data_nef_c15610_2jz8 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 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 27 CYS SG 2 1 ZN ZN 1 38 HIS ND1 2 1 ZN ZN 1 51 CYS SG 2 1 ZN ZN 1 54 CYS SG 2 1 ZN ZN 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 MET start . . 2 A 2 ALA middle . . 3 A 3 ASP middle . . 4 A 4 TYR middle . . 5 A 5 ASN middle . . 6 A 6 ILE middle . . 7 A 7 PRO middle . false 8 A 8 HIS middle . . 9 A 9 PHE middle . . 10 A 10 GLN middle . . 11 A 11 ASN middle . . 12 A 12 ASP middle . . 13 A 13 LEU middle . . 14 A 14 GLY middle . false 15 A 15 TYR middle . . 16 A 16 LYS middle . . 17 A 17 ILE middle . . 18 A 18 ILE middle . . 19 A 19 GLU middle . . 20 A 20 ILE middle . . 21 A 21 GLY middle . false 22 A 22 VAL middle . . 23 A 23 LYS middle . . 24 A 24 GLU middle . . 25 A 25 PHE middle . . 26 A 26 MET middle . . 27 A 27 CYS middle -HG . 28 A 28 VAL middle . . 29 A 29 GLY middle . false 30 A 30 ALA middle . . 31 A 31 THR middle . . 32 A 32 GLN middle . . 33 A 33 PRO middle . false 34 A 34 PHE middle . . 35 A 35 ASP middle . . 36 A 36 HIS middle . . 37 A 37 PRO middle . false 38 A 38 HIS middle -HD1 . 39 A 39 ILE middle . . 40 A 40 PHE middle . . 41 A 41 ILE middle . . 42 A 42 ASP middle . . 43 A 43 MET middle . . 44 A 44 GLY middle . false 45 A 45 SER middle . . 46 A 46 THR middle . . 47 A 47 ASP middle . . 48 A 48 GLU middle . . 49 A 49 LYS middle . . 50 A 50 ILE middle . . 51 A 51 CYS middle -HG . 52 A 52 PRO middle . false 53 A 53 TYR middle . . 54 A 54 CYS middle -HG . 55 A 55 SER middle . . 56 A 56 THR middle . . 57 A 57 LEU middle . . 58 A 58 TYR middle . . 59 A 59 ARG middle . . 60 A 60 TYR middle . . 61 A 61 ASP middle . . 62 A 62 PRO middle . false 63 A 63 SER middle . . 64 A 64 LEU middle . . 65 A 65 SER middle . . 66 A 66 TYR middle . . 67 A 67 ASN middle . . 68 A 68 GLN middle . . 69 A 69 THR middle . . 70 A 70 ASN middle . . 71 A 71 PRO middle . false 72 A 72 THR middle . . 73 A 73 GLY middle . false 74 A 74 CYS middle . . 75 A 75 LEU middle . . 76 A 76 TYR middle . . 77 A 77 ASN middle . . 78 A 78 PRO middle . false 79 A 79 LYS middle . . 80 A 80 LEU middle . . 81 A 81 GLU middle . . 82 A 82 HIS middle . . 83 A 83 HIS middle . . 84 A 84 HIS middle . . 85 A 85 HIS middle . . 86 A 86 HIS middle . . 87 A 87 HIS end . . 88 B 1 ZN . . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 ALA HA H 1 3.96 0.02 A 2 ALA HB% H 1 1.31 0.02 A 2 ALA C C 13 173.4 0.2 A 2 ALA CA C 13 51.7 0.2 A 2 ALA CB C 13 19.2 0.2 A 3 ASP H H 1 8.52 0.02 A 3 ASP HA H 1 4.55 0.02 A 3 ASP HBx H 1 2.48 0.02 A 3 ASP HBy H 1 2.63 0.02 A 3 ASP C C 13 175.5 0.2 A 3 ASP CA C 13 54.2 0.2 A 3 ASP CB C 13 41.4 0.2 A 3 ASP N N 15 120.2 0.2 A 4 TYR H H 1 8.05 0.02 A 4 TYR HA H 1 4.55 0.02 A 4 TYR HBx H 1 2.89 0.02 A 4 TYR HBy H 1 3.02 0.02 A 4 TYR HDx H 1 7.00 0.02 A 4 TYR HDy H 1 7.00 0.02 A 4 TYR C C 13 175.5 0.2 A 4 TYR CA C 13 57.2 0.2 A 4 TYR CB C 13 38.7 0.2 A 4 TYR CDx C 13 133.1 0.02 A 4 TYR CDy C 13 133.1 0.02 A 4 TYR N N 15 119.5 0.2 A 5 ASN H H 1 8.52 0.02 A 5 ASN HA H 1 4.72 0.02 A 5 ASN HBx H 1 2.70 0.02 A 5 ASN HBy H 1 2.78 0.02 A 5 ASN HD2x H 1 6.91 0.02 A 5 ASN HD2y H 1 7.63 0.02 A 5 ASN C C 13 174.5 0.2 A 5 ASN CA C 13 53.2 0.2 A 5 ASN CB C 13 38.7 0.2 A 5 ASN N N 15 121.1 0.2 A 5 ASN ND2 N 15 113.3 0.2 A 6 ILE H H 1 7.97 0.02 A 6 ILE HA H 1 4.61 0.02 A 6 ILE HB H 1 1.96 0.02 A 6 ILE HD1% H 1 0.80 0.02 A 6 ILE HG1x H 1 1.17 0.02 A 6 ILE HG1y H 1 1.44 0.02 A 6 ILE HG2% H 1 0.97 0.02 A 6 ILE CA C 13 58.5 0.2 A 6 ILE CB C 13 39.3 0.2 A 6 ILE CD1 C 13 13.5 0.2 A 6 ILE CG1 C 13 26.7 0.2 A 6 ILE CG2 C 13 17.2 0.2 A 6 ILE N N 15 121.1 0.2 A 7 PRO HA H 1 4.38 0.02 A 7 PRO HBx H 1 1.63 0.02 A 7 PRO HBy H 1 2.09 0.02 A 7 PRO HDx H 1 3.96 0.02 A 7 PRO HDy H 1 4.12 0.02 A 7 PRO HGx H 1 2.09 0.02 A 7 PRO HGy H 1 2.31 0.02 A 7 PRO CA C 13 64.0 0.2 A 7 PRO CB C 13 32.7 0.2 A 7 PRO CD C 13 51.5 0.2 A 7 PRO CG C 13 28.7 0.2 A 8 HIS HA H 1 5.38 0.02 A 8 HIS HBx H 1 2.60 0.02 A 8 HIS HBy H 1 3.44 0.02 A 8 HIS C C 13 173.1 0.2 A 8 HIS CA C 13 52.9 0.2 A 8 HIS CB C 13 32.0 0.2 A 9 PHE H H 1 8.86 0.02 A 9 PHE HA H 1 5.61 0.02 A 9 PHE HBx H 1 2.82 0.02 A 9 PHE HBy H 1 3.28 0.02 A 9 PHE HDx H 1 6.92 0.02 A 9 PHE HDy H 1 6.92 0.02 A 9 PHE C C 13 172.6 0.2 A 9 PHE CA C 13 57.0 0.2 A 9 PHE CB C 13 43.0 0.2 A 9 PHE CDx C 13 131.2 0.02 A 9 PHE CDy C 13 131.2 0.02 A 9 PHE N N 15 119.9 0.2 A 10 GLN H H 1 9.02 0.02 A 10 GLN HA H 1 4.65 0.02 A 10 GLN HBx H 1 1.67 0.02 A 10 GLN HBy H 1 1.67 0.02 A 10 GLN HE2x H 1 6.56 0.02 A 10 GLN HE2y H 1 7.15 0.02 A 10 GLN HGx H 1 2.10 0.02 A 10 GLN HGy H 1 2.24 0.02 A 10 GLN C C 13 173.1 0.2 A 10 GLN CA C 13 53.1 0.2 A 10 GLN CB C 13 33.1 0.2 A 10 GLN CG C 13 32.5 0.2 A 10 GLN N N 15 117.6 0.2 A 10 GLN NE2 N 15 110.5 0.2 A 11 ASN H H 1 7.97 0.02 A 11 ASN HA H 1 5.23 0.02 A 11 ASN HBx H 1 2.30 0.02 A 11 ASN HBy H 1 3.02 0.02 A 11 ASN C C 13 176.3 0.2 A 11 ASN CA C 13 49.7 0.2 A 11 ASN CB C 13 38.5 0.2 A 11 ASN N N 15 118.8 0.2 A 12 ASP H H 1 8.94 0.02 A 12 ASP HA H 1 4.52 0.02 A 12 ASP HBx H 1 2.56 0.02 A 12 ASP HBy H 1 2.56 0.02 A 12 ASP C C 13 177.8 0.2 A 12 ASP CA C 13 56.9 0.2 A 12 ASP CB C 13 41.4 0.2 A 12 ASP N N 15 122.5 0.2 A 13 LEU H H 1 7.86 0.02 A 13 LEU HA H 1 4.19 0.02 A 13 LEU HBx H 1 0.96 0.02 A 13 LEU HBy H 1 1.14 0.02 A 13 LEU HDx% H 1 0.77 0.02 A 13 LEU HDy% H 1 0.89 0.02 A 13 LEU HG H 1 1.51 0.02 A 13 LEU C C 13 177.3 0.2 A 13 LEU CA C 13 54.3 0.2 A 13 LEU CB C 13 41.3 0.2 A 13 LEU CDx C 13 22.8 0.02 A 13 LEU CDy C 13 24.9 0.02 A 13 LEU CG C 13 27.4 0.2 A 13 LEU N N 15 116.5 0.2 A 14 GLY H H 1 7.42 0.02 A 14 GLY HAx H 1 3.61 0.02 A 14 GLY HAy H 1 3.61 0.02 A 14 GLY C C 13 175.6 0.2 A 14 GLY CA C 13 46.9 0.2 A 14 GLY N N 15 109.5 0.2 A 15 TYR H H 1 8.64 0.02 A 15 TYR HA H 1 4.46 0.02 A 15 TYR HBx H 1 2.38 0.02 A 15 TYR HBy H 1 3.01 0.02 A 15 TYR HDx H 1 7.08 0.02 A 15 TYR HDy H 1 7.08 0.02 A 15 TYR C C 13 177.9 0.2 A 15 TYR CA C 13 57.7 0.2 A 15 TYR CB C 13 37.9 0.2 A 15 TYR CDx C 13 132.7 0.02 A 15 TYR CDy C 13 132.7 0.02 A 15 TYR N N 15 121.4 0.2 A 16 LYS H H 1 8.99 0.02 A 16 LYS HA H 1 4.16 0.02 A 16 LYS HBx H 1 1.86 0.02 A 16 LYS HBy H 1 1.86 0.02 A 16 LYS HDx H 1 1.68 0.02 A 16 LYS HDy H 1 1.68 0.02 A 16 LYS HEx H 1 3.00 0.02 A 16 LYS HEy H 1 3.00 0.02 A 16 LYS HGx H 1 1.51 0.02 A 16 LYS HGy H 1 1.60 0.02 A 16 LYS