data_nef_c34417_6saa 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6SAA 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 19 CYS SG 1 9 CYS SG 1 22 CYS SG 1 18 CYS SG 1 27 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 ARG start . . 2 A 2 CYS middle -HG . 3 A 3 LEU middle . . 4 A 4 HIS middle . . 5 A 5 ALA middle . . 6 A 6 GLY middle . false 7 A 7 ALA middle . . 8 A 8 ALA middle . . 9 A 9 CYS middle -HG . 10 A 10 SER middle . . 11 A 11 GLY middle . false 12 A 12 PRO middle . false 13 A 13 ILE middle . . 14 A 14 GLN middle . . 15 A 15 LYS middle . . 16 A 16 ILE middle . . 17 A 17 PRO middle . false 18 A 18 CYS middle -HG . 19 A 19 CYS middle -HG . 20 A 20 GLY middle . false 21 A 21 THR middle . . 22 A 22 CYS middle -HG . 23 A 23 SER middle . . 24 A 24 ARG middle . . 25 A 25 ARG middle . . 26 A 26 LYS middle . . 27 A 27 CYS middle -HG . 28 A 28 THR end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 1 ARG HA H 1 4.119 0.000 A 1 ARG HB2 H 1 1.927 0.000 A 1 ARG HB3 H 1 1.877 0.000 A 1 ARG HD2 H 1 3.188 0.000 A 1 ARG HD3 H 1 3.188 0.000 A 1 ARG HE H 1 7.273 0.000 A 1 ARG HG2 H 1 1.594 0.000 A 1 ARG HG3 H 1 1.594 0.000 A 1 ARG CA C 13 54.995 0.000 A 1 ARG CB C 13 30.423 0.000 A 1 ARG CG C 13 26.021 0.000 A 2 CYS H H 1 8.555 0.000 A 2 CYS HA H 1 5.041 0.000 A 2 CYS HB2 H 1 2.923 0.000 A 2 CYS HB3 H 1 2.995 0.000 A 2 CYS CA C 13 53.401 0.000 A 2 CYS CB C 13 42.273 0.000 A 2 CYS N N 15 119.487 0.000 A 3 LEU H H 1 9.225 0.000 A 3 LEU HA H 1 4.426 0.000 A 3 LEU HB2 H 1 2.148 0.000 A 3 LEU HB3 H 1 1.291 0.000 A 3 LEU HD1% H 1 0.725 0.000 A 3 LEU HD2% H 1 0.827 0.000 A 3 LEU HG H 1 1.405 0.000 A 3 LEU CA C 13 53.780 0.000 A 3 LEU CB C 13 42.807 0.000 A 3 LEU CD1 C 13 21.669 0.000 A 3 LEU CD2 C 13 25.463 0.000 A 3 LEU CG C 13 25.487 0.000 A 3 LEU N N 15 121.985 0.000 A 4 HIS H H 1 8.847 0.000 A 4 HIS HA H 1 4.372 0.000 A 4 HIS HB2 H 1 3.317 0.000 A 4 HIS HB3 H 1 3.237 0.000 A 4 HIS HD2 H 1 7.352 0.000 A 4 HIS HE1 H 1 8.579 0.000 A 4 HIS CA C 13 54.338 0.000 A 4 HIS CB C 13 29.167 0.000 A 4 HIS N N 15 124.354 0.000 A 5 ALA H H 1 8.362 0.000 A 5 ALA HA H 1 3.726 0.000 A 5 ALA HB% H 1 1.291 0.000 A 5 ALA CA C 13 53.241 0.000 A 5 ALA CB C 13 17.946 0.000 A 5 ALA N N 15 124.066 0.000 A 6 GLY H H 1 9.181 0.000 A 6 GLY HA2 H 1 3.520 0.000 A 6 GLY HA3 H 1 4.505 0.000 A 6 GLY CA C 13 44.333 0.000 A 6 GLY N N 15 113.963 0.000 A 7 ALA H H 1 7.597 0.000 A 7 ALA HA H 1 4.264 0.000 A 7 ALA HB% H 1 1.400 0.000 A 7 ALA CA C 13 51.577 0.000 A 7 ALA CB C 13 20.424 0.000 A 7 ALA N N 15 125.047 0.000 A 8 ALA H H 1 8.384 0.000 A 8 ALA HA H 1 4.560 0.000 A 8 ALA HB% H 1 1.405 0.000 A 8 ALA CA C 13 51.991 0.000 A 8 ALA CB C 13 18.637 0.000 A 8 ALA N N 15 124.843 0.000 A 9 CYS H H 1 7.977 0.000 A 9 CYS HA H 1 4.841 0.000 A 9 CYS HB2 H 1 3.188 0.000 A 9 CYS HB3 H 1 3.190 0.000 A 9 CYS CA C 13 53.980 0.000 A 9 CYS CB C 13 46.069 0.000 A 9 CYS N N 15 117.071 0.000 A 10 SER H H 1 8.665 0.000 A 10 SER HA H 1 4.434 0.000 A 10 SER HB2 H 1 3.905 0.000 A 10 SER HB3 H 1 3.905 0.000 A 10 SER CA C 13 58.543 0.000 A 10 SER CB C 13 63.862 0.000 A 10 SER N N 15 116.645 0.000 A 11 GLY H H 1 8.191 0.000 A 11 GLY HA2 H 1 4.347 0.000 A 11 GLY HA3 H 1 3.941 0.000 A 11 GLY CA C 13 44.568 0.000 A 11 GLY N N 15 112.927 0.000 A 12 PRO HA H 1 4.373 0.000 A 12 PRO HB2 H 1 2.332 0.000 A 12 PRO HB3 H 1 1.976 0.000 A 12 PRO HD2 H 1 3.588 0.000 A 12 PRO HD3 H 1 3.770 0.000 A 12 PRO HG2 H 1 2.049 0.000 A 12 PRO HG3 H 1 2.049 0.000 A 12 PRO CA C 13 63.867 0.000 A 12 PRO CB C 13 31.810 0.000 A 12 PRO CD C 13 49.283 0.000 A 12 PRO CG C 13 26.510 0.000 A 13 ILE H H 1 7.784 0.000 A 13 ILE HA H 1 4.239 0.000 A 13 ILE HB H 1 1.883 0.000 A 13 ILE HD1% H 1 0.818 0.000 A 13 ILE HG12 H 1 1.358 0.000 A 13 ILE HG13 H 1 1.093 0.000 A 13 ILE HG2% H 1 0.818 0.000 A 13 ILE CA C 13 59.983 0.000 A 13 ILE CB C 13 37.757 0.000 A 13 ILE CD1 C 13 12.243 0.000 A 13 ILE CG1 C 13 26.669 0.000 A 13 ILE CG2 C 13 16.982 0.000 A 13 ILE N N 15 118.436 0.000 A 14 GLN H H 1 7.873 0.000 A 14 GLN HA H 1 4.337 0.000 A 14 GLN HB2 H 1 2.101 0.000 A 14 GLN HB3 H 1 1.915 0.000 A 14 GLN HE21 H 1 8.115 0.000 A 14 GLN HE22 H 1 6.292 0.000 A 14 GLN HG2 H 1 2.188 0.000 A 14 GLN HG3 H 1 2.304 0.000 A 14 GLN CA C 13 54.798 0.000 A 14 GLN CB C 13 28.940 0.000 A 14 GLN CG C 13 32.536 0.000 A 14 GLN N N 15 125.435 0.000 A 15 LYS H H 1 8.603 0.000 A 15 LYS HA H 1 4.060 0.000 A 15 LYS HB2 H 1 1.787 0.000 A 15 LYS HB3 H 1 1.787 0.000 A 15 LYS HD2 H 1 1.652 0.000 A 15 LYS HD3 H 1 1.652 0.000 A 15 LYS HE2 H 1 2.953 0.000 A 15 LYS HE3 H 1 2.953 0.000 A 15 LYS HG2 H 1 1.474 0.000 A 15 LYS HG3 H 1 1.390 0.000 A 15 LYS CA C 13 58.080 0.000 A 15 LYS CB C 13 32.239 0.000 A 15 LYS CD C 13 28.311 0.000 A 15 LYS CE C 13 41.550 0.000 A 15 LYS CG C 13 24.488 0.000 A 15 LYS N N 15 125.588 0.000 A 16 ILE H H 1 7.853 0.000 A 16 ILE HA H 1 4.563 0.000 A 16 ILE HB H 1 1.780 0.000 A 16 ILE HD1% H 1 0.755 0.000 A 16 ILE HG12 H 1 1.052 0.000 A 16 ILE HG13 H 1 1.405 0.000 A 16 ILE HG2% H 1 0.795 0.000 A 16 ILE CA C 13 56.914 0.000 A 16 ILE CB C 13 38.188 0.000 A 16 ILE CD1 C 13 11.913 0.000 A 16 ILE CG1 C 13 26.211 0.000 A 16 ILE CG2 C 13 16.674 0.000 A 16 ILE N N 15 121.171 0.000 A 17 PRO HA H 1 4.494 0.000 A 17 PRO HB2 H 1 2.247 0.000 A 17 PRO HB3 H 1 2.247 0.000 A 17 PRO HD2 H 1 3.865 0.000 A 17 PRO HD3 H 1 3.725 0.000 A 17 PRO HG2 H 1 2.032 0.000 A 17 PRO HG3 H 1 1.885 0.000 A 17 PRO CA C 13 61.851 0.000 A 17 PRO CB C 13 31.949 