data_nef_c25050_2mqu 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 2MQU 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 2 CYS SG 1 18 CYS SG 1 9 CYS SG 1 23 CYS SG 1 17 CYS SG 1 34 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 1 GLY start . false 2 A 2 CYS middle -HG . 3 A 3 ILE middle . . 4 A 4 ALA middle . . 5 A 5 LYS middle . . 6 A 6 ASN middle . . 7 A 7 LYS middle . . 8 A 8 GLU middle . . 9 A 9 CYS middle -HG . 10 A 10 ALA middle . . 11 A 11 TRP middle . . 12 A 12 PHE middle . . 13 A 13 SER middle . . 14 A 14 GLY middle . false 15 A 15 GLU middle . . 16 A 16 TRP middle . . 17 A 17 CYS middle -HG . 18 A 18 CYS middle -HG . 19 A 19 GLY middle . false 20 A 20 ALA middle . . 21 A 21 LEU middle . . 22 A 22 SER middle . . 23 A 23 CYS middle -HG . 24 A 24 LYS middle . . 25 A 25 TYR middle . . 26 A 26 SER middle . . 27 A 27 ILE middle . . 28 A 28 LYS middle . . 29 A 29 ARG middle . . 30 A 30 ASN middle . . 31 A 31 LEU middle . . 32 A 32 LYS middle . . 33 A 33 ILE middle . . 34 A 34 CYS middle -HG . 35 A 35 VAL 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 2 CYS H H 1 8.404 0.01 A 2 CYS HA H 1 4.923 0.01 A 2 CYS HB2 H 1 2.980 0.01 A 2 CYS HB3 H 1 2.980 0.01 A 2 CYS CA C 13 53.693 0.1 A 2 CYS CB C 13 42.729 0.1 A 3 ILE H H 1 8.924 0.01 A 3 ILE HA H 1 3.929 0.01 A 3 ILE HB H 1 1.710 0.01 A 3 ILE HD1% H 1 0.754 0.01 A 3 ILE HG1x H 1 0.916 0.01 A 3 ILE HG1y H 1 1.363 0.01 A 3 ILE HG2% H 1 0.917 0.01 A 3 ILE CA C 13 61.148 0.1 A 3 ILE CB C 13 38.040 0.1 A 3 ILE CD1 C 13 12.566 0.1 A 3 ILE CG1 C 13 26.824 0.1 A 3 ILE CG2 C 13 19.629 0.1 A 4 ALA H H 1 7.989 0.01 A 4 ALA HA H 1 3.969 0.01 A 4 ALA HB% H 1 1.354 0.01 A 4 ALA CA C 13 50.824 0.1 A 4 ALA CB C 13 20.002 0.1 A 5 LYS H H 1 7.690 0.01 A 5 LYS HA H 1 3.738 0.01 A 5 LYS HB2 H 1 1.627 0.01 A 5 LYS HB3 H 1 1.627 0.01 A 5 LYS HDy H 1 1.700 0.01 A 5 LYS HDx H 1 1.641 0.01 A 5 LYS HE2 H 1 2.996 0.01 A 5 LYS HE3 H 1 2.996 0.01 A 5 LYS HG2 H 1 1.390 0.01 A 5 LYS HG3 H 1 1.390 0.01 A 5 LYS CA C 13 57.064 0.1 A 5 LYS CB C 13 32.180 0.1 A 5 LYS CD C 13 28.994 0.1 A 5 LYS CE C 13 41.643 0.1 A 5 LYS CG C 13 24.185 0.1 A 6 ASN H H 1 9.818 0.01 A 6 ASN HA H 1 4.151 0.01 A 6 ASN HBy H 1 3.235 0.01 A 6 ASN HBx H 1 2.928 0.01 A 6 ASN HD2y H 1 7.510 0.01 A 6 ASN HD2x H 1 6.827 0.01 A 6 ASN CA C 13 54.899 0.1 A 6 ASN CB C 13 36.680 0.1 A 7 LYS H H 1 7.801 0.01 A 7 LYS HA H 1 4.507 0.01 A 7 LYS HBy H 1 2.091 0.01 A 7 LYS HBx H 1 1.762 0.01 A 7 LYS HD2 H 1 1.646 0.01 A 7 LYS HD3 H 1 1.646 0.01 A 7 LYS HGy H 1 1.402 0.01 A 7 LYS HGx H 1 1.229 0.01 A 7 LYS CB C 13 32.089 0.1 A 7 LYS CD C 13 27.730 0.1 A 7 LYS CG C 13 24.370 0.1 A 8 GLU H H 1 8.370 0.01 A 8 GLU HA H 1 4.699 0.01 A 8 GLU HBx H 1 2.296 0.01 A 8 GLU HBy H 1 2.390 0.01 A 8 GLU HGx H 1 1.903 0.01 A 8 GLU HGy H 1 1.934 0.01 A 8 GLU CB C 13 36.344 0.1 A 8 GLU CG C 13 29.718 0.1 A 9 CYS H H 1 8.157 0.01 A 9 CYS HA H 1 4.870 0.01 A 9 CYS HB2 H 1 3.166 0.01 A 9 CYS HB3 H 1 3.166 0.01 A 9 CYS CA C 13 53.222 0.1 A 9 CYS CB C 13 47.025 0.1 A 10 ALA H H 1 8.169 0.01 A 10 ALA HA H 1 4.219 0.01 A 10 ALA HB% H 1 1.213 0.01 A 10 ALA CA C 13 51.034 0.1 A 10 ALA CB C 13 20.222 0.1 A 11 TRP H H 1 8.070 0.01 A 11 TRP HA H 1 4.592 0.01 A 11 TRP HB2 H 1 2.925 0.01 A 11 TRP HB3 H 1 2.731 0.01 A 11 TRP HD1 H 1 6.904 0.01 A 11 TRP HE1 H 1 9.906 0.01 A 11 TRP HE3 H 1 7.530 0.01 A 11 TRP HH2 H 1 7.138 0.01 A 11 TRP HZ2 H 1 7.484 0.01 A 11 TRP HZ3 H 1 7.224 0.01 A 11 TRP CB C 13 28.323 0.1 A 11 TRP CZ2 C 13 121.201 0.1 A 11 TRP CZ3 C 13 123.903 0.1 A 12 PHE H H 1 8.019 0.01 A 12 PHE HA H 1 4.511 0.01 A 12 PHE HBy H 1 3.087 0.01 A 12 PHE HBx H 1 2.973 0.01 A 12 PHE HD1 H 1 7.127 0.01 A 12 PHE HD2 H 1 7.127 0.01 A 12 PHE HE1 H 1 7.259 0.01 A 12 PHE HE2 H 1 7.259 0.01 A 12 PHE HZ H 1 7.221 0.01 A 12 PHE CB C 13 37.701 0.1 A 13 SER H H 1 7.860 0.01 A 13 SER HA H 1 4.366 0.01 A 13 SER HBy H 1 3.807 0.01 A 13 SER HBx H 1 3.655 0.01 A 13 SER CB C 13 63.656 0.1 A 14 GLY H H 1 7.866 0.01 A 