C C 13 176.8 0.2 A 16 LYS CA C 13 58.0 0.2 A 16 LYS CB C 13 32.7 0.2 A 16 LYS CD C 13 28.4 0.2 A 16 LYS CE C 13 42.2 0.2 A 16 LYS CG C 13 25.1 0.2 A 16 LYS N N 15 121.3 0.2 A 17 ILE H H 1 7.12 0.02 A 17 ILE HA H 1 5.15 0.02 A 17 ILE HB H 1 1.47 0.02 A 17 ILE HD1% H 1 0.77 0.02 A 17 ILE HG1x H 1 0.94 0.02 A 17 ILE HG1y H 1 1.38 0.02 A 17 ILE HG2% H 1 0.64 0.02 A 17 ILE C C 13 175.1 0.2 A 17 ILE CA C 13 59.2 0.2 A 17 ILE CB C 13 42.1 0.2 A 17 ILE CD1 C 13 13.6 0.2 A 17 ILE CG1 C 13 27.6 0.2 A 17 ILE CG2 C 13 16.1 0.2 A 17 ILE N N 15 116.8 0.2 A 18 ILE H H 1 8.49 0.02 A 18 ILE HA H 1 4.13 0.02 A 18 ILE HB H 1 1.18 0.02 A 18 ILE HD1% H 1 0.78 0.02 A 18 ILE HG1x H 1 0.73 0.02 A 18 ILE HG1y H 1 1.06 0.02 A 18 ILE HG2% H 1 0.58 0.02 A 18 ILE C C 13 174.8 0.2 A 18 ILE CA C 13 60.9 0.2 A 18 ILE CB C 13 40.5 0.2 A 18 ILE CD1 C 13 13.3 0.2 A 18 ILE CG1 C 13 27.7 0.2 A 18 ILE CG2 C 13 16.6 0.2 A 18 ILE N N 15 127.1 0.2 A 19 GLU H H 1 8.80 0.02 A 19 GLU HA H 1 5.44 0.02 A 19 GLU HBx H 1 1.76 0.02 A 19 GLU HBy H 1 2.18 0.02 A 19 GLU HGx H 1 1.95 0.02 A 19 GLU HGy H 1 2.27 0.02 A 19 GLU C C 13 175.1 0.2 A 19 GLU CA C 13 54.3 0.2 A 19 GLU CB C 13 30.7 0.2 A 19 GLU CG C 13 37.5 0.2 A 19 GLU N N 15 126.2 0.2 A 20 ILE H H 1 8.61 0.02 A 20 ILE HA H 1 4.61 0.02 A 20 ILE HB H 1 1.60 0.02 A 20 ILE HD1% H 1 -0.33 0.02 A 20 ILE HG1x H 1 0.56 0.02 A 20 ILE HG1y H 1 1.32 0.02 A 20 ILE HG2% H 1 -0.20 0.02 A 20 ILE C C 13 174.9 0.2 A 20 ILE CA C 13 59.8 0.2 A 20 ILE CB C 13 42.6 0.2 A 20 ILE CD1 C 13 14.9 0.2 A 20 ILE CG1 C 13 24.7 0.2 A 20 ILE CG2 C 13 18.6 0.2 A 20 ILE N N 15 114.6 0.2 A 21 GLY H H 1 9.82 0.02 A 21 GLY HAx H 1 3.48 0.02 A 21 GLY HAy H 1 4.58 0.02 A 21 GLY C C 13 174.9 0.2 A 21 GLY CA C 13 45.0 0.2 A 21 GLY N N 15 108.6 0.2 A 22 VAL H H 1 7.00 0.02 A 22 VAL HA H 1 4.88 0.02 A 22 VAL HB H 1 2.56 0.02 A 22 VAL HGx% H 1 1.03 0.02 A 22 VAL HGy% H 1 1.26 0.02 A 22 VAL C C 13 172.7 0.2 A 22 VAL CA C 13 59.0 0.2 A 22 VAL CB C 13 36.7 0.2 A 22 VAL CGx C 13 19.2 0.02 A 22 VAL CGy C 13 23.1 0.02 A 22 VAL N N 15 110.3 0.2 A 23 LYS H H 1 8.21 0.02 A 23 LYS HA H 1 4.62 0.02 A 23 LYS HBx H 1 1.62 0.02 A 23 LYS HBy H 1 1.82 0.02 A 23 LYS HDx H 1 1.31 0.02 A 23 LYS HDy H 1 1.34 0.02 A 23 LYS HEx H 1 2.25 0.02 A 23 LYS HEy H 1 2.51 0.02 A 23 LYS HGx H 1 0.71 0.02 A 23 LYS HGy H 1 0.78 0.02 A 23 LYS C C 13 175.2 0.2 A 23 LYS CA C 13 56.6 0.2 A 23 LYS CB C 13 34.9 0.2 A 23 LYS CD C 13 29.4 0.2 A 23 LYS CE C 13 42.7 0.2 A 23 LYS CG C 13 26.0 0.2 A 23 LYS N N 15 113.2 0.2 A 24 GLU H H 1 6.94 0.02 A 24 GLU HA H 1 5.26 0.02 A 24 GLU HBx H 1 2.09 0.02 A 24 GLU HBy H 1 2.09 0.02 A 24 GLU HGx H 1 2.21 0.02 A 24 GLU HGy H 1 2.21 0.02 A 24 GLU C C 13 174.8 0.2 A 24 GLU CA C 13 54.9 0.2 A 24 GLU CB C 13 32.0 0.2 A 24 GLU CG C 13 36.0 0.2 A 24 GLU N N 15 116.5 0.2 A 25 PHE H H 1 8.27 0.02 A 25 PHE HA H 1 4.91 0.02 A 25 PHE HBx H 1 2.89 0.02 A 25 PHE HBy H 1 3.15 0.02 A 25 PHE HDx H 1 6.71 0.02 A 25 PHE HDy H 1 6.71 0.02 A 25 PHE C C 13 171.1 0.2 A 25 PHE CA C 13 56.3 0.2 A 25 PHE CB C 13 40.2 0.2 A 25 PHE CDx C 13 131.2 0.02 A 25 PHE CDy C 13 131.2 0.02 A 25 PHE N N 15 119.7 0.2 A 26 MET H H 1 8.57 0.02 A 26 MET HA H 1 5.52 0.02 A 26 MET HBx H 1 0.87 0.02 A 26 MET HBy H 1 1.19 0.02 A 26 MET HE% H 1 1.87 0.02 A 26 MET HGx H 1 1.85 0.02 A 26 MET HGy H 1 1.96 0.02 A 26 MET CA C 13 52.6 0.2 A 26 MET CB C 13 35.3 0.2 A 26 MET CE C 13 17.8 0.2 A 26 MET CG C 13 32.1 0.2 A 26 MET N N 15 114.5 0.2 A 27 CYS HA H 1 5.20 0.02 A 27 CYS HBx H 1 2.89 0.02 A 27 CYS HBy H 1 3.38 0.02 A 27 CYS CA C 13 58.6 0.2 A 27 CYS CB C 13 32.0 0.2 A 28 VAL H H 1 8.28 0.02 A 28 VAL HA H 1 4.23 0.02 A 28 VAL HB H 1 1.92 0.02 A 28 VAL HGx% H 1 -0.12 0.02 A 28 VAL HGy% H 1 0.22 0.02 A 28 VAL CA C 13 59.1 0.2 A 28 VAL CGy C 13 19.6 0.02 A 28 VAL CGx C 13 17.9 0.02 A 28 VAL N N 15 120.2 0.2 A 29 GLY H H 1 8.50 0.02 A 29 GLY HAx H 1 3.93 0.02 A 29 GLY HAy H 1 3.93 0.02 A 29 GLY C C 13 173.7 0.2 A 29 GLY CA C 13 45.2 0.2 A 29 GLY N N 15 113.0 0.2 A 30 ALA H H 1 8.15 0.02 A 30 ALA HA H 1 4.37 0.02 A 30 ALA HB% H 1 1.38 0.02 A 30 ALA C C 13 177.9 0.2 A 30 ALA CA C 13 52.5 0.2 A 30 ALA CB C 13 19.6 0.2 A 30 ALA N N 15 123.8 0.2 A 31 THR H H 1 8.17 0.02 A 31 THR HA H 1 4.27 0.02 A 31 THR HB H 1 4.16 0.02 A 31 THR HG2% H 1 1.16 0.02 A 31 THR CA C 13 62.1 0.2 A 31 THR CB C 13 69.7 0.2 A 31 THR CG2 C 13 21.7 0.2 A 31 THR N N 15 113.6 0.2 A 32 GLN HE2x H 1 6.73 0.02 A 32 GLN HE2y H 1 7.41 0.02 A 32 GLN HGx H 1 2.22 0.02 A 32 GLN HGy H 1 2.94 0.02 A 32 GLN CG C 13 37.3 0.2 A 32 GLN NE2 N 15 110.5 0.2 A 33 PRO HA H 1 4.60 0.02 A 33 PRO HBx H 1 1.90 0.02 A 33 PRO HBy H 1 2.18 0.02 A 33 PRO HDx H 1 3.19 0.02 A 33 PRO HDy H 1 3.31 0.02 A 33 PRO HGx H 1 0.50 0.02 A 33 PRO HGy H 1 1.63 0.02 A 33 PRO C C 13 175.3 0.2 A 33 PRO CA C 13 63.9 0.2 A 33 PRO CB C 13 32.4 0.2 A 33 PRO CD C 13 49.8 0.2 A 33 PRO CG C 13 23.7 0.2 A 34 PHE H H 1 8.90 0.02 A 34 PHE HA H 1 4.85 0.02 A 34 PHE HBx H 1 2.79 0.02 A 34 PHE HBy H 1 3.58 0.02 A 34 PHE HDx H 1 7.28 0.02 A 34 PHE HDy H 1 7.28 0.02 A 34 PHE CA C 13 57.8 0.2 A 34 PHE CB C 13 38.2 0.2 A 34 PHE CDx C 13 131.5 0.02 A 34 PHE CDy C 13 131.5 0.02 A 34 PHE N N 15 127.5 0.2 A 37 PRO HA H 1 4.27 0.02 A 37 PRO HBx H 1 1.60 0.02 A 37 PRO HBy H 1 2.29 0.02 A 37 PRO HDx H 1 2.72 0.02 A 37 PRO HDy H 1 3.68 0.02 A 37 PRO HGx H 1 1.86 0.02 A 37 PRO HGy H 1 1.86 0.02 A 37 PRO C C 13 177.1 0.2 A 37 PRO CA C 13 63.5 0.2 A 37 PRO CB C 13 31.5 0.2 A 37 PRO CD C 13 50.8 0.2 A 37 PRO CG C 13 28.2 0.2 A 38 HIS H H 1 9.20 0.02 A 38 HIS HA H 1 4.85 0.02 A 38 HIS HBx H 1 2.87 0.02 A 38 HIS HBy H 1 3.22 0.02 A 38 HIS C C 13 175.1 0.2 A 38 HIS CA C 13 56.1 0.2 A 38 HIS CB C 13 29.8 0.2 A 38 HIS N N 15 124.8 0.2 A 39 ILE H H 1 8.35 0.02 A 39 ILE HA H 1 4.81 0.02 A 39 ILE HB H 1 1.93 0.02 A 39 ILE HD1% H 1 0.82 0.02 A 39 ILE HG1x H 1 1.25 0.02 A 39 ILE HG1y H 1 1.52 0.02 A 39 ILE HG2% H 1 1.26 0.02 A 39 ILE C C 13 172.5 0.2 A 39 ILE CA C 13 57.8 0.2 A 39 ILE CB C 13 41.7 0.2 A 39 ILE CD1 C 13 13.3 0.2 A 39 ILE CG1 C 13 28.4 0.2 A 39 ILE CG2 C 13 18.2 0.2 A 39 ILE N N 15 124.0 0.2 A 40 PHE H H 1 8.39 0.02 A 40 PHE HA H 1 4.79 0.02 A 40 PHE HBx H 1 2.83 0.02 A 40 PHE HBy H 1 2.83 0.02 A 40 PHE HDx H 1 6.96 0.02 A 40 PHE HDy H 1 6.96 0.02 A 40 PHE HEx H 1 6.69 0.02 A 40 PHE HEy H 1 6.69 0.02 A 40 PHE C C 13 173.9 0.2 A 40 PHE CA C 13 57.4 