0.000 A 17 PRO CD C 13 50.394 0.000 A 18 CYS H H 1 8.908 0.000 A 18 CYS HA H 1 4.658 0.000 A 18 CYS HB2 H 1 2.134 0.000 A 18 CYS HB3 H 1 3.237 0.000 A 18 CYS CA C 13 54.868 0.000 A 18 CYS CB C 13 34.572 0.000 A 18 CYS N N 15 119.717 0.000 A 19 CYS H H 1 9.680 0.000 A 19 CYS HA H 1 4.395 0.000 A 19 CYS HB2 H 1 3.135 0.000 A 19 CYS HB3 H 1 2.673 0.000 A 19 CYS CA C 13 56.661 0.000 A 19 CYS CB C 13 38.550 0.000 A 19 CYS N N 15 126.213 0.000 A 20 GLY H H 1 9.248 0.000 A 20 GLY HA2 H 1 3.455 0.000 A 20 GLY HA3 H 1 4.259 0.000 A 20 GLY CA C 13 44.365 0.000 A 20 GLY N N 15 111.739 0.000 A 21 THR H H 1 8.263 0.000 A 21 THR HA H 1 4.484 0.000 A 21 THR HB H 1 3.964 0.000 A 21 THR HG2% H 1 1.058 0.000 A 21 THR CA C 13 59.543 0.000 A 21 THR CB C 13 71.035 0.000 A 21 THR N N 15 120.845 0.000 A 22 CYS H H 1 8.834 0.000 A 22 CYS HA H 1 4.973 0.000 A 22 CYS HB2 H 1 2.848 0.000 A 22 CYS HB3 H 1 3.027 0.000 A 22 CYS CA C 13 54.909 0.000 A 22 CYS CB C 13 39.556 0.000 A 22 CYS N N 15 124.461 0.000 A 23 SER H H 1 8.934 0.000 A 23 SER HA H 1 4.713 0.000 A 23 SER HB2 H 1 3.651 0.000 A 23 SER HB3 H 1 3.506 0.000 A 23 SER CA C 13 56.058 0.000 A 23 SER CB C 13 63.436 0.000 A 23 SER N N 15 127.690 0.000 A 24 ARG H H 1 9.459 0.000 A 24 ARG HA H 1 3.819 0.000 A 24 ARG HB2 H 1 1.868 0.000 A 24 ARG HB3 H 1 1.868 0.000 A 24 ARG HD2 H 1 3.184 0.000 A 24 ARG HD3 H 1 3.185 0.000 A 24 ARG HE H 1 7.154 0.000 A 24 ARG HG2 H 1 1.584 0.000 A 24 ARG HG3 H 1 1.583 0.000 A 24 ARG CA C 13 57.046 0.000 A 24 ARG CD C 13 42.973 0.000 A 24 ARG N N 15 129.822 0.000 A 25 ARG H H 1 8.467 0.000 A 25 ARG HA H 1 3.745 0.000 A 25 ARG HB2 H 1 2.192 0.000 A 25 ARG HB3 H 1 2.192 0.000 A 25 ARG HD2 H 1 3.212 0.000 A 25 ARG HD3 H 1 3.212 0.000 A 25 ARG HE H 1 7.177 0.000 A 25 ARG HG2 H 1 1.526 0.000 A 25 ARG HG3 H 1 1.526 0.000 A 25 ARG CA C 13 57.991 0.000 A 25 ARG CB C 13 26.661 0.000 A 25 ARG CD C 13 42.942 0.000 A 25 ARG CG C 13 27.388 0.000 A 25 ARG N N 15 109.412 0.000 A 26 LYS H H 1 7.860 0.000 A 26 LYS HA H 1 5.169 0.000 A 26 LYS HB2 H 1 1.660 0.000 A 26 LYS HB3 H 1 1.537 0.000 A 26 LYS HD2 H 1 1.703 0.000 A 26 LYS HD3 H 1 1.623 0.000 A 26 LYS HE2 H 1 3.004 0.000 A 26 LYS HE3 H 1 3.007 0.000 A 26 LYS HG3 H 1 1.315 0.000 A 26 LYS CA C 13 54.562 0.000 A 26 LYS CB C 13 36.667 0.000 A 26 LYS CD C 13 29.021 0.000 A 26 LYS CE C 13 41.672 0.000 A 26 LYS CG C 13 24.654 0.000 A 26 LYS N N 15 123.399 0.000 A 27 CYS H H 1 9.333 0.000 A 27 CYS HA H 1 5.426 0.000 A 27 CYS HB2 H 1 3.969 0.000 A 27 CYS HB3 H 1 2.645 0.000 A 27 CYS CA C 13 52.400 0.000 A 27 CYS CB C 13 34.555 0.000 A 27 CYS N N 15 124.359 0.000 A 28 THR H H 1 9.275 0.000 A 28 THR HA H 1 4.258 0.000 A 28 THR HB H 1 4.466 0.000 A 28 THR HG2% H 1 1.237 0.000 A 28 THR CA C 13 62.974 0.000 A 28 THR CB C 13 70.848 0.000 A 28 THR CG2 C 13 21.745 0.000 A 28 THR N N 15 125.877 0.000 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin noe _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 24 ARG H A 24 ARG HB3 1.0 1.834 3.862 2 1 A 24 ARG H A 24 ARG HB2 1.0 1.834 3.862 3 2 A 28 THR H A 27 CYS HB2 1.0 1.840 3.898 4 2 A 28 THR H A 21 THR HB 1.0 1.840 3.898 5 3 A 10 SER H A 10 SER HB3 1.0 1.789 3.615 6 3 A 10 SER H A 10 SER HB2 1.0 1.789 3.615 7 4 A 24 ARG H A 24 ARG HD2 1.0 1.967 4.993 8 4 A 24 ARG H A 24 ARG HD3 1.0 1.967 4.993 9 5 A 19 CYS H A 3 LEU HB3 1.0 1.767 3.503 10 5 A 19 CYS H A 18 CYS HB3 1.0 1.767 3.503 11 6 A 18 CYS H A 17 PRO HB3 1.0 1.832 3.848 12 6 A 18 CYS H A 17 PRO HB2 1.0 1.832 3.848 13 7 A 25 ARG H A 25 ARG HB2 1.0 1.896 4.278 14 7 A 25 ARG H A 25 ARG HB3 1.0 1.896 4.278 15 8 A 25 ARG HB2 A 9 CYS H 1.0 1.962 4.946 16 8 A 25 ARG HB3 A 9 CYS H 1.0 1.962 4.946 17 9 A 19 CYS H A 3 LEU HG 1.0 1.967 5.009 18 9 A 19 CYS H A 7 ALA HB% 1.0 1.967 5.009 19 10 A 24 ARG H A 24 ARG HG2 1.0 1.737 3.361 20 10 A 24 ARG H A 24 ARG HG3 1.0 1.737 3.361 21 11 A 3 LEU H A 16 ILE HG2% 1.0 1.822 3.792 22 11 A 3 LEU H A 3 LEU HD1% 1.0 1.822 3.792 23 12 A 25 ARG H A 25 ARG HD2 1.0 1.970 5.050 24 12 A 25 ARG H A 25 ARG HD3 1.0 1.970 5.050 25 13 A 9 CYS H A 9 CYS HB2 1.0 1.846 3.932 26 13 A 9 CYS H A 9 CYS HB3 1.0 1.846 3.932 27 14 A 1 ARG HE A 1 ARG HD2 1.0 1.849 3.951 28 14 A 1 ARG HE A 1 ARG HD3 1.0 1.849 3.951 29 15 A 25 ARG HD3 A 25 ARG HE 1.0 1.815 3.755 30 15 A 25 ARG HD2 A 25 ARG HE 1.0 1.815 3.755 31 16 A 24 ARG HD2 A 24 ARG HE 1.0 1.742 3.384 32 16 A 24 ARG HD3 A 24 ARG HE 1.0 1.742 3.384 33 17 A 24 ARG HB3 A 24 ARG HE 1.0 1.970 5.042 34 17 A 24 ARG HB2 A 24 ARG HE 1.0 1.970 5.042 35 18 A 7 ALA H A 5 ALA HB% 1.0 1.887 4.215 36 18 A 7 ALA H A 3 LEU HB2 1.0 1.887 4.215 37 19 A 1 ARG HE A 1 ARG HG3 1.0 1.982 5.258 38 19 A 1 ARG HE A 1 ARG HG2 1.0 1.982 5.258 39 20 A 25 ARG HE A 25 ARG HG2 1.0 1.942 4.692 40 20 A 25 ARG HE A 25 ARG HG3 1.0 1.942 4.692 41 21 A 24 ARG HG3 A 24 ARG HE 1.0 1.990 5.446 42 21 A 24 ARG HG2 A 24 ARG HE 1.0 1.990 5.446 43 22 A 15 LYS H A 15 LYS HB3 1.0 1.629 2.923 44 22 A 15 LYS H A 15 LYS HB2 1.0 1.629 2.923 45 23 A 24 ARG HB2 A 25 ARG H 1.0 1.900 4.312 46 23 A 24 ARG HB3 A 25 ARG H 1.0 1.900 4.312 47 24 A 10 SER H A 8 ALA HB% 1.0 1.997 5.737 48 24 A 10 SER H A 7 ALA HB% 1.0 1.997 5.737 49 25 A 1 ARG HG3 A 2 CYS H 1.0 1.895 4.275 50 25 A 1 ARG HG2 A 2 CYS H 1.0 1.895 4.275 51 26 A 16 ILE HG2% A 16 ILE H 1.0 1.918 4.460 52 26 A 16 ILE H A 16 ILE HD1% 1.0 1.918 4.460 53 27 A 27 CYS HB2 A 22 CYS HA 1.0 1.999 6.179 54 27 A 21 THR HB A 22 CYS HA 1.0 1.999 6.179 55 28 A 10 SER HB3 A 10 SER HA 1.0 