data_nef_c25260_2mvc 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 BMRB 25261 PDB 2hiu PDB 2MVC stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 6 CYS SG 1 11 CYS SG 1 7 CYS SG 2 7 CYS SG 1 20 CYS SG 2 19 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 ILE middle . . 3 A 3 VAL middle . . 4 A 4 GLU middle . . 5 A 5 GLN middle . . 6 A 6 CYS middle -HG . 7 A 7 CYS middle -HG . 8 A 8 THR middle . . 9 A 9 SER middle . . 10 A 10 ILE middle . . 11 A 11 CYS middle -HG . 12 A 12 SER middle . . 13 A 13 LEU middle . . 14 A 14 TYR middle . . 15 A 15 GLN middle . . 16 A 16 LEU middle . . 17 A 17 GLU middle . . 18 A 18 ASN middle . . 19 A 19 TYR middle . . 20 A 20 CYS middle -HG . 21 A 21 ASN end . . 22 B 1 PHE start . . 23 B 2 VAL middle . . 24 B 3 ASN middle . . 25 B 4 GLN middle . . 26 B 5 HIS middle . . 27 B 6 LEU middle . . 28 B 7 CYS middle -HG . 29 B 8 GLY middle . false 30 B 9 SER middle . . 31 B 10 HIS middle . . 32 B 11 LEU middle . . 33 B 12 VAL middle . . 34 B 13 GLU middle . . 35 B 14 ALA middle . . 36 B 15 LEU middle . . 37 B 16 TYR middle . . 38 B 17 LEU middle . . 39 B 18 VAL middle . . 40 B 19 CYS middle -HG . 41 B 20 GLY middle . false 42 B 21 GLU middle . . 43 B 22 ARG middle . . 44 B 23 GLY middle . false 45 B 24 PHE middle . . 46 B 25 PHE middle . . 47 B 26 TYR middle . . 48 B 27 THR middle . . 49 B 28 PRO middle . false 50 B 29 LYS middle . . 51 B 30 THR 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 1 GLY HAx H 1 4.031 0.015 A 1 GLY HAy H 1 4.031 0.015 A 1 GLY CA C 13 43.476 0.100 A 2 ILE H H 1 8.536 0.015 A 2 ILE HA H 1 3.977 0.015 A 2 ILE HB H 1 1.229 0.015 A 2 ILE HD1% H 1 0.653 0.015 A 2 ILE HG1y H 1 1.201 0.015 A 2 ILE HG1x H 1 0.986 0.015 A 2 ILE HG2% H 1 0.789 0.015 A 2 ILE CB C 13 34.077 0.100 A 2 ILE CD1 C 13 14.119 0.100 A 2 ILE CG1 C 13 28.104 0.100 A 2 ILE CG2 C 13 16.814 0.100 A 2 ILE N N 15 123.472 0.100 A 3 VAL H H 1 8.149 0.015 A 3 VAL HA H 1 3.685 0.015 A 3 VAL HB H 1 1.949 0.015 A 3 VAL HGx% H 1 0.952 0.015 A 3 VAL HGy% H 1 0.903 0.015 A 3 VAL CA C 13 65.327 0.100 A 3 VAL CB C 13 32.064 0.100 A 3 VAL CGy C 13 21.491 0.100 A 3 VAL CGx C 13 21.183 0.100 A 3 VAL N N 15 125.51 0.100 A 4 GLU H H 1 8.161 0.015 A 4 GLU HA H 1 4.275 0.015 A 4 GLU HBx H 1 2.119 0.015 A 4 GLU HBy H 1 2.119 0.015 A 4 GLU HGx H 1 2.521 0.015 A 4 GLU HGy H 1 2.521 0.015 A 4 GLU CA C 13 57.314 0.100 A 4 GLU CB C 13 27.989 0.100 A 4 GLU CG C 13 33.09 0.100 A 4 GLU N N 15 125.884 0.100 A 5 GLN H H 1 8.299 0.015 A 5 GLN HA H 1 4.1 0.015 A 5 GLN HBy H 1 2.133 0.015 A 5 GLN HBx H 1 2.095 0.015 A 5 GLN HE2x H 1 6.925 0.015 A 5 GLN HE2y H 1 7.542 0.015 A 5 GLN HGy H 1 2.508 0.015 A 5 GLN HGx H 1 2.429 0.015 A 5 GLN CA C 13 58.845 0.100 A 5 GLN CB C 13 29.325 0.100 A 5 GLN CG C 13 34.115 0.100 A 5 GLN NE2 N 15 113.918 0.100 A 6 CYS H H 1 8.337 0.015 A 6 CYS HA H 1 4.946 0.015 A 6 CYS HBx H 1 2.895 0.015 A 6 CYS HBy H 1 3.373 0.015 A 7 CYS H H 1 8.297 0.015 A 7 CYS HA H 1 4.869 0.015 A 7 CYS HBx H 1 3.327 0.015 A 7 CYS HBy H 1 3.801 0.015 A 7 CYS CA C 13 57.236 0.100 A 7 CYS CB C 13 38.994 0.100 A 8 THR H H 1 8.27 0.015 A 8 THR HA H 1 4.087 0.015 A 8 THR HB H 1 4.423 0.015 A 8 THR HG2% H 1 1.27 0.015 A 8 THR CA C 13 64.845 0.100 A 8 THR CB C 13 68.652 0.100 A 8 THR CG2 C 13 22.316 0.100 A 8 THR N N 15 122.151 0.100 A 9 SER H H 1 7.471 0.015 A 9 SER HA H 1 4.801 0.015 A 9 SER HBy H 1 4.058 0.015 A 9 SER HBx H 1 3.915 0.015 A 9 SER CA C 13 56.219 0.100 A 9 SER CB C 13 64.263 0.100 A 10 ILE H H 1 7.857 0.015 A 10 ILE HA H 1 4.378 0.015 A 10 ILE HB H 1 1.581 0.015 A 10 ILE HD1% H 1 0.527 0.015 A 10 ILE HG1y H 1 1.095 0.015 A 10 ILE HG1x H 1 0.447 0.015 A 10 ILE HG2% H 1 0.657 0.015 A 10 ILE CA C 13 60.082 0.100 A 10 ILE CB C 13 39.241 0.100 A 10 ILE CD1 C 13 12.557 0.100 A 10 ILE CG1 C 13 27.086 0.100 A 10 ILE CG2 C 13 17.49 0.100 A 10 ILE N N 15 119.738 0.100 A 11 CYS H H 1 9.732 0.015 A 12 SER H H 1 8.788 0.015 A 12 SER HA H 1 4.616 0.015 A 12 SER HBy H 1 4.331 0.015 A 12 SER HBx H 1 4.023 0.015 A 12 SER CA C 13 56.713 0.100 A 12 SER CB C 13 65.844 0.100 A 12 SER N N 15 119.584 0.100 A 13 LEU H H 1 8.647 0.015 A 13 LEU HA H 1 3.871 0.015 A 13 LEU HBx H 1 1.358 0.015 A 13 LEU HBy H 1 1.358 0.015 A 13 LEU HDx% H 1 0.811 0.015 A 13 LEU HDy% H 1 0.752 0.015 A 13 LEU HG H 1 1.431 0.015 A 13 LEU CA C 13 58.502 0.100 A 13 LEU CB C 13 41.333 0.100 A 13 LEU CG C 13 27.026 0.100 A 13 LEU N N 15 123.958 0.100 A 14 TYR H H 1 7.509 0.015 A 14 TYR HA H 1 4.176 0.015 A 14 TYR HBx H 1 2.917 0.015 A 14 TYR HBy H 1 3.013 0.015 A 14 TYR HDx H 1 7.07 0.015 A 14 TYR HDy H 1 7.07 0.015 A 14 TYR HEx H 1 6.844 0.015 A 14 TYR HEy H 1 6.844 0.015 A 14 TYR CA C 13 60.217 0.100 A 14 TYR CB C 13 37.838 0.100 A 14 TYR N N 15 117.677 0.100 A 15 GLN H H 1 7.576 0.015 A 15 GLN HA H 1 4.005 0.015 A 15 GLN HBx H 1 2.053 0.015 A 15 GLN HBy H 1 2.408 0.015 A 15 GLN HE2x H 1 6.973 0.015 A 15 GLN HE2y H 1 7.521 0.015 A 15 GLN HGy H 1 2.46 0.015 A 15 GLN HGx H 1 2.415 0.015 A 15 GLN CA C 13 58.674 0.100 A 15 GLN CB C 13 29.196 0.100 A 15 GLN CG C 13 35.235 0.100 A 15 GLN N N 15 120.146 0.100 A 15 GLN NE2 N 15 113.922 0.100 A 16 LEU H H 1 8.116 0.015 A 16 LEU HA H 1 4.191 0.015 A 16 LEU HBy H 1 1.944 0.015 A 16 LEU HBx H 1 1.606 0.015 A 16 LEU HDx% H 1 0.861 0.015 A 16 LEU HDy% H 1 0.812 0.015 A 16 LEU HG H 1 1.758 0.015 A 16 LEU CA C 13 58.313 0.100 A 16 LEU CB C 13 42.194 0.100 A 16 LEU CDy C 13 25.784 0.100 A 16 LEU CDx C 13 25.244 0.100 A 16 LEU CG C 13 27.118 0.100 A 16 LEU N N 15 122.31 0.100 A 17 GLU H H 1 8.099 0.015 A 17 GLU HA H 1 4.21 0.015 A 17 GLU HBy H 1 2.132 0.015 A 17 GLU HBx H 1 2.059 0.015 A 17 GLU HGx H 1 2.362 0.015 A 17 GLU HGy H 1 2.594 0.015 A 17 GLU CA C 13 57.744 0.100 A 17 GLU CB C 13 27.748 0.100 A 17 GLU CG C 13 33.647 0.100 A 17 GLU N N 15 116.342 0.100 A 18 ASN H H 1 7.447 0.015 A 18 ASN HA H 1 4.501 0.015 A 18 ASN HBy H 1 2.641 0.015 A 18 ASN HBx H 1 2.565 0.015 A 18 ASN HD2x H 1 6.558 0.015 A 18 ASN HD2y H 1 7.192 0.015 A 18 ASN CA C 13 54.944 0.100 A 18 ASN CB C 13 38.593 0.100 A 18 ASN ND2 N 15 113.957 0.100 A 19 TYR H H 1 7.934 0.015 A 19 TYR HA H 1 4.48 0.015 A 19 TYR HBx H 1 3.003 0.015 A 19 TYR HBy H 1 3.359 0.015 A 19 TYR HDx H 1 7.351 0.015 A 19 TYR HDy H 1 7.351 0.015 A 19 TYR HEx H 1 6.776 0.015 A 19 TYR HEy H 1 6.776 0.015 A 19 TYR CA C 13 59.21 0.100 A 19 TYR CB C 13 38.297 0.100 A 19 TYR N N 15 118.955 0.100 A 20 CYS H H 1 7.457 0.015 A 20 CYS HA H 1 4.903 0.015 A 20 CYS HBx H 1 2.859 0.015 A 20 CYS HBy H 1 3.266 0.015 A 20 CYS CA C 13 53.902 0.100 A 20 CYS CB C 13 36.186 0.100 A 20 CYS N N 15 118.333 0.100 A 21 ASN H H 1 8.263 0.015 A 21 ASN HA H 1 4.747 0.015 A 21 ASN HBy H 1 2.888 0.015 A 21 ASN HBx H 1 2.76 0.015 A 21 ASN HD2x H 1 6.705 0.015 A 21 ASN HD2y H 1 7.524 0.015 A 21 ASN CA C 13 52.653 0.100 A 21 ASN CB C 13 38.578 0.100 A 21 ASN ND2 N 15 114.129 0.100 B 1 PHE HA H 1 4.279 0.015 B 1 PHE HBx H 1 3.176 0.015 B 1 PHE HBy H 1 3.176 0.015 B 1 PHE HDx H 1 7.232 0.015 B 1 PHE HDy H 1 7.232 0.015 B 1 PHE HEx H 1 7.367 0.015 B 1 PHE HEy H 1 7.367 0.015 B 1 PHE HZ H 1 7.298 0.015 B 1 PHE CA C 13 61.482 0.100 B 1 PHE CB C 13 39.88 0.100 B 2 VAL H H 1 8.16 0.015 B 2 VAL HA H 1 4.148 0.015 B 2 VAL HB H 1 1.91 0.015 B 2 VAL HGx% H 1 0.871 0.015 B 2 VAL HGy% H 1 0.871 0.015 B 2 VAL CA C 13 61.147 0.100 B 2 VAL CB C 13 33.405 0.100 B 2 VAL CGx C 13 20.443 0.100 B 2 VAL N N 15 123.843 0.100 B 3 ASN H H 1 8.505 0.015 B 3 ASN HA H 1 4.741 0.015 B 3 ASN HBx H 1 2.737 0.015 B 3 ASN HBy H 1 2.737 0.015 B 3 ASN HD2x H 1 6.936 0.015 B 3 ASN HD2y H 1 7.554 0.015 B 3 ASN CA C 13 53.334 0.100 B 3 ASN CB C 13 38.544 0.100 B 3 ASN N N 15 126.187 0.100 B 3 ASN ND2 N 15 113.709 0.100 B 4 GLN H H 1 8.45 0.015 B 4 GLN HA H 1 4.515 0.015 B 4 GLN HBx H 1 1.933 0.015 B 4 GLN HBy H 1 2.121 0.015 B 4 GLN HE2x H 1 6.825 0.015 B 4 GLN HE2y H 1 7.362 0.015 B 4 GLN HGy H 1 2.287 0.015 B 4 GLN HGx H 1 2.161 0.015 B 4 GLN CA C 13 54.944 0.100 B 4 GLN CB C 13 31.352 0.100 B 4 GLN CG C 13 33.282 0.100 B 4 GLN N N 15 122.007 0.100 B 4 GLN NE2 N 15 113.661 0.100 B 5 HIS H H 1 8.666 0.015 B 5 HIS HA H 1 4.47 0.015 B 5 HIS HBy H 1 3.578 0.015 B 5 HIS HBx H 1 3.276 0.015 B 5 HIS HD2 H 1 7.408 0.015 B 5 HIS HE1 H 1 8.601 0.015 B 5 HIS CA C 13 57.03 0.100 B 5 HIS CB C 13 28.402 0.100 B 5 HIS N N 15 121.488 0.100 B 6 LEU H H 1 9.018 0.015 B 6 LEU HA H 1 4.536 0.015 B 6 LEU HBy H 1 1.789 0.015 B 6 LEU HBx H 1 0.896 0.015 B 6 LEU HDx% H 1 0.91 0.015 B 6 LEU HDy% H 1 0.749 0.015 B 6 LEU HG H 1 1.629 0.015 B 6 LEU CA C 13 54.153 0.100 B 6 LEU CB C 13 45.036 0.100 B 6 LEU CDx C 13 26.287 0.100 B 6 LEU CG C 13 25.793 0.100 B 7 CYS H H 1 8.366 0.015 B 7 CYS HA H 1 5.009 0.015 B 7 CYS HBy H 1 3.247 0.015 B 7 CYS HBx H 1 2.981 0.015 B 7 CYS CB C 13 47.553 0.100 B 7 CYS N N 15 121.093 0.100 B 8 GLY H H 1 9.289 0.015 B 8 GLY HAy H 1 4.03 0.015 B 8 GLY HAx H 1 3.874 0.015 B 8 GLY CA C 13 46.787 0.100 B 9 SER H H 1 9.119 0.015 B 9 SER HA H 1 4.146 0.015 B 9 SER HBx H 1 3.921 0.015 B 9 SER HBy H 1 3.921 0.015 B 9 SER CA C 13 61.778 0.100 B 9 SER CB C 13 62.5 0.100 B 10 HIS H H 1 8.035 0.015 B 10 HIS HA H 1 4.545 0.015 B 10 HIS HBy H 1 3.607 0.015 B 10 HIS HBx H 1 3.328 0.015 B 10 HIS HD2 H 1 7.493 0.015 B 10 HIS HE1 H 1 8.705 0.015 B 10 HIS CA C 13 57.548 0.100 B 10 HIS CB C 13 28.082 0.100 B 10 HIS N N 15 121.196 0.100 B 11 LEU H H 1 7.103 0.015 B 11 LEU HA H 1 4.038 0.015 B 11 LEU HBy H 1 1.911 0.015 B 11 LEU HBx H 1 1.261 0.015 B 11 LEU HDx% H 1 0.75 0.015 B 11 LEU HDy% H 1 0.801 0.015 B 11 LEU HG H 1 1.335 0.015 B 11 LEU