0.2 A 40 PHE CB C 13 39.5 0.2 A 40 PHE CDx C 13 131.6 0.02 A 40 PHE CDy C 13 131.6 0.02 A 40 PHE N N 15 127.8 0.2 A 41 ILE H H 1 8.59 0.02 A 41 ILE HA H 1 3.44 0.02 A 41 ILE HB H 1 -0.19 0.02 A 41 ILE HD1% H 1 0.77 0.02 A 41 ILE HG1x H 1 0.60 0.02 A 41 ILE HG1y H 1 1.23 0.02 A 41 ILE HG2% H 1 0.30 0.02 A 41 ILE C C 13 170.4 0.2 A 41 ILE CA C 13 60.5 0.2 A 41 ILE CB C 13 38.2 0.2 A 41 ILE CD1 C 13 13.2 0.2 A 41 ILE CG1 C 13 27.3 0.2 A 41 ILE CG2 C 13 18.5 0.2 A 41 ILE N N 15 132.1 0.2 A 42 ASP H H 1 7.56 0.02 A 42 ASP HA H 1 5.00 0.02 A 42 ASP HBx H 1 2.32 0.02 A 42 ASP HBy H 1 2.58 0.02 A 42 ASP C C 13 177.7 0.2 A 42 ASP CA C 13 50.5 0.2 A 42 ASP CB C 13 42.5 0.2 A 42 ASP N N 15 121.8 0.2 A 43 MET H H 1 9.27 0.02 A 43 MET HA H 1 3.80 0.02 A 43 MET HBx H 1 1.76 0.02 A 43 MET HBy H 1 2.16 0.02 A 43 MET HE% H 1 2.02 0.02 A 43 MET HGx H 1 2.34 0.02 A 43 MET HGy H 1 2.75 0.02 A 43 MET C C 13 177.8 0.2 A 43 MET CA C 13 58.4 0.2 A 43 MET CB C 13 32.8 0.2 A 43 MET CE C 13 18.7 0.2 A 43 MET CG C 13 34.2 0.2 A 43 MET N N 15 123.1 0.2 A 44 GLY H H 1 8.80 0.02 A 44 GLY HAx H 1 3.61 0.02 A 44 GLY HAy H 1 3.83 0.02 A 44 GLY C C 13 175.2 0.2 A 44 GLY CA C 13 47.1 0.2 A 44 GLY N N 15 109.1 0.2 A 45 SER H H 1 8.90 0.02 A 45 SER HA H 1 4.44 0.02 A 45 SER HBx H 1 3.89 0.02 A 45 SER HBy H 1 4.02 0.02 A 45 SER C C 13 174.7 0.2 A 45 SER CA C 13 58.7 0.2 A 45 SER CB C 13 63.4 0.2 A 45 SER N N 15 121.3 0.2 A 46 THR H H 1 7.91 0.02 A 46 THR HA H 1 4.71 0.02 A 46 THR HB H 1 4.47 0.02 A 46 THR HG2% H 1 1.36 0.02 A 46 THR C C 13 173.0 0.2 A 46 THR CA C 13 60.9 0.2 A 46 THR CB C 13 70.6 0.2 A 46 THR CG2 C 13 21.7 0.2 A 46 THR N N 15 115.1 0.2 A 47 ASP H H 1 8.40 0.02 A 47 ASP HA H 1 4.98 0.02 A 47 ASP HBx H 1 2.89 0.02 A 47 ASP HBy H 1 3.10 0.02 A 47 ASP C C 13 175.0 0.2 A 47 ASP CA C 13 54.0 0.2 A 47 ASP CB C 13 42.1 0.2 A 47 ASP N N 15 116.0 0.2 A 48 GLU H H 1 7.50 0.02 A 48 GLU HA H 1 5.59 0.02 A 48 GLU HBx H 1 1.90 0.02 A 48 GLU HBy H 1 2.21 0.02 A 48 GLU HGx H 1 2.07 0.02 A 48 GLU HGy H 1 2.22 0.02 A 48 GLU C C 13 175.1 0.2 A 48 GLU CA C 13 55.2 0.2 A 48 GLU CB C 13 32.9 0.2 A 48 GLU CG C 13 35.2 0.2 A 48 GLU N N 15 115.2 0.2 A 49 LYS H H 1 9.18 0.02 A 49 LYS HA H 1 4.51 0.02 A 49 LYS HBx H 1 1.63 0.02 A 49 LYS HBy H 1 1.71 0.02 A 49 LYS HDx H 1 1.71 0.02 A 49 LYS HDy H 1 1.71 0.02 A 49 LYS HEx H 1 3.05 0.02 A 49 LYS HEy H 1 3.05 0.02 A 49 LYS HGx H 1 1.40 0.02 A 49 LYS HGy H 1 1.49 0.02 A 49 LYS C C 13 173.9 0.2 A 49 LYS CA C 13 56.1 0.2 A 49 LYS CB C 13 38.5 0.2 A 49 LYS CD C 13 29.6 0.2 A 49 LYS CE C 13 42.2 0.2 A 49 LYS CG C 13 25.9 0.2 A 49 LYS N N 15 121.2 0.2 A 50 ILE H H 1 8.13 0.02 A 50 ILE HA H 1 5.04 0.02 A 50 ILE HB H 1 1.57 0.02 A 50 ILE HD1% H 1 0.85 0.02 A 50 ILE HG1x H 1 0.93 0.02 A 50 ILE HG1y H 1 1.43 0.02 A 50 ILE HG2% H 1 0.73 0.02 A 50 ILE C C 13 176.2 0.2 A 50 ILE CA C 13 59.5 0.2 A 50 ILE CB C 13 40.6 0.2 A 50 ILE CD1 C 13 13.6 0.2 A 50 ILE CG1 C 13 28.9 0.2 A 50 ILE CG2 C 13 17.3 0.2 A 50 ILE N N 15 123.0 0.2 A 51 CYS H H 1 8.80 0.02 A 51 CYS HA H 1 4.82 0.02 A 51 CYS HBx H 1 3.02 0.02 A 51 CYS HBy H 1 3.42 0.02 A 51 CYS CA C 13 56.5 0.2 A 51 CYS CB C 13 31.3 0.2 A 51 CYS N N 15 128.4 0.2 A 52 PRO HA H 1 4.36 0.02 A 52 PRO HBx H 1 1.65 0.02 A 52 PRO HBy H 1 2.19 0.02 A 52 PRO HDx H 1 3.96 0.02 A 52 PRO HDy H 1 4.09 0.02 A 52 PRO HGx H 1 1.60 0.02 A 52 PRO HGy H 1 1.94 0.02 A 52 PRO C C 13 177.0 0.2 A 52 PRO CA C 13 64.0 0.2 A 52 PRO CB C 13 32.2 0.2 A 52 PRO CD C 13 51.0 0.2 A 52 PRO CG C 13 27.0 0.2 A 53 TYR H H 1 8.99 0.02 A 53 TYR HA H 1 4.56 0.02 A 53 TYR HBx H 1 1.42 0.02 A 53 TYR HBy H 1 2.39 0.02 A 53 TYR HDx H 1 6.78 0.02 A 53 TYR HDy H 1 6.78 0.02 A 53 TYR C C 13 177.0 0.2 A 53 TYR CA C 13 59.3 0.2 A 53 TYR CB C 13 37.8 0.2 A 53 TYR CDx C 13 132.1 0.02 A 53 TYR CDy C 13 132.1 0.02 A 53 TYR N N 15 120.1 0.2 A 54 CYS H H 1 8.41 0.02 A 54 CYS HA H 1 5.18 0.02 A 54 CYS HBx H 1 3.24 0.02 A 54 CYS HBy H 1 3.55 0.02 A 54 CYS C C 13 175.8 0.2 A 54 CYS CA C 13 58.6 0.2 A 54 CYS CB C 13 31.2 0.2 A 54 CYS N N 15 117.1 0.2 A 55 SER H H 1 8.09 0.02 A 55 SER HA H 1 4.38 0.02 A 55 SER HBx H 1 3.80 0.02 A 55 SER HBy H 1 3.80 0.02 A 55 SER C C 13 172.8 0.2 A 55 SER CA C 13 58.5 0.2 A 55 SER CB C 13 63.7 0.2 A 55 SER N N 15 114.4 0.2 A 56 THR H H 1 7.83 0.02 A 56 THR HA H 1 3.62 0.02 A 56 THR HB H 1 3.80 0.02 A 56 THR HG2% H 1 0.33 0.02 A 56 THR C C 13 171.7 0.2 A 56 THR CA C 13 65.3 0.2 A 56 THR CB C 13 68.9 0.2 A 56 THR CG2 C 13 20.1 0.2 A 56 THR N N 15 119.8 0.2 A 57 LEU H H 1 7.64 0.02 A 57 LEU HA H 1 4.44 0.02 A 57 LEU HBx H 1 1.30 0.02 A 57 LEU HBy H 1 2.05 0.02 A 57 LEU HDx% H 1 0.75 0.02 A 57 LEU HDy% H 1 0.74 0.02 A 57 LEU HG H 1 1.23 0.02 A 57 LEU C C 13 172.9 0.2 A 57 LEU CA C 13 54.9 0.2 A 57 LEU CB C 13 42.5 0.2 A 57 LEU CDx C 13 24.4 0.02 A 57 LEU CDy C 13 25.4 0.02 A 57 LEU CG C 13 27.5 0.2 A 57 LEU N N 15 128.6 0.2 A 58 TYR H H 1 8.57 0.02 A 58 TYR HA H 1 5.25 0.02 A 58 TYR HBx H 1 2.16 0.02 A 58 TYR HBy H 1 2.85 0.02 A 58 TYR HDx H 1 6.45 0.02 A 58 TYR HDy H 1 6.45 0.02 A 58 TYR C C 13 174.9 0.2 A 58 TYR CA C 13 57.3 0.2 A 58 TYR CB C 13 40.8 0.2 A 58 TYR CDx C 13 129.3 0.02 A 58 TYR CDy C 13 129.3 0.02 A 58 TYR N N 15 127.3 0.2 A 59 ARG H H 1 8.54 0.02 A 59 ARG HA H 1 5.14 0.02 A 59 ARG HBx H 1 1.45 0.02 A 59 ARG HBy H 1 1.60 0.02 A 59 ARG HDx H 1 3.11 0.02 A 59 ARG HDy H 1 3.20 0.02 A 59 ARG HGx H 1 1.56 0.02 A 59 ARG HGy H 1 1.67 0.02 A 59 ARG C C 13 174.4 0.2 A 59 ARG CA C 13 53.7 0.2 A 59 ARG CB C 13 34.7 0.2 A 59 ARG CD C 13 43.8 0.2 A 59 ARG CG C 13 27.4 0.2 A 59 ARG N N 15 122.3 0.2 A 60 TYR H H 1 8.85 0.02 A 60 TYR HA H 1 4.80 0.02 A 60 TYR HBx H 1 2.71 0.02 A 60 TYR HBy H 1 2.98 0.02 A 60 TYR HDx H 1 6.89 0.02 A 60 TYR HDy H 1 6.89 0.02 A 60 TYR C C 13 174.4 0.2 A 60 TYR CA C 13 56.7 0.2 A 60 TYR CB C 13 39.7 0.2 A 60 TYR CDx C 13 133.4 0.02 A 60 TYR CDy C 13 133.4 0.02 A 60 TYR N N 15 126.4 0.2 A 61 ASP H H 1 8.72 0.02 A 61 ASP HA H 1 4.75 0.02 A 61 ASP HBx H 1 2.14 0.02 A 61 ASP HBy H 1 2.62 0.02 A 61 ASP CA C 13 49.5 0.2 A 61 ASP CB C 13 42.6 0.2 A 61 ASP N N 15 129.2 0.2 A 62 PRO HA H 1 4.09 0.02 A 62 PRO HBx H 1 1.99 0.02 A 62 PRO HBy H 1 2.25 0.02 A 62 PRO HDx H 1 2.94 0.02 A 62 PRO HDy H 1 3.73 0.02 A 62 PRO HGx H 1 1.79 0.02 A 62 PRO HGy H 1 1.91 0.02 A 62 PRO C C 13 177.3 0.2 A 62 PRO CA C 13 62.9 0.2 A 62 PRO CB C 13 31.7 0.2 A 