14 GLY HA2 H 1 3.643 0.01 A 14 GLY HA3 H 1 3.998 0.01 A 14 GLY CA C 13 44.585 0.1 A 15 GLU H H 1 7.719 0.01 A 15 GLU HA H 1 4.305 0.01 A 15 GLU HBy H 1 1.898 0.01 A 15 GLU HBx H 1 1.730 0.01 A 15 GLU HGx H 1 2.076 0.01 A 15 GLU HGy H 1 2.143 0.01 A 15 GLU CA C 13 54.899 0.1 A 15 GLU CB C 13 30.697 0.1 A 15 GLU CG C 13 35.385 0.1 A 16 TRP H H 1 8.423 0.01 A 16 TRP HA H 1 4.927 0.01 A 16 TRP HB2 H 1 3.084 0.01 A 16 TRP HB3 H 1 3.447 0.01 A 16 TRP HD1 H 1 7.258 0.01 A 16 TRP HE1 H 1 10.029 0.01 A 16 TRP HE3 H 1 7.723 0.01 A 16 TRP HH2 H 1 7.107 0.01 A 16 TRP HZ2 H 1 7.451 0.01 A 16 TRP HZ3 H 1 7.180 0.01 A 16 TRP CA C 13 54.769 0.1 A 16 TRP CB C 13 30.442 0.1 A 16 TRP CZ3 C 13 131.414 0.1 A 17 CYS H H 1 8.749 0.01 A 17 CYS HA H 1 5.056 0.01 A 17 CYS HB2 H 1 2.560 0.01 A 17 CYS HB3 H 1 2.933 0.01 A 17 CYS CA C 13 54.656 0.1 A 17 CYS CB C 13 38.961 0.1 A 18 CYS H H 1 9.360 0.01 A 18 CYS HA H 1 4.486 0.01 A 18 CYS HB2 H 1 2.520 0.01 A 18 CYS HB3 H 1 3.244 0.01 A 18 CYS CB C 13 40.878 0.1 A 19 GLY H H 1 8.577 0.01 A 19 GLY HA2 H 1 3.735 0.01 A 19 GLY HA3 H 1 3.687 0.01 A 19 GLY CA C 13 46.925 0.1 A 20 ALA H H 1 8.625 0.01 A 20 ALA HA H 1 4.445 0.01 A 20 ALA HB% H 1 1.376 0.01 A 20 ALA CB C 13 17.578 0.1 A 21 LEU H H 1 7.637 0.01 A 21 LEU HA H 1 4.368 0.01 A 21 LEU HBy H 1 1.956 0.01 A 21 LEU HBx H 1 1.308 0.01 A 21 LEU HD1% H 1 0.823 0.01 A 21 LEU HD2% H 1 0.745 0.01 A 21 LEU HG H 1 1.749 0.01 A 21 LEU CB C 13 42.127 0.1 A 21 LEU CD1 C 13 24.055 0.1 A 21 LEU CD2 C 13 22.035 0.1 A 21 LEU CG C 13 26.331 0.1 A 22 SER H H 1 9.351 0.01 A 22 SER HA H 1 4.712 0.01 A 22 SER HBy H 1 3.720 0.01 A 22 SER HBx H 1 3.659 0.01 A 22 SER CB C 13 65.549 0.1 A 23 CYS H H 1 8.690 0.01 A 23 CYS HA H 1 4.888 0.01 A 23 CYS HB2 H 1 3.016 0.01 A 23 CYS HB3 H 1 3.016 0.01 A 23 CYS CA C 13 54.909 0.1 A 23 CYS CB C 13 39.453 0.1 A 24 LYS H H 1 9.202 0.01 A 24 LYS HA H 1 4.868 0.01 A 24 LYS HB2 H 1 1.673 0.01 A 24 LYS HB3 H 1 1.825 0.01 A 24 LYS HD2 H 1 1.622 0.01 A 24 LYS HD3 H 1 1.622 0.01 A 24 LYS HE2 H 1 2.968 0.01 A 24 LYS HE3 H 1 2.968 0.01 A 24 LYS HG2 H 1 1.355 0.01 A 24 LYS HG3 H 1 1.355 0.01 A 24 LYS CA C 13 54.213 0.1 A 24 LYS CB C 13 36.333 0.1 A 24 LYS CD C 13 28.018 0.1 A 24 LYS CE C 13 41.636 0.1 A 24 LYS CG C 13 24.118 0.1 A 25 TYR H H 1 8.912 0.01 A 25 TYR HA H 1 4.167 0.01 A 25 TYR HB2 H 1 2.828 0.01 A 25 TYR HB3 H 1 2.828 0.01 A 25 TYR HD1 H 1 6.796 0.01 A 25 TYR HD2 H 1 6.796 0.01 A 25 TYR HE1 H 1 6.595 0.01 A 25 TYR HE2 H 1 6.595 0.01 A 25 TYR CA C 13 59.208 0.1 A 25 TYR CB C 13 37.979 0.1 A 26 SER H H 1 8.099 0.01 A 26 SER HA H 1 4.597 0.01 A 26 SER HB2 H 1 3.645 0.01 A 26 SER HB3 H 1 3.751 0.01 A 26 SER CB C 13 63.103 0.1 A 27 ILE H H 1 8.475 0.01 A 27 ILE HA H 1 3.795 0.01 A 27 ILE HB H 1 1.844 0.01 A 27 ILE HD1% H 1 0.994 0.01 A 27 ILE HG1y H 1 1.656 0.01 A 27 ILE HG1x H 1 1.308 0.01 A 27 ILE HG2% H 1 0.967 0.01 A 27 ILE CB C 13 37.740 0.1 A 27 ILE CD1 C 13 13.182 0.1 A 27 ILE CG1 C 13 28.179 0.1 A 27 ILE CG2 C 13 16.499 0.1 A 28 LYS H H 1 7.774 0.01 A 28 LYS HA H 1 4.040 0.01 A 28 LYS HB2 H 1 1.662 0.01 A 28 LYS HB3 H 1 1.662 0.01 A 28 LYS HDx H 1 1.625 0.01 A 28 LYS HDy H 1 1.669 0.01 A 28 LYS HE2 H 1 2.939 0.01 A 28 LYS HE3 H 1 2.939 0.01 A 28 LYS HGy H 1 1.417 0.01 A 28 LYS HGx H 1 1.343 0.01 A 28 LYS CA C 13 57.634 0.1 A 28 LYS CB C 13 31.955 0.1 A 28 LYS CD C 13 28.608 0.1 A 28 LYS CE C 13 41.488 0.1 A 28 LYS CG C 13 24.444 0.1 A 29 ARG H H 1 7.301 0.01 A 29 ARG HA H 1 4.195 0.01 A 29 ARG HBx H 1 1.300 0.01 A 29 ARG HBy H 1 1.862 0.01 A 29 ARG HDy H 1 3.130 0.01 A 29 ARG HDx H 1 3.009 0.01 A 29 ARG HGx H 1 1.448 0.01 A 29 ARG HGy H 1 1.590 0.01 A 29 ARG CB C 13 30.228 0.1 A 29 ARG CD C 13 41.788 0.1 A 29 ARG CG C 13 26.040 0.1 A 30 ASN H H 1 8.223 0.01 A 30 ASN HA H 1 4.192 0.01 A 30 ASN HBy H 1 3.226 0.01 A 30 ASN HBx H 1 2.636 0.01 A 30 ASN HD2y H 1 7.587 0.01 A 30 ASN HD2x H 1 6.905 0.01 A 30 ASN CA C 13 54.629 0.1 A 30 ASN CB C 13 36.462 0.1 A 31 LEU H H 1 7.075 0.01 A 