data_nef_c16968_2k6u 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 PDB 2k6t 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 1 27 GLY C 2 26 LYS NZ 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 middle . . 27 A 132 GLY end . false 28 B 25 PRO start . false 29 B 26 THR middle . . 30 B 27 PRO middle . false 31 B 28 GLU middle . . 32 B 29 MET middle . . 33 B 30 ARG middle . . 34 B 31 GLU middle . . 35 B 32 LYS middle . . 36 B 33 LEU middle . . 37 B 34 CYS middle -HG . 38 B 35 GLY middle . false 39 B 36 HIS middle . . 40 B 37 HIS middle . . 41 B 38 PHE middle . . 42 B 39 VAL middle . . 43 B 40 ARG middle . . 44 B 41 ALA middle . . 45 B 42 LEU middle . . 46 B 43 VAL middle . . 47 B 44 ARG middle . . 48 B 45 VAL middle . . 49 B 46 CYS middle -HG . 50 B 47 GLY middle . false 51 B 48 GLY middle . false 52 B 49 PRO middle . false 53 B 50 LYS middle . . 54 B 51 TRP end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 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 4.029 0.000 A 106 ALA HB% H 1 1.482 0.000 A 107 ALA HA H 1 4.221 0.000 A 107 ALA HB% H 1 1.317 0.000 A 108 ALA HA H 1 4.248 0.000 A 108 ALA HB% H 1 1.281 0.000 A 109 THR HA H 1 4.224 0.001 A 109 THR HB H 1 4.116 0.001 A 109 THR HG2% H 1 1.156 0.000 A 110 ASN HA H 1 4.921 0.003 A 110 ASN HBx H 1 2.930 0.000 A 111 PRO HA H 1 4.110 0.002 A 111 PRO HBy H 1 2.356 0.003 A 111 PRO HBx H 1 1.914 0.002 A 111 PRO HDy H 1 3.830 0.000 A 111 PRO HDx H 1 3.761 0.000 A 111 PRO HGx H 1 2.018 0.004 A 112 ALA HB% H 1 1.045 0.000 A 113 ARG HA H 1 3.889 0.002 A 113 ARG HBy H 1 1.767 0.000 A 113 ARG HBx H 1 1.688 0.000 A 113 ARG HGy H 1 1.551 0.000 A 113 ARG HGx H 1 1.466 0.000 A 114 TYR HA H 1 4.191 0.000 A 114 TYR HBy H 1 3.057 0.000 A 114 TYR HBx H 1 2.969 0.000 A 116 CYS HA H 1 4.397 0.000 A 116 CYS HBy H 1 3.548 0.001 A 116 CYS HBx H 1 2.753 0.001 A 117 LEU HA H 1 4.145 0.001 A 117 LEU HG H 1 1.630 0.000 A 118 SER HA H 1 4.466 0.001 A 118 SER HBy H 1 3.495 0.000 A 118 SER HBx H 1 3.079 0.002 A 119 GLY HAy H 1 4.218 0.002 A 119 GLY HAx H 1 3.890 0.002 A 120 CYS HA H 1 5.200 0.002 A 120 CYS HBy H 1 3.710 0.001 A 120 CYS HBx H 1 2.595 0.000 A 121 THR HA H 1 4.878 0.001 A 121 THR HB H 1 4.762 0.001 A 121 THR HG2% H 1 1.154 0.001 A 122 GLN HA H 1 3.954 0.004 A 122 GLN HBx H 1 2.178 0.003 A 122 GLN HGy H 1 2.412 0.006 A 122 GLN HGx H 1 2.344 0.003 A 123 GLN HA H 1 3.963 0.001 A 124 ASP HA H 1 4.354 0.001 A 124 ASP HBy H 1 3.212 0.004 A 124 ASP HBx H 1 2.840 0.000 A 125 LEU HA H 1 3.970 0.001 A 125 LEU HBy H 1 2.043 0.002 A 125 LEU HBx H 1 1.239 0.001 A 125 LEU HDx% H 1 0.795 0.001 A 125 LEU HDy% H 1 0.736 0.002 A 125 LEU HG H 1 1.875 0.001 A 126 LEU HA H 1 4.256 0.000 A 126 LEU HBy H 1 1.775 0.000 A 126 LEU HBx H 1 1.555 0.000 A 127 THR HA H 1 4.155 0.000 A 127 THR HB H 1 4.374 0.000 A 127 THR HG2% H 1 1.401 0.000 A 128 LEU HA H 1 4.470 0.000 A 128 LEU HBy H 1 