data_nef_c17821_2lgq save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2rn9 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 40 CYS SG 1 49 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 SER middle . . 3 A 3 PHE middle . . 4 A 4 THR middle . . 5 A 5 MET middle . . 6 A 6 PRO middle . false 7 A 7 GLY middle . false 8 A 8 LEU middle . . 9 A 9 VAL middle . . 10 A 10 ASP middle . . 11 A 11 SER middle . . 12 A 12 ASN middle . . 13 A 13 PRO middle . false 14 A 14 ALA middle . . 15 A 15 PRO middle . false 16 A 16 PRO middle . false 17 A 17 GLU middle . . 18 A 18 SER middle . . 19 A 19 GLN middle . . 20 A 20 GLU middle . . 21 A 21 LYS middle . . 22 A 22 LYS middle . . 23 A 23 PRO middle . false 24 A 24 LEU middle . . 25 A 25 LYS middle . . 26 A 26 PRO middle . false 27 A 27 CYS middle . . 28 A 28 CYS middle . . 29 A 29 ALA middle . . 30 A 30 SER middle . . 31 A 31 PRO middle . false 32 A 32 GLU middle . . 33 A 33 THR middle . . 34 A 34 LYS middle . . 35 A 35 LYS middle . . 36 A 36 ALA middle . . 37 A 37 ARG middle . . 38 A 38 ASP middle . . 39 A 39 ALA middle . . 40 A 40 CYS middle -HG . 41 A 41 ILE middle . . 42 A 42 ILE middle . . 43 A 43 GLU middle . . 44 A 44 LYS middle . . 45 A 45 GLY middle . false 46 A 46 GLU middle . . 47 A 47 GLU middle . . 48 A 48 HIS middle . . 49 A 49 CYS middle -HG . 50 A 50 GLY middle . false 51 A 51 HIS middle . . 52 A 52 LEU middle . . 53 A 53 ILE middle . . 54 A 54 GLU middle . . 55 A 55 ALA middle . . 56 A 56 HIS middle . . 57 A 57 LYS middle . . 58 A 58 GLU middle . . 59 A 59 SER middle . . 60 A 60 MET middle . . 61 A 61 ARG middle . . 62 A 62 ALA middle . . 63 A 63 LEU middle . . 64 A 64 GLY middle . false 65 A 65 PHE middle . . 66 A 66 LYS middle . . 67 A 67 ILE end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 4 THR H H 1 7.98 0.02 A 4 THR HA H 1 4.13 0.02 A 4 THR HB H 1 3.93 0.02 A 4 THR C C 13 170.8 0.3 A 4 THR CA C 13 58.8 0.3 A 4 THR CB C 13 67.0 0.3 A 4 THR CG2 C 13 18.8 0.3 A 4 THR N N 15 117.4 0.3 A 5 MET H H 1 8.25 0.02 A 5 MET C C 13 171.2 0.3 A 5 MET CA C 13 50.4 0.3 A 5 MET CB C 13 29.6 0.3 A 5 MET N N 15 124.4 0.3 A 6 PRO HA H 1 4.28 0.02 A 6 PRO HBy H 1 2.17 0.02 A 6 PRO HBx H 1 1.81 0.02 A 6 PRO HDy H 1 3.71 0.02 A 6 PRO HDx H 1 3.60 0.02 A 6 PRO CA C 13 60.5 0.3 A 6 PRO CB C 13 29.2 0.3 A 6 PRO CD C 13 47.8 0.3 A 6 PRO CG C 13 24.6 0.3 A 7 GLY H H 1 8.36 0.02 A 7 GLY HAy H 1 3.80 0.02 A 7 GLY HAx H 1 3.76 0.02 A 7 GLY C C 13 171.2 0.3 A 7 GLY CA C 13 42.4 0.3 A 7 GLY N N 15 109.0 0.3 A 8 LEU H H 1 7.92 0.02 A 8 LEU HA H 1 4.26 0.02 A 8 LEU HBy H 1 1.48 0.02 A 8 LEU HBx H 1 1.42 0.02 A 8 LEU HG H 1 1.52 0.02 A 8 LEU C C 13 174.6 0.3 A 8 LEU CA C 13 52.3 0.3 A 8 LEU CB C 13 39.4 0.3 A 8 LEU CD1 C 13 21.9 0.3 A 8 LEU CD2 C 13 20.8 0.3 A 8 LEU CG C 13 24.1 0.3 A 8 LEU N N 15 121.7 0.3 A 9 VAL H H 1 8.05 0.02 A 9 VAL HA H 1 3.98 0.02 A 9 VAL HB H 1 1.93 0.02 A 9 VAL HG2% H 1 0.78 0.02 A 9 VAL C C 13 172.9 0.3 A 9 VAL CA C 13 59.4 0.3 A 9 VAL CB C 13 30.0 0.3 A 9 VAL CG1 C 13 18.3 0.3 A 9 VAL CG2 C 13 17.7 0.3 A 9 VAL N N 15 120.9 0.3 A 10 ASP H H 1 8.30 0.02 A 10 ASP HA H 1 4.47 0.02 A 10 ASP HBy H 1 2.59 0.02 A 10 ASP HBx H 1 2.46 0.02 A 10 ASP C C 13 173.1 0.3 A 10 ASP CA C 13 51.5 0.3 A 10 ASP CB C 13 38.3 0.3 A 10 ASP N N 15 124.3 0.3 A 11 SER H H 1 8.13 0.02 A 11 SER HA H 1 4.29 0.02 A 11 SER C C 13 171.2 0.3 A 11 SER CA C 13 55.5 0.3 A 11 SER CB C 13 60.9 0.3 A 11 SER N N 15 116.4 0.3 A 12 ASN H H 1 8.36 0.02 A 12 ASN HA H 1 4.23 0.02 A 12 ASN HBy H 1 2.67 0.02 A 12 ASN HBx H 1 2.57 0.02 A 12 ASN C C 13 170.0 0.3 A 12 ASN CA C 13 56.5 0.3 A 12 ASN CB C 13 36.0 0.3 A 12 ASN N N 15 121.6 0.3 A 13 PRO HA H 1 4.29 0.02 A 13 PRO HBy H 1 2.13 0.02 A 13 PRO HBx H 1 1.74 0.02 A 13 PRO HDy H 1 3.70 0.02 A 13 PRO HDx H 1 3.62 0.02 A 13 PRO CA C 13 60.3 0.3 A 13 PRO CB C 13 29.2 0.3 A 13 PRO CD C 13 47.7 0.3 A 13 PRO CG C 13 24.5 0.3 A 14 ALA H H 1 8.26 0.02 A 14 ALA HA H 1 4.41 0.02 A 14 ALA C C 13 172.2 0.3 A 14 ALA CA C 13 47.5 0.3 A 14 ALA CB C 13 15.1 0.3 A 14 ALA N N 15 125.7 0.3 A 16 PRO HA H 1 4.28 0.02 A 16 PRO HBy H 1 2.18 0.02 A 16 PRO HBx H 1 1.80 0.02 A 16 PRO HDy H 1 3.72 0.02 A 16 PRO HDx H 1 3.61 0.02 A 16 PRO CA C 13 60.5 0.3 A 16 PRO CB C 13 29.2 0.3 A 16 PRO CD C 13 47.8 0.3 A 16 PRO CG C 13 24.6 0.3 A 17 GLU H H 1 8.55 0.02 A 17 GLU HA H 1 4.12 0.02 A 17 GLU HBy H 1 1.91 0.02 A 17 GLU HBx H 1 1.83 0.02 A 17 GLU HGy H 1 2.19 0.02 A 17 GLU HGx H 1 2.15 0.02 A 17 GLU C C 13 173.9 0.3 A 17 GLU CA C 13 54.1 0.3 A 17 GLU CB C 13 27.1 0.3 A 17 GLU CG C 13 33.3 0.3 A 17 GLU N N 15 120.6 0.3 A 18 SER H H 1 8.24 0.02 A 18 SER HA H 1 4.31 0.02 A 18 SER HBy H 1 3.78 0.02 A 18 SER HBx H 1 3.73 0.02 A 18 SER C C 13 171.9 0.3 A 18 SER CA C 13 55.6 0.3 A 18 SER CB C 13 60.8 0.3 A 18 SER N N 15 116.4 0.3 A 19 GLN H H 1 8.31 0.02 A 19 GLN HA H 1 4.20 0.02 A 19 GLN HBx H 1 1.84 0.02 A 19 GLN HBy H 1 2.03 0.02 A 19 GLN C C 13 173.1 0.3 A 19 GLN CA C 13 53.0 0.3 A 19 GLN CB C 13 26.5 0.3 A 19 GLN CG C 13 31.0 0.3 A 19 GLN N N 15 122.3 0.3 A 20 GLU H H 1 8.24 0.02 A 20 GLU HA H 1 4.29 0.02 A 20 GLU HBy H 1 2.14 0.02 A 20 GLU HBx H 1 1.82 0.02 A 20 GLU C C 13 173.5 0.3 A 20 GLU CA C 13 53.9 0.3 A 20 GLU CB C 13 27.4 0.3 A 20 GLU N N 15 121.6 0.3 A 21 LYS H H 1 8.26 0.02 A 21 LYS HA H 1 4.18 0.02 A 21 LYS HBx H 1 1.61 0.02 A 21 LYS HBy H 1 1.69 0.02 A 21 LYS HGy H 1 1.32 0.02 A 21 LYS HGx H 1 1.26 0.02 A 21 LYS C C 13 173.4 0.3 A 21 LYS CA C 13 53.3 0.3 A 21 LYS CB C 13 29.8 0.3 A 21 LYS CD C 13 26.2 0.3 A 21 LYS CE C 13 39.3 0.3 A 21 LYS CG C 13 21.9 0.3 A 21 LYS N N 15 122.9 0.3 A 22 LYS H H 1 8.22 0.02 A 22 LYS HA H 1 4.45 0.02 A 22 LYS HBx H 1 1.59 0.02 A 22 LYS HBy H 1 1.69 0.02 A 22 LYS C C 13 171.5 0.3 A 22 LYS CA C 13 51.2 0.3 A 22 LYS CB C 13 29.5 0.3 A 22 LYS CD C 13 26.3 0.3 A 22 LYS CE C 13 39.2 0.3 A 22 LYS CG C 13 21.8 0.3 A 22 LYS N N 15 124.0 0.3 A 23 PRO HA H 1 4.29 0.02 A 23 PRO HBy H 1 2.16 0.02 A 23 PRO HBx H 1 1.81 0.02 A 23 PRO HDy H 1 3.70 0.02 A 23 PRO HDx H 1 3.53 0.02 A 23 PRO CA C 