62 PRO CD C 13 50.5 0.2 A 62 PRO CG C 13 26.1 0.2 A 63 SER H H 1 8.48 0.02 A 63 SER HA H 1 4.22 0.02 A 63 SER HBx H 1 3.74 0.02 A 63 SER HBy H 1 3.84 0.02 A 63 SER C C 13 174.9 0.2 A 63 SER CA C 13 59.8 0.2 A 63 SER CB C 13 63.4 0.2 A 63 SER N N 15 115.7 0.2 A 64 LEU H H 1 7.51 0.02 A 64 LEU HA H 1 4.27 0.02 A 64 LEU HBx H 1 1.34 0.02 A 64 LEU HBy H 1 1.59 0.02 A 64 LEU HDx% H 1 0.47 0.02 A 64 LEU HDy% H 1 0.55 0.02 A 64 LEU HG H 1 1.26 0.02 A 64 LEU C C 13 177.0 0.2 A 64 LEU CA C 13 54.1 0.2 A 64 LEU CB C 13 41.8 0.2 A 64 LEU CDx C 13 22.3 0.02 A 64 LEU CDy C 13 25.9 0.02 A 64 LEU CG C 13 26.3 0.2 A 64 LEU N N 15 124.7 0.2 A 65 SER H H 1 8.34 0.02 A 65 SER HA H 1 4.58 0.02 A 65 SER HBx H 1 3.90 0.02 A 65 SER HBy H 1 3.90 0.02 A 65 SER C C 13 175.5 0.2 A 65 SER CA C 13 58.1 0.2 A 65 SER CB C 13 63.8 0.2 A 65 SER N N 15 115.6 0.2 A 66 TYR H H 1 8.31 0.02 A 66 TYR HA H 1 4.20 0.02 A 66 TYR HBx H 1 3.07 0.02 A 66 TYR HBy H 1 3.07 0.02 A 66 TYR HDx H 1 7.13 0.02 A 66 TYR HDy H 1 7.13 0.02 A 66 TYR HEx H 1 6.87 0.02 A 66 TYR HEy H 1 6.87 0.02 A 66 TYR CA C 13 60.6 0.2 A 66 TYR CB C 13 37.7 0.2 A 66 TYR CDx C 13 133.5 0.02 A 66 TYR CDy C 13 133.5 0.02 A 66 TYR CEx C 13 118.2 0.02 A 66 TYR CEy C 13 118.2 0.02 A 66 TYR N N 15 118.8 0.2 A 67 ASN HA H 1 4.66 0.02 A 67 ASN HBx H 1 2.22 0.02 A 67 ASN HBy H 1 2.94 0.02 A 67 ASN C C 13 174.1 0.2 A 67 ASN CA C 13 51.0 0.2 A 67 ASN CB C 13 37.4 0.2 A 68 GLN H H 1 7.63 0.02 A 68 GLN HA H 1 4.68 0.02 A 68 GLN HBx H 1 2.01 0.02 A 68 GLN HBy H 1 2.03 0.02 A 68 GLN HE2x H 1 6.84 0.02 A 68 GLN HE2y H 1 7.51 0.02 A 68 GLN HGx H 1 2.27 0.02 A 68 GLN HGy H 1 2.41 0.02 A 68 GLN C C 13 174.4 0.2 A 68 GLN CA C 13 54.8 0.2 A 68 GLN CB C 13 32.3 0.2 A 68 GLN CG C 13 33.9 0.2 A 68 GLN N N 15 119.8 0.2 A 68 GLN NE2 N 15 111.8 0.2 A 69 THR H H 1 8.26 0.02 A 69 THR HA H 1 5.14 0.02 A 69 THR HB H 1 4.07 0.02 A 69 THR HG2% H 1 1.08 0.02 A 69 THR C C 13 173.7 0.2 A 69 THR CA C 13 59.8 0.2 A 69 THR CB C 13 72.7 0.2 A 69 THR CG2 C 13 23.6 0.2 A 69 THR N N 15 110.0 0.2 A 70 ASN H H 1 8.76 0.02 A 70 ASN HA H 1 4.78 0.02 A 70 ASN HBx H 1 2.43 0.02 A 70 ASN HBy H 1 2.97 0.02 A 70 ASN HD2x H 1 6.70 0.02 A 70 ASN HD2y H 1 7.82 0.02 A 70 ASN CA C 13 50.5 0.2 A 70 ASN CB C 13 41.5 0.2 A 70 ASN N N 15 118.3 0.2 A 70 ASN ND2 N 15 113.8 0.2 A 71 PRO HA H 1 4.66 0.02 A 71 PRO HBx H 1 1.51 0.02 A 71 PRO HBy H 1 2.22 0.02 A 71 PRO HDx H 1 2.87 0.02 A 71 PRO HDy H 1 3.50 0.02 A 71 PRO HGx H 1 0.32 0.02 A 71 PRO HGy H 1 0.86 0.02 A 71 PRO C C 13 176.1 0.2 A 71 PRO CA C 13 62.8 0.2 A 71 PRO CB C 13 35.0 0.2 A 71 PRO CD C 13 50.8 0.2 A 71 PRO CG C 13 25.0 0.2 A 72 THR H H 1 8.60 0.02 A 72 THR HA H 1 4.32 0.02 A 72 THR HB H 1 4.32 0.02 A 72 THR HG2% H 1 1.36 0.02 A 72 THR C C 13 174.7 0.2 A 72 THR CA C 13 62.9 0.2 A 72 THR CB C 13 69.6 0.2 A 72 THR CG2 C 13 21.2 0.2 A 72 THR N N 15 115.8 0.2 A 73 GLY H H 1 8.49 0.02 A 73 GLY HAx H 1 4.05 0.02 A 73 GLY HAy H 1 4.33 0.02 A 73 GLY C C 13 176.3 0.2 A 73 GLY CA C 13 46.3 0.2 A 73 GLY N N 15 109.5 0.2 A 74 CYS H H 1 7.73 0.02 A 74 CYS HA H 1 4.92 0.02 A 74 CYS HBx H 1 2.89 0.02 A 74 CYS HBy H 1 3.85 0.02 A 74 CYS C C 13 173.9 0.2 A 74 CYS CA C 13 60.1 0.2 A 74 CYS CB C 13 28.0 0.2 A 74 CYS N N 15 115.5 0.2 A 75 LEU H H 1 8.06 0.02 A 75 LEU HA H 1 4.67 0.02 A 75 LEU HBx H 1 1.56 0.02 A 75 LEU HBy H 1 1.79 0.02 A 75 LEU HDx% H 1 0.94 0.02 A 75 LEU HDy% H 1 0.96 0.02 A 75 LEU HG H 1 1.57 0.02 A 75 LEU C C 13 176.5 0.2 A 75 LEU CA C 13 56.2 0.2 A 75 LEU CB C 13 43.1 0.2 A 75 LEU CDx C 13 24.4 0.02 A 75 LEU CDy C 13 25.8 0.02 A 75 LEU CG C 13 27.3 0.2 A 75 LEU N N 15 122.3 0.2 A 76 TYR H H 1 8.89 0.02 A 76 TYR HA H 1 4.66 0.02 A 76 TYR HBx H 1 2.49 0.02 A 76 TYR HBy H 1 2.56 0.02 A 76 TYR HDx H 1 6.82 0.02 A 76 TYR HDy H 1 6.82 0.02 A 76 TYR C C 13 173.4 0.2 A 76 TYR CA C 13 56.6 0.2 A 76 TYR CB C 13 39.6 0.2 A 76 TYR CDx C 13 133.1 0.02 A 76 TYR CDy C 13 133.1 0.02 A 76 TYR N N 15 129.0 0.2 A 77 ASN H H 1 8.25 0.02 A 77 ASN HA H 1 4.79 0.02 A 77 ASN HBx H 1 2.35 0.02 A 77 ASN HBy H 1 2.57 0.02 A 77 ASN HD2x H 1 6.68 0.02 A 77 ASN HD2y H 1 7.45 0.02 A 77 ASN CA C 13 50.2 0.2 A 77 ASN CB C 13 39.4 0.2 A 77 ASN N N 15 126.4 0.2 A 77 ASN ND2 N 15 111.9 0.2 A 78 PRO HA H 1 4.07 0.02 A 78 PRO HBx H 1 1.87 0.02 A 78 PRO HBy H 1 1.95 0.02 A 78 PRO HDx H 1 2.77 0.02 A 78 PRO HDy H 1 3.35 0.02 A 78 PRO HGx H 1 1.44 0.02 A 78 PRO HGy H 1 1.69 0.02 A 78 PRO C C 13 176.7 0.2 A 78 PRO CA C 13 63.0 0.2 A 78 PRO CB C 13 31.9 0.2 A 78 PRO CD C 13 50.2 0.2 A 78 PRO CG C 13 26.7 0.2 A 79 LYS H H 1 7.92 0.02 A 79 LYS HA H 1 4.13 0.02 A 79 LYS HBx H 1 1.66 0.02 A 79 LYS HBy H 1 1.77 0.02 A 79 LYS HDx H 1 1.61 0.02 A 79 LYS HDy H 1 1.61 0.02 A 79 LYS HEx H 1 2.93 0.02 A 79 LYS HEy H 1 2.93 0.02 A 79 LYS HGx H 1 1.29 0.02 A 79 LYS HGy H 1 1.36 0.02 A 79 LYS C C 13 176.6 0.2 A 79 LYS CA C 13 56.5 0.2 A 79 LYS CB C 13 32.3 0.2 A 79 LYS CD C 13 28.7 0.2 A 79 LYS CE C 13 42.0 0.2 A 79 LYS CG C 13 24.9 0.2 A 79 LYS N N 15 119.0 0.2 A 80 LEU H H 1 7.65 0.02 A 80 LEU HA H 1 4.22 0.02 A 80 LEU HBx H 1 1.48 0.02 A 80 LEU HBy H 1 1.48 0.02 A 80 LEU HDx% H 1 0.76 0.02 A 80 LEU HDy% H 1 0.85 0.02 A 80 LEU HG H 1 1.51 0.02 A 80 LEU C C 13 176.9 0.2 A 80 LEU CA C 13 54.9 0.2 A 80 LEU CB C 13 42.1 0.2 A 80 LEU CDx C 13 23.0 0.02 A 80 LEU CDy C 13 24.9 0.02 A 80 LEU CG C 13 27.5 0.2 A 80 LEU N N 15 121.4 0.2 A 81 GLU H H 1 8.16 0.02 A 81 GLU HA H 1 4.16 0.02 A 81 GLU HBx H 1 1.85 0.02 A 81 GLU HBy H 1 1.85 0.02 A 81 GLU HGx H 1 2.16 0.02 A 81 GLU HGy H 1 2.16 0.02 A 81 GLU CA C 13 56.4 0.2 A 81 GLU CB C 13 30.3 0.2 A 81 GLU CG C 13 36.1 0.2 A 81 GLU N N 15 121.3 0.2 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 undefined _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 27 CYS SG A 51 CYS SG 1.0 3.6 4.2 2 2 A 27 CYS SG A 54 CYS SG 1.0 3.6 4.2 3 3 A 27 CYS SG A 38 HIS ND1 1.0 3.1 4.0 4 4 A 51 CYS SG A 54 CYS SG 1.0 3.6 4.2 5 5 A 51 CYS SG A 38 HIS ND1 1.0 3.1 4.0 6 6 A 54 CYS SG A 38 HIS ND1 1.0 3.1 4.0 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 5 ASN HA A 6 ILE H 1.0 1.8 3.5 2 2 A 6 ILE H A 5 ASN H 1.0 1.8 5.0 3 3 A 6 ILE HA A 7 PRO HDx 1.0 1.8 3.9 4 3 A 6 ILE HA A 7 PRO HDy 1.0 1.8 3.9 5 4 A 6 ILE HD1% A 24 GLU HBx 1.0 1.8 5.0 6 4 A 6 ILE HD1% A 24 GLU HBy 1.0 1.8 5.0 7 5 A 6 ILE HG2% A 24 GLU HBx 1.0 1.8 5.0 8 5 A 24 GLU HBy A 6 ILE