2.147 0.002 A 128 LEU HBx H 1 1.687 0.001 A 128 LEU HDx% H 1 1.076 0.001 A 128 LEU HDy% H 1 0.890 0.002 A 128 LEU HG H 1 1.984 0.000 A 129 CYS HA H 1 4.769 0.003 A 129 CYS HBy H 1 3.127 0.000 A 129 CYS HBx H 1 2.811 0.000 A 130 PRO HDy H 1 3.760 0.003 A 130 PRO HDx H 1 3.434 0.000 A 131 TYR HBy H 1 3.076 0.000 A 131 TYR HBx H 1 2.954 0.000 A 132 GLY HAy H 1 3.814 0.000 A 132 GLY HAx H 1 3.616 0.000 B 26 THR HB H 1 4.189 0.000 B 27 PRO HA H 1 4.406 0.000 B 27 PRO HBy H 1 2.296 0.001 B 27 PRO HBx H 1 1.891 0.000 B 27 PRO HDy H 1 3.836 0.000 B 27 PRO HDx H 1 3.732 0.003 B 28 GLU HA H 1 4.272 0.000 B 28 GLU HBy H 1 2.034 0.002 B 28 GLU HBx H 1 1.943 0.000 B 29 MET HA H 1 4.409 0.000 B 30 ARG HA H 1 4.015 0.002 B 30 ARG HBy H 1 1.557 0.002 B 30 ARG HBx H 1 1.470 0.000 B 30 ARG HDy H 1 3.091 0.000 B 30 ARG HDx H 1 3.050 0.000 B 30 ARG HGy H 1 1.362 0.000 B 30 ARG HGx H 1 1.269 0.003 B 31 GLU HA H 1 4.502 0.000 B 31 GLU HBx H 1 1.876 0.000 B 32 LYS HA H 1 4.582 0.001 B 32 LYS HBy H 1 1.943 0.000 B 32 LYS HBx H 1 1.724 0.000 B 32 LYS HDy H 1 1.603 0.000 B 32 LYS HDx H 1 1.576 0.000 B 32 LYS HEx H 1 2.833 0.000 B 32 LYS HEy H 1 2.833 0.000 B 32 LYS HGy H 1 1.411 0.002 B 32 LYS HGx H 1 0.988 0.003 B 33 LEU HA H 1 4.497 0.002 B 33 LEU HBy H 1 1.807 0.003 B 33 LEU HBx H 1 0.933 0.000 B 33 LEU HDy% H 1 0.694 0.002 B 33 LEU HG H 1 1.575 0.000 B 34 CYS HA H 1 4.937 0.002 B 34 CYS HBy H 1 3.248 0.000 B 34 CYS HBx H 1 2.987 0.000 B 35 GLY HAy H 1 3.991 0.000 B 35 GLY HAx H 1 3.757 0.000 B 36 HIS HA H 1 4.384 0.002 B 36 HIS HBx H 1 3.137 0.000 B 37 HIS HA H 1 4.255 0.001 B 37 HIS HBy H 1 3.419 0.002 B 37 HIS HBx H 1 3.181 0.002 B 38 PHE HA H 1 4.097 0.005 B 38 PHE HBy H 1 3.075 0.004 B 38 PHE HBx H 1 2.925 0.003 B 39 VAL HA H 1 3.128 0.001 B 39 VAL HB H 1 1.978 0.000 B 39 VAL HGx% H 1 1.008 0.000 B 39 VAL HGy% H 1 0.834 0.000 B 40 ARG HA H 1 3.779 0.000 B 40 ARG HBy H 1 1.672 0.000 B 40 ARG HDx H 1 3.128 0.000 B 40 ARG HDy H 1 3.129 0.000 B 41 ALA HA H 1 4.010 0.001 B 41 ALA HB% H 1 1.392 0.002 B 42 LEU HA H 1 3.743 0.002 B 42 LEU HBy H 1 1.250 0.002 B 42 LEU HBx H 1 1.074 0.005 B 42 LEU HDx% H 1 0.646 0.002 B 42 LEU HDy% H 1 0.537 0.001 B 42 LEU HG H 1 1.178 0.002 B 43 VAL HA H 1 3.352 0.000 B 43 VAL HB H 1 1.941 0.001 B 43 VAL HGx% H 1 0.786 0.000 B 43 VAL HGy% H 1 0.757 0.000 B 44 ARG HA H 1 3.982 0.001 B 44 ARG HBy H 1 1.982 0.000 B 44 ARG HBx H 1 1.859 0.000 B 44 ARG HDy H 1 3.230 0.000 B 44 ARG HDx H 1 3.137 0.000 B 45 VAL HA H 1 3.855 0.000 B 45 VAL HB H 1 2.023 0.000 B 45 VAL HGx% H 1 1.052 0.001 B 45 VAL HGy% H 1 0.915 0.002 B 47 GLY HAy H 1 4.053 0.000 B 47 GLY HAx H 1 3.909 0.000 B 48 GLY HAy H 1 4.167 0.003 B 48 GLY HAx H 1 4.005 0.005 B 49 PRO HA H 1 4.313 0.001 B 49 PRO HBy H 1 2.121 0.000 B 49 PRO HBx H 1 1.747 0.000 B 49 PRO HDy H 1 3.629 0.002 B 49 PRO HDx H 1 3.548 0.001 B 49 PRO HGx H 1 1.909 0.000 B 50 LYS HA H 1 