B 52 SER H H 1 7.894 0.002 B 52 SER HA H 1 4.345 0.003 B 52 SER HBy H 1 3.750 0.001 B 52 SER HBx H 1 3.591 0.001 B 53 THR H H 1 7.938 0.001 B 53 THR HA H 1 4.277 0.000 B 53 THR HB H 1 4.229 0.003 B 53 THR HG2% H 1 1.125 0.001 B 54 GLU H H 1 8.115 0.001 B 54 GLU HA H 1 4.265 0.000 B 54 GLU HBy H 1 2.032 0.001 B 54 GLU HBx H 1 1.848 0.003 B 54 GLU HGx H 1 2.230 0.001 B 55 ALA H H 1 7.833 0.001 B 55 ALA HA H 1 4.050 0.000 B 55 ALA HB% H 1 1.265 0.000 stop_ save_ save_1H-1H_D2O_noesy_308K _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode 1H-1H_D2O_noesy_308K loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 106 ALA HA H 1 4.004 0.000 A 106 ALA HB% H 1 1.461 0.000 A 107 ALA H H 1 8.436 0.000 A 107 ALA HA H 1 4.217 0.000 A 107 ALA HB% H 1 1.297 0.000 A 108 ALA H H 1 8.245 0.000 A 108 ALA HA H 1 4.257 0.000 A 108 ALA HB% H 1 1.277 0.000 A 109 THR H H 1 7.952 0.000 A 109 THR HA H 1 4.225 0.002 A 109 THR HB H 1 4.109 0.003 A 109 THR HG2% H 1 1.138 0.001 A 110 ASN H H 1 8.331 0.000 A 110 ASN HA H 1 4.908 0.001 A 110 ASN HBy H 1 2.878 0.002 A 110 ASN HBx H 1 2.752 0.002 A 110 ASN HD2x H 1 6.874 0.000 A 110 ASN HD2y H 1 7.630 0.000 A 111 PRO HA H 1 4.097 0.002 A 111 PRO HBy H 1 2.297 0.001 A 111 PRO HBx H 1 1.853 0.000 A 111 PRO HDx H 1 3.791 0.000 A 111 PRO HDy H 1 3.791 0.000 A 111 PRO HGy H 1 1.980 0.000 A 111 PRO HGx H 1 1.979 0.000 A 112 ALA H H 1 7.813 0.000 A 112 ALA HB% H 1 1.041 0.000 A 113 ARG H H 1 7.451 0.000 A 113 ARG HA H 1 3.868 0.002 A 113 ARG HBy H 1 1.675 0.001 A 113 ARG HBx H 1 1.483 0.000 A 113 ARG HDx H 1 3.091 0.000 A 113 ARG HE H 1 6.874 0.000 A 113 ARG HGy H 1 1.423 0.000 A 113 ARG HGx H 1 1.420 0.000 A 114 TYR H H 1 8.001 0.000 A 114 TYR HA H 1 4.226 0.001 A 114 TYR HBx H 1 3.030 0.000 A 114 TYR HBy H 1 3.030 0.000 A 114 TYR HDx H 1 6.954 0.000 A 114 TYR HDy H 1 6.954 0.000 A 114 TYR HEx H 1 6.781 0.000 A 114 TYR HEy H 1 6.781 0.000 A 115 CYS H H 1 8.655 0.000 A 115 CYS HA H 1 4.407 0.000 A 115 CYS HBy H 1 3.224 0.002 A 115 CYS HBx H 1 2.832 0.002 A 116 CYS H H 1 7.488 0.000 A 116 CYS HA H 1 4.397 0.000 A 116 CYS HBy H 1 3.506 0.003 A 116 CYS HBx H 1 2.768 0.003 A 117 LEU H H 1 8.051 0.000 A 117 LEU HA H 1 4.125 0.002 A 117 LEU HBy H 1 1.643 0.005 A 117 LEU HBx H 1 1.459 0.004 A 117 LEU HDx% H 1 0.804 