13 60.1 0.3 A 23 PRO CB C 13 29.2 0.3 A 23 PRO CD C 13 47.7 0.3 A 23 PRO CG C 13 24.5 0.3 A 24 LEU H H 1 8.27 0.02 A 24 LEU HA H 1 4.16 0.02 A 24 LEU HG H 1 1.52 0.02 A 24 LEU C C 13 174.4 0.3 A 24 LEU CA C 13 52.4 0.3 A 24 LEU CB C 13 39.6 0.3 A 24 LEU CD1 C 13 22.0 0.3 A 24 LEU CD2 C 13 19.9 0.3 A 24 LEU CG C 13 24.2 0.3 A 24 LEU N N 15 122.7 0.3 A 25 LYS H H 1 8.18 0.02 A 25 LYS C C 13 171.6 0.3 A 25 LYS CA C 13 50.9 0.3 A 25 LYS CB C 13 29.8 0.3 A 25 LYS N N 15 123.4 0.3 A 28 CYS CA C 13 46.0 0.3 A 28 CYS CB C 13 31.0 0.3 A 29 ALA H H 1 8.05 0.02 A 29 ALA HA H 1 4.15 0.02 A 29 ALA C C 13 173.2 0.3 A 29 ALA CA C 13 49.7 0.3 A 29 ALA CB C 13 17.6 0.3 A 29 ALA N N 15 123.8 0.3 A 30 SER H H 1 8.27 0.02 A 30 SER HA H 1 4.58 0.02 A 30 SER C C 13 173.3 0.3 A 30 SER CA C 13 52.6 0.3 A 30 SER CB C 13 59.4 0.3 A 30 SER N N 15 112.8 0.3 A 31 PRO HA H 1 4.16 0.02 A 31 PRO HBy H 1 2.18 0.02 A 31 PRO HBx H 1 1.81 0.02 A 31 PRO HDy H 1 3.71 0.02 A 31 PRO HDx H 1 3.54 0.02 A 31 PRO CA C 13 61.8 0.3 A 31 PRO CB C 13 29.3 0.3 A 31 PRO CD C 13 47.4 0.3 A 31 PRO CG C 13 24.6 0.3 A 32 GLU H H 1 8.72 0.02 A 32 GLU HA H 1 4.06 0.02 A 32 GLU C C 13 177.3 0.3 A 32 GLU CA C 13 56.9 0.3 A 32 GLU CB C 13 26.0 0.3 A 32 GLU CG C 13 33.4 0.3 A 32 GLU N N 15 119.1 0.3 A 33 THR H H 1 7.62 0.02 A 33 THR HA H 1 4.04 0.02 A 33 THR HB H 1 4.23 0.02 A 33 THR C C 13 176.0 0.3 A 33 THR CA C 13 61.7 0.3 A 33 THR CB C 13 64.1 0.3 A 33 THR CG2 C 13 18.9 0.3 A 33 THR N N 15 110.8 0.3 A 34 LYS H H 1 7.74 0.02 A 34 LYS HA H 1 2.92 0.02 A 34 LYS HBy H 1 1.63 0.02 A 34 LYS HBx H 1 1.47 0.02 A 34 LYS HDx H 1 1.34 0.02 A 34 LYS HDy H 1 1.59 0.02 A 34 LYS C C 13 174.3 0.3 A 34 LYS CA C 13 57.3 0.3 A 34 LYS CB C 13 30.0 0.3 A 34 LYS CD C 13 26.4 0.3 A 34 LYS CE C 13 39.3 0.3 A 34 LYS CG C 13 22.5 0.3 A 34 LYS N N 15 127.1 0.3 A 35 LYS H H 1 7.88 0.02 A 35 LYS HA H 1 3.89 0.02 A 35 LYS HGx H 1 1.34 0.02 A 35 LYS HGy H 1 1.42 0.02 A 35 LYS C C 13 176.5 0.3 A 35 LYS CA C 13 56.7 0.3 A 35 LYS CB C 13 29.5 0.3 A 35 LYS CD C 13 26.6 0.3 A 35 LYS CE C 13 39.1 0.3 A 35 LYS CG C 13 22.2 0.3 A 35 LYS N N 15 118.5 0.3 A 36 ALA H H 1 7.49 0.02 A 36 ALA HA H 1 4.04 0.02 A 36 ALA C C 13 177.6 0.3 A 36 ALA CA C 13 52.0 0.3 A 36 ALA CB C 13 15.4 0.3 A 36 ALA N N 15 120.1 0.3 A 37 ARG H H 1 7.63 0.02 A 37 ARG HA H 1 3.62 0.02 A 37 ARG HBy H 1 1.58 0.02 A 37 ARG HBx H 1 1.39 0.02 A 37 ARG HGx H 1 1.22 0.02 A 37 ARG HGy H 1 1.55 0.02 A 37 ARG C C 13 174.1 0.3 A 37 ARG CA C 13 56.6 0.3 A 37 ARG CB C 13 27.1 0.3 A 37 ARG CD C 13 41.0 0.3 A 37 ARG CG C 13 22.8 0.3 A 37 ARG N N 15 118.5 0.3 A 38 ASP H H 1 8.68 0.02 A 38 ASP HA H 1 4.27 0.02 A 38 ASP C C 13 175.5 0.3 A 38 ASP CA C 13 54.7 0.3 A 38 ASP CB C 13 36.2 0.3 A 38 ASP N N 15 120.2 0.3 A 39 ALA H H 1 8.04 0.02 A 39 ALA HA H 1 4.01 0.02 A 39 ALA C C 13 176.8 0.3 A 39 ALA CA C 13 52.1 0.3 A 39 ALA CB C 13 15.2 0.3 A 39 ALA N N 15 121.1 0.3 A 40 CYS H H 1 7.34 0.02 A 40 CYS HA H 1 4.18 0.02 A 40 CYS HBy H 1 3.29 0.02 A 40 CYS HBx H 1 2.86 0.02 A 40 CYS C C 13 173.8 0.3 A 40 CYS CA C 13 57.9 0.3 A 40 CYS CB C 13 36.4 0.3 A 40 CYS N N 15 117.6 0.3 A 41 ILE H H 1 8.23 0.02 A 41 ILE HA H 1 3.05 0.02 A 41 ILE HB H 1 1.78 0.02 A 41 ILE HG1x H 1 0.53 0.02 A 41 ILE HG1y H 1 1.85 0.02 A 41 ILE C C 13 176.1 0.3 A 41 ILE CA C 13 63.4 0.3 A 41 ILE CB C 13 35.3 0.3 A 41 ILE CD1 C 13 11.4 0.3 A 41 ILE CG1 C 13 27.6 0.3 A 41 ILE CG2 C 13 14.3 0.3 A 41 ILE N N 15 121.5 0.3 A 42 ILE H H 1 7.77 0.02 A 42 ILE HA H 1 3.69 0.02 A 42 ILE HB H 1 1.75 0.02 A 42 ILE HG1x H 1 1.15 0.02 A 42 ILE HG1y H 1 1.50 0.02 A 42 ILE C C 13 174.2 0.3 A 42 ILE CA C 13 61.3 0.3 A 42 ILE CB C 13 35.8 0.3 A 42 ILE CD1 C 13 10.1 0.3 A 42 ILE CG1 C 13 26.3 0.3 A 42 ILE CG2 C 13 14.5 0.3 A 42 ILE N N 15 119.2 0.3 A 43 GLU H H 1 7.60 0.02 A 43 GLU HA H 1 4.05 0.02 A 43 GLU HGy H 1 2.19 0.02 A 43 GLU HGx H 1 2.07 0.02 A 43 GLU C C 13 175.3 0.3 A 43 GLU CA C 13 56.3 0.3 A 43 GLU CB C 13 28.2 0.3 A 43 GLU CG C 13 33.6 0.3 A 43 GLU N N 15 118.7 0.3 A 44 LYS H H 1 8.86 0.02 A 44 LYS HA H 1 4.45 0.02 A 44 LYS HBy H 1 1.90 0.02 A 44 LYS HBx H 1 1.74 0.02 A 44 LYS HGy H 1 1.40 0.02 A 44 LYS HGx H 1 1.27 0.02 A 44 LYS C C 13 174.5 0.3 A 44 LYS CA C 13 53.8 0.3 A 44 LYS CB C 13 32.7 0.3 A 44 LYS CD C 13 26.3 0.3 A 44 LYS CE C 13 39.4 0.3 A 44 LYS CG C 13 21.9 0.3 A 44 LYS N N 15 114.6 0.3 A 45 GLY H H 1 7.69 0.02 A 45 GLY HAy H 1 4.55 0.02 A 45 GLY HAx H 1 3.79 0.02 A 45 GLY C C 13 171.0 0.3 A 45 GLY CA C 13 41.3 0.3 A 45 GLY N N 15 108.7 0.3 A 46 GLU H H 1 8.90 0.02 A 46 GLU HA H 1 3.44 0.02 A 46 GLU HBy H 1 1.91 0.02 A 46 GLU HBx H 1 1.83 0.02 A 46 GLU C C 13 175.8 0.3 A 46 GLU CA C 13 58.3 0.3 A 46 GLU CB C 13 27.1 0.3 A 46 GLU CG C 13 33.7 0.3 A 46 GLU N N 15 120.8 0.3 A 47 GLU H H 1 9.53 0.02 A 47 GLU HA H 1 3.94 0.02 A 47 GLU HBx H 1 1.68 0.02 A 47 GLU HBy H 1 1.72 0.02 A 47 GLU HGy H 1 1.85 0.02 A 47 GLU HGx H 1 1.71 0.02 A 47 GLU C C 13 174.3 0.3 A 47 GLU CA C 13 55.9 0.3 A 47 GLU CB C 13 25.5 0.3 A 47 GLU CG C 13 32.7 0.3 A 47 GLU N N 15 118.7 0.3 A 48 HIS H H 1 7.50 0.02 A 48 HIS HA H 1 4.87 0.02 A 48 HIS HBy H 1 3.35 0.02 A 48 HIS HBx H 1 2.73 0.02 A 48 HIS C C 13 173.3 0.3 A 48 HIS CA C 13 53.1 0.3 A 48 HIS CB C 13 28.9 0.3 A 48 HIS N N 15 117.5 0.3 A 49 CYS H H 1 7.46 0.02 A 49 CYS HA H 1 5.05 0.02 A 49 CYS HBy H 1 3.17 0.02 A 49 CYS HBx H 1 2.39 0.02 A 49 CYS C C 13 173.7 0.3 A 49 CYS CA C 13 51.7 0.3 A 49 CYS CB C 13 39.5 0.3 A 49 CYS N N 15 116.1 0.3 A 50 GLY H H 1 9.15 0.02 A 50 GLY HAy H 1 4.05 0.02 A 50 GLY HAx H 1 3.71 0.02 A 50 GLY C C 13 172.5 0.3 A 50 GLY CA C 13 45.3 0.3 A 50 GLY N N 15 112.9 0.3 A 51 HIS C C 13 175.4 0.3 A 51 HIS CA C 13 56.4 0.3 A 51 HIS CB C 13 26.0 0.3 A 52 LEU H H 1 6.81 0.02 A 52 LEU HA H 1 4.11 0.02 A 52 LEU HG H 1 1.22 0.02 A 52 LEU C C 13 177.7 0.3 A 52 LEU CA C 13 53.8 0.3 A 52 LEU CB C 13 39.5 0.3 A 52 LEU CD1 C 13 22.2 0.3 A 52 LEU CD2 C 13 21.8 0.3 A 52 LEU CG C 13 26.6 0.3 A 52 LEU N N 15 122.0 0.3 A 53 ILE H H 1 8.17 0.02 A 53 ILE HA H 1 3.43 0.02 A 53 ILE HB H 1 1.91 0.02 A 53 ILE