3.993 0.000 B 50 LYS HBy H 1 1.370 0.000 B 50 LYS HEy H 1 2.935 0.000 B 51 TRP HBy H 1 3.346 0.000 B 51 TRP HBx H 1 3.085 0.000 stop_ save_ save_assigned_chem_shift_list_2 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_2 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 4.029 0.000 A 106 ALA HB% H 1 1.482 0.000 A 107 ALA H H 1 8.436 0.000 A 107 ALA HA H 1 4.221 0.000 A 107 ALA HB% H 1 1.297 0.005 A 108 ALA H H 1 8.245 0.002 A 108 ALA HA H 1 4.239 0.000 A 108 ALA HB% H 1 1.267 0.002 A 109 THR H H 1 7.952 0.000 A 109 THR HA H 1 4.204 0.001 A 109 THR HB H 1 4.103 0.000 A 109 THR HG2% H 1 1.140 0.000 A 110 ASN H H 1 8.331 0.001 A 110 ASN HA H 1 4.904 0.001 A 110 ASN HBy H 1 2.917 0.002 A 110 ASN HBx H 1 2.746 0.001 A 110 ASN HD2x H 1 6.874 0.000 A 110 ASN HD2y H 1 7.630 0.001 A 111 PRO HA H 1 4.096 0.000 A 111 PRO HBy H 1 2.335 0.000 A 111 PRO HBx H 1 1.894 0.004 A 111 PRO HDy H 1 3.808 0.002 A 111 PRO HDx H 1 3.745 0.000 A 111 PRO HGx H 1 2.018 0.000 A 112 ALA H H 1 7.813 0.003 A 112 ALA HB% H 1 1.025 0.001 A 113 ARG H H 1 7.451 0.001 A 113 ARG HA H 1 3.874 0.000 A 113 ARG HBy H 1 1.742 0.002 A 113 ARG HBx H 1 1.672 0.001 A 113 ARG HE H 1 6.874 0.001 A 113 ARG HGy H 1 1.540 0.000 A 113 ARG HGx H 1 1.466 0.000 A 114 TYR H H 1 8.001 0.003 A 114 TYR HA H 1 4.168 0.002 A 114 TYR HBy H 1 3.050 0.000 A 114 TYR HBx H 1 2.957 0.000 A 114 TYR HDx H 1 6.934 0.002 A 114 TYR HDy H 1 6.934 0.002 A 114 TYR HEx H 1 6.769 0.000 A 114 TYR HEy H 1 6.769 0.000 A 115 CYS H H 1 8.655 0.003 A 115 CYS HA H 1 4.407 0.000 A 115 CYS HBy H 1 3.175 0.002 A 115 CYS HBx H 1 2.754 0.006 A 116 CYS H H 1 7.488 0.003 A 116 CYS HA H 1 4.377 0.001 A 116 CYS HBy H 1 3.526 0.002 A 116 CYS HBx H 1 2.740 0.001 A 117 LEU H H 1 8.051 0.001 A 117 LEU HA H 1 4.132 0.000 A 117 LEU HBy H 1 1.646 0.000 A 117 LEU HBx H 1 1.429 0.001 A 117 LEU HDx% H 1 0.772 0.000 A 117 LEU HDy% H 1 0.772 0.000 A 117 LEU HG H 1 1.646 0.000 A 118 SER H H 1 8.110 0.002 A 118 SER HA H 1 4.449 0.000 A 118 SER HBy H 1 3.490 0.002 A 118 SER HBx H 1 3.082 0.000 A 119 GLY H H 1 7.117 0.001 A 119 GLY HAy H 1 4.197 0.008 A 119 GLY HAx H 1 3.878 0.002 A 120 CYS H H 1 8.793 0.002 A 120 CYS HA H 1 5.175 0.001 A 120 CYS HBy H 1 3.711 0.009 A 120 CYS HBx H 1 2.564 0.000 A 121 THR H H 1 9.692 0.003 A 121 THR HA H 1 4.853 0.002 A 121 THR HB H 1 4.747 0.004 A 121 THR HG2% H 1 1.136 0.002 A 122 GLN H H 1 8.990 0.001 A 122 GLN HA H 1 3.933 0.000 A 122 GLN HBy H 1 2.154 0.000 A 122 GLN HBx H 1 2.079 0.000 A 122 GLN HE2y H 1 7.420 0.002 A 122 GLN HE2x H 1 6.675 0.002 A 122 GLN HGy H 1 2.396 0.001 A 122 GLN HGx H 1 2.327 0.004 A 123 GLN H H 1 8.151 0.001 A 123 GLN HA H 1 3.943 0.000 A 123 GLN HBy H 1 2.057 0.002 A 123 GLN HBx H 1 1.973 0.000 A 123 GLN HE2y H 1 7.500 0.001 A 123 GLN HE2x H 1 6.789 0.000 A 123 GLN HGy H 1 2.430 0.005 A 123 GLN HGx H 1 2.376 0.002 A 124 ASP H H 1 7.740 0.002 A 124 ASP HA