CA C 13 57.773 0.100 B 11 LEU CB C 13 40.317 0.100 B 11 LEU CG C 13 27.295 0.100 B 12 VAL H H 1 7.179 0.015 B 12 VAL HA H 1 3.345 0.015 B 12 VAL HB H 1 2.067 0.015 B 12 VAL HGx% H 1 0.961 0.015 B 12 VAL HGy% H 1 0.961 0.015 B 12 VAL CA C 13 66.791 0.100 B 12 VAL CB C 13 31.759 0.100 B 12 VAL CGx C 13 22.227 0.100 B 13 GLU H H 1 7.952 0.015 B 13 GLU HA H 1 4.124 0.015 B 13 GLU HBy H 1 2.192 0.015 B 13 GLU HBx H 1 2.108 0.015 B 13 GLU HGx H 1 2.561 0.015 B 13 GLU HGy H 1 2.561 0.015 B 13 GLU CA C 13 58.687 0.100 B 13 GLU CB C 13 28.101 0.100 B 13 GLU CG C 13 32.839 0.100 B 13 GLU N N 15 119.006 0.100 B 14 ALA H H 1 7.758 0.015 B 14 ALA HA H 1 4.114 0.015 B 14 ALA HB% H 1 1.511 0.015 B 14 ALA CA C 13 55.413 0.100 B 14 ALA CB C 13 19.153 0.100 B 14 ALA N N 15 123.146 0.100 B 15 LEU H H 1 8.071 0.015 B 15 LEU HA H 1 3.912 0.015 B 15 LEU HBx H 1 1.371 0.015 B 15 LEU HBy H 1 1.371 0.015 B 15 LEU HDx% H 1 0.499 0.015 B 15 LEU HDy% H 1 0.69 0.015 B 15 LEU HG H 1 1.513 0.015 B 15 LEU CA C 13 57.731 0.100 B 15 LEU CB C 13 41.333 0.100 B 15 LEU CDy C 13 25.692 0.100 B 15 LEU CDx C 13 24.174 0.100 B 15 LEU CG C 13 26.874 0.100 B 15 LEU N N 15 120.025 0.100 B 16 TYR H H 1 8.168 0.015 B 16 TYR HA H 1 4.273 0.015 B 16 TYR HBx H 1 3.158 0.015 B 16 TYR HBy H 1 3.158 0.015 B 16 TYR HDx H 1 7.149 0.015 B 16 TYR HDy H 1 7.149 0.015 B 16 TYR HEx H 1 6.789 0.015 B 16 TYR HEy H 1 6.789 0.015 B 16 TYR CA C 13 57.314 0.100 B 16 TYR CB C 13 37.923 0.100 B 16 TYR N N 15 121.6 0.100 B 17 LEU H H 1 7.854 0.015 B 17 LEU HA H 1 4.115 0.015 B 17 LEU HBx H 1 1.68 0.015 B 17 LEU HBy H 1 1.941 0.015 B 17 LEU HDx% H 1 0.955 0.015 B 17 LEU HDy% H 1 0.928 0.015 B 17 LEU HG H 1 1.858 0.015 B 17 LEU CA C 13 57.77 0.100 B 17 LEU CB C 13 42.37 0.100 B 17 LEU CDy C 13 24.978 0.100 B 17 LEU CDx C 13 23.487 0.100 B 17 LEU CG C 13 26.941 0.100 B 17 LEU N N 15 121.347 0.100 B 18 VAL H H 1 8.557 0.015 B 18 VAL HA H 1 3.878 0.015 B 18 VAL HB H 1 2.121 0.015 B 18 VAL HGx% H 1 0.897 0.015 B 18 VAL HGy% H 1 1.037 0.015 B 18 VAL CA C 13 65.326 0.100 B 18 VAL CB C 13 32.456 0.100 B 18 VAL CGx C 13 21.575 0.100 B 18 VAL CGy C 13 22.459 0.100 B 18 VAL N N 15 119.148 0.100 B 19 CYS H H 1 8.753 0.015 B 19 CYS HA H 1 4.799 0.015 B 19 CYS HBx H 1 2.949 0.015 B 19 CYS HBy H 1 3.262 0.015 B 19 CYS CA C 13 54.608 0.100 B 19 CYS CB C 13 36.568 0.100 B 19 CYS N N 15 118.466 0.100 B 20 GLY H H 1 7.749 0.015 B 20 GLY HAx H 1 3.964 0.015 B 20 GLY HAy H 1 3.964 0.015 B 20 GLY CA C 13 46.5 0.100 B 20 GLY N N 15 110.588 0.100 B 21 GLU H H 1 8.433 0.015 B 21 GLU HA H 1 4.245 0.015 B 21 GLU HBy H 1 2.204 0.015 B 21 GLU HBx H 1 2.111 0.015 B 21 GLU HGx H 1 2.545 0.015 B 21 GLU HGy H 1 2.545 0.015 B 21 GLU CA C 13 57.055 0.100 B 21 GLU CB C 13 28.065 0.100 B 21 GLU CG C 13 33.331 0.100 B 21 GLU N N 15 123.493 0.100 B 22 ARG H H 1 8.004 0.015 B 22 ARG HA H 1 4.23 0.015 B 22 ARG HBy H 1 1.989 0.015 B 22 ARG HBx H 1 1.95 0.015 B 22 ARG HDx H 1 3.276 0.015 B 22 ARG HDy H 1 3.276 0.015 B 22 ARG HE H 1 7.151 0.015 B 22 ARG HGy H 1 1.796 0.015 B 22 ARG HGx H 1 1.765 0.015 B 22 ARG CB C 13 30.697 0.100 B 22 ARG CD C 13 43.779 0.100 B 22 ARG CG C 13 27.322 0.100 B 22 ARG N N 15 120.397 0.100 B 23 GLY H H 1 7.72 0.015 B 23 GLY HAx H 1 3.848 0.015 B 23 GLY HAy H 1 4.029 0.015 B 23 GLY CA C 13 45.089 0.100 B 23 GLY N N 15 107.58 0.100 B 24 PHE H H 1 7.752 0.015 B 24 PHE HA H 1 4.843 0.015 B 24 PHE HBx H 1 2.937 0.015 B 24 PHE HBy H 1 3.135 0.015 B 24 PHE HDx H 1 6.945 0.015 B 24 PHE HDy H 1 6.945 0.015 B 24 PHE HEx H 1 7.096 0.015 B 24 PHE HEy H 1 7.096 0.015 B 24 PHE CA C 13 57.069 0.100 B 24 PHE CB C 13 40.757 0.100 B 24 PHE N N 15 119.128 0.100 B 25 PHE H H 1 8.257 0.015 B 25 PHE HA H 1 4.694 0.015 B 25 PHE HBy H 1 3.132 0.015 B 25 PHE HBx H 1 3.047 0.015 B 25 PHE HDx H 1 7.207 0.015 B 25 PHE HDy H 1 7.207 0.015 B 25 PHE HEx H 1 7.289 0.015 B 25 PHE HEy H 1 7.289 0.015 B 25 PHE HZ H 1 7.253 0.015 B 25 PHE CA C 13 57.236 0.100 B 25 PHE CB C 13 40.049 0.100 B 26 TYR H H 1 7.989 0.015 B 26 TYR HA H 1 4.638 0.015 B 26 TYR HBx H 1 2.936 0.015 B 26 TYR HBy H 1 2.936 0.015 B 26 TYR HDx H 1 7.012 0.015 B 26 TYR HDy H 1 7.012 0.015 B 26 TYR HEx H 1 6.757 0.015 B 26 TYR HEy H 1 6.757 0.015 B 26 TYR CA C 13 57.906 0.100 B 26 TYR N N 15 123.764 0.100 B 27 THR H H 1 7.816 0.015 B 27 THR HA H 1 4.584 0.015 B 27 THR HB H 1 4.087 0.015 B 27 THR HG2% H 1 1.204 0.015 B 27 THR CA C 13 58.966 0.100 B 27 THR CB C 13 70.179 0.100 B 27 THR CG2 C 13 21.272 0.100 B 27 THR N N 15 121.08 0.100 B 28 PRO HA H 1 4.356 0.015 B 28 PRO HBy H 1 2.257 0.015 B 28 PRO HBx H 1 1.939 0.015 B 28 PRO HDy H 1 3.689 0.015 B 28 PRO HDx H 1 3.631 0.015 B 28 PRO HGy H 1 2.015 0.015 B 28 PRO HGx H 1 1.949 0.015 B 28 PRO CA C 13 63.028 0.100 B 28 PRO CB C 13 32.163 0.100 B 28 PRO CD C 13 50.99 0.100 B 28 PRO CG C 13 27.27 0.100 B 29 LYS H H 1 8.26 0.015 B 29 LYS HA H 1 4.406 0.015 B 29 LYS HBy H 1 1.885 0.015 B 29 LYS HBx H 1 1.785 0.015 B 29 LYS HDx H 1 1.709 0.015 B 29 LYS HDy H 1 1.709 0.015 B 29 LYS HEx H 1 3.009 0.015 B 29 LYS HEy H 1 3.009 0.015 B 29 LYS HGy H 1 1.513 0.015 B 29 LYS HGx H 1 1.485 0.015 B 29 LYS HZ1 H 1 7.508 0.015 B 29 LYS HZ2 H 1 7.508 0.015 B 29 LYS HZ3 H 1 7.508 0.015 B 29 LYS CA C 13 56.333 0.100 B 29 LYS CB C 13 33.24 0.100 B 29 LYS CD C 13 29.101 0.100 B 29 LYS CG C 13 24.781 0.100 B 30 THR H H 1 8.075 0.015 B 30 THR HA H 1 4.479 0.015 B 30 THR HB H 1 4.418 0.015 B 30 THR HG2% H 1 1.197 0.015 B 30 THR CA C 13 60.849 0.100 B 30 THR CB C 13 70.123 0.100 B 30 THR CG2 C 13 21.695 0.100 B 30 THR N N 15 116.911 0.100 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 B 8 GLY H B 7 CYS HBx 1.0 0.0 4.79 2 2 B 8 GLY H B 7 CYS HBy 1.0 0.0 4.79 3 3 A 10 ILE HG2% A 11 CYS H 1.0 0.0 4.66 4 4 B 9 SER H B 9 SER HBx 1.0 0.0 3.59 5 4 B 9 SER H B 9 SER HBy 1.0 0.0 3.59 6 5 A 7 CYS HA B 6 LEU H 1.0 0.0 4.24 7 6 B 6 LEU H B 5 HIS HBy 1.0 0.0 4.76 8 7 B 6 LEU H B 5 HIS HBx 1.0 0.0 4.76 9 8 A 12 SER H A 12 SER HBx 1.0 0.0 4.12 10 9 A 12 SER H A 12 SER HBy 1.0 0.0 4.12 11 10 B 5 HIS H B 5 HIS HBy 1.0 0.0 3.77 12 11 B 5 HIS H B 5 HIS HBx 1.0 0.0 3.77 13 12 B 19 CYS H B 19 CYS HBy 1.0 0.0 3.73 14 13 B 19 CYS H B 19 CYS HBx 1.0 0.0 3.73 15 14 A 13 LEU H A 12 SER HBx 1.0 0.0 3.92 16 15 A 13 LEU H A 14 TYR HA 1.0 0.0 5.47 17 16 A 13 LEU H A 12 SER HBy 1.0 0.0 3.92 18 17 A 13 LEU H A 12 SER HA 1.0 0.0 2.78 19 18 B 5 HIS H B 4 GLN HA 1.0 0.0 2.85 20 19 B 3 ASN HA B 4 GLN H 1.0 0.0 2.74 21 20 B 2 VAL HA B 3 ASN H 1.0 0.0 2.50 22 21 B 6 LEU HA B 7 CYS H 1.0 0.0 2.93 23 22 B 7 CYS H B 10 HIS HBy 1.0 0.0 4.21 24 23 B 7 CYS H B 7 CYS HBy 1.0 0.0 3.96 25 24 B 3 ASN H B 3 ASN HBx 1.0 0.0 2.80 26 24 B 3 ASN H B 3 ASN HBy 1.0 0.0 2.80 27 25 B 4 GLN H B 3 ASN HBx 1.0 0.0 3.62 28 25 B 4 GLN H B 3 ASN HBy 1.0 0.0 3.62 29 26 B 7 CYS H B 7 CYS HBx 1.0 0.0 3.96 30 27 A 7 CYS H A 7 CYS HBy 1.0 0.0 3.91 31 28 A 7 CYS H A 7 CYS HBx 1.0 0.0 3.91 32 29 B 10 HIS H B 10 HIS HBy 1.0 0.0 3.74 33 30 B 10 HIS H B 10 HIS HBx 1.0 0.0 3.74 34 31 A 19 TYR H A 19 TYR HBy 1.0 0.0 4.04 35 32 A 19 TYR H A 19 TYR HBx 1.0 0.0 3.36 36 33 A 18 ASN H A 18 ASN HBx 1.0 0.0 3.71 37 34 A 18 ASN H A 18 ASN HBy 1.0 0.0 3.71 38 35 A 10 ILE H A 9 SER HBx 1.0 0.0 4.25 39 36 A 10 ILE H A 9 SER HBy 1.0 0.0 4.25 40 37 A 20 CYS HA A 21 ASN H 1.0 0.0 3.04 41 38 A 19 TYR HBy A 20 CYS H 1.0 0.0 4.25 42 39 A 19 TYR HBx A 20 CYS H 1.0 0.0 4.21 43 40 A 20 CYS H A 20 CYS HBx 1.0 0.0 3.77 44 41 A 18 ASN H A 16 LEU HA 1.0 0.0 4.12 45 42 A 13 LEU HA A 16 LEU H 1.0 0.0 3.78 46 43 B 1 PHE HA B 2 VAL H 1.0 0.0 2.74 47 44 B 27 THR H B 27 THR HG2% 1.0 0.0 3.86 48 45 B 14 ALA H B 14 ALA HB% 1.0 0.0 2.86 49 46 B 20 GLY H B 20 GLY HAx 1.0 0.0 2.92 50 46 B 20 GLY H B 20 GLY HAy 1.0 0.0 2.92 51 47 A 10 ILE HG2% A 10 ILE H 1.0 0.0 4.33 52 48 B 14 ALA HB% B 15 LEU H 1.0 0.0 3.06 53 49 B 15 LEU H B 15 LEU HG 1.0 0.0 3.54 54 50 B 16 TYR H B 16 TYR HBx 1.0 0.0 2.83 55 50 B 16 TYR H B 16 TYR HBy 1.0 0.0 2.83 56 51 B 17 LEU H B 16 TYR HBx 1.0 0.0 3.83 57 51 B 16 TYR HBy B 17 LEU H 1.0 0.0 3.83 58 52 B 29 LYS HA B 30 THR H 1.0 0.0 3.01 59 53 B 28 PRO HA B 29 LYS H 1.0 0.0 2.74 60 54 A 7 CYS H A 4 GLU HA 1.0 0.0 5.21 61 55 A 2 ILE H A 1 GLY HAx 1.0 0.0 2.78 62 55 A 1 GLY HAy A 2 ILE H 1.0 0.0 2.78 63 56 B 21 GLU H B 20 GLY HAx 1.0 0.0 3.26 64 56 B 20 GLY HAy B 21 GLU H 1.0 0.0 3.26 65 57 B 10 HIS HA B 10 HIS HD2 1.0 0.0 3.92 66 58 B 5 HIS HD2 B 5 HIS HBy 1.0 0.0 3.66 67 59 B 5 HIS HD2 B 5 HIS HBx 1.0 0.0 3.66 68 60 B 25 PHE HA B 26 TYR H 1.0 0.0 3.01 69 61 B 27 THR H B 26 TYR HA 1.0 0.0 2.97 70 62 B 27 THR H B 27 THR HB 1.0 0.0 3.86 71 63 B 20 GLY H B 19 CYS HBx 1.0 0.0 4.48 72 64 B 26 TYR H B 26 TYR HBx 1.0 0.0 3.19 73 64 B 26 TYR H B 26 TYR HBy 1.0 0.0 3.19 74 65 A 21 ASN H A 21 ASN HBx 1.0 0.0 3.54 75 66 A 21 ASN H A 21 ASN HBy 1.0 0.0 3.54 76 67 B 22 ARG H B 22 ARG HDx 1.0 0.0 4.24 77 67 B 22 ARG H B 22 ARG HDy 1.0 0.0 4.24 78 68 A 2 ILE H A 2 ILE HD1% 1.0 0.0 4.60 79 69 A 14 TYR HA A 14 TYR HD% 1.0 0.0 3.16 80 70 B 24 PHE HE% B 16 TYR HBx 1.0 0.0 3.97 81 70 B 16 TYR HBy B 24 PHE HE% 1.0 0.0 3.97 82 71 B 1 PHE HA B 1 PHE HD% 1.0 0.0 3.42 83 72 A 6 CYS H A 6 CYS HBy 1.0 0.0 4.05 84 73 A 19 TYR H A 16 LEU HA 1.0 0.0 3.77 85 74 A 9 SER HA B 5 HIS HE1 1.0 0.0 3.07 86 75 B 13 GLU H B 13 GLU HGx 1.0 0.0 3.57 87 75 B 13 GLU H B 13 GLU HGy 1.0 0.0 3.57 88 76 B 17 LEU H B 17 LEU HBy 1.0 0.0 3.88 89 77 B 17 LEU H B 17 LEU HG 1.0 0.0 4.08 90 78 B 17 LEU H B 17 LEU HBx 1.0 0.0 4.09 91 79 B 14 ALA H B 6 LEU HDx% 1.0 0.0 5.32 92 80 B 13 GLU H B 12 VAL HGx% 1.0 0.0 3.53 93 80 B 13 GLU H B 12 VAL HGy% 1.0 