data_nef_c30755_6x4x 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 6X4X 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 6 CYS SG 1 11 CYS SG 1 7 CYS SG 2 7 CYS SG 1 20 CYS SG 2 19 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 ILE middle . . 3 A 3 VAL middle . . 4 A 4 GLU middle . . 5 A 5 GLN middle . . 6 A 6 CYS middle -HG . 7 A 7 CYS middle -HG . 8 A 8 THR middle . . 9 A 9 SER middle . . 10 A 10 ILE middle . . 11 A 11 CYS middle -HG . 12 A 12 SER middle . . 13 A 13 LEU middle . . 14 A 14 TYR middle . . 15 A 15 GLN middle . . 16 A 16 LEU middle . . 17 A 17 GLU middle . . 18 A 18 ASN middle . . 19 A 19 TYR middle . . 20 A 20 CYS middle -HG . 21 A 21 ASN end . . 22 B 22 PHE start . . 23 B 23 VAL middle . . 24 B 24 ASN middle . . 25 B 25 GLN middle . . 26 B 26 HIS middle . . 27 B 27 LEU middle . . 28 B 28 CYS middle -HG . 29 B 29 GLY middle . false 30 B 30 SER middle . . 31 B 31 ASP middle . . 32 B 32 LEU middle . . 33 B 33 VAL middle . . 34 B 34 GLU middle . . 35 B 35 ALA middle . . 36 B 36 LEU middle . . 37 B 37 TYR middle . . 38 B 38 LEU middle . . 39 B 39 VAL middle . . 40 B 40 CYS middle -HG . 41 B 41 GLY middle . false 42 B 42 GLU middle . . 43 B 43 ARG middle . . 44 B 44 GLY middle . false 45 B 45 TYR middle . . 46 B 46 PHE middle . . 47 B 47 TYR middle . . 48 B 48 THR middle . . 49 B 49 LYS middle . . 50 B 50 PRO middle . false 51 B 51 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 GLY HAx H 1 3.99 . A 1 GLY HAy H 1 3.99 . A 1 GLY CA C 13 43.63 . A 2 ILE HA H 1 3.75 . A 2 ILE HB H 1 2.17 . A 2 ILE HD1% H 1 0.420 . A 2 ILE HG1x H 1 0.78 . A 2 ILE HG1y H 1 1.01 . A 2 ILE HG2% H 1 0.560 . A 2 ILE CA C 13 63.38 . A 2 ILE CB C 13 37.49 . A 2 ILE CD1 C 13 14.42 . A 2 ILE CG1 C 13 28.25 . A 2 ILE CG2 C 13 17.010 . A 3 VAL H H 1 8.14 . A 3 VAL HA H 1 3.52 . A 3 VAL HB H 1 1.88 . A 3 VAL HGx% H 1 0.77 . A 3 VAL HGy% H 1 0.86 . A 3 VAL CA C 13 65.73 . A 3 VAL CB C 13 31.36 . A 3 VAL CGx C 13 21.17 . A 3 VAL CGy C 13 22.63 . A 3 VAL N N 15 123.09 . A 4 GLU H H 1 8.29 . A 4 GLU HA H 1 4.070 . A 4 GLU HBx H 1 2.09 . A 4 GLU HBy H 1 2.09 . A 4 GLU HGy H 1 2.42 . A 4 GLU HGx H 1 2.16 . A 4 GLU CA C 13 59.77 . A 4 GLU CB C 13 28.800 . A 4 GLU CG C 13 37.08 . A 4 GLU N N 15 121.29 . A 5 GLN HA H 1 3.990 . A 5 GLN HBx H 1 2.02 . A 5 GLN HBy H 1 2.12 . A 5 GLN HE2y H 1 7.48 . A 5 GLN HE2x H 1 6.87 . A 5 GLN HGy H 1 2.43 . A 5 GLN HGx H 1 2.31 . A 5 GLN CA C 13 58.890 . A 5 GLN CB C 13 29.45 . A 5 GLN CG C 13 34.01 . A 5 GLN NE2 N 15 111.72 . A 6 CYS H H 1 8.29 . A 6 CYS HA H 1 4.97 . A 6 CYS HBy H 1 3.99 . A 6 CYS HBx H 1 2.83 . A 6 CYS CA C 13 54.63 . A 6 CYS N N 15 111.94 . A 7 CYS H H 1 8.16 . A 7 CYS HA H 1 4.83 . A 7 CYS HBx H 1 3.25 . A 7 CYS HBy H 1 3.72 . A 7 CYS CA C 13 56.89 . A 7 CYS CB C 13 38.90 . A 7 CYS N N 15 118.23 . A 8 THR H H 1 8.14 . A 8 THR HA H 1 4.00 . A 8 THR HB H 1 4.36 . A 8 THR HG2% H 1 1.19 . A 8 THR CA C 13 64.33 . A 8 THR CB C 13 68.76 . A 8 THR CG2 C 13 22.24 . A 8 THR N N 15 112.11 . A 9 SER HA H 1 4.69 . A 9 SER HBy H 1 3.93 . A 9 SER HBx H 1 3.79 . A 9 SER CA C 13 56.48 . A 9 SER CB C 13 64.70 . A 10 ILE H H 1 7.80 . A 10 ILE HA H 1 4.21 . A 10 ILE HB H 1 1.49 . A 10 ILE HD1% H 1 0.42 . A 10 ILE HG1x H 1 0.32 . A 10 ILE HG1y H 1 1.01 . A 10 ILE HG2% H 1 0.59 . A 10 ILE CA C 13 60.28 . A 10 ILE CB C 13 38.65 . A 10 ILE CD1 C 13 12.35 . A 10 ILE CG1 C 13 27.18 . A 10 ILE CG2 C 13 17.23 . A 10 ILE N N 15 117.59 . A 11 CYS H H 1 9.80 . A 11 CYS HBy H 1 3.29 . A 11 CYS HBx H 1 3.17 . A 12 SER H H 1 8.54 . A 12 SER HA H 1 4.56 . A 12 SER HBy H 1 4.13 . A 12 SER HBx H 1 3.95 . A 12 SER CA C 13 56.63 . A 12 SER CB C 13 65.74 . A 12 SER N N 15 116.69 . A 13 LEU H H 1 8.66 . A 13 LEU HA H 1 3.82 . A 13 LEU HBx H 1 1.37 . A 13 LEU HBy H 1 1.41 . A 13 LEU HDx% H 1 0.79 . A 13 LEU HDy% H 1 0.73 . A 13 LEU HG H 1 1.48 . A 13 LEU CA C 13 58.54 . A 13 LEU CB C 13 41.22 . A 13 LEU CDy C 13 24.51 . A 13 LEU CDx C 13 24.42 . A 13 LEU CG C 13 27.00 . A 13 LEU N N 15 122.22 . A 14 TYR H H 1 7.61 . A 14 TYR HA H 1 4.26 . A 14 TYR HBx H 1 2.95 . A 14 TYR HBy H 1 2.95 . A 14 TYR HDx H 1 7.05 . A 14 TYR HDy H 1 7.05 . A 14 TYR HEx H 1 6.77 . A 14 TYR HEy H 1 6.77 . A 14 TYR CA C 13 60.00 . A 14 TYR CB C 13 37.68 . A 14 TYR CDx C 13 133.13 . A 14 TYR CDy C 13 133.13 . A 14 TYR CEx C 13 118.37 . A 14 TYR CEy C 13 118.37 . A 14 TYR N N 15 115.76 . A 15 GLN H H 1 7.45 . A 15 GLN HA H 1 3.92 . A 15 GLN HBy H 1 2.30 . A 15 GLN HBx H 1 1.97 . A 15 GLN HE2y H 1 7.49 . A 15 GLN HE2x H 1 6.96 . A 15 GLN HGx H 1 2.18 . A 15 GLN HGy H 1 2.35 . A 15 GLN CA C 13 58.42 . A 15 GLN CB C 13 29.22 . A 15 GLN CG C 13 35.30 . A 15 GLN N N 15 118.22 . A 15 GLN NE2 N 15 111.95 . A 16 LEU H H 1 7.83 . A 16 LEU HA H 1 4.04 . A 16 LEU HBy H 1 1.92 . A 16 LEU HBx H 1 1.38 . A 16 LEU HDx% H 1 0.69 . A 16 LEU HDy% H 1 0.72 . A 16 LEU HG H 1 1.70 . A 16 LEU CA C 13 58.34 . A 16 LEU CB C 13 41.97 . A 16 LEU CDx C 13 24.51 . A 16 LEU CDy C 13 26.15 . A 16 LEU CG C 13 27.03 . A 16 LEU N N 15 119.71 . A 17 GLU H H 1 8.03 . A 17 GLU HA H 1 4.15 . A 17 GLU HBx H 1 1.92 . A 17 GLU HBy H 1 1.98 . A 17 GLU HGy H 1 2.32 . A 17 GLU HGx H 1 2.18 . A 17 GLU CA C 13 58.21 . A 17 GLU CB C 13 29.40 . A 17 GLU CG C 13 37.09 . A 17 GLU N N 15 115.88 . A 18 ASN H H 1 7.26 . A 18 ASN HA H 1 4.41 . A 18 ASN HBx H 1 2.48 . A 18 ASN HBy H 1 2.58 . A 18 ASN HD2y H 1 7.13 . A 18 ASN HD2x H 1 6.55 . A 18 ASN CA C 13 54.83 . A 18 ASN CB C 13 38.70 . A 18 ASN N N 15 116.11 . A 18 ASN ND2 N 15 112.11 . A 19 TYR H H 1 7.94 . A 19 TYR HA H 1 4.24 . A 19 TYR HBy H 1 3.39 . A 19 TYR HBx H 1 2.78 . A 19 TYR HDx H 1 7.26 . A 19 TYR HDy H 1 7.26 . A 19 TYR HEx H 1 6.70 . A 19 TYR HEy H 1 6.70 . A 19 TYR CA C 13 59.05 . A 19 TYR CB C 13 37.74 . A 19 TYR CDx C 13 133.85 . A 19 TYR CDy C 13 133.85 . A 19 TYR CEx C 13 117.71 . A 19 TYR CEy C 13 117.71 . A 19 TYR N N 15 117.40 . A 20 CYS H H 1 7.26 . A 20 CYS HA H 1 5.07 . A 20 CYS HBy H 1 3.24 . A 20 CYS HBx H 1 2.75 . A 20 CYS CA C 13 52.88 . A 20 CYS CB C 13 35.45 . A 20 CYS N N 15 115.75 . A 21 ASN H H 1 7.96 . A 21 ASN HA H 1 4.42 . A 21 ASN HBy H 1 2.71 . A 21 ASN HBx H 1 2.57 . A 21 ASN HD2x H 1 6.47 . A 21 ASN HD2y H 1 7.46 . A 21 ASN CA C 13 55.51 . A 21 ASN CB C 13 39.10 . A 21 ASN N N 15 125.26 . A 21 ASN ND2 N 15 112.52 . B 22 PHE HA H 1 3.96 . B 22 PHE HBy H 1 3.02 . B 22 PHE HBx H 1 2.99 . B 22 PHE HDx H 1 7.14 . B 22 PHE HDy H 1 7.14 . B 22 PHE HEx H 1 7.15 . B 22 PHE HEy H 1 7.15 . B 22 PHE HZ H 1 7.23 . B 22 PHE CA C 13 57.73 . B 22 PHE CB C 13 41.37 . B 22 PHE CDx C 13 132.17 . B 22 PHE CDy C 13 132.17 . B 22 PHE CEx C 13 130.15 . B 22 PHE CEy C 13 130.15 . B 22 PHE CZ C 13 131.47 . B 23 VAL HA H 1 3.97 . B 23 VAL HB H 1 1.87 . B 23 VAL HGx% H 1 0.82 . B 23 VAL HGy% H 1 0.76 . B 23 VAL CA C 13 62.00 . B 23 VAL CB C 13 32.85 . B 23 VAL CGy C 13 21.10 . B 23 VAL CGx C 13 20.50 . B 24 ASN H H 1 8.52 . B 24 ASN HA H 1 4.54 . B 24 ASN HBx H 1 2.68 . B 24 ASN HBy H 1 2.76 . B 24 ASN HD2x H 1 6.82 . B 24 ASN HD2y H 1 7.51 . B 24 ASN CA C 13 53.46 . B 24 ASN CB C 13 38.31 . B 24 ASN N N 15 122.34 . B 24 ASN ND2 N 15 112.04 . B 25 GLN H H 1 8.12 . B 25 GLN HA H 1 4.46 . B 25 GLN HBy H 1 2.02 . B 25 GLN HBx H 1 1.89 . B 25 GLN HE2x H 1 6.81 . B 25 GLN HE2y H 1 7.34 . B 25 GLN HGx H 1 2.10 . B 25 GLN HGy H 1 2.16 . B 25 GLN CA C 13 54.81 . B 25 GLN CB C 13 31.30 . B 25 GLN CG C 13 33.08 . B 25 GLN N N 15 118.01 . B 25 GLN NE2 N 15 111.72 . B 26 HIS H H 1 8.45 . B 26 HIS HA H 1 4.33 . B 26 HIS HBx H 1 3.05 . B 26 HIS HBy H 1 3.42 . B 26 HIS CA C 13 57.87 . B 26 HIS CB C 13 29.16 . B 26 HIS N N 15 120.63 . B 27 LEU H H 1 8.97 . B 