H 1 4.340 0.002 A 124 ASP HBy H 1 3.191 0.000 A 124 ASP HBx H 1 2.818 0.006 A 125 LEU H H 1 7.668 0.002 A 125 LEU HA H 1 3.949 0.000 A 125 LEU HBy H 1 2.013 0.000 A 125 LEU HBx H 1 1.239 0.000 A 125 LEU HDx% H 1 0.771 0.002 A 125 LEU HDy% H 1 0.713 0.002 A 125 LEU HG H 1 1.875 0.000 A 126 LEU H H 1 7.911 0.002 A 126 LEU HA H 1 4.231 0.003 A 126 LEU HBy H 1 1.775 0.000 A 126 LEU HBx H 1 1.555 0.000 A 126 LEU HDx% H 1 0.865 0.002 A 126 LEU HDy% H 1 0.863 0.004 A 126 LEU HG H 1 1.641 0.000 A 127 THR H H 1 7.464 0.002 A 127 THR HA H 1 4.155 0.000 A 127 THR HB H 1 4.373 0.000 A 127 THR HG2% H 1 1.378 0.000 A 128 LEU H H 1 7.763 0.001 A 128 LEU HA H 1 4.446 0.003 A 128 LEU HBy H 1 2.122 0.002 A 128 LEU HBx H 1 1.659 0.004 A 128 LEU HDx% H 1 1.050 0.003 A 128 LEU HDy% H 1 0.867 0.002 A 128 LEU HG H 1 1.956 0.004 A 129 CYS H H 1 7.367 0.002 A 129 CYS HA H 1 4.730 0.000 A 129 CYS HBy H 1 3.107 0.000 A 129 CYS HBx H 1 2.784 0.000 A 130 PRO HDy H 1 3.735 0.000 A 130 PRO HDx H 1 3.421 0.000 A 131 TYR H H 1 7.462 0.000 A 131 TYR HA H 1 4.393 0.002 A 131 TYR HBy H 1 3.069 0.010 A 131 TYR HBx H 1 2.937 0.006 A 131 TYR HDx H 1 7.101 0.000 A 131 TYR HDy H 1 7.101 0.000 A 131 TYR HEx H 1 6.816 0.000 A 131 TYR HEy H 1 6.816 0.000 A 132 GLY H H 1 8.078 0.001 A 132 GLY HAy H 1 3.801 0.001 A 132 GLY HAx H 1 3.615 0.001 B 26 THR H H 1 8.558 0.000 B 26 THR HB H 1 4.172 0.000 B 27 PRO HA H 1 4.387 0.000 B 27 PRO HBy H 1 2.296 0.000 B 27 PRO HBx H 1 1.891 0.000 B 27 PRO HDy H 1 3.818 0.000 B 27 PRO HDx H 1 3.711 0.000 B 28 GLU H H 1 8.397 0.001 B 28 GLU HA H 1 4.261 0.001 B 28 GLU HBy H 1 2.019 0.000 B 28 GLU HBx H 1 1.919 0.000 B 28 GLU HGy H 1 2.295 0.000 B 28 GLU HGx H 1 2.272 0.000 B 29 MET H H 1 8.325 0.001 B 29 MET HA H 1 4.398 0.003 B 29 MET HBy H 1 2.009 0.000 B 29 MET HBx H 1 1.988 0.003 B 29 MET HGy H 1 2.538 0.001 B 29 MET HGx H 1 2.487 0.003 B 30 ARG H H 1 8.382 0.001 B 30 ARG HA H 1 3.992 0.000 B 30 ARG HBy H 1 1.539 0.000 B 30 ARG HBx H 1 1.450 0.001 B 30 ARG HDy H 1 3.091 0.000 B 30 ARG HDx H 1 3.050 0.000 B 30 ARG HE H 1 7.075 0.000 B 30 ARG HGy H 1 1.347 0.004 B 30 ARG HGx H 1 1.253 0.002 B 31 GLU H H 1 7.982 0.005 B 31 GLU HA H 1 4.484 0.001 B 31 GLU HBy H 1 1.861 0.004 B 31 GLU HBx H 1 1.813 0.001 B 31 GLU HGy H 1 2.193 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 4.555 0.000 B 32 LYS HBy H 1 1.923 0.000 B 32 LYS HBx H 1 1.707 0.000 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 2.833 0.000 B 32 LYS HEy H 1 2.833 0.000 B 32 LYS HGy H 1 1.397 0.000 B 32 LYS HGx H 1 0.970 0.000 B 33 LEU H H 1 7.904 0.002 B 33 LEU HA H 1 4.474 0.002 B 33 LEU HBy H 1 1.790 0.003 B 33 LEU HBx H 1 0.933 0.000 B 33 LEU HDx% H 1 0.909 0.002 B 33 LEU HDy% H 1 0.659 0.002 B 33 LEU HG H 1 1.551 0.000 B 34 CYS H H 1 8.596 0.001 B 34 CYS HA H 1 4.921 0.002 B 34 CYS HBy H 1 3.238 0.000 B 34 CYS HBx H 1 2.968 0.001 B 35 GLY H H 1 9.018 0.000 