1.721 3.293 56 28 A 10 SER HB2 A 10 SER HA 1.0 1.721 3.293 57 29 A 10 SER HB3 A 11 GLY HA2 1.0 1.887 4.213 58 29 A 10 SER HB2 A 11 GLY HA2 1.0 1.887 4.213 59 30 A 5 ALA HA A 6 GLY HA2 1.0 1.964 4.972 60 30 A 17 PRO HD3 A 17 PRO HA 1.0 1.964 4.972 61 31 A 17 PRO HB2 A 17 PRO HA 1.0 1.737 3.359 62 31 A 17 PRO HB3 A 17 PRO HA 1.0 1.737 3.359 63 32 A 12 PRO HA A 12 PRO HG3 1.0 1.911 4.399 64 32 A 12 PRO HG2 A 12 PRO HA 1.0 1.911 4.399 65 33 A 3 LEU HB2 A 4 HIS HA 1.0 1.923 4.511 66 33 A 5 ALA HB% A 4 HIS HA 1.0 1.923 4.511 67 34 A 15 LYS HB3 A 15 LYS HA 1.0 1.805 3.699 68 34 A 15 LYS HB2 A 15 LYS HA 1.0 1.805 3.699 69 35 A 15 LYS HA A 15 LYS HD2 1.0 1.931 4.583 70 35 A 15 LYS HA A 15 LYS HD3 1.0 1.931 4.583 71 36 A 1 ARG HG2 A 1 ARG HA 1.0 1.927 4.537 72 36 A 1 ARG HG3 A 1 ARG HA 1.0 1.927 4.537 73 37 A 17 PRO HB2 A 17 PRO HD2 1.0 1.963 4.949 74 37 A 17 PRO HB3 A 17 PRO HD2 1.0 1.963 4.949 75 38 A 25 ARG HB3 A 25 ARG HA 1.0 1.802 3.686 76 38 A 25 ARG HB2 A 25 ARG HA 1.0 1.802 3.686 77 39 A 12 PRO HG2 A 12 PRO HD2 1.0 1.806 3.706 78 39 A 12 PRO HG3 A 12 PRO HD2 1.0 1.806 3.706 79 40 A 24 ARG HB3 A 24 ARG HA 1.0 1.736 3.358 80 40 A 24 ARG HB2 A 24 ARG HA 1.0 1.736 3.358 81 41 A 12 PRO HG2 A 12 PRO HD3 1.0 1.781 3.575 82 41 A 12 PRO HG3 A 12 PRO HD3 1.0 1.781 3.575 83 42 A 25 ARG HG2 A 25 ARG HA 1.0 1.748 3.412 84 42 A 25 ARG HG3 A 25 ARG HA 1.0 1.748 3.412 85 43 A 17 PRO HD3 A 16 ILE HG12 1.0 1.965 4.981 86 43 A 7 ALA HB% A 5 ALA HA 1.0 1.965 4.981 87 44 A 1 ARG HD2 A 1 ARG HB3 1.0 1.938 4.646 88 44 A 1 ARG HD3 A 1 ARG HB3 1.0 1.938 4.646 89 45 A 24 ARG HB2 A 24 ARG HD2 1.0 1.770 3.518 90 45 A 24 ARG HB2 A 24 ARG HD3 1.0 1.770 3.518 91 45 A 24 ARG HB3 A 24 ARG HD2 1.0 1.770 3.518 92 45 A 24 ARG HB3 A 24 ARG HD3 1.0 1.770 3.518 93 46 A 24 ARG HB3 A 26 LYS HE3 1.0 1.944 4.710 94 46 A 24 ARG HB3 A 26 LYS HE2 1.0 1.944 4.710 95 46 A 24 ARG HB2 A 26 LYS HE2 1.0 1.944 4.710 96 46 A 24 ARG HB2 A 26 LYS HE3 1.0 1.944 4.710 97 47 A 26 LYS HE3 A 26 LYS HD3 1.0 1.929 4.563 98 47 A 26 LYS HE2 A 26 LYS HD3 1.0 1.929 4.563 99 48 A 15 LYS HD2 A 15 LYS HE3 1.0 1.813 3.739 100 48 A 15 LYS HD2 A 15 LYS HE2 1.0 1.813 3.739 101 48 A 15 LYS HD3 A 15 LYS HE3 1.0 1.813 3.739 102 48 A 15 LYS HD3 A 15 LYS HE2 1.0 1.813 3.739 103 49 A 26 LYS HE2 A 26 LYS HD2 1.0 1.804 3.694 104 49 A 26 LYS HE3 A 26 LYS HD2 1.0 1.804 3.694 105 50 A 24 ARG HD2 A 26 LYS HD2 1.0 1.713 3.257 106 50 A 24 ARG HD3 A 26 LYS HD2 1.0 1.713 3.257 107 51 A 24 ARG HD3 A 24 ARG HG3 1.0 1.775 3.539 108 51 A 24 ARG HD2 A 24 ARG HG2 1.0 1.775 3.539 109 51 A 24 ARG HD3 A 24 ARG HG2 1.0 1.775 3.539 110 51 A 24 ARG HD2 A 24 ARG HG3 1.0 1.775 3.539 111 52 A 25 ARG HD3 A 25 ARG HG3 1.0 1.700 3.204 112 52 A 25 ARG HD2 A 25 ARG HG2 1.0 1.700 3.204 113 52 A 25 ARG HD3 A 25 ARG HG2 1.0 1.700 3.204 114 52 A 25 ARG HD2 A 25 ARG HG3 1.0 1.700 3.204 115 53 A 1 ARG HD2 A 16 ILE HD1% 1.0 1.997 6.289 116 53 A 1 ARG HD3 A 3 LEU HD2% 1.0 1.997 6.289 117 53 A 1 ARG HD3 A 16 ILE HD1% 1.0 1.997 6.289 118 53 A 9 CYS HB3 A 3 LEU HD2% 1.0 1.997 6.289 119 54 A 12 PRO HG2 A 12 PRO HB2 1.0 1.788 3.610 120 54 A 12 PRO HG3 A 12 PRO HB2 1.0 1.788 3.610 121 55 A 17 PRO HB2 A 17 PRO HG2 1.0 1.425 2.285 122 55 A 17 PRO HB3 A 17 PRO HG2 1.0 1.425 2.285 123 56 A 17 PRO HB3 A 17 PRO HG3 1.0 1.785 3.591 124 56 A 17 PRO HB2 A 17 PRO HG3 1.0 1.785 3.591 125 57 A 25 ARG HB2 A 25 ARG HG3 1.0 1.695 3.181 126 57 A 25 ARG HB3 A 25 ARG HG2 1.0 1.695 3.181 127 57 A 25 ARG HB3 A 25 ARG HG3 1.0 1.695 3.181 128 57 A 25 ARG HB2 A 25 ARG HG2 1.0 1.695 3.181 129 58 A 24 ARG HB3 A 26 LYS HD3 1.0 1.922 4.496 130 58 A 24 ARG HB2 A 26 LYS HD3 1.0 1.922 4.496 131 59 A 1 ARG HG3 A 1 ARG HB2 1.0 1.548 2.650 132 59 A 1 ARG HG2 A 1 ARG HB2 1.0 1.548 2.650 133 60 A 15 LYS HB2 A 15 LYS HG2 1.0 1.838 3.890 134 60 A 15 LYS HB3 A 15 LYS HG2 1.0 1.838 3.890 135 61 A 15 LYS HB3 A 15 LYS HG3 1.0 1.803 3.685 136 61 A 15 LYS HB2 A 15 LYS HG3 1.0 1.803 3.685 137 62 A 15 LYS HD3 A 15 LYS HG2 1.0 1.469 2.409 138 62 A 15 LYS HD2 A 15 LYS HG2 1.0 1.469 2.409 139 63 A 15 LYS HD2 A 15 LYS HG3 1.0 1.581 2.759 140 63 A 15 LYS HD3 A 15 LYS HG3 1.0 1.581 2.759 141 64 A 13 ILE HB A 13 ILE HD1% 1.0 1.496 2.490 142 64 A 13 ILE HB A 13 ILE HG2% 1.0 1.496 2.490 143 65 A 16 ILE HG2% A 1 ARG HG3 1.0 1.842 3.912 144 65 A 16 ILE HG2% A 1 ARG HG2 1.0 1.842 3.912 145 66 A 1 ARG HG3 A 16 ILE HD1% 1.0 1.968 5.030 146 66 A 1 ARG HG2 A 16 ILE HD1% 1.0 1.968 5.030 147 67 A 3 LEU HG A 3 LEU HD1% 1.0 1.448 2.348 148 67 A 7 ALA HB% A 3 LEU HD1% 1.0 1.448 2.348 149 68 A 18 CYS HB2 A 28 THR HB 1.0 1.720 9.272 150 68 A 10 SER HA A 18 CYS HB2 1.0 1.720 9.272 151 69 A 6 GLY HA3 A 28 THR HA 1.0 2.000 5.982 152 69 A 6 GLY HA3 A 7 ALA HA 1.0 2.000 5.982 153 70 A 25 ARG HB3 A 25 ARG HD2 1.0 1.826 3.816 154 70 A 25 ARG HB2 A 25 ARG HD3 1.0 1.826 3.816 155 70 A 25 ARG HB2 A 25 ARG HD2 1.0 1.826 3.816 156 70 A 25 ARG HB3 A 25 ARG HD3 1.0 1.826 3.816 157 71 A 7 ALA H A 8 ALA H 1.0 1.924 4.518 158 71 A 7 ALA H A 5 ALA H 1.0 1.924 4.518 159 72 A 15 LYS H A 16 ILE H 1.0 1.967 4.997 160 72 A 15 LYS H A 14 GLN H 1.0 1.967 4.997 161 73 A 25 ARG HB3 A 26 LYS H 1.0 1.848 3.944 162 73 A 25 ARG HB2 A 26 LYS H 1.0 1.848 3.944 163 74 A 15 LYS H A 15 LYS HD3 1.0 1.994 5.544 164 74 A 15 LYS H A 15 LYS HD2 1.0 1.994 5.544 165 75 A 25 ARG HB2 A 24 ARG HA 1.0 1.942 4.702 166 75 A 25 ARG HB3 A 24 ARG HA 1.0 1.942 4.702 167 76 A 15 LYS HB2 A 13 ILE HG13 1.0 1.932 4.588 168 76 A 15 LYS HB3 A 13 ILE HG13 1.0 1.932 