0.000 A 117 LEU HDy% H 1 0.788 0.000 A 117 LEU HG H 1 1.643 0.002 A 118 SER H H 1 8.110 0.000 A 118 SER HA H 1 4.476 0.001 A 118 SER HBy H 1 3.526 0.000 A 118 SER HBx H 1 3.150 0.000 A 119 GLY H H 1 7.117 0.000 A 119 GLY HAy H 1 4.230 0.002 A 119 GLY HAx H 1 3.909 0.002 A 120 CYS H H 1 8.793 0.000 A 120 CYS HA H 1 5.185 0.001 A 120 CYS HBy H 1 3.712 0.001 A 120 CYS HBx H 1 2.584 0.000 A 121 THR H H 1 9.692 0.000 A 121 THR HA H 1 4.869 0.001 A 121 THR HB H 1 4.731 0.003 A 121 THR HG2% H 1 1.127 0.002 A 122 GLN H H 1 8.990 0.000 A 122 GLN HA H 1 3.920 0.002 A 122 GLN HBy H 1 2.133 0.005 A 122 GLN HBx H 1 2.079 0.000 A 122 GLN HE2y H 1 7.420 0.000 A 122 GLN HE2x H 1 6.675 0.000 A 122 GLN HGy H 1 2.396 0.001 A 122 GLN HGx H 1 2.297 0.000 A 123 GLN H H 1 8.151 0.000 A 123 GLN HA H 1 3.929 0.002 A 123 GLN HBy H 1 2.053 0.001 A 123 GLN HBx H 1 1.966 0.005 A 123 GLN HE2y H 1 7.500 0.000 A 123 GLN HE2x H 1 6.789 0.000 A 123 GLN HGy H 1 2.411 0.001 A 123 GLN HGx H 1 2.364 0.002 A 124 ASP H H 1 7.740 0.000 A 124 ASP HA H 1 4.333 0.001 A 124 ASP HBy H 1 3.195 0.001 A 124 ASP HBx H 1 2.785 0.004 A 125 LEU H H 1 7.668 0.000 A 125 LEU HA H 1 3.959 0.002 A 125 LEU HBy H 1 2.015 0.002 A 125 LEU HBx H 1 1.226 0.003 A 125 LEU HDx% H 1 0.768 0.001 A 125 LEU HDy% H 1 0.710 0.001 A 125 LEU HG H 1 1.834 0.003 A 126 LEU H H 1 7.911 0.000 A 126 LEU HA H 1 4.184 0.002 A 126 LEU HBy H 1 1.734 0.001 A 126 LEU HBx H 1 1.528 0.001 A 126 LEU HDx% H 1 0.835 0.000 A 126 LEU HDy% H 1 0.835 0.000 A 126 LEU HG H 1 1.633 0.000 A 127 THR H H 1 7.464 0.000 A 127 THR HA H 1 4.104 0.001 A 127 THR HB H 1 4.315 0.000 A 127 THR HG2% H 1 1.373 0.000 A 128 LEU H H 1 7.763 0.000 A 128 LEU HA H 1 4.369 0.001 A 128 LEU HBy H 1 2.117 0.002 A 128 LEU HBx H 1 1.618 0.000 A 128 LEU HDx% H 1 1.040 0.002 A 128 LEU HDy% H 1 0.860 0.006 A 128 LEU HG H 1 1.904 0.002 A 129 CYS H H 1 7.367 0.000 A 129 CYS HA H 1 4.717 0.000 A 129 CYS HBy H 1 2.968 0.003 A 129 CYS HBx H 1 2.792 0.000 A 130 PRO HA H 1 4.344 0.001 A 130 PRO HBy H 1 1.989 0.002 A 130 PRO HBx H 1 1.829 0.000 A 130 PRO HDy H 1 3.505 0.000 A 130 PRO HDx H 1 3.324 0.003 A 130 PRO HGx H 1 1.642 0.002 A 130 PRO HGy H 1 1.646 0.000 A 131 TYR H H 1 7.462 0.000 A 131 TYR HA H 1 4.299 0.000 A 131 TYR HBy H 1 2.984 0.001 A 131 TYR HBx H 1 