B 35 GLY HAy H 1 3.972 0.000 B 35 GLY HAx H 1 3.769 0.000 B 36 HIS H H 1 7.822 0.000 B 36 HIS HA H 1 4.384 0.003 B 36 HIS HBy H 1 3.151 0.000 B 36 HIS HBx H 1 3.109 0.000 B 36 HIS HD2 H 1 6.998 0.001 B 36 HIS HE1 H 1 8.111 0.001 B 37 HIS H H 1 7.927 0.002 B 37 HIS HA H 1 4.259 0.002 B 37 HIS HBy H 1 3.436 0.001 B 37 HIS HBx H 1 3.201 0.001 B 37 HIS HD2 H 1 7.220 0.003 B 37 HIS HE1 H 1 8.227 0.000 B 38 PHE H H 1 7.050 0.001 B 38 PHE HA H 1 4.070 0.003 B 38 PHE HBy H 1 3.055 0.003 B 38 PHE HBx H 1 2.908 0.002 B 38 PHE HDx H 1 6.971 0.000 B 38 PHE HDy H 1 6.971 0.000 B 38 PHE HEx H 1 7.147 0.000 B 38 PHE HEy H 1 7.147 0.000 B 39 VAL H H 1 6.992 0.000 B 39 VAL HA H 1 3.123 0.002 B 39 VAL HB H 1 1.978 0.000 B 39 VAL HGx% H 1 1.002 0.000 B 39 VAL HGy% H 1 0.843 0.013 B 40 ARG H H 1 7.821 0.001 B 40 ARG HA H 1 3.772 0.000 B 40 ARG HBy H 1 1.672 0.000 B 40 ARG HDx H 1 3.110 0.000 B 40 ARG HDy H 1 3.111 0.000 B 41 ALA H H 1 7.418 0.002 B 41 ALA HA H 1 3.991 0.000 B 41 ALA HB% H 1 1.367 0.001 B 42 LEU H H 1 7.764 0.002 B 42 LEU HA H 1 3.727 0.001 B 42 LEU HBy H 1 1.247 0.000 B 42 LEU HBx H 1 1.041 0.000 B 42 LEU HDx% H 1 0.626 0.001 B 42 LEU HDy% H 1 0.525 0.002 B 42 LEU HG H 1 1.160 0.000 B 43 VAL H H 1 7.954 0.002 B 43 VAL HA H 1 3.342 0.000 B 43 VAL HB H 1 1.918 0.000 B 43 VAL HGx% H 1 0.773 0.001 B 43 VAL HGy% H 1 0.745 0.003 B 44 ARG H H 1 7.425 0.001 B 44 ARG HA H 1 3.970 0.001 B 44 ARG HBy H 1 1.954 0.002 B 44 ARG HBx H 1 1.839 0.002 B 44 ARG HDy H 1 3.215 0.000 B 44 ARG HDx H 1 3.117 0.000 B 44 ARG HE H 1 7.187 0.002 B 44 ARG HGx H 1 1.661 0.000 B 45 VAL H H 1 8.065 0.000 B 45 VAL HA H 1 3.840 0.002 B 45 VAL HB H 1 2.001 0.000 B 45 VAL HGx% H 1 1.027 0.004 B 45 VAL HGy% H 1 0.888 0.002 B 46 CYS H H 1 8.488 0.001 B 46 CYS HA H 1 4.631 0.000 B 46 CYS HBy H 1 2.987 0.010 B 46 CYS HBx H 1 2.752 0.003 B 47 GLY H H 1 7.747 0.000 B 47 GLY HAy H 1 4.042 0.000 B 47 GLY HAx H 1 3.904 0.005 B 48 GLY H H 1 7.988 0.001 B 48 GLY HAy H 1 4.152 0.000 B 48 GLY HAx H 1 4.003 0.000 B 49 PRO HA H 1 4.296 0.000 B 49 PRO HBy H 1 2.121 0.000 B 49 PRO HBx H 1 1.747 0.000 B 49 PRO HDy H 1 3.609 0.000 B 49 PRO HDx H 1 3.530 0.000 B 49 PRO HGx H 1 1.909 0.000 B 50 LYS H H 1 7.996 0.002 B 50 LYS HA H 1 3.989 0.000 B 50 LYS HBy H 1 1.443 0.006 B 50 LYS HBx H 1 1.339 0.003 B 50 LYS HEy H 1 2.935 0.000 B 50 LYS HGy H 1 1.004 0.000 B 51 TRP H H 1 7.583 0.001 B 51 TRP HBy H 1 3.325 0.002 B 51 TRP HBx H 1 3.075 0.001 B 51 TRP HD1 H 1 7.202 0.003 B 51 TRP HE1 H 1 9.931 0.000 B 51 TRP HE3 H 1 7.574 0.001 B 51 TRP HH2 H 1 7.082 0.002 B 51 TRP HZ2 H 1 7.372 0.001 B 51 TRP HZ3 H 1 7.019 0.000 stop_ save_ save_assigned_chem_shift_list_3 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_3 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 4.021 0.000 A 106 ALA HB% H 1 1.480 0.000 A 106 ALA CA C 13 51.546 0.000 A 106 ALA CB C 13 19.192 0.000 A 107 ALA