data_nef_c34183_6ena 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 6ENA 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 16 CYS SG 1 9 CYS SG 1 20 CYS SG 1 15 CYS SG 1 26 CYS SG 1 27 ASN C 1 28 HYP N 1 28 HYP C 1 29 HYP N 1 29 HYP C 1 30 ASN N 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 THR middle . . 6 A 6 GLY middle . false 7 A 7 SER middle . . 8 A 8 PHE middle . . 9 A 9 CYS middle -HG . 10 A 10 THR middle . . 11 A 11 LEU middle . . 12 A 12 SER middle . . 13 A 13 LYS middle . . 14 A 14 GLY middle . false 15 A 15 CYS middle -HG . 16 A 16 CYS middle -HG . 17 A 17 THR middle . . 18 A 18 LYS middle . . 19 A 19 ASN middle . . 20 A 20 CYS middle -HG . 21 A 21 GLY middle . false 22 A 22 TRP middle . . 23 A 23 ASN middle . . 24 A 24 PHE middle . . 25 A 25 LYS middle . . 26 A 26 CYS middle -HG . 27 A 27 ASN middle -OXT . 28 A 28 HYP middle -H,-OXT . 29 A 29 HYP middle -H,-OXT . 30 A 30 ASN middle -H2 . 31 A 31 GLN 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 GLY HAx H 1 3.920 0.000 A 1 GLY HAy H 1 3.920 0.000 A 1 GLY CA C 13 43.279 0.000 A 2 CYS H H 1 8.569 0.000 A 2 CYS HA H 1 4.937 0.000 A 2 CYS HBy H 1 3.208 0.000 A 2 CYS HBx H 1 2.960 0.000 A 2 CYS CA C 13 53.964 0.000 A 2 CYS CB C 13 42.712 0.000 A 2 CYS N N 15 116.216 0.000 A 3 ILE H H 1 9.019 0.000 A 3 ILE HA H 1 3.978 0.000 A 3 ILE HB H 1 1.712 0.000 A 3 ILE HD1% H 1 0.952 0.000 A 3 ILE HG1y H 1 1.642 0.000 A 3 ILE HG1x H 1 1.041 0.000 A 3 ILE HG2% H 1 1.088 0.000 A 3 ILE CA C 13 62.504 0.000 A 3 ILE CB C 13 39.319 0.000 A 3 ILE CD1 C 13 13.995 0.000 A 3 ILE CG1 C 13 27.693 0.016 A 3 ILE CG2 C 13 19.893 0.000 A 3 ILE N N 15 121.509 0.000 A 4 ALA H H 1 8.795 0.000 A 4 ALA HA H 1 4.177 0.000 A 4 ALA HB% H 1 1.449 0.000 A 4 ALA CA C 13 52.011 0.000 A 4 ALA CB C 13 19.428 0.000 A 4 ALA N N 15 132.105 0.000 A 5 THR H H 1 8.604 0.000 A 5 THR HA H 1 3.899 0.000 A 5 THR HB H 1 3.649 0.000 A 5 THR HG2% H 1 1.183 0.000 A 5 THR CA C 13 64.819 0.054 A 5 THR CB C 13 67.909 0.000 A 5 THR CG2 C 13 22.828 0.000 A 5 THR N N 15 119.236 0.000 A 6 GLY H H 1 9.717 0.000 A 6 GLY HAy H 1 4.497 0.000 A 6 GLY HAx H 1 3.717 0.000 A 6 GLY CA C 13 44.804 0.000 A 6 GLY N N 15 116.696 0.000 A 7 SER H H 1 7.993 0.000 A 7 SER HA H 1 4.712 0.000 A 7 SER HBy H 1 4.122 0.000 A 7 SER HBx H 1 4.007 0.000 A 7 SER CA C 13 58.574 0.000 A 7 SER CB C 13 64.408 0.000 A 7 SER N N 15 116.922 0.000 A 8 PHE H H 1 8.217 0.000 A 8 PHE HA H 1 5.083 0.000 A 8 PHE HBy H 1 3.184 0.000 A 8 PHE HBx H 1 2.944 0.000 A 8 PHE HDx H 1 7.381 0.000 A 8 PHE HDy H 1 7.381 0.000 A 8 PHE HEx H 1 7.262 0.000 A 8 PHE HEy H 1 7.262 0.000 A 8 PHE CA C 13 58.428 0.000 A 8 PHE CB C 13 39.884 0.000 A 8 PHE N N 15 120.726 0.000 A 9 CYS H H 1 7.811 0.000 A 9 CYS HA H 1 4.575 0.000 A 9 CYS HBy H 1 3.039 0.000 A 9 CYS HBx H 1 2.849 0.000 A 9 CYS CA C 13 53.008 0.000 A 9 CYS CB C 13 47.119 0.005 A 9 CYS N N 15 120.282 0.000 A 10 THR H H 1 7.991 0.000 A 10 THR HA H 1 4.408 0.000 A 10 THR HB H 1 4.177 0.000 A 10 THR HG2% H 1 1.137 0.000 A 10 THR CA C 13 61.889 0.000 A 10 THR CB C 13 70.035 0.000 A 10 THR CG2 C 13 22.520 0.000 A 10 THR N N 15 104.643 0.000 A 11 LEU H H 1 7.687 0.000 A 11 LEU HA H 1 4.799 0.000 A 11 LEU HBy H 1 1.688 0.000 A 11 LEU HBx H 1 1.630 0.000 A 11 LEU HDx% H 1 0.958 0.000 A 11 LEU HDy% H 1 0.933 0.000 A 11 LEU HG H 1 1.626 0.000 A 11 LEU CA C 13 53.418 0.000 A 11 LEU CDy C 13 25.366 0.000 A 11 LEU CG C 13 26.746 0.000 A 11 LEU N N 15 122.256 0.000 A 12 SER H H 1 9.122 0.000 A 12 SER HA H 1 3.968 0.002 A 12 SER HBx H 1 3.847 0.002 A 12 SER HBy H 1 3.847 0.002 A 12 SER CA C 13 63.063 0.000 A 12 SER CB C 13 62.628 0.000 A 12 SER N N 15 122.358 0.000 A 13 LYS H H 1 8.304 0.000 A 13 LYS HA H 1 3.997 0.000 A 13 LYS HBy H 1 1.848 0.000 A 13 LYS HBx H 1 1.769 0.000 A 13 LYS HGx H 1 1.380 0.000 A 13 LYS HGy H 1 1.380 0.000 A 13 LYS CA C 13 58.407 0.000 A 13 LYS CB C 13 31.743 0.000 A 13 LYS CG C 13 24.127 0.000 A 13 LYS N N 15 117.738 0.000 A 14 GLY H H 1 7.461 0.000 A 14 GLY HAy H 1 4.209 0.000 A 14 GLY HAx H 1 3.795 0.000 A 14 GLY CA C 13 45.208 0.000 A 14 GLY N N 15 102.896 0.000 A 15 CYS H H 1 7.662 0.000 A 15 CYS HA H 1 4.986 0.000 A 15 CYS HBy H 1 3.303 0.000 A 15 CYS HBx H 1 2.734 0.000 A 15 CYS CA C 13 55.426 0.000 A 15 CYS CB C 13 38.119 0.000 A 15 CYS N N 15 118.858 