27 LEU HA H 1 4.54 . B 27 LEU HBx H 1 0.70 . B 27 LEU HBy H 1 1.70 . B 27 LEU HDx% H 1 0.80 . B 27 LEU HDy% H 1 0.69 . B 27 LEU HG H 1 1.59 . B 27 LEU CA C 13 53.72 . B 27 LEU CB C 13 44.72 . B 27 LEU CDy C 13 26.47 . B 27 LEU CDx C 13 23.80 . B 27 LEU CG C 13 25.59 . B 27 LEU N N 15 127.03 . B 28 CYS H H 1 8.82 . B 28 CYS HA H 1 4.91 . B 28 CYS HBy H 1 3.18 . B 28 CYS HBx H 1 2.90 . B 28 CYS CA C 13 53.92 . B 28 CYS CB C 13 47.34 . B 28 CYS N N 15 120.18 . B 29 GLY H H 1 9.32 . B 29 GLY HAx H 1 3.79 . B 29 GLY HAy H 1 3.79 . B 29 GLY CA C 13 46.65 . B 29 GLY N N 15 112.18 . B 30 SER HA H 1 4.09 . B 30 SER HBx H 1 3.88 . B 30 SER HBy H 1 3.99 . B 30 SER CA C 13 61.29 . B 30 SER CB C 13 62.56 . B 31 ASP H H 1 7.96 . B 31 ASP HA H 1 4.36 . B 31 ASP HBx H 1 2.61 . B 31 ASP HBy H 1 2.95 . B 31 ASP CA C 13 57.06 . B 31 ASP CB C 13 39.79 . B 31 ASP N N 15 121.06 . B 32 LEU H H 1 6.91 . B 32 LEU HA H 1 3.89 . B 32 LEU HBx H 1 1.13 . B 32 LEU HBy H 1 1.76 . B 32 LEU HDx% H 1 0.62 . B 32 LEU HDy% H 1 0.66 . B 32 LEU HG H 1 1.23 . B 32 LEU CA C 13 57.60 . B 32 LEU CB C 13 40.46 . B 32 LEU CDx C 13 22.57 . B 32 LEU CDy C 13 25.40 . B 32 LEU CG C 13 27.11 . B 32 LEU N N 15 121.07 . B 33 VAL H H 1 6.90 . B 33 VAL HA H 1 3.24 . B 33 VAL HB H 1 2.06 . B 33 VAL HGx% H 1 0.90 . B 33 VAL HGy% H 1 0.88 . B 33 VAL CA C 13 66.61 . B 33 VAL CB C 13 31.60 . B 33 VAL CGy C 13 22.19 . B 33 VAL CGx C 13 21.30 . B 33 VAL N N 15 117.41 . B 34 GLU H H 1 7.85 . B 34 GLU HA H 1 4.00 . B 34 GLU HBx H 1 2.00 . B 34 GLU HBy H 1 2.00 . B 34 GLU HGx H 1 2.27 . B 34 GLU HGy H 1 2.39 . B 34 GLU CA C 13 59.24 . B 34 GLU CB C 13 29.36 . B 34 GLU CG C 13 36.34 . B 34 GLU N N 15 117.72 . B 35 ALA H H 1 7.56 . B 35 ALA HA H 1 4.04 . B 35 ALA HB% H 1 1.33 . B 35 ALA CA C 13 55.24 . B 35 ALA CB C 13 19.01 . B 35 ALA N N 15 121.73 . B 36 LEU H H 1 8.09 . B 36 LEU HA H 1 3.74 . B 36 LEU HBx H 1 0.63 . B 36 LEU HBy H 1 1.23 . B 36 LEU HDx% H 1 0.24 . B 36 LEU HDy% H 1 0.56 . B 36 LEU HG H 1 1.32 . B 36 LEU CA C 13 57.67 . B 36 LEU CB C 13 41.12 . B 36 LEU CDy C 13 25.47 . B 36 LEU CDx C 13 23.97 . B 36 LEU CG C 13 26.69 . B 36 LEU N N 15 118.14 . B 37 TYR H H 1 8.16 . B 37 TYR HA H 1 4.29 . B 37 TYR HBx H 1 3.10 . B 37 TYR HBy H 1 3.22 . B 37 TYR HDx H 1 7.14 . B 37 TYR HDy H 1 7.14 . B 37 TYR HEx H 1 6.77 . B 37 TYR HEy H 1 6.77 . B 37 TYR CA C 13 61.15 . B 37 TYR CB C 13 37.76 . B 37 TYR CDx C 13 133.08 . B 37 TYR CDy C 13 133.08 . B 37 TYR CEx C 13 118.03 . B 37 TYR CEy C 13 118.03 . B 37 TYR N N 15 119.84 . B 38 LEU H H 1 7.68 . B 38 LEU HA H 1 3.96 . B 38 LEU HBy H 1 1.88 . B 38 LEU HBx H 1 1.68 . B 38 LEU HDx% H 1 0.91 . B 38 LEU HDy% H 1 0.88 . B 38 LEU HG H 1 1.76 . B 38 LEU CA C 13 57.68 . B 38 LEU CB C 13 42.12 . B 38 LEU CDy C 13 24.91 . B 38 LEU CDx C 13 23.74 . B 38 LEU CG C 13 26.92 . B 38 LEU N N 15 129.99 . B 39 VAL H H 1 8.36 . B 39 VAL HA H 1 3.70 . B 39 VAL HB H 1 1.95 . B 39 VAL HGx% H 1 0.96 . B 39 VAL HGy% H 1 0.81 . B 39 VAL CA C 13 65.66 . B 39 VAL CB C 13 32.74 . B 39 VAL CGy C 13 23.11 . B 39 VAL CGx C 13 21.55 . B 39 VAL N N 15 118.27 . B 40 CYS H H 1 8.68 . B 40 CYS HA H 1 4.73 . B 40 CYS HBy H 1 3.21 . B 40 CYS HBx H 1 2.82 . B 40 CYS CA C 13 53.95 . B 40 CYS CB C 13 36.54 . B 40 CYS N N 15 115.85 . B 41 GLY H H 1 7.71 . B 41 GLY HAy H 1 3.87 . B 41 GLY HAx H 1 3.69 . B 41 GLY CA C 13 46.59 . B 41 GLY N N 15 108.84 . B 42 GLU H H 1 8.96 . B 42 GLU HA H 1 4.10 . B 42 GLU HBx H 1 1.97 . B 42 GLU HBy H 1 2.07 . B 42 GLU HGx H 1 2.32 . B 42 GLU HGy H 1 2.32 . B 42 GLU CA C 13 57.80 . B 42 GLU CB C 13 29.27 . B 42 GLU CG C 13 36.32 . B 42 GLU N N 15 124.32 . B 43 ARG H H 1 8.02 . B 43 ARG HA H 1 4.08 . B 43 ARG HBy H 1 2.07 . B 43 ARG HBx H 1 1.99 . B 43 ARG HDy H 1 3.30 . B 43 ARG HDx H 1 3.24 . B 43 ARG HE H 1 7.11 . B 43 ARG HGx H 1 1.77 . B 43 ARG HGy H 1 1.77 . B 43 ARG CA C 13 58.13 . B 43 ARG CB C 13 31.020 . B 43 ARG CD C 13 44.05 . B 43 ARG CG C 13 27.04 . B 43 ARG N N 15 117.96 . B 43 ARG NE N 15 84.12 . B 44 GLY H H 1 7.38 . B 44 GLY HAy H 1 4.10 . B 44 GLY HAx H 1 3.84 . B 45 TYR H H 1 7.64 . B 45 TYR HA H 1 5.19 . B 45 TYR HBy H 1 3.04 . B 45 TYR HBx H 1 2.94 . B 45 TYR HDx H 1 6.73 . B 45 TYR HDy H 1 6.73 . B 45 TYR HEx H 1 6.67 . B 45 TYR HEy H 1 6.67 . B 46 PHE H H 1 8.51 . B 46 PHE HA H 1 4.82 . B 46 PHE HBx H 1 3.16 . B 46 PHE HBy H 1 3.16 . B 46 PHE HDx H 1 7.18 . B 46 PHE HDy H 1 7.18 . B 46 PHE HEx H 1 7.26 . B 46 PHE HEy H 1 7.26 . B 47 TYR H H 1 8.16 . B 47 TYR HA H 1 4.64 . B 47 TYR HBx H 1 2.98 . B 47 TYR HBy H 1 2.98 . B 47 TYR HDx H 1 6.96 . B 47 TYR HDy H 1 6.96 . B 47 TYR HEx H 1 6.67 . B 47 TYR HEy H 1 6.67 . B 48 THR H H 1 7.74 . B 48 THR HA H 1 4.40 . B 48 THR HB H 1 4.08 . B 48 THR HG2% H 1 1.18 . B 49 LYS H H 1 8.24 . B 49 LYS HA H 1 4.35 . B 49 LYS HBy H 1 1.79 . B 49 LYS HBx H 1 1.70 . B 49 LYS HDx H 1 1.64 . B 49 LYS HDy H 1 1.64 . B 49 LYS HEx H 1 2.91 . B 49 LYS HEy H 1 2.91 . B 49 LYS HGx H 1 1.43 . B 49 LYS HGy H 1 1.43 . B 50 PRO HA H 1 4.48 . B 50 PRO HBy H 1 2.28 . B 50 PRO HBx H 1 2.04 . B 50 PRO HDy H 1 3.74 . B 50 PRO HDx H 1 3.59 . B 50 PRO HGx H 1 1.98 . B 50 PRO HGy H 1 2.00 . B 51 THR H H 1 7.76 . B 51 THR HA H 1 4.12 . B 51 THR HB H 1 4.23 . B 51 THR HG2% H 1 1.18 . 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 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 2 ILE HG2% A 1 GLY HAx 1.0 1.8 6.0 2 1 A 1 GLY HAy A 2 ILE HG2% 1.0 1.8 6.0 3 2 A 2 ILE H A 1 GLY HAx 1.0 1.8 3.5 4 2 A 1 GLY HAy A 2 ILE H 1.0 1.8 3.5 5 3 A 3 VAL H A 1 GLY HAx 1.0 1.8 3.8 6 3 A 1 GLY HAy A 3 VAL H 1.0 1.8 3.8 7 4 A 4 GLU H A 1 GLY HAx 1.0 1.8 4.0 8 4 A 1 GLY HAy A 4 GLU H 1.0 1.8 4.0 9 5 A 19 TYR HEx A 1 GLY HAx 1.0 1.8 5.0 10 5 A 1 GLY HAy A 19 TYR HEx 1.0 1.8 5.0 11 6 A 2 ILE HA A 2 ILE HD1% 1.0 1.8 5.5 12 7 A 2 ILE HA A 2 ILE HG1x 1.0 1.8 5.0 13 8 A 2 ILE H A 2 ILE HD1% 1.0 1.8 5.3 14 9 A 2 ILE HG2% A 2 ILE H 1.0 1.8 3.5 15 10 A 2 ILE H A 2 ILE HB 1.0 1.8 4.0 16 11 A 2 ILE H A 2 ILE HG1y 1.0 1.8 4.6 17 12 A 2 ILE H A 2 ILE HG1x 1.0 1.8 4.5 18 13 A 2 ILE HG2% A 3 VAL HGy% 1.0 1.8 3.7 19 14 A 2 ILE HG1x A 3 VAL HGy% 1.0 1.8 5.5 20 15 A 3 VAL H A 2 ILE HG1y 1.0 1.8 5.5 21 16 A 2 ILE HG2% A 3 VAL HGx% 1.0 1.8 6.0 22 17 A 2 ILE HG2% A 3 VAL HB 1.0 1.8 5.5 23 18 A 2 ILE HG2% A 3 VAL H 1.0 1.8 3.8 24 19 A 2 ILE H A 3 VAL H 1.0 1.8 4.0 25 20 A 2 ILE H A 3 VAL HGy% 1.0 1.8 5.5 26 21 A 3 VAL H A 2 ILE HA 1.0 1.8 4.0 27 22 A 4 GLU H A 2 ILE HA 1.0 1.8 4.0 28 23 A 2 ILE HG1x A 6 CYS H 1.0 1.8 5.0 29 24 A 2 ILE HG1y A 6 CYS H 1.0 1.8 4.5 30 25 A 2 ILE HD1% A 16 LEU HDy% 1.0 1.8 6.0 31 26 A 2 ILE HD1% A 16 LEU HDx% 1.0 1.8 4.5 32 27 A 2 ILE HD1% A 19 TYR HBx 1.0 1.8 4.5 33 28 A 2 ILE HD1% A 19 TYR HBy 1.0 1.8 4.5 34 29 A 2 ILE HG1x A 19 TYR HEy 1.0 1.8 5.0 35 30 A 2 ILE HG1y A 19 TYR HEy 1.0 1.8 3.5 36 31 A 2 ILE HG2% A 19 TYR HEy 1.0 1.8 5.5 37 32 A 2 ILE HD1% A 19 TYR H 1.0 1.8 5.0 38 33 A 2 ILE H A 19 TYR HEx 1.0 1.8 4.0 39 34 A 2 ILE HD1% A 19 TYR HEy 1.0 1.8 4.0 40 35 A 2 ILE HD1% A 19 TYR HDy 1.0 1.8 3.8 41 36 A 2 ILE HB A 19 TYR HDx 1.0 1.8 4.3 42 37 A 19 TYR HEx A 2 ILE HB 1.0 1.8 3.5 43 38 A 2 ILE HG1y B 32 LEU HDx% 1.0 1.8 5.0 44 39 A 2 ILE HG1x B 32 LEU HDx% 1.0 1.8 4.0 45 40 A 2 ILE HG1x B 32 LEU HDy% 1.0 1.8 4.0 46 41 A 2 ILE HG2% B 32 LEU HDx% 1.0 1.8 5.5 47 42 A 2 ILE HG2% B 32 LEU HDy% 1.0 1.8 4.5 48 43 A 2 ILE HD1% B 32 LEU HDx% 1.0 1.8 4.3 49 44 A 2 ILE HD1% B 32 LEU HDy% 1.0 1.8 4.8 50 45 A 2 ILE HD1% B 36 LEU HG 1.0 1.8 5.0 51 46 A 2 ILE HD1% B 36 LEU HDy% 1.0 2.8 4.5 52 47 A 2 ILE HD1% B 36 LEU HDx% 1.0 2.8 4.5 53 48 A 2 ILE HG2% B 36 LEU HDx% 1.0 1.8 6.0 54 49 A 2 ILE HG2% B 47 TYR HDx 1.0 1.8 3.8 55 50 A 2 ILE