31 LEU HA H 1 4.559 0.01 A 31 LEU HB2 H 1 1.271 0.01 A 31 LEU HB3 H 1 1.624 0.01 A 31 LEU HDx% H 1 0.824 0.01 A 31 LEU HDy% H 1 0.718 0.01 A 31 LEU HG H 1 1.576 0.01 A 31 LEU CB C 13 46.311 0.1 A 31 LEU CD1 C 13 25.536 0.1 A 31 LEU CD2 C 13 24.371 0.1 A 31 LEU CG C 13 25.083 0.1 A 32 LYS H H 1 8.248 0.01 A 32 LYS HA H 1 4.734 0.01 A 32 LYS HBx H 1 1.489 0.01 A 32 LYS HBy H 1 1.667 0.01 A 32 LYS HD2 H 1 1.430 0.01 A 32 LYS HE2 H 1 2.318 0.01 A 32 LYS HE3 H 1 2.318 0.01 A 32 LYS HGy H 1 1.163 0.01 A 32 LYS HGx H 1 0.986 0.01 A 32 LYS CB C 13 31.938 0.1 A 32 LYS CD C 13 31.942 0.1 A 32 LYS CE C 13 41.009 0.1 A 32 LYS CG C 13 28.693 0.1 A 33 ILE H H 1 8.480 0.01 A 33 ILE HA H 1 4.992 0.01 A 33 ILE HD1% H 1 0.727 0.01 A 33 ILE HG12 H 1 1.316 0.01 A 33 ILE HG13 H 1 1.316 0.01 A 33 ILE HG2% H 1 0.528 0.01 A 33 ILE CA C 13 58.504 0.1 A 33 ILE CD1 C 13 13.512 0.1 A 33 ILE CG1 C 13 28.277 0.1 A 33 ILE CG2 C 13 17.579 0.1 A 34 CYS H H 1 7.758 0.01 A 34 CYS HA H 1 5.108 0.01 A 34 CYS HBy H 1 3.012 0.01 A 34 CYS HBx H 1 2.599 0.01 A 34 CYS CA C 13 54.418 0.1 A 34 CYS CB C 13 39.191 0.1 A 35 VAL H H 1 9.408 0.01 A 35 VAL HA H 1 4.354 0.01 A 35 VAL HB H 1 2.195 0.01 A 35 VAL HG1% H 1 0.938 0.01 A 35 VAL HG2% H 1 0.938 0.01 A 35 VAL CA C 13 62.445 0.1 A 35 VAL CB C 13 35.083 0.1 A 35 VAL CG1 C 13 21.759 0.1 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 11 TRP HB3 A 12 PHE HD% 1.0 . 4.42 2 2 A 25 TYR HD% A 27 ILE HG1y 1.0 . 3.83 3 3 A 4 ALA HA A 21 LEU HD1% 1.0 . 3.66 4 4 A 6 ASN HA A 33 ILE HD1% 1.0 . 3.26 5 5 A 6 ASN HA A 33 ILE HG12 1.0 . 3.14 6 5 A 6 ASN HA A 33 ILE HG13 1.0 . 3.14 7 6 A 6 ASN HA A 33 ILE HG2% 1.0 . 3.87 8 7 A 25 TYR HA A 32 LYS HA 1.0 . 2.77 9 8 A 12 PHE HD% A 12 PHE HA 1.0 . 3.47 10 9 A 29 ARG H A 29 ARG HGy 1.0 . 3.24 11 10 A 29 ARG H A 26 SER HB2 1.0 . 3.66 12 11 A 29 ARG H A 29 ARG HGx 1.0 . 3.37 13 12 A 29 ARG H A 29 ARG HBy 1.0 . 3.60 14 13 A 22 SER H A 22 SER HBx 1.0 . 3.38 15 14 A 22 SER H A 21 LEU HA 1.0 . 2.70 16 15 A 22 SER H A 21 LEU HD2% 1.0 . 3.88 17 16 A 22 SER H A 21 LEU HBy 1.0 . 3.63 18 17 A 22 SER H A 22 SER HBy 1.0 . 3.42 19 18 A 11 TRP HB2 A 11 TRP HE3 1.0 . 3.14 20 19 A 11 TRP HB3 A 11 TRP HE3 1.0 . 3.84 21 20 A 26 SER HA A 27 ILE H 1.0 . 2.68 22 21 A 27 ILE H A 28 LYS H 1.0 . 3.28 23 22 A 27 ILE H A 27 ILE HB 1.0 . 3.02 24 23 A 27 ILE HA A 27 ILE HG1y 1.0 . 2.91 25 24 A 13 SER H A 13 SER HBy 1.0 . 3.61 26 25 A 7 LYS HA A 7 LYS HBx 1.0 . 3.02 27 26 A 29 ARG H A 28 LYS H 1.0 . 3.15 28 27 A 28 LYS H A 27 ILE HA 1.0 . 3.51 29 28 A 28 LYS H A 27 ILE HB 1.0 . 3.57 30 29 A 28 LYS H A 28 LYS HGy 1.0 . 3.22 31 30 A 28 LYS H A 27 ILE HD1% 1.0 . 3.10 32 31 A 23 CYS HA A 35 VAL H 1.0 . 4.10 33 32 A 35 VAL H A 21 LEU HBx 1.0 . 3.46 34 33 A 21 LEU HD2% A 35 VAL H 1.0 . 4.23 35 34 A 35 VAL H A 35 VAL HB 1.0 . 3.93 36 35 A 35 VAL H A 34 CYS HA 1.0 . 2.58 37 36 A 35 VAL H A 35 VAL HG1% 1.0 . 2.86 38 36 A 35 VAL H A 35 VAL HG2% 1.0 . 2.86 39 37 A 4 ALA HA A 18 CYS HB2 1.0 . 3.74 40 38 A 11 TRP HB2 A 11 TRP H 1.0 . 3.37 41 39 A 11 TRP H A 10 ALA HB% 1.0 . 3.46 42 40 A 11 TRP HB3 A 11 TRP H 1.0 . 3.79 43 41 A 11 TRP H A 10 ALA HA 1.0 . 2.63 44 42 A 11 TRP HE1 A 24 LYS HA 1.0 . 4.16 45 43 A 3 ILE HG2% A 6 ASN H 1.0 . 3.63 46 44 A 3 ILE HA A 4 ALA H 1.0 . 2.45 47 45 A 3 ILE HA A 3 ILE HD1% 1.0 . 3.62 48 46 A 4 ALA HA A 18 CYS H 1.0 . 4.20 49 47 A 18 CYS H A 17 CYS HB3 1.0 . 3.19 50 48 A 18 CYS H A 18 CYS HB3 1.0 . 3.92 51 49 A 18 CYS H A 3 ILE H 1.0 . 3.60 52 50 A 18 CYS H A 3 ILE HB 1.0 . 3.72 53 51 A 18 CYS H A 2 CYS HB2 1.0 . 3.21 54 51 A 18 CYS H A 2 CYS HB3 1.0 . 3.21 55 52 A 18 CYS H A 17 CYS HA 1.0 . 2.66 56 53 A 24 LYS H A 24 LYS HB2 1.0 . 3.08 57 54 A 24 LYS H A 24 LYS HG2 1.0 . 3.53 58 54 A 24 LYS H A 24 LYS HG3 1.0 . 3.53 59 55 A 34 CYS HA A 24 LYS H 1.0 . 4.14 60 56 A 24 LYS H A 35 VAL HG1% 1.0 . 3.65 61 56 A 35 VAL HG2% A 24 LYS H 1.0 . 3.65 62 57 A 24 LYS H A 24 LYS HB3 1.0 . 3.92 63 58 A 10 ALA HB% A 10 ALA H 1.0 . 3.01 64 59 A 3 ILE HD1% A 10 ALA H 1.0 . 