2.828 0.001 A 131 TYR HDx H 1 6.984 0.000 A 131 TYR HDy H 1 6.984 0.000 A 131 TYR HEx H 1 6.704 0.000 A 131 TYR HEy H 1 6.704 0.000 B 26 THR H H 1 8.558 0.000 B 26 THR HA H 1 4.615 0.000 B 26 THR HB H 1 4.165 0.000 B 26 THR HG2% H 1 1.240 0.001 B 27 PRO HA H 1 4.380 0.001 B 27 PRO HBy H 1 2.272 0.003 B 27 PRO HBx H 1 1.871 0.003 B 27 PRO HDy H 1 3.811 0.003 B 27 PRO HDx H 1 3.707 0.002 B 28 GLU H H 1 8.397 0.000 B 28 GLU HA H 1 4.252 0.002 B 28 GLU HBy H 1 2.020 0.004 B 28 GLU HBx H 1 1.917 0.002 B 28 GLU HGy H 1 2.293 0.001 B 28 GLU HGx H 1 2.256 0.000 B 29 MET H H 1 8.325 0.000 B 29 MET HA H 1 4.391 0.001 B 29 MET HBy H 1 2.009 0.000 B 29 MET HBx H 1 1.975 0.000 B 29 MET HGy H 1 2.536 0.000 B 29 MET HGx H 1 2.481 0.000 B 30 ARG H H 1 8.382 0.000 B 30 ARG HA H 1 3.999 0.001 B 30 ARG HBy H 1 1.547 0.002 B 30 ARG HBx H 1 1.467 0.002 B 30 ARG HDy H 1 3.075 0.003 B 30 ARG HDx H 1 3.030 0.001 B 30 ARG HE H 1 7.075 0.000 B 30 ARG HGy H 1 1.356 0.001 B 30 ARG HGx H 1 1.263 0.002 B 31 GLU H H 1 7.982 0.000 B 31 GLU HA H 1 4.496 0.001 B 31 GLU HBy H 1 1.875 0.003 B 31 GLU HBx H 1 1.821 0.001 B 31 GLU HGy H 1 2.186 0.001 B 31 GLU HGx H 1 2.106 0.005 B 32 LYS H H 1 8.663 0.000 B 32 LYS HA H 1 4.566 0.002 B 32 LYS HBy H 1 1.916 0.001 B 32 LYS HBx H 1 1.712 0.001 B 32 LYS HDy H 1 1.573 0.000 B 32 LYS HDx H 1 1.553 0.000 B 32 LYS HEx H 1 2.830 0.001 B 32 LYS HEy H 1 2.833 0.000 B 32 LYS HGy H 1 1.418 0.002 B 32 LYS HGx H 1 1.015 0.001 B 33 LEU H H 1 7.904 0.000 B 33 LEU HA H 1 4.457 0.002 B 33 LEU HBy H 1 1.816 0.003 B 33 LEU HBx H 1 0.909 0.002 B 33 LEU HDx% H 1 0.906 0.003 B 33 LEU HDy% H 1 0.648 0.003 B 33 LEU HG H 1 1.566 0.002 B 34 CYS H H 1 8.596 0.000 B 34 CYS HA H 1 4.927 0.001 B 34 CYS HBy H 1 3.235 0.002 B 34 CYS HBx H 1 2.958 0.000 B 35 GLY H H 1 9.018 0.000 B 35 GLY HAy H 1 3.945 0.000 B 35 GLY HAx H 1 3.719 0.000 B 36 HIS H H 1 7.822 0.000 B 36 HIS HA H 1 4.305 0.001 B 36 HIS HBx H 1 3.072 0.000 B 36 HIS HBy H 1 3.074 0.000 B 36 HIS HD2 H 1 6.998 0.000 B 36 HIS HE1 H 1 8.111 0.000 B 37 HIS H H 1 7.927 0.000 B 37 HIS HA H 1 4.260 0.001 B 37 HIS HBy H 1 3.466 0.002 B 37 HIS HBx H 1 3.215 0.001 B 37 HIS HD2 H 1 7.220 0.000 B 37 HIS HE1 H 1 8.227 0.000 B 38 PHE H H 1 7.050 0.000 B 38 PHE HA H 1 4.045 0.002 B 38 PHE HBy H 1 3.086 0.006 