HG2% B 47 TYR HEx 1.0 1.8 3.4 56 51 A 2 ILE HD1% B 47 TYR HDx 1.0 1.8 4.3 57 52 A 2 ILE HD1% B 47 TYR HEx 1.0 1.8 4.8 58 53 A 2 ILE HG1x B 47 TYR HEx 1.0 1.8 4.2 59 54 A 2 ILE HG2% B 47 TYR HA 1.0 1.8 4.5 60 55 A 2 ILE H B 51 THR HG2% 1.0 1.8 5.5 61 56 A 3 VAL HGy% A 3 VAL HA 1.0 1.8 4.0 62 57 A 3 VAL HGx% A 3 VAL HA 1.0 1.8 4.0 63 58 A 3 VAL HB A 3 VAL HA 1.0 1.8 4.0 64 59 A 3 VAL H A 3 VAL HA 1.0 1.8 3.0 65 60 A 3 VAL H A 3 VAL HB 1.0 1.8 2.9 66 61 A 3 VAL H A 3 VAL HGx% 1.0 1.8 4.2 67 62 A 3 VAL H A 3 VAL HGy% 1.0 1.8 4.0 68 63 A 3 VAL HGx% A 4 GLU HA 1.0 1.8 4.8 69 64 A 3 VAL HGx% A 4 GLU HGy 1.0 1.8 4.8 70 65 A 4 GLU H A 3 VAL HGy% 1.0 1.8 4.2 71 66 A 4 GLU H A 3 VAL HGx% 1.0 1.8 4.4 72 67 A 4 GLU H A 3 VAL HA 1.0 1.8 4.0 73 68 A 4 GLU H A 3 VAL HB 1.0 1.8 4.0 74 69 A 3 VAL H A 4 GLU HA 1.0 1.8 5.5 75 70 A 3 VAL HGx% A 7 CYS HBy 1.0 1.8 4.0 76 71 A 3 VAL HGx% A 7 CYS HBx 1.0 1.8 4.0 77 72 A 3 VAL HA A 7 CYS HBy 1.0 1.8 4.0 78 73 A 3 VAL HGy% A 7 CYS HBy 1.0 1.8 6.5 79 74 A 3 VAL HA A 7 CYS H 1.0 1.8 3.5 80 75 A 3 VAL HGx% A 7 CYS H 1.0 1.8 5.0 81 76 B 32 LEU HDy% A 3 VAL HA 1.0 1.8 4.0 82 77 A 3 VAL HGx% B 32 LEU HDy% 1.0 1.8 5.0 83 78 A 3 VAL HGy% B 32 LEU HDy% 1.0 1.8 4.5 84 79 A 3 VAL HGy% B 47 TYR HEx 1.0 1.8 4.0 85 80 A 3 VAL HGy% B 47 TYR HDx 1.0 1.8 5.2 86 81 A 4 GLU HA A 4 GLU HGy 1.0 1.8 4.0 87 82 A 4 GLU HA A 4 GLU HGx 1.0 1.8 3.7 88 83 A 4 GLU H A 4 GLU HGy 1.0 1.8 3.3 89 84 A 4 GLU H A 4 GLU HGx 1.0 1.8 3.3 90 85 A 4 GLU H A 4 GLU HBx 1.0 1.8 3.3 91 85 A 4 GLU H A 4 GLU HBy 1.0 1.8 3.3 92 86 A 4 GLU HGx A 5 GLN H 1.0 1.8 4.5 93 87 A 5 GLN H A 4 GLU HBx 1.0 1.8 4.0 94 87 A 4 GLU HBy A 5 GLN H 1.0 1.8 4.0 95 88 A 4 GLU HA A 5 GLN H 1.0 1.8 3.5 96 89 A 4 GLU HA A 7 CYS H 1.0 1.8 4.5 97 90 A 4 GLU HA A 8 THR HB 1.0 1.8 4.0 98 91 A 5 GLN HA A 5 GLN HBy 1.0 1.8 3.3 99 92 A 5 GLN HA A 5 GLN HBx 1.0 1.8 3.3 100 93 A 5 GLN H A 5 GLN HA 1.0 1.8 3.3 101 94 A 5 GLN H A 5 GLN HGy 1.0 1.8 5.0 102 95 A 5 GLN H A 5 GLN HBy 1.0 1.8 4.0 103 96 A 5 GLN HA A 5 GLN HGy 1.0 1.8 4.0 104 97 A 5 GLN HA A 5 GLN HGx 1.0 1.8 4.0 105 98 A 5 GLN HBy A 5 GLN HE2y 1.0 1.8 3.5 106 99 A 5 GLN HBx A 5 GLN HE2y 1.0 1.8 3.3 107 100 A 5 GLN HGy A 5 GLN HE2y 1.0 1.8 3.3 108 101 A 5 GLN HGx A 5 GLN HE2y 1.0 1.8 3.3 109 102 A 5 GLN HA A 5 GLN HE2y 1.0 1.8 4.5 110 103 A 5 GLN HGy A 5 GLN HE2x 1.0 1.8 4.0 111 104 A 5 GLN HGx A 5 GLN HE2x 1.0 1.8 4.0 112 105 A 5 GLN HBy A 5 GLN HE2x 1.0 1.8 4.5 113 106 A 5 GLN HBx A 5 GLN HE2x 1.0 1.8 4.5 114 107 A 6 CYS H A 5 GLN HGy 1.0 1.8 5.0 115 108 A 6 CYS H A 5 GLN HA 1.0 1.8 4.0 116 109 A 6 CYS H A 5 GLN HGx 1.0 1.8 4.5 117 110 A 6 CYS H A 5 GLN HBy 1.0 1.8 4.0 118 111 A 6 CYS H A 5 GLN HBx 1.0 1.8 4.0 119 112 A 5 GLN HA A 9 SER HBy 1.0 1.8 4.0 120 113 A 6 CYS H A 6 CYS HA 1.0 1.8 3.3 121 114 A 6 CYS H A 6 CYS HBx 1.0 1.8 3.5 122 115 A 7 CYS H A 6 CYS HBy 1.0 1.8 3.3 123 116 A 7 CYS H A 6 CYS HA 1.0 1.8 3.5 124 117 A 6 CYS HA A 11 CYS H 1.0 1.8 3.8 125 118 A 6 CYS HBx B 27 LEU H 1.0 1.8 4.0 126 119 A 6 CYS H B 32 LEU HDx% 1.0 1.8 6.0 127 120 A 6 CYS H B 32 LEU HDy% 1.0 1.8 5.0 128 121 A 6 CYS HA A 11 CYS HBy 1.0 1.8 4.8 129 122 A 7 CYS HBy A 7 CYS HA 1.0 1.8 3.8 130 123 A 7 CYS HBx A 7 CYS HA 1.0 1.8 3.3 131 124 A 7 CYS HBx A 7 CYS H 1.0 1.8 5.0 132 125 A 7 CYS HBy A 7 CYS H 1.0 1.8 3.3 133 126 A 7 CYS HBy A 8 THR H 1.0 1.8 3.5 134 127 A 7 CYS HBx A 8 THR H 1.0 1.8 3.3 135 128 A 7 CYS HA B 26 HIS HBx 1.0 1.8 5.0 136 129 A 7 CYS HA B 26 HIS HBy 1.0 1.8 4.0 137 130 B 27 LEU H A 7 CYS HA 1.0 1.8 4.0 138 131 A 7 CYS HBy B 28 CYS HBy 1.0 1.8 6.0 139 132 A 7 CYS HBy B 28 CYS HBx 1.0 1.8 5.0 140 133 B 32 LEU HDy% A 7 CYS H 1.0 1.8 5.0 141 134 A 8 THR H A 8 THR HA 1.0 1.8 3.2 142 135 A 8 THR HB A 8 THR HA 1.0 1.8 3.2 143 136 A 8 THR HA A 8 THR HG2% 1.0 1.8 3.2 144 137 A 8 THR HB A 8 THR H 1.0 1.8 3.3 145 138 A 8 THR H A 8 THR HG2% 1.0 1.8 4.3 146 139 A 8 THR HG2% A 9 SER HBx 1.0 1.8 6.0 147 140 A 9 SER HBy A 8 THR HG2% 1.0 1.8 6.0 148 141 A 8 THR HB A 9 SER HBx 1.0 1.8 4.8 149 142 A 9 SER HBy A 8 THR H 1.0 1.8 5.0 150 143 A 9 SER HA A 9 SER H 1.0 1.8 3.2 151 144 A 9 SER HBx A 9 SER HA 1.0 1.8 3.2 152 145 A 9 SER HBy A 9 SER HA 1.0 1.8 3.2 153 146 A 9 SER HBy A 10 ILE HB 1.0 1.8 5.5 154 147 A 9 SER HBx A 10 ILE HB 1.0 1.8 5.0 155 148 A 9 SER HA A 10 ILE H 1.0 1.8 3.3 156 149 A 9 SER HBx A 10 ILE H 1.0 1.8 3.3 157 150 A 9 SER HBy A 10 ILE H 1.0 1.8 3.9 158 151 A 10 ILE HA A 10 ILE HG2% 1.0 1.8 3.2 159 152 A 10 ILE HB A 10 ILE HD1% 1.0 1.8 3.2 160 153 A 10 ILE HA A 10 ILE HD1% 1.0 1.8 5.5 161 154 A 10 ILE HA A 10 ILE HG1y 1.0 1.8 6.0 162 155 A 10 ILE HA A 10 ILE HG1x 1.0 1.8 6.0 163 156 A 10 ILE H A 10 ILE HG1x 1.0 1.8 4.0 164 157 A 10 ILE H A 10 ILE HG2% 1.0 1.8 4.5 165 158 A 10 ILE H A 10 ILE HG1y 1.0 1.8 3.5 166 159 A 10 ILE HB A 10 ILE H 1.0 1.8 3.3 167 160 A 10 ILE H A 10 ILE HD1% 1.0 1.8 4.5 168 161 A 11 CYS H A 10 ILE HA 1.0 1.8 4.0 169 162 A 11 CYS H A 10 ILE HG2% 1.0 1.8 4.8 170 163 A 11 CYS H A 10 ILE HB 1.0 1.8 4.8 171 164 A 11 CYS H A 10 ILE HD1% 1.0 1.8 6.0 172 165 A 10 ILE HG2% A 12 SER HA 1.0 1.8 5.5 173 166 A 10 ILE HG2% B 24 ASN HA 1.0 1.8 3.2 174 167 A 10 ILE HG2% B 24 ASN HBx 1.0 1.8 4.0 175 168 A 10 ILE HG2% B 24 ASN HBy 1.0 1.8 3.2 176 169 A 10 ILE HG2% B 25 GLN HA 1.0 1.8 4.0 177 170 A 10 ILE HG2% B 25 GLN HBy 1.0 1.8 5.8 178 171 A 10 ILE HG2% B 25 GLN HBx 1.0 1.8 5.8 179 172 A 10 ILE HD1% B 25 GLN HA 1.0 1.8 3.8 180 173 A 10 ILE HG2% B 25 GLN H 1.0 1.8 4.0 181 174 A 10 ILE HG1x B 25 GLN H 1.0 1.8 5.0 182 175 A 10 ILE HG2% B 26 HIS HA 1.0 1.8 5.5 183 176 A 10 ILE HB B 26 HIS HE1 1.0 1.8 5.0 184 177 A 10 ILE HG1y B 26 HIS HE1 1.0 1.8 3.3 185 178 A 10 ILE HG1x B 26 HIS HE1 1.0 1.8 5.0 186 179 A 10 ILE HD1% B 26 HIS HE1 1.0 1.8 5.0 187 180 A 10 ILE HD1% B 26 HIS HD2 1.0 1.8 5.0 188 181 A 10 ILE HG1y B 26 HIS HD2 1.0 1.8 4.3 189 182 A 10 ILE HG1x B 26 HIS HD2 1.0 1.8 3.3 190 183 A 10 ILE HG1y B 26 HIS H 1.0 1.8 4.8 191 184 A 10 ILE HD1% B 26 HIS H 1.0 1.8 4.3 192 185 B 27 LEU H A 10 ILE HG1y 1.0 1.8 5.8 193 186 A 11 CYS H A 11 CYS HBx 1.0 1.8 3.8 194 187 A 11 CYS HA A 12 SER H 1.0 1.8 3.3 195 188 A 11 CYS HBx A 12 SER H 1.0 1.8 3.8 196 189 A 16 LEU HDx% A 11 CYS HBx 1.0 1.8 5.0 197 190 A 16 LEU HDx% A 11 CYS HBy 1.0 1.8 5.0 198 191 A 12 SER HA A 12 SER HBx 1.0 1.8 3.3 199 192 A 12 SER HA A 12 SER HBy 1.0 1.8 3.3 200 193 A 12 SER HA A 12 SER H 1.0 1.8 3.3 201 194 A 12 SER H A 12 SER HBx 1.0 1.8 3.9 202 195 A 12 SER H A 12 SER HBy 1.0 1.8 3.3 203 196 A 12 SER HBx A 13 LEU H 1.0 1.8 4.0 204 197 A 12 SER HBy A 13 LEU H 1.0 1.8 4.0 205 198 A 12 SER HA A 13 LEU H 1.0 1.8 3.3 206 199 A 12 SER HBx A 14 TYR HDx 1.0 1.8 4.0 207 200 A 12 SER HBy A 14 TYR HDx 1.0 1.8 4.0 208 201 A 12 SER HBx A 14 TYR H 1.0 1.8 2.9 209 202 A 12 SER HBy A 14 TYR H 1.0 1.8 4.0 210 203 A 12 SER HA A 14 TYR H 1.0 1.8 4.0 211 204 A 12 SER HBx A 15 GLN HGy 1.0 1.8 5.0 212 205 A 12 SER HA A 15 GLN H 1.0 1.8 4.5 213 206 A 12 SER HBy A 15 GLN H 1.0 1.8 4.0 214 207 A 12 SER HBx A 15 GLN H 1.0 1.8 4.0 215 208 A 12 SER H A 15 GLN H 1.0 1.8 3.5 216 209 A 12 SER H A 15 GLN HBx 1.0 1.8 4.0 217 210 A 12 SER H A 15 GLN HGy 1.0 1.8 3.5 218 211 A 12 SER H A 15 GLN HBy 1.0 1.8 4.5 219 212 A 13 LEU HA A 13 LEU HBx 1.0 1.8 3.3 220 213 A 13 LEU HA A 13 LEU HBy 1.0 1.8 3.5 221 214 A 13 LEU H A 13 LEU HA 1.0 1.8 4.0 222 215 A 13 LEU HBy A 13 LEU HDx% 1.0 1.8 4.0 223 216 A 13 LEU HBy A 13 LEU HDy% 1.0 1.8 3.3 224 217 A 13 LEU HBx A 13 LEU HDx% 1.0 1.8 4.0 225 218 A 13 LEU HBx A 13 LEU HDy% 1.0 1.8 4.3 226 219 A 13 LEU HA A 13 LEU HG 1.0 1.8 4.0 227 220 A 13 LEU HA A 13 LEU HDy% 1.0 1.8 5.0 228 221 A 13 LEU HA A 13 LEU HDx% 1.0 1.8 3.2 229 222 A 13 LEU H A 13 LEU HBy 1.0 1.8 