0.0 3.53 94 81 B 5 HIS H B 4 GLN HBx 1.0 0.0 3.52 95 82 B 5 HIS H A 10 ILE HD1% 1.0 0.0 4.16 96 83 A 13 LEU H A 13 LEU HDy% 1.0 0.0 4.10 97 84 A 13 LEU H A 13 LEU HBx 1.0 0.0 3.00 98 84 A 13 LEU H A 13 LEU HBy 1.0 0.0 3.00 99 85 A 13 LEU H A 13 LEU HG 1.0 0.0 3.72 100 86 A 2 ILE H A 2 ILE HG2% 1.0 0.0 3.05 101 87 B 15 LEU HA B 15 LEU HDy% 1.0 0.0 3.97 102 88 A 10 ILE HG2% A 10 ILE HA 1.0 0.0 3.45 103 89 A 10 ILE HG2% B 3 ASN HBx 1.0 0.0 3.17 104 89 A 10 ILE HG2% B 3 ASN HBy 1.0 0.0 3.17 105 90 B 12 VAL HA B 12 VAL HGx% 1.0 0.0 2.92 106 90 B 12 VAL HGy% B 12 VAL HA 1.0 0.0 2.92 107 91 B 15 LEU H B 15 LEU HDx% 1.0 0.0 4.29 108 92 A 16 LEU HA A 19 TYR HE% 1.0 0.0 3.63 109 93 A 19 TYR HE% A 19 TYR HA 1.0 0.0 4.71 110 94 A 16 LEU HA A 19 TYR HD% 1.0 0.0 2.96 111 95 B 3 ASN HA B 1 PHE HE% 1.0 0.0 3.89 112 96 A 15 GLN HA A 15 GLN HE2y 1.0 0.0 5.01 113 97 B 16 TYR HA B 16 TYR HD% 1.0 0.0 3.26 114 98 B 4 GLN H B 4 GLN HBx 1.0 0.0 4.17 115 99 A 10 ILE HG2% B 4 GLN H 1.0 0.0 3.81 116 100 B 4 GLN H B 2 VAL HGx% 1.0 0.0 4.85 117 100 B 4 GLN H B 2 VAL HGy% 1.0 0.0 4.85 118 101 B 27 THR H B 26 TYR H 1.0 0.0 4.51 119 102 B 26 TYR H B 26 TYR HD% 1.0 0.0 4.56 120 103 B 26 TYR H B 25 PHE HD% 1.0 0.0 4.37 121 104 A 16 LEU H A 15 GLN H 1.0 0.0 3.24 122 105 B 24 PHE H B 24 PHE HD% 1.0 0.0 3.65 123 106 B 27 THR H B 26 TYR HD% 1.0 0.0 4.16 124 107 A 14 TYR HD% A 15 GLN H 1.0 0.0 4.29 125 108 A 4 GLU H A 4 GLU HGx 1.0 0.0 4.00 126 108 A 4 GLU H A 4 GLU HGy 1.0 0.0 4.00 127 109 A 16 LEU H A 16 LEU HBx 1.0 0.0 3.99 128 110 A 16 LEU HBx A 17 GLU H 1.0 0.0 4.24 129 111 A 16 LEU H A 16 LEU HG 1.0 0.0 3.85 130 112 A 16 LEU H A 16 LEU HBy 1.0 0.0 3.33 131 113 B 14 ALA HB% B 6 LEU HDx% 1.0 0.0 3.82 132 114 A 2 ILE HD1% A 2 ILE HA 1.0 0.0 4.63 133 115 A 16 LEU HBy B 18 VAL HGy% 1.0 0.0 3.65 134 116 B 14 ALA HB% B 18 VAL HGy% 1.0 0.0 3.81 135 117 B 15 LEU HA B 18 VAL HGy% 1.0 0.0 3.43 136 118 B 15 LEU HA B 15 LEU HDx% 1.0 0.0 3.97 137 119 B 3 ASN H B 2 VAL HGx% 1.0 0.0 3.24 138 119 B 3 ASN H B 2 VAL HGy% 1.0 0.0 3.24 139 120 B 7 CYS H B 6 LEU HBx 1.0 0.0 4.62 140 121 A 17 GLU H A 17 GLU HGy 1.0 0.0 3.69 141 122 A 17 GLU H A 17 GLU HGx 1.0 0.0 3.69 142 123 A 16 LEU H A 15 GLN HBx 1.0 0.0 3.37 143 124 A 16 LEU H B 18 VAL HGy% 1.0 0.0 5.01 144 125 A 17 GLU H B 18 VAL HGy% 1.0 0.0 5.36 145 126 A 2 ILE HG2% A 3 VAL H 1.0 0.0 3.13 146 127 B 24 PHE HE% B 12 VAL HGx% 1.0 0.0 3.01 147 127 B 24 PHE HE% B 12 VAL HGy% 1.0 0.0 3.01 148 128 B 16 TYR HD% B 13 GLU HA 1.0 0.0 3.52 149 129 A 6 CYS H A 5 GLN HBy 1.0 0.0 4.13 150 130 A 6 CYS H A 5 GLN HBx 1.0 0.0 4.13 151 131 A 15 GLN H A 15 GLN HBx 1.0 0.0 3.74 152 132 A 6 CYS H A 6 CYS HBx 1.0 0.0 4.05 153 133 A 8 THR H A 8 THR HG2% 1.0 0.0 4.32 154 134 B 30 THR H B 30 THR HG2% 1.0 0.0 4.36 155 135 B 18 VAL H B 18 VAL HB 1.0 0.0 3.33 156 136 B 12 VAL H B 12 VAL HB 1.0 0.0 3.69 157 137 A 4 GLU H A 4 GLU HBx 1.0 0.0 3.13 158 137 A 4 GLU H A 4 GLU HBy 1.0 0.0 3.13 159 138 B 13 GLU H B 13 GLU HBy 1.0 0.0 3.42 160 139 B 13 GLU H B 13 GLU HBx 1.0 0.0 3.70 161 140 B 4 GLN H B 4 GLN HBy 1.0 0.0 4.10 162 141 B 21 GLU H B 21 GLU HGx 1.0 0.0 4.37 163 141 B 21 GLU H B 21 GLU HGy 1.0 0.0 4.37 164 142 B 6 LEU H B 6 LEU HG 1.0 0.0 4.65 165 143 B 29 LYS H B 29 LYS HBy 1.0 0.0 3.90 166 144 B 29 LYS H B 29 LYS HBx 1.0 0.0 3.90 167 145 B 29 LYS H B 29 LYS HGy 1.0 0.0 4.37 168 146 B 29 LYS H B 29 LYS HGx 1.0 0.0 4.37 169 147 B 22 ARG H B 22 ARG HBx 1.0 0.0 3.68 170 148 B 22 ARG H B 22 ARG HBy 1.0 0.0 3.68 171 149 B 22 ARG H B 22 ARG HGy 1.0 0.0 4.24 172 150 B 22 ARG H B 22 ARG HGx 1.0 0.0 4.24 173 151 A 16 LEU H A 16 LEU HDy% 1.0 0.0 5.06 174 152 A 16 LEU H A 16 LEU HDx% 1.0 0.0 5.06 175 153 B 17 LEU H B 17 LEU HDy% 1.0 0.0 4.52 176 154 B 17 LEU H B 17 LEU HDx% 1.0 0.0 4.52 177 155 B 11 LEU HDy% B 11 LEU HBx 1.0 0.0 3.35 178 156 B 11 LEU HDx% B 11 LEU HBx 1.0 0.0 3.43 179 157 B 6 LEU H B 6 LEU HDy% 1.0 0.0 5.06 180 158 B 6 LEU H B 6 LEU HDx% 1.0 0.0 5.06 181 159 B 19 CYS H B 18 VAL HGx% 1.0 0.0 3.61 182 160 B 19 CYS H B 18 VAL HGy% 1.0 0.0 3.87 183 161 B 19 CYS H B 17 LEU HBy 1.0 0.0 6.05 184 162 A 10 ILE HG2% B 5 HIS H 1.0 0.0 4.88 185 163 A 13 LEU H A 13 LEU HDx% 1.0 0.0 4.10 186 164 B 5 HIS HE1 A 10 ILE HD1% 1.0 0.0 3.59 187 165 A 10 ILE HG2% B 5 HIS HE1 1.0 0.0 5.13 188 166 B 5 HIS HE1 A 8 THR HG2% 1.0 0.0 5.82 189 167 B 17 LEU HBy B 18 VAL H 1.0 0.0 4.04 190 168 B 17 LEU HG B 18 VAL H 1.0 0.0 4.66 191 169 B 17 LEU HBx B 18 VAL H 1.0 0.0 3.86 192 170 B 14 ALA HB% B 18 VAL H 1.0 0.0 5.07 193 171 B 18 VAL HGy% B 18 VAL H 1.0 0.0 3.08 194 172 B 18 VAL H B 18 VAL HGx% 1.0 0.0 3.95 195 173 A 10 ILE HG2% B 3 ASN H 1.0 0.0 4.78 196 174 B 3 ASN H B 2 VAL HB 1.0 0.0 4.48 197 175 B 4 GLN H A 10 ILE HD1% 1.0 0.0 4.44 198 176 B 7 CYS H B 6 LEU HBy 1.0 0.0 4.62 199 177 B 7 CYS H B 6 LEU HG 1.0 0.0 5.32 200 178 A 6 CYS H B 11 LEU HDy% 1.0 0.0 5.49 201 179 A 7 CYS H B 11 LEU HDy% 1.0 0.0 5.46 202 180 A 7 CYS H A 8 THR HG2% 1.0 0.0 4.45 203 181 B 29 LYS H B 30 THR HG2% 1.0 0.0 4.49 204 182 B 29 LYS H B 28 PRO HBx 1.0 0.0 4.17 205 183 B 16 TYR H B 17 LEU HBx 1.0 0.0 5.42 206 184 B 14 ALA HB% B 16 TYR H 1.0 0.0 4.53 207 185 B 16 TYR H B 15 LEU HBx 1.0 0.0 3.91 208 185 B 16 TYR H B 15 LEU HBy 1.0 0.0 3.91 209 186 A 3 VAL H A 2 ILE HB 1.0 0.0 5.14 210 187 B 16 TYR H B 15 LEU HDx% 1.0 0.0 5.08 211 188 B 16 TYR H B 15 LEU HDy% 1.0 0.0 5.08 212 189 B 2 VAL H B 2 VAL HGx% 1.0 0.0 3.25 213 189 B 2 VAL H B 2 VAL HGy% 1.0 0.0 3.25 214 190 A 3 VAL H A 3 VAL HGx% 1.0 0.0 4.15 215 191 A 4 GLU H A 3 VAL HGx% 1.0 0.0 4.38 216 192 A 3 VAL H A 3 VAL HGy% 1.0 0.0 4.15 217 193 A 4 GLU H A 3 VAL HGy% 1.0 0.0 4.38 218 194 B 15 LEU H B 11 LEU HDx% 1.0 0.0 4.79 219 195 B 15 LEU H B 15 LEU HDy% 1.0 0.0 4.29 220 196 A 17 GLU H B 18 VAL HGx% 1.0 0.0 3.87 221 197 B 15 LEU H B 12 VAL HGx% 1.0 0.0 4.45 222 197 B 15 LEU H B 12 VAL HGy% 1.0 0.0 4.45 223 198 B 15 LEU H B 15 LEU HBx 1.0 0.0 3.53 224 198 B 15 LEU H B 15 LEU HBy 1.0 0.0 3.53 225 199 A 3 VAL H A 3 VAL HB 1.0 0.0 2.97 226 200 B 2 VAL H B 2 VAL HB 1.0 0.0 3.49 227 201 B 14 ALA HB% B 13 GLU H 1.0 0.0 4.33 228 202 A 10 ILE H A 10 ILE HD1% 1.0 0.0 4.52 229 203 A 10 ILE H A 10 ILE HG1x 1.0 0.0 4.87 230 204 A 10 ILE H A 10 ILE HG1y 1.0 0.0 4.87 231 205 B 17 LEU H B 18 VAL HGy% 1.0 0.0 4.96 232 206 A 10 ILE H A 10 ILE HB 1.0 0.0 3.75 233 207 B 14 ALA H B 6 LEU HDy% 1.0 0.0 5.32 234 208 B 14 ALA H B 11 LEU HDx% 1.0 0.0 5.60 235 209 B 14 ALA H B 12 VAL HGx% 1.0 0.0 4.49 236 209 B 14 ALA H B 12 VAL HGy% 1.0 0.0 4.49 237 210 B 14 ALA H B 18 VAL HGy% 1.0 0.0 5.82 238 211 B 20 GLY H B 18 VAL HGy% 1.0 0.0 6.13 239 212 B 14 ALA H B 15 LEU HBx 1.0 0.0 4.98 240 212 B 14 ALA H B 15 LEU HBy 1.0 0.0 4.98 241 213 B 20 GLY H B 17 LEU HBy 1.0 0.0 5.35 242 214 B 19 CYS H B 18 VAL HB 1.0 0.0 3.41 243 215 A 12 SER H A 15 GLN HBx 1.0 0.0 4.31 244 216 B 5 HIS H B 4 GLN HBy 1.0 0.0 4.47 245 217 B 5 HIS H B 4 GLN HGy 1.0 0.0 5.02 246 218 B 5 HIS H B 4 GLN HGx 1.0 0.0 5.02 247 219 A 12 SER H A 15 GLN HGx 1.0 0.0 4.47 248 220 A 12 SER H A 15 GLN HGy 1.0 0.0 4.47 249 221 B 5 HIS H B 3 ASN HBx 1.0 0.0 5.36 250 221 B 5 HIS H B 3 ASN HBy 1.0 0.0 5.36 251 222 B 18 VAL H B 16 TYR HBx 1.0 0.0 4.94 252 222 B 16 TYR HBy B 18 VAL H 1.0 0.0 4.94 253 223 A 6 CYS H A 4 GLU HGx 1.0 0.0 6.04 254 223 A 6 CYS H A 4 GLU HGy 1.0 0.0 6.04 255 224 B 29 LYS H B 28 PRO HBy 1.0 0.0 4.17 256 225 A 16 LEU H A 15 GLN HBy 1.0 0.0 4.33 257 226 A 16 LEU H A 15 GLN HGx 1.0 0.0 4.89 258 227 A 16 LEU H A 15 GLN HGy 1.0 0.0 4.89 259 228 B 14 ALA H B 13 GLU HBy 1.0 0.0 3.87 260 229 B 14 ALA H B 13 GLU HBx 1.0 0.0 3.90 261 230 B 22 ARG H B 21 GLU HBy 1.0 0.0 4.45 262 231 B 22 ARG H B 21 GLU HBx 1.0 0.0 4.45 263 232 B 14 ALA H B 13 GLU HGx 1.0 0.0 4.58 264 232 B 14 ALA H B 13 GLU HGy 1.0 0.0 4.58 265 233 A 16 LEU H A 14 TYR HBy 1.0 0.0 6.32 266 234 A 19 TYR HBx A 17 GLU H 1.0 0.0 6.50 267 235 A 16 LEU H A 14 TYR HBx 1.0 0.0 5.02 268 236 B 26 TYR H B 25 PHE HBx 1.0 0.0 4.29 269 237 B 26 TYR H B 25 PHE HBy 1.0 0.0 4.29 270 238 B 15 LEU H B 16 TYR HBx 1.0 0.0 4.72 271 238 B 15 LEU H B 16 TYR HBy 1.0 0.0 4.72 272 239 B 16 TYR H B 12 VAL HA 1.0 0.0 5.35 273 240 B 7 CYS H B 10 HIS HBx 1.0 0.0 4.21 274 241 B 3 ASN H B 1 PHE HBx 1.0 0.0 5.81 275 241 B 3 ASN H B 1 PHE HBy 1.0 0.0 5.81 276 242 B 15 LEU H B 12 VAL HA 1.0 0.0 4.07 277 243 B 20 GLY H B 19 CYS HBy 1.0 0.0 4.48 278 244 B 14 ALA H B 12 VAL HA 1.0 0.0 4.59 279 245 B 27 THR H B 28 PRO HDx 1.0 0.0 5.03 280 246 B 22 ARG H B 21 GLU HGx 1.0 0.0 4.89 281 246 B 22 ARG H B 21 GLU HGy 1.0 0.0 4.89 282 247 B 19 CYS H B 20 GLY HAx 1.0 0.0 4.50 283 247 B 19 CYS H B 20 GLY HAy 1.0 0.0 4.50 284 248 B 19 CYS H B 17 LEU HA 1.0 0.0 4.86 285 249 B 19 CYS H B 16 TYR HA 1.0 0.0 4.34 286 250 B 10 HIS HA B 10 HIS HE1 1.0 0.0 5.26 287 251 B 5 HIS HE1 A 9 SER HBx 1.0 0.0 5.10 288 252 A 6 CYS H A 3 VAL HA 1.0 0.0 4.84 289 253 A 4 GLU HA A 6 CYS H 1.0 0.0 4.48 290 254 B 24 PHE HA B 25 PHE H 1.0 0.0 3.09 291 255 B 29 LYS H B 30 THR HA 1.0 0.0 4.98 292 256 A 8 THR H A 8 THR HB 1.0 0.0 3.75 293 257 A 7 CYS H A 8 THR HB 1.0 0.0 5.04 294 258 A 3 VAL HA A 5 GLN H 1.0 0.0 5.11 295 259 A 7 CYS H A 3 VAL HA 1.0 0.0 5.64 296 260 A 3 VAL H A 1 GLY HAx 1.0 0.0 3.85 297 260 A 1 GLY HAy A 3 VAL H 1.0 0.0 3.85 298 261 B 16 TYR H B 13 GLU HA 1.0 0.0 4.03 299 262 B 16 TYR H B 14 ALA HA 1.0 0.0 4.40 300 263 B 22 ARG H B 23 GLY HAx 1.0 0.0 5.34 301 264 B 10 HIS H B 9 SER HBx 1.0 0.0 3.89 302 264 B 9 SER HBy B 10 HIS H 1.0 0.0 3.89 303 265 B 22 ARG H B 20 GLY HAx 1.0 0.0 3.96 304 265 B 20 GLY HAy B 22 ARG H 1.0 0.0 3.96 305 266 B 15 LEU H B 11 LEU HA 1.0 