data_nef_c18965_2m3j save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 1 CYS SG 1 16 CYS SG 1 8 CYS SG 1 21 CYS SG 1 15 CYS SG 1 30 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 CYS start -HG . 2 A 2 PRO middle . false 3 A 3 GLY middle . false 4 A 4 GLU middle . . 5 A 5 GLY middle . false 6 A 6 GLU middle . . 7 A 7 GLN middle . . 8 A 8 CYS middle -HG . 9 A 9 ASP middle . . 10 A 10 VAL middle . . 11 A 11 GLU middle . . 12 A 12 PHE middle . . 13 A 13 ASN middle . . 14 A 14 PRO middle . false 15 A 15 CYS middle -HG . 16 A 16 CYS middle -HG . 17 A 17 PRO middle . false 18 A 18 PRO middle . false 19 A 19 LEU middle . . 20 A 20 THR middle . . 21 A 21 CYS middle -HG . 22 A 22 ILE middle . . 23 A 23 PRO middle . true 24 A 24 GLY middle . false 25 A 25 ASP middle . . 26 A 26 PRO middle . true 27 A 27 TYR middle . . 28 A 28 GLY middle . false 29 A 29 ILE middle . . 30 A 30 CYS middle -HG . 31 A 31 TYR middle . . 32 A 32 ILE middle . . 33 A 33 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 1 CYS HA H 1 4.619 0.001 A 1 CYS HBy H 1 3.677 0.001 A 1 CYS HBx H 1 3.175 0.001 A 1 CYS CA C 13 49.334 0.000 A 1 CYS CB C 13 38.651 0.000 A 2 PRO HA H 1 4.601 0.001 A 2 PRO HB2 H 1 2.277 0.001 A 2 PRO HB3 H 1 2.277 0.001 A 2 PRO HDx H 1 3.479 0.001 A 2 PRO HDy H 1 4.147 0.001 A 2 PRO HGx H 1 2.011 0.002 A 2 PRO HGy H 1 2.120 0.004 A 2 PRO CA C 13 59.993 0.000 A 2 PRO CB C 13 30.244 0.000 A 2 PRO CD C 13 47.966 0.020 A 2 PRO CG C 13 25.445 0.000 A 3 GLY H H 1 7.940 0.001 A 3 GLY HAx H 1 3.408 0.001 A 3 GLY HAy H 1 4.319 0.002 A 3 GLY CA C 13 39.400 0.004 A 4 GLU H H 1 8.371 0.001 A 4 GLU HA H 1 3.711 0.001 A 4 GLU HB2 H 1 1.949 0.000 A 4 GLU HB3 H 1 1.949 0.000 A 4 GLU HGx H 1 2.396 0.001 A 4 GLU HGy H 1 2.458 0.003 A 4 GLU CA C 13 54.640 0.000 A 4 GLU CB C 13 24.145 0.000 A 4 GLU CG C 13 29.415 0.004 A 5 GLY H H 1 9.308 0.001 A 5 GLY HAx H 1 3.304 0.002 A 5 GLY HAy H 1 4.159 0.002 A 5 GLY CA C 13 42.803 0.004 A 6 GLU H H 1 7.895 0.002 A 6 GLU HA H 1 4.579 0.001 A 6 GLU HBx H 1 2.044 0.002 A 6 GLU HBy H 1 2.399 0.002 A 6 GLU HG2 H 1 2.310 0.005 A 6 GLU HG3 H 1 2.310 0.005 A 6 GLU CA C 13 51.761 0.000 A 6 GLU CB C 13 28.055 0.000 A 6 GLU CG C 13 31.172 0.000 A 7 GLN H H 1 8.508 0.001 A 7 GLN HA H 1 4.834 0.001 A 7 GLN HBx H 1 2.018 0.005 A 7 GLN HBy H 1 2.177 0.001 A 7 GLN HE2x H 1 6.852 0.002 A 7 GLN HE2y H 1 7.575 0.000 A 7 GLN HGx H 1 2.540 0.002 A 7 GLN HGy H 1 2.596 0.002 A 7 GLN CA C 13 54.005 0.000 A 7 GLN CB C 13 27.599 0.004 A 7 GLN CG C 13 31.905 0.004 A 8 CYS H H 1 8.554 0.001 A 8 CYS HA H 1 5.190 0.001 A 8 CYS HBy H 1 3.329 0.000 A 8 CYS HBx H 1 2.994 0.001 A 8 CYS CA C 13 50.825 0.000 A 8 CYS CB C 13 48.493 0.000 A 9 ASP H H 1 7.836 0.001 A 9 ASP HA H 1 5.262 0.002 A 9 ASP HBx H 1 2.591 0.001 A 9 ASP HBy H 1 2.915 0.001 A 9 ASP CA C 13 49.421 0.000 A 9 ASP CB C 13 37.917 0.004 A 10 VAL H H 1 8.708 0.000 A 10 VAL HA H 1 3.610 0.001 A 10 VAL HB H 1 2.177 0.004 A 10 VAL HGx% H 1 1.052 0.003 A 10 VAL HGy% H 1 1.043 0.003 A 10 VAL CA C 13 63.189 0.000 A 10 VAL CB C 13 29.284 0.000 A 10 VAL CGy C 13 19.378 0.000 A 10 VAL CGx C 13 17.086 0.000 A 11 GLU H H 1 7.335 0.001 A 11 GLU HA H 1 4.236 0.001 A 11 GLU HB2 H 1 1.713 0.001 A 11 GLU HB3 H 1 1.713 0.001 A 11 GLU HGx H 1 1.962 0.002 A 11 GLU HGy H 1 2.075 0.002 A 11 GLU CA C 13 54.259 0.000 A 11 GLU CB C 13 26.461 0.000 A 11 GLU CG C 13 29.941 0.001 A 12 PHE H H 1 6.967 0.001 A 12 PHE HA H 1 4.802 0.001 A 12 PHE HBx H 1 2.812 0.001 A 12 PHE HBy H 1 3.126 0.002 A 12 PHE HDx H 1 7.179 0.001 A 12 PHE HDy H 1 7.179 0.001 A 12 PHE HEx H 1 7.278 0.001 A 12 PHE HEy H 1 7.278 0.001 A 12 PHE HZ H 1 7.235 0.000 A 12 PHE CA C 13 55.782 0.000 A 12 PHE CB C 13 39.222 0.000 A 12 PHE CDx C 13 128.969 0.000 A 12 PHE CDy C 13 128.969 0.000 A 12 PHE CEx C 13 128.318 0.000 A 12 PHE CEy C 13 128.318 0.000 A 12 PHE CZ C 13 126.883 0.000 A 13 ASN H H 1 8.563 0.001 A 13 ASN HA H 1 5.260 0.001 A 13 ASN HBx H 1 2.432 0.002 A 13 ASN HBy H 1 2.705 0.002 A 13 ASN HD2x H 1 6.547 0.001 A 13 ASN HD2y H 1 7.554 0.003 A 13 ASN CA C 13 48.898 0.000 A 13 ASN CB C 13 36.212 0.004 A 14 PRO HA H 1 4.148 0.001 A 14 PRO HBy H 1 2.289 0.002 A 14 PRO HBx H 1 2.129 0.000 A 14 PRO HDx H 1 3.354 0.002 A 14 PRO HDy H 1 3.581 0.001 A 14 PRO HGx H 1 1.950 0.001 A 14 PRO HGy H 1 2.034 0.000 A 14 PRO CA C 13 60.041 0.000 A 14 PRO CB C 13 29.383 0.004 A 14 PRO CD C 13 47.288 0.000 A 14 PRO CG C 13 24.160 0.000 A 15 CYS H H 1 7.274 0.003 A 15 CYS HA H 1 4.416 0.001 A 15 CYS HBy H 1 3.023 0.001 A 15 CYS HBx H 1 2.447 0.001 A 15 CYS CA C 13 53.244 0.000 A 15 CYS CB C 13 40.066 