HG2% 1.0 1.8 5.0 9 6 A 7 PRO HBy A 22 VAL HGx% 1.0 1.8 5.0 10 6 A 7 PRO HBx A 22 VAL HGx% 1.0 1.8 5.0 11 6 A 22 VAL HGy% A 7 PRO HBx 1.0 1.8 5.0 12 6 A 7 PRO HBy A 22 VAL HGy% 1.0 1.8 5.0 13 7 A 7 PRO HDy A 22 VAL HGx% 1.0 1.8 5.0 14 7 A 7 PRO HDx A 22 VAL HGx% 1.0 1.8 5.0 15 7 A 22 VAL HGy% A 7 PRO HDx 1.0 1.8 5.0 16 7 A 7 PRO HDy A 22 VAL HGy% 1.0 1.8 5.0 17 8 A 7 PRO HGy A 22 VAL HGx% 1.0 1.8 5.0 18 8 A 7 PRO HGx A 22 VAL HGx% 1.0 1.8 5.0 19 8 A 22 VAL HGy% A 7 PRO HGx 1.0 1.8 5.0 20 8 A 22 VAL HGy% A 7 PRO HGy 1.0 1.8 5.0 21 9 A 22 VAL HGy% A 7 PRO HGx 1.0 1.8 5.0 22 9 A 22 VAL HGy% A 7 PRO HGy 1.0 1.8 5.0 23 10 A 8 HIS HA A 9 PHE H 1.0 1.8 3.5 24 11 A 8 HIS HBx A 28 VAL HGx% 1.0 1.8 5.0 25 11 A 8 HIS HBy A 28 VAL HGx% 1.0 1.8 5.0 26 11 A 28 VAL HGy% A 8 HIS HBx 1.0 1.8 5.0 27 11 A 8 HIS HBy A 28 VAL HGy% 1.0 1.8 5.0 28 12 A 8 HIS HBx A 76 TYR HBx 1.0 1.8 5.0 29 12 A 8 HIS HBy A 76 TYR HBx 1.0 1.8 5.0 30 12 A 76 TYR HBy A 8 HIS HBx 1.0 1.8 5.0 31 12 A 8 HIS HBy A 76 TYR HBy 1.0 1.8 5.0 32 13 A 76 TYR HD% A 8 HIS HBx 1.0 1.8 5.0 33 13 A 8 HIS HBy A 76 TYR HD% 1.0 1.8 5.0 34 14 A 9 PHE HA A 10 GLN H 1.0 1.8 3.5 35 15 A 9 PHE HA A 75 LEU HA 1.0 1.8 3.0 36 16 A 9 PHE HA A 75 LEU HDx% 1.0 1.8 5.0 37 16 A 9 PHE HA A 75 LEU HDy% 1.0 1.8 5.0 38 17 A 9 PHE HA A 76 TYR HBx 1.0 1.8 5.0 39 17 A 76 TYR HBy A 9 PHE HA 1.0 1.8 5.0 40 18 A 9 PHE HA A 76 TYR H 1.0 1.8 4.0 41 19 A 10 GLN H A 9 PHE HD% 1.0 1.8 5.0 42 20 A 9 PHE HD% A 20 ILE HG2% 1.0 1.8 5.0 43 21 A 9 PHE HD% A 69 THR HG2% 1.0 1.8 5.0 44 22 A 9 PHE HD% A 74 CYS HBx 1.0 1.8 5.0 45 22 A 9 PHE HD% A 74 CYS HBy 1.0 1.8 5.0 46 23 A 9 PHE HD% A 75 LEU HDx% 1.0 1.8 5.0 47 23 A 75 LEU HDy% A 9 PHE HD% 1.0 1.8 5.0 48 24 A 75 LEU HDy% A 9 PHE HD% 1.0 1.8 5.0 49 25 A 9 PHE H A 28 VAL HGx% 1.0 1.8 5.0 50 25 A 9 PHE H A 28 VAL HGy% 1.0 1.8 5.0 51 26 A 10 GLN HA A 11 ASN H 1.0 1.8 3.5 52 27 A 74 CYS HA A 10 GLN HE2x 1.0 1.8 5.0 53 27 A 10 GLN HE2y A 74 CYS HA 1.0 1.8 5.0 54 28 A 11 ASN H A 10 GLN HGx 1.0 1.8 5.0 55 28 A 11 ASN H A 10 GLN HGy 1.0 1.8 5.0 56 29 A 10 GLN HGx A 74 CYS HBx 1.0 1.8 5.0 57 29 A 10 GLN HGy A 74 CYS HBx 1.0 1.8 5.0 58 29 A 74 CYS HBy A 10 GLN HGx 1.0 1.8 5.0 59 29 A 74 CYS HBy A 10 GLN HGy 1.0 1.8 5.0 60 30 A 74 CYS H A 10 GLN HGx 1.0 1.8 5.0 61 30 A 10 GLN HGy A 74 CYS H 1.0 1.8 5.0 62 31 A 10 GLN HGy A 75 LEU HDx% 1.0 1.8 5.0 63 31 A 10 GLN HGx A 75 LEU HDx% 1.0 1.8 5.0 64 32 A 75 LEU HDy% A 10 GLN HGy 1.0 1.8 5.0 65 32 A 75 LEU HDy% A 10 GLN HGx 1.0 1.8 5.0 66 33 A 10 GLN H A 74 CYS HBx 1.0 1.8 5.0 67 33 A 10 GLN H A 74 CYS HBy 1.0 1.8 5.0 68 34 A 10 GLN H A 75 LEU HA 1.0 1.8 4.0 69 35 A 10 GLN H A 76 TYR HBx 1.0 1.8 5.0 70 35 A 76 TYR HBy A 10 GLN H 1.0 1.8 5.0 71 36 A 11 ASN HA A 12 ASP H 1.0 1.8 3.5 72 37 A 11 ASN HBy A 13 LEU HDx% 1.0 1.8 5.0 73 37 A 11 ASN HBx A 13 LEU HDx% 1.0 1.8 5.0 74 37 A 13 LEU HDy% A 11 ASN HBx 1.0 1.8 5.0 75 37 A 11 ASN HBy A 13 LEU HDy% 1.0 1.8 5.0 76 38 A 12 ASP H A 13 LEU HG 1.0 1.8 5.0 77 39 A 12 ASP H A 13 LEU H 1.0 1.8 5.0 78 40 A 13 LEU H A 14 GLY H 1.0 1.8 5.0 79 41 A 14 GLY H A 15 TYR H 1.0 1.8 5.0 80 42 A 15 TYR HA A 16 LYS H 1.0 1.8 3.5 81 43 A 17 ILE H A 15 TYR HBx 1.0 1.8 5.0 82 43 A 15 TYR HBy A 17 ILE H 1.0 1.8 5.0 83 44 A 18 ILE HD1% A 15 TYR HBx 1.0 1.8 5.0 84 44 A 15 TYR HBy A 18 ILE HD1% 1.0 1.8 5.0 85 45 A 15 TYR HBx A 18 ILE HG1x 1.0 1.8 5.0 86 45 A 18 ILE HG1y A 15 TYR HBx 1.0 1.8 5.0 87 45 A 15 TYR HBy A 18 ILE HG1y 1.0 1.8 5.0 88 45 A 15 TYR HBy A 18 ILE HG1x 1.0 1.8 5.0 89 46 A 56 THR HG2% A 15 TYR HBx 1.0 1.8 5.0 90 46 A 15 TYR HBy A 56 THR HG2% 1.0 1.8 5.0 91 47 A 16 LYS H A 15 TYR HD% 1.0 1.8 5.0 92 48 A 18 ILE HD1% A 15 TYR HD% 1.0 1.8 5.0 93 49 A 56 THR HG2% A 15 TYR HD% 1.0 1.8 5.0 94 50 A 16 LYS HA A 18 ILE HG1x 1.0 1.8 5.0 95 50 A 18 ILE HG1y A 16 LYS HA 1.0 1.8 5.0 96 51 A 16 LYS HA A 56 THR HA 1.0 1.8 5.0 97 52 A 56 THR HG2% A 16 LYS HA 1.0 1.8 5.0 98 53 A 16 LYS H A 17 ILE H 1.0 1.8 3.5 99 54 A 17 ILE HA A 18 ILE H 1.0 1.8 2.9 100 55 A 56 THR HG2% A 17 ILE HA 1.0 1.8 5.0 101 56 A 17 ILE HA A 57 LEU HBx 1.0 1.8 5.0 102 56 A 17 ILE HA A 57 LEU HBy 1.0 1.8 5.0 103 57 A 17 ILE HA A 57 LEU H 1.0 1.8 4.0 104 58 A 17 ILE HG1x A 57 LEU HBx 1.0 1.8 5.0 105 58 A 17 ILE HG1y A 57 LEU HBx 1.0 1.8 5.0 106 58 A 57 LEU HBy A 17 ILE HG1x 1.0 1.8 5.0 107 58 A 57 LEU HBy A 17 ILE HG1y 1.0 1.8 5.0 108 59 A 18 ILE H A 17 ILE HG2% 1.0 1.8 5.0 109 60 A 17 ILE HG2% A 19 GLU HGx 1.0 1.8 5.0 110 60 A 17 ILE HG2% A 19 GLU HGy 1.0 1.8 5.0 111 61 A 17 ILE HG2% A 57 LEU HBx 1.0 1.8 5.0 112 61 A 57 LEU HBy A 17 ILE HG2% 1.0 1.8 5.0 113 62 A 17 ILE HG2% A 57 LEU HG 1.0 1.8 5.0 114 63 A 17 ILE HG2% A 58 TYR HA 1.0 1.8 5.0 115 64 A 17 ILE HG2% A 59 ARG HBx 1.0 1.8 5.0 116 64 A 17 ILE HG2% A 59 ARG HBy 1.0 1.8 5.0 117 65 A 17 ILE HG2% A 59 ARG HDx 1.0 1.8 5.0 118 65 A 17 ILE HG2% A 59 ARG HDy 1.0 1.8 5.0 119 66 A 18 ILE HA A 19 GLU H 1.0 1.8 3.5 120 67 A 18 ILE HA A 71 PRO HDx 1.0 1.8 5.0 121 67 A 18 ILE HA A 71 PRO HDy 1.0 1.8 5.0 122 68 A 58 TYR HA A 18 ILE HB 1.0 1.8 5.0 123 69 A 18 ILE HD1% A 56 THR HG2% 1.0 1.8 5.0 124 70 A 18 ILE HD1% A 58 TYR HD% 1.0 1.8 5.0 125 71 A 18 ILE HD1% A 74 CYS HBx 1.0 1.8 5.0 126 71 A 74 CYS HBy A 18 ILE HD1% 1.0 1.8 5.0 127 72 A 56 THR HG2% A 18 ILE HG1x 1.0 1.8 5.0 128 72 A 18 ILE HG1y A 56 THR HG2% 1.0 1.8 5.0 129 73 A 19 GLU H A 18 ILE HG2% 1.0 1.8 5.0 130 74 A 20 ILE HG2% A 18 ILE HG2% 1.0 1.8 5.0 131 75 A 69 THR HG2% A 18 ILE HG2% 1.0 1.8 5.0 132 76 A 18 ILE HG2% A 70 ASN H 1.0 1.8 5.0 133 77 A 18 ILE HG2% A 71 PRO HDx 1.0 1.8 5.0 134 77 A 71 PRO HDy A 18 ILE HG2% 1.0 1.8 5.0 135 78 A 18 ILE HG2% A 74 CYS HBx 1.0 1.8 5.0 136 78 A 74 CYS HBy A 18 ILE HG2% 1.0 1.8 5.0 137 79 A 56 THR HG2% A 18 ILE H 1.0 1.8 5.0 138 80 A 18 ILE H A 56 THR H 1.0 1.8 5.0 139 81 A 18 ILE H A 57 LEU HBx 1.0 1.8 5.0 140 81 A 18 ILE H A 57 LEU HBy 1.0 1.8 5.0 141 82 A 18 ILE H A 58 TYR HA 1.0 1.8 4.0 142 83 A 19 GLU HA A 20 ILE H 1.0 1.8 3.5 143 84 A 19 GLU HA A 59 ARG HBx 1.0 1.8 5.0 144 84 A 59 ARG HBy A 19 GLU HA 1.0 1.8 5.0 145 85 A 19 GLU HA A 59 ARG H 1.0 1.8 4.0 146 86 A 19 GLU HA A 64 LEU HDx% 1.0 1.8 5.0 147 86 A 19 GLU HA A 64 LEU HDy% 1.0 1.8 5.0 148 87 A 19 GLU HBy A 64 LEU HDx% 1.0 1.8 5.0 149 87 A 64 LEU HDy% A 19 GLU HBx 1.0 1.8 5.0 150 87 A 64 LEU HDy% A 19 GLU HBy 1.0 1.8 5.0 151 87 A 19 GLU HBx A 64 LEU HDx% 1.0 1.8 5.0 152 88 A 