HA H 1 4.257 0.000 A 107 ALA HB% H 1 1.308 0.000 A 107 ALA CA C 13 52.294 0.000 A 107 ALA CB C 13 19.110 0.000 A 108 ALA HA H 1 4.236 0.000 A 108 ALA HB% H 1 1.277 0.000 A 108 ALA CA C 13 52.291 0.000 A 108 ALA CB C 13 19.065 0.000 A 109 THR HA H 1 4.223 0.000 A 109 THR HB H 1 4.107 0.000 A 109 THR CA C 13 61.946 0.000 A 109 THR CB C 13 69.579 0.000 A 110 ASN HA H 1 4.917 0.000 A 110 ASN CA C 13 51.377 0.000 A 111 PRO HA H 1 4.104 0.000 A 111 PRO CA C 13 65.103 0.000 A 112 ALA HB% H 1 1.039 0.000 A 112 ALA CB C 13 18.207 0.000 A 117 LEU HA H 1 4.141 0.000 A 117 LEU CA C 13 56.957 0.000 A 118 SER HA H 1 4.459 0.000 A 118 SER HBy H 1 3.494 0.000 A 118 SER HBx H 1 3.075 0.000 A 118 SER CA C 13 59.858 0.000 A 118 SER CB C 13 63.675 0.007 A 119 GLY HAy H 1 4.217 0.000 A 119 GLY HAx H 1 3.878 0.000 A 119 GLY CA C 13 43.938 0.002 A 120 CYS HA H 1 5.182 0.000 A 120 CYS CA C 13 53.377 0.000 A 121 THR HA H 1 4.872 0.000 A 121 THR HB H 1 4.756 0.000 A 121 THR HG2% H 1 1.151 0.000 A 121 THR CA C 13 59.953 0.000 A 121 THR CB C 13 71.762 0.000 A 121 THR CG2 C 13 21.599 0.000 A 122 GLN HA H 1 3.947 0.000 A 122 GLN CA C 13 59.982 0.000 A 123 GLN HA H 1 3.964 0.000 A 123 GLN CA C 13 59.159 0.000 A 124 ASP HA H 1 4.350 0.000 A 124 ASP CA C 13 57.567 0.000 A 125 LEU HA H 1 3.967 0.000 A 125 LEU CA C 13 57.907 0.000 A 126 LEU HA H 1 4.246 0.000 A 126 LEU CA C 13 57.448 0.000 A 127 THR HA H 1 4.153 0.000 A 127 THR HB H 1 4.367 0.000 A 127 THR HG2% H 1 1.389 0.000 A 127 THR CA C 13 64.291 0.000 A 127 THR CB C 13 69.423 0.000 A 127 THR CG2 C 13 21.685 0.000 A 128 LEU HA H 1 4.472 0.000 A 128 LEU CA C 13 54.602 0.000 A 131 TYR HA H 1 4.393 0.000 A 131 TYR CA C 13 58.489 0.000 A 132 GLY HAy H 1 3.808 0.000 A 132 GLY HAx H 1 3.616 0.000 A 132 GLY CA C 13 45.316 0.008 B 25 PRO HA H 1 4.446 0.000 B 25 PRO CA C 13 62.334 0.000 B 26 THR HB H 1 4.184 0.000 B 26 THR HG2% H 1 1.261 0.000 B 26 THR CB C 13 69.478 0.000 B 26 THR CG2 C 13 21.618 0.000 B 27 PRO HA H 1 4.394 0.000 B 27 PRO CA C 13 63.515 0.000 B 28 GLU HA H 1 4.266 0.000 B 28 GLU CA C 13 56.309 0.000 B 29 MET HA H 1 4.407 0.000 B 29 MET CA C 13 55.280 0.000 B 30 ARG HA H 1 4.007 0.000 B 30 ARG CA C 13 55.754 0.000 B 31 GLU HA H 1 4.494 0.000 B 31 GLU CA C 13 55.050 0.000 B 32 LYS HA H 1 4.570 0.000 B 32 LYS CA C 13 56.704 0.000 B 33 LEU HA H 1 4.491 0.000 B 33 LEU CA C 13 53.209 0.000 B 34 CYS HA H 1 4.932 0.000 B 34 CYS CA C 13 54.653 0.000 B 35 GLY HAy H 1 3.985 0.000 B 35 GLY HAx H 1 3.811 0.000 B 35 GLY CA C 13 46.736 0.004 B 36 HIS HA H 1 4.391 0.000 B 36 HIS CA C 13 56.518 0.000 B 37 HIS HA H 1 4.251 0.000 B 37 HIS CA C 13 58.506 0.000 B 38 PHE HA H 1 4.083 0.000 B 38 PHE CA C 13 61.140 0.000 B 39 VAL HA H 1 3.121 0.000 B 39 VAL CA C 13 66.563 0.000 B 40 ARG HA H 1 3.778 0.000 B 40 ARG CA C 13 59.028 0.000 B 41 ALA HA H 1 4.001 0.000 B 41 ALA HB% H 1 1.387 0.000 B 41 ALA CA C 13 54.911 