0.0 5.23 306 267 B 10 HIS HA B 13 GLU H 1.0 0.0 4.06 307 268 B 22 ARG H B 19 CYS HA 1.0 0.0 6.07 308 269 B 13 GLU H B 9 SER HBx 1.0 0.0 5.33 309 269 B 9 SER HBy B 13 GLU H 1.0 0.0 5.33 310 270 B 27 THR H B 28 PRO HDy 1.0 0.0 5.14 311 271 B 14 ALA H B 10 HIS HA 1.0 0.0 4.68 312 272 B 20 GLY H B 16 TYR HA 1.0 0.0 5.21 313 273 B 24 PHE H B 23 GLY HAy 1.0 0.0 3.35 314 274 B 24 PHE H B 23 GLY HAx 1.0 0.0 3.40 315 275 A 12 SER HA A 16 LEU H 1.0 0.0 5.67 316 276 B 8 GLY H B 9 SER H 1.0 0.0 5.04 317 277 B 6 LEU H B 5 HIS H 1.0 0.0 5.00 318 278 B 6 LEU H B 7 CYS H 1.0 0.0 5.07 319 279 B 9 SER H B 10 HIS H 1.0 0.0 3.89 320 280 A 12 SER H A 13 LEU H 1.0 0.0 4.92 321 281 B 19 CYS H B 18 VAL H 1.0 0.0 3.24 322 282 B 5 HIS H B 4 GLN H 1.0 0.0 4.17 323 283 B 19 CYS H B 16 TYR H 1.0 0.0 5.07 324 284 A 12 SER H A 16 LEU H 1.0 0.0 5.58 325 285 B 19 CYS H B 17 LEU H 1.0 0.0 4.90 326 286 B 19 CYS H B 20 GLY H 1.0 0.0 3.24 327 287 A 13 LEU H A 16 LEU H 1.0 0.0 4.90 328 288 A 2 ILE H A 3 VAL H 1.0 0.0 3.53 329 289 B 3 ASN H B 2 VAL H 1.0 0.0 4.62 330 290 A 10 ILE H B 5 HIS HE1 1.0 0.0 4.45 331 291 B 17 LEU H B 18 VAL H 1.0 0.0 3.77 332 292 B 20 GLY H B 18 VAL H 1.0 0.0 4.52 333 293 B 21 GLU H B 22 ARG H 1.0 0.0 3.82 334 294 B 20 GLY H B 21 GLU H 1.0 0.0 4.84 335 295 B 7 CYS H B 10 HIS H 1.0 0.0 4.65 336 296 A 12 SER H A 15 GLN H 1.0 0.0 4.46 337 297 A 12 SER H A 14 TYR H 1.0 0.0 5.73 338 298 A 13 LEU H A 15 GLN H 1.0 0.0 4.80 339 299 A 13 LEU H A 14 TYR H 1.0 0.0 3.33 340 300 B 3 ASN H B 3 ASN HD2y 1.0 0.0 4.74 341 301 B 30 THR H B 29 LYS H 1.0 0.0 4.35 342 302 B 26 TYR H B 25 PHE H 1.0 0.0 4.59 343 303 B 24 PHE H B 25 PHE H 1.0 0.0 4.39 344 304 B 15 LEU H B 16 TYR H 1.0 0.0 3.63 345 305 A 6 CYS H A 4 GLU H 1.0 0.0 4.31 346 306 A 19 TYR HE% B 15 LEU HDy% 1.0 0.0 4.77 347 307 A 2 ILE HD1% A 19 TYR HE% 1.0 0.0 4.21 348 308 B 24 PHE HD% B 15 LEU HDy% 1.0 0.0 4.51 349 309 B 24 PHE HD% B 15 LEU HDx% 1.0 0.0 4.51 350 310 B 24 PHE HE% B 15 LEU HDx% 1.0 0.0 4.60 351 311 A 19 TYR HD% B 15 LEU HDx% 1.0 0.0 4.03 352 312 B 5 HIS HD2 A 10 ILE HD1% 1.0 0.0 4.39 353 313 A 15 GLN H A 16 LEU HBy 1.0 0.0 4.71 354 314 A 15 GLN H A 16 LEU HG 1.0 0.0 5.98 355 315 A 14 TYR H A 13 LEU HDx% 1.0 0.0 4.35 356 316 A 14 TYR H A 13 LEU HDy% 1.0 0.0 4.35 357 317 A 18 ASN H B 18 VAL HGx% 1.0 0.0 5.04 358 318 B 18 VAL HGx% A 14 TYR H 1.0 0.0 5.47 359 319 A 14 TYR H A 13 LEU HBx 1.0 0.0 3.67 360 319 A 13 LEU HBy A 14 TYR H 1.0 0.0 3.67 361 320 A 13 LEU HG A 14 TYR H 1.0 0.0 4.25 362 321 A 15 GLN HBx A 14 TYR H 1.0 0.0 5.63 363 322 A 18 ASN H A 17 GLU HBx 1.0 0.0 4.01 364 323 A 18 ASN H A 16 LEU HBy 1.0 0.0 5.23 365 324 A 19 TYR HD% A 16 LEU HBy 1.0 0.0 5.75 366 325 B 17 LEU HBy B 1 PHE HE% 1.0 0.0 6.50 367 326 A 19 TYR HD% A 16 LEU HG 1.0 0.0 5.43 368 327 B 1 PHE HE% A 16 LEU HG 1.0 0.0 6.07 369 328 A 19 TYR HD% A 16 LEU HBx 1.0 0.0 4.70 370 329 B 14 ALA HB% B 1 PHE HE% 1.0 0.0 4.79 371 330 B 15 LEU HG A 19 TYR HD% 1.0 0.0 5.28 372 331 B 1 PHE HE% A 13 LEU HBx 1.0 0.0 4.66 373 331 A 13 LEU HBy B 1 PHE HE% 1.0 0.0 4.66 374 332 B 1 PHE HE% B 18 VAL HGy% 1.0 0.0 4.40 375 333 A 19 TYR HD% B 11 LEU HDx% 1.0 0.0 5.48 376 334 B 4 GLN HE2y B 2 VAL HGx% 1.0 0.0 4.33 377 334 B 2 VAL HGy% B 4 GLN HE2y 1.0 0.0 4.33 378 335 B 1 PHE HZ A 16 LEU HDx% 1.0 0.0 5.36 379 336 B 1 PHE HZ A 16 LEU HDy% 1.0 0.0 5.36 380 337 A 19 TYR HD% B 15 LEU HDy% 1.0 0.0 4.03 381 338 A 2 ILE HD1% A 19 TYR HD% 1.0 0.0 3.85 382 339 B 18 VAL HGy% B 1 PHE HZ 1.0 0.0 5.01 383 340 B 27 THR HG2% B 25 PHE HE% 1.0 0.0 4.36 384 341 B 1 PHE HD% B 18 VAL HGy% 1.0 0.0 5.19 385 342 B 27 THR HG2% B 25 PHE HZ 1.0 0.0 5.49 386 343 B 14 ALA HB% B 1 PHE HZ 1.0 0.0 4.95 387 344 B 1 PHE HD% B 2 VAL HGx% 1.0 0.0 6.10 388 344 B 1 PHE HD% B 2 VAL HGy% 1.0 0.0 6.10 389 345 B 12 VAL H B 12 VAL HGx% 1.0 0.0 3.34 390 345 B 12 VAL HGy% B 12 VAL H 1.0 0.0 3.34 391 346 B 16 TYR HD% B 12 VAL HGx% 1.0 0.0 3.59 392 346 B 12 VAL HGy% B 16 TYR HD% 1.0 0.0 3.59 393 347 B 27 THR HG2% B 25 PHE HD% 1.0 0.0 4.37 394 348 B 12 VAL H B 11 LEU HBx 1.0 0.0 4.47 395 349 B 1 PHE HD% A 13 LEU HBx 1.0 0.0 5.04 396 349 B 1 PHE HD% A 13 LEU HBy 1.0 0.0 5.04 397 350 B 12 VAL H B 11 LEU HG 1.0 0.0 4.93 398 351 B 12 VAL H B 11 LEU HDy% 1.0 0.0 4.88 399 352 B 12 VAL H B 11 LEU HDx% 1.0 0.0 5.04 400 353 A 14 TYR HD% A 13 LEU HDx% 1.0 0.0 4.84 401 354 B 11 LEU HDy% B 11 LEU H 1.0 0.0 4.39 402 355 B 11 LEU HDx% B 11 LEU H 1.0 0.0 5.12 403 356 A 14 TYR HD% A 13 LEU HDy% 1.0 0.0 4.84 404 357 B 26 TYR HD% B 12 VAL HGx% 1.0 0.0 4.29 405 357 B 12 VAL HGy% B 26 TYR HD% 1.0 0.0 4.29 406 358 B 26 TYR HD% B 11 LEU HDy% 1.0 0.0 4.41 407 359 B 4 GLN HE2x B 2 VAL HGx% 1.0 0.0 4.33 408 359 B 2 VAL HGy% B 4 GLN HE2x 1.0 0.0 4.33 409 360 B 16 TYR HE% B 12 VAL HGx% 1.0 0.0 3.36 410 360 B 12 VAL HGy% B 16 TYR HE% 1.0 0.0 3.36 411 361 B 24 PHE HD% B 12 VAL HGx% 1.0 0.0 4.49 412 361 B 12 VAL HGy% B 24 PHE HD% 1.0 0.0 4.49 413 362 B 26 TYR HE% B 12 VAL HGx% 1.0 0.0 4.61 414 362 B 12 VAL HGy% B 26 TYR HE% 1.0 0.0 4.61 415 363 B 24 PHE HD% B 15 LEU HBx 1.0 0.0 4.44 416 363 B 24 PHE HD% B 15 LEU HBy 1.0 0.0 4.44 417 364 A 14 TYR HD% A 13 LEU HG 1.0 0.0 4.85 418 365 B 15 LEU HG B 24 PHE HE% 1.0 0.0 5.27 419 366 B 14 ALA HB% B 1 PHE HD% 1.0 0.0 6.14 420 367 B 14 ALA HB% B 16 TYR HD% 1.0 0.0 5.97 421 368 B 15 LEU HG B 24 PHE HD% 1.0 0.0 5.45 422 369 A 16 LEU HBy B 1 PHE HZ 1.0 0.0 5.74 423 370 B 26 TYR HD% B 28 PRO HBx 1.0 0.0 5.48 424 371 B 26 TYR HE% B 28 PRO HBx 1.0 0.0 4.78 425 372 A 19 TYR HE% A 3 VAL HB 1.0 0.0 6.03 426 373 A 19 TYR HE% A 16 LEU HBy 1.0 0.0 6.50 427 374 A 19 TYR HE% A 15 GLN HBx 1.0 0.0 5.41 428 375 B 12 VAL HB B 16 TYR HE% 1.0 0.0 5.85 429 376 B 24 PHE HE% B 12 VAL HB 1.0 0.0 4.94 430 377 B 12 VAL H B 11 LEU HBy 1.0 0.0 4.47 431 378 B 22 ARG HE B 22 ARG HGy 1.0 0.0 3.89 432 379 B 22 ARG HE B 22 ARG HGx 1.0 0.0 3.89 433 380 B 22 ARG HE B 22 ARG HBy 1.0 0.0 4.01 434 381 B 22 ARG HE B 22 ARG HBx 1.0 0.0 4.01 435 382 A 14 TYR HD% A 15 GLN HBx 1.0 0.0 6.06 436 383 A 18 ASN H A 17 GLU HBy 1.0 0.0 4.01 437 384 B 11 LEU H B 10 HIS HBy 1.0 0.0 4.67 438 385 B 11 LEU H B 10 HIS HBx 1.0 0.0 4.67 439 386 B 24 PHE HE% B 12 VAL HA 1.0 0.0 4.39 440 387 B 24 PHE HE% B 26 TYR HBx 1.0 0.0 3.41 441 387 B 26 TYR HBy B 24 PHE HE% 1.0 0.0 3.41 442 388 B 25 PHE HD% B 26 TYR HBx 1.0 0.0 5.52 443 388 B 26 TYR HBy B 25 PHE HD% 1.0 0.0 5.52 444 389 A 19 TYR HD% B 26 TYR HBx 1.0 0.0 5.83 445 389 B 26 TYR HBy A 19 TYR HD% 1.0 0.0 5.83 446 390 A 15 GLN H A 14 TYR HBy 1.0 0.0 3.86 447 391 A 15 GLN H A 14 TYR HBx 1.0 0.0 3.94 448 392 B 3 ASN HD2y B 3 ASN HBx 1.0 0.0 3.42 449 392 B 3 ASN HBy B 3 ASN HD2y 1.0 0.0 3.42 450 393 A 14 TYR HBx A 14 TYR H 1.0 0.0 3.23 451 394 A 20 CYS H A 20 CYS HBy 1.0 0.0 3.77 452 395 A 15 GLN H A 15 GLN HGx 1.0 0.0 3.76 453 396 A 15 GLN H A 15 GLN HGy 1.0 0.0 3.76 454 397 A 15 GLN HE2y A 15 GLN HBy 1.0 0.0 4.65 455 398 A 15 GLN HBy A 15 GLN HE2x 1.0 0.0 4.65 456 399 A 19 TYR HE% A 15 GLN HBy 1.0 0.0 4.73 457 400 B 3 ASN HD2x B 3 ASN HBx 1.0 0.0 3.42 458 400 B 3 ASN HBy B 3 ASN HD2x 1.0 0.0 3.42 459 401 B 16 TYR HE% B 13 GLU HGx 1.0 0.0 4.79 460 401 B 13 GLU HGy B 16 TYR HE% 1.0 0.0 4.79 461 402 B 16 TYR HD% B 13 GLU HGx 1.0 0.0 4.74 462 402 B 13 GLU HGy B 16 TYR HD% 1.0 0.0 4.74 463 403 A 19 TYR HBy B 24 PHE HD% 1.0 0.0 5.56 464 404 B 12 VAL HA B 24 PHE HD% 1.0 0.0 6.13 465 405 B 1 PHE HE% B 3 ASN HBx 1.0 0.0 5.58 466 405 B 3 ASN HBy B 1 PHE HE% 1.0 0.0 5.58 467 406 B 27 THR H B 26 TYR HBx 1.0 0.0 3.84 468 406 B 27 THR H B 26 TYR HBy 1.0 0.0 3.84 469 407 A 12 SER HA A 15 GLN H 1.0 0.0 5.16 470 408 A 13 LEU HA A 15 GLN H 1.0 0.0 4.81 471 409 B 10 HIS HD2 B 9 SER HBx 1.0 0.0 4.33 472 409 B 9 SER HBy B 10 HIS HD2 1.0 0.0 4.33 473 410 A 18 ASN H A 15 GLN HA 1.0 0.0 3.97 474 411 B 4 GLN HA B 5 HIS HD2 1.0 0.0 5.28 475 412 B 5 HIS HD2 B 5 HIS HA 1.0 0.0 4.89 476 413 A 19 TYR HA A 19 TYR HD% 1.0 0.0 3.26 477 414 B 1 PHE HA B 1 PHE HE% 1.0 0.0 4.64 478 415 A 13 LEU HA B 1 PHE HE% 1.0 0.0 4.93 479 416 A 13 LEU HA B 1 PHE HZ 1.0 0.0 4.74 480 417 B 26 TYR HA A 19 TYR HD% 1.0 0.0 4.72 481 418 A 12 SER HA B 1 PHE HE% 1.0 0.0 4.45 482 419 A 12 SER HA A 14 TYR H 1.0 0.0 4.45 483 420 B 3 ASN HA B 1 PHE HD% 1.0 0.0 4.37 484 421 B 25 PHE HA B 25 PHE HD% 1.0 0.0 3.82 485 422 A 12 SER HA B 1 PHE HD% 1.0 0.0 5.23 486 423 B 2 VAL HA B 1 PHE HD% 1.0 0.0 4.88 487 424 B 12 VAL H B 9 SER HA 1.0 0.0 4.29 488 425 A 15 GLN HA A 18 ASN HD2y 1.0 0.0 4.25 489 426 B 19 CYS HA B 22 ARG HE 1.0 0.0 4.28 490 427 B 24 PHE HD% B 24 PHE HA 1.0 0.0 3.73 491 428 B 24 PHE HE% B 24 PHE HA 1.0 0.0 5.88 492 429 B 25 PHE HD% B 24 PHE HA 1.0 0.0 4.81 493 430 B 26 TYR HA B 26 TYR HD% 1.0 0.0 3.37 494 431 B 28 PRO HA B 26 TYR HD% 1.0 0.0 4.81 495 432 A 14 TYR HD% A 12 SER HBy 1.0 0.0 4.61 496 433 B 24 PHE HE% B 16 TYR HA 1.0 0.0 3.33 497 434 B 11 LEU H B 9 SER HA 1.0 0.0 4.76 498 435 B 11 LEU H B 9 SER HBx 1.0 0.0 5.79 499 435 B 9 SER HBy B 11 LEU H 1.0 0.0 5.79 500 436 B 24 PHE HE% B 15 LEU HA 1.0 0.0 6.24 501 437 B 24 PHE HE% B 23 GLY HAx 1.0 0.0 4.64 502 438 B 24 PHE HD% B 23 GLY HAx 1.0 0.0 4.06 503 439 A 15 GLN HA A 15 GLN HE2x 1.0 0.0 5.01 504 440 B 24 PHE HD% B 23 GLY HAy 1.0 0.0 4.60 505 441 B 16 TYR HA B 24 PHE HD% 1.0 0.0 3.87 506 442 B 25 PHE HA B 24 PHE HD% 1.0 0.0 4.46 507 443 B 26 TYR HA B 24 PHE HD% 1.0 0.0 4.55 508 444 B 26 TYR HA B 26 TYR HE% 1.0 0.0 4.57 509 445 B 26 TYR HE% B 27 THR HA 1.0 0.0 5.61 510 446 B 28 PRO HA B 26 TYR HE% 1.0 0.0 4.17 511 447 B 16 TYR HA B 16 TYR HE% 1.0 0.0 4.66 512 448 A 14 TYR HA A 14 TYR HE% 1.0 0.0 4.91 513 449 A 18 ASN HA A 18 ASN HD2x 1.0 