3.3 230 223 A 13 LEU H A 13 LEU HG 1.0 1.8 4.5 231 224 A 13 LEU H A 13 LEU HDx% 1.0 1.8 4.0 232 225 A 13 LEU H A 13 LEU HDy% 1.0 1.8 5.0 233 226 A 13 LEU H A 13 LEU HBx 1.0 1.8 4.0 234 227 A 14 TYR H A 13 LEU HA 1.0 1.8 3.5 235 228 A 14 TYR H A 13 LEU HBx 1.0 1.8 3.5 236 229 A 14 TYR H A 13 LEU HDx% 1.0 1.8 6.0 237 230 A 14 TYR H A 13 LEU HG 1.0 1.8 5.0 238 231 A 13 LEU H A 14 TYR H 1.0 1.8 2.9 239 232 A 14 TYR H A 13 LEU HBy 1.0 1.8 3.5 240 233 A 14 TYR H A 13 LEU HDy% 1.0 1.8 6.0 241 234 A 15 GLN H A 13 LEU HBy 1.0 1.8 5.5 242 235 A 13 LEU HA A 16 LEU HBx 1.0 1.8 3.3 243 236 A 13 LEU HA A 16 LEU HBy 1.0 1.8 3.3 244 237 A 13 LEU HA A 16 LEU HG 1.0 1.8 5.0 245 238 A 16 LEU HDy% A 13 LEU HA 1.0 1.8 4.0 246 239 A 13 LEU HA A 16 LEU H 1.0 1.8 4.0 247 240 A 16 LEU HDy% A 13 LEU HDx% 1.0 1.8 5.0 248 241 A 13 LEU HDx% A 16 LEU HBx 1.0 1.8 5.0 249 242 A 13 LEU HDx% A 17 GLU HGx 1.0 1.8 4.2 250 243 A 13 LEU HA A 17 GLU H 1.0 1.8 4.0 251 244 A 13 LEU HDx% B 22 PHE HDy 1.0 1.8 3.8 252 245 A 13 LEU HDx% B 22 PHE HBx 1.0 1.8 4.0 253 246 A 13 LEU HDx% B 22 PHE HBy 1.0 1.8 4.0 254 247 A 13 LEU HDy% B 22 PHE HBx 1.0 1.8 5.5 255 248 A 13 LEU HBx B 22 PHE HDy 1.0 1.8 5.0 256 249 A 13 LEU HG B 22 PHE HDy 1.0 1.8 5.5 257 250 A 13 LEU HDy% B 22 PHE HDy 1.0 1.8 5.5 258 251 A 13 LEU HDx% B 22 PHE HEy 1.0 1.8 5.0 259 252 A 13 LEU HDx% B 22 PHE HZ 1.0 1.8 5.7 260 253 A 13 LEU HA B 39 VAL HGx% 1.0 1.8 5.5 261 254 A 13 LEU HA B 39 VAL HGy% 1.0 1.8 5.0 262 255 A 13 LEU HG B 39 VAL HGy% 1.0 1.8 5.0 263 256 A 13 LEU HDx% B 39 VAL HGx% 1.0 1.8 5.0 264 257 A 13 LEU HDx% B 39 VAL HGy% 1.0 1.8 4.0 265 258 A 13 LEU HDx% B 39 VAL HA 1.0 1.8 5.5 266 259 A 13 LEU HDy% B 39 VAL HGx% 1.0 1.8 5.5 267 260 A 14 TYR HA A 14 TYR HBx 1.0 1.8 2.9 268 260 A 14 TYR HA A 14 TYR HBy 1.0 1.8 2.9 269 261 A 14 TYR H A 14 TYR HA 1.0 1.8 3.0 270 262 A 14 TYR HDx A 14 TYR HBx 1.0 1.8 3.2 271 262 A 14 TYR HDx A 14 TYR HBy 1.0 1.8 3.2 272 263 A 14 TYR HDy A 14 TYR HBx 1.0 1.8 3.2 273 263 A 14 TYR HBy A 14 TYR HDy 1.0 1.8 3.2 274 264 A 14 TYR HA A 14 TYR HDy 1.0 1.8 3.3 275 265 A 14 TYR HEx A 14 TYR HBx 1.0 1.8 5.5 276 265 A 14 TYR HBy A 14 TYR HEx 1.0 1.8 5.5 277 266 A 14 TYR HEy A 14 TYR HBx 1.0 1.8 5.0 278 266 A 14 TYR HBy A 14 TYR HEy 1.0 1.8 5.0 279 267 A 14 TYR H A 14 TYR HBx 1.0 1.8 3.9 280 267 A 14 TYR H A 14 TYR HBy 1.0 1.8 3.9 281 268 A 14 TYR HDx A 14 TYR H 1.0 1.8 3.1 282 269 A 15 GLN H A 14 TYR HA 1.0 1.8 4.0 283 270 A 14 TYR H A 15 GLN H 1.0 1.8 2.9 284 271 A 15 GLN H A 14 TYR HBx 1.0 1.8 3.8 285 271 A 15 GLN H A 14 TYR HBy 1.0 1.8 3.8 286 272 A 14 TYR HDx A 15 GLN HGx 1.0 1.8 5.0 287 273 A 14 TYR HDx A 15 GLN HGy 1.0 1.8 3.3 288 274 A 14 TYR HDy A 15 GLN HA 1.0 1.8 3.5 289 275 A 14 TYR HEy A 15 GLN HGx 1.0 0.8 4.0 290 276 A 14 TYR HDx A 15 GLN HBy 1.0 1.8 5.5 291 277 A 14 TYR HA A 17 GLU HBx 1.0 1.8 2.9 292 278 A 17 GLU HGx A 14 TYR HA 1.0 1.8 5.0 293 279 A 17 GLU H A 14 TYR HA 1.0 1.8 3.7 294 280 A 14 TYR HDy A 17 GLU HBx 1.0 1.8 5.8 295 281 A 14 TYR HEy A 18 ASN HD2y 1.0 1.8 4.3 296 282 A 14 TYR HDy A 18 ASN HD2y 1.0 1.8 5.0 297 283 A 15 GLN HBy A 15 GLN HA 1.0 1.8 3.8 298 284 A 15 GLN HBx A 15 GLN HA 1.0 1.8 3.3 299 285 A 15 GLN H A 15 GLN HA 1.0 1.8 3.3 300 286 A 15 GLN HGy A 15 GLN HA 1.0 1.8 3.7 301 287 A 15 GLN HGx A 15 GLN HA 1.0 1.8 3.8 302 288 A 15 GLN H A 15 GLN HBx 1.0 1.8 3.5 303 289 A 15 GLN HGy A 15 GLN H 1.0 1.8 3.7 304 290 A 15 GLN H A 15 GLN HBy 1.0 1.8 3.5 305 291 A 15 GLN HBy A 15 GLN HE2x 1.0 1.8 3.3 306 292 A 15 GLN HGx A 15 GLN HE2x 1.0 1.8 4.0 307 293 A 15 GLN HA A 15 GLN HE2y 1.0 1.8 5.5 308 294 A 15 GLN HGy A 15 GLN HE2y 1.0 1.8 3.3 309 295 A 15 GLN HGx A 15 GLN HE2y 1.0 1.8 3.3 310 296 A 15 GLN HBy A 15 GLN HE2y 1.0 1.8 3.3 311 297 A 15 GLN H A 15 GLN HGx 1.0 1.8 3.3 312 298 A 15 GLN HBx A 15 GLN HE2y 1.0 1.8 3.5 313 299 A 15 GLN HBy A 16 LEU H 1.0 1.8 4.0 314 300 A 15 GLN HBx A 16 LEU H 1.0 1.8 4.0 315 301 A 15 GLN H A 16 LEU H 1.0 1.8 4.0 316 302 A 15 GLN H A 17 GLU H 1.0 1.8 4.0 317 303 A 15 GLN HA A 18 ASN HBy 1.0 1.8 3.3 318 304 A 15 GLN HA A 18 ASN HBx 1.0 1.8 3.3 319 305 A 15 GLN HA A 18 ASN HD2y 1.0 1.8 4.0 320 306 A 15 GLN HA A 18 ASN HD2x 1.0 1.8 4.0 321 307 A 15 GLN HA A 18 ASN H 1.0 1.8 3.5 322 308 A 16 LEU H A 16 LEU HA 1.0 1.8 3.3 323 309 A 16 LEU HDy% A 16 LEU HBx 1.0 1.8 3.2 324 310 A 16 LEU HDx% A 16 LEU HBx 1.0 1.8 3.7 325 311 A 16 LEU HDy% A 16 LEU HBy 1.0 1.8 3.2 326 312 A 16 LEU HDx% A 16 LEU HBy 1.0 1.8 3.2 327 313 A 16 LEU HG A 16 LEU HA 1.0 1.8 3.3 328 314 A 16 LEU HDy% A 16 LEU HA 1.0 1.8 4.5 329 315 A 16 LEU HDx% A 16 LEU HA 1.0 1.8 4.0 330 316 A 16 LEU HDy% A 16 LEU H 1.0 1.8 5.0 331 317 A 16 LEU HBy A 16 LEU H 1.0 1.8 3.3 332 318 A 16 LEU HG A 16 LEU H 1.0 1.8 4.6 333 319 A 16 LEU HBx A 16 LEU H 1.0 1.8 3.3 334 320 A 16 LEU HDx% A 16 LEU H 1.0 1.8 4.4 335 321 A 16 LEU HDx% A 17 GLU H 1.0 1.8 5.5 336 322 A 17 GLU H A 16 LEU HA 1.0 1.8 4.0 337 323 A 16 LEU H A 17 GLU H 1.0 1.8 4.0 338 324 A 16 LEU H A 18 ASN H 1.0 1.8 4.2 339 325 A 19 TYR HDy A 16 LEU HA 1.0 1.8 6.0 340 326 A 19 TYR HBy A 16 LEU HA 1.0 1.8 4.0 341 327 A 19 TYR HEy A 16 LEU HA 1.0 1.8 6.0 342 328 A 16 LEU HDx% A 19 TYR HDy 1.0 1.8 5.5 343 329 A 16 LEU HDx% A 19 TYR HEy 1.0 1.8 5.5 344 330 A 19 TYR H A 16 LEU HG 1.0 1.8 5.5 345 331 A 19 TYR H A 16 LEU HA 1.0 1.8 4.0 346 332 A 16 LEU HDx% B 32 LEU HA 1.0 1.8 5.5 347 333 A 16 LEU HDx% B 32 LEU HDx% 1.0 1.8 4.0 348 334 A 16 LEU HDy% B 32 LEU HA 1.0 1.8 5.6 349 335 A 16 LEU HDy% B 32 LEU HDx% 1.0 1.8 5.2 350 336 A 16 LEU HDy% B 35 ALA HB% 1.0 1.8 4.0 351 337 A 16 LEU HDx% B 35 ALA HB% 1.0 1.8 5.0 352 338 A 16 LEU HDy% B 35 ALA H 1.0 1.8 6.0 353 339 B 36 LEU HDy% A 16 LEU HA 1.0 1.8 4.0 354 340 B 36 LEU HDy% A 16 LEU HBx 1.0 1.8 5.0 355 341 B 36 LEU HDy% A 16 LEU HBy 1.0 1.8 5.5 356 342 B 36 LEU HDy% A 16 LEU HG 1.0 1.8 4.0 357 343 A 16 LEU HDx% B 36 LEU HDy% 1.0 1.8 4.0 358 344 A 16 LEU HDx% B 36 LEU HG 1.0 1.8 3.8 359 345 A 16 LEU HDx% B 36 LEU H 1.0 1.8 5.0 360 346 A 16 LEU HDy% B 36 LEU HA 1.0 1.8 4.2 361 347 A 16 LEU HDy% B 36 LEU HDy% 1.0 1.8 5.0 362 348 A 16 LEU HDy% B 36 LEU H 1.0 1.8 4.8 363 349 A 16 LEU HBx B 39 VAL HB 1.0 1.8 4.2 364 350 A 16 LEU HBx B 39 VAL HGx% 1.0 1.8 4.0 365 351 A 16 LEU HBx B 39 VAL HGy% 1.0 1.8 4.0 366 352 A 16 LEU HBy B 39 VAL HB 1.0 1.8 5.6 367 353 A 16 LEU HBy B 39 VAL HGx% 1.0 1.8 5.6 368 354 A 16 LEU HBy B 39 VAL HGy% 1.0 1.8 5.0 369 355 A 16 LEU HG B 39 VAL HGy% 1.0 1.8 3.8 370 356 A 16 LEU HDx% B 39 VAL HB 1.0 1.8 5.8 371 357 A 16 LEU HDx% B 39 VAL HGy% 1.0 1.8 5.5 372 358 A 16 LEU HDy% B 39 VAL HGx% 1.0 1.8 5.2 373 359 A 16 LEU HDy% B 39 VAL HGy% 1.0 1.8 3.7 374 360 A 17 GLU HGx A 17 GLU HA 1.0 1.8 3.3 375 361 A 17 GLU HA A 17 GLU HGy 1.0 1.8 3.3 376 362 A 17 GLU H A 17 GLU HBy 1.0 1.8 4.0 377 363 A 17 GLU HGx A 17 GLU H 1.0 1.8 3.3 378 364 A 18 ASN H A 17 GLU HA 1.0 1.8 4.0 379 365 A 17 GLU HBx A 18 ASN H 1.0 1.8 4.0 380 366 A 17 GLU HGx A 18 ASN H 1.0 1.8 4.0 381 367 A 18 ASN H A 17 GLU HBy 1.0 1.8 4.0 382 368 A 17 GLU H A 18 ASN H 1.0 1.8 4.0 383 369 A 19 TYR H A 17 GLU HA 1.0 1.8 4.0 384 370 A 17 GLU HA A 20 CYS H 1.0 1.8 4.0 385 371 B 39 VAL HGx% A 17 GLU HA 1.0 1.8 4.0 386 372 B 39 VAL HGy% A 17 GLU HA 1.0 1.8 5.2 387 373 A 17 GLU HGx B 39 VAL HGy% 1.0 1.8 4.5 388 374 A 17 GLU HGx B 39 VAL HGx% 1.0 1.8 3.2 389 375 B 39 VAL HGx% A 17 GLU HGy 1.0 1.8 3.3 390 376 B 39 VAL HGy% A 17 GLU HGy 1.0 1.8 5.0 391 377 A 17 GLU H B 39 VAL HGx% 1.0 1.8 5.0 392 378 A 18 ASN H A 18 ASN HA 1.0 1.8 3.3 393 379 A 18 ASN HBx A 18 ASN H 1.0 1.8 3.3 394 380 A 18 ASN HBy A 18 ASN H 1.0 1.8 3.3 395 381 A 18 ASN HD2y A 18 ASN HBx 1.0 1.8 3.3 396 382 A 18 ASN HD2y A 18 ASN HBy 1.0 1.8 4.0 397 383 A 