0.004 A 16 CYS H H 1 8.778 0.001 A 16 CYS HA H 1 4.819 0.001 A 16 CYS HBy H 1 3.232 0.001 A 16 CYS HBx H 1 2.386 0.001 A 16 CYS CA C 13 49.651 0.000 A 16 CYS CB C 13 35.224 0.000 A 17 PRO HA H 1 4.929 0.001 A 17 PRO HBy H 1 2.328 0.001 A 17 PRO HBx H 1 1.835 0.001 A 17 PRO HDx H 1 3.690 0.001 A 17 PRO HDy H 1 4.083 0.001 A 17 PRO HGx H 1 2.090 0.002 A 17 PRO HGy H 1 2.195 0.003 A 17 PRO CA C 13 58.859 0.000 A 17 PRO CB C 13 28.059 0.004 A 17 PRO CD C 13 47.022 0.004 A 17 PRO CG C 13 25.144 0.000 A 18 PRO HA H 1 4.798 0.001 A 18 PRO HBy H 1 2.738 0.001 A 18 PRO HBx H 1 1.921 0.001 A 18 PRO HDx H 1 3.245 0.003 A 18 PRO HDy H 1 3.595 0.001 A 18 PRO HGx H 1 1.633 0.003 A 18 PRO HGy H 1 2.003 0.002 A 18 PRO CA C 13 61.040 0.000 A 18 PRO CB C 13 28.721 0.008 A 18 PRO CD C 13 45.685 0.000 A 18 PRO CG C 13 21.488 0.016 A 19 LEU H H 1 8.766 0.002 A 19 LEU HA H 1 4.368 0.001 A 19 LEU HBx H 1 1.412 0.001 A 19 LEU HBy H 1 2.196 0.003 A 19 LEU HDx% H 1 0.927 0.001 A 19 LEU HDy% H 1 0.774 0.001 A 19 LEU HG H 1 1.655 0.001 A 19 LEU CA C 13 53.855 0.000 A 19 LEU CB C 13 39.047 0.000 A 19 LEU CDy C 13 23.217 0.000 A 19 LEU CDx C 13 22.281 0.000 A 19 LEU CG C 13 26.326 0.000 A 20 THR H H 1 8.856 0.001 A 20 THR HA H 1 4.514 0.001 A 20 THR HB H 1 3.853 0.001 A 20 THR HG2% H 1 1.181 0.001 A 20 THR CA C 13 58.312 0.000 A 20 THR CB C 13 68.281 0.000 A 20 THR CG2 C 13 18.387 0.000 A 21 CYS H H 1 7.983 0.002 A 21 CYS HA H 1 4.712 0.003 A 21 CYS HBy H 1 3.176 0.000 A 21 CYS HBx H 1 2.777 0.002 A 21 CYS CA C 13 52.340 0.000 A 21 CYS CB C 13 37.187 0.004 A 22 ILE H H 1 8.818 0.001 A 22 ILE HA H 1 4.664 0.002 A 22 ILE HB H 1 2.177 0.001 A 22 ILE HD1% H 1 0.766 0.001 A 22 ILE HG1x H 1 1.234 0.001 A 22 ILE HG1y H 1 1.670 0.001 A 22 ILE HG2% H 1 0.889 0.002 A 22 ILE CA C 13 54.711 0.000 A 22 ILE CB C 13 38.230 0.000 A 22 ILE CD1 C 13 9.409 0.000 A 22 ILE CG1 C 13 24.196 0.004 A 22 ILE CG2 C 13 13.390 0.000 A 23 PRO HA H 1 4.611 0.002 A 23 PRO HBy H 1 2.449 0.001 A 23 PRO HBx H 1 2.129 0.002 A 23 PRO HDx H 1 3.735 0.001 A 23 PRO HDy H 1 4.175 0.002 A 23 PRO HGx H 1 2.022 0.002 A 23 PRO HGy H 1 2.324 0.002 A 23 PRO CA C 13 61.786 0.000 A 23 PRO CB C 13 31.453 0.004 A 23 PRO CD C 13 47.264 0.008 A 23 PRO CG C 13 22.705 0.004 A 24 GLY H H 1 7.877 0.001 A 24 GLY HAx H 1 3.088 0.001 A 24 GLY HAy H 1 3.674 0.001 A 24 GLY CA C 13 44.520 0.000 A 25 ASP H H 1 7.734 0.000 A 25 ASP HA H 1 5.107 0.001 A 25 ASP HBx H 1 2.375 0.001 A 25 ASP HBy H 1 3.020 0.002 A 25 ASP CA C 13 48.128 0.000 A 25 ASP CB C 13 35.895 0.004 A 26 PRO HA H 1 4.297 0.001 A 26 PRO HB2 H 1 1.939 0.002 A 26 PRO HB3 H 1 1.939 0.002 A 26 PRO HDx H 1 3.424 0.001 A 26 PRO HDy H 1 3.512 0.002 A 26 PRO HGx H 1 0.998 0.002 A 26 PRO HGy H 1 1.635 0.001 A 26 PRO CA C 13 60.929 0.000 A 26 PRO CB C 13 31.695 0.000 A 26 PRO CD C 13 47.577 0.004 A 26 PRO CG C 13 20.461 0.004 A 27 TYR H H 1 7.474 0.002 A 27 TYR HA H 1 5.447 0.001 A 27 TYR HBx H 1 3.060 0.001 A 27 TYR HBy H 1 3.340 0.001 A 27 TYR HDx H 1 7.188 0.001 A 27 TYR HDy H 1 7.188 0.001 A 27 TYR HEx H 1 6.802 0.001 A 27 TYR HEy H 1 6.802 0.001 A 27 TYR CA C 13 54.751 0.000 A 27 TYR CB C 13 37.913 0.000 A 27 TYR CDx C 13 129.595 0.000 A 27 TYR CDy C 13 129.595 0.000 A 27 TYR CEx C 13 115.526 0.000 A 27 TYR CEy C 13 115.526 0.000 A 28 GLY H H 1 8.310 0.001 A 28 GLY HAx H 1 3.810 0.001 A 28 GLY HAy H 1 4.196 0.002 A 28 GLY CA C 13 44.321 0.000 A 29 ILE H H 1 8.697 0.001 A 29 ILE HA H 1 4.770 0.001 A 29 ILE HB H 1 1.711 0.002 A 29 ILE HD1% H 1 0.877 0.002 A 29 ILE HG1x H 1 1.219 0.002 A 29 ILE HG1y H 1 1.564 0.002 A 29 ILE HG2% H 1 0.550 0.001 A 29 ILE CA C 13 56.281 0.000 A 29 ILE CB C 13 38.587 0.000 A 29 ILE CD1 C 13 9.313 0.000 A 29 ILE CG1 C 13 25.088 0.000 A 29 ILE CG2 C 13 14.770 0.000 A 30 CYS H H 1 8.168 0.001 A 30 CYS HA H 1 5.218 0.002 A 30 CYS HBy H 1 3.331 0.001 A 30 CYS HBx H 1 2.624 0.001 A 30 CYS CA C 13 52.816 0.000 A 30 CYS CB C 13 39.043 0.004 A 31 TYR H H 1 9.356 0.001 A 31 TYR HA H 1 4.971 0.001 A 31 TYR HBy H 1 3.065 0.001 A 31 TYR HBx H 1 2.617 0.001 A 31 TYR HDx H 1 7.192 0.001 A 31 TYR HDy H 1 7.192 0.001 A 31 TYR HEx H 1 6.681 0.001 A 31 TYR HEy H 1 6.681 0.001 A 31 TYR CA C 13 54.814 0.000 A 31 TYR CB C 13 40.621 0.012 A 31 TYR CDx C 13 130.714 0.000 A 31 TYR CDy C 13 130.714 0.000 A 31 TYR CEx C 13 114.804 0.000 A 31 TYR CEy C 13 114.804 0.000 A 32 ILE H H 1 8.076 0.005 A 32 ILE HA H 1 4.413 0.001 A 32 ILE HB H 1 1.775 0.003 A 32 ILE HD1% H 1 0.903 0.002 A 32 ILE HG1x H 1 1.113 0.003 A 32 ILE HG1y H 1 1.636 0.003 A 32 ILE HG2% H 1 0.973 0.002 A 32 ILE CA C 13 58.090 0.000 A 32 ILE CB C 13 