0.000 B 41 ALA CB C 13 19.294 0.000 B 42 LEU HA H 1 3.741 0.000 B 42 LEU CA C 13 57.751 0.000 B 43 VAL HA H 1 3.378 0.000 B 43 VAL CA C 13 66.239 0.000 B 44 ARG HA H 1 3.994 0.000 B 44 ARG CA C 13 57.446 0.000 B 45 VAL HA H 1 3.848 0.000 B 45 VAL CA C 13 65.079 0.000 B 46 CYS HA H 1 4.649 0.000 B 46 CYS CA C 13 54.857 0.000 B 47 GLY HAy H 1 3.909 0.000 B 47 GLY CA C 13 45.472 0.000 B 48 GLY HAx H 1 4.161 0.000 B 48 GLY CA C 13 45.453 0.000 B 49 PRO HA H 1 4.297 0.000 B 49 PRO CA C 13 63.815 0.000 B 51 TRP HA H 1 4.509 0.000 B 51 TRP CA C 13 57.116 0.000 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _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 115 CYS H A 111 PRO O 1.0 1.8 2.3 2 2 A 111 PRO O A 115 CYS N 1.0 2.8 3.3 3 3 A 116 CYS H A 112 ALA O 1.0 1.8 2.3 4 4 A 112 ALA O A 116 CYS N 1.0 2.8 3.3 5 5 A 126 LEU H A 122 GLN O 1.0 1.8 2.3 6 6 A 122 GLN O A 126 LEU N 1.0 2.8 3.3 7 7 A 127 THR H A 123 GLN O 1.0 1.8 2.3 8 8 A 123 GLN O A 127 THR N 1.0 2.8 3.3 9 9 B 40 ARG H B 36 HIS O 1.0 1.8 2.3 10 10 B 36 HIS O B 40 ARG N 1.0 2.8 3.3 11 11 B 41 ALA H B 37 HIS O 1.0 1.8 2.3 12 12 B 37 HIS O B 41 ALA N 1.0 2.8 3.3 13 13 B 42 LEU H B 38 PHE O 1.0 1.8 2.3 14 14 B 38 PHE O B 42 LEU N 1.0 2.8 3.3 15 15 B 43 VAL H B 39 VAL O 1.0 1.8 2.3 16 16 B 39 VAL O B 43 VAL N 1.0 2.8 3.3 17 17 B 44 ARG H B 40 ARG O 1.0 1.8 2.3 18 18 B 40 ARG O B 44 ARG N 1.0 2.8 3.3 19 19 B 45 VAL H B 41 ALA O 1.0 1.8 2.3 20 20 B 41 ALA O B 45 VAL N 1.0 2.8 3.3 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _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 111 PRO C A 112 ALA N A 112 ALA CA A 112 ALA C 1.0 -92.39 -32.39 PHI 2 2 A 112 ALA C A 113 ARG N A 113 ARG CA A 113 ARG C 1.0 -94.93 -34.93 PHI 3 3 A 113 ARG C A 114 TYR N A 114 TYR CA A 114 TYR C 1.0 -91.00 -31.00 PHI 4 4 A 114 TYR C A 115 CYS N A 115 CYS CA A 115 CYS C 1.0 -99.48 -39.48 PHI 5 5 A 115 CYS C A 116 CYS N A 116 CYS CA A 116 CYS C 1.0 -110.05 -50.05 PHI 6 6 A 116 CYS C A 117 LEU N A 117 LEU CA A 117 LEU C 1.0 -92.93 -32.93 PHI 7 7 A 121 THR C A 122 GLN N A 122 GLN CA A 122 GLN C 1.0 -91.10 -31.10 PHI 8 8 A 122 GLN C A 123 GLN N A 123 GLN CA A 123 GLN C 1.0 -92.99 -32.99 PHI 9 9 A 123 GLN C A 124 ASP N A 124 ASP CA A 124 ASP C 1.0 -91.31 -31.31 PHI 10 10 A 124 ASP C A 125 LEU N A 125 LEU CA A 125 LEU C 1.0 -95.42 -35.42 PHI 11 11 A 125 LEU C A 126 LEU N A 126 LEU CA A 126 LEU C 1.0 -93.48 -33.48 PHI 12 12 A 126 LEU C A 127 THR N A 127 THR CA A 127 THR C 1.0 -94.30 -34.30 PHI 13 13 A 127 THR C A 128 LEU N A 128 LEU CA A 128 LEU C 1.0 -116.72 -56.72 PHI 14 14 A 128 LEU C A 129 CYS N A 129 CYS CA A 129 CYS C 1.0 -106.88 -46.88 PHI 15 15 B 35 GLY C B 36 HIS N B 36 HIS CA B 36 HIS C 1.0 -103.44 -43.44 PHI 16 16 B 36 HIS C B 37 HIS N B 37 HIS CA B 37 HIS C 1.0 -90.89 -30.89 PHI 17 17 B 37 HIS C B 38 PHE N B 38 PHE CA B 38 PHE C 1.0 -93.01 -33.01 PHI 18 18 B 38 PHE C B 39 