4.588 169 77 A 10 SER HB2 A 25 ARG HG2 1.0 1.989 5.415 170 77 A 10 SER HB3 A 25 ARG HG2 1.0 1.989 5.415 171 77 A 10 SER HB2 A 25 ARG HG3 1.0 1.989 5.415 172 77 A 10 SER HB3 A 25 ARG HG3 1.0 1.989 5.415 173 78 A 9 CYS HB3 A 26 LYS H 1.0 2.000 5.864 174 78 A 9 CYS HB2 A 26 LYS H 1.0 2.000 5.864 175 79 A 27 CYS HB2 A 3 LEU H 1.0 1.969 5.039 176 79 A 27 CYS HB2 A 20 GLY H 1.0 1.969 5.039 177 80 A 25 ARG H A 25 ARG HG3 1.0 1.684 3.140 178 80 A 25 ARG H A 25 ARG HG2 1.0 1.684 3.140 179 81 A 25 ARG HB3 A 11 GLY H 1.0 2.000 5.936 180 81 A 25 ARG HB2 A 11 GLY H 1.0 2.000 5.936 181 82 A 25 ARG HB3 A 26 LYS H 1.0 1.872 4.104 182 82 A 25 ARG HB2 A 26 LYS H 1.0 1.872 4.104 183 82 A 14 GLN H A 14 GLN HG3 1.0 1.872 4.104 184 83 A 13 ILE HG2% A 14 GLN H 1.0 1.818 3.774 185 83 A 16 ILE HG2% A 16 ILE H 1.0 1.818 3.774 186 84 A 25 ARG HB3 A 25 ARG HE 1.0 1.993 5.527 187 84 A 25 ARG HB2 A 25 ARG HE 1.0 1.993 5.527 188 85 A 27 CYS HA A 21 THR HA 1.0 1.999 5.833 189 85 A 28 THR HB A 27 CYS HA 1.0 1.999 5.833 190 86 A 6 GLY HA3 A 26 LYS HB2 1.0 2.000 6.004 191 86 A 26 LYS HD3 A 6 GLY HA3 1.0 2.000 6.004 192 87 A 25 ARG HG3 A 8 ALA HB% 1.0 1.695 3.183 193 87 A 25 ARG HG2 A 8 ALA HB% 1.0 1.695 3.183 194 88 A 5 ALA HB% A 27 CYS H 1.0 1.924 4.510 195 88 A 3 LEU HB2 A 27 CYS H 1.0 1.924 4.510 196 89 A 3 LEU HB3 A 4 HIS H 1.0 1.962 4.946 197 89 A 18 CYS HB3 A 22 CYS H 1.0 1.962 4.946 198 90 A 9 CYS HB2 A 11 GLY H 1.0 1.899 4.303 199 90 A 9 CYS HB3 A 11 GLY H 1.0 1.899 4.303 200 91 A 24 ARG HG3 A 24 ARG HA 1.0 1.772 3.524 201 91 A 24 ARG HG2 A 24 ARG HA 1.0 1.772 3.524 202 92 A 17 PRO HB3 A 17 PRO HD3 1.0 1.722 3.292 203 92 A 17 PRO HB2 A 17 PRO HD3 1.0 1.722 3.292 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.restraint_origin noe _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 26 LYS H A 26 LYS HB2 1.0 1.739 3.373 2 2 A 26 LYS H A 26 LYS HB3 1.0 1.844 3.922 3 3 A 19 CYS H A 3 LEU H 1.0 1.624 2.908 4 4 A 14 GLN HE22 A 14 GLN HE21 1.0 1.263 1.879 5 5 A 19 CYS H A 2 CYS HA 1.0 1.930 4.572 6 6 A 27 CYS HA A 27 CYS H 1.0 1.725 3.309 7 7 A 28 THR H A 27 CYS HA 1.0 1.591 2.791 8 8 A 27 CYS HA A 23 SER H 1.0 1.858 4.012 9 9 A 27 CYS H A 26 LYS HA 1.0 1.428 2.294 10 10 A 3 LEU H A 2 CYS HA 1.0 1.547 2.647 11 11 A 28 THR H A 22 CYS HA 1.0 1.930 4.572 12 12 A 22 CYS HA A 27 CYS H 1.0 1.976 5.146 13 13 A 22 CYS HA A 23 SER H 1.0 1.526 2.578 14 14 A 22 CYS HA A 22 CYS H 1.0 1.825 3.807 15 15 A 19 CYS H A 18 CYS HA 1.0 1.488 2.466 16 16 A 24 ARG H A 23 SER HA 1.0 1.465 2.399 17 17 A 3 LEU H A 18 CYS HA 1.0 1.662 3.046 18 18 A 27 CYS H A 8 ALA HA 1.0 1.846 3.934 19 19 A 23 SER H A 23 SER HA 1.0 1.742 3.382 20 20 A 18 CYS H A 18 CYS HA 1.0 1.747 3.411 21 21 A 18 CYS H A 17 PRO HA 1.0 1.463 2.391 22 22 A 4 HIS H A 3 LEU HA 1.0 1.458 2.376 23 23 A 4 HIS HA A 4 HIS H 1.0 1.829 3.829 24 24 A 21 THR HA A 22 CYS H 1.0 1.583 2.765 25 25 A 10 SER H A 10 SER HA 1.0 1.692 3.168 26 26 A 6 GLY HA2 A 6 GLY H 1.0 1.751 3.429 27 27 A 28 THR H A 28 THR HB 1.0 1.883 4.177 28 28 A 3 LEU H A 3 LEU HA 1.0 1.834 3.860 29 29 A 20 GLY H A 19 CYS HA 1.0 1.908 4.380 30 30 A 19 CYS H A 19 CYS HA 1.0 1.691 3.165 31 31 A 7 ALA HA A 27 CYS H 1.0 1.944 4.716 32 32 A 28 THR H A 28 THR HA 1.0 1.730 3.328 33 33 A 20 GLY H A 20 GLY HA3 1.0 1.843 3.915 34 34 A 28 THR HA A 6 GLY H 1.0 1.904 4.346 35 35 A 27 CYS HB2 A 27 CYS H 1.0 1.773 3.533 36 36 A 24 ARG H A 24 ARG HA 1.0 1.477 2.431 37 37 A 27 CYS HB2 A 6 GLY H 1.0 1.928 4.558 38 38 A 24 ARG H A 23 SER HB2 1.0 1.947 4.741 39 39 A 5 ALA HA A 27 CYS H 1.0 1.939 4.659 40 40 A 28 THR H A 5 ALA HA 1.0 1.993 5.533 41 41 A 5 ALA HA A 6 GLY H 1.0 1.475 2.427 42 42 A 23 SER H A 23 SER HB2 1.0 1.681 3.127 43 43 A 23 SER H A 23 SER HB3 1.0 1.770 3.516 44 44 A 6 GLY HA3 A 6 GLY H 1.0 1.699 3.199 45 45 A 20 GLY H A 20 GLY HA2 1.0 1.605 2.839 46 46 A 28 THR H A 20 GLY HA2 1.0 1.950 4.796 47 47 A 6 GLY HA3 A 27 CYS H 1.0 1.958 4.878 48 48 A 24 ARG H A 23 SER HB3 1.0 1.915 4.431 49 49 A 19 CYS H A 20 GLY HA2 1.0 1.985 5.329 50 50 A 19 CYS H A 19 CYS HB2 1.0 1.792 3.630 51 51 A 9 CYS HB3 A 27 CYS H 1.0 1.951 4.795 52 52 A 18 CYS H A 18 CYS HB2 1.0 1.777 3.553 53 53 A 4 HIS H A 4 HIS HB2 1.0 1.625 2.911 54 54 A 10 SER H A 9 CYS HB2 1.0 1.698 3.192 55 55 A 19 CYS H A 2 CYS HB3 1.0 1.907 4.371 56 56 A 19 CYS H A 2 CYS HB2 1.0 1.752 3.432 57 57 A 3 LEU H A 2 CYS HB3 1.0 1.841 3.903 58 58 A 3 LEU H A 2 CYS HB2 1.0 1.722 3.298 59 59 A 23 SER H A 22 CYS HB2 1.0 1.941 4.687 60 60 A 22 CYS H A 22 CYS HB2 1.0 1.732 3.340 61 61 A 22 CYS H A 22 CYS HB3 1.0 1.702 3.212 62 62 A 23 SER H A 22 CYS HB3 1.0 1.983 5.275 63 63 A 19 CYS H A 19 CYS HB3 1.0 1.652 3.012 64 64 A 27 CYS H A 27 CYS HB3 1.0 1.583 2.765 65 65 A 28 THR H A 27 CYS HB3 1.0 1.938 4.656 66 66 A 6 GLY H A 27 CYS HB3 1.0 1.810 3.726 67 67 A 28 THR H A 18 CYS HB3 1.0 1.994 6.456 68 68 A 3 LEU HB3 A 3 LEU H 1.0 1.678 3.112 69 69 A 18 CYS HB3 A 18 CYS H 1.0 1.596 2.810 70 70 A 3 LEU HB3 A 4 HIS H 1.0 1.889 4.227 71 71 A 10 SER H A 14 GLN HG3 1.0 1.995 5.611 72 72 A 10 SER H A 14 GLN HG2 1.0 1.992 5.502 73 73 A 15 LYS H A 14 GLN HG2 1.0 1.965 4.979 74 74 A 15 LYS H A 14 GLN HG3 1.0 1.933 4.597 75 75 A 11 GLY H A 14 GLN HB3 1.0 1.961 4.923 76 76 A 14 GLN HE22 A 14 GLN HG2 1.0 1.748 3.412 77 77 A 14 GLN HG3 A 14 GLN HE22 1.0 1.688 3.156 78 78 A 14 GLN HE22 A 14 GLN HB3 1.0 1.941 4.679 79 79 A 14 GLN H A 14 GLN HB3 1.0 1.774 3.534 80 80 A 16 ILE H A 14 GLN HG2 1.0 1.968 5.024 81 81 A 3 LEU H A 17 PRO