19 GLU HBy A 70 ASN HBx 1.0 1.8 5.0 153 88 A 70 ASN HBy A 19 GLU HBx 1.0 1.8 5.0 154 88 A 19 GLU HBy A 70 ASN HBy 1.0 1.8 5.0 155 88 A 19 GLU HBx A 70 ASN HBx 1.0 1.8 5.0 156 89 A 70 ASN H A 19 GLU HBx 1.0 1.8 5.0 157 89 A 70 ASN H A 19 GLU HBy 1.0 1.8 5.0 158 90 A 19 GLU HGx A 64 LEU HDx% 1.0 1.8 5.0 159 90 A 19 GLU HGy A 64 LEU HDx% 1.0 1.8 5.0 160 90 A 64 LEU HDy% A 19 GLU HGx 1.0 1.8 5.0 161 90 A 19 GLU HGy A 64 LEU HDy% 1.0 1.8 5.0 162 91 A 19 GLU H A 70 ASN HBx 1.0 1.8 5.0 163 91 A 19 GLU H A 70 ASN HBy 1.0 1.8 5.0 164 92 A 19 GLU H A 71 PRO HDx 1.0 1.8 5.0 165 92 A 19 GLU H A 71 PRO HDy 1.0 1.8 5.0 166 93 A 20 ILE HA A 22 VAL HGx% 1.0 1.8 5.0 167 93 A 22 VAL HGy% A 20 ILE HA 1.0 1.8 5.0 168 94 A 20 ILE HA A 64 LEU HDx% 1.0 1.8 5.0 169 94 A 64 LEU HDy% A 20 ILE HA 1.0 1.8 5.0 170 95 A 20 ILE HA A 69 THR HA 1.0 1.8 5.0 171 96 A 69 THR HG2% A 20 ILE HA 1.0 1.8 5.0 172 97 A 70 ASN H A 20 ILE HA 1.0 1.8 5.0 173 98 A 20 ILE HB A 21 GLY H 1.0 1.8 5.0 174 99 A 20 ILE HB A 22 VAL HGx% 1.0 1.8 5.0 175 99 A 22 VAL HGy% A 20 ILE HB 1.0 1.8 5.0 176 100 A 20 ILE HB A 22 VAL H 1.0 1.8 5.0 177 101 A 20 ILE HD1% A 22 VAL HGx% 1.0 1.8 5.0 178 101 A 22 VAL HGy% A 20 ILE HD1% 1.0 1.8 5.0 179 102 A 22 VAL HGy% A 20 ILE HD1% 1.0 1.8 5.0 180 103 A 22 VAL H A 20 ILE HD1% 1.0 1.8 5.0 181 104 A 20 ILE HD1% A 25 PHE HD% 1.0 1.8 5.0 182 105 A 20 ILE HD1% A 43 MET HE% 1.0 1.8 5.0 183 106 A 20 ILE HD1% A 58 TYR HBx 1.0 1.8 5.0 184 106 A 20 ILE HD1% A 58 TYR HBy 1.0 1.8 5.0 185 107 A 58 TYR HD% A 20 ILE HD1% 1.0 1.8 5.0 186 108 A 21 GLY H A 20 ILE HG1x 1.0 1.8 5.0 187 108 A 21 GLY H A 20 ILE HG1y 1.0 1.8 5.0 188 109 A 22 VAL H A 20 ILE HG1x 1.0 1.8 5.0 189 109 A 22 VAL H A 20 ILE HG1y 1.0 1.8 5.0 190 110 A 43 MET HE% A 20 ILE HG1x 1.0 1.8 5.0 191 110 A 43 MET HE% A 20 ILE HG1y 1.0 1.8 5.0 192 111 A 20 ILE HG2% A 21 GLY H 1.0 1.8 5.0 193 112 A 20 ILE HG2% A 22 VAL HGx% 1.0 1.8 5.0 194 112 A 22 VAL HGy% A 20 ILE HG2% 1.0 1.8 5.0 195 113 A 20 ILE HG2% A 25 PHE HD% 1.0 1.8 5.0 196 114 A 20 ILE HG2% A 58 TYR HBx 1.0 1.8 5.0 197 114 A 20 ILE HG2% A 58 TYR HBy 1.0 1.8 5.0 198 115 A 20 ILE HG2% A 58 TYR HD% 1.0 1.8 5.0 199 116 A 20 ILE HG2% A 69 THR HA 1.0 1.8 5.0 200 117 A 20 ILE HG2% A 69 THR HB 1.0 1.8 5.0 201 118 A 20 ILE HG2% A 69 THR HG2% 1.0 1.8 5.0 202 119 A 20 ILE H A 60 TYR HA 1.0 1.8 4.0 203 120 A 20 ILE H A 64 LEU HDx% 1.0 1.8 5.0 204 120 A 20 ILE H A 64 LEU HDy% 1.0 1.8 5.0 205 121 A 21 GLY HAx A 64 LEU HBx 1.0 1.8 5.0 206 121 A 21 GLY HAy A 64 LEU HBx 1.0 1.8 5.0 207 121 A 64 LEU HBy A 21 GLY HAx 1.0 1.8 5.0 208 121 A 21 GLY HAy A 64 LEU HBy 1.0 1.8 5.0 209 122 A 21 GLY HAx A 64 LEU HDx% 1.0 1.8 5.0 210 122 A 21 GLY HAy A 64 LEU HDx% 1.0 1.8 5.0 211 122 A 64 LEU HDy% A 21 GLY HAx 1.0 1.8 5.0 212 122 A 64 LEU HDy% A 21 GLY HAy 1.0 1.8 5.0 213 123 A 21 GLY H A 22 VAL H 1.0 1.8 5.0 214 124 A 21 GLY H A 64 LEU HDx% 1.0 1.8 5.0 215 124 A 64 LEU HDy% A 21 GLY H 1.0 1.8 5.0 216 125 A 22 VAL HA A 23 LYS H 1.0 1.8 3.5 217 126 A 23 LYS H A 22 VAL HB 1.0 1.8 5.0 218 127 A 22 VAL HB A 24 GLU H 1.0 1.8 5.0 219 128 A 23 LYS H A 22 VAL HGx% 1.0 1.8 5.0 220 129 A 24 GLU H A 22 VAL HGx% 1.0 1.8 5.0 221 130 A 22 VAL HGy% A 23 LYS H 1.0 1.8 5.0 222 131 A 22 VAL HGy% A 24 GLU H 1.0 1.8 5.0 223 132 A 25 PHE HA A 22 VAL HGx% 1.0 1.8 5.0 224 132 A 22 VAL HGy% A 25 PHE HA 1.0 1.8 5.0 225 133 A 22 VAL HGx% A 25 PHE HBx 1.0 1.8 5.0 226 133 A 22 VAL HGy% A 25 PHE HBx 1.0 1.8 5.0 227 133 A 25 PHE HBy A 22 VAL HGx% 1.0 1.8 5.0 228 133 A 22 VAL HGy% A 25 PHE HBy 1.0 1.8 5.0 229 134 A 25 PHE HD% A 22 VAL HGx% 1.0 1.8 5.0 230 134 A 22 VAL HGy% A 25 PHE HD% 1.0 1.8 5.0 231 135 A 66 TYR HA A 22 VAL HGx% 1.0 1.8 5.0 232 135 A 22 VAL HGy% A 66 TYR HA 1.0 1.8 5.0 233 136 A 22 VAL HGx% A 66 TYR HBx 1.0 1.8 5.0 234 136 A 22 VAL HGy% A 66 TYR HBx 1.0 1.8 5.0 235 136 A 66 TYR HBy A 22 VAL HGx% 1.0 1.8 5.0 236 136 A 22 VAL HGy% A 66 TYR HBy 1.0 1.8 5.0 237 137 A 66 TYR HD% A 22 VAL HGx% 1.0 1.8 5.0 238 137 A 22 VAL HGy% A 66 TYR HD% 1.0 1.8 5.0 239 138 A 66 TYR HE% A 22 VAL HGx% 1.0 1.8 5.0 240 138 A 22 VAL HGy% A 66 TYR HE% 1.0 1.8 5.0 241 139 A 60 TYR HD% A 23 LYS HEx 1.0 1.8 5.0 242 139 A 23 LYS HEy A 60 TYR HD% 1.0 1.8 5.0 243 140 A 23 LYS HGx A 43 MET HGx 1.0 1.8 5.0 244 140 A 43 MET HGy A 23 LYS HGx 1.0 1.8 5.0 245 140 A 23 LYS HGy A 43 MET HGy 1.0 1.8 5.0 246 140 A 23 LYS HGy A 43 MET HGx 1.0 1.8 5.0 247 141 A 23 LYS HGy A 60 TYR HBx 1.0 1.8 5.0 248 141 A 23 LYS HGx A 60 TYR HBx 1.0 1.8 5.0 249 141 A 60 TYR HBy A 23 LYS HGx 1.0 1.8 5.0 250 141 A 23 LYS HGy A 60 TYR HBy 1.0 1.8 5.0 251 142 A 60 TYR HD% A 23 LYS HGx 1.0 1.8 5.0 252 142 A 60 TYR HD% A 23 LYS HGy 1.0 1.8 5.0 253 143 A 23 LYS H A 24 GLU HBx 1.0 1.8 5.0 254 143 A 24 GLU HBy A 23 LYS H 1.0 1.8 5.0 255 144 A 23 LYS H A 24 GLU HGx 1.0 1.8 5.0 256 144 A 23 LYS H A 24 GLU HGy 1.0 1.8 5.0 257 145 A 23 LYS H A 24 GLU H 1.0 1.8 3.5 258 146 A 24 GLU HA A 25 PHE H 1.0 1.8 2.9 259 147 A 24 GLU HA A 42 ASP HA 1.0 1.8 3.0 260 148 A 24 GLU HA A 43 MET H 1.0 1.8 4.0 261 149 A 24 GLU H A 25 PHE HBx 1.0 1.8 5.0 262 149 A 24 GLU H A 25 PHE HBy 1.0 1.8 5.0 263 150 A 25 PHE HD% A 41 ILE HB 1.0 1.8 5.0 264 151 A 25 PHE H A 41 ILE H 1.0 1.8 4.0 265 152 A 25 PHE H A 42 ASP HA 1.0 1.8 4.0 266 153 A 26 MET HA A 40 PHE HA 1.0 1.8 3.0 267 154 A 41 ILE H A 26 MET HA 1.0 1.8 4.0 268 155 A 26 MET HE% A 37 PRO HBx 1.0 1.8 5.0 269 155 A 26 MET HE% A 37 PRO HBy 1.0 1.8 5.0 270 156 A 26 MET HE% A 38 HIS HBx 1.0 1.8 5.0 271 156 A 26 MET HE% A 38 HIS HBy 1.0 1.8 5.0 272 157 A 26 MET HE% A 39 ILE HD1% 1.0 1.8 5.0 273 158 A 26 MET HE% A 39 ILE HG1x 1.0 1.8 5.0 274 158 A 26 MET HE% A 39 ILE HG1y 1.0 1.8 5.0 275 159 A 26 MET HE% A 39 ILE H 1.0 1.8 5.0 276 160 A 26 MET HE% A 40 PHE HBx 1.0 1.8 5.0 277 160 A 26 MET HE% A 40 PHE HBy 1.0 1.8 5.0 278 161 A 26 MET HE% A 40 PHE HD% 1.0 1.8 5.0 279 162 A 26 MET HE% A 40 PHE H 1.0 1.8 5.0 280 163 A 41 ILE H A 26 MET HGx 1.0 1.8 5.0 281 163 A 41 ILE H A 26 MET HGy 1.0 1.8 5.0 282 164 A 39 ILE HG2% A 27 CYS HBx 1.0 1.8 5.0 283 164 A 27 CYS HBy A 39 ILE HG2% 1.0 1.8 5.0 284 165 A 39 ILE H A 27 CYS HBx 1.0 1.8 5.0 285 165 A 39 ILE H A 27 CYS HBy 1.0 1.8 5.0 286 166 A 41 ILE HD1% A 27 CYS HBx 1.0 1.8 5.0 287 166 A 27 CYS HBy A 41 ILE HD1% 1.0 1.8 5.0 288 167 A 76 TYR HBy A 28 VAL HGx% 1.0 1.8 5.0 289 167 A 28 VAL HGx% A 76 TYR HBx 1.0 1.8 5.0 290 168 