0.000 A 16 CYS H H 1 9.794 0.000 A 16 CYS HA H 1 4.521 0.000 A 16 CYS HBy H 1 3.225 0.000 A 16 CYS HBx H 1 3.123 0.000 A 16 CYS CA C 13 53.929 0.000 A 16 CYS CB C 13 38.301 0.000 A 16 CYS N N 15 127.951 0.000 A 17 THR H H 1 8.521 0.000 A 17 THR HA H 1 4.096 0.000 A 17 THR HB H 1 4.486 0.000 A 17 THR HG2% H 1 1.180 0.000 A 17 THR CA C 13 61.832 0.000 A 17 THR CB C 13 71.167 0.000 A 17 THR CG2 C 13 21.539 0.000 A 17 THR N N 15 107.902 0.000 A 18 LYS H H 1 7.667 0.001 A 18 LYS HA H 1 4.164 0.000 A 18 LYS HBy H 1 2.112 0.000 A 18 LYS HBx H 1 1.887 0.000 A 18 LYS HGy H 1 1.395 0.000 A 18 LYS HGx H 1 1.283 0.000 A 18 LYS CA C 13 56.310 0.000 A 18 LYS CB C 13 28.988 0.000 A 18 LYS CG C 13 24.799 0.000 A 18 LYS N N 15 112.713 0.000 A 19 ASN H H 1 7.263 0.000 A 19 ASN HA H 1 4.838 0.000 A 19 ASN HBy H 1 2.900 0.000 A 19 ASN HBx H 1 2.432 0.000 A 19 ASN HD2y H 1 7.016 0.000 A 19 ASN HD2x H 1 6.888 0.000 A 19 ASN CA C 13 52.521 0.000 A 19 ASN CB C 13 38.974 0.000 A 19 ASN N N 15 114.706 0.000 A 19 ASN ND2 N 15 111.514 0.012 A 20 CYS H H 1 8.627 0.000 A 20 CYS HA H 1 4.865 0.000 A 20 CYS HBy H 1 2.674 0.000 A 20 CYS HBx H 1 2.602 0.000 A 20 CYS CA C 13 54.903 0.000 A 20 CYS CB C 13 39.502 0.000 A 20 CYS N N 15 127.203 0.000 A 21 GLY H H 1 8.366 0.000 A 21 GLY HAy H 1 4.279 0.000 A 21 GLY HAx H 1 3.759 0.000 A 21 GLY CA C 13 45.234 0.000 A 21 GLY N N 15 114.015 0.000 A 22 TRP H H 1 8.154 0.000 A 22 TRP HA H 1 4.127 0.000 A 22 TRP HBy H 1 3.346 0.000 A 22 TRP HBx H 1 3.194 0.000 A 22 TRP HD1 H 1 7.348 0.000 A 22 TRP HE1 H 1 10.201 0.000 A 22 TRP HE3 H 1 7.482 0.000 A 22 TRP HH2 H 1 7.155 0.000 A 22 TRP HZ2 H 1 7.492 0.000 A 22 TRP HZ3 H 1 7.257 0.000 A 22 TRP CA C 13 58.055 0.000 A 22 TRP CB C 13 27.902 0.003 A 22 TRP N N 15 119.938 0.000 A 23 ASN H H 1 7.465 0.000 A 23 ASN HA H 1 4.080 0.000 A 23 ASN HBy H 1 2.648 0.000 A 23 ASN HBx H 1 1.267 0.000 A 23 ASN HD2y H 1 7.248 0.000 A 23 ASN HD2x H 1 6.957 0.000 A 23 ASN CA C 13 51.390 0.000 A 23 ASN CB C 13 35.044 0.000 A 23 ASN N N 15 115.620 0.000 A 23 ASN ND2 N 15 109.617 0.000 A 24 PHE H H 1 7.842 0.000 A 24 PHE HA H 1 3.845 0.000 A 24 PHE HBy H 1 3.682 0.000 A 24 PHE HBx H 1 3.162 0.000 A 24 PHE HDx H 1 7.307 0.000 A 24 PHE HDy H 1 7.307 0.000 A 24 PHE HEx H 1 7.405 0.000 A 24 PHE HEy H 1 7.405 0.000 A 24 PHE CA C 13 59.599 0.000 A 24 PHE CB C 13 34.585 0.000 A 24 PHE N N 15 113.852 0.000 A 25 LYS H H 1 6.551 0.000 A 25 LYS HA H 1 4.962 0.001 A 25 LYS HBy H 1 1.334 0.000 A 25 LYS HBx H 1 1.185 0.000 A 25 LYS HGy H 1 1.216 0.000 A 25 LYS HGx H 1 0.954 0.000 A 25 LYS CA C 13 53.879 0.000 A 25 LYS CB C 13 36.543 0.000 A 25 LYS CG C 13 25.096 0.013 A 25 LYS N N 15 112.704 0.000 A 26 CYS H H 1 8.293 0.000 A 26 CYS HA H 1 5.038 0.000 A 26 CYS HBy H 1 3.372 0.000 A 26 CYS HBx H 1 2.915 0.000 A 26 CYS CA C 13 54.311 0.000 A 26 CYS CB C 13 37.191 0.043 A 26 CYS N N 15 120.427 0.000 A 27 ASN H H 1 9.078 0.000 A 27 ASN HA H 1 5.366 0.000 A 27 ASN HBy H 1 2.759 0.000 A 27 ASN HBx H 1 2.387 0.000 A 27 ASN HD2y H 1 7.438 0.000 A 27 ASN HD2x H 1 6.950 0.000 A 27 ASN CA C 13 50.694 0.000 A 27 ASN CB C 13 40.114 0.000 A 27 ASN N N 15 125.915 0.000 A 27 ASN ND2 N 15 110.664 0.012 A 28 HYP HA H 1 4.853 0.000 A 28 HYP HBy H 1 2.478 0.000 A 28 HYP HBx H 1 1.889 0.000 A 28 HYP HD2y H 1 3.846 0.000 A 28 HYP HD2x H 1 3.702 0.000 A 28 HYP HG H 1 4.630 0.000 A 28 HYP CA C 13 60.747 0.000 A 28 HYP CB C 13 38.440 0.946 A 28 HYP CG C 13 72.442 0.000 A 29 HYP HA H 1 4.480 0.008 A 29 HYP HBy H 1 2.350 0.000 A 29 HYP HBx H 1 2.096 0.000 A 29 HYP HD2y H 1 3.847 0.000 A 29 HYP HD2x H 1 3.707 0.000 A 29 HYP HG H 1 4.640 0.000 A 29 HYP CA C 13 62.267 0.000 A 29 HYP CB C 13 39.412 0.000 A 29 HYP CG C 13 72.291 0.000 A 30 ASN H H 1 8.820 0.000 A 30 ASN HA H 1 4.523 0.000 A 30 ASN HBy H 1 2.871 0.000 A 30 ASN HBx H 1 2.833 0.000 A 30 ASN HD2y H 1 7.512 0.000 A 30 ASN HD2x H 1 6.811 0.000 A 30 ASN CA C 13 57.839 0.000 A 30 ASN CB C 13 38.249 0.009 A 30 ASN ND2 N 15 111.822 0.000 A 31 GLN H H 1 7.805 0.000 A 31 GLN HA H 1 4.223 0.000 A 31 GLN HBy H 1 2.129 0.000 A 31 GLN HBx H 1 1.812 0.000 A 31 GLN HE2x H 1 6.882 0.000 A 31 GLN HE2y H 1 7.601 0.000 A 31 GLN HGx H 1 2.261 0.000 A 31 GLN HGy H 1 2.261 0.000 A 31 GLN CA C 13 57.051 0.000 A 31 GLN CB C 13 30.698 0.016 A 31 GLN CG C 13 34.167 0.000 