0.0 4.86 514 450 A 15 GLN HA A 18 ASN HD2x 1.0 0.0 4.25 515 451 B 5 HIS HD2 A 9 SER HA 1.0 0.0 5.24 516 452 A 18 ASN HD2y A 18 ASN HA 1.0 0.0 4.86 517 453 B 22 ARG HE B 20 GLY HAx 1.0 0.0 5.00 518 453 B 20 GLY HAy B 22 ARG HE 1.0 0.0 5.00 519 454 B 15 LEU HA B 16 TYR HD% 1.0 0.0 6.17 520 455 A 18 ASN H A 18 ASN HD2x 1.0 0.0 4.74 521 456 A 14 TYR HD% A 14 TYR H 1.0 0.0 3.72 522 457 A 18 ASN H A 18 ASN HD2y 1.0 0.0 4.74 523 458 A 18 ASN H A 19 TYR HD% 1.0 0.0 4.88 524 459 A 20 CYS H A 19 TYR HD% 1.0 0.0 5.29 525 460 B 14 ALA H B 11 LEU H 1.0 0.0 5.34 526 461 B 14 ALA H B 16 TYR HD% 1.0 0.0 5.47 527 462 B 20 GLY H B 22 ARG HE 1.0 0.0 5.94 528 463 B 17 LEU H B 16 TYR HD% 1.0 0.0 4.71 529 464 B 24 PHE HE% B 24 PHE H 1.0 0.0 4.70 530 465 B 27 THR H B 25 PHE HD% 1.0 0.0 4.57 531 466 A 19 TYR H A 18 ASN H 1.0 0.0 3.12 532 467 A 19 TYR H A 20 CYS H 1.0 0.0 3.35 533 468 A 19 TYR H A 19 TYR HD% 1.0 0.0 3.20 534 469 B 13 GLU H B 12 VAL H 1.0 0.0 3.70 535 470 B 13 GLU H B 11 LEU H 1.0 0.0 4.65 536 471 B 10 HIS H B 11 LEU H 1.0 0.0 3.46 537 472 B 10 HIS H B 12 VAL H 1.0 0.0 4.81 538 473 B 22 ARG H B 22 ARG HE 1.0 0.0 4.45 539 474 B 10 HIS H B 10 HIS HD2 1.0 0.0 4.17 540 475 B 14 ALA H B 13 GLU H 1.0 0.0 3.48 541 476 B 22 ARG H B 23 GLY H 1.0 0.0 3.32 542 477 B 14 ALA H B 15 LEU H 1.0 0.0 3.41 543 478 A 16 LEU H A 14 TYR H 1.0 0.0 4.28 544 479 A 18 ASN H A 17 GLU H 1.0 0.0 3.27 545 480 A 16 LEU H A 19 TYR HD% 1.0 0.0 5.53 546 481 A 19 TYR HD% A 17 GLU H 1.0 0.0 5.95 547 482 B 2 VAL H B 1 PHE HD% 1.0 0.0 4.30 548 483 B 16 TYR H B 16 TYR HD% 1.0 0.0 3.89 549 484 B 16 TYR H B 24 PHE HE% 1.0 0.0 4.32 550 485 B 24 PHE HD% B 25 PHE H 1.0 0.0 3.98 551 486 B 25 PHE HD% B 25 PHE H 1.0 0.0 3.91 552 487 B 24 PHE HE% B 25 PHE H 1.0 0.0 5.03 553 488 B 29 LYS H B 29 LYS HZ% 1.0 0.0 4.59 554 489 A 8 THR H A 9 SER H 1.0 0.0 3.85 555 490 B 14 ALA H B 16 TYR H 1.0 0.0 4.38 556 491 B 16 TYR H B 17 LEU H 1.0 0.0 3.69 557 492 A 19 TYR H A 17 GLU H 1.0 0.0 4.59 558 493 B 7 CYS H B 10 HIS HD2 1.0 0.0 5.40 559 494 B 3 ASN H B 1 PHE HD% 1.0 0.0 4.72 560 495 B 3 ASN H B 3 ASN HD2x 1.0 0.0 4.74 561 496 A 13 LEU H B 1 PHE HD% 1.0 0.0 5.44 562 497 A 13 LEU H A 14 TYR HD% 1.0 0.0 4.86 563 498 B 5 HIS H B 5 HIS HD2 1.0 0.0 3.52 564 499 A 13 LEU HA A 16 LEU HBy 1.0 0.0 3.75 565 500 B 11 LEU HA B 6 LEU HBy 1.0 0.0 4.14 566 501 B 18 VAL HGy% B 14 ALA HA 1.0 0.0 4.18 567 502 B 27 THR HG2% B 27 THR HA 1.0 0.0 4.02 568 503 B 22 ARG HDy B 22 ARG HBx 1.0 0.0 3.66 569 503 B 22 ARG HBx B 22 ARG HDx 1.0 0.0 3.66 570 504 A 13 LEU HA B 18 VAL HGy% 1.0 0.0 3.12 571 505 B 18 VAL HGy% B 18 VAL HA 1.0 0.0 3.30 572 506 A 13 LEU HA A 16 LEU HBx 1.0 0.0 4.14 573 507 B 14 ALA HB% B 15 LEU HA 1.0 0.0 4.29 574 508 B 27 THR HG2% B 28 PRO HDy 1.0 0.0 4.76 575 509 B 27 THR HG2% B 28 PRO HDx 1.0 0.0 4.62 576 510 B 2 VAL HGy% B 3 ASN HBx 1.0 0.0 4.51 577 510 B 2 VAL HGx% B 3 ASN HBx 1.0 0.0 4.51 578 510 B 3 ASN HBy B 2 VAL HGx% 1.0 0.0 4.51 579 510 B 3 ASN HBy B 2 VAL HGy% 1.0 0.0 4.51 580 511 B 17 LEU HBy B 16 TYR HBx 1.0 0.0 5.42 581 511 B 16 TYR HBy B 17 LEU HBy 1.0 0.0 5.42 582 512 B 17 LEU HG B 16 TYR HBx 1.0 0.0 4.48 583 512 B 16 TYR HBy B 17 LEU HG 1.0 0.0 4.48 584 513 A 17 GLU HA A 17 GLU HGx 1.0 0.0 3.98 585 514 A 17 GLU HA A 17 GLU HGy 1.0 0.0 3.98 586 515 B 6 LEU HA B 10 HIS HBy 1.0 0.0 4.68 587 516 B 6 LEU HA B 10 HIS HBx 1.0 0.0 4.68 588 517 A 4 GLU HA A 8 THR HB 1.0 0.0 5.57 589 518 B 21 GLU HA B 20 GLY HAx 1.0 0.0 4.29 590 518 B 20 GLY HAy B 21 GLU HA 1.0 0.0 4.29 591 519 B 9 SER HA B 9 SER HBx 1.0 0.0 2.78 592 519 B 9 SER HBy B 9 SER HA 1.0 0.0 2.78 593 520 B 27 THR HB B 28 PRO HDy 1.0 0.0 4.41 594 521 B 27 THR HB B 28 PRO HDx 1.0 0.0 5.02 595 522 B 14 ALA HB% A 16 LEU HDx% 1.0 0.0 3.67 596 523 B 14 ALA HB% A 16 LEU HDy% 1.0 0.0 3.67 597 524 B 14 ALA HB% B 6 LEU HDy% 1.0 0.0 3.82 598 525 B 14 ALA HB% B 11 LEU HDx% 1.0 0.0 4.04 599 526 A 16 LEU HG B 18 VAL HGy% 1.0 0.0 4.10 600 527 B 17 LEU HBx B 18 VAL HGy% 1.0 0.0 4.25 601 528 A 16 LEU HBx B 18 VAL HGy% 1.0 0.0 4.02 602 529 B 18 VAL HGy% A 13 LEU HBx 1.0 0.0 4.61 603 529 A 13 LEU HBy B 18 VAL HGy% 1.0 0.0 4.61 604 530 B 11 LEU HG B 12 VAL HGx% 1.0 0.0 4.57 605 530 B 12 VAL HGy% B 11 LEU HG 1.0 0.0 4.57 606 531 A 10 ILE HD1% A 10 ILE HB 1.0 0.0 3.24 607 532 B 11 LEU HDx% B 11 LEU HBy 1.0 0.0 3.43 608 533 B 15 LEU HG B 12 VAL HGx% 1.0 0.0 5.22 609 533 B 15 LEU HG B 12 VAL HGy% 1.0 0.0 5.22 610 534 B 11 LEU HDy% B 11 LEU HBy 1.0 0.0 3.35 611 535 B 18 VAL HGx% A 17 GLU HGx 1.0 0.0 3.75 612 536 B 12 VAL HGx% B 13 GLU HGx 1.0 0.0 4.01 613 536 B 12 VAL HGy% B 13 GLU HGx 1.0 0.0 4.01 614 536 B 13 GLU HGy B 12 VAL HGx% 1.0 0.0 4.01 615 536 B 13 GLU HGy B 12 VAL HGy% 1.0 0.0 4.01 616 537 B 18 VAL HGx% A 17 GLU HGy 1.0 0.0 3.75 617 538 B 22 ARG HDy B 22 ARG HBy 1.0 0.0 3.66 618 538 B 22 ARG HBy B 22 ARG HDx 1.0 0.0 3.66 619 539 A 2 ILE HD1% A 2 ILE HG2% 1.0 0.0 3.37 620 540 B 18 VAL HGx% A 13 LEU HBx 1.0 0.0 4.10 621 540 A 13 LEU HBy B 18 VAL HGx% 1.0 0.0 4.10 622 541 A 13 LEU HBy A 13 LEU HDy% 1.0 0.0 3.11 623 541 A 13 LEU HDy% A 13 LEU HBx 1.0 0.0 3.11 624 542 A 13 LEU HBy A 13 LEU HDx% 1.0 0.0 3.11 625 542 A 13 LEU HBx A 13 LEU HDx% 1.0 0.0 3.11 626 543 A 8 THR HG2% A 4 GLU HGx 1.0 0.0 4.48 627 543 A 4 GLU HGy A 8 THR HG2% 1.0 0.0 4.48 628 544 A 8 THR HG2% A 4 GLU HBx 1.0 0.0 4.91 629 544 A 8 THR HG2% A 4 GLU HBy 1.0 0.0 4.91 630 545 B 14 ALA HB% B 13 GLU HBy 1.0 0.0 4.75 631 546 B 14 ALA HB% B 13 GLU HBx 1.0 0.0 5.23 632 547 B 14 ALA HB% B 18 VAL HB 1.0 0.0 5.89 633 548 B 15 LEU HG B 18 VAL HB 1.0 0.0 5.91 634 549 B 14 ALA HB% A 16 LEU HBy 1.0 0.0 5.42 635 550 B 15 LEU HG A 16 LEU HBy 1.0 0.0 6.04 636 551 A 19 TYR HBx B 15 LEU HDx% 1.0 0.0 4.49 637 552 A 19 TYR HBx B 15 LEU HDy% 1.0 0.0 4.49 638 553 B 11 LEU HDx% A 6 CYS HBy 1.0 0.0 4.61 639 554 B 11 LEU HDx% A 6 CYS HBx 1.0 0.0 4.61 640 555 B 13 GLU HBy B 12 VAL HGx% 1.0 0.0 4.85 641 555 B 12 VAL HGy% B 13 GLU HBy 1.0 0.0 4.85 642 556 A 3 VAL HA A 3 VAL HGy% 1.0 0.0 3.44 643 557 A 2 ILE HG2% A 3 VAL HA 1.0 0.0 4.43 644 558 B 11 LEU HDy% A 3 VAL HA 1.0 0.0 4.62 645 559 A 3 VAL HA A 3 VAL HGx% 1.0 0.0 3.44 646 560 B 11 LEU HDx% B 11 LEU HA 1.0 0.0 2.94 647 561 B 11 LEU HA B 6 LEU HBx 1.0 0.0 4.14 648 562 A 2 ILE HG2% A 1 GLY HAx 1.0 0.0 4.06 649 562 A 1 GLY HAy A 2 ILE HG2% 1.0 0.0 4.06 650 563 B 11 LEU HDy% B 11 LEU HA 1.0 0.0 4.44 651 564 B 18 VAL HGx% B 18 VAL HA 1.0 0.0 3.00 652 565 A 13 LEU HA A 13 LEU HDx% 1.0 0.0 4.18 653 566 A 13 LEU HA A 13 LEU HDy% 1.0 0.0 4.18 654 567 A 10 ILE HD1% A 10 ILE HA 1.0 0.0 3.72 655 568 B 4 GLN HA A 10 ILE HD1% 1.0 0.0 3.73 656 569 A 10 ILE HG2% B 4 GLN HA 1.0 0.0 4.58 657 570 B 18 VAL HGx% B 19 CYS HA 1.0 0.0 4.01 658 571 A 10 ILE HG2% B 3 ASN HA 1.0 0.0 3.86 659 572 A 8 THR HG2% A 8 THR HA 1.0 0.0 3.22 660 573 B 11 LEU HA B 11 LEU HG 1.0 0.0 3.94 661 574 A 4 GLU HA A 8 THR HG2% 1.0 0.0 4.64 662 575 B 17 LEU HG B 17 LEU HA 1.0 0.0 3.73 663 576 A 16 LEU HA A 16 LEU HG 1.0 0.0 4.04 664 577 A 16 LEU HA B 18 VAL HGy% 1.0 0.0 5.19 665 578 B 18 VAL HGy% A 17 GLU HA 1.0 0.0 5.70 666 579 B 18 VAL HGx% A 17 GLU HA 1.0 0.0 3.36 667 580 A 16 LEU HA A 16 LEU HDy% 1.0 0.0 3.92 668 581 B 14 ALA HB% B 11 LEU HA 1.0 0.0 3.51 669 582 B 6 LEU HA B 6 LEU HG 1.0 0.0 4.20 670 583 B 13 GLU HA B 13 GLU HGx 1.0 0.0 3.49 671 583 B 13 GLU HGy B 13 GLU HA 1.0 0.0 3.49 672 584 A 5 GLN HA A 5 GLN HGy 1.0 0.0 4.12 673 585 A 5 GLN HA A 5 GLN HGx 1.0 0.0 4.12 674 586 B 2 VAL HA B 3 ASN HBx 1.0 0.0 4.69 675 586 B 2 VAL HA B 3 ASN HBy 1.0 0.0 4.69 676 587 B 3 ASN HA B 3 ASN HBx 1.0 0.0 2.87 677 587 B 3 ASN HA B 3 ASN HBy 1.0 0.0 2.87 678 588 A 10 ILE HD1% B 3 ASN HBx 1.0 0.0 4.10 679 588 B 3 ASN HBy A 10 ILE HD1% 1.0 0.0 4.10 680 589 A 19 TYR HBy B 15 LEU HG 1.0 0.0 4.80 681 590 B 15 LEU HG B 12 VAL HA 1.0 0.0 5.01 682 591 A 2 ILE HG2% A 2 ILE HA 1.0 0.0 4.17 683 592 A 13 LEU HA A 16 LEU HG 1.0 0.0 4.58 684 593 A 13 LEU HA A 13 LEU HG 1.0 0.0 4.02 685 594 B 9 SER HBy B 12 VAL HGx% 1.0 0.0 4.07 686 594 B 9 SER HBx B 12 VAL HGx% 1.0 0.0 4.07 687 594 B 12 VAL HGy% B 9 SER HBx 1.0 0.0 4.07 688 594 B 9 SER HBy B 12 VAL HGy% 1.0 0.0 4.07 689 595 B 13 GLU HA B 12 VAL HGx% 1.0 0.0 3.70 690 595 B 12 VAL HGy% B 13 GLU HA 1.0 0.0 3.70 691 596 B 9 SER HA B 12 VAL HGx% 1.0 0.0 3.31 692 596 B 12 VAL HGy% B 9 SER HA 1.0 0.0 3.31 693 597 B 2 VAL HA B 2 VAL HGx% 1.0 0.0 2.97 694 597 B 2 VAL HA B 2 VAL HGy% 1.0 0.0 2.97 695 598 A 16 LEU HA A 16 LEU HDx% 1.0 0.0 3.92 696 599 A 10 ILE HD1% B 5 HIS HA 1.0 0.0 4.34 697 600 A 2 ILE HD1% A 19 TYR HA 1.0 0.0 4.79 698 601 A 10 ILE HG2% B 5 HIS HA 1.0 0.0 5.42 699 602 B 1 PHE HA B 2 VAL HGx% 1.0 0.0 4.06 700 602 B 1 PHE HA B 2 VAL HGy% 1.0 0.0 4.06 701 603 B 6 LEU HA B 14 ALA HB% 1.0 0.0 6.31 702 604 B 14 ALA HB% B 10 HIS HA 1.0 0.0 6.50 703 605 A 9 SER HA A 10 ILE HD1% 1.0 0.0 4.58 704 606 B 3 ASN HA A 10 ILE HD1% 1.0 0.0 4.90 705 607 B 3 ASN HA B 2 VAL HGx% 1.0 0.0 4.48 706 607 B 3 ASN HA B 2 VAL HGy% 1.0 0.0 4.48 707 608 B 18 VAL HGy% B 19 CYS HA 1.0 0.0 5.65 708 609 A 9 SER HA A 8 THR HG2% 1.0 0.0 4.66 709 610 A 7 CYS HA B 11 LEU HDy% 1.0 0.0 5.16 710 611 A 7 CYS HA B 11 LEU HDx% 1.0 0.0 5.33 711 612 B 11 LEU HDy% B 7 CYS HA 1.0 0.0 4.14 712 613 B 27 THR HA B 28 PRO HGx 1.0 0.0 4.75 713 614 B 27 THR HA B 28 PRO HGy 1.0 0.0 4.75 714 615 B 28 PRO HDy B 27 THR HA 1.0 0.0 3.14 715 616 B 28 PRO HDx B 27 THR HA 1.0 0.0 3.21 716 617 B 3 ASN HA B 2 VAL HA 1.0 0.0 4.44 717 618 A 12 SER HA A 13 LEU HA 1.0 0.0 4.48 718 619 B 13 GLU HA B 16 TYR HBx 1.0 0.0 3.54 719 619 B 16 TYR HBy B 13 GLU HA 1.0 0.0 3.54 720 620 B 24 PHE HE% B 15 