3.90 65 60 A 10 ALA H A 9 CYS HA 1.0 . 2.86 66 61 A 15 GLU H A 15 GLU HBx 1.0 . 2.92 67 62 A 15 GLU H A 15 GLU HBy 1.0 . 3.76 68 63 A 15 GLU H A 14 GLY HA2 1.0 . 3.37 69 64 A 15 GLU H A 15 GLU HGy 1.0 . 3.28 70 65 A 3 ILE HD1% A 15 GLU H 1.0 . 3.64 71 66 A 15 GLU H A 14 GLY HA3 1.0 . 3.20 72 67 A 15 GLU H A 15 GLU HGx 1.0 . 3.43 73 68 A 18 CYS HB2 A 19 GLY H 1.0 . 4.12 74 69 A 18 CYS HB3 A 19 GLY H 1.0 . 3.27 75 70 A 19 GLY H A 18 CYS HA 1.0 . 2.77 76 71 A 15 GLU HBx A 16 TRP H 1.0 . 3.32 77 72 A 31 LEU H A 31 LEU HDy% 1.0 . 4.21 78 73 A 31 LEU H A 30 ASN HA 1.0 . 3.08 79 74 A 31 LEU H A 31 LEU HB3 1.0 . 3.75 80 75 A 26 SER HB2 A 31 LEU H 1.0 . 3.60 81 76 A 31 LEU H A 26 SER H 1.0 . 3.54 82 77 A 31 LEU H A 31 LEU HG 1.0 . 3.49 83 78 A 6 ASN HBy A 6 ASN HD2x 1.0 . 3.74 84 79 A 25 TYR HD% A 25 TYR HA 1.0 . 3.06 85 80 A 25 TYR HD% A 26 SER H 1.0 . 3.92 86 81 A 25 TYR HD% A 32 LYS HD2 1.0 . 3.22 87 82 A 3 ILE HG2% A 34 CYS H 1.0 . 3.23 88 83 A 34 CYS H A 33 ILE HA 1.0 . 2.75 89 84 A 34 CYS H A 34 CYS HBx 1.0 . 3.72 90 85 A 34 CYS H A 33 ILE HG12 1.0 . 2.82 91 85 A 33 ILE HG13 A 34 CYS H 1.0 . 2.82 92 86 A 34 CYS H A 34 CYS HBy 1.0 . 2.83 93 87 A 33 ILE HG2% A 34 CYS H 1.0 . 3.79 94 88 A 6 ASN HD2x A 6 ASN HBx 1.0 . 3.92 95 89 A 21 LEU HBy A 24 LYS HE2 1.0 . 2.69 96 89 A 21 LEU HBy A 24 LYS HE3 1.0 . 2.69 97 90 A 17 CYS HB3 A 17 CYS H 1.0 . 3.64 98 91 A 17 CYS HB3 A 17 CYS HA 1.0 . 2.98 99 92 A 8 GLU HA A 9 CYS H 1.0 . 2.62 100 93 A 9 CYS H A 32 LYS HBy 1.0 . 3.71 101 94 A 9 CYS H A 8 GLU HBx 1.0 . 4.10 102 95 A 33 ILE HA A 9 CYS H 1.0 . 3.24 103 96 A 9 CYS H A 8 GLU HBy 1.0 . 3.75 104 97 A 33 ILE HG2% A 9 CYS H 1.0 . 4.06 105 98 A 4 ALA H A 7 LYS HD2 1.0 . 4.16 106 98 A 4 ALA H A 7 LYS HD3 1.0 . 4.16 107 99 A 3 ILE HG2% A 4 ALA H 1.0 . 3.08 108 100 A 4 ALA H A 7 LYS HBy 1.0 . 3.78 109 101 A 4 ALA H A 4 ALA HB% 1.0 . 2.69 110 102 A 6 ASN HA A 6 ASN H 1.0 . 2.63 111 103 A 6 ASN H A 34 CYS H 1.0 . 3.17 112 104 A 6 ASN H A 33 ILE HG12 1.0 . 3.72 113 104 A 33 ILE HG13 A 6 ASN H 1.0 . 3.72 114 105 A 6 ASN H A 6 ASN HBy 1.0 . 4.17 115 106 A 24 LYS HA A 25 TYR H 1.0 . 2.43 116 107 A 24 LYS HB3 A 25 TYR H 1.0 . 3.27 117 108 A 25 TYR H A 25 TYR HB2 1.0 . 2.63 118 108 A 25 TYR H A 25 TYR HB3 1.0 . 2.63 119 109 A 15 GLU HBy A 16 TRP H 1.0 . 2.83 120 110 A 35 VAL HA A 35 VAL HG1% 1.0 . 3.41 121 110 A 35 VAL HG2% A 35 VAL HA 1.0 . 3.41 122 111 A 16 TRP HB2 A 16 TRP HE3 1.0 . 3.67 123 112 A 16 TRP HE3 A 16 TRP HB3 1.0 . 3.87 124 113 A 27 ILE HA A 27 ILE HG1x 1.0 . 3.84 125 113 A 27 ILE HA A 27 ILE HG1y 1.0 . 3.84 126 114 A 27 ILE HA A 27 ILE HG2% 1.0 . 3.04 127 115 A 25 TYR HA A 26 SER H 1.0 . 2.49 128 116 A 32 LYS HA A 26 SER H 1.0 . 3.19 129 117 A 26 SER HB2 A 26 SER H 1.0 . 2.91 130 118 A 26 SER H A 26 SER HB3 1.0 . 3.39 131 119 A 26 SER H A 25 TYR HB2 1.0 . 4.00 132 119 A 26 SER H A 25 TYR HB3 1.0 . 4.00 133 120 A 7 LYS HBy A 8 GLU H 1.0 . 3.85 134 121 A 8 GLU HBx A 8 GLU H 1.0 . 3.92 135 122 A 22 SER HBx A 23 CYS H 1.0 . 3.40 136 123 A 23 CYS H A 22 SER HA 1.0 . 2.83 137 124 A 31 LEU HDy% A 8 GLU H 1.0 . 5.26 138 125 A 7 LYS HBx A 8 GLU H 1.0 . 2.93 139 126 A 3 ILE HG2% A 8 GLU H 1.0 . 4.57 140 127 A 7 LYS HA A 8 GLU H 1.0 . 2.63 141 128 A 8 GLU H A 8 GLU HGy 1.0 . 2.67 142 129 A 8 GLU HBy A 8 GLU H 1.0 . 3.52 143 130 A 33 ILE HG2% A 8 GLU H 1.0 . 4.27 144 131 A 3 ILE H A 2 CYS HB2 1.0 . 2.92 145 131 A 3 ILE H A 2 CYS HB3 1.0 . 2.92 146 132 A 3 ILE H A 2 CYS HA 1.0 . 2.52 147 133 A 3 ILE H A 3 ILE HB 1.0 . 2.76 148 134 A 3 ILE HD1% A 3 ILE H 1.0 . 3.68 149 135 A 3 ILE H A 17 CYS HA 1.0 . 3.10 150 136 A 31 LEU HDy% A 32 LYS H 1.0 . 3.89 151 137 A 32 LYS HBy A 32 LYS H 1.0 . 2.74 152 138 A 32 LYS H A 31 LEU HB2 1.0 . 2.95 153 139 A 32 LYS HD2 A 32 LYS H 1.0 . 3.09 154 140 A 32 LYS H A 31 LEU HA 1.0 . 2.75 155 141 A 33 ILE HG2% A 32 LYS H 1.0 . 4.74 156 142 A 13 SER H A 12 PHE HBy 1.0 . 4.46 157 143 A 13 SER H A 10 ALA HB% 1.0 . 4.01 158 144 A 12 PHE HA A 13 SER H 1.0 . 