HG3 1.0 2.000 5.914 82 82 A 19 CYS H A 3 LEU HB2 1.0 1.955 4.839 83 83 A 27 CYS H A 26 LYS HB3 1.0 1.707 3.233 84 84 A 3 LEU HG A 3 LEU H 1.0 1.622 2.898 85 85 A 26 LYS HB2 A 6 GLY H 1.0 1.997 5.697 86 86 A 26 LYS HB3 A 6 GLY H 1.0 1.926 4.532 87 87 A 7 ALA HB% A 6 GLY H 1.0 1.942 4.690 88 88 A 26 LYS HB2 A 23 SER H 1.0 1.999 5.865 89 89 A 23 SER H A 28 THR HG2% 1.0 1.817 3.763 90 90 A 7 ALA HB% A 4 HIS H 1.0 1.814 3.744 91 91 A 3 LEU HB2 A 4 HIS H 1.0 1.769 3.513 92 92 A 19 CYS H A 3 LEU HD1% 1.0 1.988 5.396 93 93 A 19 CYS H A 3 LEU HD2% 1.0 1.999 5.841 94 94 A 28 THR H A 21 THR HG2% 1.0 1.999 5.907 95 95 A 3 LEU HD1% A 27 CYS H 1.0 1.994 5.572 96 96 A 3 LEU H A 3 LEU HB2 1.0 1.822 3.794 97 97 A 5 ALA HB% A 6 GLY H 1.0 1.723 3.297 98 98 A 28 THR H A 28 THR HG2% 1.0 1.697 3.187 99 99 A 27 CYS H A 28 THR HG2% 1.0 1.990 5.460 100 100 A 23 SER H A 21 THR HG2% 1.0 1.994 5.578 101 101 A 22 CYS H A 21 THR HG2% 1.0 1.781 3.569 102 102 A 3 LEU H A 3 LEU HD2% 1.0 1.856 4.002 103 103 A 3 LEU H A 16 ILE HG2% 1.0 1.768 3.510 104 104 A 18 CYS H A 3 LEU HD1% 1.0 1.944 4.720 105 105 A 3 LEU HD1% A 4 HIS H 1.0 1.967 5.011 106 106 A 3 LEU HD2% A 4 HIS H 1.0 1.802 3.682 107 107 A 27 CYS HA A 21 THR H 1.0 2.000 5.962 108 108 A 8 ALA H A 26 LYS HA 1.0 1.989 5.423 109 109 A 2 CYS H A 2 CYS HA 1.0 1.796 3.646 110 110 A 25 ARG H A 23 SER HA 1.0 1.924 4.518 111 111 A 9 CYS H A 26 LYS HA 1.0 1.704 3.216 112 112 A 26 LYS H A 26 LYS HA 1.0 1.833 3.857 113 113 A 22 CYS HA A 26 LYS H 1.0 1.990 5.454 114 114 A 9 CYS H A 9 CYS HA 1.0 1.947 4.751 115 115 A 8 ALA H A 8 ALA HA 1.0 1.644 2.980 116 116 A 7 ALA HA A 8 ALA H 1.0 1.422 2.278 117 117 A 15 LYS H A 14 GLN HA 1.0 1.498 2.492 118 118 A 21 THR HA A 21 THR H 1.0 1.819 3.775 119 119 A 20 GLY HA3 A 21 THR H 1.0 1.792 3.628 120 120 A 11 GLY HA2 A 11 GLY H 1.0 1.853 3.979 121 121 A 14 GLN HE22 A 14 GLN HA 1.0 1.989 5.415 122 122 A 9 CYS H A 8 ALA HA 1.0 1.440 2.328 123 123 A 16 ILE H A 16 ILE HA 1.0 1.843 3.919 124 124 A 14 GLN H A 13 ILE HA 1.0 1.595 2.805 125 125 A 14 GLN H A 14 GLN HA 1.0 1.839 3.887 126 126 A 12 PRO HA A 13 ILE H 1.0 1.888 4.220 127 127 A 13 ILE HA A 13 ILE H 1.0 1.931 4.583 128 128 A 7 ALA H A 7 ALA HA 1.0 1.709 3.241 129 129 A 7 ALA H A 6 GLY HA2 1.0 1.789 3.609 130 130 A 3 LEU HA A 4 HIS HD2 1.0 1.933 4.609 131 131 A 7 ALA H A 26 LYS HA 1.0 1.995 5.583 132 132 A 2 CYS H A 1 ARG HA 1.0 1.556 2.674 133 133 A 15 LYS H A 15 LYS HA 1.0 1.712 3.254 134 134 A 25 ARG H A 25 ARG HA 1.0 1.537 2.613 135 135 A 5 ALA HA A 5 ALA H 1.0 1.609 2.855 136 136 A 21 THR HB A 21 THR H 1.0 1.837 3.879 137 137 A 11 GLY H A 11 GLY HA3 1.0 1.568 2.714 138 138 A 12 PRO HD2 A 11 GLY H 1.0 1.977 5.171 139 139 A 12 PRO HD3 A 11 GLY H 1.0 1.976 5.160 140 140 A 25 ARG HA A 26 LYS H 1.0 1.824 3.802 141 141 A 24 ARG HA A 26 LYS H 1.0 1.932 4.598 142 142 A 16 ILE H A 15 LYS HA 1.0 1.877 4.145 143 143 A 27 CYS HB2 A 7 ALA H 1.0 1.875 4.123 144 144 A 26 LYS H A 23 SER HB2 1.0 1.999 5.925 145 145 A 7 ALA H A 5 ALA HA 1.0 1.818 3.770 146 146 A 7 ALA H A 6 GLY HA3 1.0 1.821 3.789 147 147 A 20 GLY HA2 A 21 THR H 1.0 1.615 2.875 148 148 A 5 ALA H A 20 GLY HA2 1.0 1.999 5.861 149 149 A 5 ALA H A 4 HIS HB3 1.0 1.587 2.775 150 150 A 2 CYS H A 2 CYS HB3 1.0 1.925 4.531 151 151 A 2 CYS H A 2 CYS HB2 1.0 1.968 5.012 152 152 A 9 CYS HB3 A 14 GLN HE22 1.0 1.907 4.369 153 153 A 26 LYS H A 23 SER HB3 1.0 1.993 6.499 154 154 A 4 HIS HD2 A 4 HIS HB3 1.0 1.839 3.889 155 155 A 4 HIS HB2 A 4 HIS HD2 1.0 1.791 3.623 156 156 A 9 CYS HB3 A 14 GLN HE21 1.0 1.766 3.500 157 157 A 5 ALA H A 27 CYS HB3 1.0 1.980 5.230 158 158 A 7 ALA H A 27 CYS HB3 1.0 1.684 3.138 159 159 A 13 ILE H A 12 PRO HB3 1.0 1.868 4.078 160 160 A 13 ILE HB A 13 ILE H 1.0 1.774 3.538 161 161 A 14 GLN H A 14 GLN HB2 1.0 1.729 3.329 162 162 A 16 ILE H A 16 ILE HB 1.0 1.679 3.115 163 163 A 9 CYS H A 26 LYS HB3 1.0 1.984 5.300 164 164 A 7 ALA HB% A 7 ALA H 1.0 1.468 2.408 165 165 A 7 ALA HB% A 4 HIS HD2 1.0 1.932 4.600 166 166 A 3 LEU HB2 A 4 HIS HD2 1.0 1.946 4.742 167 167 A 28 THR HG2% A 21 THR H 1.0 1.916 4.440 168 168 A 11 GLY H A 14 GLN HB2 1.0 1.982 5.268 169 169 A 14 GLN HE22 A 14 GLN HB2 1.0 1.962 4.932 170 170 A 14 GLN HE22 A 16 ILE HB 1.0 1.964 4.958 171 171 A 10 SER H A 14 GLN HB2 1.0 1.971 5.065 172 172 A 2 CYS H A 1 ARG HB3 1.0 1.873 4.111 173 173 A 2 CYS H A 1 ARG HB2 1.0 1.931 4.589 174 174 A 26 LYS HB3 A 23 SER H 1.0 1.999 5.845 175 175 A 18 CYS H A 3 LEU HG 1.0 1.985 5.329 176 176 A 15 LYS H A 15 LYS HG2 1.0 1.848 3.944 177 177 A 15 LYS H A 15 LYS HG3 1.0 1.859 4.017 178 178 A 8 ALA HB% A 8 ALA H 1.0 1.413 2.253 179 179 A 5 ALA HB% A 5 ALA H 1.0 1.425 2.285 180 180 A 3 LEU HB2 A 8 ALA H 1.0 1.932 7.550 181 181 A 15 LYS H A 16 ILE HG13 1.0 1.997 5.717 182 182 A 21 THR HG2% A 21 THR H 1.0 1.813 3.739 183 183 A 26 LYS H A 28 THR HG2% 1.0 1.998 5.734 184 184 A 14 GLN H A 13 ILE HG13 1.0 1.992 5.512 185 185 A 3 LEU HD1% A 7 ALA H 1.0 1.973 5.087 186 186 A 10 SER H A 3 LEU HD1% 1.0 1.989 5.433 187 187 A 15 LYS H A 13 ILE HG2% 1.0 1.972 5.078 188 188 A 16 ILE HG2% A 2 CYS H 1.0 1.966 4.990 189 189 A 3 LEU HD1% A 8 ALA H 1.0 1.969 5.031 190 190 A 3 LEU HD1% A 14 GLN HE22 1.0 1.713 3.257 191 191 A 3 LEU HD2% A 14 GLN HE22 1.0 1.992 5.482 192 192 A 9 CYS H A 3 LEU HD1% 1.0 1.997 5.725 193 193 A 13 ILE HG2% A 13 ILE H 1.0 1.848 3.948 194 194 A 3 LEU HD2% A 4 HIS HD2 1.0 1.993 5.519 195 195 A 14 GLN HE21 A 14 GLN HG2 1.0 1.900 4.310 196 196 A 14 GLN HG3 A 14 