LEU HDy% 1.0 0.0 4.60 721 621 A 7 CYS HA A 8 THR HA 1.0 0.0 4.92 722 622 A 7 CYS HA B 5 HIS HA 1.0 0.0 4.94 723 623 B 13 GLU HA B 16 TYR HE% 1.0 0.0 4.38 724 624 B 26 TYR HD% B 28 PRO HDx 1.0 0.0 4.88 725 625 A 19 TYR HE% A 3 VAL HA 1.0 0.0 5.24 726 626 B 28 PRO HDy B 26 TYR HE% 1.0 0.0 5.90 727 627 B 28 PRO HDx B 26 TYR HE% 1.0 0.0 4.77 728 628 A 19 TYR HE% A 2 ILE HA 1.0 0.0 5.19 729 629 B 5 HIS HE1 A 9 SER HBy 1.0 0.0 5.10 730 630 A 19 TYR HE% B 15 LEU HDx% 1.0 0.0 4.77 731 631 B 11 LEU HDy% B 26 TYR HE% 1.0 0.0 4.13 732 632 A 2 ILE HG2% A 19 TYR HE% 1.0 0.0 3.95 733 633 B 26 TYR HD% B 28 PRO HBy 1.0 0.0 5.48 734 634 B 26 TYR HE% B 28 PRO HBy 1.0 0.0 4.78 735 635 B 1 PHE HD% B 3 ASN HBx 1.0 0.0 5.37 736 635 B 3 ASN HBy B 1 PHE HD% 1.0 0.0 5.37 737 636 B 22 ARG HE B 22 ARG HA 1.0 0.0 4.79 738 637 B 26 TYR HA B 25 PHE HD% 1.0 0.0 4.84 739 638 A 14 TYR HD% A 12 SER HBx 1.0 0.0 4.61 740 639 A 19 TYR HBx A 2 ILE HD1% 1.0 0.0 5.56 741 640 A 19 TYR HBy A 2 ILE HD1% 1.0 0.0 5.06 742 641 B 1 PHE HBx B 2 VAL HGx% 1.0 0.0 4.81 743 641 B 1 PHE HBy B 2 VAL HGx% 1.0 0.0 4.81 744 641 B 2 VAL HGy% B 1 PHE HBx 1.0 0.0 4.81 745 641 B 2 VAL HGy% B 1 PHE HBy 1.0 0.0 4.81 746 642 B 13 GLU HBx B 16 TYR HBx 1.0 0.0 4.82 747 642 B 16 TYR HBy B 13 GLU HBx 1.0 0.0 4.82 748 643 B 26 TYR H B 24 PHE HD% 1.0 0.0 4.77 749 644 A 19 TYR H A 19 TYR HE% 1.0 0.0 4.59 750 645 A 21 ASN H B 25 PHE HE% 1.0 0.0 4.80 751 646 B 25 PHE H B 25 PHE HE% 1.0 0.0 5.33 752 647 B 27 THR HG2% B 26 TYR HD% 1.0 0.0 4.90 753 648 A 2 ILE H A 2 ILE HG1y 1.0 0.0 4.58 754 648 A 2 ILE H A 2 ILE HG1x 1.0 0.0 4.58 755 649 A 2 ILE H A 3 VAL HGy% 1.0 0.0 3.98 756 649 A 2 ILE H A 3 VAL HGx% 1.0 0.0 3.98 757 650 A 2 ILE HG2% A 3 VAL HGy% 1.0 0.0 3.16 758 650 A 2 ILE HG2% A 3 VAL HGx% 1.0 0.0 3.16 759 651 A 3 VAL H A 2 ILE HG1y 1.0 0.0 5.36 760 651 A 3 VAL H A 2 ILE HG1x 1.0 0.0 5.36 761 652 A 3 VAL HA A 2 ILE HG1y 1.0 0.0 4.20 762 652 A 3 VAL HA A 2 ILE HG1x 1.0 0.0 4.20 763 653 A 19 TYR HD% A 2 ILE HG1y 1.0 0.0 4.43 764 653 A 19 TYR HD% A 2 ILE HG1x 1.0 0.0 4.43 765 654 A 19 TYR HE% A 2 ILE HG1y 1.0 0.0 4.17 766 654 A 19 TYR HE% A 2 ILE HG1x 1.0 0.0 4.17 767 655 A 3 VAL H A 3 VAL HGy% 1.0 0.0 3.03 768 655 A 3 VAL H A 3 VAL HGx% 1.0 0.0 3.03 769 656 A 3 VAL HA A 3 VAL HGy% 1.0 0.0 2.99 770 656 A 3 VAL HA A 3 VAL HGx% 1.0 0.0 2.99 771 657 A 4 GLU H A 3 VAL HGy% 1.0 0.0 3.43 772 657 A 4 GLU H A 3 VAL HGx% 1.0 0.0 3.43 773 658 A 4 GLU HA A 3 VAL HGy% 1.0 0.0 4.06 774 658 A 4 GLU HA A 3 VAL HGx% 1.0 0.0 4.06 775 659 A 7 CYS H A 3 VAL HGy% 1.0 0.0 4.68 776 659 A 7 CYS H A 3 VAL HGx% 1.0 0.0 4.68 777 660 A 7 CYS HA A 3 VAL HGy% 1.0 0.0 4.84 778 660 A 7 CYS HA A 3 VAL HGx% 1.0 0.0 4.84 779 661 A 3 VAL HGy% A 7 CYS HBy 1.0 0.0 4.00 780 661 A 3 VAL HGx% A 7 CYS HBy 1.0 0.0 4.00 781 661 A 7 CYS HBx A 3 VAL HGy% 1.0 0.0 4.00 782 661 A 3 VAL HGx% A 7 CYS HBx 1.0 0.0 4.00 783 662 A 3 VAL HGy% B 11 LEU HBx 1.0 0.0 4.97 784 662 A 3 VAL HGx% B 11 LEU HBx 1.0 0.0 4.97 785 662 B 11 LEU HBy A 3 VAL HGy% 1.0 0.0 4.97 786 662 A 3 VAL HGx% B 11 LEU HBy 1.0 0.0 4.97 787 663 B 11 LEU HG A 3 VAL HGy% 1.0 0.0 5.41 788 663 B 11 LEU HG A 3 VAL HGx% 1.0 0.0 5.41 789 664 A 5 GLN HA A 5 GLN HGy 1.0 0.0 3.60 790 664 A 5 GLN HA A 5 GLN HGx 1.0 0.0 3.60 791 665 A 6 CYS H A 5 GLN HBx 1.0 0.0 3.47 792 665 A 6 CYS H A 5 GLN HBy 1.0 0.0 3.47 793 666 A 6 CYS H A 5 GLN HGy 1.0 0.0 4.87 794 666 A 6 CYS H A 5 GLN HGx 1.0 0.0 4.87 795 667 A 6 CYS H A 6 CYS HBy 1.0 0.0 3.53 796 667 A 6 CYS H A 6 CYS HBx 1.0 0.0 3.53 797 668 B 11 LEU HDx% A 6 CYS HBy 1.0 0.0 3.78 798 668 B 11 LEU HDx% A 6 CYS HBx 1.0 0.0 3.78 799 669 B 11 LEU HDy% A 6 CYS HBy 1.0 0.0 4.26 800 669 B 11 LEU HDy% A 6 CYS HBx 1.0 0.0 4.26 801 670 A 8 THR HG2% A 7 CYS HBy 1.0 0.0 4.62 802 670 A 8 THR HG2% A 7 CYS HBx 1.0 0.0 4.62 803 671 A 8 THR HG2% A 9 SER HBy 1.0 0.0 4.33 804 671 A 8 THR HG2% A 9 SER HBx 1.0 0.0 4.33 805 672 A 10 ILE H A 9 SER HBy 1.0 0.0 3.52 806 672 A 10 ILE H A 9 SER HBx 1.0 0.0 3.52 807 673 B 5 HIS HE1 A 9 SER HBy 1.0 0.0 4.38 808 673 B 5 HIS HE1 A 9 SER HBx 1.0 0.0 4.38 809 674 A 10 ILE H A 10 ILE HG1x 1.0 0.0 4.08 810 674 A 10 ILE H A 10 ILE HG1y 1.0 0.0 4.08 811 675 A 10 ILE HG2% A 10 ILE HG1x 1.0 0.0 3.41 812 675 A 10 ILE HG2% A 10 ILE HG1y 1.0 0.0 3.41 813 676 A 10 ILE HG2% B 3 ASN HD2x 1.0 0.0 4.56 814 676 A 10 ILE HG2% B 3 ASN HD2y 1.0 0.0 4.56 815 677 B 5 HIS HD2 A 10 ILE HG1x 1.0 0.0 5.76 816 677 B 5 HIS HD2 A 10 ILE HG1y 1.0 0.0 5.76 817 678 B 5 HIS HE1 A 10 ILE HG1x 1.0 0.0 4.54 818 678 B 5 HIS HE1 A 10 ILE HG1y 1.0 0.0 4.54 819 679 A 12 SER H A 12 SER HBy 1.0 0.0 3.51 820 679 A 12 SER H A 12 SER HBx 1.0 0.0 3.51 821 680 A 12 SER H A 15 GLN HGy 1.0 0.0 3.76 822 680 A 12 SER H A 15 GLN HGx 1.0 0.0 3.76 823 681 A 12 SER H A 15 GLN HE2x 1.0 0.0 6.27 824 681 A 12 SER H A 15 GLN HE2y 1.0 0.0 6.27 825 682 A 12 SER HA A 16 LEU HDx% 1.0 0.0 4.84 826 682 A 12 SER HA A 16 LEU HDy% 1.0 0.0 4.84 827 683 A 13 LEU H A 12 SER HBy 1.0 0.0 3.35 828 683 A 13 LEU H A 12 SER HBx 1.0 0.0 3.35 829 684 A 14 TYR H A 12 SER HBy 1.0 0.0 3.57 830 684 A 14 TYR H A 12 SER HBx 1.0 0.0 3.57 831 685 A 14 TYR HD% A 12 SER HBy 1.0 0.0 3.85 832 685 A 14 TYR HD% A 12 SER HBx 1.0 0.0 3.85 833 686 A 14 TYR HE% A 12 SER HBy 1.0 0.0 4.65 834 686 A 14 TYR HE% A 12 SER HBx 1.0 0.0 4.65 835 687 A 15 GLN H A 12 SER HBy 1.0 0.0 4.58 836 687 A 15 GLN H A 12 SER HBx 1.0 0.0 4.58 837 688 B 1 PHE HE% A 12 SER HBy 1.0 0.0 5.65 838 688 B 1 PHE HE% A 12 SER HBx 1.0 0.0 5.65 839 689 A 13 LEU H A 13 LEU HDx% 1.0 0.0 3.56 840 689 A 13 LEU H A 13 LEU HDy% 1.0 0.0 3.56 841 690 A 13 LEU H A 16 LEU HDx% 1.0 0.0 4.73 842 690 A 13 LEU H A 16 LEU HDy% 1.0 0.0 4.73 843 691 A 13 LEU HA A 13 LEU HDx% 1.0 0.0 3.44 844 691 A 13 LEU HA A 13 LEU HDy% 1.0 0.0 3.44 845 692 A 13 LEU HA A 16 LEU HDx% 1.0 0.0 3.67 846 692 A 13 LEU HA A 16 LEU HDy% 1.0 0.0 3.67 847 693 A 13 LEU HBx A 16 LEU HDx% 1.0 0.0 4.71 848 693 A 13 LEU HBy A 16 LEU HDx% 1.0 0.0 4.71 849 693 A 16 LEU HDy% A 13 LEU HBx 1.0 0.0 4.71 850 693 A 13 LEU HBy A 16 LEU HDy% 1.0 0.0 4.71 851 694 A 14 TYR H A 13 LEU HDx% 1.0 0.0 3.70 852 694 A 14 TYR H A 13 LEU HDy% 1.0 0.0 3.70 853 695 A 14 TYR HA A 13 LEU HDx% 1.0 0.0 3.47 854 695 A 14 TYR HA A 13 LEU HDy% 1.0 0.0 3.47 855 696 A 14 TYR HBx A 13 LEU HDx% 1.0 0.0 4.41 856 696 A 14 TYR HBx A 13 LEU HDy% 1.0 0.0 4.41 857 697 A 14 TYR HBy A 13 LEU HDx% 1.0 0.0 4.83 858 697 A 14 TYR HBy A 13 LEU HDy% 1.0 0.0 4.83 859 698 A 14 TYR HD% A 13 LEU HDx% 1.0 0.0 4.12 860 698 A 14 TYR HD% A 13 LEU HDy% 1.0 0.0 4.12 861 699 A 14 TYR HE% A 13 LEU HDx% 1.0 0.0 4.63 862 699 A 14 TYR HE% A 13 LEU HDy% 1.0 0.0 4.63 863 700 A 15 GLN H A 13 LEU HDx% 1.0 0.0 4.84 864 700 A 15 GLN H A 13 LEU HDy% 1.0 0.0 4.84 865 701 A 17 GLU H A 13 LEU HDx% 1.0 0.0 4.77 866 701 A 17 GLU H A 13 LEU HDy% 1.0 0.0 4.77 867 702 A 13 LEU HDx% A 17 GLU HBx 1.0 0.0 4.52 868 702 A 13 LEU HDy% A 17 GLU HBx 1.0 0.0 4.52 869 702 A 17 GLU HBy A 13 LEU HDx% 1.0 0.0 4.52 870 702 A 13 LEU HDy% A 17 GLU HBy 1.0 0.0 4.52 871 703 A 13 LEU HDy% A 17 GLU HGy 1.0 0.0 3.69 872 703 A 13 LEU HDx% A 17 GLU HGy 1.0 0.0 3.69 873 703 A 17 GLU HGx A 13 LEU HDx% 1.0 0.0 3.69 874 703 A 13 LEU HDy% A 17 GLU HGx 1.0 0.0 3.69 875 704 A 13 LEU HDy% B 1 PHE HBx 1.0 0.0 4.66 876 704 A 13 LEU HDx% B 1 PHE HBx 1.0 0.0 4.66 877 704 B 1 PHE HBy A 13 LEU HDx% 1.0 0.0 4.66 878 704 B 1 PHE HBy A 13 LEU HDy% 1.0 0.0 4.66 879 705 B 1 PHE HD% A 13 LEU HDx% 1.0 0.0 4.83 880 705 B 1 PHE HD% A 13 LEU HDy% 1.0 0.0 4.83 881 706 B 1 PHE HZ A 13 LEU HDx% 1.0 0.0 6.24 882 706 B 1 PHE HZ A 13 LEU HDy% 1.0 0.0 6.24 883 707 B 18 VAL HGy% A 13 LEU HDx% 1.0 0.0 4.69 884 707 B 18 VAL HGy% A 13 LEU HDy% 1.0 0.0 4.69 885 708 A 14 TYR HD% A 15 GLN HGy 1.0 0.0 4.17 886 708 A 14 TYR HD% A 15 GLN HGx 1.0 0.0 4.17 887 709 A 15 GLN H A 15 GLN HGy 1.0 0.0 3.01 888 709 A 15 GLN H A 15 GLN HGx 1.0 0.0 3.01 889 710 A 15 GLN HA A 15 GLN HGy 1.0 0.0 3.63 890 710 A 15 GLN HA A 15 GLN HGx 1.0 0.0 3.63 891 711 A 15 GLN HA A 18 ASN HBy 1.0 0.0 4.13 892 711 A 15 GLN HA A 18 ASN HBx 1.0 0.0 4.13 893 712 A 15 GLN HA A 18 ASN HD2x 1.0 0.0 3.69 894 712 A 15 GLN HA A 18 ASN HD2y 1.0 0.0 3.69 895 713 A 15 GLN HBy A 15 GLN HE2x 1.0 0.0 3.99 896 713 A 15 GLN HE2y A 15 GLN HBy 1.0 0.0 3.99 897 714 A 15 GLN HE2x A 15 GLN HGy 1.0 0.0 3.09 898 714 A 15 GLN HE2x A 15 GLN HGx 1.0 0.0 3.09 899 714 A 15 GLN HE2y A 15 GLN HGx 1.0 0.0 3.09 900 714 A 15 GLN HE2y A 15 GLN HGy 1.0 0.0 3.09 901 715 A 16 LEU H A 15 GLN HGy 1.0 0.0 4.30 902 715 A 16 LEU H A 15 GLN HGx 1.0 0.0 4.30 903 716 A 16 LEU H A 16 LEU HDx% 1.0 0.0 3.74 904 716 A 16 LEU H A 16 LEU HDy% 1.0 0.0 3.74 905 717 A 16 LEU H B 15 LEU HDx% 1.0 0.0 5.71 906 717 A 16 LEU H B 15 LEU HDy% 1.0 0.0 5.71 907 718 A 16 LEU HA A 16 LEU HDx% 1.0 0.0 3.34 908 718 A 16 LEU HA A 16 LEU HDy% 1.0 0.0 3.34 909 719 A 16 LEU HA B 15 LEU HDx% 1.0 0.0 3.86 910 719 A 16 LEU HA B 15 LEU HDy% 1.0 0.0 3.86 911 720 A 16 LEU HBy B 15 LEU HDx% 1.0 0.0 4.44 912 720 A 16 LEU HBy B 15 LEU HDy% 1.0 0.0 4.44 913 721 A 16 LEU HBx B 15 LEU HDx% 1.0 0.0 4.08 914 721 A 16 LEU HBx B 15 LEU HDy% 1.0 0.0 4.08 915 722 A 16 LEU HG B 15 LEU HDx% 1.0 0.0 4.72 916 722 A 16 LEU HG B 15 LEU HDy% 1.0 0.0 4.72 917 723 A 18 ASN H A 16 LEU HDx% 1.0 0.0 6.39 918 723 A 18 ASN H A 16 LEU HDy% 1.0 0.0 6.39 919 724 A 19 TYR HBx A 16 LEU HDx% 1.0 0.0 5.18 920 724 A 19 TYR HBx A 16 LEU HDy% 1.0 0.0 5.18 921 725 A 19 TYR HD% A 16 LEU HDx% 1.0 0.0 3.49 922 725 A 19 TYR HD% A 16 LEU HDy% 1.0 0.0 3.49 923 726 A 19 TYR HE% A 16 LEU HDx% 1.0 0.0 3.75 924 726 A 19 TYR HE% A 16 LEU HDy% 1.0 0.0 3.75 