3.24 159 145 A 19 GLY H A 19 GLY HA2 1.0 . 2.76 160 146 A 33 ILE HA A 33 ILE HG12 1.0 . 3.67 161 146 A 33 ILE HG13 A 33 ILE HA 1.0 . 3.67 162 147 A 33 ILE HG2% A 33 ILE HA 1.0 . 3.52 163 148 A 21 LEU HA A 21 LEU HD2% 1.0 . 3.48 164 149 A 30 ASN HBy A 30 ASN HD2x 1.0 . 3.80 165 150 A 35 VAL H A 34 CYS HBx 1.0 . 3.76 166 151 A 21 LEU HBx A 34 CYS HBx 1.0 . 3.07 167 152 A 20 ALA H A 21 LEU HG 1.0 . 4.19 168 153 A 20 ALA H A 20 ALA HB% 1.0 . 3.10 169 154 A 20 ALA H A 19 GLY HA3 1.0 . 2.60 170 155 A 20 ALA H A 21 LEU H 1.0 . 3.18 171 156 A 29 ARG H A 30 ASN H 1.0 . 2.89 172 157 A 31 LEU H A 30 ASN H 1.0 . 3.10 173 158 A 27 ILE HA A 30 ASN H 1.0 . 3.90 174 159 A 30 ASN H A 30 ASN HBx 1.0 . 3.62 175 160 A 30 ASN HBy A 30 ASN H 1.0 . 3.92 176 161 A 17 CYS H A 16 TRP HB2 1.0 . 3.42 177 162 A 17 CYS H A 16 TRP HA 1.0 . 2.76 178 163 A 17 CYS H A 16 TRP HB3 1.0 . 3.15 179 164 A 17 CYS H A 17 CYS HB2 1.0 . 2.94 180 165 A 6 ASN HA A 7 LYS H 1.0 . 3.55 181 166 A 7 LYS H A 7 LYS HGx 1.0 . 3.37 182 167 A 3 ILE HG2% A 7 LYS H 1.0 . 3.19 183 168 A 6 ASN H A 7 LYS H 1.0 . 3.14 184 169 A 7 LYS H A 7 LYS HGy 1.0 . 3.18 185 170 A 7 LYS HBy A 7 LYS H 1.0 . 2.79 186 171 A 6 ASN HBy A 6 ASN HD2y 1.0 . 3.15 187 172 A 29 ARG H A 28 LYS HDy 1.0 . 3.42 188 173 A 3 ILE HG2% A 9 CYS HB2 1.0 . 3.26 189 173 A 3 ILE HG2% A 9 CYS HB3 1.0 . 3.26 190 174 A 3 ILE HD1% A 9 CYS HB2 1.0 . 3.07 191 174 A 3 ILE HD1% A 9 CYS HB3 1.0 . 3.07 192 175 A 9 CYS HA A 9 CYS HB2 1.0 . 2.58 193 175 A 9 CYS HA A 9 CYS HB3 1.0 . 2.58 194 176 A 22 SER HBy A 23 CYS H 1.0 . 3.04 195 177 A 32 LYS HGy A 32 LYS HE2 1.0 . 3.01 196 177 A 32 LYS HGy A 32 LYS HE3 1.0 . 3.01 197 178 A 32 LYS HGx A 32 LYS HE2 1.0 . 3.25 198 178 A 32 LYS HE3 A 32 LYS HGx 1.0 . 3.25 199 179 A 29 ARG HGx A 29 ARG HA 1.0 . 3.15 200 180 A 29 ARG HGx A 29 ARG HBy 1.0 . 2.84 201 181 A 7 LYS HA A 7 LYS HD2 1.0 . 3.09 202 181 A 7 LYS HA A 7 LYS HD3 1.0 . 3.09 203 182 A 8 GLU H A 7 LYS HD2 1.0 . 4.07 204 182 A 7 LYS HD3 A 8 GLU H 1.0 . 4.07 205 183 A 2 CYS H A 2 CYS HB2 1.0 . 3.65 206 183 A 2 CYS HB3 A 2 CYS H 1.0 . 3.65 207 184 A 11 TRP HA A 11 TRP HD1 1.0 . 3.27 208 185 A 16 TRP H A 16 TRP HB2 1.0 . 3.15 209 186 A 16 TRP H A 16 TRP HB3 1.0 . 3.83 210 187 A 16 TRP H A 15 GLU HA 1.0 . 2.68 211 188 A 11 TRP HB2 A 12 PHE H 1.0 . 3.38 212 189 A 12 PHE HBy A 12 PHE H 1.0 . 3.83 213 190 A 11 TRP HB3 A 12 PHE H 1.0 . 3.86 214 191 A 11 TRP HA A 12 PHE H 1.0 . 3.20 215 192 A 12 PHE H A 12 PHE HBx 1.0 . 3.33 216 193 A 11 TRP HE1 A 23 CYS HB2 1.0 . 3.56 217 193 A 11 TRP HE1 A 23 CYS HB3 1.0 . 3.56 218 194 A 24 LYS H A 23 CYS HB2 1.0 . 3.92 219 194 A 24 LYS H A 23 CYS HB3 1.0 . 3.92 220 195 A 23 CYS H A 23 CYS HB2 1.0 . 2.69 221 195 A 23 CYS H A 23 CYS HB3 1.0 . 2.69 222 196 A 16 TRP H A 16 TRP HD1 1.0 . 4.09 223 197 A 25 TYR HA A 33 ILE H 1.0 . 3.82 224 198 A 32 LYS HA A 33 ILE H 1.0 . 2.54 225 199 A 33 ILE HG2% A 33 ILE H 1.0 . 3.74 226 200 A 33 ILE H A 32 LYS HBx 1.0 . 3.50 227 201 A 21 LEU HBx A 21 LEU H 1.0 . 3.67 228 202 A 21 LEU HG A 21 LEU H 1.0 . 2.77 229 203 A 21 LEU HD2% A 21 LEU H 1.0 . 3.83 230 204 A 20 ALA HB% A 21 LEU H 1.0 . 3.63 231 205 A 21 LEU HD1% A 21 LEU H 1.0 . 3.86 232 206 A 30 ASN HBx A 30 ASN HD2y 1.0 . 3.91 233 207 A 13 SER H A 12 PHE HBx 1.0 . 4.20 234 208 A 27 ILE HG1y A 25 TYR HE% 1.0 . 3.96 235 209 A 25 TYR HE% A 27 ILE HG1x 1.0 . 3.62 236 209 A 27 ILE HG1y A 25 TYR HE% 1.0 . 3.62 237 210 A 27 ILE HA A 25 TYR HE% 1.0 . 3.28 238 211 A 27 ILE HB A 25 TYR HE% 1.0 . 3.94 239 212 A 27 ILE HD1% A 25 TYR HE% 1.0 . 3.49 240 213 A 24 LYS H A 24 LYS HD2 1.0 . 3.69 241 213 A 24 LYS H A 24 LYS HD3 1.0 . 3.69 242 214 A 28 LYS H A 28 LYS HB2 1.0 . 2.97 243 214 A 28 LYS H A 28 LYS HB3 1.0 . 2.97 244 215 A 18 CYS H A 17 CYS HB2 1.0 . 3.38 245 216 A 30 ASN HBy A 30 ASN HD2y 1.0 . 3.28 246 217 A 3 ILE HD1% A 9 CYS HA 1.0 . 4.48 247 218 A 25 TYR HA A 25 TYR HB2 1.0 . 2.84 248 218 A 25 TYR HA A 25 TYR HB3 1.0 . 2.84 249 219 A 13 SER H A 12 PHE H 1.0 . 