A 31 GLN N N 15 124.156 0.000 A 31 GLN NE2 N 15 112.882 0.000 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 4 ALA H A 4 ALA HB% 1.0 1.8 3.26 2 2 A 5 THR H A 5 THR HG2% 1.0 1.8 4.09 3 3 A 15 CYS HBx A 18 LYS H 1.0 1.8 4.71 4 4 A 15 CYS H A 15 CYS HBy 1.0 1.8 3.60 5 5 A 10 THR H A 10 THR HG2% 1.0 1.8 3.82 6 6 A 8 PHE H A 8 PHE HBy 1.0 1.8 3.09 7 7 A 8 PHE H A 8 PHE HBx 1.0 1.8 3.09 8 8 A 16 CYS H A 16 CYS HBx 1.0 1.8 3.91 9 9 A 25 LYS H A 25 LYS HBx 1.0 1.8 3.85 10 10 A 25 LYS H A 25 LYS HGy 1.0 1.8 5.05 11 11 A 16 CYS H A 16 CYS HBy 1.0 1.8 3.91 12 12 A 11 LEU H A 11 LEU HDx% 1.0 1.8 5.50 13 13 A 11 LEU H A 3 ILE HD1% 1.0 1.8 5.50 14 14 A 12 SER H A 12 SER HBx 1.0 1.8 3.07 15 14 A 12 SER H A 12 SER HBy 1.0 1.8 3.07 16 15 A 18 LYS H A 18 LYS HDy 1.0 1.8 5.23 17 16 A 18 LYS H A 18 LYS HGy 1.0 1.8 4.52 18 17 A 25 LYS H A 25 LYS HBy 1.0 1.8 4.09 19 18 A 20 CYS H A 20 CYS HBx 1.0 1.8 3.38 20 19 A 20 CYS H A 20 CYS HBy 1.0 1.8 3.48 21 20 A 3 ILE H A 3 ILE HB 1.0 1.8 3.08 22 21 A 3 ILE H A 3 ILE HG1y 1.0 1.8 4.05 23 22 A 3 ILE HD1% A 3 ILE H 1.0 1.8 4.15 24 23 A 3 ILE H A 3 ILE HG2% 1.0 1.8 4.13 25 24 A 3 ILE HG2% A 7 SER H 1.0 1.8 4.37 26 25 A 4 ALA H A 3 ILE HA 1.0 1.8 2.61 27 26 A 4 ALA H A 3 ILE HB 1.0 1.8 4.89 28 27 A 4 ALA H A 3 ILE HG2% 1.0 1.8 3.55 29 28 A 4 ALA H A 3 ILE HG1y 1.0 1.8 4.47 30 29 A 4 ALA H A 3 ILE HD1% 1.0 1.8 5.50 31 30 A 5 THR H A 5 THR HB 1.0 1.8 3.79 32 31 A 4 ALA HB% A 5 THR H 1.0 1.8 3.29 33 32 A 5 THR H A 4 ALA HA 1.0 1.8 2.71 34 33 A 5 THR HB A 6 GLY H 1.0 1.8 2.84 35 34 A 5 THR HG2% A 6 GLY H 1.0 1.8 4.09 36 35 A 8 PHE HA A 9 CYS H 1.0 1.8 2.74 37 36 A 9 CYS H A 8 PHE HBx 1.0 1.8 4.41 38 37 A 9 CYS H A 8 PHE HBy 1.0 1.8 4.41 39 38 A 10 THR H A 9 CYS HA 1.0 1.8 2.91 40 39 A 10 THR H A 9 CYS HBx 1.0 1.8 4.11 41 40 A 10 THR HG2% A 11 LEU H 1.0 1.8 5.14 42 41 A 24 PHE H A 24 PHE HA 1.0 1.8 2.81 43 42 A 25 LYS H A 24 PHE HA 1.0 1.8 3.48 44 43 A 25 LYS H A 24 PHE HBx 1.0 1.8 5.43 45 44 A 25 LYS H A 24 PHE HBy 1.0 1.8 5.28 46 45 A 26 CYS H A 26 CYS HBx 1.0 1.8 3.93 47 46 A 26 CYS H A 26 CYS HBy 1.0 1.8 3.10 48 47 A 26 CYS HBx A 27 ASN H 1.0 1.8 4.09 49 48 A 27 ASN H A 26 CYS HA 1.0 1.8 2.78 50 49 A 27 ASN H A 27 ASN HBy 1.0 1.8 3.14 51 50 A 27 ASN H A 27 ASN HBx 1.0 1.8 4.02 52 51 A 31 GLN H A 31 GLN HGx 1.0 1.8 5.12 53 51 A 31 GLN H A 31 GLN HGy 1.0 1.8 5.12 54 52 A 4 ALA HB% A 6 GLY H 1.0 1.8 5.50 55 53 A 23 ASN H A 23 ASN HBy 1.0 1.8 4.09 56 54 A 23 ASN H A 23 ASN HBx 1.0 1.8 4.09 57 55 A 22 TRP H A 22 TRP HBx 1.0 1.8 4.20 58 56 A 22 TRP H A 22 TRP HBy 1.0 1.8 3.43 59 57 A 21 GLY H A 21 GLY HAx 1.0 1.8 2.94 60 58 A 19 ASN H A 19 ASN HBx 1.0 1.8 3.63 61 59 A 19 ASN H A 19 ASN HBy 1.0 1.8 3.63 62 60 A 11 LEU H A 10 THR HB 1.0 1.8 5.12 63 61 A 12 SER H A 11 LEU HBx 1.0 1.8 4.68 64 62 A 12 SER H A 13 LYS HDx 1.0 1.8 5.05 65 62 A 12 SER H A 13 LYS HDy 1.0 1.8 5.05 66 63 A 12 SER H A 11 LEU HBy 1.0 1.8 4.68 67 64 A 12 SER H A 11 LEU HDx% 1.0 1.8 5.50 68 65 A 12 SER H A 11 LEU HDy% 1.0 1.8 5.50 69 66 A 12 SER H A 11 LEU HA 1.0 1.8 3.44 70 67 A 15 CYS HBy A 16 CYS H 1.0 1.8 4.69 71 68 A 15 CYS HBx A 16 CYS H 1.0 1.8 3.91 72 69 A 16 CYS H A 15 CYS HA 1.0 1.8 2.83 73 70 A 17 THR H A 16 CYS HBx 1.0 1.8 4.36 74 71 A 17 THR H A 16 CYS HBy 1.0 1.8 4.36 75 72 A 22 TRP H A 21 GLY HAx 1.0 1.8 3.52 76 73 A 22 TRP H A 21 GLY HAy 1.0 1.8 3.03 77 74 A 26 CYS H A 25 LYS HA 1.0 1.8 2.88 78 75 A 2 CYS H A 1 GLY HAx 1.0 1.8 3.02 79 75 A 1 GLY HAy A 2 CYS H 1.0 1.8 3.02 80 76 A 2 CYS HA A 3 ILE HG1x 1.0 1.8 4.27 81 77 A 25 LYS HGy A 23 ASN HD2x 1.0 1.8 5.50 82 78 A 20 CYS HBx A 12 SER HA 1.0 1.8 3.88 83 79 A 20 CYS HBy A 12 SER HA 1.0 1.8 2.97 84 80 A 16 CYS H A 3 ILE H 1.0 1.8 3.81 85 81 A 4 ALA HB% A 7 SER H 1.0 1.8 4.64 86 82 A 4 ALA HB% A 16 CYS H 1.0 1.8 5.50 87 83 A 27 ASN H A 17 THR HG2% 1.0 1.8 4.85 88 84 A 5 THR HG2% A 16 CYS H 1.0 1.8 5.43 89 85 A 16 CYS H A 17 THR HG2% 1.0 1.8 5.50 90 86 A 5 THR HG2% A 17 THR H 1.0 1.8 3.31 91 87 A 17 THR H A 17 THR HG2% 1.0 1.8 3.59 92 88 A 25 LYS HBy A 26 CYS H 1.0 1.8 4.24 93 89 A 25 LYS HBy A 9 CYS H 1.0 1.8 5.50 94 90 A 25 LYS HBy A 23 ASN HD2x 1.0 1.8 4.09 95 91 A 5 THR HB A 17 THR H 1.0 1.8 5.46 96 92 A 5 THR HB A 26 CYS H 1.0 1.8 5.27 97 93 A 24 PHE HBx A 8 PHE HD% 1.0 1.8 4.07 98 94 A 24 PHE HBx A 8 PHE HE% 1.0 1.8 3.85 99 95 A 24 PHE HBx