18 ASN HBx A 18 ASN HD2x 1.0 1.8 3.7 398 384 A 18 ASN HBy A 18 ASN HD2x 1.0 1.8 4.0 399 385 A 19 TYR HEy A 18 ASN HBx 1.0 1.8 5.0 400 386 A 19 TYR HDy A 18 ASN HBx 1.0 1.8 5.0 401 387 A 19 TYR H A 18 ASN HA 1.0 1.8 4.0 402 388 A 19 TYR H A 18 ASN HBx 1.0 1.8 4.0 403 389 A 19 TYR H A 18 ASN HBy 1.0 1.8 4.0 404 390 A 19 TYR H A 18 ASN H 1.0 1.8 4.0 405 391 A 18 ASN HBx A 20 CYS H 1.0 1.8 5.0 406 392 A 18 ASN HBy A 20 CYS H 1.0 1.8 5.0 407 393 A 20 CYS H A 18 ASN HA 1.0 1.8 4.0 408 394 A 19 TYR HDx A 19 TYR HA 1.0 1.8 3.8 409 395 A 19 TYR HEx A 19 TYR HBx 1.0 1.8 5.0 410 396 A 19 TYR HBx A 19 TYR HDx 1.0 1.8 4.0 411 397 A 19 TYR HBx A 19 TYR HDy 1.0 1.8 4.0 412 398 A 19 TYR HBy A 19 TYR HEy 1.0 1.8 5.0 413 399 A 19 TYR HBy A 19 TYR HDx 1.0 1.8 4.0 414 400 A 19 TYR HBy A 19 TYR HDy 1.0 1.8 4.0 415 401 A 19 TYR HEx A 19 TYR HA 1.0 1.8 5.0 416 402 A 19 TYR H A 19 TYR HDx 1.0 1.8 4.8 417 403 A 19 TYR HBy A 19 TYR H 1.0 1.8 3.3 418 404 A 19 TYR HBx A 19 TYR H 1.0 1.8 3.8 419 405 A 19 TYR HDx A 19 TYR HA 1.0 1.8 3.8 420 406 A 19 TYR H A 20 CYS HA 1.0 1.8 5.5 421 407 A 20 CYS H A 19 TYR HA 1.0 1.8 3.5 422 408 A 19 TYR H A 20 CYS HBx 1.0 1.8 4.6 423 409 A 19 TYR HBy A 20 CYS H 1.0 1.8 3.5 424 410 A 19 TYR HBx A 20 CYS H 1.0 1.8 4.5 425 411 A 19 TYR H A 20 CYS H 1.0 1.8 3.0 426 412 A 19 TYR HBx B 36 LEU HDx% 1.0 1.8 4.8 427 413 A 19 TYR HBx B 36 LEU HDy% 1.0 1.8 4.0 428 414 A 19 TYR HBy B 36 LEU HDx% 1.0 1.8 4.3 429 415 A 19 TYR HBy B 36 LEU HDy% 1.0 1.8 3.0 430 416 A 19 TYR HDy B 36 LEU HDy% 1.0 1.8 4.0 431 417 A 19 TYR H B 36 LEU HDy% 1.0 1.8 4.2 432 418 A 19 TYR HA B 46 PHE H 1.0 1.8 4.5 433 419 A 19 TYR HBx B 46 PHE H 1.0 1.8 4.0 434 420 A 20 CYS HA A 20 CYS HBx 1.0 1.8 3.5 435 421 A 20 CYS HA A 20 CYS HBy 1.0 1.8 2.8 436 422 A 20 CYS H A 20 CYS HBx 1.0 1.8 2.7 437 423 A 20 CYS H A 20 CYS HBy 1.0 1.8 3.0 438 424 A 20 CYS HA A 21 ASN H 1.0 1.8 2.8 439 425 A 20 CYS HBy A 21 ASN H 1.0 1.8 4.0 440 426 A 20 CYS HBx A 21 ASN H 1.0 1.8 4.0 441 427 A 20 CYS H A 21 ASN H 1.0 1.8 4.5 442 428 B 36 LEU HDy% A 20 CYS H 1.0 1.8 5.0 443 429 A 20 CYS HBy B 43 ARG HDy 1.0 1.8 5.0 444 430 A 20 CYS HBy B 43 ARG HBy 1.0 1.8 5.5 445 431 A 20 CYS HA B 45 TYR HA 1.0 1.8 3.4 446 432 A 20 CYS HA B 45 TYR HBy 1.0 1.8 4.0 447 433 A 20 CYS HBy B 45 TYR HA 1.0 1.8 5.0 448 434 A 20 CYS HBy B 45 TYR HBx 1.0 1.8 4.6 449 435 A 20 CYS HBy B 45 TYR HBy 1.0 1.8 3.5 450 436 A 21 ASN H A 21 ASN HA 1.0 1.8 3.0 451 437 A 21 ASN H A 21 ASN HBx 1.0 1.8 3.3 452 438 A 21 ASN H A 21 ASN HBy 1.0 1.8 3.3 453 439 A 21 ASN HBx A 21 ASN HD2y 1.0 1.8 3.7 454 440 A 21 ASN HBy A 21 ASN HD2y 1.0 1.8 3.7 455 441 A 21 ASN HBy A 21 ASN HD2x 1.0 1.8 3.3 456 442 A 21 ASN HBx A 21 ASN HD2x 1.0 1.8 3.3 457 443 A 21 ASN H A 21 ASN HD2x 1.0 1.8 5.0 458 444 A 21 ASN H A 21 ASN HD2y 1.0 1.8 5.5 459 445 A 21 ASN H B 40 CYS HBy 1.0 1.8 5.0 460 446 A 21 ASN HD2y B 44 GLY HAx 1.0 1.8 5.0 461 447 A 21 ASN H B 45 TYR HA 1.0 1.8 3.3 462 448 A 21 ASN H B 44 GLY O 1.0 1.8 2.7 463 449 B 44 GLY O A 21 ASN N 1.0 1.8 3.3 464 450 A 20 CYS H A 17 GLU O 1.0 1.8 2.7 465 451 A 17 GLU O A 20 CYS N 1.0 1.8 3.3 466 452 A 19 TYR H A 16 LEU O 1.0 1.8 2.7 467 453 A 16 LEU O A 19 TYR N 1.0 1.8 3.3 468 454 B 22 PHE HBx B 22 PHE HA 1.0 1.8 3.5 469 455 B 22 PHE HBy B 22 PHE HA 1.0 1.8 3.3 470 456 B 22 PHE HBx B 22 PHE HDx 1.0 1.8 3.0 471 457 B 22 PHE HDy B 22 PHE HBy 1.0 1.8 3.0 472 458 B 22 PHE HDy B 22 PHE HA 1.0 1.8 3.0 473 459 B 22 PHE HA B 23 VAL H 1.0 1.8 4.0 474 460 B 22 PHE HDx B 23 VAL HGx% 1.0 1.8 4.0 475 461 B 22 PHE HDx B 27 LEU HDy% 1.0 1.8 6.2 476 462 B 22 PHE HZ B 35 ALA HB% 1.0 1.8 4.5 477 463 B 35 ALA HB% B 22 PHE HEx 1.0 1.8 4.5 478 464 B 22 PHE HEy B 38 LEU HDy% 1.0 1.8 4.0 479 465 B 22 PHE HEy B 39 VAL HGy% 1.0 1.8 5.0 480 466 B 22 PHE HDy B 39 VAL HGy% 1.0 1.8 5.5 481 467 B 23 VAL HGx% B 23 VAL HA 1.0 1.8 4.0 482 468 B 23 VAL HA B 23 VAL HGy% 1.0 1.8 4.0 483 469 B 23 VAL H B 23 VAL HB 1.0 1.8 4.2 484 470 B 23 VAL H B 23 VAL HGx% 1.0 1.8 4.5 485 471 B 24 ASN HBx B 23 VAL HGy% 1.0 1.8 5.5 486 472 B 24 ASN HBy B 23 VAL HGy% 1.0 1.8 6.0 487 473 B 23 VAL HA B 24 ASN H 1.0 1.8 2.9 488 474 B 23 VAL H B 24 ASN H 1.0 1.8 5.0 489 475 B 23 VAL HB B 24 ASN H 1.0 1.8 5.0 490 476 B 23 VAL HGx% B 24 ASN H 1.0 1.8 5.0 491 477 B 25 GLN HBx B 23 VAL HGx% 1.0 1.8 4.0 492 478 B 25 GLN H B 23 VAL HGx% 1.0 1.8 4.0 493 479 B 24 ASN HBy B 24 ASN H 1.0 1.8 3.5 494 480 B 24 ASN HA B 24 ASN HD2x 1.0 1.8 5.0 495 481 B 24 ASN HBy B 24 ASN HD2x 1.0 1.8 4.0 496 482 B 24 ASN HBx B 24 ASN HD2x 1.0 1.8 4.0 497 483 B 24 ASN HBx B 24 ASN H 1.0 1.8 5.0 498 484 B 24 ASN HBy B 24 ASN HD2y 1.0 1.8 3.6 499 485 B 24 ASN HA B 25 GLN H 1.0 1.8 4.0 500 486 B 24 ASN HBx B 25 GLN H 1.0 1.8 4.3 501 487 B 25 GLN H B 24 ASN H 1.0 1.8 5.0 502 488 B 24 ASN HBy B 25 GLN H 1.0 1.8 5.0 503 489 B 25 GLN HA B 25 GLN HGy 1.0 1.8 4.5 504 490 B 25 GLN HA B 25 GLN HGx 1.0 1.8 3.3 505 491 B 25 GLN HBx B 25 GLN H 1.0 1.8 4.3 506 492 B 25 GLN HBy B 25 GLN H 1.0 1.8 4.0 507 493 B 25 GLN H B 25 GLN HGy 1.0 1.8 5.0 508 494 B 25 GLN H B 25 GLN HGx 1.0 1.8 4.5 509 495 B 25 GLN HBy B 25 GLN HE2y 1.0 1.8 5.0 510 496 B 25 GLN HGx B 25 GLN HE2y 1.0 1.8 4.5 511 497 B 25 GLN HGy B 25 GLN HE2y 1.0 1.8 4.5 512 498 B 25 GLN HBx B 25 GLN HE2x 1.0 1.8 4.0 513 499 B 25 GLN HBx B 25 GLN HE2y 1.0 1.8 3.3 514 500 B 25 GLN HBy B 25 GLN HE2x 1.0 1.8 5.0 515 501 B 25 GLN HGx B 25 GLN HE2x 1.0 1.8 5.0 516 502 B 25 GLN HGy B 25 GLN HE2x 1.0 1.8 4.8 517 503 B 25 GLN HA B 26 HIS H 1.0 1.8 4.0 518 504 B 26 HIS H B 25 GLN HGx 1.0 1.8 5.0 519 505 B 26 HIS H B 25 GLN HGy 1.0 1.8 5.0 520 506 B 25 GLN HBx B 26 HIS H 1.0 1.8 4.0 521 507 B 25 GLN HBy B 27 LEU HDy% 1.0 1.8 5.5 522 508 B 25 GLN HGy B 27 LEU HG 1.0 1.8 6.0 523 509 B 26 HIS HBy B 26 HIS HA 1.0 1.8 3.3 524 510 B 26 HIS HBx B 26 HIS HA 1.0 1.8 3.8 525 511 B 26 HIS HA B 26 HIS H 1.0 1.8 3.0 526 512 B 26 HIS HBy B 26 HIS H 1.0 1.8 3.5 527 513 B 26 HIS HBx B 26 HIS H 1.0 1.8 3.3 528 514 B 26 HIS HBx B 26 HIS HD2 1.0 1.8 3.5 529 515 B 26 HIS HD2 B 26 HIS H 1.0 1.8 4.2 530 516 B 26 HIS HE1 B 26 HIS H 1.0 1.8 5.5 531 517 B 26 HIS HA B 26 HIS HD2 1.0 1.8 3.8 532 518 B 27 LEU H B 26 HIS HA 1.0 1.8 4.0 533 519 B 27 LEU H B 26 HIS HBy 1.0 1.8 4.0 534 520 B 27 LEU H B 26 HIS HBx 1.0 1.8 4.5 535 521 B 27 LEU H B 27 LEU HA 1.0 1.8 3.0 536 522 B 27 LEU HA B 27 LEU HDx% 1.0 1.8 4.8 537 523 B 27 LEU HDy% B 27 LEU HA 1.0 1.8 3.2 538 524 B 27 LEU HDy% B 27 LEU HBy 1.0 1.8 3.2 539 525 B 27 LEU HDy% B 27 LEU HBx 1.0 1.8 4.0 540 526 B 27 LEU HDx% B 27 LEU HBx 1.0 1.8 3.2 541 527 B 27 LEU HDx% B 27 LEU HBy 1.0 1.8 3.8 542 528 B 27 LEU HG B 27 LEU HA 1.0 1.8 5.0 543 529 B 27 LEU H B 27 LEU HDx% 1.0 1.8 4.0 544 530 B 27 LEU H B 27 LEU HBx 1.0 1.8 3.5 545 531 B 27 LEU H B 27 LEU HBy 1.0 1.8 3.5 546 532 B 27 LEU H B 27 LEU HDy% 1.0 1.8 4.0 547 533 B 27 LEU H B 27 LEU HG 1.0 1.8 3.5 548 534 B 28 CYS HBy B 27 LEU HA 1.0 1.8 5.0 549 535 B 27 LEU HA B 28 CYS H 1.0 1.8 4.0 550 536 B 27 LEU HBx B 28 CYS H 1.0 1.8 3.5 551 537 B 27 LEU HDx% B 28 CYS H 1.0 1.8 6.0 552 538 B 27 LEU HDy% B 31 ASP HA 1.0 1.8 5.8 553 539 B 27 LEU HDy% B 31 ASP HBy 1.0 1.8 4.0 554 540 B 27 LEU HDy% B 31 ASP HBx 1.0 1.8 4.3 555 541 B 27 LEU HA B 31 ASP HBx 1.0 1.8 4.0 556 542 B 27 LEU HDx% B 31 ASP HBy 1.0 1.8 5.6 557 543 B 27 LEU HA B 31 ASP HBy 1.0 1.8 4.2 558 544 B 32 LEU HA B 27 LEU HBy 1.0 1.8 3.5 559 545 B 32 LEU HDx% B 27 LEU HBy 1.0 1.8 4.2 560 546 B 27 LEU HBx B 32 LEU HBy 1.0 1.8 4.0 561 547 B 32 LEU HA B 27 LEU HBx 1.0 1.8 3.8 562 548 B 32 LEU HDx% B 27 LEU HDx% 1.0 1.8 4.5 563 549 B 32 LEU HA B 27 LEU HDx% 1.0 1.8 4.0 564 550 B 32 LEU HA B 27 LEU HDy% 1.0 1.8 4.3 565 551 B 35 ALA HB% B 27 LEU HDy% 