3.34 250 220 A 15 GLU H A 14 GLY H 1.0 . 2.93 251 221 A 16 TRP H A 17 CYS H 1.0 . 4.32 252 222 A 27 ILE H A 26 SER H 1.0 . 3.98 253 223 A 28 LYS H A 30 ASN H 1.0 . 4.20 254 224 A 35 VAL H A 24 LYS H 1.0 . 4.12 255 225 A 32 LYS HBy A 33 ILE H 1.0 . 3.15 256 226 A 27 ILE H A 27 ILE HG1y 1.0 . 0.00 257 227 A 30 ASN HA A 30 ASN H 1.0 . 2.56 258 228 A 30 ASN H A 29 ARG HA 1.0 . 0.00 259 229 A 18 CYS HB2 A 18 CYS H 1.0 . 3.13 260 230 A 18 CYS H A 17 CYS HB2 1.0 . 0.00 261 231 A 31 LEU H A 31 LEU HB2 1.0 . 3.18 262 232 A 31 LEU H A 27 ILE HG1x 1.0 . 0.00 263 232 A 31 LEU H A 27 ILE HG1y 1.0 . 0.00 264 233 A 3 ILE H A 3 ILE HB 1.0 . 2.76 265 234 A 24 LYS HB2 A 25 TYR H 1.0 . 0.00 266 235 A 27 ILE H A 27 ILE HD1% 1.0 . 2.90 267 236 A 27 ILE H A 27 ILE HG2% 1.0 . 0.00 268 237 A 33 ILE H A 33 ILE HG12 1.0 . 3.27 269 237 A 33 ILE HG13 A 33 ILE H 1.0 . 3.27 270 238 A 27 ILE H A 27 ILE HG1x 1.0 . 0.00 271 238 A 27 ILE H A 27 ILE HG1y 1.0 . 0.00 272 239 A 31 LEU HDy% A 33 ILE H 1.0 . 4.02 273 240 A 33 ILE HD1% A 33 ILE H 1.0 . 0.00 274 241 A 10 ALA H A 9 CYS HB2 1.0 . 2.86 275 241 A 10 ALA H A 9 CYS HB3 1.0 . 2.86 276 242 A 9 CYS H A 9 CYS HB2 1.0 . 0.00 277 242 A 9 CYS H A 9 CYS HB3 1.0 . 0.00 278 243 A 13 SER HBy A 14 GLY H 1.0 . 3.53 279 244 A 13 SER H A 13 SER HBy 1.0 . 0.00 280 245 A 14 GLY H A 13 SER HBx 1.0 . 2.87 281 246 A 13 SER H A 13 SER HBx 1.0 . 0.00 282 247 A 14 GLY HA2 A 14 GLY H 1.0 . 0.00 283 248 A 28 LYS H A 28 LYS HDy 1.0 . 2.69 284 249 A 28 LYS H A 28 LYS HB2 1.0 . 0.00 285 249 A 28 LYS H A 28 LYS HB3 1.0 . 0.00 286 250 A 29 ARG H A 29 ARG HBx 1.0 . 2.90 287 251 A 29 ARG H A 28 LYS HGx 1.0 . 0.00 288 252 A 29 ARG H A 28 LYS HB2 1.0 . 3.11 289 252 A 29 ARG H A 28 LYS HB3 1.0 . 3.11 290 253 A 29 ARG H A 28 LYS HDy 1.0 . 0.00 291 254 A 3 ILE HG2% A 3 ILE HA 1.0 . 2.67 292 255 A 3 ILE HA A 3 ILE HG1x 1.0 . 0.00 293 256 A 4 ALA HA A 4 ALA H 1.0 . 2.60 294 257 A 3 ILE HA A 4 ALA H 1.0 . 0.00 295 258 A 25 TYR H A 24 LYS HG2 1.0 . 2.89 296 258 A 24 LYS HG3 A 25 TYR H 1.0 . 2.89 297 259 A 3 ILE H A 3 ILE HG1x 1.0 . 0.00 298 260 A 9 CYS H A 8 GLU HGy 1.0 . 3.30 299 261 A 9 CYS H A 8 GLU HGx 1.0 . 0.00 300 262 A 5 LYS H A 5 LYS HB2 1.0 . 2.48 301 262 A 5 LYS H A 5 LYS HB3 1.0 . 2.48 302 263 A 5 LYS H A 5 LYS HDx 1.0 . 0.00 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type upper-bound-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 9 CYS SG A 23 CYS SG 1.0 . 2.1 2 2 A 9 CYS SG A 23 CYS CB 1.0 . 3.1 3 3 A 23 CYS SG A 9 CYS CB 1.0 . 3.1 4 4 A 2 CYS SG A 18 CYS SG 1.0 . 2.1 5 5 A 2 CYS SG A 18 CYS CB 1.0 . 3.1 6 6 A 18 CYS SG A 2 CYS CB 1.0 . 3.1 7 7 A 17 CYS SG A 34 CYS SG 1.0 . 2.1 8 8 A 17 CYS SG A 34 CYS CB 1.0 . 3.1 9 9 A 34 CYS SG A 17 CYS CB 1.0 . 3.1 stop_ save_ save_DYANA/DIANA_distance_constraints_6 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_6 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type upper-bound-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 9 CYS SG A 23 CYS SG 1.0 . 2.0 2 2 A 9 CYS SG A 23 CYS CB 1.0 . 3.0 3 3 A 23 CYS SG A 9 CYS CB 1.0 . 3.0 4 4 A 2 CYS SG A 18 CYS SG 1.0 . 2.0 5 5 A 2 CYS SG A 18 CYS CB 1.0 . 3.0 6 6 A 18 CYS SG A 2 CYS CB 1.0 . 3.0 7 7 A 17 CYS SG A 34 CYS SG 1.0 . 2.0 8 8 A 17 CYS SG A 34 CYS CB 1.0 . 3.0 9 9 A 34 CYS SG A 17 CYS CB 1.0 . 3.0 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-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 6 ASN H A 4 ALA O 1.0 . 2.3 2 2 A 4 ALA O A 6 ASN N 1.0 . 3.3 3 3 A 9 CYS H A 32 LYS O 1.0 . 2.3 4 4 A 32 LYS O A 9 CYS N 1.0 . 3.3 5 5 A 24 LYS H A 33 ILE O 1.0 . 2.3 6 6 A 33 ILE O A 24 LYS N 1.0 . 3.3 7 7 A 26 SER H A 31 LEU O 1.0 . 2.3 8 8 A 31 LEU O A 26 SER N 1.0 . 3.3 9 9 A 30 ASN H A 27 ILE O 1.0 . 2.3 10 10 A 27 ILE O A 30 ASN N 1.0 . 3.3 11 11 A 31 LEU H A 26 SER O 1.0 . 2.3 12 12 A 26 SER O A 31 LEU N 1.0 . 3.3 13 13 A 33 ILE H A 24 LYS O 1.0 . 2.3 14 14 A 24 LYS O A 33 ILE N 1.0 . 3.3 15 15 A 21 LEU H A 18 CYS O 1.0 . 2.3 16 16 A 18 CYS O A 21 LEU N 1.0 . 