36.866 0.000 A 32 ILE CD1 C 13 10.560 0.000 A 32 ILE CG1 C 13 25.675 0.008 A 32 ILE CG2 C 13 14.183 0.000 A 33 ILE H H 1 8.179 0.002 A 33 ILE HA H 1 4.463 0.001 A 33 ILE HB H 1 1.952 0.002 A 33 ILE HD1% H 1 0.928 0.000 A 33 ILE HG1x H 1 1.325 0.000 A 33 ILE HG1y H 1 1.545 0.001 A 33 ILE HG2% H 1 0.967 0.001 A 33 ILE CA C 13 56.916 0.000 A 33 ILE CB C 13 36.874 0.000 A 33 ILE CD1 C 13 10.640 0.000 A 33 ILE CG1 C 13 24.954 0.000 A 33 ILE CG2 C 13 14.889 0.000 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 30 CYS HA A 31 TYR H 1.0 0.0 2.51 2 2 A 31 TYR H A 21 CYS HA 1.0 0.0 3.94 3 3 A 31 TYR H A 20 THR HA 1.0 0.0 5.02 4 4 A 31 TYR H A 19 LEU HA 1.0 0.0 5.50 5 5 A 31 TYR H A 20 THR HB 1.0 0.0 4.66 6 6 A 31 TYR H A 30 CYS HBy 1.0 0.0 4.67 7 7 A 31 TYR H A 31 TYR HBx 1.0 0.0 3.93 8 8 A 31 TYR H A 31 TYR HBy 1.0 0.0 3.05 9 9 A 31 TYR H A 22 ILE HB 1.0 0.0 4.52 10 10 A 31 TYR H A 22 ILE HG1y 1.0 0.0 4.61 11 11 A 31 TYR H A 19 LEU HBy 1.0 0.0 3.83 12 12 A 31 TYR H A 22 ILE HG1x 1.0 0.0 5.34 13 13 A 31 TYR H A 20 THR HG2% 1.0 0.0 4.65 14 14 A 31 TYR H A 22 ILE HD1% 1.0 0.0 3.98 15 15 A 31 TYR H A 29 ILE HG2% 1.0 0.0 5.04 16 16 A 5 GLY H A 31 TYR HA 1.0 0.0 5.23 17 17 A 5 GLY H A 5 GLY HAx 1.0 0.0 2.91 18 18 A 5 GLY H A 4 GLU HA 1.0 0.0 2.48 19 19 A 30 CYS HBy A 5 GLY H 1.0 0.0 3.87 20 20 A 5 GLY H A 30 CYS HBx 1.0 0.0 4.21 21 21 A 5 GLY H A 4 GLU HB2 1.0 0.0 3.79 22 21 A 5 GLY H A 4 GLU HB3 1.0 0.0 3.79 23 22 A 30 CYS HA A 20 THR H 1.0 0.0 4.44 24 23 A 19 LEU HA A 20 THR H 1.0 0.0 2.83 25 24 A 20 THR HB A 20 THR H 1.0 0.0 3.36 26 25 A 31 TYR HBy A 20 THR H 1.0 0.0 4.91 27 26 A 20 THR H A 19 LEU HBx 1.0 0.0 3.91 28 27 A 20 THR H A 19 LEU HG 1.0 0.0 4.86 29 28 A 22 ILE HG1y A 20 THR H 1.0 0.0 5.28 30 29 A 19 LEU HBy A 20 THR H 1.0 0.0 3.22 31 30 A 20 THR HG2% A 20 THR H 1.0 0.0 3.95 32 31 A 22 ILE HD1% A 20 THR H 1.0 0.0 4.54 33 32 A 30 CYS HA A 22 ILE H 1.0 0.0 4.14 34 33 A 21 CYS HA A 22 ILE H 1.0 0.0 2.66 35 34 A 22 ILE H A 23 PRO HA 1.0 0.0 5.50 36 35 A 22 ILE H A 28 GLY HAx 1.0 0.0 5.50 37 36 A 22 ILE H A 28 GLY HAy 1.0 0.0 4.03 38 37 A 22 ILE H A 21 CYS HBy 1.0 0.0 4.72 39 38 A 22 ILE H A 21 CYS HBx 1.0 0.0 4.75 40 39 A 31 TYR HBy A 22 ILE H 1.0 0.0 5.15 41 40 A 22 ILE HB A 22 ILE H 1.0 0.0 3.05 42 41 A 22 ILE HG1y A 22 ILE H 1.0 0.0 3.62 43 42 A 22 ILE HG1x A 22 ILE H 1.0 0.0 4.03 44 43 A 20 THR HG2% A 22 ILE H 1.0 0.0 5.00 45 44 A 22 ILE H A 22 ILE HG2% 1.0 0.0 4.04 46 45 A 22 ILE HD1% A 22 ILE H 1.0 0.0 4.27 47 46 A 29 ILE HG2% A 22 ILE H 1.0 0.0 5.21 48 47 A 1 CYS HA A 16 CYS H 1.0 0.0 5.44 49 48 A 16 CYS H A 2 PRO HA 1.0 0.0 5.50 50 49 A 16 CYS H A 15 CYS HA 1.0 0.0 2.47 51 50 A 16 CYS H A 3 GLY HAx 1.0 0.0 4.16 52 51 A 16 CYS H A 2 PRO HDx 1.0 0.0 3.60 53 52 A 16 CYS H A 1 CYS HBy 1.0 0.0 3.28 54 53 A 16 CYS H A 2 PRO HDy 1.0 0.0 4.98 55 54 A 16 CYS H A 3 GLY HAy 1.0 0.0 5.50 56 55 A 16 CYS H A 16 CYS HBx 1.0 0.0 3.38 57 56 A 16 CYS H A 1 CYS HBx 1.0 0.0 4.28 58 57 A 16 CYS H A 15 CYS HBy 1.0 0.0 5.05 59 58 A 15 CYS HBy A 19 LEU H 1.0 0.0 5.34 60 59 A 16 CYS H A 16 CYS HBy 1.0 0.0 2.99 61 60 A 19 LEU H A 17 PRO HBy 1.0 0.0 4.52 62 61 A 19 LEU HBx A 19 LEU H 1.0 0.0 3.01 63 62 A 19 LEU HG A 19 LEU H 1.0 0.0 3.60 64 63 A 19 LEU H A 17 PRO HBx 1.0 0.0 5.50 65 64 A 19 LEU HBy A 19 LEU H 1.0 0.0 3.75 66 65 A 19 LEU H A 19 LEU HDx% 1.0 0.0 4.32 67 66 A 10 VAL H A 27 TYR HA 1.0 0.0 3.90 68 67 A 10 VAL H A 9 ASP HA 1.0 0.0 2.67 69 68 A 10 VAL H A 9 ASP HBx 1.0 0.0 4.58 70 69 A 10 VAL H A 9 ASP HBy 1.0 0.0 4.58 71 70 A 10 VAL H A 10 VAL HGy% 1.0 0.0 2.72 72 71 A 21 CYS HA A 29 ILE H 1.0 0.0 4.27 73 72 A 29 ILE H A 22 ILE HA 1.0 0.0 4.92 74 73 A 10 VAL H A 26 PRO HA 1.0 0.0 4.93 75 74 A 28 GLY HAx A 29 ILE H 1.0 0.0 3.06 76 75 A 28 GLY HAy A 29 ILE H 1.0 0.0 2.87 77 76 A 29 ILE H A 29 ILE HB 1.0 0.0 3.16 78 77 A 29 ILE H A 29 ILE HG1x 1.0 0.0 4.25 79 78 A 29 ILE H A 29 ILE HG1y 1.0 0.0 4.25 80 79 A 29 ILE H A 29 ILE HD1% 1.0 0.0 4.19 81 80 A 29 ILE HG2% A 29 ILE H 1.0 0.0 4.03 82 81 A 13 ASN H A 14 PRO HA 1.0 0.0 4.89 83 82 A 13 ASN H A 14 PRO HDx 1.0 0.0 4.23 84 83 A 8 CYS H A 8 CYS HBx 1.0 0.0 3.74 85 84 A 13 ASN H A 14 PRO HDy 1.0 0.0 4.23 86 85 A 13 ASN H A 12 PHE HBx 1.0 0.0 4.45 87 86 A 13 ASN H A 12 PHE HBy 1.0 0.0 4.45 88 87 A 13 ASN H A 13 ASN HBy 1.0 0.0 3.76 89 88 A 13 ASN H A 13 ASN HBx 1.0 0.0 3.83 90 89 A 13 ASN H A 11 GLU HB2 1.0 0.0 4.88 91 89 A 13 ASN H A 11 GLU HB3 1.0 0.0 4.88 92 90 A 27 TYR HA A 8 CYS H 1.0 0.0 5.16 93 91 A 8 CYS H A 7 GLN HA 1.0 0.0 2.54 94 92 A 8 CYS H A 29 ILE HA 1.0 0.0 3.52 95 93 A 8 CYS H A 7 GLN HGy 1.0 0.0 4.45 96 94 A 8 CYS H A 7 GLN HBx 