GLN HE21 1.0 1.884 4.190 197 197 A 14 GLN HE21 A 14 GLN HB3 1.0 1.994 5.566 198 198 A 14 GLN HE21 A 14 GLN HB2 1.0 1.998 5.800 199 199 A 3 LEU HD1% A 14 GLN HE21 1.0 1.745 3.395 200 200 A 3 LEU HD2% A 14 GLN HE21 1.0 1.994 5.584 201 201 A 26 LYS HA A 8 ALA HA 1.0 1.806 3.700 202 202 A 7 ALA HA A 26 LYS HA 1.0 1.998 5.794 203 203 A 1 ARG HA A 2 CYS HA 1.0 1.974 5.122 204 204 A 28 THR HA A 27 CYS HA 1.0 1.956 4.860 205 205 A 27 CYS HB2 A 27 CYS HA 1.0 1.905 7.835 206 206 A 25 ARG HA A 26 LYS HA 1.0 1.987 6.675 207 207 A 17 PRO HD3 A 2 CYS HA 1.0 2.000 5.980 208 208 A 28 THR HB A 28 THR HA 1.0 1.564 2.702 209 209 A 21 THR HB A 21 THR HA 1.0 1.676 3.106 210 210 A 27 CYS HB2 A 18 CYS HA 1.0 1.942 7.424 211 211 A 11 GLY HA2 A 11 GLY HA3 1.0 1.587 2.777 212 212 A 17 PRO HA A 17 PRO HD2 1.0 1.980 6.822 213 213 A 17 PRO HD2 A 16 ILE HA 1.0 1.593 2.799 214 214 A 17 PRO HD3 A 16 ILE HA 1.0 1.639 2.959 215 215 A 24 ARG HA A 23 SER HA 1.0 1.933 4.609 216 216 A 11 GLY HA2 A 12 PRO HD2 1.0 1.724 3.302 217 217 A 5 ALA HA A 28 THR HA 1.0 1.872 4.102 218 218 A 5 ALA HA A 4 HIS HA 1.0 1.997 5.713 219 219 A 23 SER HA A 23 SER HB2 1.0 1.818 3.766 220 220 A 23 SER HA A 23 SER HB3 1.0 1.624 2.906 221 221 A 6 GLY HA2 A 6 GLY HA3 1.0 1.836 3.876 222 222 A 11 GLY HA2 A 12 PRO HD3 1.0 1.792 3.628 223 223 A 12 PRO HD2 A 11 GLY HA3 1.0 1.845 3.931 224 224 A 27 CYS HB2 A 5 ALA HA 1.0 1.919 4.473 225 225 A 17 PRO HD3 A 17 PRO HD2 1.0 1.439 2.323 226 226 A 12 PRO HD3 A 11 GLY HA3 1.0 1.763 3.481 227 227 A 12 PRO HD2 A 12 PRO HD3 1.0 1.407 2.237 228 228 A 5 ALA HA A 6 GLY HA3 1.0 1.957 4.863 229 229 A 23 SER HB2 A 23 SER HB3 1.0 1.260 1.874 230 230 A 18 CYS HB2 A 27 CYS HA 1.0 1.793 8.777 231 231 A 27 CYS HA A 22 CYS HB2 1.0 1.946 7.376 232 232 A 27 CYS HA A 27 CYS HB3 1.0 1.901 4.323 233 233 A 22 CYS HA A 22 CYS HB2 1.0 1.951 4.795 234 234 A 22 CYS HA A 22 CYS HB3 1.0 1.873 4.107 235 235 A 2 CYS HA A 2 CYS HB2 1.0 1.865 4.057 236 236 A 18 CYS HB2 A 18 CYS HA 1.0 1.953 4.817 237 237 A 17 PRO HA A 18 CYS HB2 1.0 1.836 8.454 238 238 A 4 HIS HA A 4 HIS HB3 1.0 1.877 4.137 239 239 A 4 HIS HA A 4 HIS HB2 1.0 1.764 3.486 240 240 A 20 GLY HA3 A 20 GLY HA2 1.0 1.769 3.513 241 241 A 19 CYS HA A 19 CYS HB2 1.0 1.972 6.976 242 242 A 18 CYS HA A 2 CYS HB3 1.0 1.955 4.845 243 243 A 18 CYS HA A 2 CYS HB2 1.0 1.999 6.187 244 244 A 19 CYS HA A 2 CYS HB2 1.0 1.999 6.141 245 245 A 19 CYS HA A 19 CYS HB3 1.0 1.747 3.409 246 246 A 12 PRO HA A 12 PRO HB2 1.0 1.741 3.377 247 247 A 14 GLN HG2 A 14 GLN HA 1.0 1.939 4.665 248 248 A 14 GLN HG3 A 14 GLN HA 1.0 1.894 4.266 249 249 A 14 GLN HB3 A 14 GLN HA 1.0 1.826 3.812 250 250 A 3 LEU HB3 A 3 LEU HA 1.0 1.834 3.856 251 251 A 3 LEU HB3 A 18 CYS HA 1.0 1.759 3.463 252 252 A 12 PRO HA A 12 PRO HB3 1.0 1.778 3.556 253 253 A 14 GLN HA A 14 GLN HB2 1.0 1.800 3.672 254 254 A 10 SER HA A 14 GLN HB2 1.0 1.963 4.955 255 255 A 17 PRO HA A 17 PRO HG3 1.0 1.998 5.744 256 256 A 16 ILE HA A 16 ILE HB 1.0 1.918 4.460 257 257 A 17 PRO HG2 A 2 CYS HA 1.0 1.995 5.609 258 258 A 17 PRO HG3 A 2 CYS HA 1.0 1.971 5.065 259 259 A 26 LYS HB2 A 26 LYS HA 1.0 1.802 3.682 260 260 A 26 LYS HB3 A 26 LYS HA 1.0 1.764 3.490 261 261 A 8 ALA HB% A 26 LYS HA 1.0 1.880 4.160 262 262 A 3 LEU HG A 2 CYS HA 1.0 1.971 5.065 263 263 A 27 CYS HA A 28 THR HG2% 1.0 1.893 4.261 264 264 A 22 CYS HA A 28 THR HG2% 1.0 1.946 4.732 265 265 A 22 CYS HA A 21 THR HG2% 1.0 1.995 5.593 266 266 A 3 LEU HD2% A 2 CYS HA 1.0 1.849 8.353 267 267 A 3 LEU HG A 3 LEU HA 1.0 1.773 3.535 268 268 A 8 ALA HB% A 8 ALA HA 1.0 1.477 2.431 269 269 A 16 ILE HG12 A 16 ILE HA 1.0 1.884 4.184 270 270 A 3 LEU HG A 18 CYS HA 1.0 1.894 4.262 271 271 A 3 LEU HB2 A 18 CYS HA 1.0 1.835 3.871 272 272 A 5 ALA HB% A 6 GLY HA2 1.0 1.971 5.075 273 273 A 3 LEU HB2 A 3 LEU HA 1.0 1.698 3.192 274 274 A 28 THR HB A 28 THR HG2% 1.0 1.507 2.523 275 275 A 16 ILE HA A 16 ILE HG13 1.0 1.876 4.128 276 276 A 23 SER HA A 21 THR HG2% 1.0 1.986 5.352 277 277 A 23 SER HA A 28 THR HG2% 1.0 1.975 5.145 278 278 A 21 THR HA A 21 THR HG2% 1.0 1.645 2.985 279 279 A 3 LEU HD1% A 18 CYS HA 1.0 1.881 4.165 280 280 A 3 LEU HD2% A 18 CYS HA 1.0 1.980 5.220 281 281 A 16 ILE HG2% A 16 ILE HA 1.0 1.650 3.004 282 282 A 16 ILE HD1% A 16 ILE HA 1.0 1.809 3.721 283 283 A 3 LEU HD1% A 17 PRO HA 1.0 1.966 4.996 284 284 A 3 LEU HD1% A 3 LEU HA 1.0 1.868 4.074 285 285 A 16 ILE HG2% A 3 LEU HA 1.0 1.956 4.852 286 286 A 3 LEU HD2% A 3 LEU HA 1.0 1.538 2.618 287 287 A 13 ILE HG2% A 14 GLN HA 1.0 1.927 4.539 288 288 A 13 ILE HB A 13 ILE HA 1.0 1.838 3.884 289 289 A 1 ARG HA A 1 ARG HB3 1.0 1.942 4.706 290 290 A 1 ARG HA A 1 ARG HB2 1.0 1.884 4.190 291 291 A 7 ALA HB% A 7 ALA HA 1.0 1.414 2.254 292 292 A 13 ILE HA A 13 ILE HG12 1.0 1.972 5.088 293 293 A 5 ALA HB% A 28 THR HA 1.0 1.764 3.486 294 294 A 13 ILE HG13 A 13 ILE HA 1.0 1.970 5.046 295 295 A 13 ILE HG2% A 13 ILE HA 1.0 1.677 3.109 296 296 A 3 LEU HD2% A 7 ALA HA 1.0 1.994 5.550 297 297 A 15 LYS HA A 15 LYS HG2 1.0 1.956 4.858 298 298 A 15 LYS HA A 15 LYS HG3 1.0 1.968 5.010 299 299 A 15 LYS HA A 16 ILE HG12 1.0 1.995 5.615 300 300 A 27 CYS HB2 A 7 ALA HB% 1.0 1.939 4.663 301 301 A 27 CYS HB2 A 3 LEU HB2 1.0 1.973 5.107 302 302 A 21 THR HB A 28 THR HG2% 1.0 1.914 4.426 303 303 A 21 THR HB A 21 THR HG2% 1.0 1.628 2.922 304 304 A 21 THR HA A 22 CYS HB2 1.0 1.953 4.827 305 305 A 21 THR HA A 22 CYS HB3 1.0 1.806 8.686 306 306 A 21 THR HB A 22 CYS HB2 1.0 2.000 5.982 307 307 A 17 PRO HD2 A 2 CYS