A 76 TYR HD% A 28 VAL HGx% 1.0 1.8 5.0 291 169 A 28 VAL HGy% A 76 TYR HBy 1.0 1.8 5.0 292 169 A 28 VAL HGy% A 76 TYR HBx 1.0 1.8 5.0 293 170 A 28 VAL HGy% A 76 TYR HD% 1.0 1.8 5.0 294 171 A 34 PHE H A 33 PRO HDx 1.0 1.8 5.0 295 171 A 33 PRO HDy A 34 PHE H 1.0 1.8 5.0 296 172 A 34 PHE HBy A 39 ILE HG1x 1.0 1.8 5.0 297 172 A 34 PHE HBx A 39 ILE HG1x 1.0 1.8 5.0 298 172 A 39 ILE HG1y A 34 PHE HBx 1.0 1.8 5.0 299 172 A 39 ILE HG1y A 34 PHE HBy 1.0 1.8 5.0 300 173 A 34 PHE HD% A 38 HIS HBx 1.0 1.8 5.0 301 173 A 38 HIS HBy A 34 PHE HD% 1.0 1.8 5.0 302 174 A 37 PRO HA A 38 HIS H 1.0 1.8 3.5 303 175 A 39 ILE H A 38 HIS HA 1.0 1.8 3.5 304 176 A 40 PHE H A 39 ILE HA 1.0 1.8 3.5 305 177 A 40 PHE H A 39 ILE HB 1.0 1.8 5.0 306 178 A 39 ILE HD1% A 40 PHE H 1.0 1.8 5.0 307 179 A 39 ILE HD1% A 53 TYR HD% 1.0 1.8 5.0 308 180 A 40 PHE H A 39 ILE HG1x 1.0 1.8 5.0 309 180 A 39 ILE HG1y A 40 PHE H 1.0 1.8 5.0 310 181 A 40 PHE H A 39 ILE HG2% 1.0 1.8 5.0 311 182 A 39 ILE HG2% A 41 ILE HD1% 1.0 1.8 5.0 312 183 A 39 ILE HG2% A 41 ILE HG1x 1.0 1.8 5.0 313 183 A 39 ILE HG2% A 41 ILE HG1y 1.0 1.8 5.0 314 184 A 39 ILE HG2% A 52 PRO HDx 1.0 1.8 5.0 315 184 A 39 ILE HG2% A 52 PRO HDy 1.0 1.8 5.0 316 185 A 39 ILE HG2% A 53 TYR HD% 1.0 1.8 5.0 317 186 A 41 ILE H A 40 PHE HA 1.0 1.8 3.5 318 187 A 41 ILE HA A 42 ASP H 1.0 1.8 2.9 319 188 A 41 ILE HB A 42 ASP H 1.0 1.8 5.0 320 189 A 58 TYR HD% A 41 ILE HB 1.0 1.8 5.0 321 190 A 41 ILE HD1% A 49 LYS HBy 1.0 1.8 5.0 322 190 A 41 ILE HD1% A 49 LYS HBx 1.0 1.8 5.0 323 191 A 41 ILE HD1% A 49 LYS HDx 1.0 1.8 5.0 324 191 A 41 ILE HD1% A 49 LYS HDy 1.0 1.8 5.0 325 192 A 41 ILE HD1% A 51 CYS HBx 1.0 1.8 5.0 326 192 A 41 ILE HD1% A 51 CYS HBy 1.0 1.8 5.0 327 193 A 41 ILE HD1% A 52 PRO HDx 1.0 1.8 5.0 328 193 A 41 ILE HD1% A 52 PRO HDy 1.0 1.8 5.0 329 194 A 42 ASP H A 41 ILE HG1x 1.0 1.8 5.0 330 194 A 41 ILE HG1y A 42 ASP H 1.0 1.8 5.0 331 195 A 41 ILE HG1y A 52 PRO HDx 1.0 1.8 5.0 332 195 A 41 ILE HG1x A 52 PRO HDx 1.0 1.8 5.0 333 195 A 52 PRO HDy A 41 ILE HG1x 1.0 1.8 5.0 334 195 A 41 ILE HG1y A 52 PRO HDy 1.0 1.8 5.0 335 196 A 42 ASP H A 41 ILE HG2% 1.0 1.8 5.0 336 197 A 41 ILE HG2% A 43 MET HA 1.0 1.8 5.0 337 198 A 43 MET HE% A 41 ILE HG2% 1.0 1.8 5.0 338 199 A 41 ILE HG2% A 43 MET HGx 1.0 1.8 5.0 339 199 A 43 MET HGy A 41 ILE HG2% 1.0 1.8 5.0 340 200 A 41 ILE HG2% A 49 LYS HBy 1.0 1.8 5.0 341 200 A 49 LYS HBx A 41 ILE HG2% 1.0 1.8 5.0 342 201 A 41 ILE HG2% A 49 LYS HDx 1.0 1.8 5.0 343 201 A 49 LYS HDy A 41 ILE HG2% 1.0 1.8 5.0 344 202 A 41 ILE HG2% A 49 LYS HEx 1.0 1.8 5.0 345 202 A 41 ILE HG2% A 49 LYS HEy 1.0 1.8 5.0 346 203 A 41 ILE HG2% A 49 LYS HGx 1.0 1.8 5.0 347 203 A 41 ILE HG2% A 49 LYS HGy 1.0 1.8 5.0 348 204 A 58 TYR HD% A 41 ILE HG2% 1.0 1.8 5.0 349 205 A 42 ASP HA A 43 MET H 1.0 1.8 3.5 350 206 A 44 GLY H A 42 ASP HBx 1.0 1.8 5.0 351 206 A 42 ASP HBy A 44 GLY H 1.0 1.8 5.0 352 207 A 42 ASP H A 49 LYS HDx 1.0 1.8 5.0 353 207 A 42 ASP H A 49 LYS HDy 1.0 1.8 5.0 354 208 A 43 MET HA A 49 LYS HBy 1.0 1.8 5.0 355 208 A 49 LYS HBx A 43 MET HA 1.0 1.8 5.0 356 209 A 49 LYS HBx A 43 MET HA 1.0 1.8 5.0 357 210 A 43 MET HA A 49 LYS HDx 1.0 1.8 5.0 358 210 A 49 LYS HDy A 43 MET HA 1.0 1.8 5.0 359 211 A 43 MET HA A 49 LYS HEx 1.0 1.8 5.0 360 211 A 43 MET HA A 49 LYS HEy 1.0 1.8 5.0 361 212 A 43 MET HA A 49 LYS HGx 1.0 1.8 5.0 362 212 A 43 MET HA A 49 LYS HGy 1.0 1.8 5.0 363 213 A 43 MET HE% A 48 GLU HA 1.0 1.8 5.0 364 214 A 43 MET HE% A 49 LYS H 1.0 1.8 5.0 365 215 A 58 TYR HD% A 43 MET HE% 1.0 1.8 5.0 366 216 A 43 MET HE% A 59 ARG HA 1.0 1.8 5.0 367 217 A 59 ARG H A 43 MET HE% 1.0 1.8 5.0 368 218 A 43 MET HE% A 60 TYR HBx 1.0 1.8 5.0 369 218 A 43 MET HE% A 60 TYR HBy 1.0 1.8 5.0 370 219 A 43 MET HE% A 60 TYR HD% 1.0 1.8 5.0 371 220 A 43 MET HE% A 60 TYR H 1.0 1.8 5.0 372 221 A 43 MET HGy A 49 LYS HBy 1.0 1.8 5.0 373 221 A 43 MET HGx A 49 LYS HBy 1.0 1.8 5.0 374 221 A 49 LYS HBx A 43 MET HGx 1.0 1.8 5.0 375 221 A 43 MET HGy A 49 LYS HBx 1.0 1.8 5.0 376 222 A 43 MET HGy A 49 LYS HDx 1.0 1.8 5.0 377 222 A 43 MET HGx A 49 LYS HDx 1.0 1.8 5.0 378 222 A 49 LYS HDy A 43 MET HGx 1.0 1.8 5.0 379 222 A 43 MET HGy A 49 LYS HDy 1.0 1.8 5.0 380 223 A 43 MET HGy A 49 LYS HGx 1.0 1.8 5.0 381 223 A 49 LYS HGy A 43 MET HGx 1.0 1.8 5.0 382 223 A 43 MET HGy A 49 LYS HGy 1.0 1.8 5.0 383 223 A 43 MET HGx A 49 LYS HGx 1.0 1.8 5.0 384 224 A 45 SER H A 46 THR H 1.0 1.8 5.0 385 225 A 46 THR HA A 47 ASP H 1.0 1.8 3.5 386 226 A 47 ASP H A 46 THR HB 1.0 1.8 5.0 387 227 A 46 THR HB A 48 GLU H 1.0 1.8 5.0 388 228 A 47 ASP H A 46 THR HG2% 1.0 1.8 5.0 389 229 A 48 GLU H A 46 THR HG2% 1.0 1.8 5.0 390 230 A 47 ASP HA A 60 TYR HBx 1.0 1.8 5.0 391 230 A 60 TYR HBy A 47 ASP HA 1.0 1.8 5.0 392 231 A 47 ASP H A 48 GLU HGx 1.0 1.8 5.0 393 231 A 47 ASP H A 48 GLU HGy 1.0 1.8 5.0 394 232 A 47 ASP H A 48 GLU H 1.0 1.8 3.5 395 233 A 48 GLU HA A 49 LYS H 1.0 1.8 2.9 396 234 A 48 GLU HA A 57 LEU HDx% 1.0 1.8 5.0 397 234 A 48 GLU HA A 57 LEU HDy% 1.0 1.8 5.0 398 235 A 48 GLU HA A 59 ARG HA 1.0 1.8 3.0 399 236 A 48 GLU HA A 59 ARG HBx 1.0 1.8 5.0 400 236 A 59 ARG HBy A 48 GLU HA 1.0 1.8 5.0 401 237 A 48 GLU HA A 59 ARG HGx 1.0 1.8 5.0 402 237 A 48 GLU HA A 59 ARG HGy 1.0 1.8 5.0 403 238 A 48 GLU HA A 60 TYR H 1.0 1.8 4.0 404 239 A 48 GLU HBx A 57 LEU HDx% 1.0 1.8 5.0 405 239 A 48 GLU HBy A 57 LEU HDx% 1.0 1.8 5.0 406 239 A 57 LEU HDy% A 48 GLU HBx 1.0 1.8 5.0 407 239 A 57 LEU HDy% A 48 GLU HBy 1.0 1.8 5.0 408 240 A 59 ARG HA A 48 GLU HBx 1.0 1.8 5.0 409 240 A 59 ARG HA A 48 GLU HBy 1.0 1.8 5.0 410 241 A 59 ARG HA A 48 GLU HBx 1.0 1.8 5.0 411 241 A 59 ARG HA A 48 GLU HBy 1.0 1.8 5.0 412 242 A 60 TYR H A 48 GLU HBx 1.0 1.8 5.0 413 242 A 60 TYR H A 48 GLU HBy 1.0 1.8 5.0 414 243 A 49 LYS HA A 50 ILE H 1.0 1.8 2.9 415 244 A 50 ILE H A 49 LYS HDx 1.0 1.8 5.0 416 244 A 49 LYS HDy A 50 ILE H 1.0 1.8 5.0 417 245 A 50 ILE H A 49 LYS HGx 1.0 1.8 5.0 418 245 A 49 LYS HGy A 50 ILE H 1.0 1.8 5.0 419 246 A 49 LYS H A 57 LEU HDx% 1.0 1.8 5.0 420 246 A 49 LYS H A 57 LEU HDy% 1.0 1.8 5.0 421 247 A 49 LYS H A 58 TYR HBx 1.0 1.8 5.0 422 247 A 58 TYR HBy A 49 LYS H 1.0 1.8 5.0 423 248 A 49 LYS H A 58 TYR H 1.0 1.8 4.0 424 249 A 49 LYS H A 59 ARG HA 1.0 1.8 4.0 425 250 A 50 ILE HA A 51 CYS H 1.0 1.8 3.5 426 251 A 50 ILE HA A 57 LEU HA 1.0 1.8 3.0 427 252 A 50 ILE HA A 57 LEU HDx% 1.0 1.8 5.0 428 252 A 57 LEU HDy% A 