1.0 0.0 4.28 97 95 A 8 CYS H A 7 GLN HBy 1.0 0.0 4.28 98 96 A 29 ILE HD1% A 8 CYS H 1.0 0.0 4.49 99 97 A 29 ILE HG2% A 8 CYS H 1.0 0.0 4.72 100 98 A 6 GLU HA A 7 GLN H 1.0 0.0 2.65 101 99 A 7 GLN H A 7 GLN HGx 1.0 0.0 4.20 102 100 A 7 GLN HGy A 7 GLN H 1.0 0.0 4.48 103 101 A 7 GLN H A 6 GLU HG2 1.0 0.0 3.84 104 101 A 7 GLN H A 6 GLU HG3 1.0 0.0 3.84 105 102 A 29 ILE HD1% A 7 GLN H 1.0 0.0 4.35 106 103 A 29 ILE HG2% A 7 GLN H 1.0 0.0 4.44 107 104 A 3 GLY HAx A 4 GLU H 1.0 0.0 2.87 108 105 A 3 GLY HAy A 4 GLU H 1.0 0.0 2.67 109 106 A 30 CYS HBx A 4 GLU H 1.0 0.0 4.96 110 107 A 4 GLU H A 4 GLU HGx 1.0 0.0 4.68 111 108 A 4 GLU H A 4 GLU HGy 1.0 0.0 4.68 112 109 A 4 GLU H A 4 GLU HB2 1.0 0.0 2.52 113 109 A 4 GLU HB3 A 4 GLU H 1.0 0.0 2.52 114 110 A 19 LEU HDx% A 4 GLU H 1.0 0.0 3.14 115 111 A 27 TYR HA A 28 GLY H 1.0 0.0 2.70 116 112 A 9 ASP HA A 28 GLY H 1.0 0.0 3.85 117 113 A 28 GLY H A 27 TYR HBy 1.0 0.0 2.96 118 114 A 28 GLY H A 24 GLY HAx 1.0 0.0 4.08 119 115 A 28 GLY H A 27 TYR HBx 1.0 0.0 4.21 120 116 A 7 GLN HGx A 28 GLY H 1.0 0.0 4.88 121 117 A 7 GLN HGy A 28 GLY H 1.0 0.0 5.48 122 118 A 28 GLY H A 7 GLN HBx 1.0 0.0 5.50 123 119 A 28 GLY H A 7 GLN HBy 1.0 0.0 5.50 124 120 A 29 ILE HD1% A 28 GLY H 1.0 0.0 5.30 125 121 A 7 GLN HA A 28 GLY H 1.0 0.0 4.67 126 122 A 29 ILE HA A 28 GLY H 1.0 0.0 4.81 127 123 A 7 GLN HA A 30 CYS H 1.0 0.0 3.84 128 124 A 29 ILE HA A 30 CYS H 1.0 0.0 2.54 129 125 A 32 ILE HA A 33 ILE H 1.0 0.0 2.62 130 126 A 20 THR HB A 33 ILE H 1.0 0.0 5.18 131 127 A 4 GLU HA A 30 CYS H 1.0 0.0 4.66 132 128 A 30 CYS HBy A 30 CYS H 1.0 0.0 2.87 133 129 A 31 TYR HBx A 33 ILE H 1.0 0.0 5.50 134 130 A 30 CYS HBx A 30 CYS H 1.0 0.0 3.55 135 131 A 33 ILE H A 33 ILE HB 1.0 0.0 3.82 136 132 A 33 ILE H A 32 ILE HB 1.0 0.0 4.29 137 133 A 33 ILE H A 32 ILE HG1x 1.0 0.0 4.48 138 134 A 33 ILE H A 33 ILE HG1x 1.0 0.0 4.02 139 135 A 33 ILE H A 33 ILE HG1y 1.0 0.0 4.02 140 136 A 29 ILE HB A 30 CYS H 1.0 0.0 3.67 141 137 A 20 THR HG2% A 33 ILE H 1.0 0.0 4.77 142 138 A 33 ILE H A 32 ILE HG1y 1.0 0.0 4.48 143 139 A 33 ILE H A 33 ILE HG2% 1.0 0.0 3.78 144 140 A 29 ILE HD1% A 30 CYS H 1.0 0.0 4.38 145 141 A 33 ILE H A 32 ILE HD1% 1.0 0.0 4.89 146 142 A 29 ILE HG2% A 30 CYS H 1.0 0.0 2.99 147 143 A 31 TYR HA A 32 ILE H 1.0 0.0 2.78 148 144 A 31 TYR HBx A 32 ILE H 1.0 0.0 3.27 149 145 A 31 TYR HBy A 32 ILE H 1.0 0.0 3.91 150 146 A 32 ILE HB A 32 ILE H 1.0 0.0 3.21 151 147 A 32 ILE H A 32 ILE HG2% 1.0 0.0 3.54 152 148 A 22 ILE HD1% A 32 ILE H 1.0 0.0 3.88 153 149 A 30 CYS HA A 21 CYS H 1.0 0.0 5.34 154 150 A 20 THR HA A 21 CYS H 1.0 0.0 2.54 155 151 A 20 THR HB A 21 CYS H 1.0 0.0 4.21 156 152 A 21 CYS HBy A 21 CYS H 1.0 0.0 2.98 157 153 A 21 CYS HBx A 21 CYS H 1.0 0.0 3.18 158 154 A 15 CYS HBy A 21 CYS H 1.0 0.0 4.76 159 155 A 20 THR HG2% A 21 CYS H 1.0 0.0 3.31 160 156 A 2 PRO HGx A 3 GLY H 1.0 0.0 3.86 161 157 A 2 PRO HA A 3 GLY H 1.0 0.0 2.81 162 158 A 4 GLU HA A 6 GLU H 1.0 0.0 4.01 163 159 A 30 CYS HBx A 6 GLU H 1.0 0.0 4.32 164 160 A 6 GLU H A 6 GLU HBx 1.0 0.0 3.84 165 161 A 23 PRO HGx A 24 GLY H 1.0 0.0 3.41 166 162 A 6 GLU H A 6 GLU HBy 1.0 0.0 3.84 167 163 A 24 GLY H A 23 PRO HGy 1.0 0.0 4.22 168 164 A 29 ILE HG2% A 6 GLU H 1.0 0.0 3.92 169 165 A 22 ILE HA A 24 GLY H 1.0 0.0 3.82 170 166 A 28 GLY HAx A 24 GLY H 1.0 0.0 4.06 171 167 A 28 GLY HAy A 24 GLY H 1.0 0.0 3.25 172 168 A 24 GLY HAx A 24 GLY H 1.0 0.0 2.68 173 169 A 24 GLY H A 23 PRO HBy 1.0 0.0 4.00 174 170 A 24 GLY H A 10 VAL HGx% 1.0 0.0 5.07 175 171 A 14 PRO HA A 9 ASP H 1.0 0.0 3.90 176 172 A 9 ASP H A 8 CYS HA 1.0 0.0 2.72 177 173 A 9 ASP H A 10 VAL HA 1.0 0.0 5.10 178 174 A 8 CYS HBx A 9 ASP H 1.0 0.0 3.96 179 175 A 9 ASP H A 8 CYS HBy 1.0 0.0 3.13 180 176 A 9 ASP H A 9 ASP HBx 1.0 0.0 3.92 181 177 A 13 ASN HBy A 9 ASP H 1.0 0.0 3.32 182 178 A 9 ASP H A 9 ASP HBy 1.0 0.0 3.92 183 179 A 13 ASN HBx A 9 ASP H 1.0 0.0 4.90 184 180 A 9 ASP H A 2 PRO HGy 1.0 0.0 5.14 185 181 A 10 VAL HGx% A 9 ASP H 1.0 0.0 5.23 186 182 A 26 PRO HA A 25 ASP H 1.0 0.0 4.32 187 183 A 28 GLY HAy A 25 ASP H 1.0 0.0 5.06 188 184 A 24 GLY HAx A 25 ASP H 1.0 0.0 3.44 189 185 A 25 ASP H A 25 ASP HBx 1.0 0.0 4.03 190 186 A 25 ASP H A 25 ASP HBy 1.0 0.0 4.03 191 187 A 23 PRO HGx A 25 ASP H 1.0 0.0 3.74 192 188 A 23 PRO HBy A 25 ASP H 1.0 0.0 4.01 193 189 A 25 ASP H A 26 PRO HB2 1.0 0.0 5.36 194 189 A 25 ASP H A 26 PRO HB3 1.0 0.0 5.36 195 190 A 23 PRO HGy A 25 ASP H 1.0 0.0 4.85 196 191 A 10 VAL HGx% A 25 ASP H 1.0 0.0 5.15 197 192 A 10 VAL HGy% A 25 ASP H 1.0 0.0 5.45 198 193 A 27 TYR HA A 25 ASP H 1.0 0.0 5.36 199 194 A 13 ASN HA A 13 ASN HD2x 1.0 