A 8 PHE HZ 1.0 1.8 5.10 100 96 A 5 THR HB A 26 CYS HBx 1.0 1.8 3.95 101 97 A 5 THR HB A 26 CYS HBy 1.0 1.8 3.84 102 98 A 25 LYS HBy A 21 GLY H 1.0 1.8 5.50 103 99 A 25 LYS HBx A 6 GLY H 1.0 1.8 5.50 104 100 A 6 GLY H A 26 CYS HBx 1.0 1.8 4.43 105 101 A 6 GLY H A 26 CYS HBy 1.0 1.8 3.51 106 102 A 6 GLY H A 26 CYS HA 1.0 1.8 5.50 107 103 A 6 GLY H A 26 CYS H 1.0 1.8 4.14 108 104 A 7 SER H A 6 GLY H 1.0 1.8 3.37 109 105 A 19 ASN HD2x A 29 HYP HA 1.0 1.8 4.65 110 106 A 19 ASN HD2y A 29 HYP HA 1.0 1.8 4.13 111 107 A 19 ASN H A 17 THR HB 1.0 1.8 5.29 112 108 A 18 LYS H A 16 CYS HA 1.0 1.8 4.75 113 109 A 27 ASN H A 17 THR HB 1.0 1.8 5.50 114 110 A 8 PHE H A 7 SER HA 1.0 1.8 2.99 115 111 A 10 THR H A 11 LEU H 1.0 1.8 2.79 116 112 A 7 SER H A 26 CYS H 1.0 1.8 4.66 117 113 A 7 SER H A 25 LYS HA 1.0 1.8 5.50 118 114 A 7 SER H A 26 CYS HBx 1.0 1.8 5.50 119 115 A 10 THR H A 3 ILE HD1% 1.0 1.8 4.36 120 116 A 3 ILE H A 2 CYS HBx 1.0 1.8 3.95 121 117 A 3 ILE H A 2 CYS HBy 1.0 1.8 3.95 122 118 A 26 CYS HBy A 17 THR H 1.0 1.8 5.50 123 119 A 7 SER H A 26 CYS HBy 1.0 1.8 3.95 124 120 A 23 ASN H A 22 TRP HBy 1.0 1.8 4.77 125 121 A 8 PHE HA A 25 LYS HA 1.0 1.8 4.70 126 122 A 8 PHE H A 25 LYS HA 1.0 1.8 5.50 127 123 A 10 THR H A 9 CYS HBy 1.0 1.8 4.11 128 124 A 19 ASN HD2x A 19 ASN HBx 1.0 1.8 4.09 129 125 A 31 GLN H A 30 ASN H 1.0 1.8 3.87 130 126 A 9 CYS H A 8 PHE HD% 1.0 1.8 5.24 131 127 A 9 CYS H A 24 PHE HBx 1.0 1.8 4.01 132 128 A 10 THR HG2% A 9 CYS H 1.0 1.8 5.20 133 129 A 3 ILE HD1% A 9 CYS H 1.0 1.8 5.50 134 130 A 25 LYS HGy A 9 CYS H 1.0 1.8 5.50 135 131 A 25 LYS H A 24 PHE H 1.0 1.8 3.38 136 132 A 18 LYS H A 18 LYS HEx 1.0 1.8 5.50 137 132 A 18 LYS H A 18 LYS HEy 1.0 1.8 5.50 138 133 A 9 CYS H A 25 LYS HA 1.0 1.8 3.70 139 134 A 16 CYS H A 4 ALA HA 1.0 1.8 4.78 140 135 A 3 ILE H A 4 ALA HA 1.0 1.8 5.50 141 136 A 16 CYS H A 3 ILE HD1% 1.0 1.8 5.50 142 137 A 16 CYS H A 3 ILE HG1x 1.0 1.8 5.50 143 138 A 16 CYS H A 3 ILE HB 1.0 1.8 3.92 144 139 A 25 LYS HGy A 26 CYS H 1.0 1.8 4.97 145 140 A 13 LYS H A 13 LYS HDx 1.0 1.8 4.01 146 140 A 13 LYS HDy A 13 LYS H 1.0 1.8 4.01 147 141 A 3 ILE HD1% A 14 GLY H 1.0 1.8 5.50 148 142 A 14 GLY H A 13 LYS HDx 1.0 1.8 3.78 149 142 A 13 LYS HDy A 14 GLY H 1.0 1.8 3.78 150 143 A 3 ILE HD1% A 8 PHE HD% 1.0 1.8 5.20 151 144 A 25 LYS HGy A 23 ASN HD2y 1.0 1.8 5.44 152 145 A 4 ALA H A 3 ILE HG1x 1.0 1.8 5.27 153 146 A 11 LEU H A 12 SER H 1.0 1.8 5.21 154 147 A 15 CYS H A 12 SER H 1.0 1.8 5.50 155 148 A 18 LYS H A 17 THR H 1.0 1.8 3.47 156 149 A 16 CYS H A 3 ILE HA 1.0 1.8 5.27 157 150 A 20 CYS H A 12 SER HBx 1.0 1.8 3.67 158 150 A 12 SER HBy A 20 CYS H 1.0 1.8 3.67 159 151 A 20 CYS H A 12 SER HA 1.0 1.8 3.21 160 152 A 13 LYS H A 12 SER HBx 1.0 1.8 3.34 161 152 A 12 SER HBy A 13 LYS H 1.0 1.8 3.34 162 153 A 15 CYS H A 12 SER HA 1.0 1.8 4.09 163 154 A 24 PHE HA A 24 PHE HD% 1.0 1.8 3.90 164 155 A 19 ASN H A 12 SER HBx 1.0 1.8 5.50 165 155 A 12 SER HBy A 19 ASN H 1.0 1.8 5.50 166 156 A 24 PHE HA A 8 PHE HE% 1.0 1.8 5.50 167 157 A 12 SER H A 14 GLY H 1.0 1.8 5.50 168 158 A 12 SER H A 13 LYS H 1.0 1.8 3.66 169 159 A 13 LYS H A 14 GLY H 1.0 1.8 3.70 170 160 A 13 LYS H A 13 LYS HBx 1.0 1.8 3.61 171 161 A 13 LYS H A 13 LYS HBy 1.0 1.8 3.61 172 162 A 13 LYS H A 13 LYS HGx 1.0 1.8 3.41 173 162 A 13 LYS H A 13 LYS HGy 1.0 1.8 3.41 174 163 A 15 CYS HBy A 3 ILE H 1.0 1.8 5.50 175 164 A 15 CYS HBy A 17 THR H 1.0 1.8 4.55 176 165 A 15 CYS HBx A 17 THR H 1.0 1.8 3.27 177 166 A 15 CYS HBy A 19 ASN H 1.0 1.8 3.92 178 167 A 15 CYS HBx A 19 ASN H 1.0 1.8 4.06 179 168 A 27 ASN HBx A 19 ASN HD2y 1.0 1.8 4.40 180 169 A 27 ASN HBx A 19 ASN HD2x 1.0 1.8 4.06 181 170 A 18 LYS H A 17 THR HG2% 1.0 1.8 5.32 182 171 A 15 CYS HBy A 18 LYS HA 1.0 1.8 3.99 183 172 A 15 CYS H A 16 CYS H 1.0 1.8 5.37 184 173 A 18 LYS H A 16 CYS H 1.0 1.8 5.50 185 174 A 15 CYS H A 14 GLY H 1.0 1.8 3.52 186 175 A 3 ILE H A 16 CYS HA 1.0 1.8 5.50 187 176 A 16 CYS H A 17 THR H 1.0 1.8 3.63 188 177 A 19 ASN H A 17 THR H 1.0 1.8 5.04 189 178 A 15 CYS HA A 17 THR H 1.0 1.8 4.64 190 179 A 14 GLY H A 13 LYS HGx 1.0 1.8 4.23 191 179 A 14 GLY H A 13 LYS HGy 1.0 1.8 4.23 192 180 A 23 ASN HD2y A 23 ASN HBx 1.0 1.8 3.48 193 181 A 11 LEU H A 11 LEU HDy% 1.0 1.8 5.50 194 182 A 26 CYS HBy A 27 ASN H 1.0 1.8 5.19 195 183 A 5 THR H A 26 CYS HBy 1.0 