HG1x H 1 1.53 0.02 A 53 ILE HG1y H 1 1.57 0.02 A 53 ILE C C 13 176.1 0.3 A 53 ILE CA C 13 63.2 0.3 A 53 ILE CB C 13 35.9 0.3 A 53 ILE CD1 C 13 14.0 0.3 A 53 ILE CG1 C 13 26.9 0.3 A 53 ILE CG2 C 13 13.858 0.3 A 53 ILE N N 15 124.2 0.3 A 54 GLU H H 1 8.38 0.02 A 54 GLU HA H 1 4.03 0.02 A 54 GLU HGy H 1 2.26 0.02 A 54 GLU HGx H 1 2.13 0.02 A 54 GLU C C 13 175.4 0.3 A 54 GLU CA C 13 56.1 0.3 A 54 GLU CB C 13 26.0 0.3 A 54 GLU CG C 13 33.5 0.3 A 54 GLU N N 15 120.6 0.3 A 55 ALA H H 1 7.88 0.02 A 55 ALA HA H 1 4.12 0.02 A 55 ALA C C 13 177.9 0.3 A 55 ALA CA C 13 52.2 0.3 A 55 ALA CB C 13 15.1 0.3 A 55 ALA N N 15 120.8 0.3 A 56 HIS H H 1 7.64 0.02 A 56 HIS HA H 1 4.30 0.02 A 56 HIS HBx H 1 2.73 0.02 A 56 HIS HBy H 1 3.12 0.02 A 56 HIS C C 13 173.5 0.3 A 56 HIS CA C 13 57.0 0.3 A 56 HIS CB C 13 28.3 0.3 A 56 HIS N N 15 117.4 0.3 A 57 LYS H H 1 7.62 0.02 A 57 LYS HA H 1 3.60 0.02 A 57 LYS HBy H 1 1.89 0.02 A 57 LYS HBx H 1 1.71 0.02 A 57 LYS C C 13 176.2 0.3 A 57 LYS CA C 13 57.6 0.3 A 57 LYS CB C 13 29.5 0.3 A 57 LYS CD C 13 26.7 0.3 A 57 LYS CE C 13 39.3 0.3 A 57 LYS CG C 13 22.6 0.3 A 57 LYS N N 15 119.2 0.3 A 58 GLU H H 1 8.49 0.02 A 58 GLU HA H 1 3.97 0.02 A 58 GLU HGy H 1 2.39 0.02 A 58 GLU HGx H 1 2.22 0.02 A 58 GLU C C 13 176.2 0.3 A 58 GLU CA C 13 56.2 0.3 A 58 GLU CB C 13 26.3 0.3 A 58 GLU CG C 13 32.8 0.3 A 58 GLU N N 15 118.4 0.3 A 59 SER H H 1 7.79 0.02 A 59 SER HA H 1 4.15 0.02 A 59 SER CA C 13 58.4 0.3 A 59 SER CB C 13 60.3 0.3 A 59 SER N N 15 116.1 0.3 A 60 MET H H 1 7.88 0.02 A 60 MET HA H 1 4.17 0.02 A 60 MET C C 13 176.4 0.3 A 60 MET CA C 13 54.4 0.3 A 60 MET CB C 13 29.1 0.3 A 60 MET CG C 13 36.3 0.3 A 60 MET N N 15 117.5 0.3 A 61 ARG H H 1 8.29 0.02 A 61 ARG HA H 1 4.17 0.02 A 61 ARG C C 13 177.5 0.3 A 61 ARG CA C 13 56.1 0.3 A 61 ARG CB C 13 27.5 0.3 A 61 ARG CD C 13 40.7 0.3 A 61 ARG CG C 13 24.5 0.3 A 61 ARG N N 15 121.3 0.3 A 62 ALA H H 1 7.95 0.02 A 62 ALA HA H 1 4.07 0.02 A 62 ALA C C 13 176.4 0.3 A 62 ALA CA C 13 51.5 0.3 A 62 ALA CB C 13 15.1 0.3 A 62 ALA N N 15 123.2 0.3 A 63 LEU H H 1 7.45 0.02 A 63 LEU HA H 1 4.20 0.02 A 63 LEU HBy H 1 1.48 0.02 A 63 LEU HBx H 1 1.42 0.02 A 63 LEU HG H 1 1.47 0.02 A 63 LEU C C 13 174.4 0.3 A 63 LEU CA C 13 52.9 0.3 A 63 LEU CB C 13 39.8 0.3 A 63 LEU CD1 C 13 22.0 0.3 A 63 LEU CD2 C 13 20.7 0.3 A 63 LEU CG C 13 24.1 0.3 A 63 LEU N N 15 117.5 0.3 A 64 GLY H H 1 7.78 0.02 A 64 GLY HAy H 1 3.92 0.02 A 64 GLY HAx H 1 3.56 0.02 A 64 GLY C C 13 171.4 0.3 A 64 GLY CA C 13 42.1 0.3 A 64 GLY N N 15 106.3 0.3 A 65 PHE H H 1 7.84 0.02 A 65 PHE HA H 1 4.47 0.02 A 65 PHE HBy H 1 3.07 0.02 A 65 PHE HBx H 1 2.92 0.02 A 65 PHE C C 13 172.3 0.3 A 65 PHE CA C 13 54.9 0.3 A 65 PHE CB C 13 36.9 0.3 A 65 PHE N N 15 119.8 0.3 A 66 LYS H H 1 8.37 0.02 A 66 LYS HA H 1 4.26 0.02 A 66 LYS HBy H 1 1.70 0.02 A 66 LYS HBx H 1 1.61 0.02 A 66 LYS C C 13 172.2 0.3 A 66 LYS CA C 13 53.2 0.3 A 66 LYS CB C 13 29.3 0.3 A 66 LYS CD C 13 26.4 0.3 A 66 LYS CE C 13 39.3 0.3 A 66 LYS CG C 13 21.9 0.3 A 66 LYS N N 15 124.0 0.3 A 67 ILE H H 1 7.57 0.02 A 67 ILE HA H 1 4.05 0.02 A 67 ILE HB H 1 1.73 0.02 A 67 ILE HG1x H 1 1.03 0.02 A 67 ILE HG1y H 1 1.29 0.02 A 67 ILE C C 13 177.6 0.3 A 67 ILE CA C 13 59.4 0.3 A 67 ILE CB C 13 37.0 0.3 A 67 ILE CD1 C 13 15.3 0.3 A 67 ILE CG1 C 13 24.7 0.3 A 67 ILE CG2 C 13 15.161 0.3 A 67 ILE N N 15 127.5 0.3 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 10 ASP H A 10 ASP HBy 1.0 . 4.14 2 2 A 10 ASP H A 10 ASP HBx 1.0 . 3.94 3 3 A 11 SER H A 11 SER HBx 1.0 . 4.20 4 3 A 11 SER H A 11 SER HBy 1.0 . 4.20 5 4 A 13 PRO HA A 14 ALA H 1.0 . 2.73 6 5 A 14 ALA H A 14 ALA HB1 1.0 . 2.97 7 6 A 16 PRO HA A 17 GLU H 1.0 . 2.85 8 7 A 17 GLU H A 17 GLU HBx 1.0 . 3.97 9 8 A 17 GLU H A 17 GLU HGy 1.0 . 5.80 10 9 A 17 GLU H A 17 GLU HGx 1.0 . 5.80 11 10 A 17 GLU HGx A 17 GLU HA 1.0 . 3.83 12 11 A 17 GLU HGx A 17 GLU HBy 1.0 . 2.62 13 12 A 17 GLU HBy A 18 SER H 1.0 . 5.80 14 13 A 17 GLU HGy A 18 SER H 1.0 . 5.37 15 14 A 17 GLU HGx A 18 SER H 1.0 . 4.60 16 15 A 17 GLU HGx A 18 SER HBy 1.0 . 5.41 17 16 A 17 GLU HGx A 18 SER HBx 1.0 . 4.94 18 17 A 17 GLU HGx A 19 GLN H 1.0 . 5.80 19 18 A 19 GLN HA A 19 GLN HGx 1.0 . 3.75 20 18 A 19 GLN HA A 19 GLN HGy 1.0 . 3.75 21 19 A 19 GLN HA A 20 GLU H 1.0 . 3.28 22 20 A 19 GLN HBy A 19 GLN HGx 1.0 . 2.54 23 20 A 19 GLN HGy A 19 GLN HBy 1.0 . 2.54 24 21 A 21 LYS HA A 21 LYS HGx 1.0 . 2.76 25 22 A 21 LYS HA A 22 LYS H 1.0 . 3.27 26 23 A 21 LYS HBx A 21 LYS HEx 1.0 . 5.64 27 23 A 21 LYS HBx A 21 LYS HEy 1.0 . 5.64 28 24 A 21 LYS HBy A 21 LYS HEx 1.0 . 4.23 29 24 A 21 LYS HEy A 21 LYS HBy 1.0 . 4.23 30 25 A 21 LYS HGx A 21 LYS HEx 1.0 . 3.83 31 25 A 21 LYS HGx A 21 LYS HEy 1.0 . 3.83 32 26 A 21 LYS HGx A 22 LYS H 1.0 . 3.66 33 27 A 22 LYS H A 22 LYS HBx 1.0 . 4.04 34 28 A 22 LYS H A 22 LYS HBy 1.0 . 4.19 35 29 A 22 LYS H A 22 LYS HGx 1.0 . 4.87 36 29 A 22 LYS H A 22 LYS HGy 1.0 . 4.87 37 30 A 22 LYS HA A 22 LYS HDx 1.0 . 4.16 38 30 A 22 LYS HA A 22 LYS HDy 1.0 . 4.16 39 31 A 22 LYS HA A 22 LYS HEx 1.0 . 3.04 40 31 A 22 LYS HA A 22 LYS HEy 1.0 . 3.04 41 32 A 22 LYS HA A 22 LYS HGx 1.0 . 3.73 42 32 A 22 LYS HGy A 22 LYS HA 1.0 . 3.73 43 33 A 22 LYS HA A 23 PRO HDy 1.0 . 2.69 44 34 A 22 LYS HA A 23 PRO HDx 1.0 . 2.87 45 35 A 22 LYS HA A 23 PRO HGx 1.0 . 4.77 46 35 A 22 LYS HA A 23 PRO HGy 1.0 . 4.77 47 36 A 22 LYS HBx A 23 PRO HDy 1.0 . 4.83 48 37 A 22 LYS HBy A 22 LYS HGx 1.0 . 2.83 49 37 A 22 LYS HBy A 22 LYS HGy 1.0 . 2.83 50 38 A 22 LYS HBy A 23 PRO HDy 1.0 . 4.76 51 39 A 22 LYS HDx A 22 LYS HEx 1.0 . 2.40 52 39 A 22 LYS HDy A 22 LYS HEx 1.0 . 2.40 53 39 A 22 LYS HEy A 22 LYS HDx 1.0 . 2.40 54 39 A 22 LYS HDy A 22 LYS HEy 1.0 . 2.40 55 40 A 23 PRO HDy A 22 LYS HDx 1.0 . 4.53 56 40 A 22 LYS HDy A 23 PRO HDy 1.0 . 4.53 57 41 A 22 LYS HDx A 22 LYS HGx 1.0 . 2.40 58 41 A 22 LYS HGy A 22 LYS HDx 1.0 . 2.40 59 41 A 22 LYS HGy A 22 LYS HDy 1.0 . 2.40 60 41 A 22 LYS HDy A 22 LYS HGx 1.0 . 2.40 61 42 A 22 LYS HEy A 22 LYS HGx 1.0 . 3.61 62 42 A 22 LYS HEx A 22 LYS HGx 1.0 . 3.61 63 42 A 22 LYS HGy A 22 LYS HEx 1.0 . 