3.3 17 17 A 18 CYS H A 3 ILE O 1.0 . 2.3 18 18 A 3 ILE O A 18 CYS N 1.0 . 3.3 19 19 A 34 CYS H A 7 LYS O 1.0 . 2.3 20 20 A 7 LYS O A 34 CYS N 1.0 . 3.3 21 21 A 35 VAL H A 22 SER O 1.0 . 2.3 22 22 A 22 SER O A 35 VAL N 1.0 . 3.3 23 23 A 3 ILE H A 16 TRP O 1.0 . 2.3 24 24 A 16 TRP O A 3 ILE N 1.0 . 3.3 25 25 A 13 SER H A 10 ALA O 1.0 . 2.3 26 26 A 10 ALA O A 13 SER N 1.0 . 3.3 stop_ save_ save_DYANA/DIANA_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_5 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-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 6 ASN H A 4 ALA O 1.0 . 1.8 2 2 A 4 ALA O A 6 ASN N 1.0 . 2.7 3 3 A 9 CYS H A 32 LYS O 1.0 . 1.8 4 4 A 32 LYS O A 9 CYS N 1.0 . 2.7 5 5 A 24 LYS H A 33 ILE O 1.0 . 1.8 6 6 A 33 ILE O A 24 LYS N 1.0 . 2.7 7 7 A 26 SER H A 31 LEU O 1.0 . 1.8 8 8 A 31 LEU O A 26 SER N 1.0 . 2.7 9 9 A 30 ASN H A 27 ILE O 1.0 . 1.8 10 10 A 27 ILE O A 30 ASN N 1.0 . 2.7 11 11 A 31 LEU H A 26 SER O 1.0 . 1.8 12 12 A 26 SER O A 31 LEU N 1.0 . 2.7 13 13 A 33 ILE H A 24 LYS O 1.0 . 1.8 14 14 A 24 LYS O A 33 ILE N 1.0 . 2.7 15 15 A 21 LEU H A 18 CYS O 1.0 . 1.8 16 16 A 18 CYS O A 21 LEU N 1.0 . 2.7 17 17 A 18 CYS H A 3 ILE O 1.0 . 1.8 18 18 A 3 ILE O A 18 CYS N 1.0 . 2.7 19 19 A 34 CYS H A 7 LYS O 1.0 . 1.8 20 20 A 7 LYS O A 34 CYS N 1.0 . 2.7 21 21 A 35 VAL H A 22 SER O 1.0 . 1.8 22 22 A 22 SER O A 35 VAL N 1.0 . 2.7 23 23 A 3 ILE H A 16 TRP O 1.0 . 1.8 24 24 A 16 TRP O A 3 ILE N 1.0 . 2.7 25 25 A 13 SER H A 10 ALA O 1.0 . 1.8 26 26 A 10 ALA O A 13 SER N 1.0 . 2.7 stop_ save_ save_DYANA/DIANA_dihedral_7 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_7 _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 1 GLY C A 2 CYS N A 2 CYS CA A 2 CYS C 1.0 -170.0 -130.0 PHI 2 2 A 2 CYS C A 3 ILE N A 3 ILE CA A 3 ILE C 1.0 -150.0 -90.0 PHI 3 3 A 3 ILE C A 4 ALA N A 4 ALA CA A 4 ALA C 1.0 -120.0 -80.0 PHI 4 4 A 5 LYS C A 6 ASN N A 6 ASN CA A 6 ASN C 1.0 -180.0 -70.0 PHI 5 5 A 5 LYS C A 6 ASN N A 6 ASN CA A 6 ASN C 1.0 -100.0 220.0 PHI 6 6 A 6 ASN C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -150.0 -90.0 PHI 7 7 A 7 LYS C A 8 GLU N A 8 GLU CA A 8 GLU C 1.0 -80.0 -40.0 PHI 8 8 A 8 GLU C A 9 CYS N A 9 CYS CA A 9 CYS C 1.0 -150.0 -90.0 PHI 9 9 A 9 CYS C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -120.0 -80.0 PHI 10 10 A 10 ALA C A 11 TRP N A 11 TRP CA A 11 TRP C 1.0 -80.0 -40.0 PHI 11 11 A 13 SER C A 14 GLY N A 14 GLY CA A 14 GLY C 1.0 30.0 90.0 PHI 12 12 A 14 GLY C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -150.0 -90.0 PHI 13 13 A 15 GLU C A 16 TRP N A 16 TRP CA A 16 TRP C 1.0 -150.0 -90.0 PHI 14 14 A 16 TRP C A 17 CYS N A 17 CYS CA A 17 CYS C 1.0 -80.0 -40.0 PHI 15 15 A 18 CYS C A 19 GLY N A 19 GLY CA A 19 GLY C 1.0 30.0 90.0 PHI 16 16 A 17 CYS C A 18 CYS N A 18 CYS CA A 18 CYS C 1.0 -80.0 -40.0 PHI 17 17 A 19 GLY C A 20 ALA N A 20 ALA CA A 20 ALA C 1.0 -150.0 -120.0 PHI 18 18 A 21 LEU C A 22 SER N A 22 SER CA A 22 SER C 1.0 -110.0 -70.0 PHI 19 19 A 22 SER C A 23 CYS N A 23 CYS CA A 23 CYS C 1.0 -100.0 -70.0 PHI 20 20 A 23 CYS C A 24 LYS N A 24 LYS CA A 24 LYS C 1.0 -150.0 -90.0 PHI 21 21 A 24 LYS C A 25 TYR N A 25 TYR CA A 25 TYR C 1.0 -80.0 -40.0 PHI 22 22 A 25 TYR C A 26 SER N A 26 SER CA A 26 SER C 1.0 -150.0 -90.0 PHI 23 23 A 26 SER C A 27 ILE N A 27 ILE CA A 27 ILE C 1.0 -80.0 -40.0 PHI 24 24 A 27 ILE C A 28 LYS N A 28 LYS CA A 28 LYS C 1.0 -80.0 -40.0 PHI 25 25 A 28 LYS C A 29 ARG N A 29 ARG CA A 29 ARG C 1.0 -150.0 -90.0 PHI 26 26 A 30 ASN C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -180.0 -70.0 PHI 27 27 A 30 ASN C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -100.0 220.0 PHI 28 28 A 31 LEU C A 32 LYS N A 32 LYS CA A 32 LYS C 1.0 -150.0 -90.0 PHI 29 29 A 32 LYS C A 33 ILE N A 33 ILE CA A 33 ILE C 1.0 -150.0 -90.0 PHI 30 30 A 33 ILE C A 34 CYS N A 34 CYS CA A 34 CYS C 1.0 -180.0 -70.0 PHI 31 31 A 33 ILE C A 34 CYS N A 34 CYS CA A 34 CYS C 1.0 -100.0 220.0 PHI 32 32 A 34 CYS C A 35 VAL