1.8 5.46 196 184 A 19 ASN HD2x A 19 ASN HBy 1.0 1.8 4.09 197 185 A 20 CYS H A 19 ASN H 1.0 1.8 4.93 198 186 A 26 CYS HA A 20 CYS HA 1.0 1.8 4.43 199 187 A 21 GLY H A 20 CYS HA 1.0 1.8 2.88 200 188 A 27 ASN H A 20 CYS HA 1.0 1.8 4.04 201 189 A 12 SER H A 20 CYS H 1.0 1.8 5.18 202 190 A 20 CYS HBy A 26 CYS HA 1.0 1.8 5.50 203 191 A 12 SER H A 20 CYS HBy 1.0 1.8 4.39 204 192 A 12 SER H A 20 CYS HBx 1.0 1.8 4.59 205 193 A 20 CYS HBy A 21 GLY H 1.0 1.8 5.25 206 194 A 20 CYS HBx A 21 GLY H 1.0 1.8 5.26 207 195 A 20 CYS HBy A 13 LYS H 1.0 1.8 5.50 208 196 A 11 LEU H A 20 CYS HBy 1.0 1.8 5.50 209 197 A 15 CYS H A 20 CYS HBy 1.0 1.8 5.50 210 198 A 25 LYS H A 20 CYS HA 1.0 1.8 5.50 211 199 A 21 GLY HAy A 27 ASN HD2y 1.0 1.8 4.71 212 200 A 23 ASN H A 21 GLY HAy 1.0 1.8 5.23 213 201 A 21 GLY HAy A 27 ASN HD2x 1.0 1.8 4.71 214 202 A 25 LYS H A 21 GLY HAx 1.0 1.8 5.50 215 203 A 26 CYS HA A 21 GLY H 1.0 1.8 4.13 216 204 A 25 LYS H A 21 GLY H 1.0 1.8 3.93 217 205 A 21 GLY H A 27 ASN HD2x 1.0 1.8 4.40 218 206 A 21 GLY H A 27 ASN HD2y 1.0 1.8 4.40 219 207 A 27 ASN H A 21 GLY H 1.0 1.8 4.61 220 208 A 25 LYS HBx A 21 GLY H 1.0 1.8 5.50 221 209 A 27 ASN HBy A 21 GLY H 1.0 1.8 4.90 222 210 A 22 TRP H A 22 TRP HD1 1.0 1.8 3.92 223 211 A 23 ASN H A 22 TRP H 1.0 1.8 3.46 224 212 A 24 PHE H A 22 TRP HBx 1.0 1.8 5.50 225 213 A 24 PHE H A 23 ASN H 1.0 1.8 3.30 226 214 A 24 PHE H A 23 ASN HBx 1.0 1.8 5.50 227 215 A 23 ASN HD2y A 23 ASN HBy 1.0 1.8 3.48 228 216 A 24 PHE H A 23 ASN HBy 1.0 1.8 5.50 229 217 A 25 LYS H A 23 ASN H 1.0 1.8 4.59 230 218 A 25 LYS HBy A 24 PHE H 1.0 1.8 5.50 231 219 A 25 LYS H A 26 CYS H 1.0 1.8 5.33 232 220 A 25 LYS H A 23 ASN HD2x 1.0 1.8 4.74 233 221 A 5 THR H A 26 CYS HBx 1.0 1.8 5.50 234 222 A 26 CYS HBx A 17 THR H 1.0 1.8 4.89 235 223 A 27 ASN HBy A 27 ASN HD2x 1.0 1.8 4.03 236 224 A 27 ASN HBy A 27 ASN HD2y 1.0 1.8 4.03 237 225 A 30 ASN H A 29 HYP HBy 1.0 1.8 4.55 238 226 A 27 ASN H A 19 ASN H 1.0 1.8 5.50 239 227 A 29 HYP HA A 30 ASN H 1.0 1.8 3.05 240 228 A 19 ASN HD2x A 30 ASN H 1.0 1.8 5.00 241 229 A 19 ASN HD2y A 30 ASN H 1.0 1.8 4.98 242 230 A 28 HYP HA A 29 HYP HD1 1.0 1.8 3.16 243 231 A 3 ILE H A 2 CYS HA 1.0 1.8 2.91 244 232 A 3 ILE H A 15 CYS HA 1.0 1.8 3.94 245 233 A 3 ILE H A 3 ILE HG1x 1.0 1.8 3.01 246 234 A 3 ILE HA A 3 ILE HG1x 1.0 1.8 3.98 247 235 A 3 ILE HG1y A 3 ILE HA 1.0 1.8 3.79 248 236 A 3 ILE HG2% A 3 ILE HA 1.0 1.8 3.12 249 237 A 3 ILE HD1% A 3 ILE HA 1.0 1.8 4.01 250 238 A 3 ILE HB A 3 ILE HG1x 1.0 1.8 2.90 251 239 A 3 ILE HD1% A 3 ILE HB 1.0 1.8 3.76 252 240 A 3 ILE HG2% A 3 ILE HG1x 1.0 1.8 3.92 253 241 A 3 ILE HG1y A 3 ILE HG2% 1.0 1.8 2.62 254 242 A 3 ILE HD1% A 3 ILE HG2% 1.0 1.8 2.90 255 243 A 5 THR HB A 5 THR HA 1.0 1.8 2.88 256 244 A 5 THR HG2% A 5 THR HA 1.0 1.8 3.04 257 245 A 7 SER H A 5 THR HB 1.0 1.8 5.18 258 246 A 8 PHE HA A 8 PHE HD% 1.0 1.8 3.50 259 247 A 10 THR HG2% A 8 PHE HD% 1.0 1.8 4.44 260 248 A 10 THR HG2% A 8 PHE HE% 1.0 1.8 3.69 261 249 A 10 THR HG2% A 8 PHE HZ 1.0 1.8 3.58 262 250 A 24 PHE HBy A 8 PHE HZ 1.0 1.8 5.50 263 251 A 8 PHE HA A 8 PHE HE% 1.0 1.8 4.88 264 252 A 8 PHE HD% A 8 PHE HZ 1.0 1.8 4.03 265 253 A 8 PHE HE% A 8 PHE HZ 1.0 1.8 2.40 266 254 A 11 LEU H A 9 CYS HA 1.0 1.8 4.62 267 255 A 10 THR HG2% A 10 THR HA 1.0 1.8 3.26 268 256 A 11 LEU HA A 11 LEU HDx% 1.0 1.8 4.95 269 257 A 11 LEU HA A 11 LEU HDy% 1.0 1.8 4.95 270 258 A 12 SER HA A 12 SER HBx 1.0 1.8 3.01 271 258 A 12 SER HBy A 12 SER HA 1.0 1.8 3.01 272 259 A 13 LYS HA A 13 LYS HEx 1.0 1.8 5.50 273 259 A 13 LYS HA A 13 LYS HEy 1.0 1.8 5.50 274 260 A 13 LYS HA A 13 LYS HDx 1.0 1.8 4.12 275 260 A 13 LYS HDy A 13 LYS HA 1.0 1.8 4.12 276 261 A 13 LYS HEy A 13 LYS HBy 1.0 1.8 5.50 277 261 A 13 LYS HBy A 13 LYS HEx 1.0 1.8 5.50 278 262 A 13 LYS HEy A 13 LYS HBx 1.0 1.8 5.50 279 262 A 13 LYS HBx A 13 LYS HEx 1.0 1.8 5.50 280 263 A 14 GLY H A 13 LYS HBy 1.0 1.8 4.77 281 264 A 14 GLY H A 13 LYS HBx 1.0 1.8 4.77 282 265 A 16 CYS H A 3 ILE HG2% 1.0 1.8 5.20 283 266 A 17 THR HG2% A 17 THR HA 1.0 1.8 3.31 284 267 A 17 THR H A 18 LYS HA 1.0 1.8 5.41 285 268 A 18 LYS HA A 18 LYS HEx 1.0 1.8 4.95 286 268 A 18 LYS HEy A 18 LYS HA 1.0 1.8 4.95 287 269 A 18 LYS HA A 18 LYS HDy 1.0 1.8 4.60 288 270 A 18 LYS HA A 18 LYS HGy 1.0 1.8 4.21 289 271 A 18 LYS HA A 18 LYS HGx 1.0 1.8 4.21 290 272 A 18 