3.61 64 42 A 22 LYS HGy A 22 LYS HEy 1.0 . 3.61 65 43 A 23 PRO HA A 24 LEU H 1.0 . 2.67 66 44 A 24 LEU H A 23 PRO HBy 1.0 . 4.55 67 45 A 24 LEU H A 24 LEU HBx 1.0 . 3.90 68 45 A 24 LEU H A 24 LEU HBy 1.0 . 3.90 69 46 A 24 LEU H A 24 LEU HD11 1.0 . 4.73 70 47 A 24 LEU HA A 25 LYS H 1.0 . 3.02 71 48 A 29 ALA H A 29 ALA HB1 1.0 . 3.25 72 49 A 29 ALA H A 31 PRO HDy 1.0 . 4.33 73 50 A 29 ALA HA A 31 PRO HDx 1.0 . 5.80 74 51 A 30 SER H A 33 THR HG21 1.0 . 5.80 75 52 A 31 PRO HDy A 30 SER HA 1.0 . 3.28 76 53 A 31 PRO HDx A 30 SER HA 1.0 . 3.24 77 54 A 30 SER HA A 31 PRO HGx 1.0 . 3.96 78 54 A 30 SER HA A 31 PRO HGy 1.0 . 3.96 79 55 A 30 SER HA A 32 GLU H 1.0 . 5.13 80 56 A 31 PRO HA A 34 LYS HBy 1.0 . 5.80 81 57 A 31 PRO HA A 34 LYS HBx 1.0 . 4.83 82 58 A 31 PRO HA A 34 LYS HGx 1.0 . 3.72 83 58 A 31 PRO HA A 34 LYS HGy 1.0 . 3.72 84 59 A 31 PRO HA A 35 LYS H 1.0 . 5.74 85 60 A 31 PRO HA A 35 LYS HDx 1.0 . 3.94 86 60 A 31 PRO HA A 35 LYS HDy 1.0 . 3.94 87 61 A 31 PRO HDx A 32 GLU HGx 1.0 . 5.76 88 61 A 31 PRO HDx A 32 GLU HGy 1.0 . 5.76 89 62 A 32 GLU H A 32 GLU HBx 1.0 . 3.58 90 62 A 32 GLU H A 32 GLU HBy 1.0 . 3.58 91 63 A 32 GLU H A 32 GLU HGx 1.0 . 4.36 92 63 A 32 GLU H A 32 GLU HGy 1.0 . 4.36 93 64 A 32 GLU H A 33 THR H 1.0 . 4.21 94 65 A 35 LYS H A 32 GLU HA 1.0 . 3.97 95 66 A 32 GLU HA A 35 LYS HBx 1.0 . 3.89 96 66 A 32 GLU HA A 35 LYS HBy 1.0 . 3.89 97 67 A 32 GLU HBx A 32 GLU HGx 1.0 . 2.69 98 67 A 32 GLU HBy A 32 GLU HGx 1.0 . 2.69 99 67 A 32 GLU HGy A 32 GLU HBx 1.0 . 2.69 100 67 A 32 GLU HGy A 32 GLU HBy 1.0 . 2.69 101 68 A 33 THR H A 32 GLU HBx 1.0 . 4.15 102 68 A 32 GLU HBy A 33 THR H 1.0 . 4.15 103 69 A 33 THR HG21 A 32 GLU HBx 1.0 . 4.41 104 69 A 33 THR HG21 A 32 GLU HBy 1.0 . 4.41 105 70 A 33 THR H A 32 GLU HGx 1.0 . 5.66 106 70 A 32 GLU HGy A 33 THR H 1.0 . 5.66 107 71 A 33 THR HA A 32 GLU HGx 1.0 . 5.80 108 71 A 32 GLU HGy A 33 THR HA 1.0 . 5.80 109 72 A 33 THR HG21 A 33 THR H 1.0 . 3.85 110 73 A 33 THR H A 34 LYS H 1.0 . 3.11 111 74 A 34 LYS HBy A 33 THR H 1.0 . 5.80 112 75 A 34 LYS HBx A 33 THR H 1.0 . 5.80 113 76 A 35 LYS H A 33 THR H 1.0 . 5.80 114 77 A 33 THR H A 36 ALA HB1 1.0 . 5.80 115 78 A 33 THR HG21 A 33 THR HA 1.0 . 3.31 116 79 A 33 THR HA A 36 ALA HB1 1.0 . 3.61 117 80 A 34 LYS H A 33 THR HB 1.0 . 5.80 118 81 A 33 THR HB A 55 ALA HB1 1.0 . 5.01 119 82 A 33 THR HB A 56 HIS HBx 1.0 . 4.88 120 83 A 33 THR HG21 A 55 ALA HB1 1.0 . 3.44 121 84 A 33 THR HG21 A 59 SER HBx 1.0 . 3.82 122 84 A 33 THR HG21 A 59 SER HBy 1.0 . 3.82 123 85 A 34 LYS HBy A 34 LYS H 1.0 . 3.67 124 86 A 34 LYS HBx A 34 LYS H 1.0 . 3.53 125 87 A 34 LYS H A 34 LYS HGx 1.0 . 4.82 126 87 A 34 LYS HGy A 34 LYS H 1.0 . 4.82 127 88 A 35 LYS H A 34 LYS H 1.0 . 3.09 128 89 A 34 LYS H A 36 ALA HB1 1.0 . 5.80 129 90 A 34 LYS HA A 34 LYS HGx 1.0 . 3.73 130 90 A 34 LYS HGy A 34 LYS HA 1.0 . 3.73 131 91 A 34 LYS HBy A 34 LYS HDx 1.0 . 3.03 132 92 A 34 LYS HBy A 35 LYS H 1.0 . 4.79 133 93 A 34 LYS HBx A 35 LYS H 1.0 . 5.80 134 94 A 34 LYS HEx A 35 LYS HDx 1.0 . 2.87 135 94 A 34 LYS HEy A 35 LYS HDx 1.0 . 2.87 136 94 A 35 LYS HDy A 34 LYS HEx 1.0 . 2.87 137 94 A 35 LYS HDy A 34 LYS HEy 1.0 . 2.87 138 95 A 34 LYS HEx A 34 LYS HGx 1.0 . 4.10 139 95 A 34 LYS HEy A 34 LYS HGx 1.0 . 4.10 140 95 A 34 LYS HGy A 34 LYS HEx 1.0 . 4.10 141 95 A 34 LYS HGy A 34 LYS HEy 1.0 . 4.10 142 96 A 35 LYS H A 34 LYS HGx 1.0 . 3.47 143 96 A 34 LYS HGy A 35 LYS H 1.0 . 3.47 144 97 A 34 LYS HGy A 35 LYS HEx 1.0 . 4.66 145 97 A 34 LYS HGx A 35 LYS HEx 1.0 . 4.66 146 97 A 35 LYS HEy A 34 LYS HGx 1.0 . 4.66 147 97 A 34 LYS HGy A 35 LYS HEy 1.0 . 4.66 148 98 A 36 ALA H A 34 LYS HGx 1.0 . 5.01 149 98 A 34 LYS HGy A 36 ALA H 1.0 . 5.01 150 99 A 35 LYS H A 35 LYS HGy 1.0 . 5.29 151 100 A 35 LYS H A 35 LYS HBx 1.0 . 3.01 152 100 A 35 LYS H A 35 LYS HBy 1.0 . 3.01 153 101 A 35 LYS H A 36 ALA H 1.0 . 2.94 154 102 A 35 LYS H A 36 ALA HB1 1.0 . 4.61 155 103 A 35 LYS HA A 35 LYS HEx 1.0 . 5.19 156 103 A 35 LYS HEy A 35 LYS HA 1.0 . 5.19 157 104 A 35 LYS HA A 38 ASP H 1.0 . 5.20 158 105 A 35 LYS HA A 38 ASP HBy 1.0 . 3.82 159 105 A 35 LYS HA A 38 ASP HBx 1.0 . 3.82 160 106 A 35 LYS HBx A 35 LYS HDx 1.0 . 2.64 161 106 A 35 LYS HBy A 35 LYS HDx 1.0 . 2.64 162 106 A 35 LYS HDy A 35 LYS HBx 1.0 . 2.64 163 106 A 35 LYS HDy A 35 LYS HBy 1.0 . 2.64 164 107 A 36 ALA H A 35 LYS HBx 1.0 . 4.09 165 107 A 35 LYS HBy A 36 ALA H 1.0 . 4.09 166 108 A 36 ALA HB1 A 36 ALA H 1.0 . 3.31 167 109 A 36 ALA HB1 A 37 ARG H 1.0 . 4.18 168 110 A 36 ALA HB1 A 52 LEU HD21 1.0 . 3.91 169 110 A 36 ALA HB1 A 52 LEU HD11 1.0 . 3.91 170 111 A 37 ARG H A 37 ARG HGy 1.0 . 4.55 171 112 A 38 ASP H A 37 ARG H 1.0 . 4.15 172 113 A 37 ARG H A 40 CYS H 1.0 . 5.23 173 114 A 37 ARG HGy A 37 ARG HA 1.0 . 3.74 174 115 A 37 ARG HA A 40 CYS HBy 1.0 . 4.97 175 116 A 37 ARG HA A 40 CYS HBx 1.0 . 4.83 176 117 A 37 ARG HA A 41 ILE HD11 1.0 . 4.96 177 118 A 37 ARG HA A 52 LEU HBx 1.0 . 4.37 178 118 A 37 ARG HA A 52 LEU HBy 1.0 . 4.37 179 119 A 52 LEU HD11 A 37 ARG HA 1.0 . 4.35 180 120 A 37 ARG HA A 52 LEU HD21 1.0 . 5.34 181 120 A 52 LEU HD11 A 37 ARG HA 1.0 . 5.34 182 121 A 38 ASP H A 37 ARG HBy 1.0 . 4.65 183 122 A 37 ARG HBy A 52 LEU HD21 1.0 . 5.37 184 122 A 52 LEU HD11 A 37 ARG HBy 1.0 . 5.37 185 123 A 38 ASP H A 37 ARG HBx 1.0 . 5.80 186 124 A 52 LEU HD11 A 37 ARG HDx 1.0 . 3.86 187 124 A 52 LEU HD11 A 37 ARG HDy 1.0 . 3.86 188 125 A 53 ILE HA A 37 ARG HDx 1.0 . 4.77 189 125 A 37 ARG HDy A 53 ILE HA 1.0 . 4.77 190 126 A 53 ILE HD11 A 37 ARG HDx 1.0 . 4.84 191 126 A 37 ARG HDy A 53 ILE HD11 1.0 . 4.84 192 127 A 38 ASP H A 38 ASP HBy 1.0 . 3.84 193 128 A 38 ASP H A 38 ASP HBy 1.0 . 3.52 194 128 A 38 ASP H A 38 ASP HBx 1.0 . 3.52 195 129 A 38 ASP H A 39 ALA H 1.0 . 3.82 196 130 A 38 ASP H A 39 ALA HB1 1.0 . 5.80 197 131 A 38 ASP H A 41 ILE H 1.0 . 4.82 198 132 A 38 ASP H A 41 ILE HD11 1.0 . 5.80 199 133 A 38 ASP H A 42 ILE H 1.0 . 5.80 200 134 A 39 ALA H A 38 ASP HBy 1.0 . 3.45 201 134 A 38 ASP HBx A 39 ALA H 1.0 . 3.45 202 135 A 39 ALA HA A 38 ASP HBy 1.0 . 