0.0 4.52 200 195 A 8 CYS HA A 13 ASN HD2x 1.0 0.0 3.60 201 196 A 26 PRO HDy A 27 TYR H 1.0 0.0 3.90 202 197 A 27 TYR H A 26 PRO HDx 1.0 0.0 3.18 203 198 A 27 TYR HBy A 27 TYR H 1.0 0.0 3.88 204 199 A 27 TYR HBx A 27 TYR H 1.0 0.0 3.14 205 200 A 27 TYR H A 26 PRO HB2 1.0 0.0 4.20 206 200 A 26 PRO HB3 A 27 TYR H 1.0 0.0 4.20 207 201 A 27 TYR H A 26 PRO HGx 1.0 0.0 4.23 208 202 A 27 TYR H A 26 PRO HGy 1.0 0.0 4.23 209 203 A 27 TYR H A 25 ASP HA 1.0 0.0 4.89 210 204 A 9 ASP HA A 11 GLU H 1.0 0.0 4.45 211 205 A 11 GLU H A 12 PHE HA 1.0 0.0 5.20 212 206 A 10 VAL HA A 11 GLU H 1.0 0.0 3.53 213 207 A 11 GLU H A 9 ASP HBx 1.0 0.0 5.19 214 208 A 11 GLU H A 9 ASP HBy 1.0 0.0 5.19 215 209 A 11 GLU H A 10 VAL HB 1.0 0.0 4.53 216 210 A 11 GLU H A 11 GLU HGx 1.0 0.0 3.98 217 211 A 11 GLU H A 11 GLU HGy 1.0 0.0 3.98 218 212 A 11 GLU H A 11 GLU HB2 1.0 0.0 3.11 219 212 A 11 GLU HB3 A 11 GLU H 1.0 0.0 3.11 220 213 A 10 VAL HGy% A 11 GLU H 1.0 0.0 3.84 221 214 A 14 PRO HA A 15 CYS H 1.0 0.0 2.66 222 215 A 10 VAL HA A 15 CYS H 1.0 0.0 5.50 223 216 A 21 CYS HBy A 15 CYS H 1.0 0.0 4.67 224 217 A 15 CYS H A 15 CYS HBx 1.0 0.0 3.52 225 218 A 15 CYS HBy A 15 CYS H 1.0 0.0 3.01 226 219 A 15 CYS H A 14 PRO HBy 1.0 0.0 3.72 227 220 A 15 CYS H A 14 PRO HBx 1.0 0.0 3.72 228 221 A 13 ASN HA A 12 PHE H 1.0 0.0 4.59 229 222 A 12 PHE H A 12 PHE HBx 1.0 0.0 3.85 230 223 A 12 PHE H A 12 PHE HBy 1.0 0.0 3.85 231 224 A 12 PHE H A 11 GLU HB2 1.0 0.0 3.59 232 224 A 11 GLU HB3 A 12 PHE H 1.0 0.0 3.59 233 225 A 26 PRO HDy A 27 TYR HD% 1.0 0.0 5.27 234 226 A 27 TYR HA A 27 TYR HD% 1.0 0.0 3.23 235 227 A 9 ASP HA A 27 TYR HD% 1.0 0.0 3.93 236 228 A 30 CYS HA A 31 TYR HD% 1.0 0.0 5.29 237 229 A 31 TYR HA A 31 TYR HD% 1.0 0.0 3.39 238 230 A 12 PHE HA A 12 PHE HD% 1.0 0.0 3.35 239 231 A 26 PRO HDx A 27 TYR HD% 1.0 0.0 4.18 240 232 A 13 ASN HBy A 12 PHE HD% 1.0 0.0 5.50 241 233 A 13 ASN HBy A 27 TYR HD% 1.0 0.0 5.50 242 234 A 13 ASN HBx A 12 PHE HD% 1.0 0.0 4.68 243 235 A 22 ILE HB A 31 TYR HD% 1.0 0.0 3.13 244 236 A 27 TYR HD% A 26 PRO HB2 1.0 0.0 4.40 245 236 A 26 PRO HB3 A 27 TYR HD% 1.0 0.0 4.40 246 237 A 29 ILE HB A 31 TYR HD% 1.0 0.0 3.64 247 238 A 22 ILE HG1y A 31 TYR HD% 1.0 0.0 4.09 248 239 A 27 TYR HD% A 26 PRO HGx 1.0 0.0 4.37 249 240 A 22 ILE HG1x A 31 TYR HD% 1.0 0.0 5.36 250 241 A 20 THR HG2% A 31 TYR HD% 1.0 0.0 5.50 251 242 A 27 TYR HD% A 26 PRO HGy 1.0 0.0 4.37 252 243 A 32 ILE HG2% A 31 TYR HD% 1.0 0.0 4.76 253 244 A 22 ILE HG2% A 31 TYR HD% 1.0 0.0 3.92 254 245 A 22 ILE HD1% A 31 TYR HD% 1.0 0.0 3.49 255 246 A 29 ILE HG2% A 31 TYR HD% 1.0 0.0 4.21 256 247 A 27 TYR HA A 27 TYR HE% 1.0 0.0 5.08 257 248 A 9 ASP HA A 27 TYR HE% 1.0 0.0 4.93 258 249 A 26 PRO HDy A 27 TYR HE% 1.0 0.0 5.50 259 250 A 26 PRO HDx A 27 TYR HE% 1.0 0.0 5.16 260 251 A 27 TYR HE% A 26 PRO HB2 1.0 0.0 4.98 261 251 A 26 PRO HB3 A 27 TYR HE% 1.0 0.0 4.98 262 252 A 27 TYR HE% A 26 PRO HGx 1.0 0.0 4.49 263 253 A 27 TYR HE% A 26 PRO HGy 1.0 0.0 4.49 264 254 A 10 VAL HA A 12 PHE H 1.0 0.0 4.91 265 255 A 8 CYS HA A 13 ASN HD2y 1.0 0.0 4.02 266 256 A 13 ASN HA A 13 ASN HD2y 1.0 0.0 4.81 267 257 A 1 CYS HA A 13 ASN HD2y 1.0 0.0 5.20 268 258 A 2 PRO HA A 13 ASN HD2y 1.0 0.0 5.50 269 259 A 2 PRO HDx A 13 ASN HD2y 1.0 0.0 4.90 270 260 A 2 PRO HDy A 13 ASN HD2y 1.0 0.0 4.17 271 261 A 13 ASN HBy A 13 ASN HD2y 1.0 0.0 3.63 272 262 A 13 ASN HBx A 13 ASN HD2y 1.0 0.0 3.91 273 263 A 22 ILE HB A 31 TYR HE% 1.0 0.0 4.18 274 264 A 13 ASN HD2y A 2 PRO HB2 1.0 0.0 4.56 275 264 A 13 ASN HD2y A 2 PRO HB3 1.0 0.0 4.56 276 265 A 2 PRO HGx A 13 ASN HD2y 1.0 0.0 4.54 277 266 A 2 PRO HGy A 13 ASN HD2y 1.0 0.0 4.71 278 267 A 31 TYR H A 20 THR H 1.0 0.0 3.26 279 268 A 31 TYR H A 22 ILE H 1.0 0.0 4.85 280 269 A 5 GLY H A 4 GLU H 1.0 0.0 4.68 281 270 A 31 TYR H A 30 CYS H 1.0 0.0 4.33 282 271 A 5 GLY H A 30 CYS H 1.0 0.0 4.10 283 272 A 31 TYR H A 32 ILE H 1.0 0.0 4.56 284 273 A 5 GLY H A 6 GLU H 1.0 0.0 3.13 285 274 A 31 TYR H A 31 TYR HD% 1.0 0.0 3.97 286 275 A 5 GLY H A 31 TYR HD% 1.0 0.0 5.02 287 276 A 22 ILE H A 29 ILE H 1.0 0.0 3.20 288 277 A 29 ILE H A 28 GLY H 1.0 0.0 4.29 289 278 A 8 CYS H A 28 GLY H 1.0 0.0 3.36 290 279 A 20 THR H A 33 ILE H 1.0 0.0 4.87 291 280 A 20 THR H A 21 CYS H 1.0 0.0 4.88 292 281 A 29 ILE H A 30 CYS H 1.0 0.0 4.50 293 282 A 8 CYS H A 30 CYS H 1.0 0.0 4.73 294 283 A 22 ILE H A 21 CYS H 1.0 0.0 4.61 295 284 A 22 ILE H A 24 GLY H 1.0 0.0 4.99 296 285 A 16 CYS H A 3 GLY H 1.0 0.0 5.37 297 286 A 22 ILE H A 30 CYS H 1.0 0.0 5.23 298 287 A 29 ILE H A 24 GLY H 1.0 0.0 4.31 299 288 A 10 VAL H A 9 ASP H 1.0 0.0 4.57 300 289 A 22 ILE H A 31 TYR HD% 