B 38 PHE HBx H 1 2.918 0.002 B 38 PHE HDx H 1 6.966 0.000 B 38 PHE HDy H 1 6.966 0.000 B 38 PHE HEx H 1 7.140 0.000 B 38 PHE HEy H 1 7.140 0.000 B 39 VAL H H 1 6.992 0.000 B 39 VAL HA H 1 3.104 0.001 B 39 VAL HB H 1 2.004 0.002 B 39 VAL HGx% H 1 1.031 0.000 B 39 VAL HGy% H 1 0.801 0.000 B 40 ARG H H 1 7.821 0.000 B 40 ARG HA H 1 3.744 0.002 B 40 ARG HBx H 1 1.733 0.000 B 40 ARG HBy H 1 1.733 0.000 B 40 ARG HDy H 1 3.059 0.001 B 40 ARG HDx H 1 3.032 0.002 B 40 ARG HGy H 1 1.636 0.003 B 40 ARG HGx H 1 1.463 0.000 B 41 ALA H H 1 7.418 0.000 B 41 ALA HA H 1 3.973 0.002 B 41 ALA HB% H 1 1.345 0.001 B 42 LEU H H 1 7.764 0.000 B 42 LEU HA H 1 3.711 0.001 B 42 LEU HBy H 1 1.398 0.001 B 42 LEU HBx H 1 0.935 0.004 B 42 LEU HDx% H 1 0.654 0.000 B 42 LEU HDy% H 1 0.657 0.001 B 42 LEU HG H 1 1.215 0.002 B 43 VAL H H 1 7.954 0.000 B 43 VAL HA H 1 3.288 0.002 B 43 VAL HB H 1 1.967 0.001 B 43 VAL HGx% H 1 0.829 0.001 B 43 VAL HGy% H 1 0.712 0.002 B 44 ARG H H 1 7.425 0.000 B 44 ARG HA H 1 3.933 0.001 B 44 ARG HBy H 1 1.927 0.002 B 44 ARG HBx H 1 1.826 0.001 B 44 ARG HDy H 1 3.168 0.002 B 44 ARG HDx H 1 3.094 0.003 B 44 ARG HE H 1 7.187 0.000 B 44 ARG HGy H 1 1.624 0.003 B 44 ARG HGx H 1 1.482 0.002 B 45 VAL H H 1 8.065 0.000 B 45 VAL HA H 1 3.846 0.001 B 45 VAL HB H 1 2.012 0.002 B 45 VAL HGx% H 1 1.037 0.001 B 45 VAL HGy% H 1 0.903 0.001 B 46 CYS H H 1 8.488 0.000 B 46 CYS HA H 1 4.714 0.002 B 46 CYS HBy H 1 3.048 0.003 B 46 CYS HBx H 1 2.686 0.001 B 47 GLY H H 1 7.747 0.000 B 47 GLY HAy H 1 3.909 0.000 B 47 GLY HAx H 1 3.836 0.000 B 48 GLY H H 1 7.988 0.000 B 48 GLY HAy H 1 4.089 0.001 B 48 GLY HAx H 1 3.944 0.001 B 49 PRO HA H 1 4.269 0.002 B 49 PRO HBy H 1 2.064 0.003 B 49 PRO HBx H 1 1.652 0.001 B 49 PRO HDy H 1 3.559 0.001 B 49 PRO HDx H 1 3.478 0.003 B 49 PRO HGy H 1 1.872 0.001 B 49 PRO HGx H 1 1.845 0.001 B 50 ARG HA H 1 4.150 0.001 B 50 ARG HBy H 1 1.629 0.001 B 50 ARG HBx H 1 1.560 0.002 B 50 ARG HDx H 1 2.994 0.000 B 50 ARG HDy H 1 2.994 0.000 B 50 ARG HGx H 1 1.357 0.001 B 51 TRP H H 1 7.583 0.000 B 51 TRP HA H 1 4.573 0.002 B 51 TRP HBy H 1 3.245 0.002 B 51 TRP HBx H 1 3.131 0.001 B 51 TRP HD1 H 1 7.165 0.000 B 51 TRP HE1 H 1 9.931 0.000 B 51 TRP HE3 H 1 7.447 0.000 B 51 TRP HH2 H 1 7.014 0.000 B 51 TRP HZ2 H 1 7.311 0.000 B 51 