1.0 1.8 6.0 566 552 B 35 ALA HB% B 27 LEU HBy 1.0 1.8 6.0 567 553 B 35 ALA HB% B 27 LEU HDx% 1.0 1.8 3.7 568 554 B 35 ALA H B 27 LEU HDy% 1.0 1.8 6.0 569 555 B 35 ALA H B 27 LEU HBy 1.0 1.8 6.0 570 556 B 28 CYS HBy B 28 CYS HA 1.0 1.8 3.5 571 557 B 28 CYS HBx B 28 CYS HA 1.0 1.8 3.5 572 558 B 28 CYS HBx B 28 CYS H 1.0 1.8 3.8 573 559 B 28 CYS HBx B 29 GLY H 1.0 1.8 5.0 574 560 B 28 CYS HBy B 29 GLY H 1.0 1.8 3.5 575 561 B 28 CYS HA B 29 GLY H 1.0 1.8 3.5 576 562 B 28 CYS H B 31 ASP HBx 1.0 1.8 5.0 577 563 B 28 CYS H B 31 ASP HBy 1.0 1.8 3.5 578 564 B 32 LEU HDx% B 28 CYS H 1.0 1.8 6.5 579 565 B 28 CYS H B 32 LEU HBy 1.0 1.8 4.5 580 566 B 29 GLY H B 29 GLY HAy 1.0 1.8 3.0 581 567 B 29 GLY H B 29 GLY HAx 1.0 1.8 3.5 582 568 B 29 GLY HAy B 30 SER H 1.0 1.8 4.0 583 569 B 29 GLY HAx B 30 SER H 1.0 1.8 2.9 584 570 B 29 GLY HAy B 31 ASP H 1.0 1.8 4.0 585 571 B 29 GLY HAx B 31 ASP H 1.0 1.8 4.5 586 572 B 30 SER H B 30 SER HBy 1.0 1.8 4.0 587 573 B 30 SER H B 30 SER HBx 1.0 1.8 3.3 588 574 B 31 ASP H B 30 SER HA 1.0 1.8 4.0 589 575 B 31 ASP H B 30 SER HBy 1.0 1.8 5.0 590 576 B 30 SER H B 31 ASP H 1.0 1.8 4.0 591 577 B 31 ASP H B 30 SER HBx 1.0 1.8 5.0 592 578 B 30 SER HA B 33 VAL HB 1.0 1.8 3.3 593 579 B 30 SER HA B 33 VAL HGx% 1.0 1.8 5.0 594 580 B 30 SER HA B 33 VAL HGy% 1.0 1.8 3.8 595 581 B 30 SER HA B 33 VAL H 1.0 1.8 3.5 596 582 B 30 SER HBy B 33 VAL HGy% 1.0 1.8 5.0 597 583 B 30 SER HBy B 33 VAL HGx% 1.0 1.8 5.2 598 584 B 31 ASP HA B 31 ASP H 1.0 1.8 3.8 599 585 B 31 ASP HA B 31 ASP HBy 1.0 1.8 4.0 600 586 B 31 ASP HA B 31 ASP HBx 1.0 1.8 3.3 601 587 B 31 ASP HBy B 31 ASP H 1.0 1.8 5.0 602 588 B 31 ASP HBx B 31 ASP H 1.0 2.8 4.8 603 589 B 32 LEU HA B 31 ASP HBy 1.0 1.8 5.0 604 590 B 32 LEU HA B 31 ASP H 1.0 1.8 6.5 605 591 B 31 ASP HA B 32 LEU H 1.0 1.8 4.0 606 592 B 31 ASP HBy B 32 LEU H 1.0 2.8 5.0 607 593 B 31 ASP H B 32 LEU H 1.0 1.8 4.0 608 594 B 31 ASP H B 33 VAL H 1.0 1.8 4.4 609 595 B 31 ASP HA B 34 GLU H 1.0 1.8 4.0 610 596 B 35 ALA H B 31 ASP HA 1.0 1.8 6.0 611 597 B 32 LEU HA B 32 LEU HG 1.0 1.8 3.8 612 598 B 32 LEU HDy% B 32 LEU HA 1.0 1.8 4.5 613 599 B 32 LEU HDx% B 32 LEU HA 1.0 1.8 3.5 614 600 B 32 LEU HDx% B 32 LEU HBy 1.0 1.8 4.0 615 601 B 32 LEU HDy% B 32 LEU HBy 1.0 1.8 3.0 616 602 B 32 LEU HDx% B 32 LEU HBx 1.0 1.8 3.5 617 603 B 32 LEU HDy% B 32 LEU HBx 1.0 1.8 4.0 618 604 B 32 LEU H B 32 LEU HBx 1.0 1.8 3.3 619 605 B 32 LEU HBy B 32 LEU H 1.0 1.8 3.3 620 606 B 32 LEU HDx% B 32 LEU H 1.0 1.8 5.2 621 607 B 32 LEU HBy B 33 VAL HGy% 1.0 1.8 4.5 622 608 B 33 VAL H B 32 LEU HG 1.0 1.8 5.0 623 609 B 32 LEU HBy B 33 VAL H 1.0 1.8 5.0 624 610 B 33 VAL H B 32 LEU HBx 1.0 1.8 6.5 625 611 B 32 LEU HA B 33 VAL H 1.0 1.8 4.0 626 612 B 33 VAL H B 32 LEU H 1.0 1.8 3.3 627 613 B 32 LEU HDx% B 33 VAL H 1.0 1.8 5.0 628 614 B 32 LEU HDy% B 33 VAL H 1.0 1.8 5.0 629 615 B 32 LEU HA B 35 ALA HB% 1.0 1.8 4.0 630 616 B 32 LEU HA B 35 ALA H 1.0 1.8 4.0 631 617 B 32 LEU HDx% B 36 LEU HDx% 1.0 1.8 5.0 632 618 B 36 LEU HDx% B 32 LEU HG 1.0 1.8 4.5 633 619 B 32 LEU HDy% B 36 LEU HDx% 1.0 1.8 6.0 634 620 B 32 LEU HDx% B 36 LEU H 1.0 1.8 5.0 635 621 B 32 LEU HDy% B 47 TYR HDx 1.0 1.8 4.5 636 622 B 32 LEU HDy% B 47 TYR HEx 1.0 1.8 3.5 637 623 B 47 TYR HEx B 32 LEU HG 1.0 1.8 3.5 638 624 B 47 TYR HEx B 32 LEU HBy 1.0 1.8 5.0 639 625 B 33 VAL HGx% B 33 VAL HA 1.0 1.8 3.3 640 626 B 33 VAL HGy% B 33 VAL HA 1.0 1.8 3.3 641 627 B 33 VAL HB B 33 VAL HA 1.0 1.8 4.0 642 628 B 33 VAL HGx% B 33 VAL H 1.0 1.8 4.4 643 629 B 33 VAL HGy% B 33 VAL H 1.0 1.8 5.0 644 630 B 33 VAL HB B 33 VAL H 1.0 1.8 3.3 645 631 B 33 VAL H B 33 VAL HA 1.0 1.8 3.3 646 632 B 33 VAL HGx% B 34 GLU HBy 1.0 1.8 5.6 647 632 B 33 VAL HGx% B 34 GLU HBx 1.0 1.8 5.6 648 633 B 33 VAL HGx% B 34 GLU H 1.0 1.8 6.0 649 634 B 33 VAL HGy% B 34 GLU H 1.0 1.8 5.0 650 635 B 34 GLU H B 33 VAL HA 1.0 1.8 4.0 651 636 B 33 VAL HB B 34 GLU H 1.0 1.8 4.0 652 637 B 33 VAL H B 34 GLU H 1.0 1.8 4.0 653 638 B 35 ALA H B 33 VAL HA 1.0 1.8 5.0 654 639 B 36 LEU HDx% B 33 VAL HA 1.0 1.8 5.0 655 640 B 33 VAL HA B 36 LEU HBy 1.0 1.8 5.0 656 641 B 33 VAL HA B 36 LEU HBx 1.0 1.8 3.3 657 642 B 36 LEU HG B 33 VAL HA 1.0 1.8 5.0 658 643 B 36 LEU HDx% B 33 VAL HGy% 1.0 1.8 6.0 659 644 B 36 LEU H B 33 VAL HA 1.0 1.8 4.0 660 645 B 33 VAL HGx% B 37 TYR HDx 1.0 1.8 5.5 661 646 B 33 VAL HGx% B 37 TYR HBy 1.0 1.8 4.8 662 647 B 33 VAL HGx% B 37 TYR HBx 1.0 1.8 4.0 663 648 B 33 VAL HGx% B 37 TYR H 1.0 1.8 4.5 664 649 B 33 VAL HA B 37 TYR H 1.0 1.8 4.0 665 650 B 33 VAL HGy% B 45 TYR HEx 1.0 1.8 5.0 666 651 B 33 VAL HGx% B 45 TYR HEx 1.0 1.8 4.0 667 652 B 33 VAL HA B 45 TYR HEx 1.0 1.8 4.0 668 653 B 33 VAL HGx% B 45 TYR HDx 1.0 1.8 5.8 669 654 B 47 TYR HEx B 33 VAL HGy% 1.0 2.8 5.0 670 655 B 47 TYR HEx B 33 VAL HA 1.0 1.8 5.3 671 656 B 47 TYR HDx B 33 VAL HGy% 1.0 1.8 4.6 672 657 B 34 GLU HGx B 34 GLU HA 1.0 1.8 4.0 673 658 B 34 GLU HA B 34 GLU HGy 1.0 1.8 3.5 674 659 B 34 GLU H B 34 GLU HBy 1.0 1.8 3.4 675 660 B 34 GLU H B 34 GLU HBx 1.0 1.8 4.0 676 661 B 34 GLU H B 34 GLU HGy 1.0 1.8 3.8 677 662 B 35 ALA HB% B 34 GLU HBy 1.0 1.8 5.5 678 663 B 35 ALA H B 34 GLU HA 1.0 1.8 4.0 679 664 B 35 ALA H B 34 GLU HGy 1.0 1.8 5.0 680 665 B 35 ALA H B 34 GLU HGx 1.0 1.8 5.0 681 666 B 35 ALA H B 34 GLU HBy 1.0 1.8 4.0 682 667 B 35 ALA H B 34 GLU HBx 1.0 1.8 4.0 683 668 B 35 ALA HB% B 34 GLU H 1.0 1.8 5.5 684 669 B 35 ALA H B 34 GLU H 1.0 1.8 3.3 685 670 B 36 LEU H B 34 GLU HA 1.0 1.8 5.0 686 671 B 36 LEU H B 34 GLU HBy 1.0 1.8 5.8 687 672 B 34 GLU HA B 37 TYR HDy 1.0 1.8 5.0 688 673 B 37 TYR HBx B 34 GLU HBy 1.0 1.8 6.0 689 674 B 34 GLU HBx B 37 TYR HBx 1.0 1.8 5.5 690 675 B 37 TYR HBx B 34 GLU HA 1.0 1.8 4.0 691 676 B 37 TYR HBy B 34 GLU HA 1.0 1.8 4.0 692 677 B 37 TYR HBx B 34 GLU HA 1.0 1.8 4.0 693 678 B 37 TYR H B 34 GLU HA 1.0 1.8 4.0 694 679 B 37 TYR H B 34 GLU HBy 1.0 2.8 6.0 695 680 B 34 GLU HBx B 37 TYR H 1.0 1.8 5.5 696 681 B 35 ALA HB% B 35 ALA H 1.0 1.8 3.4 697 682 B 35 ALA HB% B 36 LEU H 1.0 1.8 3.8 698 683 B 36 LEU H B 35 ALA HA 1.0 1.8 3.8 699 684 B 35 ALA H B 36 LEU H 1.0 1.8 3.3 700 685 B 37 TYR HBx B 35 ALA HA 1.0 1.8 6.0 701 686 B 37 TYR H B 35 ALA HA 1.0 1.8 6.0 702 687 B 38 LEU HDy% B 35 ALA HA 1.0 1.8 3.8 703 688 B 35 ALA HA B 38 LEU HBx 1.0 1.8 2.7 704 689 B 35 ALA HA B 38 LEU HBy 1.0 1.8 4.0 705 690 B 35 ALA HA B 38 LEU HDx% 1.0 1.8 5.0 706 691 B 35 ALA HA B 38 LEU H 1.0 1.8 3.5 707 692 B 39 VAL HGy% B 35 ALA HB% 1.0 1.8 5.2 708 693 B 35 ALA HB% B 39 VAL H 1.0 1.8 5.0 709 694 B 35 ALA HA B 39 VAL H 1.0 1.8 4.0 710 695 B 36 LEU HDy% B 36 LEU HBx 1.0 1.8 3.8 711 696 B 36 LEU HDx% B 36 LEU HBx 1.0 1.8 3.2 712 697 B 36 LEU HDy% B 36 LEU HBy 1.0 1.8 3.8 713 698 B 36 LEU HDx% B 36 LEU HBy 1.0 1.8 3.2 714 699 B 36 LEU HG B 36 LEU HA 1.0 1.8 3.3 715 700 B 36 LEU HDy% B 36 LEU HA 1.0 1.8 3.2 716 701 B 36 LEU HDx% B 36 LEU HA 1.0 1.8 4.5 717 702 B 36 LEU HDy% B 36 LEU H 1.0 1.8 4.2 718 703 B 36 LEU HDx% B 36 LEU H 1.0 1.8 3.8 719 704 B 36 LEU HG B 36 LEU H 1.0 1.8 3.3 720 705 B 36 LEU H B 36 LEU HBy 1.0 1.8 3.8 721 706 B 36 LEU HA B 37 TYR H 1.0 1.8 4.0 722 707 B 36 LEU HBx B 37 TYR H 1.0 1.8 3.0 723 708 B 36 LEU HBy B 37 TYR H 1.0 1.8 4.0 724 709 B 36 LEU HG B 37 TYR H 1.0 1.8 5.5 725 710 B 36 LEU H B 37 TYR H 1.0 1.8 4.0 726 711 B 36 LEU HA B 38 LEU H 1.0 1.8 3.7 727 712 B 36 LEU HA B 39 VAL HB 1.0 1.8 3.7 728 713 B 39 VAL HGx% B 36 LEU HA 1.0 1.8 5.0 729 714 B 39 VAL HGy% B 36 LEU HA 1.0 1.8 3.8 730 715 B 36 LEU HA B 39 VAL H 1.0 1.8 4.0 731 716 B 36 LEU HDy% B 39 VAL HGy% 1.0 1.8 5.8 732 717 B 36 LEU HDy% B 39 VAL HB 1.0 1.8 4.8 733 718 B 36 LEU HDy% B 39 VAL HGx% 1.0 1.8 6.0 734 719 B 36 LEU HA B 40 CYS H 1.0 1.8 4.0 735 720 B 45 