1.0 0.0 3.92 301 290 A 16 CYS H A 15 CYS H 1.0 0.0 4.66 302 291 A 10 VAL H A 11 GLU H 1.0 0.0 3.17 303 292 A 10 VAL H A 12 PHE H 1.0 0.0 4.87 304 293 A 22 ILE H A 31 TYR HE% 1.0 0.0 5.50 305 294 A 29 ILE H A 31 TYR HE% 1.0 0.0 4.84 306 295 A 13 ASN H A 12 PHE H 1.0 0.0 2.72 307 296 A 13 ASN H A 12 PHE HD% 1.0 0.0 5.10 308 297 A 13 ASN H A 11 GLU H 1.0 0.0 4.02 309 298 A 13 ASN H A 13 ASN HD2x 1.0 0.0 5.50 310 299 A 8 CYS H A 9 ASP H 1.0 0.0 4.82 311 300 A 13 ASN H A 9 ASP H 1.0 0.0 5.14 312 301 A 7 GLN H A 30 CYS H 1.0 0.0 5.34 313 302 A 7 GLN H A 6 GLU H 1.0 0.0 4.67 314 303 A 4 GLU H A 3 GLY H 1.0 0.0 4.60 315 304 A 4 GLU H A 6 GLU H 1.0 0.0 4.92 316 305 A 28 GLY H A 24 GLY H 1.0 0.0 4.50 317 306 A 28 GLY H A 25 ASP H 1.0 0.0 5.16 318 307 A 28 GLY H A 27 TYR H 1.0 0.0 4.66 319 308 A 30 CYS H A 6 GLU H 1.0 0.0 3.75 320 309 A 28 GLY H A 27 TYR HD% 1.0 0.0 4.39 321 310 A 32 ILE H A 31 TYR HD% 1.0 0.0 4.03 322 311 A 24 GLY H A 25 ASP H 1.0 0.0 3.02 323 312 A 24 GLY H A 27 TYR H 1.0 0.0 5.33 324 313 A 9 ASP H A 13 ASN HD2x 1.0 0.0 4.38 325 314 A 21 CYS H A 15 CYS H 1.0 0.0 5.50 326 315 A 25 ASP H A 27 TYR H 1.0 0.0 3.81 327 316 A 9 ASP H A 15 CYS H 1.0 0.0 5.50 328 317 A 27 TYR H A 27 TYR HD% 1.0 0.0 3.51 329 318 A 9 ASP H A 12 PHE H 1.0 0.0 5.50 330 319 A 27 TYR H A 27 TYR HE% 1.0 0.0 4.87 331 320 A 9 ASP H A 13 ASN HD2y 1.0 0.0 4.62 332 321 A 11 GLU H A 12 PHE H 1.0 0.0 3.02 333 322 A 27 TYR HA A 9 ASP HA 1.0 0.0 3.20 334 323 A 30 CYS HA A 21 CYS HA 1.0 0.0 3.57 335 324 A 26 PRO HA A 25 ASP HA 1.0 0.0 3.48 336 325 A 28 GLY HAx A 27 TYR HA 1.0 0.0 5.21 337 326 A 2 PRO HDx A 13 ASN HA 1.0 0.0 5.08 338 327 A 2 PRO HDx A 8 CYS HA 1.0 0.0 5.50 339 328 A 14 PRO HA A 8 CYS HA 1.0 0.0 5.50 340 329 A 28 GLY HAy A 27 TYR HA 1.0 0.0 5.34 341 330 A 23 PRO HA A 22 ILE HA 1.0 0.0 3.32 342 331 A 1 CYS HA A 2 PRO HDx 1.0 0.0 3.20 343 332 A 15 CYS HA A 2 PRO HDx 1.0 0.0 3.62 344 333 A 15 CYS HA A 1 CYS HBy 1.0 0.0 4.44 345 334 A 1 CYS HA A 2 PRO HDy 1.0 0.0 3.01 346 335 A 15 CYS HA A 2 PRO HDy 1.0 0.0 4.91 347 336 A 20 THR HA A 21 CYS HBy 1.0 0.0 4.49 348 337 A 15 CYS HA A 1 CYS HBx 1.0 0.0 5.50 349 338 A 20 THR HA A 15 CYS HBx 1.0 0.0 5.19 350 339 A 20 THR HA A 21 CYS HBx 1.0 0.0 5.42 351 340 A 31 TYR HBy A 32 ILE HA 1.0 0.0 5.08 352 341 A 22 ILE HA A 23 PRO HBx 1.0 0.0 5.18 353 342 A 20 THR HA A 15 CYS HBy 1.0 0.0 4.45 354 343 A 6 GLU HA A 6 GLU HG2 1.0 0.0 3.49 355 343 A 6 GLU HA A 6 GLU HG3 1.0 0.0 3.49 356 344 A 15 CYS HA A 16 CYS HBy 1.0 0.0 4.84 357 345 A 15 CYS HA A 2 PRO HB2 1.0 0.0 5.47 358 345 A 15 CYS HA A 2 PRO HB3 1.0 0.0 5.47 359 346 A 15 CYS HA A 17 PRO HGx 1.0 0.0 4.89 360 347 A 15 CYS HA A 2 PRO HGx 1.0 0.0 3.89 361 348 A 15 CYS HA A 2 PRO HGy 1.0 0.0 3.86 362 349 A 22 ILE HG1y A 23 PRO HA 1.0 0.0 5.25 363 350 A 32 ILE HA A 32 ILE HG1x 1.0 0.0 3.77 364 351 A 19 LEU HA A 19 LEU HG 1.0 0.0 3.80 365 352 A 22 ILE HG1x A 22 ILE HA 1.0 0.0 4.08 366 353 A 22 ILE HG1x A 23 PRO HA 1.0 0.0 4.83 367 354 A 20 THR HA A 20 THR HG2% 1.0 0.0 3.30 368 355 A 20 THR HA A 19 LEU HBy 1.0 0.0 5.27 369 356 A 20 THR HG2% A 33 ILE HA 1.0 0.0 4.72 370 357 A 32 ILE HA A 32 ILE HG1y 1.0 0.0 3.77 371 358 A 19 LEU HA A 20 THR HG2% 1.0 0.0 5.50 372 359 A 20 THR HG2% A 32 ILE HA 1.0 0.0 4.99 373 360 A 33 ILE HG2% A 33 ILE HA 1.0 0.0 3.29 374 361 A 32 ILE HA A 32 ILE HG2% 1.0 0.0 3.25 375 362 A 33 ILE HA A 33 ILE HD1% 1.0 0.0 4.25 376 363 A 22 ILE HG2% A 22 ILE HA 1.0 0.0 3.68 377 364 A 23 PRO HA A 22 ILE HG2% 1.0 0.0 3.08 378 365 A 32 ILE HA A 32 ILE HD1% 1.0 0.0 4.00 379 366 A 19 LEU HA A 19 LEU HDx% 1.0 0.0 4.45 380 367 A 22 ILE HD1% A 22 ILE HA 1.0 0.0 4.19 381 368 A 22 ILE HD1% A 23 PRO HA 1.0 0.0 5.05 382 369 A 29 ILE HG2% A 6 GLU HA 1.0 0.0 4.99 383 370 A 22 ILE HD1% A 32 ILE HA 1.0 0.0 4.36 384 371 A 14 PRO HA A 10 VAL HA 1.0 0.0 3.82 385 372 A 2 PRO HDx A 1 CYS HBy 1.0 0.0 3.54 386 373 A 10 VAL HA A 11 GLU HA 1.0 0.0 5.32 387 374 A 15 CYS HA A 16 CYS HBx 1.0 0.0 5.50 388 375 A 2 PRO HDx A 1 CYS HBx 1.0 0.0 3.83 389 376 A 14 PRO HA A 8 CYS HBy 1.0 0.0 3.97 390 377 A 20 THR HB A 31 TYR HBy 1.0 0.0 5.11 391 378 A 3 GLY HAx A 16 CYS HBy 1.0 0.0 4.18 392 379 A 15 CYS HBy A 14 PRO HA 1.0 0.0 4.82 393 380 A 28 GLY HAx A 29 ILE HG1x 1.0 0.0 5.50 394 381 A 28 GLY HAx A 29 ILE HG1y 1.0 0.0 5.50 395 382 A 10 VAL HGy% A 26 PRO HA 1.0 0.0 3.44 396 383 A 10 VAL HGy% A 11 GLU HA 1.0 0.0 4.49 397 384 A 3 GLY HAx A 19 LEU HDx% 1.0 0.0 3.74 398 385 A 28 GLY HAx A 29 ILE HD1% 1.0 0.0 4.63 399 386 A 29 ILE HG2% A 5 GLY HAx 1.0 0.0 4.34 400 387 A 1 CYS HBy A 2 PRO HDy 1.0 0.0 5.50 401 388 A 28 GLY HAy A 24 GLY HAx 1.0 0.0 