5.04 203 135 A 38 ASP HBx A 39 ALA HA 1.0 . 5.04 204 136 A 39 ALA HB1 A 38 ASP HBy 1.0 . 4.98 205 136 A 38 ASP HBx A 39 ALA HB1 1.0 . 4.98 206 137 A 41 ILE HB A 38 ASP HBy 1.0 . 4.93 207 137 A 38 ASP HBx A 41 ILE HB 1.0 . 4.93 208 138 A 41 ILE HD11 A 38 ASP HBy 1.0 . 5.80 209 138 A 38 ASP HBx A 41 ILE HD11 1.0 . 5.80 210 139 A 39 ALA H A 39 ALA HB1 1.0 . 2.96 211 140 A 40 CYS H A 39 ALA H 1.0 . 2.86 212 141 A 39 ALA H A 42 ILE H 1.0 . 4.58 213 142 A 42 ILE H A 39 ALA HA 1.0 . 4.55 214 143 A 39 ALA HA A 42 ILE HB 1.0 . 3.92 215 144 A 39 ALA HA A 42 ILE HD11 1.0 . 5.17 216 145 A 40 CYS H A 39 ALA HB1 1.0 . 4.13 217 146 A 40 CYS HBy A 39 ALA HB1 1.0 . 5.80 218 147 A 39 ALA HB1 A 42 ILE H 1.0 . 5.44 219 148 A 40 CYS H A 40 CYS HBy 1.0 . 3.95 220 149 A 40 CYS H A 40 CYS HBx 1.0 . 3.97 221 150 A 40 CYS H A 41 ILE H 1.0 . 4.03 222 151 A 40 CYS H A 41 ILE HD11 1.0 . 5.22 223 152 A 40 CYS H A 42 ILE H 1.0 . 4.44 224 153 A 52 LEU HD11 A 40 CYS H 1.0 . 5.80 225 154 A 42 ILE H A 40 CYS HA 1.0 . 5.02 226 155 A 40 CYS HA A 43 GLU H 1.0 . 5.23 227 156 A 40 CYS HA A 43 GLU HGx 1.0 . 3.92 228 157 A 40 CYS HA A 43 GLU HBx 1.0 . 3.55 229 157 A 40 CYS HA A 43 GLU HBy 1.0 . 3.55 230 158 A 40 CYS HA A 44 LYS H 1.0 . 4.94 231 159 A 40 CYS HBy A 41 ILE H 1.0 . 3.81 232 160 A 40 CYS HBy A 41 ILE HD11 1.0 . 4.90 233 161 A 40 CYS HBy A 49 CYS HBx 1.0 . 4.62 234 162 A 52 LEU HD11 A 40 CYS HBy 1.0 . 3.97 235 163 A 40 CYS HBx A 41 ILE H 1.0 . 4.46 236 164 A 40 CYS HBx A 41 ILE HD11 1.0 . 3.47 237 165 A 40 CYS HBx A 52 LEU HG 1.0 . 4.07 238 166 A 52 LEU HD11 A 40 CYS HBx 1.0 . 3.54 239 167 A 41 ILE H A 41 ILE HB 1.0 . 3.76 240 168 A 41 ILE H A 41 ILE HG1x 1.0 . 4.09 241 169 A 41 ILE HD11 A 41 ILE H 1.0 . 3.73 242 170 A 41 ILE H A 42 ILE H 1.0 . 3.07 243 171 A 41 ILE H A 52 LEU HBx 1.0 . 5.57 244 171 A 52 LEU HBy A 41 ILE H 1.0 . 5.57 245 172 A 41 ILE HD11 A 41 ILE HA 1.0 . 4.13 246 173 A 41 ILE HA A 41 ILE HG21 1.0 . 3.77 247 174 A 44 LYS H A 41 ILE HA 1.0 . 5.33 248 175 A 41 ILE HA A 45 GLY H 1.0 . 3.99 249 176 A 41 ILE HA A 45 GLY HAy 1.0 . 5.80 250 177 A 41 ILE HA A 46 GLU H 1.0 . 5.76 251 178 A 41 ILE HA A 46 GLU HA 1.0 . 5.38 252 179 A 41 ILE HA A 52 LEU HD21 1.0 . 5.80 253 179 A 52 LEU HD11 A 41 ILE HA 1.0 . 5.80 254 180 A 41 ILE HG1x A 46 GLU HA 1.0 . 4.38 255 181 A 41 ILE HG1x A 46 GLU HGx 1.0 . 5.00 256 181 A 41 ILE HG1x A 46 GLU HGy 1.0 . 5.00 257 182 A 41 ILE HD11 A 45 GLY HAy 1.0 . 5.19 258 183 A 41 ILE HD11 A 46 GLU H 1.0 . 5.09 259 184 A 41 ILE HD11 A 46 GLU HA 1.0 . 3.93 260 185 A 41 ILE HD11 A 46 GLU HGx 1.0 . 3.62 261 185 A 41 ILE HD11 A 46 GLU HGy 1.0 . 3.62 262 186 A 41 ILE HD11 A 49 CYS HA 1.0 . 5.65 263 187 A 41 ILE HD11 A 49 CYS HBx 1.0 . 5.30 264 188 A 41 ILE HG1x A 41 ILE HG21 1.0 . 3.81 265 189 A 41 ILE HG21 A 42 ILE HA 1.0 . 3.91 266 190 A 41 ILE HG21 A 45 GLY H 1.0 . 5.37 267 191 A 41 ILE HG21 A 46 GLU H 1.0 . 4.40 268 192 A 41 ILE HG21 A 46 GLU HA 1.0 . 4.59 269 193 A 41 ILE HG21 A 46 GLU HGx 1.0 . 4.32 270 193 A 41 ILE HG21 A 46 GLU HGy 1.0 . 4.32 271 194 A 42 ILE H A 42 ILE HB 1.0 . 3.12 272 195 A 42 ILE H A 42 ILE HG1x 1.0 . 4.16 273 196 A 42 ILE H A 42 ILE HG1y 1.0 . 4.63 274 197 A 42 ILE H A 42 ILE HD11 1.0 . 4.20 275 198 A 42 ILE H A 42 ILE HG21 1.0 . 4.38 276 199 A 42 ILE H A 43 GLU H 1.0 . 3.18 277 200 A 42 ILE H A 43 GLU HBx 1.0 . 4.69 278 200 A 42 ILE H A 43 GLU HBy 1.0 . 4.69 279 201 A 42 ILE H A 44 LYS H 1.0 . 4.97 280 202 A 42 ILE HA A 42 ILE HG1x 1.0 . 3.93 281 203 A 42 ILE HA A 42 ILE HG1y 1.0 . 4.11 282 204 A 42 ILE HD11 A 42 ILE HA 1.0 . 4.06 283 205 A 42 ILE HA A 42 ILE HG21 1.0 . 3.52 284 206 A 42 ILE HB A 42 ILE HD11 1.0 . 3.72 285 207 A 42 ILE HB A 43 GLU H 1.0 . 4.03 286 208 A 42 ILE HD11 A 43 GLU H 1.0 . 5.44 287 209 A 42 ILE HG1y A 42 ILE HG21 1.0 . 3.90 288 210 A 43 GLU H A 42 ILE HG21 1.0 . 5.28 289 211 A 42 ILE HG21 A 43 GLU HA 1.0 . 4.04 290 212 A 43 GLU H A 43 GLU HBx 1.0 . 3.75 291 212 A 43 GLU H A 43 GLU HBy 1.0 . 3.75 292 213 A 43 GLU H A 44 LYS H 1.0 . 4.09 293 214 A 43 GLU HGx A 43 GLU HA 1.0 . 4.22 294 215 A 43 GLU HGy A 43 GLU HBx 1.0 . 2.53 295 215 A 43 GLU HBy A 43 GLU HGy 1.0 . 2.53 296 216 A 44 LYS H A 43 GLU HBx 1.0 . 4.32 297 216 A 43 GLU HBy A 44 LYS H 1.0 . 4.32 298 217 A 44 LYS H A 44 LYS HBy 1.0 . 4.01 299 218 A 44 LYS H A 44 LYS HGy 1.0 . 4.42 300 219 A 44 LYS H A 44 LYS HGx 1.0 . 4.71 301 220 A 44 LYS H A 44 LYS HDx 1.0 . 5.80 302 220 A 44 LYS H A 44 LYS HDy 1.0 . 5.80 303 221 A 44 LYS H A 45 GLY H 1.0 . 3.33 304 222 A 44 LYS HGx A 44 LYS HA 1.0 . 4.20 305 223 A 45 GLY H A 44 LYS HBy 1.0 . 4.74 306 224 A 44 LYS HBy A 45 GLY HAx 1.0 . 4.72 307 225 A 44 LYS HBy A 48 HIS HBy 1.0 . 4.51 308 226 A 44 LYS HBy A 48 HIS HBx 1.0 . 4.35 309 227 A 45 GLY H A 44 LYS HBx 1.0 . 4.79 310 228 A 48 HIS HBy A 44 LYS HBx 1.0 . 4.78 311 229 A 48 HIS HBx A 44 LYS HBx 1.0 . 4.37 312 230 A 45 GLY H A 44 LYS HGx 1.0 . 5.40 313 231 A 48 HIS HBy A 44 LYS HDx 1.0 . 4.68 314 231 A 44 LYS HDy A 48 HIS HBy 1.0 . 4.68 315 232 A 49 CYS HA A 44 LYS HDx 1.0 . 5.26 316 232 A 49 CYS HA A 44 LYS HDy 1.0 . 5.26 317 233 A 45 GLY HAy A 46 GLU H 1.0 . 3.57 318 234 A 45 GLY HAy A 46 GLU HGx 1.0 . 4.67 319 234 A 45 GLY HAy A 46 GLU HGy 1.0 . 4.67 320 235 A 46 GLU H A 46 GLU HBy 1.0 . 4.13 321 236 A 46 GLU H A 46 GLU HBx 1.0 . 3.78 322 237 A 46 GLU H A 46 GLU HGx 1.0 . 4.98 323 238 A 46 GLU H A 46 GLU HGy 1.0 . 5.80 324 239 A 46 GLU H A 46 GLU HGx 1.0 . 4.21 325 239 A 46 GLU H A 46 GLU HGy 1.0 . 4.21 326 240 A 46 GLU H A 47 GLU H 1.0 . 4.90 327 241 A 46 GLU HA A 46 GLU HGx 1.0 . 4.07 328 241 A 46 GLU HA A 46 GLU HGy 1.0 . 4.07 329 242 A 46 GLU HBy A 46 GLU HGx 1.0 . 2.87 330 242 A 46 GLU HGy A 46 GLU HBy 1.0 . 2.87 331 243 A 46 GLU HBx A 49 CYS HBy 1.0 . 5.80 332 244 A 47 GLU HGy A 46 GLU HGx 1.0 . 5.57 333 244 A 46 GLU HGy A 47 GLU HGy 1.0 . 5.57 334 245 A 47 GLU H A 47 GLU HGy 1.0 . 4.67 335 246 A 47 GLU H A 47 GLU HGx 1.0 . 4.38 336 247 A 47 GLU H A 47 GLU HBx 1.0 . 4.02 337 247 A 47 GLU H A 47 GLU HBy 1.0 . 4.02 338 248 A 47 GLU H A 48 HIS H 1.0 . 