TYR HBx B 36 LEU HBy 1.0 1.8 4.2 736 721 B 45 TYR HBy B 36 LEU HBx 1.0 1.8 5.0 737 722 B 36 LEU HDx% B 45 TYR HBx 1.0 1.8 5.0 738 723 B 36 LEU HDx% B 45 TYR HBy 1.0 1.8 4.5 739 724 B 36 LEU HDy% B 45 TYR HBx 1.0 1.8 4.5 740 725 B 36 LEU HDy% B 45 TYR HBy 1.0 1.8 4.5 741 726 B 36 LEU HDx% B 45 TYR HDx 1.0 1.8 3.5 742 727 B 36 LEU HDx% B 45 TYR HEx 1.0 1.8 4.2 743 728 B 36 LEU HDy% B 45 TYR HDx 1.0 1.8 5.5 744 729 B 36 LEU HDy% B 45 TYR HEx 1.0 1.8 6.0 745 730 B 36 LEU HDx% B 46 PHE H 1.0 1.8 5.3 746 731 B 36 LEU HDy% B 46 PHE H 1.0 1.8 5.6 747 732 B 36 LEU HDx% B 47 TYR HA 1.0 1.8 5.5 748 733 B 36 LEU HDx% B 47 TYR HBy 1.0 1.8 6.0 749 734 B 36 LEU HDx% B 47 TYR HBx 1.0 1.8 4.5 750 735 B 36 LEU HDx% B 47 TYR HDx 1.0 1.8 3.8 751 736 B 36 LEU HDx% B 47 TYR HEx 1.0 1.8 5.5 752 737 B 36 LEU HG B 47 TYR HDx 1.0 1.8 5.5 753 738 B 37 TYR HBy B 37 TYR HA 1.0 1.8 4.0 754 739 B 37 TYR HBx B 37 TYR HA 1.0 1.8 3.0 755 740 B 37 TYR HDx B 37 TYR HA 1.0 1.8 3.7 756 741 B 37 TYR HA B 37 TYR HEx 1.0 1.8 5.0 757 742 B 37 TYR HBy B 37 TYR H 1.0 1.8 3.3 758 743 B 37 TYR HBx B 37 TYR H 1.0 1.8 3.3 759 744 B 37 TYR HBy B 37 TYR HDy 1.0 1.8 3.3 760 745 B 37 TYR HBy B 37 TYR HEy 1.0 1.8 5.0 761 746 B 37 TYR HDx B 37 TYR HBx 1.0 1.8 3.3 762 747 B 37 TYR HBx B 37 TYR HEx 1.0 1.8 5.0 763 748 B 37 TYR HDx B 37 TYR H 1.0 1.8 4.5 764 749 B 37 TYR HDy B 38 LEU HA 1.0 1.8 4.0 765 750 B 37 TYR HBy B 38 LEU H 1.0 1.8 3.2 766 751 B 37 TYR HBx B 38 LEU H 1.0 1.8 4.0 767 752 B 38 LEU H B 37 TYR HA 1.0 1.8 3.5 768 753 B 37 TYR H B 38 LEU H 1.0 1.8 2.9 769 754 B 40 CYS H B 37 TYR HA 1.0 1.8 4.3 770 755 B 37 TYR HA B 41 GLY H 1.0 1.8 3.5 771 756 B 37 TYR HBx B 45 TYR HEy 1.0 1.8 4.0 772 757 B 37 TYR HA B 45 TYR HDy 1.0 1.8 4.0 773 758 B 37 TYR HA B 45 TYR HEy 1.0 1.8 3.5 774 759 B 38 LEU HDy% B 38 LEU HA 1.0 1.8 5.0 775 760 B 38 LEU HDy% B 38 LEU HBx 1.0 1.8 3.2 776 761 B 38 LEU HDy% B 38 LEU HBy 1.0 1.8 3.2 777 762 B 38 LEU HBx B 38 LEU HDx% 1.0 1.8 3.5 778 763 B 38 LEU HBy B 38 LEU HDx% 1.0 1.8 3.2 779 764 B 38 LEU HA B 38 LEU HG 1.0 1.8 3.3 780 765 B 38 LEU HDx% B 38 LEU HA 1.0 1.8 3.2 781 766 B 38 LEU HBx B 38 LEU H 1.0 1.8 2.9 782 767 B 38 LEU H B 38 LEU HG 1.0 1.8 4.5 783 768 B 38 LEU HBy B 38 LEU H 1.0 1.8 3.2 784 769 B 38 LEU HDx% B 38 LEU H 1.0 1.8 5.0 785 770 B 38 LEU HDy% B 38 LEU H 1.0 1.8 5.0 786 771 B 39 VAL HGy% B 38 LEU HBx 1.0 1.8 4.5 787 772 B 39 VAL H B 38 LEU HA 1.0 1.8 5.0 788 773 B 38 LEU HDy% B 39 VAL H 1.0 1.8 6.0 789 774 B 38 LEU HBx B 39 VAL H 1.0 1.8 4.0 790 775 B 38 LEU HBy B 39 VAL H 1.0 1.8 4.0 791 776 B 39 VAL H B 38 LEU HG 1.0 1.8 5.0 792 777 B 38 LEU H B 39 VAL H 1.0 1.8 4.0 793 778 B 38 LEU HBy B 40 CYS H 1.0 1.8 6.0 794 779 B 38 LEU HA B 41 GLY H 1.0 1.8 5.0 795 780 B 39 VAL HGx% B 39 VAL HA 1.0 1.8 3.0 796 781 B 39 VAL HGy% B 39 VAL HA 1.0 1.8 3.0 797 782 B 39 VAL HA B 39 VAL H 1.0 1.8 2.9 798 783 B 39 VAL HB B 39 VAL H 1.0 1.8 2.8 799 784 B 39 VAL HGy% B 39 VAL H 1.0 1.8 3.0 800 785 B 39 VAL HGx% B 39 VAL H 1.0 1.8 4.5 801 786 B 39 VAL HA B 40 CYS H 1.0 1.8 3.5 802 787 B 39 VAL HB B 40 CYS H 1.0 1.8 3.0 803 788 B 39 VAL HGx% B 40 CYS HA 1.0 1.8 5.0 804 789 B 39 VAL HGx% B 40 CYS H 1.0 1.8 4.0 805 790 B 39 VAL HGy% B 40 CYS H 1.0 1.8 5.0 806 791 B 39 VAL H B 40 CYS H 1.0 1.8 4.0 807 792 B 39 VAL HA B 41 GLY H 1.0 1.8 5.0 808 793 B 39 VAL HB B 41 GLY H 1.0 1.8 5.5 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 B 40 CYS HA B 40 CYS HBx 1.0 1.8 3.1 2 2 B 40 CYS HBy B 40 CYS HA 1.0 1.8 2.9 3 3 B 40 CYS HBy B 40 CYS H 1.0 1.8 3.3 4 4 B 40 CYS H B 40 CYS HBx 1.0 1.8 4.0 5 5 B 40 CYS HBy B 41 GLY H 1.0 1.8 4.0 6 6 B 41 GLY H B 40 CYS HBx 1.0 1.8 3.0 7 7 B 40 CYS H B 41 GLY H 1.0 1.8 4.0 8 8 B 40 CYS H B 41 GLY HAx 1.0 1.8 5.5 9 9 B 41 GLY H B 40 CYS HA 1.0 1.8 4.0 10 10 B 45 TYR HDy B 40 CYS HBx 1.0 1.8 3.5 11 11 B 40 CYS HBy B 45 TYR HDy 1.0 1.8 4.0 12 12 B 45 TYR HBy B 40 CYS HBy 1.0 1.8 5.0 13 13 B 45 TYR HBx B 40 CYS HBx 1.0 1.8 4.0 14 14 B 45 TYR HBx B 40 CYS HBy 1.0 1.8 3.0 15 15 B 41 GLY H B 42 GLU H 1.0 1.8 5.0 16 16 B 41 GLY HAx B 42 GLU H 1.0 1.8 3.5 17 17 B 42 GLU H B 41 GLY HAy 1.0 1.8 3.3 18 18 B 41 GLY H B 45 TYR HDy 1.0 1.8 5.0 19 19 B 42 GLU HA B 42 GLU HBy 1.0 1.8 3.1 20 20 B 42 GLU HA B 42 GLU HBx 1.0 1.8 2.9 21 21 B 42 GLU HA B 42 GLU HGx 1.0 1.8 3.8 22 21 B 42 GLU HA B 42 GLU HGy 1.0 1.8 3.8 23 22 B 42 GLU H B 42 GLU HBx 1.0 1.8 3.8 24 23 B 42 GLU H B 42 GLU HBy 1.0 1.8 3.8 25 24 B 42 GLU H B 42 GLU HGx 1.0 1.8 4.2 26 24 B 42 GLU H B 42 GLU HGy 1.0 1.8 4.2 27 25 B 42 GLU HA B 43 ARG H 1.0 1.8 3.3 28 26 B 42 GLU H B 43 ARG H 1.0 1.8 4.0 29 27 B 43 ARG H B 42 GLU HGx 1.0 1.8 5.0 30 27 B 42 GLU HGy B 43 ARG H 1.0 1.8 5.0 31 28 B 42 GLU HBx B 43 ARG H 1.0 1.8 5.0 32 29 B 42 GLU HBy B 43 ARG H 1.0 1.8 5.0 33 30 B 43 ARG HBy B 43 ARG HDx 1.0 1.8 3.5 34 31 B 43 ARG HA B 43 ARG HGy 1.0 1.8 3.2 35 31 B 43 ARG HGx B 43 ARG HA 1.0 1.8 3.2 36 32 B 43 ARG HDx B 43 ARG HBx 1.0 1.8 3.3 37 33 B 43 ARG HDy B 43 ARG HBy 1.0 1.8 3.5 38 34 B 43 ARG HBx B 43 ARG HE 1.0 1.8 4.5 39 35 B 43 ARG HBy B 43 ARG HE 1.0 1.8 4.3 40 36 B 43 ARG HE B 43 ARG HGy 1.0 1.8 3.5 41 37 B 43 ARG HGx B 43 ARG HE 1.0 1.8 3.3 42 38 B 43 ARG HA B 44 GLY H 1.0 1.8 3.3 43 39 B 44 GLY HAx B 43 ARG H 1.0 1.8 5.5 44 40 B 43 ARG H B 44 GLY HAy 1.0 1.8 5.5 45 41 B 43 ARG HBx B 44 GLY H 1.0 1.8 4.5 46 42 B 43 ARG HBy B 44 GLY H 1.0 1.8 4.5 47 43 B 44 GLY H B 43 ARG HGy 1.0 1.8 5.5 48 43 B 43 ARG HGx B 44 GLY H 1.0 1.8 5.5 49 44 B 44 GLY HAx B 43 ARG HBx 1.0 1.8 5.5 50 45 B 43 ARG HBx B 44 GLY HAy 1.0 1.8 5.5 51 46 B 43 ARG HBy B 44 GLY HAx 1.0 1.8 5.5 52 47 B 43 ARG HBy B 44 GLY HAy 1.0 1.8 5.5 53 48 B 44 GLY HAx B 44 GLY H 1.0 1.8 3.4 54 49 B 44 GLY H B 44 GLY HAy 1.0 1.8 3.4 55 50 B 44 GLY HAy B 45 TYR H 1.0 1.8 3.4 56 51 B 44 GLY HAx B 45 TYR H 1.0 1.8 3.4 57 52 B 44 GLY H B 45 TYR H 1.0 1.8 4.0 58 53 B 45 TYR HDy B 44 GLY HAy 1.0 1.8 5.0 59 54 B 45 TYR HA B 45 TYR HBx 1.0 1.8 2.9 60 55 B 45 TYR HA B 45 TYR HBy 1.0 1.8 2.9 61 56 B 45 TYR HA B 45 TYR H 1.0 1.8 3.0 62 57 B 45 TYR HDy B 45 TYR H 1.0 1.8 3.3 63 58 B 45 TYR HBy B 45 TYR H 1.0 1.8 3.8 64 59 B 45 TYR HBx B 45 TYR H 1.0 1.8 3.3 65 60 B 45 TYR HBy B 45 TYR HDy 1.0 1.8 3.5 66 61 B 45 TYR HBx B 45 TYR HDx 1.0 1.8 3.5 67 62 B 45 TYR HA B 45 TYR HBx 1.0 1.8 2.9 68 63 B 45 TYR HA B 45 TYR HBy 1.0 1.8 2.9 69 64 B 45 TYR HDx B 45 TYR H 1.0 1.8 5.0 70 65 B 45 TYR HDx B 46 PHE HA 1.0 1.8 4.0 71 66 B 46 PHE H B 45 TYR HBy 1.0 1.8 3.3 72 67 B 46 PHE H B 45 TYR HBx 1.0 1.8 4.0 73 68 B 46 PHE H B 45 TYR HA 1.0 1.8 4.0 74 69 B 46 PHE H B 45 TYR H 1.0 1.8 4.3 75 70 B 47 TYR HA B 45 TYR HDx 1.0 1.8 4.0 76 71 B 47 TYR HA B 45 TYR HEx 1.0 1.8 5.2 77 72 B 46 PHE HA B 46 PHE HBy 1.0 1.8 2.9 78 73 B 46 PHE HA B 46 PHE HBx 1.0 1.8 3.3 79 74 B 46 PHE H B 46 PHE HA 1.0 1.8 3.0 80 75 B 46 PHE H B 46 PHE HBx 1.0 1.8 4.0 81 76 B 46 PHE H B 46 PHE HBy 1.0 1.8 3.8 82 77 B 46 PHE H B 46 PHE HDx 1.0 1.8 4.0 83 78 B 46 PHE HA B 46 PHE HDy 1.0 1.8 3.8 84 79 B 46 PHE HBy B 46 PHE HDy 1.0 1.8 3.8 85 80 B 46 PHE HBx B 46 PHE HDx 1.0 1.8 3.8 86 81 B 46 PHE HA B 47 TYR H 1.0 1.8 2.8 87 82 B 46 PHE HBy B 47 TYR H 1.0 1.8 4.5 88 83 B 46 PHE HBx B 47 TYR H 1.0 1.8 4.0 89 84 B 47 TYR HA B 47 TYR HBy 1.0 1.8 3.3 90 85 B 47 TYR HA B 47 TYR HBx 1.0 1.8 2.9 91 86 B 47 TYR HA B 47 TYR H 1.0 1.8 3.0 92 87 B 47 TYR HBy B 47 TYR H 1.0 1.8 2.9 93 88 B 47 TYR HBx B 47 TYR H 1.0 1.8 3.3 94 89 B 47 TYR HDx B 47 TYR HA 1.0 1.8 2.8 95 90 B 47 TYR HBy B 47 TYR HDy 1.0 1.8 2.9 96 91 B 47 TYR HDx B 47 TYR HBx 1.0 1.8 2.9 97 92 B 47 TYR HA B 48 THR H 1.0 1.8 2.7 98 93 B 47 TYR HBy B 48 THR H 1.0 1.8 4.5 99 94 B 47 TYR HBx B 48 THR H 1.0 1.8 4.5 100 95 B 47 TYR HDy B 48 THR H 