5.50 402 389 A 21 CYS HBx A 24 GLY HAy 1.0 0.0 5.50 403 390 A 4 GLU HA A 30 CYS HBx 1.0 0.0 3.87 404 391 A 28 GLY HAy A 23 PRO HGx 1.0 0.0 5.50 405 392 A 22 ILE HB A 28 GLY HAy 1.0 0.0 5.50 406 393 A 10 VAL HA A 10 VAL HB 1.0 0.0 2.64 407 394 A 28 GLY HAy A 23 PRO HGy 1.0 0.0 5.50 408 395 A 28 GLY HAy A 29 ILE HB 1.0 0.0 5.50 409 396 A 20 THR HB A 22 ILE HG1y 1.0 0.0 4.67 410 397 A 20 THR HB A 22 ILE HD1% 1.0 0.0 3.96 411 398 A 4 GLU HA A 19 LEU HDx% 1.0 0.0 3.60 412 399 A 28 GLY HAy A 29 ILE HD1% 1.0 0.0 5.50 413 400 A 29 ILE HG2% A 28 GLY HAy 1.0 0.0 5.50 414 401 A 29 ILE HG2% A 4 GLU HA 1.0 0.0 4.86 415 402 A 2 PRO HDy A 1 CYS HBx 1.0 0.0 4.33 416 403 A 2 PRO HDy A 13 ASN HBx 1.0 0.0 5.05 417 404 A 10 VAL HGx% A 24 GLY HAy 1.0 0.0 5.50 418 405 A 10 VAL HGx% A 10 VAL HA 1.0 0.0 2.66 419 406 A 21 CYS HBy A 8 CYS HBy 1.0 0.0 5.02 420 407 A 21 CYS HBx A 8 CYS HBy 1.0 0.0 5.50 421 408 A 30 CYS HBx A 15 CYS HBx 1.0 0.0 5.50 422 409 A 13 ASN HBy A 8 CYS HBy 1.0 0.0 5.50 423 410 A 21 CYS HBx A 24 GLY HAx 1.0 0.0 5.50 424 411 A 16 CYS HBx A 17 PRO HGx 1.0 0.0 5.48 425 412 A 19 LEU HG A 15 CYS HBx 1.0 0.0 5.50 426 413 A 8 CYS HBy A 2 PRO HGy 1.0 0.0 5.47 427 414 A 2 PRO HGx A 8 CYS HBy 1.0 0.0 5.29 428 415 A 31 TYR HBx A 32 ILE HB 1.0 0.0 5.50 429 416 A 30 CYS HBy A 29 ILE HB 1.0 0.0 5.50 430 417 A 31 TYR HBx A 22 ILE HG1y 1.0 0.0 5.50 431 418 A 19 LEU HBy A 15 CYS HBx 1.0 0.0 5.08 432 419 A 31 TYR HBx A 22 ILE HG1x 1.0 0.0 5.50 433 420 A 31 TYR HBx A 20 THR HG2% 1.0 0.0 5.50 434 421 A 31 TYR HBx A 32 ILE HG2% 1.0 0.0 5.50 435 422 A 20 THR HG2% A 21 CYS HBy 1.0 0.0 5.50 436 423 A 31 TYR HBx A 22 ILE HD1% 1.0 0.0 5.11 437 424 A 31 TYR HBx A 22 ILE HG2% 1.0 0.0 5.50 438 425 A 29 ILE HD1% A 27 TYR HBx 1.0 0.0 5.50 439 426 A 30 CYS HBy A 29 ILE HG2% 1.0 0.0 4.63 440 427 A 19 LEU HBy A 30 CYS HBx 1.0 0.0 5.50 441 428 A 19 LEU HBy A 15 CYS HBy 1.0 0.0 5.02 442 429 A 29 ILE HB A 29 ILE HD1% 1.0 0.0 3.60 443 430 A 10 VAL HGy% A 11 GLU HB2 1.0 0.0 4.52 444 430 A 10 VAL HGy% A 11 GLU HB3 1.0 0.0 4.52 445 431 A 19 LEU HBy A 19 LEU HDx% 1.0 0.0 3.70 446 432 A 22 ILE HG1x A 22 ILE HG2% 1.0 0.0 3.30 447 433 A 29 ILE HG2% A 29 ILE HG1y 1.0 0.0 3.83 448 434 A 17 PRO HA A 18 PRO HBx 1.0 0.0 5.05 449 435 A 7 GLN HA A 29 ILE HA 1.0 0.0 4.76 450 436 A 31 TYR HA A 32 ILE HA 1.0 0.0 4.80 451 437 A 1 CYS HBy A 16 CYS HA 1.0 0.0 3.46 452 438 A 1 CYS HBx A 16 CYS HA 1.0 0.0 5.50 453 439 A 7 GLN HA A 7 GLN HGx 1.0 0.0 4.18 454 440 A 31 TYR HA A 4 GLU HGx 1.0 0.0 5.02 455 441 A 7 GLN HA A 29 ILE HG1x 1.0 0.0 5.27 456 442 A 7 GLN HA A 29 ILE HG1y 1.0 0.0 5.27 457 443 A 29 ILE HD1% A 7 GLN HA 1.0 0.0 3.51 458 444 A 22 ILE HD1% A 31 TYR HA 1.0 0.0 4.67 459 445 A 29 ILE HG2% A 7 GLN HA 1.0 0.0 3.84 460 446 A 15 CYS HA A 16 CYS HA 1.0 0.0 5.45 461 447 A 28 GLY HAx A 29 ILE HA 1.0 0.0 5.50 462 448 A 28 GLY HAy A 29 ILE HA 1.0 0.0 5.50 463 449 A 31 TYR HA A 4 GLU HGy 1.0 0.0 5.02 464 450 A 31 TYR HA A 32 ILE HB 1.0 0.0 5.07 465 451 A 31 TYR HA A 32 ILE HG2% 1.0 0.0 4.61 466 452 A 29 ILE HD1% A 29 ILE HA 1.0 0.0 3.53 467 453 A 29 ILE HG2% A 29 ILE HG1x 1.0 0.0 3.83 468 454 A 31 TYR HBy A 22 ILE HD1% 1.0 0.0 4.05 469 455 A 3 GLY H A 6 GLU HBy 1.0 0.0 3.59 470 455 A 3 GLY H A 6 GLU HBx 1.0 0.0 3.59 471 456 A 3 GLY HAx A 17 PRO HDx 1.0 0.0 4.43 472 456 A 3 GLY HAx A 17 PRO HDy 1.0 0.0 4.43 473 457 A 4 GLU H A 4 GLU HGx 1.0 0.0 3.93 474 457 A 4 GLU H A 4 GLU HGy 1.0 0.0 3.93 475 458 A 4 GLU HA A 4 GLU HGx 1.0 0.0 3.65 476 458 A 4 GLU HA A 4 GLU HGy 1.0 0.0 3.65 477 459 A 5 GLY H A 4 GLU HGx 1.0 0.0 3.75 478 459 A 5 GLY H A 4 GLU HGy 1.0 0.0 3.75 479 460 A 31 TYR HA A 4 GLU HGx 1.0 0.0 4.28 480 460 A 31 TYR HA A 4 GLU HGy 1.0 0.0 4.28 481 461 A 31 TYR HD% A 4 GLU HGx 1.0 0.0 4.51 482 461 A 31 TYR HD% A 4 GLU HGy 1.0 0.0 4.51 483 462 A 32 ILE H A 4 GLU HGx 1.0 0.0 5.34 484 462 A 32 ILE H A 4 GLU HGy 1.0 0.0 5.34 485 463 A 6 GLU H A 6 GLU HBy 1.0 0.0 3.01 486 463 A 6 GLU H A 6 GLU HBx 1.0 0.0 3.01 487 464 A 7 GLN H A 6 GLU HBy 1.0 0.0 3.59 488 464 A 7 GLN H A 6 GLU HBx 1.0 0.0 3.59 489 465 A 30 CYS H A 6 GLU HBy 1.0 0.0 5.01 490 465 A 30 CYS H A 6 GLU HBx 1.0 0.0 5.01 491 466 A 7 GLN H A 7 GLN HBx 1.0 0.0 2.77 492 466 A 7 GLN H A 7 GLN HBy 1.0 0.0 2.77 493 467 A 7 GLN HA A 29 ILE HG1y 1.0 0.0 4.46 494 467 A 7 GLN HA A 29 ILE HG1x 1.0 0.0 4.46 495 468 A 8 CYS H A 7 GLN HBx 1.0 0.0 3.62 496 468 A 8 CYS H A 7 GLN HBy 1.0 0.0 3.62 497 469 A 28 GLY H A 7 GLN HBx 1.0 0.0 4.68 498 469 A 28 GLY H A 7 GLN HBy 1.0 0.0 4.68 499 470 A 8 CYS H A 7 GLN HE2x 1.0 0.0 5.34 500 470 A 8 CYS H A 7 GLN HE2y 1.0 0.0 5.34 501 471 A 9 ASP H A 9 ASP HBx 