LYS H A 18 LYS HGx 1.0 1.8 4.52 291 273 A 15 CYS H A 3 ILE HB 1.0 1.8 5.50 292 274 A 18 LYS H A 19 ASN H 1.0 1.8 3.54 293 275 A 19 ASN HD2y A 19 ASN HA 1.0 1.8 5.33 294 276 A 19 ASN HD2y A 28 HYP HA 1.0 1.8 5.50 295 277 A 27 ASN HBy A 19 ASN HD2y 1.0 1.8 3.85 296 278 A 27 ASN HBy A 19 ASN HD2x 1.0 1.8 3.98 297 279 A 20 CYS H A 19 ASN HA 1.0 1.8 2.98 298 280 A 22 TRP HBx A 22 TRP HE3 1.0 1.8 3.45 299 281 A 22 TRP HD1 A 22 TRP HA 1.0 1.8 5.12 300 282 A 21 GLY HAy A 22 TRP HD1 1.0 1.8 5.24 301 283 A 24 PHE H A 22 TRP HA 1.0 1.8 4.65 302 284 A 25 LYS HBx A 23 ASN HD2x 1.0 1.8 3.71 303 285 A 24 PHE HA A 24 PHE HBx 1.0 1.8 2.76 304 286 A 24 PHE HA A 24 PHE HE% 1.0 1.8 5.33 305 287 A 24 PHE HD% A 24 PHE HZ 1.0 1.8 3.84 306 288 A 10 THR HG2% A 24 PHE HD% 1.0 1.8 4.27 307 289 A 10 THR HG2% A 24 PHE HE% 1.0 1.8 5.10 308 290 A 19 ASN H A 17 THR HG2% 1.0 1.8 5.28 309 291 A 25 LYS HBy A 23 ASN HD2y 1.0 1.8 5.50 310 292 A 25 LYS HA A 25 LYS HDx 1.0 1.8 5.50 311 293 A 25 LYS HA A 25 LYS HDy 1.0 1.8 5.50 312 294 A 25 LYS HGy A 25 LYS HA 1.0 1.8 3.61 313 295 A 25 LYS HBx A 25 LYS HEx 1.0 1.8 5.50 314 296 A 25 LYS HBy A 25 LYS HDx 1.0 1.8 3.90 315 297 A 25 LYS HBy A 25 LYS HDy 1.0 1.8 3.90 316 298 A 25 LYS HBy A 25 LYS HZ% 1.0 1.8 5.50 317 299 A 25 LYS HGy A 25 LYS HZ% 1.0 1.8 5.50 318 300 A 25 LYS HBx A 26 CYS H 1.0 1.8 4.19 319 301 A 3 ILE HG2% A 26 CYS H 1.0 1.8 5.50 320 302 A 8 PHE H A 3 ILE HG2% 1.0 1.8 4.65 321 303 A 27 ASN H A 19 ASN HD2y 1.0 1.8 5.19 322 304 A 27 ASN H A 19 ASN HD2x 1.0 1.8 5.50 323 305 A 18 LYS H A 18 LYS HDx 1.0 1.8 5.23 324 306 A 18 LYS HA A 18 LYS HDx 1.0 1.8 4.60 325 307 A 25 LYS H A 25 LYS HGx 1.0 1.8 4.27 326 308 A 25 LYS HBx A 25 LYS HEy 1.0 1.8 5.50 327 309 A 16 CYS H A 26 CYS HBx 1.0 1.8 5.50 328 310 A 12 SER HA A 19 ASN HA 1.0 1.8 4.86 329 311 A 3 ILE HB A 15 CYS HA 1.0 1.8 2.91 330 312 A 26 CYS HA A 27 ASN HBy 1.0 1.8 5.50 331 313 A 27 ASN HBy A 19 ASN HA 1.0 1.8 5.50 332 314 A 20 CYS HBx A 26 CYS HA 1.0 1.8 5.50 333 315 A 2 CYS H A 2 CYS HBx 1.0 1.8 3.50 334 315 A 2 CYS H A 2 CYS HBy 1.0 1.8 3.50 335 316 A 3 ILE H A 2 CYS HBx 1.0 1.8 3.13 336 316 A 3 ILE H A 2 CYS HBy 1.0 1.8 3.13 337 317 A 15 CYS H A 2 CYS HBx 1.0 1.8 5.34 338 317 A 15 CYS H A 2 CYS HBy 1.0 1.8 5.34 339 318 A 16 CYS H A 2 CYS HBx 1.0 1.8 3.55 340 318 A 16 CYS H A 2 CYS HBy 1.0 1.8 3.55 341 319 A 16 CYS HA A 2 CYS HBx 1.0 1.8 3.15 342 319 A 16 CYS HA A 2 CYS HBy 1.0 1.8 3.15 343 320 A 3 ILE H A 14 GLY HAy 1.0 1.8 5.34 344 320 A 3 ILE H A 14 GLY HAx 1.0 1.8 5.34 345 321 A 3 ILE HG2% A 7 SER HBy 1.0 1.8 3.14 346 321 A 3 ILE HG2% A 7 SER HBx 1.0 1.8 3.14 347 322 A 3 ILE HD1% A 9 CYS HBx 1.0 1.8 5.14 348 322 A 3 ILE HD1% A 9 CYS HBy 1.0 1.8 5.14 349 323 A 4 ALA H A 7 SER HBy 1.0 1.8 4.30 350 323 A 4 ALA H A 7 SER HBx 1.0 1.8 4.30 351 324 A 6 GLY H A 7 SER HBy 1.0 1.8 5.34 352 324 A 6 GLY H A 7 SER HBx 1.0 1.8 5.34 353 325 A 7 SER H A 7 SER HBy 1.0 1.8 2.99 354 325 A 7 SER H A 7 SER HBx 1.0 1.8 2.99 355 326 A 8 PHE H A 7 SER HBy 1.0 1.8 3.03 356 326 A 8 PHE H A 7 SER HBx 1.0 1.8 3.03 357 327 A 7 SER HBx A 8 PHE HBx 1.0 1.8 5.05 358 327 A 8 PHE HBy A 7 SER HBy 1.0 1.8 5.05 359 327 A 7 SER HBx A 8 PHE HBy 1.0 1.8 5.05 360 327 A 7 SER HBy A 8 PHE HBx 1.0 1.8 5.05 361 328 A 10 THR H A 9 CYS HBx 1.0 1.8 3.25 362 328 A 10 THR H A 9 CYS HBy 1.0 1.8 3.25 363 329 A 11 LEU H A 9 CYS HBx 1.0 1.8 3.62 364 329 A 11 LEU H A 9 CYS HBy 1.0 1.8 3.62 365 330 A 10 THR H A 11 LEU HBx 1.0 1.8 4.49 366 330 A 10 THR H A 11 LEU HBy 1.0 1.8 4.49 367 331 A 11 LEU H A 11 LEU HBx 1.0 1.8 3.49 368 331 A 11 LEU H A 11 LEU HBy 1.0 1.8 3.49 369 332 A 11 LEU H A 11 LEU HDy% 1.0 1.8 4.72 370 332 A 11 LEU H A 11 LEU HDx% 1.0 1.8 4.72 371 333 A 11 LEU HA A 11 LEU HDy% 1.0 1.8 3.89 372 333 A 11 LEU HA A 11 LEU HDx% 1.0 1.8 3.89 373 334 A 12 SER H A 11 LEU HBx 1.0 1.8 4.01 374 334 A 12 SER H A 11 LEU HBy 1.0 1.8 4.01 375 335 A 12 SER H A 11 LEU HDy% 1.0 1.8 4.74 376 335 A 12 SER H A 11 LEU HDx% 1.0 1.8 4.74 377 336 A 13 LYS H A 11 LEU HDy% 1.0 1.8 4.78 378 336 A 13 LYS H A 11 LEU HDx% 1.0 1.8 4.78 379 337 A 14 GLY H A 11 LEU HDy% 1.0 1.8 5.44 380 337 A 14 GLY H A 11 LEU HDx% 1.0 1.8 5.44 381 338 A 13 LYS H A 13 LYS HBy 1.0 1.8 3.08 382 338 A 13 LYS H A 13 LYS HBx 1.0 1.8 3.08 383 339 A 13 LYS HBx A 13 LYS HEx 1.0 1.8 4.83 384 339 A 13 LYS HBy A 13 LYS