HB2 1.0 1.887 8.009 308 308 A 27 CYS HB2 A 27 CYS HB3 1.0 1.464 2.394 309 309 A 5 ALA HA A 27 CYS HB3 1.0 1.781 3.573 310 310 A 18 CYS HB2 A 27 CYS HB3 1.0 1.946 4.734 311 311 A 19 CYS HB2 A 19 CYS HB3 1.0 1.377 2.157 312 312 A 4 HIS HB2 A 4 HIS HB3 1.0 1.376 2.154 313 313 A 22 CYS HB2 A 22 CYS HB3 1.0 1.437 2.321 314 314 A 12 PRO HD3 A 12 PRO HB2 1.0 1.918 4.464 315 315 A 12 PRO HD2 A 12 PRO HB2 1.0 1.962 4.926 316 316 A 27 CYS HB2 A 18 CYS HB3 1.0 1.978 5.178 317 317 A 17 PRO HD2 A 17 PRO HG2 1.0 1.758 3.458 318 318 A 12 PRO HD2 A 12 PRO HB3 1.0 1.765 3.493 319 319 A 17 PRO HD2 A 17 PRO HG3 1.0 1.797 3.653 320 320 A 17 PRO HD2 A 16 ILE HB 1.0 1.972 5.080 321 321 A 17 PRO HD3 A 17 PRO HG3 1.0 1.871 4.093 322 322 A 5 ALA HB% A 5 ALA HA 1.0 1.528 2.588 323 323 A 23 SER HB2 A 28 THR HG2% 1.0 1.660 3.042 324 324 A 23 SER HB2 A 21 THR HG2% 1.0 1.959 4.895 325 325 A 16 ILE HG2% A 17 PRO HD3 1.0 1.855 3.993 326 326 A 16 ILE HD1% A 17 PRO HD2 1.0 2.000 6.090 327 327 A 16 ILE HD1% A 17 PRO HD3 1.0 2.000 5.922 328 328 A 6 GLY HA3 A 26 LYS HB2 1.0 1.972 5.074 329 329 A 6 GLY HA3 A 26 LYS HB3 1.0 1.918 4.456 330 330 A 7 ALA HB% A 6 GLY HA3 1.0 1.977 5.167 331 331 A 5 ALA HB% A 6 GLY HA3 1.0 1.979 6.825 332 332 A 23 SER HB3 A 28 THR HG2% 1.0 1.686 3.142 333 333 A 23 SER HB3 A 21 THR HG2% 1.0 1.832 3.852 334 334 A 20 GLY HA2 A 19 CYS HB3 1.0 1.995 5.617 335 335 A 18 CYS HB3 A 18 CYS HB2 1.0 1.436 2.316 336 336 A 17 PRO HG2 A 2 CYS HB3 1.0 1.997 5.663 337 337 A 17 PRO HG3 A 2 CYS HB2 1.0 1.997 5.663 338 338 A 7 ALA HB% A 18 CYS HB2 1.0 1.987 5.349 339 339 A 3 LEU HB2 A 18 CYS HB2 1.0 1.950 4.784 340 340 A 5 ALA HB% A 4 HIS HB3 1.0 1.935 4.625 341 341 A 3 LEU HD1% A 9 CYS HB3 1.0 1.893 7.957 342 342 A 16 ILE HG2% A 2 CYS HB3 1.0 1.940 7.442 343 343 A 16 ILE HG2% A 2 CYS HB2 1.0 1.978 5.182 344 344 A 7 ALA HB% A 27 CYS HB3 1.0 1.814 3.748 345 345 A 3 LEU HB2 A 27 CYS HB3 1.0 1.987 5.373 346 346 A 14 GLN HG3 A 14 GLN HG2 1.0 1.450 2.354 347 347 A 14 GLN HG2 A 14 GLN HB3 1.0 1.668 3.070 348 348 A 12 PRO HB2 A 12 PRO HB3 1.0 1.655 3.025 349 349 A 14 GLN HG2 A 14 GLN HB2 1.0 1.845 3.929 350 350 A 14 GLN HG3 A 14 GLN HB2 1.0 1.903 4.329 351 351 A 14 GLN HB3 A 14 GLN HB2 1.0 1.514 2.542 352 352 A 17 PRO HG2 A 17 PRO HG3 1.0 1.464 2.392 353 353 A 3 LEU HB3 A 3 LEU HG 1.0 1.619 2.889 354 354 A 3 LEU HB3 A 3 LEU HB2 1.0 1.784 3.588 355 355 A 3 LEU HB3 A 3 LEU HD1% 1.0 1.643 2.975 356 356 A 3 LEU HB3 A 3 LEU HD2% 1.0 1.824 3.802 357 357 A 16 ILE HG12 A 16 ILE HB 1.0 1.875 4.121 358 358 A 13 ILE HB A 13 ILE HG12 1.0 1.913 4.423 359 359 A 26 LYS HD3 A 26 LYS HD2 1.0 1.405 2.229 360 360 A 26 LYS HB2 A 26 LYS HB3 1.0 1.383 2.173 361 361 A 13 ILE HG2% A 12 PRO HB3 1.0 1.958 4.880 362 362 A 3 LEU HD1% A 16 ILE HB 1.0 1.815 3.753 363 363 A 16 ILE HG2% A 16 ILE HB 1.0 1.571 2.723 364 364 A 16 ILE HD1% A 16 ILE HB 1.0 1.725 3.309 365 365 A 3 LEU HD2% A 16 ILE HB 1.0 1.816 3.760 366 366 A 15 LYS HG2 A 15 LYS HG3 1.0 1.597 2.811 367 367 A 13 ILE HG13 A 13 ILE HG12 1.0 1.522 2.566 368 368 A 16 ILE HG12 A 16 ILE HG13 1.0 1.493 2.479 369 369 A 13 ILE HD1% A 13 ILE HG12 1.0 1.497 2.493 370 370 A 3 LEU HD1% A 3 LEU HB2 1.0 1.699 3.201 371 371 A 3 LEU HG A 16 ILE HG2% 1.0 1.600 2.822 372 372 A 16 ILE HD1% A 16 ILE HG12 1.0 1.640 2.966 373 373 A 3 LEU HG A 3 LEU HD2% 1.0 1.599 2.821 374 374 A 3 LEU HB2 A 3 LEU HD2% 1.0 1.686 3.144 375 375 A 13 ILE HD1% A 13 ILE HG13 1.0 1.499 2.497 376 376 A 16 ILE HD1% A 16 ILE HG13 1.0 1.600 2.822 377 377 A 3 LEU HD1% A 3 LEU HD2% 1.0 1.759 3.465 378 378 A 18 CYS HA A 19 CYS HB3 1.0 1.989 5.421 379 379 A 9 CYS HB2 A 10 SER HA 1.0 1.999 6.093 380 380 A 21 THR HA A 20 GLY HA2 1.0 1.900 7.896 381 381 A 22 CYS HA A 23 SER HB2 1.0 2.000 6.024 382 382 A 7 ALA HB% A 9 CYS HB3 1.0 1.986 5.332 383 383 A 18 CYS H A 3 LEU H 1.0 1.977 5.161 384 384 A 10 SER H A 9 CYS H 1.0 1.922 4.494 385 385 A 9 CYS H A 8 ALA H 1.0 1.969 5.041 386 386 A 28 THR H A 21 THR H 1.0 1.761 3.473 387 387 A 10 SER H A 11 GLY H 1.0 1.673 3.093 388 388 A 7 ALA H A 27 CYS H 1.0 1.835 3.867 389 389 A 7 ALA H A 6 GLY H 1.0 1.642 2.972 390 390 A 25 ARG H A 26 LYS H 1.0 1.695 3.179 391 391 A 26 LYS H A 23 SER H 1.0 1.756 3.452 392 392 A 4 HIS H A 4 HIS HD2 1.0 1.813 3.739 393 393 A 28 THR H A 23 SER H 1.0 1.967 5.009 394 394 A 27 CYS H A 6 GLY H 1.0 1.964 4.960 395 395 A 3 LEU H A 4 HIS H 1.0 1.985 5.317 396 396 A 3 LEU H A 2 CYS H 1.0 1.982 5.258 397 397 A 5 ALA H A 4 HIS H 1.0 1.941 4.685 398 398 A 5 ALA H A 4 HIS HD2 1.0 1.952 4.810 399 399 A 10 SER H A 14 GLN HE22 1.0 1.995 5.625 400 400 A 19 CYS H A 4 HIS H 1.0 1.996 5.674 401 401 A 24 ARG H A 23 SER H 1.0 1.977 5.167 402 402 A 19 CYS H A 18 CYS H 1.0 1.989 5.417 403 403 A 24 ARG H A 25 ARG H 1.0 1.713 3.255 404 404 A 25 ARG H A 23 SER H 1.0 1.983 5.281 405 405 A 22 CYS H A 21 THR H 1.0 1.983 5.289 406 406 A 9 CYS H A 27 CYS H 1.0 1.946 4.742 407 407 A 26 LYS H A 27 CYS H 1.0 1.968 5.018 408 408 A 24 ARG H A 26 LYS H 1.0 1.991 5.497 409 409 A 25 ARG H A 9 CYS H 1.0 1.990 5.450 410 410 A 9 CYS H A 25 ARG HA 1.0 1.854 3.986 411 411 A 20 GLY H A 19 CYS HB2 1.0 1.895 4.273 412 412 A 16 ILE HG2% A 16 ILE H 1.0 1.928 4.552 413 413 A 22 CYS HA A 27 CYS HA 1.0 1.716 3.270 414 414 A 2 CYS HA A 2 CYS HB3 1.0 1.693 3.171 415 415 A 28 THR HA A 28 THR HG2% 1.0 1.608 2.850 416 416 A 2 CYS HB3 A 2 CYS HB2 1.0 1.454 2.368 417 417 A 12 PRO HD3 A 13 ILE H 1.0 1.991 5.463 418 418 A 5 ALA HB% A 4 HIS HE1 1.0 1.966 4.984 419 419 A 