1.0 1.8 4.5 101 96 B 47 TYR HA B 48 THR HG2% 1.0 1.8 5.5 102 97 B 47 TYR HEy B 48 THR HA 1.0 1.8 6.0 103 98 B 47 TYR HDy B 48 THR HA 1.0 1.8 5.0 104 99 B 48 THR H B 48 THR HA 1.0 1.8 3.5 105 100 B 48 THR H B 48 THR HG2% 1.0 1.8 3.5 106 101 B 48 THR H B 48 THR HB 1.0 1.8 3.8 107 102 B 48 THR HA B 49 LYS H 1.0 1.8 4.0 108 103 B 48 THR HG2% B 49 LYS H 1.0 1.8 5.0 109 104 B 48 THR H B 49 LYS H 1.0 1.8 4.2 110 105 B 48 THR HB B 49 LYS H 1.0 1.8 4.5 111 106 B 48 THR HA B 50 PRO HDy 1.0 1.8 4.2 112 107 B 48 THR HA B 50 PRO HDx 1.0 1.8 4.0 113 108 B 49 LYS H B 49 LYS HBx 1.0 1.8 3.8 114 109 B 49 LYS H B 49 LYS HBy 1.0 1.8 3.8 115 110 B 49 LYS H B 49 LYS HGx 1.0 1.8 5.0 116 110 B 49 LYS H B 49 LYS HGy 1.0 1.8 5.0 117 111 B 49 LYS HA B 50 PRO HBy 1.0 1.8 5.0 118 112 B 49 LYS HA B 50 PRO HGx 1.0 1.8 4.0 119 113 B 50 PRO HDy B 49 LYS HA 1.0 1.8 4.0 120 114 B 50 PRO HDx B 49 LYS HA 1.0 1.8 4.3 121 115 B 50 PRO HDy B 49 LYS HBx 1.0 1.8 4.5 122 116 B 50 PRO HDy B 49 LYS HBy 1.0 1.8 5.0 123 117 B 50 PRO HDy B 49 LYS HGx 1.0 1.8 5.0 124 117 B 50 PRO HDy B 49 LYS HGy 1.0 1.8 5.0 125 118 B 50 PRO HDx B 50 PRO HBx 1.0 1.8 3.3 126 119 B 50 PRO HDy B 50 PRO HBx 1.0 1.8 5.0 127 120 B 50 PRO HA B 51 THR H 1.0 1.8 4.0 128 121 B 51 THR H B 51 THR HA 1.0 1.8 3.5 129 122 B 51 THR H B 51 THR HB 1.0 1.8 4.0 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 B 38 LEU H B 34 GLU O 1.0 1.8 2.7 2 2 B 34 GLU O B 38 LEU N 1.0 1.8 3.3 3 3 B 39 VAL H B 35 ALA O 1.0 1.8 2.7 4 4 B 35 ALA O B 39 VAL N 1.0 1.8 3.3 5 5 B 40 CYS H B 36 LEU O 1.0 1.8 2.7 6 6 B 36 LEU O B 40 CYS N 1.0 1.8 3.3 7 7 B 41 GLY H B 37 TYR O 1.0 1.8 2.7 8 8 B 37 TYR O B 41 GLY N 1.0 1.8 3.3 9 9 B 43 ARG H B 40 CYS O 1.0 1.8 2.7 10 10 B 40 CYS O B 43 ARG N 1.0 1.8 3.3 stop_ save_ save_CNS/XPLOR_dihedral_5 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_5 _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 ILE N A 2 ILE CA A 2 ILE C 1.0 -82.0 -42.0 PHI 2 2 A 2 ILE N A 2 ILE CA A 2 ILE C A 3 VAL N 1.0 -67.0 -7.0 PSI 3 3 A 2 ILE C A 3 VAL N A 3 VAL CA A 3 VAL C 1.0 -83.7 -43.7 PHI 4 4 A 3 VAL N A 3 VAL CA A 3 VAL C A 4 GLU N 1.0 -60.8 -20.8 PSI 5 5 A 3 VAL C A 4 GLU N A 4 GLU CA A 4 GLU C 1.0 -84.3 -44.3 PHI 6 6 A 4 GLU N A 4 GLU CA A 4 GLU C A 5 GLN N 1.0 -60.9 -20.9 PSI 7 7 A 4 GLU C A 5 GLN N A 5 GLN CA A 5 GLN C 1.0 -90.5 -47.3 PHI 8 8 A 5 GLN N A 5 GLN CA A 5 GLN C A 6 CYS N 1.0 -57.5 -12.1 PSI 9 9 A 5 GLN C A 6 CYS N A 6 CYS CA A 6 CYS C 1.0 -116.8 -69.2 PHI 10 10 A 6 CYS N A 6 CYS CA A 6 CYS C A 7 CYS N 1.0 -29.7 46.7 PSI 11 11 A 7 CYS C A 8 THR N A 8 THR CA A 8 THR C 1.0 -91.0 -47.0 PHI 12 12 A 8 THR N A 8 THR CA A 8 THR C A 9 SER N 1.0 -59.0 25.0 PSI 13 13 A 9 SER C A 10 ILE N A 10 ILE CA A 10 ILE C 1.0 -181.0 -69.0 PHI 14 14 A 10 ILE N A 10 ILE CA A 10 ILE C A 11 CYS N 1.0 106.0 178.0 PSI 15 15 A 10 ILE C A 11 CYS N A 11 CYS CA A 11 CYS C 1.0 -169.5 -69.1 PHI 16 16 A 11 CYS N A 11 CYS CA A 11 CYS C A 12 SER N 1.0 114.1 185.5 PSI 17 17 A 11 CYS C A 12 SER N A 12 SER CA A 12 SER C 1.0 -118.2 -55.8 PHI 18 18 A 12 SER N A 12 SER CA A 12 SER C A 13 LEU N 1.0 145.0 185.0 PSI 19 19 A 12 SER C A 13 LEU N A 13 LEU CA A 13 LEU C 1.0 -79.1 -39.1 PHI 20 20 A 13 LEU N A 13 LEU CA A 13 LEU C A 14 TYR N 1.0 -55.6 -15.6 PSI 21 21 A 13 LEU C A 14 TYR N A 14 TYR CA A 14 TYR C 1.0 -83.3 -43.3 PHI 22 22 A 14 TYR N A 14 TYR CA A 14 TYR C A 15 GLN N 1.0 -65.2 -0.6 PSI 23 23 A 14 TYR C A 15 GLN N A 15 GLN CA A 15 GLN C 1.0 -84.6 -44.6 PHI 24 24 A 15 GLN N A 15 GLN CA A 15 GLN C A 16 LEU N 1.0 -59.7 -19.7 PSI 25 25 A 15 GLN C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -83.9 -43.9 PHI 26 26 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 GLU N 1.0 -58.9 -18.9 PSI 27 27 A 16 LEU C A 17 GLU N A 17 GLU CA A 17 GLU C 1.0 -83.5 -43.5 PHI 28 28 A 17 GLU N A 17 GLU CA A 17 GLU C A 18 ASN N 1.0 -55.6 -15.6 PSI 29 29 A 17 GLU C A 18 ASN N A 18 ASN CA A 18 ASN C 1.0 -90.3 -49.7 PHI 30 30 A 18 ASN N A 18 ASN CA A 18 ASN C A 19 TYR N 1.0 -61.5 -12.3 PSI 31 31 A 18 ASN C A 19 TYR N A 19 TYR CA A 19 TYR C 1.0 -109.6 -49.2 PHI 32 32 A 19 TYR N A 19 TYR CA A 19 TYR C A 20 CYS N 1.0 -64.5 1.1 PSI 33 33 A 19 TYR C A 20 CYS N A 20 CYS CA A 20 CYS C 1.0 -136.4 -40.2 PHI 34 34 A 20 CYS N A 20 CYS CA A 20 CYS C A 21 ASN N 1.0 24.4 145.4 PSI 35 35 B 23 VAL C B 24 ASN N B 24 ASN CA B 24 ASN C 1.0 -149.9 -83.7 PHI 36 36 B 24 ASN N B 24 ASN CA B 24 ASN C B 25 GLN N 1.0 33.1 119.3 PSI 37 37 B 24 ASN C B 25 GLN N B 25 GLN CA B 25 GLN C 1.0 -164.0 -116.0 PHI 38 38 B 25 GLN N B 25 GLN CA B 25 GLN C B 26 HIS N 1.0 130.0 186.0 PSI 39 39 B 25 GLN C B 26 HIS N B 26 HIS CA B 26 HIS C 1.0 -99.7 -49.1 PHI 40 40 B 26 HIS N B 26 HIS CA B 26 HIS C B 27 LEU N 1.0 112.2 152.2 PSI 41 41 B 26 HIS C B 27 LEU N B 27 LEU CA B 27 LEU C 1.0 -131.9 -69.3 PHI 42 42 B 27 LEU N B 27 LEU CA B 27 LEU C B 28 CYS N 1.0 113.3 157.3 PSI 43 43 B 27 LEU C B 28 CYS N B 28 CYS CA B 28 CYS C 1.0 -171.9 -85.1 PHI 44 44 B 28 CYS N B 28 CYS CA B 28 CYS C B 29 GLY N 1.0 127.2 181.8 PSI 45 45 B 28 CYS C B 29 GLY N B 29 GLY CA B 29 GLY C 1.0 34.0 74.0 PHI 46 46 B 29 GLY N B 29 GLY CA B 29 GLY C B 30 SER N 1.0 -156.0 -116.0 PSI 47 47 B 29 GLY C B 30 SER N B 30 SER CA B 30 SER C 1.0 -85.2 -38.2 PHI 48 48 B 30 SER N B 30 SER CA B 30 SER C B 31 ASP N 1.0 -69.5 2.1 PSI 49 49 B 30 SER C B 31 ASP N B 31 ASP CA B 31 ASP C 1.0 -98.4 -39.0 PHI 50 50 B 31 ASP N B 31 ASP CA B 31 ASP C B 32 LEU N 1.0 -71.6 -2.2 PSI 51 51 B 31 ASP C B 32 LEU N B 32 LEU CA B 32 LEU C 1.0 -82.3 -42.3 PHI 52 52 B 32 LEU N B 32 LEU CA B 32 LEU C B 33 VAL N 1.0 -63.8 -23.8 PSI 53 53 B 32 LEU C B 33 VAL N B 33 VAL CA B 33 VAL C 1.0 -81.3 -41.3 PHI 54 54 B 33 VAL N B 33 VAL CA B 33 VAL C B 34 GLU N 1.0 -63.7 -23.7 PSI 55 55 B 33 VAL C B 34 GLU N B 34 GLU CA B 34 GLU C 1.0 -81.3 -41.3 PHI 56 56 B 34 GLU N B 34 GLU CA B 34 GLU C B 35 ALA N 1.0 -57.4 -17.4 PSI 57 57 B 34 GLU C B 35 ALA N B 35 ALA CA B 35 ALA C 1.0 -86.4 -46.4 PHI 58 58 B 35 ALA N B 35 ALA CA B 35 ALA C B 36 LEU N 1.0 -59.1 -19.1 PSI 59 59 B 35 ALA C B 36 LEU N B 36 LEU CA B 36 LEU C 1.0 -85.8 -45.8 PHI 60 60 B 36 LEU N B 36 LEU CA B 36 LEU C B 37 TYR N 1.0 -58.6 -18.6 PSI 61 61 B 36 LEU C B 37 TYR N B 37 TYR CA B 37 TYR C 1.0 -85.6 -45.6 PHI 62 62 B 37 TYR N B 37 TYR CA B 37 TYR C B 38 LEU N 1.0 -58.2 -18.2 PSI 63 63 B 37 TYR C B 38 LEU N B 38 LEU CA B 38 LEU C 1.0 -83.6 -43.6 PHI 64 64 B 38 LEU N B 38 LEU CA B 38 LEU C B 39 VAL N 1.0 -62.5 -17.7 PSI 65 65 B 38 LEU C B 39 VAL N B 39 VAL CA B 39 VAL C 1.0 -91.1 -51.1 PHI 66 66 B 39 VAL N B 39 VAL CA B 39 VAL C B 40 CYS N 1.0 -60.0 -16.2 PSI 67 67 B 39 VAL C B 40 CYS N B 40 CYS CA B 40 CYS C 1.0 -111.0 -66.2 PHI 68 68 B 40 CYS N B 40 CYS CA B 40 CYS C B 41 GLY N 1.0 -29.2 31.8 PSI 69 69 B 40 CYS C B 41 GLY N B 41 GLY CA B 41 GLY C 1.0 23.0 95.0 PHI 70 70 B 41 GLY N B 41 GLY CA B 41 GLY C B 42 GLU N 1.0 -162.0 -102.0 PSI 71 71 B 41 GLY C B 42 GLU N B 42 GLU CA B 42 GLU C 1.0 -82.4 -42.4 PHI 72 72 B 42 GLU N B 42 GLU CA B 42 GLU C B 43 ARG N 1.0 -54.3 2.3 PSI 73 73 B 42 GLU C B 43 ARG N B 43 ARG CA B 43 ARG C 1.0 -104.3 -52.5 PHI 74 74 B 43 ARG N B 43 ARG CA B 43 ARG C B 44 GLY N 1.0 -52.2 17.4 PSI 75 75 B 43 ARG C B 44 GLY N B 44 GLY CA B 44 GLY C 1.0 47.0 103.0 PHI 76 76 B 44 GLY C B 45 TYR N B 45 TYR CA B 45 TYR C 1.0 -164.9 -84.9 PHI 77 77 B 45 TYR N B 45 TYR CA B 45 TYR C B 46 PHE N 1.0 96.6 177.0 PSI 78 78 B 45 TYR C B 46 PHE N B 46 PHE CA B 46 PHE C 1.0 -136.7 -96.3 PHI 79 79 B 46 PHE N B 46 PHE CA B 46 PHE C B 47 TYR N 1.0 114.9 166.5 PSI 80 80 B 46 PHE C B 47 TYR N B 47 TYR CA B 47 TYR C 1.0 -129.0 -79.0 PHI 81 81 B 47 TYR N B 47 TYR CA B 47 TYR C B 48 THR N 1.0 110.0 150.0 PSI stop_ save_