925 727 A 20 CYS H A 16 LEU HDx% 1.0 0.0 6.40 926 727 A 20 CYS H A 16 LEU HDy% 1.0 0.0 6.40 927 728 B 1 PHE HD% A 16 LEU HDx% 1.0 0.0 5.82 928 728 B 1 PHE HD% A 16 LEU HDy% 1.0 0.0 5.82 929 729 B 1 PHE HE% A 16 LEU HDx% 1.0 0.0 4.45 930 729 B 1 PHE HE% A 16 LEU HDy% 1.0 0.0 4.45 931 730 B 1 PHE HZ A 16 LEU HDx% 1.0 0.0 4.10 932 730 B 1 PHE HZ A 16 LEU HDy% 1.0 0.0 4.10 933 731 B 11 LEU HA A 16 LEU HDx% 1.0 0.0 5.35 934 731 B 11 LEU HA A 16 LEU HDy% 1.0 0.0 5.35 935 732 B 14 ALA H A 16 LEU HDx% 1.0 0.0 4.84 936 732 B 14 ALA H A 16 LEU HDy% 1.0 0.0 4.84 937 733 B 14 ALA HA A 16 LEU HDx% 1.0 0.0 5.32 938 733 B 14 ALA HA A 16 LEU HDy% 1.0 0.0 5.32 939 734 B 14 ALA HB% A 16 LEU HDx% 1.0 0.0 3.11 940 734 B 14 ALA HB% A 16 LEU HDy% 1.0 0.0 3.11 941 735 B 15 LEU HG A 16 LEU HDx% 1.0 0.0 3.64 942 735 B 15 LEU HG A 16 LEU HDy% 1.0 0.0 3.64 943 736 A 16 LEU HDx% B 15 LEU HDx% 1.0 0.0 3.47 944 736 A 16 LEU HDy% B 15 LEU HDx% 1.0 0.0 3.47 945 736 B 15 LEU HDy% A 16 LEU HDx% 1.0 0.0 3.47 946 736 A 16 LEU HDy% B 15 LEU HDy% 1.0 0.0 3.47 947 737 B 18 VAL HB A 16 LEU HDx% 1.0 0.0 4.94 948 737 B 18 VAL HB A 16 LEU HDy% 1.0 0.0 4.94 949 738 B 18 VAL HGy% A 16 LEU HDx% 1.0 0.0 3.53 950 738 B 18 VAL HGy% A 16 LEU HDy% 1.0 0.0 3.53 951 739 A 17 GLU H A 17 GLU HBx 1.0 0.0 3.16 952 739 A 17 GLU H A 17 GLU HBy 1.0 0.0 3.16 953 740 A 17 GLU H B 15 LEU HDx% 1.0 0.0 5.94 954 740 A 17 GLU H B 15 LEU HDy% 1.0 0.0 5.94 955 741 A 17 GLU HA A 17 GLU HGy 1.0 0.0 3.42 956 741 A 17 GLU HA A 17 GLU HGx 1.0 0.0 3.42 957 742 A 18 ASN H A 17 GLU HGy 1.0 0.0 4.92 958 742 A 18 ASN H A 17 GLU HGx 1.0 0.0 4.92 959 743 B 18 VAL HGy% A 17 GLU HGy 1.0 0.0 4.56 960 743 B 18 VAL HGy% A 17 GLU HGx 1.0 0.0 4.56 961 744 A 18 ASN H A 18 ASN HBy 1.0 0.0 2.96 962 744 A 18 ASN H A 18 ASN HBx 1.0 0.0 2.96 963 745 A 18 ASN H A 18 ASN HD2x 1.0 0.0 4.14 964 745 A 18 ASN H A 18 ASN HD2y 1.0 0.0 4.14 965 746 A 18 ASN HD2x A 18 ASN HBy 1.0 0.0 3.20 966 746 A 18 ASN HD2y A 18 ASN HBx 1.0 0.0 3.20 967 746 A 18 ASN HD2x A 18 ASN HBx 1.0 0.0 3.20 968 746 A 18 ASN HD2y A 18 ASN HBy 1.0 0.0 3.20 969 747 A 19 TYR H A 18 ASN HBy 1.0 0.0 4.11 970 747 A 19 TYR H A 18 ASN HBx 1.0 0.0 4.11 971 748 A 19 TYR HD% A 18 ASN HBy 1.0 0.0 4.29 972 748 A 19 TYR HD% A 18 ASN HBx 1.0 0.0 4.29 973 749 A 19 TYR HE% A 18 ASN HBy 1.0 0.0 4.92 974 749 A 19 TYR HE% A 18 ASN HBx 1.0 0.0 4.92 975 750 A 19 TYR H B 15 LEU HDx% 1.0 0.0 4.11 976 750 A 19 TYR H B 15 LEU HDy% 1.0 0.0 4.11 977 751 A 19 TYR HA B 15 LEU HDx% 1.0 0.0 4.80 978 751 A 19 TYR HA B 15 LEU HDy% 1.0 0.0 4.80 979 752 A 19 TYR HBx B 15 LEU HDx% 1.0 0.0 3.49 980 752 A 19 TYR HBx B 15 LEU HDy% 1.0 0.0 3.49 981 753 A 19 TYR HBy B 15 LEU HDx% 1.0 0.0 3.59 982 753 A 19 TYR HBy B 15 LEU HDy% 1.0 0.0 3.59 983 754 A 19 TYR HD% B 15 LEU HDx% 1.0 0.0 3.30 984 754 A 19 TYR HD% B 15 LEU HDy% 1.0 0.0 3.30 985 755 A 19 TYR HE% B 15 LEU HDx% 1.0 0.0 4.17 986 755 A 19 TYR HE% B 15 LEU HDy% 1.0 0.0 4.17 987 756 A 20 CYS H A 20 CYS HBy 1.0 0.0 3.13 988 756 A 20 CYS H A 20 CYS HBx 1.0 0.0 3.13 989 757 A 20 CYS H B 15 LEU HDx% 1.0 0.0 4.49 990 757 A 20 CYS H B 15 LEU HDy% 1.0 0.0 4.49 991 758 A 21 ASN H A 20 CYS HBy 1.0 0.0 4.02 992 758 A 21 ASN H A 20 CYS HBx 1.0 0.0 4.02 993 759 A 21 ASN HA A 21 ASN HD2y 1.0 0.0 4.82 994 759 A 21 ASN HA A 21 ASN HD2x 1.0 0.0 4.82 995 760 A 21 ASN HBy A 21 ASN HD2y 1.0 0.0 3.14 996 760 A 21 ASN HBx A 21 ASN HD2y 1.0 0.0 3.14 997 760 A 21 ASN HD2x A 21 ASN HBy 1.0 0.0 3.14 998 760 A 21 ASN HD2x A 21 ASN HBx 1.0 0.0 3.14 999 761 B 1 PHE HE% B 6 LEU HDx% 1.0 0.0 4.79 1000 761 B 1 PHE HE% B 6 LEU HDy% 1.0 0.0 4.79 1001 762 B 1 PHE HE% B 17 LEU HDx% 1.0 0.0 4.34 1002 762 B 1 PHE HE% B 17 LEU HDy% 1.0 0.0 4.34 1003 763 B 1 PHE HZ B 6 LEU HDx% 1.0 0.0 4.32 1004 763 B 1 PHE HZ B 6 LEU HDy% 1.0 0.0 4.32 1005 764 B 1 PHE HZ B 17 LEU HDx% 1.0 0.0 5.21 1006 764 B 1 PHE HZ B 17 LEU HDy% 1.0 0.0 5.21 1007 765 B 2 VAL H B 4 GLN HE2x 1.0 0.0 4.75 1008 765 B 2 VAL H B 4 GLN HE2y 1.0 0.0 4.75 1009 766 B 2 VAL HB B 4 GLN HE2x 1.0 0.0 4.79 1010 766 B 2 VAL HB B 4 GLN HE2y 1.0 0.0 4.79 1011 767 B 2 VAL HGx% B 4 GLN HGy 1.0 0.0 4.58 1012 767 B 2 VAL HGy% B 4 GLN HGy 1.0 0.0 4.58 1013 767 B 4 GLN HGx B 2 VAL HGx% 1.0 0.0 4.58 1014 767 B 2 VAL HGy% B 4 GLN HGx 1.0 0.0 4.58 1015 768 B 2 VAL HGy% B 4 GLN HE2x 1.0 0.0 3.79 1016 768 B 4 GLN HE2y B 2 VAL HGx% 1.0 0.0 3.79 1017 768 B 4 GLN HE2x B 2 VAL HGx% 1.0 0.0 3.79 1018 768 B 2 VAL HGy% B 4 GLN HE2y 1.0 0.0 3.79 1019 769 B 3 ASN H B 3 ASN HD2x 1.0 0.0 4.06 1020 769 B 3 ASN H B 3 ASN HD2y 1.0 0.0 4.06 1021 770 B 3 ASN HA B 3 ASN HD2x 1.0 0.0 4.43 1022 770 B 3 ASN HA B 3 ASN HD2y 1.0 0.0 4.43 1023 771 B 3 ASN HD2y B 3 ASN HBx 1.0 0.0 2.90 1024 771 B 3 ASN HD2x B 3 ASN HBx 1.0 0.0 2.90 1025 771 B 3 ASN HBy B 3 ASN HD2y 1.0 0.0 2.90 1026 771 B 3 ASN HBy B 3 ASN HD2x 1.0 0.0 2.90 1027 772 B 4 GLN H B 6 LEU HDx% 1.0 0.0 4.92 1028 772 B 4 GLN H B 6 LEU HDy% 1.0 0.0 4.92 1029 773 B 4 GLN HA B 4 GLN HGy 1.0 0.0 3.58 1030 773 B 4 GLN HA B 4 GLN HGx 1.0 0.0 3.58 1031 774 B 4 GLN HBy B 6 LEU HDx% 1.0 0.0 4.54 1032 774 B 4 GLN HBy B 6 LEU HDy% 1.0 0.0 4.54 1033 775 B 4 GLN HE2x B 4 GLN HGx 1.0 0.0 3.20 1034 775 B 4 GLN HE2y B 4 GLN HGx 1.0 0.0 3.20 1035 775 B 4 GLN HE2x B 4 GLN HGy 1.0 0.0 3.20 1036 775 B 4 GLN HE2y B 4 GLN HGy 1.0 0.0 3.20 1037 776 B 5 HIS H B 4 GLN HGy 1.0 0.0 4.36 1038 776 B 5 HIS H B 4 GLN HGx 1.0 0.0 4.36 1039 777 B 4 GLN HGy B 6 LEU HDx% 1.0 0.0 4.03 1040 777 B 4 GLN HGx B 6 LEU HDx% 1.0 0.0 4.03 1041 777 B 6 LEU HDy% B 4 GLN HGy 1.0 0.0 4.03 1042 777 B 6 LEU HDy% B 4 GLN HGx 1.0 0.0 4.03 1043 778 B 4 GLN HE2x B 6 LEU HDx% 1.0 0.0 4.65 1044 778 B 4 GLN HE2x B 6 LEU HDy% 1.0 0.0 4.65 1045 778 B 4 GLN HE2y B 6 LEU HDy% 1.0 0.0 4.65 1046 778 B 4 GLN HE2y B 6 LEU HDx% 1.0 0.0 4.65 1047 779 B 5 HIS H B 5 HIS HBx 1.0 0.0 3.11 1048 779 B 5 HIS H B 5 HIS HBy 1.0 0.0 3.11 1049 780 B 5 HIS HD2 B 5 HIS HBx 1.0 0.0 3.16 1050 780 B 5 HIS HD2 B 5 HIS HBy 1.0 0.0 3.16 1051 781 B 6 LEU H B 5 HIS HBx 1.0 0.0 4.17 1052 781 B 6 LEU H B 5 HIS HBy 1.0 0.0 4.17 1053 782 B 6 LEU H B 6 LEU HDx% 1.0 0.0 4.26 1054 782 B 6 LEU H B 6 LEU HDy% 1.0 0.0 4.26 1055 783 B 6 LEU HA B 6 LEU HDx% 1.0 0.0 2.87 1056 783 B 6 LEU HA B 6 LEU HDy% 1.0 0.0 2.87 1057 784 B 6 LEU HBx B 6 LEU HDx% 1.0 0.0 2.73 1058 784 B 6 LEU HBy B 6 LEU HDx% 1.0 0.0 2.73 1059 784 B 6 LEU HDy% B 6 LEU HBx 1.0 0.0 2.73 1060 784 B 6 LEU HDy% B 6 LEU HBy 1.0 0.0 2.73 1061 785 B 7 CYS H B 6 LEU HBx 1.0 0.0 3.84 1062 785 B 7 CYS H B 6 LEU HBy 1.0 0.0 3.84 1063 786 B 11 LEU HA B 6 LEU HBx 1.0 0.0 3.53 1064 786 B 11 LEU HA B 6 LEU HBy 1.0 0.0 3.53 1065 787 B 6 LEU HBy B 11 LEU HBx 1.0 0.0 5.20 1066 787 B 11 LEU HBy B 6 LEU HBx 1.0 0.0 5.20 1067 787 B 11 LEU HBy B 6 LEU HBy 1.0 0.0 5.20 1068 787 B 6 LEU HBx B 11 LEU HBx 1.0 0.0 5.20 1069 788 B 11 LEU HDx% B 6 LEU HBx 1.0 0.0 3.25 1070 788 B 11 LEU HDx% B 6 LEU HBy 1.0 0.0 3.25 1071 789 B 7 CYS H B 6 LEU HDx% 1.0 0.0 4.08 1072 789 B 7 CYS H B 6 LEU HDy% 1.0 0.0 4.08 1073 790 B 10 HIS H B 6 LEU HDx% 1.0 0.0 5.30 1074 790 B 10 HIS H B 6 LEU HDy% 1.0 0.0 5.30 1075 791 B 6 LEU HDy% B 10 HIS HBx 1.0 0.0 3.20 1076 791 B 6 LEU HDx% B 10 HIS HBx 1.0 0.0 3.20 1077 791 B 10 HIS HBy B 6 LEU HDx% 1.0 0.0 3.20 1078 791 B 6 LEU HDy% B 10 HIS HBy 1.0 0.0 3.20 1079 792 B 10 HIS HE1 B 6 LEU HDx% 1.0 0.0 4.78 1080 792 B 10 HIS HE1 B 6 LEU HDy% 1.0 0.0 4.78 1081 793 B 11 LEU H B 6 LEU HDx% 1.0 0.0 4.80 1082 793 B 11 LEU H B 6 LEU HDy% 1.0 0.0 4.80 1083 794 B 11 LEU HA B 6 LEU HDx% 1.0 0.0 4.02 1084 794 B 11 LEU HA B 6 LEU HDy% 1.0 0.0 4.02 1085 795 B 11 LEU HG B 6 LEU HDx% 1.0 0.0 5.88 1086 795 B 11 LEU HG B 6 LEU HDy% 1.0 0.0 5.88 1087 796 B 13 GLU HBy B 6 LEU HDx% 1.0 0.0 5.04 1088 796 B 13 GLU HBy B 6 LEU HDy% 1.0 0.0 5.04 1089 797 B 14 ALA H B 6 LEU HDx% 1.0 0.0 4.67 1090 797 B 14 ALA H B 6 LEU HDy% 1.0 0.0 4.67 1091 798 B 14 ALA HB% B 6 LEU HDx% 1.0 0.0 2.81 1092 798 B 14 ALA HB% B 6 LEU HDy% 1.0 0.0 2.81 1093 799 B 6 LEU HDy% B 15 LEU HDx% 1.0 0.0 5.37 1094 799 B 6 LEU HDx% B 15 LEU HDx% 1.0 0.0 5.37 1095 799 B 15 LEU HDy% B 6 LEU HDx% 1.0 0.0 5.37 1096 799 B 15 LEU HDy% B 6 LEU HDy% 1.0 0.0 5.37 1097 800 B 7 CYS H B 7 CYS HBx 1.0 0.0 3.33 1098 800 B 7 CYS H B 7 CYS HBy 1.0 0.0 3.33 1099 801 B 7 CYS H B 10 HIS HBx 1.0 0.0 3.56 1100 801 B 7 CYS H B 10 HIS HBy 1.0 0.0 3.56 1101 802 B 7 CYS H B 11 LEU HBx 1.0 0.0 5.37 1102 802 B 7 CYS H B 11 LEU HBy 1.0 0.0 5.37 1103 803 B 7 CYS HA B 11 LEU HBx 1.0 0.0 4.59 1104 803 B 7 CYS HA B 11 LEU HBy 1.0 0.0 4.59 1105 804 B 8 GLY H B 7 CYS HBx 1.0 0.0 4.03 1106 804 B 8 GLY H B 7 CYS HBy 1.0 0.0 4.03 1107 805 B 9 SER H B 8 GLY HAy 1.0 0.0 3.11 1108 805 B 9 SER H B 8 GLY HAx 1.0 0.0 3.11 1109 806 B 10 HIS H B 8 GLY HAy 1.0 0.0 3.82 1110 806 B 10 HIS H B 8 GLY HAx 1.0 0.0 3.82 1111 807 B 10 HIS H B 10 HIS HBx 1.0 0.0 3.14 1112 807 B 10 HIS H B 10 HIS HBy 1.0 0.0 3.14 1113 808 B 11 LEU H B 10 HIS HBx 1.0 0.0 3.88 1114 808 B 11 LEU H B 10 HIS HBy 1.0 0.0 3.88 1115 809 B 11 LEU H B 11 LEU HBx 1.0 0.0 3.63 1116 809 B 11 LEU H B 11 LEU HBy 1.0 0.0 3.63 1117 810 B 12 VAL H B 11 LEU HBx 1.0 0.0 3.84 1118 810 B 12 VAL H B 11 LEU HBy 1.0 0.0 3.84 1119 811 B 11 LEU HG B 15 LEU HDx% 1.0 0.0 3.58 1120 811 B 11 LEU HG B 15 LEU HDy% 1.0 0.0 3.58 1121 812 B 11 LEU HDx% B 15 LEU HDx% 1.0 0.0 3.86 1122 812 B 11 LEU HDx% B 15 LEU HDy% 1.0 0.0 3.86 1123 813 B 12 VAL HA B 15 LEU HDx% 1.0 0.0 3.63 1124 813 B 12 VAL HA B 15 LEU HDy% 1.0 0.0 3.63 1125 814 B 12 VAL HGy% B 15 LEU HDx% 1.0 0.0 3.91 1126 814 B 12 VAL HGx% B 15 LEU HDx% 1.0 0.0 3.91 1127 814 B 15 LEU HDy% B 12 VAL HGx% 1.0 0.0 