23 SER H A 26 LYS HA 1.0 1.997 5.675 420 420 A 27 CYS HB2 A 5 ALA H 1.0 1.997 5.659 421 421 A 7 ALA H A 4 HIS H 1.0 1.998 5.754 422 422 A 19 CYS H A 18 CYS HB2 1.0 1.750 3.418 423 423 A 7 ALA HB% A 27 CYS H 1.0 1.784 3.584 424 424 A 18 CYS H A 22 CYS HB2 1.0 1.987 5.371 425 425 A 18 CYS H A 17 PRO HG3 1.0 1.976 5.154 426 426 A 27 CYS HA A 22 CYS H 1.0 1.998 5.786 427 427 A 10 SER H A 14 GLN HB3 1.0 1.972 5.080 428 428 A 16 ILE H A 17 PRO HD2 1.0 1.936 7.488 429 429 A 16 ILE H A 16 ILE HG12 1.0 1.776 3.548 430 430 A 12 PRO HB2 A 13 ILE H 1.0 1.994 6.440 431 431 A 16 ILE HG2% A 17 PRO HD2 1.0 1.706 3.224 432 432 A 17 PRO HD3 A 17 PRO HG2 1.0 1.752 3.430 433 433 A 16 ILE HB A 16 ILE HG13 1.0 1.933 4.603 434 434 A 7 ALA HB% A 3 LEU HB2 1.0 1.371 2.143 435 435 A 26 LYS HB2 A 27 CYS H 1.0 1.838 3.882 436 436 A 28 THR H A 18 CYS HB2 1.0 1.943 4.705 437 437 A 3 LEU H A 18 CYS HB2 1.0 1.726 3.312 438 438 A 5 ALA H A 6 GLY H 1.0 1.903 4.333 439 439 A 18 CYS H A 14 GLN HE21 1.0 1.840 3.898 440 440 A 10 SER H A 14 GLN HE21 1.0 1.933 4.609 441 441 A 18 CYS HB3 A 21 THR H 1.0 1.988 5.380 442 442 A 10 SER HA A 11 GLY H 1.0 1.686 3.144 443 443 A 11 GLY H A 22 CYS HB3 1.0 2.000 5.902 444 444 A 11 GLY H A 14 GLN HG2 1.0 1.977 5.167 445 445 A 9 CYS H A 8 ALA HB% 1.0 1.673 3.091 446 446 A 16 ILE H A 14 GLN HA 1.0 1.957 4.861 447 447 A 16 ILE H A 16 ILE HG13 1.0 1.868 4.078 448 448 A 13 ILE H A 13 ILE HG12 1.0 1.913 4.417 449 449 A 14 GLN HE21 A 22 CYS HB2 1.0 1.987 5.371 450 450 A 17 PRO HA A 14 GLN HE21 1.0 1.827 3.817 451 451 A 17 PRO HD2 A 2 CYS HA 1.0 1.895 4.275 452 452 A 16 ILE HG2% A 2 CYS HA 1.0 1.632 2.934 453 453 A 12 PRO HD3 A 12 PRO HB3 1.0 1.904 4.346 454 454 A 17 PRO HD2 A 2 CYS HB3 1.0 1.983 5.291 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 26 LYS H A 23 SER O 1.0 1.730 2.700 2 2 A 21 THR H A 28 THR O 1.0 1.730 2.700 3 3 A 28 THR H A 21 THR O 1.0 1.730 2.700 4 4 A 7 ALA H A 27 CYS O 1.0 1.730 2.700 5 5 A 27 CYS H A 7 ALA O 1.0 1.730 2.700 6 6 A 21 THR O A 28 THR N 1.0 2.516 3.927 7 7 A 7 ALA O A 27 CYS N 1.0 2.516 3.927 8 8 A 27 CYS O A 7 ALA N 1.0 2.516 3.927 9 9 A 23 SER O A 26 LYS N 1.0 2.516 3.927 10 10 A 28 THR O A 21 THR N 1.0 2.516 3.927 11 11 A 9 CYS H A 25 ARG O 1.0 1.730 2.700 12 12 A 25 ARG O A 9 CYS N 1.0 2.516 3.927 13 13 A 23 SER H A 26 LYS O 1.0 1.730 2.700 14 14 A 26 LYS O A 23 SER N 1.0 2.516 3.927 15 15 A 25 ARG H A 9 CYS O 1.0 1.730 2.700 16 16 A 9 CYS O A 25 ARG N 1.0 2.516 3.927 17 17 A 3 LEU H A 17 PRO O 1.0 1.730 2.700 18 18 A 17 PRO O A 3 LEU N 1.0 2.516 3.927 19 19 A 19 CYS H A 3 LEU O 1.0 1.730 2.700 20 20 A 3 LEU O A 19 CYS N 1.0 2.516 3.927 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _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 2 CYS C A 3 LEU N A 3 LEU CA A 3 LEU C 1.0 -140.0 -35.28 PHI 2 2 A 3 LEU N A 3 LEU CA A 3 LEU C A 4 HIS N 1.0 90.0 168.82 PSI 3 3 A 3 LEU C A 4 HIS N A 4 HIS CA A 4 HIS C 1.0 -110.0 -26.50 PHI 4 4 A 4 HIS N A 4 HIS CA A 4 HIS C A 5 ALA N 1.0 110.0 181.76 PSI 5 5 A 4 HIS C A 5 ALA N A 5 ALA CA A 5 ALA C 1.0 -90.0 -21.24 PHI 6 6 A 5 ALA N A 5 ALA CA A 5 ALA C A 6 GLY N 1.0 110.0 160.42 PSI 7 7 A 6 GLY C A 7 ALA N A 7 ALA CA A 7 ALA C 1.0 -100.0 -42.68 PHI 8 8 A 7 ALA N A 7 ALA CA A 7 ALA C A 8 ALA N 1.0 120.0 169.90 PSI 9 9 A 7 ALA C A 8 ALA N A 8 ALA CA A 8 ALA C 1.0 -160.0 -16.22 PHI 10 10 A 8 ALA N A 8 ALA CA A 8 ALA C A 9 CYS N 1.0 90.0 177.92 PSI 11 11 A 8 ALA C A 9 CYS N A 9 CYS CA A 9 CYS C 1.0 -180.0 -77.52 PHI 12 12 A 9 CYS N A 9 CYS CA A 9 CYS C A 10 SER N 1.0 100.0 198.66 PSI 13 13 A 10 SER C A 11 GLY N A 11 GLY CA A 11 GLY C 1.0 -100.0 -36.92 PHI 14 14 A 11 GLY N A 11 GLY CA A 11 GLY C A 12 PRO N 1.0 100.0 190.08 PSI 15 15 A 11 GLY C A 12 PRO N A 12 PRO CA A 12 PRO C 1.0 -90.0 -32.58 PHI 16 16 A 12 PRO N A 12 PRO CA A 12 PRO C A 13 ILE N 1.0 120.0 164.40 PSI 17 17 A 12 PRO C A 13 ILE N A 13 ILE CA A 13 ILE C 1.0 -150.0 -17.56 PHI 18 18 A 13 ILE N A 13 ILE CA A 13 ILE C A 14 GLN N 1.0 90.0 168.60 PSI 19 19 A 14 GLN C A 15 LYS N A 15 LYS CA A 15 LYS C 1.0 -90.0 -40.00 PHI 20 20 A 15 LYS N A 15 LYS CA A 15 LYS C A 16 ILE N 1.0 120.0 169.98 PSI 21 21 A 15 LYS C A 16 ILE N A 16 ILE CA A 16 ILE C 1.0 -170.0 -73.76 PHI 22 22 A 16 ILE N A 16 ILE CA A 16 ILE C A 17 PRO N 1.0 100.0 199.54 PSI 23 23 A 16 ILE C A 17 PRO N A 17 PRO CA A 17 PRO C 1.0 -100.0 -36.52 PHI 24 24 A 17 PRO N A 17 PRO CA A 17 PRO C A 18 CYS N 1.0 120.0 174.16 PSI 25 25 A 17 PRO C A 18 CYS N A 18 CYS CA A 18 CYS C 1.0 -160.0 -86.20 PHI 26 26 A 18 CYS N A 18 CYS CA A 18 CYS C A 19 CYS N 1.0 100.0 180.30 PSI 27 27 A 18 CYS C A 19 CYS N A 19 CYS CA A 19 CYS C 1.0 -160.0 -84.64 PHI 28 28 A 19 CYS N A 19 CYS CA A 19 CYS C A 20 GLY N 1.0 90.0 172.98 PSI 29 29 A 19 CYS C A 20 GLY N A 20 GLY CA A 20 GLY C 1.0 -180.0 -81.44 PHI 30 30 A 20 GLY N A 20 GLY CA A 20 GLY C A 21 THR N 1.0 100.0 179.08 PSI 31 31 A 20 GLY C A 21 THR N A 21 THR CA A 21 THR C 1.0 -150.0 -82.24 PHI 32 32 A 21 THR N A 21 THR CA A 21 THR C A 22 CYS N 1.0 100.0 166.40 PSI 33 33 A 21 THR C A 22 CYS N A 22 CYS CA A 22 CYS C 1.0 -150.0 -72.08 PHI 34 34 A 22 CYS N A 22 CYS CA A 22 CYS C A 23 SER N 1.0 100.0 150.08 PSI 35 35 A 22 CYS C A 23 SER N A 23 SER CA A 23 SER C 1.0 -180.0 -12.66 PHI 36 36 A 23 SER N A 23 SER CA A 23 SER C A 24 ARG N 1.0 60.0 180.24 PSI 37 37 A 25 ARG C A 26 LYS N A 26 LYS CA A 26 LYS C 1.0 -180.0 -55.18 PHI 38 38 A 26 LYS N A 26 LYS CA A 26 LYS C A 27 CYS N 1.0 110.0 194.34 PSI stop_ save_