50 ILE HA 1.0 1.8 5.0 429 253 A 57 LEU HG A 50 ILE HA 1.0 1.8 5.0 430 254 A 58 TYR H A 50 ILE HA 1.0 1.8 4.0 431 255 A 51 CYS H A 50 ILE HB 1.0 1.8 5.0 432 256 A 51 CYS H A 50 ILE HD1% 1.0 1.8 5.0 433 257 A 51 CYS H A 50 ILE HG1x 1.0 1.8 5.0 434 257 A 51 CYS H A 50 ILE HG1y 1.0 1.8 5.0 435 258 A 55 SER H A 50 ILE HG1x 1.0 1.8 5.0 436 258 A 50 ILE HG1y A 55 SER H 1.0 1.8 5.0 437 259 A 57 LEU HA A 50 ILE HG1x 1.0 1.8 5.0 438 259 A 57 LEU HA A 50 ILE HG1y 1.0 1.8 5.0 439 260 A 57 LEU HA A 50 ILE HG1x 1.0 1.8 5.0 440 260 A 57 LEU HA A 50 ILE HG1y 1.0 1.8 5.0 441 261 A 51 CYS H A 50 ILE HG2% 1.0 1.8 5.0 442 262 A 50 ILE HG2% A 52 PRO HA 1.0 1.8 5.0 443 263 A 55 SER H A 50 ILE HG2% 1.0 1.8 5.0 444 264 A 54 CYS H A 51 CYS HBx 1.0 1.8 5.0 445 264 A 51 CYS HBy A 54 CYS H 1.0 1.8 5.0 446 265 A 55 SER H A 51 CYS HBx 1.0 1.8 5.0 447 265 A 51 CYS HBy A 55 SER H 1.0 1.8 5.0 448 266 A 56 THR H A 51 CYS HBx 1.0 1.8 5.0 449 266 A 56 THR H A 51 CYS HBy 1.0 1.8 5.0 450 267 A 51 CYS H A 56 THR HB 1.0 1.8 5.0 451 268 A 56 THR H A 51 CYS H 1.0 1.8 4.0 452 269 A 51 CYS H A 57 LEU HA 1.0 1.8 4.0 453 270 A 53 TYR H A 52 PRO HDx 1.0 1.8 5.0 454 270 A 52 PRO HDy A 53 TYR H 1.0 1.8 5.0 455 271 A 53 TYR H A 52 PRO HGx 1.0 1.8 5.0 456 271 A 53 TYR H A 52 PRO HGy 1.0 1.8 5.0 457 272 A 54 CYS H A 53 TYR H 1.0 1.8 5.0 458 273 A 55 SER H A 53 TYR H 1.0 1.8 5.0 459 274 A 55 SER H A 54 CYS H 1.0 1.8 3.5 460 275 A 56 THR HA A 57 LEU H 1.0 1.8 3.5 461 276 A 56 THR HG2% A 57 LEU H 1.0 1.8 5.0 462 277 A 56 THR HG2% A 58 TYR HA 1.0 1.8 5.0 463 278 A 58 TYR H A 57 LEU HA 1.0 1.8 3.5 464 279 A 58 TYR H A 57 LEU HDx% 1.0 1.8 5.0 465 279 A 57 LEU HDy% A 58 TYR H 1.0 1.8 5.0 466 280 A 57 LEU HG A 58 TYR H 1.0 1.8 5.0 467 281 A 58 TYR HA A 59 ARG H 1.0 1.8 3.5 468 282 A 59 ARG HA A 60 TYR H 1.0 1.8 3.5 469 283 A 60 TYR HD% A 61 ASP H 1.0 1.8 5.0 470 284 A 60 TYR HD% A 62 PRO HDx 1.0 1.8 5.0 471 284 A 60 TYR HD% A 62 PRO HDy 1.0 1.8 5.0 472 285 A 61 ASP HA A 62 PRO HDx 1.0 1.8 3.9 473 285 A 62 PRO HDy A 61 ASP HA 1.0 1.8 3.9 474 286 A 61 ASP HBx A 64 LEU HDx% 1.0 1.8 5.0 475 286 A 61 ASP HBy A 64 LEU HDx% 1.0 1.8 5.0 476 286 A 64 LEU HDy% A 61 ASP HBx 1.0 1.8 5.0 477 286 A 64 LEU HDy% A 61 ASP HBy 1.0 1.8 5.0 478 287 A 64 LEU HG A 61 ASP HBx 1.0 1.8 5.0 479 287 A 61 ASP HBy A 64 LEU HG 1.0 1.8 5.0 480 288 A 61 ASP H A 62 PRO HDx 1.0 1.8 5.0 481 288 A 61 ASP H A 62 PRO HDy 1.0 1.8 5.0 482 289 A 61 ASP H A 64 LEU HDx% 1.0 1.8 5.0 483 289 A 64 LEU HDy% A 61 ASP H 1.0 1.8 5.0 484 290 A 61 ASP H A 64 LEU HG 1.0 1.8 5.0 485 291 A 63 SER H A 62 PRO HDx 1.0 1.8 5.0 486 291 A 62 PRO HDy A 63 SER H 1.0 1.8 5.0 487 292 A 63 SER H A 62 PRO HGx 1.0 1.8 5.0 488 292 A 63 SER H A 62 PRO HGy 1.0 1.8 5.0 489 293 A 64 LEU HG A 63 SER H 1.0 1.8 5.0 490 294 A 63 SER H A 64 LEU H 1.0 1.8 3.5 491 295 A 64 LEU HA A 65 SER H 1.0 1.8 2.9 492 296 A 64 LEU HA A 68 GLN HBx 1.0 1.8 5.0 493 296 A 64 LEU HA A 68 GLN HBy 1.0 1.8 5.0 494 297 A 70 ASN HBy A 64 LEU HDx% 1.0 1.8 5.0 495 297 A 64 LEU HDx% A 70 ASN HBx 1.0 1.8 5.0 496 298 A 64 LEU HDy% A 70 ASN HBy 1.0 1.8 5.0 497 298 A 64 LEU HDy% A 70 ASN HBx 1.0 1.8 5.0 498 299 A 65 SER H A 64 LEU HDx% 1.0 1.8 5.0 499 299 A 64 LEU HDy% A 65 SER H 1.0 1.8 5.0 500 300 A 64 LEU HDx% A 68 GLN HBx 1.0 1.8 5.0 501 300 A 64 LEU HDy% A 68 GLN HBx 1.0 1.8 5.0 502 300 A 68 GLN HBy A 64 LEU HDx% 1.0 1.8 5.0 503 300 A 64 LEU HDy% A 68 GLN HBy 1.0 1.8 5.0 504 301 A 64 LEU HDx% A 68 GLN HGx 1.0 1.8 5.0 505 301 A 64 LEU HDy% A 68 GLN HGx 1.0 1.8 5.0 506 301 A 68 GLN HGy A 64 LEU HDx% 1.0 1.8 5.0 507 301 A 64 LEU HDy% A 68 GLN HGy 1.0 1.8 5.0 508 302 A 69 THR HA A 64 LEU HDx% 1.0 1.8 5.0 509 302 A 64 LEU HDy% A 69 THR HA 1.0 1.8 5.0 510 303 A 65 SER HA A 66 TYR H 1.0 1.8 3.5 511 304 A 65 SER HBx A 68 GLN HBx 1.0 1.8 5.0 512 304 A 65 SER HBy A 68 GLN HBx 1.0 1.8 5.0 513 304 A 68 GLN HBy A 65 SER HBx 1.0 1.8 5.0 514 304 A 68 GLN HBy A 65 SER HBy 1.0 1.8 5.0 515 305 A 65 SER HBx A 68 GLN HGx 1.0 1.8 5.0 516 305 A 65 SER HBy A 68 GLN HGx 1.0 1.8 5.0 517 305 A 68 GLN HGy A 65 SER HBx 1.0 1.8 5.0 518 305 A 68 GLN HGy A 65 SER HBy 1.0 1.8 5.0 519 306 A 68 GLN H A 65 SER HBx 1.0 1.8 5.0 520 306 A 65 SER HBy A 68 GLN H 1.0 1.8 5.0 521 307 A 65 SER H A 68 GLN HBx 1.0 1.8 5.0 522 307 A 65 SER H A 68 GLN HBy 1.0 1.8 5.0 523 308 A 65 SER H A 68 GLN HGx 1.0 1.8 5.0 524 308 A 65 SER H A 68 GLN HGy 1.0 1.8 5.0 525 309 A 68 GLN HA A 69 THR H 1.0 1.8 2.9 526 310 A 69 THR H A 68 GLN HGx 1.0 1.8 5.0 527 310 A 68 GLN HGy A 69 THR H 1.0 1.8 5.0 528 311 A 70 ASN H A 69 THR HA 1.0 1.8 3.5 529 312 A 70 ASN H A 69 THR HB 1.0 1.8 5.0 530 313 A 69 THR HG2% A 70 ASN H 1.0 1.8 5.0 531 314 A 69 THR HG2% A 71 PRO HDx 1.0 1.8 5.0 532 314 A 69 THR HG2% A 71 PRO HDy 1.0 1.8 5.0 533 315 A 69 THR HG2% A 74 CYS HBx 1.0 1.8 5.0 534 315 A 69 THR HG2% A 74 CYS HBy 1.0 1.8 5.0 535 316 A 69 THR HG2% A 74 CYS H 1.0 1.8 5.0 536 317 A 69 THR HG2% A 75 LEU H 1.0 1.8 5.0 537 318 A 70 ASN H A 71 PRO HDx 1.0 1.8 5.0 538 318 A 71 PRO HDy A 70 ASN H 1.0 1.8 5.0 539 319 A 71 PRO HA A 72 THR H 1.0 1.8 3.5 540 320 A 72 THR HB A 73 GLY H 1.0 1.8 5.0 541 321 A 73 GLY H A 72 THR HG2% 1.0 1.8 5.0 542 322 A 74 CYS H A 73 GLY H 1.0 1.8 5.0 543 323 A 74 CYS H A 75 LEU HBx 1.0 1.8 5.0 544 323 A 74 CYS H A 75 LEU HBy 1.0 1.8 5.0 545 324 A 74 CYS H A 75 LEU H 1.0 1.8 5.0 546 325 A 75 LEU HA A 76 TYR H 1.0 1.8 3.5 547 326 A 77 ASN HD2y A 75 LEU HDx% 1.0 1.8 5.0 548 326 A 75 LEU HDx% A 77 ASN HD2x 1.0 1.8 5.0 549 327 A 75 LEU HDy% A 77 ASN HD2y 1.0 1.8 5.0 550 327 A 75 LEU HDy% A 77 ASN HD2x 1.0 1.8 5.0 551 328 A 76 TYR H A 75 LEU HDx% 1.0 1.8 5.0 552 328 A 75 LEU HDy% A 76 TYR H 1.0 1.8 5.0 553 329 A 76 TYR HA A 77 ASN H 1.0 1.8 3.5 554 330 A 76 TYR HD% A 77 ASN H 1.0 1.8 5.0 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 A 25 PHE H A 41 ILE O 1.0 1.8 2.3 2 2 A 41 ILE O A 25 PHE N 1.0 2.7 3.3 3 3 A 41 ILE H A 25 PHE O 1.0 1.8 2.3 4 4 A 25 PHE O A 41 ILE N 1.0 2.7 3.3 5 5 A 49 LYS H A 58 TYR O 1.0 1.8 2.3 6 6 A 58 TYR O A 49 LYS N 1.0 2.7 3.3 7 7 A 58 TYR H A 49 LYS O 1.0 1.8 2.3 8 8 A 49 LYS O A 58 TYR N 1.0 2.7 3.3 9 9 A 18 ILE H A 57 LEU O 1.0 1.8 2.3 10 10 A 57 LEU O A 18 ILE N 1.0 2.7 3.3 11 11 A 20 ILE H A 59 ARG O 1.0 1.8 2.3 12 12 A 59 ARG O A 20 ILE N 1.0 2.7 3.3 13 13 A 59 ARG H A 18 ILE O 1.0 1.8 2.3 14 14 A 18 ILE O A 59 ARG N 1.0 2.7 3.3 stop_ save_