TRP HZ3 H 1 6.950 0.000 B 52 SER HA H 1 4.322 0.002 B 52 SER HBy H 1 3.743 0.001 B 52 SER HBx H 1 3.560 0.003 B 53 THR HA H 1 4.273 0.003 B 53 THR HB H 1 4.224 0.000 B 53 THR HG2% H 1 1.125 0.002 B 54 GLU HA H 1 4.262 0.004 B 54 GLU HBy H 1 2.025 0.000 B 54 GLU HBx H 1 1.850 0.000 B 54 GLU HGx H 1 2.237 0.001 B 55 ALA HA H 1 4.044 0.000 B 55 ALA HB% H 1 1.260 0.000 stop_ save_ save_1H-13C_HSQC_308K _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode 1H-13C_HSQC_308K loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 106 ALA HA H 1 4.025 0.000 A 106 ALA HB% H 1 1.480 0.000 A 106 ALA CA C 13 51.583 0.000 A 106 ALA CB C 13 19.169 0.000 A 107 ALA HA H 1 4.237 0.000 A 107 ALA HB% H 1 1.312 0.000 A 107 ALA CA C 13 52.317 0.000 A 107 ALA CB C 13 19.095 0.000 A 108 ALA HA H 1 4.274 0.000 A 108 ALA HB% H 1 1.293 0.000 A 108 ALA CA C 13 52.239 0.000 A 108 ALA CB C 13 19.108 0.000 A 109 THR HA H 1 4.231 0.000 A 109 THR HB H 1 4.128 0.000 A 109 THR HG2% H 1 1.149 0.000 A 109 THR CA C 13 61.832 0.000 A 109 THR CB C 13 69.551 0.000 A 109 THR CG2 C 13 21.544 0.000 A 110 ASN HA H 1 4.921 0.000 A 110 ASN CA C 13 51.202 0.000 A 111 PRO HA H 1 4.113 0.000 A 111 PRO CA C 13 64.838 0.000 A 112 ALA HB% H 1 1.054 0.000 A 112 ALA CB C 13 18.160 0.000 A 113 ARG HA H 1 3.891 0.000 A 113 ARG CA C 13 58.119 0.000 A 117 LEU HA H 1 4.136 0.000 A 117 LEU CA C 13 56.937 0.000 A 120 CYS HA H 1 5.174 0.000 A 120 CYS CA C 13 53.484 0.000 A 121 THR HA H 1 4.857 0.000 A 121 THR CA C 13 59.930 0.000 A 122 GLN HA H 1 3.926 0.000 A 122 GLN CA C 13 59.899 0.000 A 123 GLN HA H 1 3.947 0.000 A 123 GLN CA C 13 59.088 0.000 A 125 LEU HA H 1 3.961 0.000 A 125 LEU CA C 13 57.794 0.000 A 126 LEU HA H 1 4.189 0.000 A 126 LEU CA C 13 57.271 0.000 A 127 THR HA H 1 4.120 0.000 A 127 THR HB H 1 4.319 0.000 A 127 THR HG2% H 1 1.385 0.000 A 127 THR CA C 13 64.242 0.000 A 127 THR CB C 13 69.301 0.000 A 127 THR CG2 C 13 21.600 0.000 A 130 PRO HA H 1 4.359 0.000 A 130 PRO CA C 13 63.272 0.000 A 131 TYR HA H 1 4.318 0.000 A 131 TYR CA C 13 58.821 0.000 B 26 THR HB H 1 4.187 0.000 B 26 THR HG2% H 1 1.255 0.000 B 26 THR CB C 13 69.388 0.000 B 26 THR CG2 C 13 21.488 0.000 B 27 PRO HA H 1 4.389 0.000 B 27 PRO CA C 13 63.394 0.000 B 29 MET HA H 1 4.396 0.000 B 29 MET CA C 13 55.279 