HEx 1.0 1.8 4.83 385 339 A 13 LYS HEy A 13 LYS HBy 1.0 1.8 4.83 386 339 A 13 LYS HEy A 13 LYS HBx 1.0 1.8 4.83 387 340 A 14 GLY H A 13 LYS HBy 1.0 1.8 4.20 388 340 A 14 GLY H A 13 LYS HBx 1.0 1.8 4.20 389 341 A 16 CYS H A 16 CYS HBx 1.0 1.8 3.27 390 341 A 16 CYS H A 16 CYS HBy 1.0 1.8 3.27 391 342 A 17 THR H A 16 CYS HBx 1.0 1.8 3.64 392 342 A 17 THR H A 16 CYS HBy 1.0 1.8 3.64 393 343 A 17 THR H A 18 LYS HGx 1.0 1.8 5.34 394 343 A 17 THR H A 18 LYS HGy 1.0 1.8 5.34 395 344 A 18 LYS H A 18 LYS HGx 1.0 1.8 3.68 396 344 A 18 LYS H A 18 LYS HGy 1.0 1.8 3.68 397 345 A 18 LYS H A 18 LYS HDy 1.0 1.8 4.43 398 345 A 18 LYS H A 18 LYS HDx 1.0 1.8 4.43 399 346 A 18 LYS HBy A 18 LYS HEx 1.0 1.8 4.33 400 346 A 18 LYS HEy A 18 LYS HBy 1.0 1.8 4.33 401 346 A 18 LYS HEy A 18 LYS HBx 1.0 1.8 4.33 402 346 A 18 LYS HBx A 18 LYS HEx 1.0 1.8 4.33 403 347 A 19 ASN H A 19 ASN HBx 1.0 1.8 3.07 404 347 A 19 ASN H A 19 ASN HBy 1.0 1.8 3.07 405 348 A 19 ASN HD2y A 19 ASN HBx 1.0 1.8 3.00 406 348 A 19 ASN HD2y A 19 ASN HBy 1.0 1.8 3.00 407 349 A 19 ASN HD2x A 19 ASN HBx 1.0 1.8 3.53 408 349 A 19 ASN HD2x A 19 ASN HBy 1.0 1.8 3.53 409 350 A 27 ASN H A 19 ASN HBx 1.0 1.8 4.68 410 350 A 27 ASN H A 19 ASN HBy 1.0 1.8 4.68 411 351 A 29 HYP HA A 19 ASN HBx 1.0 1.8 4.18 412 351 A 29 HYP HA A 19 ASN HBy 1.0 1.8 4.18 413 352 A 30 ASN H A 19 ASN HBx 1.0 1.8 5.18 414 352 A 30 ASN H A 19 ASN HBy 1.0 1.8 5.18 415 353 A 21 GLY HAy A 27 ASN HD2y 1.0 1.8 4.12 416 353 A 21 GLY HAy A 27 ASN HD2x 1.0 1.8 4.12 417 354 A 21 GLY HAx A 27 ASN HD2y 1.0 1.8 3.64 418 354 A 21 GLY HAx A 27 ASN HD2x 1.0 1.8 3.64 419 355 A 22 TRP H A 27 ASN HD2y 1.0 1.8 5.34 420 355 A 22 TRP H A 27 ASN HD2x 1.0 1.8 5.34 421 356 A 23 ASN H A 23 ASN HBx 1.0 1.8 3.44 422 356 A 23 ASN H A 23 ASN HBy 1.0 1.8 3.44 423 357 A 23 ASN HD2y A 23 ASN HBx 1.0 1.8 3.02 424 357 A 23 ASN HD2y A 23 ASN HBy 1.0 1.8 3.02 425 358 A 23 ASN HD2x A 23 ASN HBx 1.0 1.8 3.60 426 358 A 23 ASN HD2x A 23 ASN HBy 1.0 1.8 3.60 427 359 A 25 LYS H A 23 ASN HBx 1.0 1.8 5.34 428 359 A 25 LYS H A 23 ASN HBy 1.0 1.8 5.34 429 360 A 23 ASN HD2y A 25 LYS HDy 1.0 1.8 4.07 430 360 A 23 ASN HD2y A 25 LYS HDx 1.0 1.8 4.07 431 361 A 23 ASN HD2x A 25 LYS HDy 1.0 1.8 4.41 432 361 A 23 ASN HD2x A 25 LYS HDx 1.0 1.8 4.41 433 362 A 23 ASN HD2x A 25 LYS HEy 1.0 1.8 5.34 434 362 A 23 ASN HD2x A 25 LYS HEx 1.0 1.8 5.34 435 363 A 25 LYS H A 25 LYS HDy 1.0 1.8 4.30 436 363 A 25 LYS H A 25 LYS HDx 1.0 1.8 4.30 437 364 A 25 LYS H A 25 LYS HEy 1.0 1.8 5.34 438 364 A 25 LYS H A 25 LYS HEx 1.0 1.8 5.34 439 365 A 25 LYS HA A 25 LYS HEy 1.0 1.8 5.34 440 365 A 25 LYS HA A 25 LYS HEx 1.0 1.8 5.34 441 366 A 25 LYS HBy A 25 LYS HEy 1.0 1.8 4.62 442 366 A 25 LYS HBy A 25 LYS HEx 1.0 1.8 4.62 443 367 A 25 LYS HBx A 25 LYS HDy 1.0 1.8 3.43 444 367 A 25 LYS HBx A 25 LYS HDx 1.0 1.8 3.43 445 368 A 27 ASN H A 27 ASN HD2y 1.0 1.8 5.34 446 368 A 27 ASN H A 27 ASN HD2x 1.0 1.8 5.34 447 369 A 27 ASN HA A 28 HYP HG 1.0 1.8 4.88 448 370 A 27 ASN HBy A 27 ASN HD2x 1.0 1.8 3.32 449 370 A 27 ASN HBy A 27 ASN HD2y 1.0 1.8 3.32 450 371 A 30 ASN H A 30 ASN HBy 1.0 1.8 3.52 451 371 A 30 ASN H A 30 ASN HBx 1.0 1.8 3.52 452 372 A 31 GLN H A 31 GLN HBy 1.0 1.8 3.56 453 372 A 31 GLN H A 31 GLN HBx 1.0 1.8 3.56 454 373 A 31 GLN H A 31 GLN HE2x 1.0 1.8 4.34 455 373 A 31 GLN H A 31 GLN HE2y 1.0 1.8 4.34 456 374 A 31 GLN HBy A 31 GLN HGx 1.0 1.8 2.43 457 374 A 31 GLN HGy A 31 GLN HBy 1.0 1.8 2.43 458 374 A 31 GLN HGy A 31 GLN HBx 1.0 1.8 2.43 459 374 A 31 GLN HBx A 31 GLN HGx 1.0 1.8 2.43 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 3 ILE H A 14 GLY O 1.0 0.0 2.3 2 2 A 14 GLY O A 3 ILE N 1.0 0.0 3.3 3 3 A 7 SER H A 4 ALA O 1.0 0.0 2.3 4 4 A 4 ALA O A 7 SER N 1.0 0.0 3.3 5 5 A 9 CYS H A 24 PHE O 1.0 0.0 2.3 6 6 A 24 PHE O A 9 CYS N 1.0 0.0 3.3 7 7 A 14 GLY H A 11 LEU O 1.0 0.0 2.3 8 8 A 11 LEU O A 14 GLY N 1.0 0.0 3.3 9 9 A 15 CYS H A 12 SER O 1.0 0.0 2.3 10 10 A 12 SER O A 15 CYS N 1.0 0.0 3.3 11 11 A 16 CYS H A 3 ILE O 1.0 0.0 2.3 12 12 A 3 ILE O A 16 CYS N 1.0 0.0 3.3 13 13 A 18 LYS H A 15 CYS O 1.0 0.0 2.3 14 14 A 15 CYS O A 18 LYS N 1.0 0.0 3.3 15 15 A 21 GLY H A 25 LYS O 1.0 0.0 2.3 16 16 A 25 LYS O A 21 GLY N 1.0 0.0 3.3 17 17 A 24 PHE H A 21 GLY O 1.0 0.0 2.3 18 18 A 21 GLY O A 24 PHE N 1.0 0.0 3.3 19 19 A 25 LYS H A 23 ASN OD1 1.0 0.0 2.3 