4.64 339 249 A 47 GLU HGy A 47 GLU HA 1.0 . 4.20 340 250 A 47 GLU HGx A 47 GLU HA 1.0 . 4.02 341 251 A 47 GLU HGy A 48 HIS H 1.0 . 5.80 342 252 A 48 HIS H A 47 GLU HBx 1.0 . 5.80 343 252 A 47 GLU HBy A 48 HIS H 1.0 . 5.80 344 253 A 48 HIS HBx A 48 HIS H 1.0 . 4.18 345 254 A 48 HIS HBy A 49 CYS H 1.0 . 5.65 346 255 A 49 CYS HA A 48 HIS HBy 1.0 . 5.80 347 256 A 49 CYS H A 50 GLY H 1.0 . 5.15 348 257 A 49 CYS H A 50 GLY HAy 1.0 . 5.80 349 258 A 52 LEU HG A 49 CYS HBy 1.0 . 5.28 350 259 A 49 CYS HBy A 52 LEU HBx 1.0 . 5.29 351 259 A 52 LEU HBy A 49 CYS HBy 1.0 . 5.29 352 260 A 52 LEU HD11 A 49 CYS HBy 1.0 . 5.29 353 261 A 49 CYS HBx A 52 LEU HBx 1.0 . 4.84 354 261 A 52 LEU HBy A 49 CYS HBx 1.0 . 4.84 355 262 A 52 LEU HD11 A 49 CYS HBx 1.0 . 5.80 356 263 A 4 THR H A 4 THR HB 1.0 . 4.16 357 264 A 4 THR H A 4 THR HG21 1.0 . 4.41 358 265 A 4 THR HG21 A 4 THR HA 1.0 . 4.22 359 266 A 50 GLY HAy A 53 ILE H 1.0 . 3.98 360 267 A 50 GLY HAy A 53 ILE HB 1.0 . 3.43 361 268 A 53 ILE HD11 A 50 GLY HAy 1.0 . 4.61 362 269 A 50 GLY HAy A 53 ILE HG21 1.0 . 4.72 363 270 A 50 GLY HAy A 54 GLU H 1.0 . 5.32 364 271 A 53 ILE HB A 50 GLY HAx 1.0 . 4.41 365 272 A 53 ILE HD11 A 50 GLY HAx 1.0 . 5.16 366 273 A 53 ILE HG21 A 50 GLY HAx 1.0 . 4.83 367 274 A 54 GLU H A 50 GLY HAx 1.0 . 5.79 368 275 A 52 LEU HG A 52 LEU H 1.0 . 4.76 369 276 A 52 LEU HD11 A 52 LEU H 1.0 . 4.24 370 277 A 52 LEU H A 52 LEU HD21 1.0 . 4.55 371 277 A 52 LEU HD11 A 52 LEU H 1.0 . 4.55 372 278 A 53 ILE H A 52 LEU H 1.0 . 3.64 373 279 A 54 GLU H A 52 LEU H 1.0 . 5.17 374 280 A 52 LEU HG A 52 LEU HA 1.0 . 3.94 375 281 A 52 LEU HA A 52 LEU HD21 1.0 . 3.46 376 281 A 52 LEU HD11 A 52 LEU HA 1.0 . 3.46 377 282 A 52 LEU HA A 55 ALA H 1.0 . 5.10 378 283 A 55 ALA HB1 A 52 LEU HA 1.0 . 3.68 379 284 A 53 ILE H A 52 LEU HBx 1.0 . 3.32 380 284 A 52 LEU HBy A 53 ILE H 1.0 . 3.32 381 285 A 54 GLU H A 52 LEU HBx 1.0 . 4.73 382 285 A 52 LEU HBy A 54 GLU H 1.0 . 4.73 383 286 A 55 ALA H A 52 LEU HBx 1.0 . 5.80 384 286 A 52 LEU HBy A 55 ALA H 1.0 . 5.80 385 287 A 56 HIS H A 52 LEU HBx 1.0 . 5.78 386 287 A 52 LEU HBy A 56 HIS H 1.0 . 5.78 387 288 A 52 LEU HD11 A 55 ALA H 1.0 . 5.80 388 289 A 53 ILE H A 52 LEU HD21 1.0 . 5.17 389 290 A 55 ALA H A 52 LEU HD21 1.0 . 4.85 390 290 A 52 LEU HD11 A 55 ALA H 1.0 . 4.85 391 291 A 55 ALA HB1 A 52 LEU HD21 1.0 . 3.83 392 291 A 55 ALA HB1 A 52 LEU HD11 1.0 . 3.83 393 292 A 53 ILE H A 53 ILE HB 1.0 . 3.42 394 293 A 53 ILE HD11 A 53 ILE H 1.0 . 4.09 395 294 A 53 ILE H A 53 ILE HG1x 1.0 . 4.95 396 294 A 53 ILE H A 53 ILE HG1y 1.0 . 4.95 397 295 A 53 ILE H A 53 ILE HG21 1.0 . 4.42 398 296 A 53 ILE H A 54 GLU H 1.0 . 3.50 399 297 A 53 ILE HA A 53 ILE HD11 1.0 . 3.75 400 298 A 53 ILE HA A 56 HIS H 1.0 . 5.27 401 299 A 53 ILE HD11 A 53 ILE HB 1.0 . 3.36 402 300 A 53 ILE HB A 54 GLU H 1.0 . 3.69 403 301 A 53 ILE HB A 54 GLU HA 1.0 . 5.80 404 302 A 53 ILE HD11 A 54 GLU H 1.0 . 4.40 405 303 A 53 ILE HG21 A 53 ILE HG1x 1.0 . 3.28 406 303 A 53 ILE HG21 A 53 ILE HG1y 1.0 . 3.28 407 304 A 53 ILE HG21 A 54 GLU H 1.0 . 4.13 408 305 A 54 GLU H A 54 GLU HBy 1.0 . 2.95 409 306 A 54 GLU H A 54 GLU HGy 1.0 . 4.71 410 307 A 54 GLU H A 54 GLU HBx 1.0 . 3.60 411 307 A 54 GLU H A 54 GLU HBy 1.0 . 3.60 412 308 A 54 GLU H A 55 ALA H 1.0 . 3.81 413 309 A 55 ALA HB1 A 54 GLU H 1.0 . 4.42 414 310 A 54 GLU HA A 54 GLU HGx 1.0 . 3.85 415 311 A 54 GLU HA A 54 GLU HBx 1.0 . 2.98 416 311 A 54 GLU HA A 54 GLU HBy 1.0 . 2.98 417 312 A 54 GLU HA A 57 LYS HBx 1.0 . 4.26 418 313 A 54 GLU HA A 57 LYS HDx 1.0 . 4.12 419 313 A 54 GLU HA A 57 LYS HDy 1.0 . 4.12 420 314 A 54 GLU HA A 58 GLU H 1.0 . 4.10 421 315 A 55 ALA H A 54 GLU HBy 1.0 . 3.57 422 316 A 56 HIS H A 54 GLU HBy 1.0 . 5.80 423 317 A 54 GLU HGy A 55 ALA HA 1.0 . 4.39 424 318 A 55 ALA HB1 A 54 GLU HGy 1.0 . 4.75 425 319 A 55 ALA H A 54 GLU HBx 1.0 . 3.84 426 319 A 55 ALA H A 54 GLU HBy 1.0 . 3.84 427 320 A 55 ALA HB1 A 55 ALA H 1.0 . 3.02 428 321 A 55 ALA H A 56 HIS H 1.0 . 3.53 429 322 A 55 ALA H A 57 LYS HGx 1.0 . 4.47 430 322 A 55 ALA H A 57 LYS HGy 1.0 . 4.47 431 323 A 58 GLU H A 55 ALA HA 1.0 . 4.30 432 324 A 55 ALA HA A 58 GLU HBx 1.0 . 3.59 433 324 A 55 ALA HA A 58 GLU HBy 1.0 . 3.59 434 325 A 55 ALA HB1 A 56 HIS H 1.0 . 3.56 435 326 A 55 ALA HB1 A 56 HIS HA 1.0 . 5.17 436 327 A 55 ALA HB1 A 57 LYS H 1.0 . 4.98 437 328 A 55 ALA HB1 A 58 GLU H 1.0 . 5.04 438 329 A 55 ALA HB1 A 59 SER H 1.0 . 5.80 439 330 A 56 HIS HBx A 56 HIS H 1.0 . 3.26 440 331 A 56 HIS H A 56 HIS HBy 1.0 . 3.62 441 332 A 56 HIS H A 57 LYS HA 1.0 . 5.80 442 333 A 56 HIS H A 57 LYS HGx 1.0 . 4.68 443 333 A 56 HIS H A 57 LYS HGy 1.0 . 4.68 444 334 A 56 HIS H A 59 SER H 1.0 . 4.91 445 335 A 56 HIS HA A 59 SER H 1.0 . 4.47 446 336 A 56 HIS HA A 60 MET H 1.0 . 4.93 447 337 A 56 HIS HBx A 57 LYS H 1.0 . 5.15 448 338 A 57 LYS H A 56 HIS HBy 1.0 . 4.07 449 339 A 57 LYS H A 57 LYS HBy 1.0 . 4.20 450 340 A 57 LYS HBx A 57 LYS H 1.0 . 4.01 451 341 A 57 LYS H A 57 LYS HGx 1.0 . 5.80 452 341 A 57 LYS HGy A 57 LYS H 1.0 . 5.80 453 342 A 58 GLU H A 57 LYS H 1.0 . 3.75 454 343 A 57 LYS HA A 57 LYS HDx 1.0 . 4.65 455 343 A 57 LYS HDy A 57 LYS HA 1.0 . 4.65 456 344 A 57 LYS HA A 57 LYS HEx 1.0 . 5.72 457 344 A 57 LYS HA A 57 LYS HEy 1.0 . 5.72 458 345 A 57 LYS HA A 57 LYS HGx 1.0 . 4.16 459 345 A 57 LYS HGy A 57 LYS HA 1.0 . 4.16 460 346 A 57 LYS HA A 60 MET H 1.0 . 5.08 461 347 A 57 LYS HBy A 57 LYS HEx 1.0 . 4.08 462 347 A 57 LYS HBy A 57 LYS HEy 1.0 . 4.08 463 348 A 58 GLU H A 57 LYS HBy 1.0 . 5.57 464 349 A 57 LYS HBx A 57 LYS HGx 1.0 . 2.90 465 349 A 57 LYS HBx A 57 LYS HGy 1.0 . 2.90 466 350 A 57 LYS HBx A 58 GLU H 1.0 . 3.92 467 351 A 58 GLU H A 57 LYS HDx 1.0 . 4.46 468 351 A 57 LYS HDy A 58 GLU H 1.0 . 4.46 469 352 A 58 GLU HGx A 57 LYS HDx 1.0 . 4.61 470 352 A 57 LYS HDy A 58 GLU HGx 1.0 . 4.61 471 353 A 58 GLU HGx A 57 LYS HGx 1.0 . 4.48 472 353 A 57 LYS HGy A 58 GLU HGx 1.0 . 4.48 473 354 A 58 GLU H A 58 GLU HGx 1.0 . 3.75 474 355 A 58 GLU H A 58 GLU HBx 1.0 . 3.17 475 355 A 58 GLU H A 58 GLU HBy 1.0 . 3.17 476 356 A 58 GLU H A 59 SER H 1.0 . 