VAL N B 39 VAL CA B 39 VAL C 1.0 -94.25 -34.25 PHI 19 19 B 39 VAL C B 40 ARG N B 40 ARG CA B 40 ARG C 1.0 -91.36 -31.36 PHI 20 20 B 40 ARG C B 41 ALA N B 41 ALA CA B 41 ALA C 1.0 -92.02 -32.02 PHI 21 21 B 41 ALA C B 42 LEU N B 42 LEU CA B 42 LEU C 1.0 -96.68 -36.68 PHI 22 22 B 42 LEU C B 43 VAL N B 43 VAL CA B 43 VAL C 1.0 -92.82 -32.82 PHI 23 23 B 43 VAL C B 44 ARG N B 44 ARG CA B 44 ARG C 1.0 -91.55 -31.55 PHI 24 24 B 44 ARG C B 45 VAL N B 45 VAL CA B 45 VAL C 1.0 -96.12 -36.12 PHI 25 25 B 45 VAL C B 46 CYS N B 46 CYS CA B 46 CYS C 1.0 -121.87 -61.87 PHI 26 26 A 112 ALA N A 112 ALA CA A 112 ALA C A 113 ARG N 1.0 -73.30 -13.30 PSI 27 27 A 113 ARG N A 113 ARG CA A 113 ARG C A 114 TYR N 1.0 -70.78 -10.78 PSI 28 28 A 114 TYR N A 114 TYR CA A 114 TYR C A 115 CYS N 1.0 -76.19 -16.19 PSI 29 29 A 115 CYS N A 115 CYS CA A 115 CYS C A 116 CYS N 1.0 -53.90 6.10 PSI 30 30 A 122 GLN N A 122 GLN CA A 122 GLN C A 123 GLN N 1.0 -68.28 -8.28 PSI 31 31 A 123 GLN N A 123 GLN CA A 123 GLN C A 124 ASP N 1.0 -71.23 -11.23 PSI 32 32 A 124 ASP N A 124 ASP CA A 124 ASP C A 125 LEU N 1.0 -71.21 -11.21 PSI 33 33 A 125 LEU N A 125 LEU CA A 125 LEU C A 126 LEU N 1.0 -69.10 -9.10 PSI 34 34 A 126 LEU N A 126 LEU CA A 126 LEU C A 127 THR N 1.0 -73.33 -13.33 PSI 35 35 B 37 HIS N B 37 HIS CA B 37 HIS C B 38 PHE N 1.0 -70.57 -10.57 PSI 36 36 B 38 PHE N B 38 PHE CA B 38 PHE C B 39 VAL N 1.0 -69.91 -9.91 PSI 37 37 B 39 VAL N B 39 VAL CA B 39 VAL C B 40 ARG N 1.0 -72.43 -12.43 PSI 38 38 B 40 ARG N B 40 ARG CA B 40 ARG C B 41 ALA N 1.0 -70.16 -10.16 PSI 39 39 B 41 ALA N B 41 ALA CA B 41 ALA C B 42 LEU N 1.0 -70.87 -10.87 PSI 40 40 B 42 LEU N B 42 LEU CA B 42 LEU C B 43 VAL N 1.0 -69.67 -9.67 PSI 41 41 B 43 VAL N B 43 VAL CA B 43 VAL C B 44 ARG N 1.0 -72.87 -12.87 PSI 42 42 B 44 ARG N B 44 ARG CA B 44 ARG C B 45 VAL N 1.0 -70.23 -10.23 PSI 43 43 B 45 VAL N B 45 VAL CA B 45 VAL C B 46 CYS N 1.0 -64.68 -4.68 PSI 44 44 A 120 CYS N A 120 CYS CA A 120 CYS CB A 120 CYS SG 1.0 20.00 100.00 CHI1 45 45 A 128 LEU N A 128 LEU CA A 128 LEU CB A 128 LEU CG 1.0 -100.00 -20.00 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 34 CYS N B 34 CYS CA B 34 CYS CB B 34 CYS SG 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 38 PHE N B 38 PHE CA B 38 PHE CB B 38 PHE CG 1.0 140.00 220.00 CHI1 50 50 B 40 ARG N B 40 ARG CA B 40 ARG CB B 40 ARG CG 1.0 -100.00 -20.00 CHI1 51 51 B 44 ARG N B 44 ARG CA B 44 ARG CB B 44 ARG CG 1.0 140.00 220.00 CHI1 52 52 B 39 VAL N B 39 VAL CA B 39 VAL CB B 39 VAL CG2 1.0 140.00 220.00 . 53 53 B 43 VAL N B 43 VAL CA B 43 VAL CB B 43 VAL CG2 1.0 140.00 220.00 . 54 54 B 45 VAL N B 45 VAL CA B 45 VAL CB B 45 VAL CG2 1.0 140.00 220.00 . 55 55 B 39 VAL N B 39 VAL CA B 39 VAL CB B 39 VAL CG1 1.0 140.00 220.00 CHI1 56 56 B 43 VAL N B 43 VAL CA B 43 VAL CB B 43 VAL CG1 1.0 140.00 220.00 CHI1 57 57 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_