20 20 A 23 ASN OD1 A 25 LYS N 1.0 0.0 3.3 21 21 A 26 CYS H A 7 SER O 1.0 0.0 2.3 22 22 A 7 SER O A 26 CYS N 1.0 0.0 3.3 23 23 A 27 ASN H A 19 ASN O 1.0 0.0 2.3 24 24 A 19 ASN O A 27 ASN N 1.0 0.0 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 1 GLY C A 2 CYS N A 2 CYS CA A 2 CYS C 1.0 -132.1 -45.5 PHI 2 2 A 2 CYS N A 2 CYS CA A 2 CYS C A 3 ILE N 1.0 128.4 177.6 PSI 3 3 A 2 CYS C A 3 ILE N A 3 ILE CA A 3 ILE C 1.0 -98.7 -52.5 PHI 4 4 A 3 ILE N A 3 ILE CA A 3 ILE C A 4 ALA N 1.0 109.5 149.5 PSI 5 5 A 3 ILE C A 4 ALA N A 4 ALA CA A 4 ALA C 1.0 -104.8 -47.6 PHI 6 6 A 4 ALA N A 4 ALA CA A 4 ALA C A 5 THR N 1.0 116.7 166.5 PSI 7 7 A 4 ALA C A 5 THR N A 5 THR CA A 5 THR C 1.0 -77.7 -37.7 PHI 8 8 A 5 THR N A 5 THR CA A 5 THR C A 6 GLY N 1.0 114.1 154.1 PSI 9 9 A 5 THR C A 6 GLY N A 6 GLY CA A 6 GLY C 1.0 75.2 115.2 PHI 10 10 A 6 GLY N A 6 GLY CA A 6 GLY C A 7 SER N 1.0 -32.9 7.1 PSI 11 11 A 6 GLY C A 7 SER N A 7 SER CA A 7 SER C 1.0 -91.5 -51.5 PHI 12 12 A 7 SER N A 7 SER CA A 7 SER C A 8 PHE N 1.0 122.8 162.8 PSI 13 13 A 7 SER C A 8 PHE N A 8 PHE CA A 8 PHE C 1.0 -115.5 -64.5 PHI 14 14 A 8 PHE N A 8 PHE CA A 8 PHE C A 9 CYS N 1.0 112.5 152.5 PSI 15 15 A 8 PHE C A 9 CYS N A 9 CYS CA A 9 CYS C 1.0 -158.8 -118.8 PHI 16 16 A 9 CYS N A 9 CYS CA A 9 CYS C A 10 THR N 1.0 140.5 180.5 PSI 17 17 A 9 CYS C A 10 THR N A 10 THR CA A 10 THR C 1.0 -160.8 -51.8 PHI 18 18 A 10 THR N A 10 THR CA A 10 THR C A 11 LEU N 1.0 -41.7 42.9 PSI 19 19 A 10 THR C A 11 LEU N A 11 LEU CA A 11 LEU C 1.0 -141.2 -85.4 PHI 20 20 A 11 LEU N A 11 LEU CA A 11 LEU C A 12 SER N 1.0 108.1 168.5 PSI 21 21 A 11 LEU C A 12 SER N A 12 SER CA A 12 SER C 1.0 -78.6 -38.6 PHI 22 22 A 12 SER N A 12 SER CA A 12 SER C A 13 LYS N 1.0 -55.9 -15.9 PSI 23 23 A 12 SER C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -88.0 -48.0 PHI 24 24 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 GLY N 1.0 -41.5 -1.5 PSI 25 25 A 14 GLY C A 15 CYS N A 15 CYS CA A 15 CYS C 1.0 -94.6 -54.0 PHI 26 26 A 15 CYS N A 15 CYS CA A 15 CYS C A 16 CYS N 1.0 104.4 152.0 PSI 27 27 A 17 THR C A 18 LYS N A 18 LYS CA A 18 LYS C 1.0 39.2 79.2 PHI 28 28 A 18 LYS N A 18 LYS CA A 18 LYS C A 19 ASN N 1.0 11.5 63.3 PSI 29 29 A 21 GLY C A 22 TRP N A 22 TRP CA A 22 TRP C 1.0 -180.0 -20.0 PHI 30 30 A 22 TRP C A 23 ASN N A 23 ASN CA A 23 ASN C 1.0 -215.6 -33.2 PHI 31 31 A 23 ASN C A 24 PHE N A 24 PHE CA A 24 PHE C 1.0 43.1 83.1 PHI 32 32 A 24 PHE N A 24 PHE CA A 24 PHE C A 25 LYS N 1.0 5.8 55.0 PSI 33 33 A 24 PHE C A 25 LYS N A 25 LYS CA A 25 LYS C 1.0 -159.1 -98.3 PHI 34 34 A 25 LYS N A 25 LYS CA A 25 LYS C A 26 CYS N 1.0 128.8 168.8 PSI 35 35 A 25 LYS C A 26 CYS N A 26 CYS CA A 26 CYS C 1.0 -114.8 -58.8 PHI 36 36 A 26 CYS N A 26 CYS CA A 26 CYS C A 27 ASN N 1.0 104.3 146.7 PSI 37 37 A 26 CYS C A 27 ASN N A 27 ASN CA A 27 ASN C 1.0 -159.3 -52.1 PHI 38 38 A 27 ASN N A 27 ASN CA A 27 ASN C A 28 HYP N 1.0 87.7 191.9 PSI 39 39 A 2 CYS N A 2 CYS CA A 2 CYS CB A 2 CYS SG 1.0 30.0 90.0 CHI1 40 40 A 3 ILE N A 3 ILE CA A 3 ILE CB A 3 ILE CG1 1.0 -90.0 -30.0 CHI1 41 41 A 7 SER N A 7 SER CA A 7 SER CB A 7 SER OG 1.0 -90.0 -30.0 CHI1 42 42 A 9 CYS N A 9 CYS CA A 9 CYS CB A 9 CYS SG 1.0 30.0 90.0 CHI1 43 43 A 10 THR N A 10 THR CA A 10 THR CB A 10 THR OG1 1.0 30.0 90.0 CHI1 44 44 A 11 LEU N A 11 LEU CA A 11 LEU CB A 11 LEU CG 1.0 -90.0 -30.0 CHI1 45 45 A 12 SER N A 12 SER CA A 12 SER CB A 12 SER OG 1.0 30.0 90.0 CHI1 46 46 A 15 CYS N A 15 CYS CA A 15 CYS CB A 15 CYS SG 1.0 -90.0 -30.0 CHI1 47 47 A 16 CYS N A 16 CYS CA A 16 CYS CB A 16 CYS SG 1.0 -90.0 -30.0 CHI1 48 48 A 17 THR N A 17 THR CA A 17 THR CB A 17 THR OG1 1.0 30.0 90.0 CHI1 49 49 A 20 CYS N A 20 CYS CA A 20 CYS CB A 20 CYS SG 1.0 150.0 210.0 CHI1 50 50 A 22 TRP N A 22 TRP CA A 22 TRP CB A 22 TRP CG 1.0 30.0 90.0 CHI1 51 51 A 23 ASN N A 23 ASN CA A 23 ASN CB A 23 ASN CG 1.0 30.0 90.0 CHI1 52 52 A 25 LYS N A 25 LYS CA A 25 LYS CB A 25 LYS CG 1.0 -90.0 -30.0 CHI1 53 53 A 26 CYS N A 26 CYS CA A 26 CYS CB A 26 CYS SG 1.0 -90.0 -30.0 CHI1 54 54 A 27 ASN N A 27 ASN CA A 27 ASN CB A 27 ASN CG 1.0 -90.0 -30.0 CHI1 55 55 A 31 GLN N A 31 GLN CA A 31 GLN CB A 31 GLN CG 1.0 -90.0 -30.0 CHI1 stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 2 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 12 . . . . 2 ppm . . 12 . . . . stop_ save_