3.88 477 357 A 58 GLU H A 61 ARG HBx 1.0 . 5.80 478 357 A 58 GLU H A 61 ARG HBy 1.0 . 5.80 479 358 A 58 GLU HGx A 58 GLU HA 1.0 . 3.84 480 359 A 58 GLU HA A 61 ARG H 1.0 . 4.77 481 360 A 58 GLU HA A 61 ARG HBx 1.0 . 3.76 482 360 A 61 ARG HBy A 58 GLU HA 1.0 . 3.76 483 361 A 58 GLU HA A 61 ARG HDx 1.0 . 4.21 484 361 A 58 GLU HA A 61 ARG HDy 1.0 . 4.21 485 362 A 58 GLU HA A 62 ALA H 1.0 . 4.33 486 363 A 58 GLU HGx A 61 ARG H 1.0 . 5.80 487 364 A 59 SER H A 58 GLU HBx 1.0 . 3.71 488 364 A 58 GLU HBy A 59 SER H 1.0 . 3.71 489 365 A 59 SER HA A 58 GLU HBx 1.0 . 4.63 490 365 A 58 GLU HBy A 59 SER HA 1.0 . 4.63 491 366 A 58 GLU HBy A 59 SER HBx 1.0 . 4.93 492 366 A 58 GLU HBx A 59 SER HBx 1.0 . 4.93 493 366 A 59 SER HBy A 58 GLU HBx 1.0 . 4.93 494 366 A 59 SER HBy A 58 GLU HBy 1.0 . 4.93 495 367 A 59 SER H A 59 SER HBx 1.0 . 3.14 496 367 A 59 SER HBy A 59 SER H 1.0 . 3.14 497 368 A 59 SER H A 62 ALA H 1.0 . 5.80 498 369 A 62 ALA H A 59 SER HA 1.0 . 4.05 499 370 A 59 SER HA A 62 ALA HB1 1.0 . 3.66 500 371 A 60 MET H A 59 SER HBx 1.0 . 2.53 501 371 A 59 SER HBy A 60 MET H 1.0 . 2.53 502 372 A 62 ALA H A 59 SER HBx 1.0 . 5.80 503 372 A 59 SER HBy A 62 ALA H 1.0 . 5.80 504 373 A 62 ALA HB1 A 59 SER HBx 1.0 . 4.95 505 373 A 59 SER HBy A 62 ALA HB1 1.0 . 4.95 506 374 A 63 LEU HD21 A 59 SER HBx 1.0 . 5.19 507 374 A 59 SER HBy A 63 LEU HD21 1.0 . 5.19 508 375 A 60 MET H A 60 MET HBy 1.0 . 3.72 509 376 A 60 MET H A 61 ARG H 1.0 . 3.72 510 377 A 60 MET H A 63 LEU HBy 1.0 . 5.80 511 378 A 60 MET HA A 60 MET HGx 1.0 . 3.37 512 378 A 60 MET HA A 60 MET HGy 1.0 . 3.37 513 379 A 60 MET HBy A 63 LEU H 1.0 . 5.61 514 380 A 60 MET HBy A 64 GLY H 1.0 . 5.80 515 381 A 61 ARG H A 61 ARG HBx 1.0 . 3.09 516 381 A 61 ARG HBy A 61 ARG H 1.0 . 3.09 517 382 A 61 ARG H A 62 ALA H 1.0 . 3.49 518 383 A 61 ARG H A 62 ALA HB1 1.0 . 4.60 519 384 A 61 ARG H A 63 LEU H 1.0 . 4.65 520 385 A 61 ARG H A 67 ILE H 1.0 . 5.80 521 386 A 61 ARG HA A 61 ARG HGx 1.0 . 3.66 522 386 A 61 ARG HA A 61 ARG HGy 1.0 . 3.66 523 387 A 62 ALA H A 61 ARG HA 1.0 . 3.56 524 388 A 61 ARG HBx A 61 ARG HDx 1.0 . 3.45 525 388 A 61 ARG HBy A 61 ARG HDx 1.0 . 3.45 526 388 A 61 ARG HDy A 61 ARG HBx 1.0 . 3.45 527 388 A 61 ARG HBy A 61 ARG HDy 1.0 . 3.45 528 389 A 62 ALA H A 61 ARG HBx 1.0 . 3.46 529 389 A 61 ARG HBy A 62 ALA H 1.0 . 3.46 530 390 A 62 ALA HB1 A 61 ARG HBx 1.0 . 4.23 531 390 A 61 ARG HBy A 62 ALA HB1 1.0 . 4.23 532 391 A 63 LEU H A 61 ARG HBx 1.0 . 5.03 533 391 A 61 ARG HBy A 63 LEU H 1.0 . 5.03 534 392 A 64 GLY H A 61 ARG HBx 1.0 . 5.80 535 392 A 61 ARG HBy A 64 GLY H 1.0 . 5.80 536 393 A 64 GLY HAy A 61 ARG HDx 1.0 . 5.80 537 393 A 61 ARG HDy A 64 GLY HAy 1.0 . 5.80 538 394 A 62 ALA H A 62 ALA HB1 1.0 . 2.99 539 395 A 62 ALA H A 63 LEU H 1.0 . 3.66 540 396 A 62 ALA H A 67 ILE HD11 1.0 . 5.80 541 397 A 62 ALA HB1 A 63 LEU H 1.0 . 4.50 542 398 A 63 LEU HBy A 63 LEU H 1.0 . 3.97 543 399 A 63 LEU HD21 A 63 LEU H 1.0 . 2.50 544 400 A 63 LEU H A 64 GLY H 1.0 . 2.52 545 401 A 63 LEU H A 66 LYS HBx 1.0 . 5.04 546 402 A 63 LEU HA A 63 LEU HG 1.0 . 3.71 547 403 A 63 LEU HD21 A 63 LEU HA 1.0 . 3.08 548 404 A 63 LEU HA A 65 PHE H 1.0 . 5.80 549 405 A 63 LEU HBy A 64 GLY H 1.0 . 5.03 550 406 A 63 LEU HD21 A 65 PHE H 1.0 . 5.05 551 407 A 64 GLY H A 66 LYS HBx 1.0 . 4.90 552 408 A 65 PHE H A 66 LYS HBy 1.0 . 5.80 553 409 A 65 PHE HA A 66 LYS H 1.0 . 3.51 554 410 A 66 LYS H A 65 PHE HBx 1.0 . 4.55 555 411 A 66 LYS HA A 66 LYS HDx 1.0 . 5.29 556 411 A 66 LYS HA A 66 LYS HDy 1.0 . 5.29 557 412 A 66 LYS HA A 66 LYS HGx 1.0 . 4.11 558 412 A 66 LYS HA A 66 LYS HGy 1.0 . 4.11 559 413 A 66 LYS HBy A 67 ILE HG1x 1.0 . 4.71 560 414 A 67 ILE HA A 66 LYS HEx 1.0 . 4.65 561 414 A 66 LYS HEy A 67 ILE HA 1.0 . 4.65 562 415 A 66 LYS HEy A 66 LYS HGx 1.0 . 3.62 563 415 A 66 LYS HEx A 66 LYS HGx 1.0 . 3.62 564 415 A 66 LYS HGy A 66 LYS HEx 1.0 . 3.62 565 415 A 66 LYS HGy A 66 LYS HEy 1.0 . 3.62 566 416 A 67 ILE HG1x A 66 LYS HGx 1.0 . 2.64 567 416 A 66 LYS HGy A 67 ILE HG1x 1.0 . 2.64 568 417 A 67 ILE HD11 A 66 LYS HGx 1.0 . 4.49 569 417 A 67 ILE HD11 A 66 LYS HGy 1.0 . 4.49 570 418 A 67 ILE H A 67 ILE HG1x 1.0 . 4.04 571 419 A 67 ILE H A 67 ILE HG1y 1.0 . 4.50 572 420 A 67 ILE H A 67 ILE HG21 1.0 . 4.05 573 421 A 67 ILE HG1x A 67 ILE HA 1.0 . 4.01 574 422 A 67 ILE HD11 A 67 ILE HA 1.0 . 4.28 575 423 A 67 ILE HA A 67 ILE HG21 1.0 . 3.06 576 424 A 67 ILE HD11 A 67 ILE HB 1.0 . 2.82 577 425 A 6 PRO HA A 7 GLY H 1.0 . 3.55 578 426 A 7 GLY HAx A 8 LEU H 1.0 . 3.37 579 427 A 7 GLY HAx A 8 LEU HD21 1.0 . 4.52 580 428 A 7 GLY HAx A 9 VAL H 1.0 . 4.68 581 429 A 8 LEU H A 9 VAL H 1.0 . 4.02 582 430 A 8 LEU HA A 8 LEU HG 1.0 . 3.64 583 431 A 9 VAL H A 8 LEU HA 1.0 . 2.96 584 432 A 8 LEU HD21 A 8 LEU HBx 1.0 . 4.22 585 433 A 8 LEU HD11 A 8 LEU HBx 1.0 . 3.31 586 433 A 8 LEU HBy A 8 LEU HD11 1.0 . 3.31 587 434 A 8 LEU HD21 A 8 LEU HBx 1.0 . 3.84 588 434 A 8 LEU HD21 A 8 LEU HBy 1.0 . 3.84 589 435 A 9 VAL H A 8 LEU HBx 1.0 . 4.84 590 435 A 9 VAL H A 8 LEU HBy 1.0 . 4.84 591 436 A 10 ASP H A 9 VAL H 1.0 . 3.86 592 437 A 9 VAL H A 9 VAL HB 1.0 . 3.90 593 438 A 9 VAL H A 9 VAL HG2% 1.0 . 3.42 594 439 A 9 VAL H A 9 VAL HG2% 1.0 . 3.97 595 439 A 9 VAL H A 9 VAL HG11 1.0 . 3.97 596 440 A 10 ASP H A 9 VAL HA 1.0 . 3.03 597 441 A 9 VAL HG11 A 9 VAL HA 1.0 . 3.57 598 442 A 9 VAL HA A 9 VAL HG2% 1.0 . 3.59 599 442 A 9 VAL HG11 A 9 VAL HA 1.0 . 3.59 600 443 A 11 SER H A 9 VAL HB 1.0 . 4.92 601 444 A 10 ASP H A 9 VAL HG11 1.0 . 