0.000 B 30 ARG HA H 1 4.020 0.000 B 30 ARG CA C 13 55.773 0.000 B 36 HIS HA H 1 4.325 0.000 B 36 HIS CA C 13 58.351 0.000 B 37 HIS HA H 1 4.266 0.000 B 37 HIS CA C 13 58.345 0.000 B 38 PHE HA H 1 4.044 0.000 B 38 PHE CA C 13 61.270 0.000 B 39 VAL HA H 1 3.129 0.000 B 39 VAL CA C 13 66.501 0.000 B 40 ARG HA H 1 3.758 0.000 B 40 ARG CA C 13 59.198 0.000 B 41 ALA HA H 1 3.986 0.000 B 41 ALA HB% H 1 1.353 0.000 B 41 ALA CA C 13 54.830 0.000 B 41 ALA CB C 13 19.144 0.000 B 42 LEU HA H 1 3.718 0.000 B 42 LEU CA C 13 57.724 0.000 B 43 VAL HA H 1 3.322 0.000 B 43 VAL CA C 13 66.247 0.000 B 44 ARG HA H 1 3.935 0.000 B 44 ARG CA C 13 59.116 0.000 B 45 VAL HA H 1 3.860 0.000 B 45 VAL CA C 13 65.081 0.000 B 49 PRO HA H 1 4.284 0.000 B 49 PRO CA C 13 63.480 0.000 B 50 ARG HA H 1 4.157 0.000 B 50 ARG CA C 13 56.197 0.000 B 52 SER HA H 1 4.342 0.000 B 52 SER CA C 13 58.332 0.000 B 53 THR HA H 1 4.292 0.000 B 53 THR CA C 13 61.815 0.000 B 54 GLU HA H 1 4.271 0.000 B 54 GLU CA C 13 56.259 0.000 B 55 ALA HA H 1 4.062 0.000 B 55 ALA HB% H 1 1.277 0.000 B 55 ALA CA C 13 53.645 0.000 B 55 ALA CB C 13 20.069 0.000 stop_ save_ save_1H-15N_HSQC_noesy_308K _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode 1H-15N_HSQC_noesy_308K loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 107 ALA H H 1 8.476 0.000 A 107 ALA N N 15 123.655 0.000 A 112 ALA H H 1 7.947 0.000 A 112 ALA HB% H 1 1.077 0.000 A 112 ALA N N 15 119.372 0.002 A 116 CYS H H 1 8.482 0.000 A 118 SER H H 1 8.156 0.000 A 119 GLY H H 1 7.194 0.000 A 119 GLY N N 15 109.053 0.004 B 47 GLY H H 1 7.883 0.000 B 47 GLY HAx H 1 3.901 0.000 B 47 GLY HAy H 1 3.983 0.000 B 47 GLY N N 15 108.185 0.035 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 114 TYR H A 110 ASN O 1.0 1.8 2.3 2 2 A 110 ASN O A 114 TYR N 1.0 2.8 3.3 3 3 A 117 LEU H A 113 ARG O 1.0 1.8 2.3 4 4 A 113 ARG O A 117 LEU N 1.0 2.8 3.3 5 5 A 126 LEU H A 123 GLN O 1.0 1.8 2.3 6 6 A 123 GLN O A 127 THR N 1.0 2.8 3.3 7 7 A 123 GLN O A 127 THR H 1.0 1.8 2.3 8 8 A 123 GLN O A 127 THR N 1.0 2.8 3.3 9 9 A 128 LEU H A 124 ASP O 1.0 1.8 2.3 10 10 A 124 ASP O A 128 LEU N 1.0 2.8 3.3 11 11 A 129 CYS H A 125 LEU O 1.0 1.8 2.3 12 12 A 125 LEU O A 129 CYS N 1.0 2.8 3.3 13 13 B 40 ARG H B 36 HIS O 1.0 1.8 2.3 14 14 B 36 HIS O B 40 ARG N 1.0 