3.91 1128 814 B 12 VAL HGy% B 15 LEU HDy% 1.0 0.0 3.91 1129 815 B 13 GLU H B 15 LEU HDx% 1.0 0.0 5.95 1130 815 B 13 GLU H B 15 LEU HDy% 1.0 0.0 5.95 1131 816 B 14 ALA H B 15 LEU HDx% 1.0 0.0 5.03 1132 816 B 14 ALA H B 15 LEU HDy% 1.0 0.0 5.03 1133 817 B 14 ALA HA B 17 LEU HDx% 1.0 0.0 3.92 1134 817 B 14 ALA HA B 17 LEU HDy% 1.0 0.0 3.92 1135 818 B 14 ALA HB% B 17 LEU HDx% 1.0 0.0 4.65 1136 818 B 14 ALA HB% B 17 LEU HDy% 1.0 0.0 4.65 1137 819 B 15 LEU H B 15 LEU HDx% 1.0 0.0 3.63 1138 819 B 15 LEU H B 15 LEU HDy% 1.0 0.0 3.63 1139 820 B 15 LEU HA B 15 LEU HDx% 1.0 0.0 2.91 1140 820 B 15 LEU HA B 15 LEU HDy% 1.0 0.0 2.91 1141 821 B 16 TYR H B 15 LEU HDx% 1.0 0.0 4.30 1142 821 B 16 TYR H B 15 LEU HDy% 1.0 0.0 4.30 1143 822 B 18 VAL H B 15 LEU HDx% 1.0 0.0 5.43 1144 822 B 18 VAL H B 15 LEU HDy% 1.0 0.0 5.43 1145 823 B 18 VAL HB B 15 LEU HDx% 1.0 0.0 4.20 1146 823 B 18 VAL HB B 15 LEU HDy% 1.0 0.0 4.20 1147 824 B 18 VAL HGx% B 15 LEU HDx% 1.0 0.0 5.95 1148 824 B 18 VAL HGx% B 15 LEU HDy% 1.0 0.0 5.95 1149 825 B 18 VAL HGy% B 15 LEU HDx% 1.0 0.0 3.94 1150 825 B 18 VAL HGy% B 15 LEU HDy% 1.0 0.0 3.94 1151 826 B 19 CYS H B 15 LEU HDx% 1.0 0.0 4.68 1152 826 B 19 CYS H B 15 LEU HDy% 1.0 0.0 4.68 1153 827 B 15 LEU HDx% B 19 CYS HBy 1.0 0.0 4.30 1154 827 B 15 LEU HDy% B 19 CYS HBy 1.0 0.0 4.30 1155 827 B 19 CYS HBx B 15 LEU HDx% 1.0 0.0 4.30 1156 827 B 15 LEU HDy% B 19 CYS HBx 1.0 0.0 4.30 1157 828 B 15 LEU HDy% B 24 PHE HBx 1.0 0.0 4.10 1158 828 B 15 LEU HDx% B 24 PHE HBx 1.0 0.0 4.10 1159 828 B 24 PHE HBy B 15 LEU HDx% 1.0 0.0 4.10 1160 828 B 15 LEU HDy% B 24 PHE HBy 1.0 0.0 4.10 1161 829 B 24 PHE HD% B 15 LEU HDx% 1.0 0.0 3.81 1162 829 B 24 PHE HD% B 15 LEU HDy% 1.0 0.0 3.81 1163 830 B 24 PHE HE% B 15 LEU HDx% 1.0 0.0 3.79 1164 830 B 24 PHE HE% B 15 LEU HDy% 1.0 0.0 3.79 1165 831 B 25 PHE H B 15 LEU HDx% 1.0 0.0 5.10 1166 831 B 25 PHE H B 15 LEU HDy% 1.0 0.0 5.10 1167 832 B 15 LEU HDy% B 26 TYR HBx 1.0 0.0 4.44 1168 832 B 15 LEU HDx% B 26 TYR HBx 1.0 0.0 4.44 1169 832 B 26 TYR HBy B 15 LEU HDx% 1.0 0.0 4.44 1170 832 B 26 TYR HBy B 15 LEU HDy% 1.0 0.0 4.44 1171 833 B 26 TYR HD% B 15 LEU HDx% 1.0 0.0 4.49 1172 833 B 26 TYR HD% B 15 LEU HDy% 1.0 0.0 4.49 1173 834 B 26 TYR HE% B 15 LEU HDx% 1.0 0.0 5.35 1174 834 B 26 TYR HE% B 15 LEU HDy% 1.0 0.0 5.35 1175 835 B 16 TYR HBy B 17 LEU HDx% 1.0 0.0 3.87 1176 835 B 16 TYR HBx B 17 LEU HDx% 1.0 0.0 3.87 1177 835 B 17 LEU HDy% B 16 TYR HBx 1.0 0.0 3.87 1178 835 B 16 TYR HBy B 17 LEU HDy% 1.0 0.0 3.87 1179 836 B 17 LEU HA B 17 LEU HDx% 1.0 0.0 2.88 1180 836 B 17 LEU HA B 17 LEU HDy% 1.0 0.0 2.88 1181 837 B 18 VAL H B 19 CYS HBy 1.0 0.0 5.00 1182 837 B 18 VAL H B 19 CYS HBx 1.0 0.0 5.00 1183 838 B 19 CYS H B 19 CYS HBy 1.0 0.0 3.12 1184 838 B 19 CYS H B 19 CYS HBx 1.0 0.0 3.12 1185 839 B 24 PHE HD% B 19 CYS HBy 1.0 0.0 3.85 1186 839 B 24 PHE HD% B 19 CYS HBx 1.0 0.0 3.85 1187 840 B 24 PHE HE% B 19 CYS HBy 1.0 0.0 5.58 1188 840 B 24 PHE HE% B 19 CYS HBx 1.0 0.0 5.58 1189 841 B 21 GLU H B 21 GLU HBx 1.0 0.0 3.67 1190 841 B 21 GLU H B 21 GLU HBy 1.0 0.0 3.67 1191 842 B 22 ARG H B 22 ARG HBx 1.0 0.0 3.11 1192 842 B 22 ARG H B 22 ARG HBy 1.0 0.0 3.11 1193 843 B 22 ARG H B 22 ARG HGx 1.0 0.0 3.38 1194 843 B 22 ARG H B 22 ARG HGy 1.0 0.0 3.38 1195 844 B 24 PHE H B 24 PHE HBx 1.0 0.0 3.58 1196 844 B 24 PHE H B 24 PHE HBy 1.0 0.0 3.58 1197 845 B 25 PHE H B 24 PHE HBx 1.0 0.0 3.59 1198 845 B 25 PHE H B 24 PHE HBy 1.0 0.0 3.59 1199 846 B 25 PHE HD% B 24 PHE HBx 1.0 0.0 4.84 1200 846 B 25 PHE HD% B 24 PHE HBy 1.0 0.0 4.84 1201 847 B 25 PHE HE% B 24 PHE HBx 1.0 0.0 5.61 1202 847 B 25 PHE HE% B 24 PHE HBy 1.0 0.0 5.61 1203 848 B 25 PHE H B 25 PHE HBx 1.0 0.0 3.53 1204 848 B 25 PHE H B 25 PHE HBy 1.0 0.0 3.53 1205 849 B 26 TYR H B 25 PHE HBx 1.0 0.0 3.64 1206 849 B 26 TYR H B 25 PHE HBy 1.0 0.0 3.64 1207 850 B 26 TYR HD% B 28 PRO HBy 1.0 0.0 4.73 1208 850 B 26 TYR HD% B 28 PRO HBx 1.0 0.0 4.73 1209 851 B 26 TYR HD% B 28 PRO HGy 1.0 0.0 5.63 1210 851 B 26 TYR HD% B 28 PRO HGx 1.0 0.0 5.63 1211 852 B 26 TYR HE% B 28 PRO HBy 1.0 0.0 4.17 1212 852 B 26 TYR HE% B 28 PRO HBx 1.0 0.0 4.17 1213 853 B 26 TYR HE% B 28 PRO HGy 1.0 0.0 5.21 1214 853 B 26 TYR HE% B 28 PRO HGx 1.0 0.0 5.21 1215 854 B 29 LYS H B 28 PRO HBy 1.0 0.0 3.55 1216 854 B 29 LYS H B 28 PRO HBx 1.0 0.0 3.55 1217 855 B 29 LYS H B 28 PRO HGy 1.0 0.0 4.31 1218 855 B 29 LYS H B 28 PRO HGx 1.0 0.0 4.31 1219 856 B 29 LYS H B 29 LYS HBx 1.0 0.0 3.31 1220 856 B 29 LYS H B 29 LYS HBy 1.0 0.0 3.31 1221 857 B 29 LYS H B 29 LYS HGy 1.0 0.0 3.82 1222 857 B 29 LYS H B 29 LYS HGx 1.0 0.0 3.82 1223 858 A 6 CYS SG A 11 CYS SG 1.0 0.0 2.10 1224 859 A 6 CYS SG A 11 CYS CB 1.0 0.0 3.10 1225 860 A 11 CYS SG A 6 CYS CB 1.0 0.0 3.10 1226 861 A 7 CYS SG B 7 CYS SG 1.0 0.0 2.10 1227 862 A 7 CYS SG B 7 CYS CB 1.0 0.0 3.10 1228 863 B 7 CYS SG A 7 CYS CB 1.0 0.0 3.10 1229 864 A 20 CYS SG B 19 CYS SG 1.0 0.0 2.10 1230 865 A 20 CYS SG B 19 CYS CB 1.0 0.0 3.10 1231 866 B 19 CYS SG A 20 CYS CB 1.0 0.0 3.10 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 ILE C A 3 VAL N A 3 VAL CA A 3 VAL C 1.0 -91.6 -47.4 PHI 2 2 A 3 VAL N A 3 VAL CA A 3 VAL C A 4 GLU N 1.0 -51.5 -27.1 PSI 3 3 A 3 VAL C A 4 GLU N A 4 GLU CA A 4 GLU C 1.0 -76.0 -55.8 PHI 4 4 A 4 GLU N A 4 GLU CA A 4 GLU C A 5 GLN N 1.0 -48.8 -28.6 PSI 5 5 A 4 GLU C A 5 GLN N A 5 GLN CA A 5 GLN C 1.0 -105.5 -56.5 PHI 6 6 A 5 GLN N A 5 GLN CA A 5 GLN C A 6 CYS N 1.0 -67.6 26.6 PSI 7 7 A 7 CYS C A 8 THR N A 8 THR CA A 8 THR C 1.0 -88.1 -49.5 PHI 8 8 A 8 THR N A 8 THR CA A 8 THR C A 9 SER N 1.0 -59.3 -13.5 PSI 9 9 A 11 CYS C A 12 SER N A 12 SER CA A 12 SER C 1.0 -170.9 -33.9 PHI 10 10 A 12 SER N A 12 SER CA A 12 SER C A 13 LEU N 1.0 142.0 185.2 PSI 11 11 A 12 SER C A 13 LEU N A 13 LEU CA A 13 LEU C 1.0 -69.9 -47.7 PHI 12 12 A 13 LEU N A 13 LEU CA A 13 LEU C A 14 TYR N 1.0 -50.7 -27.9 PSI 13 13 A 13 LEU C A 14 TYR N A 14 TYR CA A 14 TYR C 1.0 -81.5 -48.1 PHI 14 14 A 14 TYR N A 14 TYR CA A 14 TYR C A 15 GLN N 1.0 -50.1 -30.1 PSI 15 15 A 14 TYR C A 15 GLN N A 15 GLN CA A 15 GLN C 1.0 -74.7 -54.7 PHI 16 16 A 15 GLN N A 15 GLN CA A 15 GLN C A 16 LEU N 1.0 -54.0 -33.6 PSI 17 17 A 15 GLN C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -69.9 -49.5 PHI 18 18 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 GLU N 1.0 -57.0 -37.0 PSI 19 19 A 16 LEU C A 17 GLU N A 17 GLU CA A 17 GLU C 1.0 -84.1 -51.9 PHI 20 20 A 17 GLU N A 17 GLU CA A 17 GLU C A 18 ASN N 1.0 -53.9 -7.5 PSI 21 21 A 17 GLU C A 18 ASN N A 18 ASN CA A 18 ASN C 1.0 -74.0 -54.0 PHI 22 22 A 18 ASN N A 18 ASN CA A 18 ASN C A 19 TYR N 1.0 -51.8 -31.8 PSI 23 23 A 18 ASN C A 19 TYR N A 19 TYR CA A 19 TYR C 1.0 -130.6 -58.4 PHI 24 24 A 19 TYR N A 19 TYR CA A 19 TYR C A 20 CYS N 1.0 -54.0 21.2 PSI 25 25 B 1 PHE C B 2 VAL N B 2 VAL CA B 2 VAL C 1.0 -138.5 -84.5 PHI 26 26 B 2 VAL N B 2 VAL CA B 2 VAL C B 3 ASN N 1.0 93.3 143.7 PSI 27 27 B 2 VAL C B 3 ASN N B 3 ASN CA B 3 ASN C 1.0 -122.4 -53.8 PHI 28 28 B 3 ASN N B 3 ASN CA B 3 ASN C B 4 GLN N 1.0 96.8 162.6 PSI 29 29 B 3 ASN C B 4 GLN N B 4 GLN CA B 4 GLN C 1.0 -160.3 -55.9 PHI 30 30 B 4 GLN N B 4 GLN CA B 4 GLN C B 5 HIS N 1.0 114.0 172.8 PSI 31 31 B 4 GLN C B 5 HIS N B 5 HIS CA B 5 HIS C 1.0 -115.2 -56.8 PHI 32 32 B 5 HIS N B 5 HIS CA B 5 HIS C B 6 LEU N 1.0 79.6 177.6 PSI 33 33 B 5 HIS C B 6 LEU N B 6 LEU CA B 6 LEU C 1.0 -187.0 -72.0 PHI 34 34 B 6 LEU N B 6 LEU CA B 6 LEU C B 7 CYS N 1.0 105.3 189.1 PSI 35 35 B 8 GLY C B 9 SER N B 9 SER CA B 9 SER C 1.0 -83.4 -37.8 PHI 36 36 B 9 SER N B 9 SER CA B 9 SER C B 10 HIS N 1.0 -68.7 3.5 PSI 37 37 B 9 SER C B 10 HIS N B 10 HIS CA B 10 HIS C 1.0 -99.5 -38.1 PHI 38 38 B 10 HIS N B 10 HIS CA B 10 HIS C B 11 LEU N 1.0 -73.6 -1.6 PSI 39 39 B 10 HIS C B 11 LEU N B 11 LEU CA B 11 LEU C 1.0 -73.7 -51.5 PHI 40 40 B 11 LEU N B 11 LEU CA B 11 LEU C B 12 VAL N 1.0 -57.9 -28.5 PSI 41 41 B 11 LEU C B 12 VAL N B 12 VAL CA B 12 VAL C 1.0 -88.9 -46.3 PHI 42 42 B 12 VAL N B 12 VAL CA B 12 VAL C B 13 GLU N 1.0 -62.2 -20.4 PSI 43 43 B 12 VAL C B 13 GLU N B 13 GLU CA B 13 GLU C 1.0 -76.8 -56.8 PHI 44 44 B 13 GLU N B 13 GLU CA B 13 GLU C B 14 ALA N 1.0 -57.9 -21.3 PSI 45 45 B 13 GLU C B 14 ALA N B 14 ALA CA B 14 ALA C 1.0 -77.8 -49.2 PHI 46 46 B 14 ALA N B 14 ALA CA B 14 ALA C B 15 LEU N 1.0 -63.3 -22.9 PSI 47 47 B 14 ALA C B 15 LEU N B 15 LEU CA B 15 LEU C 1.0 -77.0 -55.8 PHI 48 48 B 15 LEU N B 15 LEU CA B 15 LEU C B 16 TYR N 1.0 -51.7 -22.7 PSI 49 49 B 15 LEU C B 16 TYR N B 16 TYR CA B 16 TYR C 1.0 -75.7 -55.1 PHI 50 50 B 16 TYR N B 16 TYR CA B 16 TYR C B 17 LEU N 1.0 -60.4 -22.0 PSI 51 51 B 16 TYR C B 17 LEU N B 17 LEU CA B 17 LEU C 1.0 -71.9 -48.1 PHI 52 52 B 17 LEU N B 17 LEU CA B 17 LEU C B 18 VAL N 1.0 -51.4 -31.4 PSI 53 53 B 17 LEU C B 18 VAL N B 18 VAL CA B 18 VAL C 1.0 -119.7 -57.1 PHI 54 54 B 18 VAL N B 18 VAL CA B 18 VAL C B 19 CYS N 1.0 -69.7 3.1 PSI 55 55 B 20 GLY C B 21 GLU N B 21 GLU CA B 21 GLU C 1.0 -78.6 -43.6 PHI 56 56 B 21 GLU N B 21 GLU CA B 21 GLU C B 22 ARG N 1.0 -53.9 -6.3 PSI 57 57 B 24 PHE C B 25 PHE N B 25 PHE CA B 25 PHE C 1.0 -154.2 -41.0 PHI 58 58 B 25 PHE N B 25 PHE CA B 25 PHE C B 26 TYR N 1.0 107.6 169.0 PSI 59 59 B 25 PHE C B 26 TYR N B 26 TYR CA B 26 TYR C 1.0 -163.8 -47.2 PHI 60 60 B 26 TYR N B 26 TYR CA B 26 TYR C B 27 THR N 1.0 97.3 166.7 PSI 61 61 B 26 TYR C B 27 THR N B 27 THR CA B 27 THR C 1.0 -161.1 -44.3 PHI 62 62 B 27 THR N B 27 THR CA B 27 THR C B 28 PRO N 1.0 84.8 157.0 PSI 63 63 B 28 PRO C B 29 LYS N B 29 LYS CA B 29 LYS C 1.0 -155.5 -56.3 PHI 64 64 B 29 LYS N B 29 LYS CA B 29 LYS C B 30 THR N 1.0 84.8 178.2 PSI stop_ save_