1.0 0.0 3.28 502 471 A 9 ASP H A 9 ASP HBy 1.0 0.0 3.28 503 472 A 10 VAL H A 9 ASP HBx 1.0 0.0 3.96 504 472 A 10 VAL H A 9 ASP HBy 1.0 0.0 3.96 505 473 A 11 GLU H A 9 ASP HBx 1.0 0.0 4.56 506 473 A 11 GLU H A 9 ASP HBy 1.0 0.0 4.56 507 474 A 12 PHE H A 9 ASP HBx 1.0 0.0 3.99 508 474 A 12 PHE H A 9 ASP HBy 1.0 0.0 3.99 509 475 A 9 ASP HBy A 12 PHE HBy 1.0 0.0 5.18 510 475 A 9 ASP HBx A 12 PHE HBy 1.0 0.0 5.18 511 475 A 12 PHE HBx A 9 ASP HBx 1.0 0.0 5.18 512 475 A 9 ASP HBy A 12 PHE HBx 1.0 0.0 5.18 513 476 A 13 ASN H A 9 ASP HBx 1.0 0.0 3.38 514 476 A 13 ASN H A 9 ASP HBy 1.0 0.0 3.38 515 477 A 13 ASN HBx A 9 ASP HBx 1.0 0.0 5.34 516 477 A 13 ASN HBx A 9 ASP HBy 1.0 0.0 5.34 517 478 A 13 ASN HBy A 9 ASP HBx 1.0 0.0 3.96 518 478 A 13 ASN HBy A 9 ASP HBy 1.0 0.0 3.96 519 479 A 27 TYR HD% A 9 ASP HBx 1.0 0.0 3.38 520 479 A 27 TYR HD% A 9 ASP HBy 1.0 0.0 3.38 521 480 A 27 TYR HE% A 9 ASP HBx 1.0 0.0 3.66 522 480 A 27 TYR HE% A 9 ASP HBy 1.0 0.0 3.66 523 481 A 28 GLY H A 9 ASP HBx 1.0 0.0 5.34 524 481 A 28 GLY H A 9 ASP HBy 1.0 0.0 5.34 525 482 A 10 VAL H A 11 GLU HGx 1.0 0.0 3.50 526 482 A 10 VAL H A 11 GLU HGy 1.0 0.0 3.50 527 483 A 11 GLU H A 11 GLU HGx 1.0 0.0 3.39 528 483 A 11 GLU H A 11 GLU HGy 1.0 0.0 3.39 529 484 A 11 GLU H A 12 PHE HBy 1.0 0.0 5.10 530 484 A 11 GLU H A 12 PHE HBx 1.0 0.0 5.10 531 485 A 11 GLU HB3 A 12 PHE HBy 1.0 0.0 5.34 532 485 A 12 PHE HBx A 11 GLU HB2 1.0 0.0 5.34 533 485 A 11 GLU HB3 A 12 PHE HBx 1.0 0.0 5.34 534 485 A 11 GLU HB2 A 12 PHE HBy 1.0 0.0 5.34 535 486 A 12 PHE H A 11 GLU HGx 1.0 0.0 4.80 536 486 A 12 PHE H A 11 GLU HGy 1.0 0.0 4.80 537 487 A 13 ASN H A 11 GLU HGx 1.0 0.0 5.34 538 487 A 13 ASN H A 11 GLU HGy 1.0 0.0 5.34 539 488 A 12 PHE H A 12 PHE HBy 1.0 0.0 3.23 540 488 A 12 PHE H A 12 PHE HBx 1.0 0.0 3.23 541 489 A 12 PHE H A 14 PRO HDy 1.0 0.0 4.19 542 489 A 12 PHE H A 14 PRO HDx 1.0 0.0 4.19 543 490 A 12 PHE HA A 14 PRO HDy 1.0 0.0 4.95 544 490 A 12 PHE HA A 14 PRO HDx 1.0 0.0 4.95 545 491 A 13 ASN H A 12 PHE HBy 1.0 0.0 3.79 546 491 A 13 ASN H A 12 PHE HBx 1.0 0.0 3.79 547 492 A 13 ASN H A 14 PRO HGx 1.0 0.0 5.35 548 492 A 13 ASN H A 14 PRO HGy 1.0 0.0 5.35 549 493 A 13 ASN H A 14 PRO HDy 1.0 0.0 3.62 550 493 A 13 ASN H A 14 PRO HDx 1.0 0.0 3.62 551 494 A 13 ASN HBx A 14 PRO HDy 1.0 0.0 4.72 552 494 A 13 ASN HBx A 14 PRO HDx 1.0 0.0 4.72 553 495 A 15 CYS H A 14 PRO HBx 1.0 0.0 3.13 554 495 A 15 CYS H A 14 PRO HBy 1.0 0.0 3.13 555 496 A 15 CYS HA A 14 PRO HBx 1.0 0.0 5.34 556 496 A 15 CYS HA A 14 PRO HBy 1.0 0.0 5.34 557 497 A 16 CYS H A 17 PRO HDx 1.0 0.0 4.44 558 497 A 16 CYS H A 17 PRO HDy 1.0 0.0 4.44 559 498 A 16 CYS HBy A 17 PRO HDx 1.0 0.0 4.06 560 498 A 16 CYS HBy A 17 PRO HDy 1.0 0.0 4.06 561 499 A 16 CYS HBx A 17 PRO HDx 1.0 0.0 3.99 562 499 A 16 CYS HBx A 17 PRO HDy 1.0 0.0 3.99 563 500 A 19 LEU H A 18 PRO HDx 1.0 0.0 4.61 564 500 A 19 LEU H A 18 PRO HDy 1.0 0.0 4.61 565 501 A 20 THR HB A 33 ILE HG1y 1.0 0.0 4.79 566 501 A 20 THR HB A 33 ILE HG1x 1.0 0.0 4.79 567 502 A 22 ILE H A 23 PRO HDx 1.0 0.0 5.17 568 502 A 22 ILE H A 23 PRO HDy 1.0 0.0 5.17 569 503 A 22 ILE HG2% A 23 PRO HDx 1.0 0.0 3.95 570 503 A 22 ILE HG2% A 23 PRO HDy 1.0 0.0 3.95 571 504 A 22 ILE HD1% A 32 ILE HG1y 1.0 0.0 5.34 572 504 A 22 ILE HD1% A 32 ILE HG1x 1.0 0.0 5.34 573 505 A 24 GLY H A 23 PRO HDx 1.0 0.0 3.60 574 505 A 24 GLY H A 23 PRO HDy 1.0 0.0 3.60 575 506 A 23 PRO HDx A 29 ILE HG1y 1.0 0.0 4.76 576 506 A 23 PRO HDy A 29 ILE HG1y 1.0 0.0 4.76 577 506 A 29 ILE HG1x A 23 PRO HDx 1.0 0.0 4.76 578 506 A 29 ILE HG1x A 23 PRO HDy 1.0 0.0 4.76 579 507 A 25 ASP H A 25 ASP HBy 1.0 0.0 3.47 580 507 A 25 ASP H A 25 ASP HBx 1.0 0.0 3.47 581 508 A 26 PRO HA A 25 ASP HBy 1.0 0.0 4.21 582 508 A 26 PRO HA A 25 ASP HBx 1.0 0.0 4.21 583 509 A 27 TYR H A 26 PRO HGy 1.0 0.0 3.52 584 509 A 27 TYR H A 26 PRO HGx 1.0 0.0 3.52 585 510 A 27 TYR HE% A 26 PRO HGy 1.0 0.0 3.92 586 510 A 27 TYR HE% A 26 PRO HGx 1.0 0.0 3.92 587 511 A 28 GLY HAy A 29 ILE HG1y 1.0 0.0 5.34 588 511 A 28 GLY HAy A 29 ILE HG1x 1.0 0.0 5.34 589 512 A 29 ILE H A 29 ILE HG1y 1.0 0.0 3.58 590 512 A 29 ILE H A 29 ILE HG1x 1.0 0.0 3.58 591 513 A 30 CYS H A 29 ILE HG1y 1.0 0.0 5.03 592 513 A 30 CYS H A 29 ILE HG1x 1.0 0.0 5.03 593 514 A 31 TYR HD% A 29 ILE HG1y 1.0 0.0 5.34 594 514 A 31 TYR HD% A 29 ILE HG1x 1.0 0.0 5.34 595 515 A 32 ILE H A 32 ILE HG1y 1.0 0.0 4.56 596 515 A 32 ILE H A 32 ILE HG1x 1.0 0.0 4.56 597 516 A 32 ILE HA A 33 ILE HG1y 1.0 0.0 5.08 598 516 A 32 ILE HA A 33 ILE HG1x 1.0 0.0 5.08 599 517 A 33 ILE H A 33 ILE HG1y 1.0 0.0 3.44 600 517 A 33 ILE H A 33 ILE HG1x 1.0 0.0 3.44 stop_ save_