2.8 3.3 15 15 B 41 ALA H B 37 HIS O 1.0 1.8 2.3 16 16 B 37 HIS O B 41 ALA N 1.0 2.8 3.3 17 17 B 42 LEU H B 38 PHE O 1.0 1.8 2.3 18 18 B 38 PHE O B 42 LEU N 1.0 2.8 3.3 19 19 B 43 VAL H B 39 VAL O 1.0 1.8 2.3 20 20 B 39 VAL O B 43 VAL N 1.0 2.8 3.3 21 21 B 44 ARG H B 40 ARG O 1.0 1.8 2.3 22 22 B 40 ARG O B 44 ARG N 1.0 2.8 3.3 23 23 B 45 VAL H B 41 ALA O 1.0 1.8 2.3 24 24 B 41 ALA O B 45 VAL N 1.0 2.8 3.3 25 25 B 46 CYS H B 42 LEU O 1.0 1.8 2.3 26 26 B 42 LEU O B 46 CYS N 1.0 2.8 3.3 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 112 ALA C A 113 ARG N A 113 ARG CA A 113 ARG C 1.0 -104.61 -24.61 PHI 2 2 A 113 ARG C A 114 TYR N A 114 TYR CA A 114 TYR C 1.0 -111.22 -31.22 PHI 3 3 A 114 TYR C A 115 CYS N A 115 CYS CA A 115 CYS C 1.0 -101.27 -21.27 PHI 4 4 A 115 CYS C A 116 CYS N A 116 CYS CA A 116 CYS C 1.0 -108.36 -28.36 PHI 5 5 A 116 CYS C A 117 LEU N A 117 LEU CA A 117 LEU C 1.0 -103.42 -23.42 PHI 6 6 A 122 GLN C A 123 GLN N A 123 GLN CA A 123 GLN C 1.0 -103.27 -23.27 PHI 7 7 A 123 GLN C A 124 ASP N A 124 ASP CA A 124 ASP C 1.0 -106.41 -26.41 PHI 8 8 A 124 ASP C A 125 LEU N A 125 LEU CA A 125 LEU C 1.0 -101.88 -21.88 PHI 9 9 A 125 LEU C A 126 LEU N A 126 LEU CA A 126 LEU C 1.0 -104.41 -24.41 PHI 10 10 A 126 LEU C A 127 THR N A 127 THR CA A 127 THR C 1.0 -105.83 -25.83 PHI 11 11 A 127 THR C A 128 LEU N A 128 LEU CA A 128 LEU C 1.0 -129.85 -49.85 PHI 12 12 A 128 LEU C A 129 CYS N A 129 CYS CA A 129 CYS C 1.0 -105.00 -25.00 PHI 13 13 B 36 HIS C B 37 HIS N B 37 HIS CA B 37 HIS C 1.0 -103.34 -23.34 PHI 14 14 B 37 HIS C B 38 PHE N B 38 PHE CA B 38 PHE C 1.0 -103.85 -23.85 PHI 15 15 B 38 PHE C B 39 VAL N B 39 VAL CA B 39 VAL C 1.0 -104.12 -24.12 PHI 16 16 B 39 VAL C B 40 ARG N B 40 ARG CA B 40 ARG C 1.0 -101.64 -21.64 PHI 17 17 B 40 ARG C B 41 ALA N B 41 ALA CA B 41 ALA C 1.0 -102.12 -22.12 PHI 18 18 B 41 ALA C B 42 LEU N B 42 LEU CA B 42 LEU C 1.0 -102.55 -22.55 PHI 19 19 B 42 LEU C B 43 VAL N B 43 VAL CA B 43 VAL C 1.0 -103.67 -23.67 PHI 20 20 B 43 VAL C B 44 ARG N B 44 ARG CA B 44 ARG C 1.0 -106.28 -26.28 PHI 21 21 B 44 ARG C B 45 VAL N B 45 VAL CA B 45 VAL C 1.0 -105.37 -25.37 PHI 22 22 B 45 VAL C B 46 CYS N B 46 CYS CA B 46 CYS C 1.0 -105.37 -25.37 PHI 23 23 A 112 ALA N A 112 ALA CA A 112 ALA C A 113 ARG N 1.0 -80.54 -0.54 PSI 