4.00 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 3 PHE C A 4 THR N A 4 THR CA A 4 THR C 1.0 -150.4 -10.4 PHI 2 2 A 4 THR N A 4 THR CA A 4 THR C A 5 MET N 1.0 66.6 206.6 PSI 3 3 A 4 THR C A 5 MET N A 5 MET CA A 5 MET C 1.0 -125.2 -39.7 PHI 4 4 A 5 MET N A 5 MET CA A 5 MET C A 6 PRO N 1.0 80.7 172.7 PSI 5 5 A 6 PRO N A 6 PRO CA A 6 PRO C A 7 GLY N 1.0 115.6 165.7 PSI 6 6 A 6 PRO C A 7 GLY N A 7 GLY CA A 7 GLY C 1.0 43.6 120.1 PHI 7 7 A 7 GLY N A 7 GLY CA A 7 GLY C A 8 LEU N 1.0 -66.3 64.8 PSI 8 8 A 7 GLY C A 8 LEU N A 8 LEU CA A 8 LEU C 1.0 -136.8 3.2 PHI 9 9 A 8 LEU N A 8 LEU CA A 8 LEU C A 9 VAL N 1.0 68.6 208.6 PSI 10 10 A 8 LEU C A 9 VAL N A 9 VAL CA A 9 VAL C 1.0 -152.2 -12.2 PHI 11 11 A 9 VAL N A 9 VAL CA A 9 VAL C A 10 ASP N 1.0 58.8 198.8 PSI 12 12 A 9 VAL C A 10 ASP N A 10 ASP CA A 10 ASP C 1.0 -165.3 -25.3 PHI 13 13 A 10 ASP N A 10 ASP CA A 10 ASP C A 11 SER N 1.0 93.0 148.3 PSI 14 14 A 13 PRO N A 13 PRO CA A 13 PRO C A 14 ALA N 1.0 114.6 182.0 PSI 15 15 A 17 GLU C A 18 SER N A 18 SER CA A 18 SER C 1.0 -158.9 -18.9 PHI 16 16 A 18 SER N A 18 SER CA A 18 SER C A 19 GLN N 1.0 79.1 219.1 PSI 17 17 A 19 GLN C A 20 GLU N A 20 GLU CA A 20 GLU C 1.0 -157.0 -17.0 PHI 18 18 A 20 GLU N A 20 GLU CA A 20 GLU C A 21 LYS N 1.0 90.5 165.3 PSI 19 19 A 20 GLU C A 21 LYS N A 21 LYS CA A 21 LYS C 1.0 -158.9 -25.1 PHI 20 20 A 21 LYS N A 21 LYS CA A 21 LYS C A 22 LYS N 1.0 68.6 196.6 PSI 21 21 A 21 LYS C A 22 LYS N A 22 LYS CA A 22 LYS C 1.0 -126.5 -60.9 PHI 22 22 A 22 LYS N A 22 LYS CA A 22 LYS C A 23 PRO N 1.0 82.9 187.9 PSI 23 23 A 23 PRO N A 23 PRO CA A 23 PRO C A 24 LEU N 1.0 125.3 170.8 PSI 24 24 A 23 PRO C A 24 LEU N A 24 LEU CA A 24 LEU C 1.0 -130.5 -56.6 PHI 25 25 A 24 LEU N A 24 LEU CA A 24 LEU C A 25 LYS N 1.0 95.7 169.1 PSI 26 26 A 24 LEU C A 25 LYS N A 25 LYS CA A 25 LYS C 1.0 -134.8 -57.6 PHI 27 27 A 25 LYS N A 25 LYS CA A 25 LYS C A 26 PRO N 1.0 80.3 185.6 PSI 28 28 A 28 CYS C A 29 ALA N A 29 ALA CA A 29 ALA C 1.0 -183.5 -43.5 PHI 29 29 A 29 ALA N A 29 ALA CA A 29 ALA C A 30 SER N 1.0 60.3 200.3 PSI 30 30 A 29 ALA C A 30 SER N A 30 SER CA A 30 SER C 1.0 -134.8 -38.5 PHI 31 31 A 30 SER N A 30 SER CA A 30 SER C A 31 PRO N 1.0 65.5 197.6 PSI 32 32 A 31 PRO N A 31 PRO CA A 31 PRO C A 32 GLU N 1.0 -54.7 -14.7 PSI 33 33 A 31 PRO C A 32 GLU N A 32 GLU CA A 32 GLU C 1.0 -84.9 -44.9 PHI 34 34 A 32 GLU N A 32 GLU CA A 32 GLU C A 33 THR N 1.0 -54.7 -14.7 PSI 35 35 A 32 GLU C A 33 THR N A 33 THR CA A 33 THR C 1.0 -82.7 -42.7 PHI 36 36 A 33 THR N A 33 THR CA A 33 THR C A 34 LYS N 1.0 -54.8 -14.8 PSI 37 37 A 33 THR C A 34 LYS N A 34 LYS CA A 34 LYS C 1.0 -85.2 -45.2 PHI 38 38 A 34 LYS N A 34 LYS CA A 34 LYS C A 35 LYS N 1.0 -61.9 -21.9 PSI 39 39 A 34 LYS C A 35 LYS N A 35 LYS CA A 35 LYS C 1.0 -80.4 -40.4 PHI 40 40 A 35 LYS N A 35 LYS CA A 35 LYS C A 36 ALA N 1.0 -65.0 -20.4 PSI 41 41 A 35 LYS C A 36 ALA N A 36 ALA CA A 36 ALA C 1.0 -86.4 -46.4 PHI 42 42 A 36 ALA N A 36 ALA CA A 36 ALA C A 37 ARG N 1.0 -56.8 -16.8 PSI 43 43 A 36 ALA C A 37 ARG N A 37 ARG CA A 37 ARG C 1.0 -85.7 -45.7 PHI 44 44 A 37 ARG N A 37 ARG CA A 37 ARG C A 38 ASP N 1.0 -59.9 -19.9 PSI 45 45 A 37 ARG C A 38 ASP N A 38 ASP CA A 38 ASP C 1.0 -83.6 -43.6 PHI 46 46 A 38 ASP N A 38 ASP CA A 38 ASP C A 39 ALA N 1.0 -59.5 -19.5 PSI 47 47 A 38 ASP C A 39 ALA N A 39 ALA CA A 39 ALA C 1.0 -84.6 -44.6 PHI 48 48 A 39 ALA N A 39 ALA CA A 39 ALA C A 40 CYS N 1.0 -59.4 -18.0 PSI 49 49 A 39 ALA C A 40 CYS N A 40 CYS CA A 40 CYS C 1.0 -84.4 -44.4 PHI 50 50 A 40 CYS N A 40 CYS CA A 40 CYS C A 41 ILE N 1.0 -65.0 -25.0 PSI 51 51 A 40 CYS C A 41 ILE N A 41 ILE CA A 41 ILE C 1.0 -81.1 -41.1 PHI 52 52 A 41 ILE N A 41 ILE CA A 41 ILE C A 42 ILE N 1.0 -60.0 -20.0 PSI 53 53 A 41 ILE C A 42 ILE N A 42 ILE CA A 42 ILE C 1.0 -85.7 -45.7 PHI 54 54 A 42 ILE N A 42 ILE CA A 42 ILE C A 43 GLU N 1.0 -60.1 -20.1 PSI 55 55 A 42 ILE C A 43 GLU N A 43 GLU CA A 43 GLU C 1.0 -101.9 -55.0 PHI 56 56 A 43 GLU N A 43 GLU CA A 43 GLU C A 44 LYS N 1.0 -51.4 -11.4 PSI 57 57 A 43 GLU C A 44 LYS N A 44 LYS CA A 44 LYS C 1.0 -130.7 -71.9 PHI 58 58 A 44 LYS N A 44 LYS CA A 44 LYS C A 45 GLY N 1.0 -41.9 16.6 PSI 59 59 A 45 GLY C A 46 GLU N A 46 GLU CA A 46 GLU C 1.0 -73.2 -33.2 PHI 60 60 A 46 GLU N A 46 GLU CA A 46 GLU C A 47 GLU N 1.0 -63.5 -18.6 PSI 61 61 A 49 CYS C A 50 GLY N A 50 GLY CA A 50 GLY C 1.0 -81.8 -41.8 PHI 62 62 A 50 GLY N A 50 GLY CA A 50 GLY C A 51 HIS N 1.0 -63.5 -15.9 PSI 63 63 A 50 GLY C A 51 HIS N A 51 HIS CA A 51 HIS C 1.0 -82.6 -42.6 PHI 64 64 A 51 HIS N A 51 HIS CA A 51 HIS C A 52 LEU N 1.0 -62.0 -22.0 PSI 65 65 A 51 HIS C A 52 LEU N A 52 LEU CA A 52 LEU C 1.0 -86.2 -46.2 PHI 66 66 A 52 LEU N A 52 LEU CA A 52 LEU C A 53 ILE N 1.0 -60.8 -20.8 PSI 67 67 A 52 LEU C A 53 ILE N A 53 ILE CA A 53 ILE C 1.0 -84.6 -44.6 PHI 68 68 A 53 ILE N A 53 ILE CA A 53 ILE C A 54 GLU N 1.0 -62.7 -22.7 PSI 69 69 A 53 ILE C A 54 GLU N A 54 GLU CA A 54 GLU C 1.0 -83.4 -43.4 PHI 70 70 A 54 GLU N A 54 GLU CA A 54 GLU C A 55 ALA N 1.0 -63.9 -23.9 PSI 71 71 A 54 GLU C A 55 ALA N A 55 ALA CA A 55 ALA C 1.0 -85.6 -45.6 PHI 72 72 A 55 ALA N A 55 ALA CA A 55 ALA C A 56 HIS N 1.0 -58.5 -18.5 PSI 73 73 A 55 ALA C A 56 HIS N A 56 HIS CA A 56 HIS C 1.0 -85.1 -45.1 PHI 74 74 A 56 HIS N A 56 HIS CA A 56 HIS C A 57 LYS N 1.0 -65.5 -25.5 PSI 75 75 A 56 HIS C A 57 LYS N A 57 LYS CA A 57 LYS C 1.0 -78.9 -38.9 PHI 76 76 A 57 LYS N A 57 LYS CA A 57 LYS C A 58 GLU N 1.0 -64.4 -24.4 PSI 77 77 A 57 LYS C A 58 GLU N A 58 GLU CA A 58 GLU C 1.0 -85.6 -45.6 PHI 78 78 A 58 GLU N A 58 GLU CA A 58 GLU C A 59 SER N 1.0 -57.6 -17.6 PSI 79 79 A 58 GLU C A 59 SER N A 59 SER CA A 59 SER C 1.0 -87.3 -47.3 PHI 80 80 A 59 SER N A 59 SER CA A 59 SER C A 60 MET N 1.0 -60.7 -20.7 PSI 81 81 A 59 SER C A 60 MET N A 60 MET CA A 60 MET C 1.0 -86.8 -46.8 PHI 82 82 A 60 MET N A 60 MET CA A 60 MET C A 61 ARG N 1.0 -55.4 -15.4 PSI 83 83 A 60 MET C A 61 ARG N A 61 ARG CA A 61 ARG C 1.0 -88.3 -47.4 PHI 84 84 A 61 ARG N A 61 ARG CA A 61 ARG C A 62 ALA N 1.0 -69.4 -1.9 PSI 85 85 A 61 ARG C A 62 ALA N A 62 ALA CA A 62 ALA C 1.0 -84.2 -44.2 PHI 86 86 A 62 ALA N A 62 ALA CA A 62 ALA C A 63 LEU N 1.0 -48.0 -8.0 PSI 87 87 A 62 ALA C A 63 LEU N A 63 LEU CA A 63 LEU C 1.0 -108.4 -68.4 PHI 88 88 A 63 LEU N A 63 LEU CA A 63 LEU C A 64 GLY N 1.0 -27.1 17.2 PSI 89 89 A 63 LEU C A 64 GLY N A 64 GLY CA A 64 GLY C 1.0 68.8 114.6 PHI 90 90 A 64 GLY N A 64 GLY CA A 64 GLY C A 65 PHE N 1.0 -14.6 26.9 PSI 91 91 A 64 GLY C A 65 PHE N A 65 PHE CA A 65 PHE C 1.0 -134.3 -38.2 PHI 92 92 A 65 PHE N A 65 PHE CA A 65 PHE C A 66 LYS N 1.0 106.5 170.1 PSI stop_ save_