N A 35 VAL CA A 35 VAL C 1.0 -150.0 -90.0 PHI 33 33 A 2 CYS N A 2 CYS CA A 2 CYS CB A 2 CYS SG 1.0 -90.0 210.0 CHI1 34 34 A 2 CYS N A 2 CYS CA A 2 CYS CB A 2 CYS SG 1.0 -330.0 -30.0 CHI1 35 35 A 2 CYS N A 2 CYS CA A 2 CYS CB A 2 CYS SG 1.0 -210.0 90.0 CHI1 36 36 A 3 ILE N A 3 ILE CA A 3 ILE CB A 3 ILE CG1 1.0 -90.0 210.0 CHI1 37 37 A 3 ILE N A 3 ILE CA A 3 ILE CB A 3 ILE CG1 1.0 -330.0 -30.0 CHI1 38 38 A 3 ILE N A 3 ILE CA A 3 ILE CB A 3 ILE CG1 1.0 -210.0 90.0 CHI1 39 39 A 5 LYS N A 5 LYS CA A 5 LYS CB A 5 LYS CG 1.0 -90.0 210.0 CHI1 40 40 A 5 LYS N A 5 LYS CA A 5 LYS CB A 5 LYS CG 1.0 -330.0 -30.0 CHI1 41 41 A 5 LYS N A 5 LYS CA A 5 LYS CB A 5 LYS CG 1.0 -210.0 90.0 CHI1 42 42 A 6 ASN N A 6 ASN CA A 6 ASN CB A 6 ASN CG 1.0 -210.0 -150.0 CHI1 43 43 A 7 LYS N A 7 LYS CA A 7 LYS CB A 7 LYS CG 1.0 -90.0 -30.0 CHI1 44 44 A 8 GLU N A 8 GLU CA A 8 GLU CB A 8 GLU CG 1.0 30.0 90.0 CHI1 45 45 A 9 CYS N A 9 CYS CA A 9 CYS CB A 9 CYS SG 1.0 -90.0 210.0 CHI1 46 46 A 9 CYS N A 9 CYS CA A 9 CYS CB A 9 CYS SG 1.0 -330.0 -30.0 CHI1 47 47 A 9 CYS N A 9 CYS CA A 9 CYS CB A 9 CYS SG 1.0 -210.0 90.0 CHI1 48 48 A 11 TRP N A 11 TRP CA A 11 TRP CB A 11 TRP CG 1.0 -90.0 -30.0 CHI1 49 49 A 12 PHE N A 12 PHE CA A 12 PHE CB A 12 PHE CG 1.0 -210.0 -150.0 CHI1 50 50 A 13 SER N A 13 SER CA A 13 SER CB A 13 SER OG 1.0 30.0 90.0 CHI1 51 51 A 15 GLU N A 15 GLU CA A 15 GLU CB A 15 GLU CG 1.0 30.0 90.0 CHI1 52 52 A 16 TRP N A 16 TRP CA A 16 TRP CB A 16 TRP CG 1.0 -90.0 -30.0 CHI1 53 53 A 17 CYS N A 17 CYS CA A 17 CYS CB A 17 CYS SG 1.0 -90.0 -30.0 CHI1 54 54 A 18 CYS N A 18 CYS CA A 18 CYS CB A 18 CYS SG 1.0 -90.0 -30.0 CHI1 55 55 A 21 LEU N A 21 LEU CA A 21 LEU CB A 21 LEU CG 1.0 -90.0 -30.0 CHI1 56 56 A 22 SER N A 22 SER CA A 22 SER CB A 22 SER OG 1.0 -90.0 210.0 CHI1 57 57 A 22 SER N A 22 SER CA A 22 SER CB A 22 SER OG 1.0 -330.0 -30.0 CHI1 58 58 A 22 SER N A 22 SER CA A 22 SER CB A 22 SER OG 1.0 -210.0 90.0 CHI1 59 59 A 23 CYS N A 23 CYS CA A 23 CYS CB A 23 CYS SG 1.0 -90.0 210.0 CHI1 60 60 A 23 CYS N A 23 CYS CA A 23 CYS CB A 23 CYS SG 1.0 -330.0 -30.0 CHI1 61 61 A 23 CYS N A 23 CYS CA A 23 CYS CB A 23 CYS SG 1.0 -210.0 90.0 CHI1 62 62 A 24 LYS N A 24 LYS CA A 24 LYS CB A 24 LYS CG 1.0 -90.0 -30.0 CHI1 63 63 A 25 TYR N A 25 TYR CA A 25 TYR CB A 25 TYR CG 1.0 -90.0 210.0 CHI1 64 64 A 25 TYR N A 25 TYR CA A 25 TYR CB A 25 TYR CG 1.0 -330.0 -30.0 CHI1 65 65 A 25 TYR N A 25 TYR CA A 25 TYR CB A 25 TYR CG 1.0 -210.0 90.0 CHI1 66 66 A 26 SER N A 26 SER CA A 26 SER CB A 26 SER OG 1.0 -90.0 -30.0 CHI1 67 67 A 27 ILE N A 27 ILE CA A 27 ILE CB A 27 ILE CG1 1.0 -90.0 210.0 CHI1 68 68 A 27 ILE N A 27 ILE CA A 27 ILE CB A 27 ILE CG1 1.0 -330.0 -30.0 CHI1 69 69 A 27 ILE N A 27 ILE CA A 27 ILE CB A 27 ILE CG1 1.0 -210.0 90.0 CHI1 70 70 A 28 LYS N A 28 LYS CA A 28 LYS CB A 28 LYS CG 1.0 -90.0 210.0 CHI1 71 71 A 28 LYS N A 28 LYS CA A 28 LYS CB A 28 LYS CG 1.0 -330.0 -30.0 CHI1 72 72 A 28 LYS N A 28 LYS CA A 28 LYS CB A 28 LYS CG 1.0 -210.0 90.0 CHI1 73 73 A 29 ARG N A 29 ARG CA A 29 ARG CB A 29 ARG CG 1.0 -90.0 -30.0 CHI1 74 74 A 30 ASN N A 30 ASN CA A 30 ASN CB A 30 ASN CG 1.0 30.0 90.0 CHI1 75 75 A 31 LEU N A 31 LEU CA A 31 LEU CB A 31 LEU CG 1.0 -90.0 -30.0 CHI1 76 76 A 32 LYS N A 32 LYS CA A 32 LYS CB A 32 LYS CG 1.0 -90.0 210.0 CHI1 77 77 A 32 LYS N A 32 LYS CA A 32 LYS CB A 32 LYS CG 1.0 -330.0 -30.0 CHI1 78 78 A 32 LYS N A 32 LYS CA A 32 LYS CB A 32 LYS CG 1.0 -210.0 90.0 CHI1 79 79 A 33 ILE N A 33 ILE CA A 33 ILE CB A 33 ILE CG1 1.0 -90.0 210.0 CHI1 80 80 A 33 ILE N A 33 ILE CA A 33 ILE CB A 33 ILE CG1 1.0 -330.0 -30.0 CHI1 81 81 A 33 ILE N A 33 ILE CA A 33 ILE CB A 33 ILE CG1 1.0 -210.0 90.0 CHI1 82 82 A 34 CYS N A 34 CYS CA A 34 CYS CB A 34 CYS SG 1.0 -90.0 -30.0 CHI1 83 83 A 35 VAL N A 35 VAL CA A 35 VAL CB A 35 VAL CG1 1.0 -90.0 210.0 CHI1 84 84 A 35 VAL N A 35 VAL CA A 35 VAL CB A 35 VAL CG1 1.0 -330.0 -30.0 CHI1 85 85 A 35 VAL N A 35 VAL CA A 35 VAL CB A 35 VAL CG1 1.0 -210.0 90.0 CHI1 stop_ save_