24 24 A 113 ARG N A 113 ARG CA A 113 ARG C A 114 TYR N 1.0 -73.85 6.15 PSI 25 25 A 114 TYR N A 114 TYR CA A 114 TYR C A 115 CYS N 1.0 -80.22 -0.22 PSI 26 26 A 115 CYS N A 115 CYS CA A 115 CYS C A 116 CYS N 1.0 -84.89 -4.89 PSI 27 27 A 116 CYS N A 116 CYS CA A 116 CYS C A 117 LEU N 1.0 -78.34 1.66 PSI 28 28 A 122 GLN N A 122 GLN CA A 122 GLN C A 123 GLN N 1.0 -75.87 4.13 PSI 29 29 A 123 GLN N A 123 GLN CA A 123 GLN C A 124 ASP N 1.0 -82.83 -2.83 PSI 30 30 A 124 ASP N A 124 ASP CA A 124 ASP C A 125 LEU N 1.0 -81.10 -1.10 PSI 31 31 A 125 LEU N A 125 LEU CA A 125 LEU C A 126 LEU N 1.0 -80.35 -0.35 PSI 32 32 A 126 LEU N A 126 LEU CA A 126 LEU C A 127 THR N 1.0 -71.73 8.27 PSI 33 33 B 36 HIS N B 36 HIS CA B 36 HIS C B 37 HIS N 1.0 -79.50 0.50 PSI 34 34 B 37 HIS N B 37 HIS CA B 37 HIS C B 38 PHE N 1.0 -82.49 -2.49 PSI 35 35 B 38 PHE N B 38 PHE CA B 38 PHE C B 39 VAL N 1.0 -82.20 -2.20 PSI 36 36 B 39 VAL N B 39 VAL CA B 39 VAL C B 40 ARG N 1.0 -84.14 -4.14 PSI 37 37 B 40 ARG N B 40 ARG CA B 40 ARG C B 41 ALA N 1.0 -78.85 1.15 PSI 38 38 B 41 ALA N B 41 ALA CA B 41 ALA C B 42 LEU N 1.0 -82.64 -2.64 PSI 39 39 B 42 LEU N B 42 LEU CA B 42 LEU C B 43 VAL N 1.0 -81.56 -1.56 PSI 40 40 B 43 VAL N B 43 VAL CA B 43 VAL C B 44 ARG N 1.0 -81.37 -1.37 PSI 41 41 B 44 ARG N B 44 ARG CA B 44 ARG C B 45 VAL N 1.0 -80.46 -0.46 PSI 42 42 A 125 LEU N A 125 LEU CA A 125 LEU CB A 125 LEU CG 1.0 -100.00 -20.00 CHI1 43 43 A 126 LEU N A 126 LEU CA A 126 LEU CB A 126 LEU CG 1.0 -100.00 -20.00 CHI1 44 44 A 128 LEU N A 128 LEU CA A 128 LEU CB A 128 LEU CG 1.0 -100.00 -20.00 CHI1 45 45 B 31 GLU N B 31 GLU CA B 31 GLU CB B 31 GLU CG 1.0 20.00 100.00 CHI1 46 46 B 32 LYS N B 32 LYS CA B 32 LYS CB B 32 LYS CG 1.0 -100.00 -20.00 CHI1 47 47 B 33 LEU N B 33 LEU CA B 33 LEU CB B 33 LEU CG 1.0 -100.00 -20.00 CHI1 48 48 B 37 HIS N B 37 HIS CA B 37 HIS CB B 37 HIS CG 1.0 -100.00 -20.00 CHI1 49 49 B 40 ARG N B 40 ARG CA B 40 ARG CB B 40 ARG CG 1.0 -100.00 -20.00 CHI1 50 50 B 44 ARG N B 44 ARG CA B 44 ARG CB B 44 ARG CG 1.0 -100.00 -20.00 CHI1 51 51 B 39 VAL N B 39 VAL CA B 39 VAL CB B 39 VAL CG1 1.0 140.00 220.00 CHI1 52 52 B 43 VAL N B 43 VAL CA B 43 VAL CB B 43 VAL CG1 1.0 140.00 220.00 CHI1 53 53 B 45 VAL N B 45 VAL CA B 45 VAL CB B 45 VAL CG1 1.0 140.00 220.00 CHI1 stop_ save_