data_nef_c34295_6gwx save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6GWX 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 1 ACE C 1 2 PRO N 1 35 TYR C 1 36 NH2 N 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 0 ACE start . . 2 A 1 PRO middle -H false 3 A 2 PRO middle . false 4 A 3 LYS middle . . 5 A 4 LYS middle . . 6 A 5 PRO middle . false 7 A 6 LYS middle . . 8 A 7 LYS middle . . 9 A 8 PRO middle . false 10 A 9 GLY middle . false 11 A 10 ASP middle . . 12 A 11 ASN middle . . 13 A 12 ALA middle . . 14 A 13 THR middle . . 15 A 14 PRO middle . false 16 A 15 GLU middle . . 17 A 16 LYS middle . . 18 A 17 LEU middle . . 19 A 18 ALA middle . . 20 A 19 ALA middle . . 21 A 20 TYR middle . . 22 A 21 GLU middle . . 23 A 22 LYS middle . . 24 A 23 GLU middle . . 25 A 24 LEU middle . . 26 A 25 ALA middle . . 27 A 26 ALA middle . . 28 A 27 TYR middle . . 29 A 28 GLU middle . . 30 A 29 LYS middle . . 31 A 30 GLU middle . . 32 A 31 LEU middle . . 33 A 32 ALA middle . . 34 A 33 ALA middle . . 35 A 34 TYR middle -OXT . 36 A 35 NH2 end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 0 ACE H% H 1 2.096 0.006 A 0 ACE CH3 C 13 23.405 0.000 A 1 PRO HA H 1 3.532 0.021 A 1 PRO HB2 H 1 1.923 0.000 A 1 PRO HB3 H 1 1.923 0.000 A 1 PRO HGy H 1 1.922 0.001 A 1 PRO HGx H 1 1.866 0.005 A 1 PRO HDy H 1 3.566 0.006 A 1 PRO HDx H 1 3.522 0.020 A 1 PRO CA C 13 59.814 0.000 A 2 PRO HA H 1 4.413 0.009 A 2 PRO HBy H 1 2.338 0.033 A 2 PRO HBx H 1 1.981 0.012 A 2 PRO HGx H 1 1.686 0.004 A 2 PRO HGy H 1 1.742 0.011 A 2 PRO HDx H 1 3.138 0.011 A 2 PRO HDy H 1 3.219 0.014 A 2 PRO CA C 13 61.792 0.000 A 2 PRO CD C 13 48.893 0.006 A 3 LYS H H 1 8.736 0.006 A 3 LYS HA H 1 4.325 0.010 A 3 LYS HB2 H 1 1.684 0.000 A 3 LYS HB3 H 1 1.684 0.000 A 3 LYS HE2 H 1 2.994 0.000 A 3 LYS HE3 H 1 2.994 0.000 A 3 LYS N N 15 122.219 0.000 A 4 LYS H H 1 8.630 0.005 A 4 LYS HA H 1 3.146 0.011 A 4 LYS HBy H 1 1.494 0.000 A 4 LYS HBx H 1 1.250 0.022 A 4 LYS HG2 H 1 0.702 0.004 A 4 LYS HG3 H 1 0.702 0.004 A 4 LYS HD2 H 1 1.566 0.000 A 4 LYS HD3 H 1 1.566 0.000 A 4 LYS HEy H 1 2.985 0.000 A 4 LYS HEx H 1 2.981 0.004 A 4 LYS CA C 13 53.919 0.000 A 4 LYS N N 15 128.845 0.000 A 5 PRO HA H 1 4.404 0.008 A 5 PRO HBy H 1 2.405 0.006 A 5 PRO HBx H 1 1.925 0.010 A 5 PRO HGx H 1 1.667 0.010 A 5 PRO HGy H 1 1.718 0.000 A 5 PRO HDy H 1 3.449 0.005 A 5 PRO HDx H 1 3.028 0.006 A 5 PRO CA C 13 61.771 0.000 A 6 LYS H H 1 8.727 0.006 A 6 LYS HA H 1 4.185 0.009 A 6 LYS HB2 H 1 1.682 0.007 A 6 LYS HB3 H 1 1.682 0.007 A 6 LYS HG2 H 1 1.356 0.000 A 6 LYS HG3 H 1 1.356 0.000 A 6 LYS HDx H 1 1.421 0.001 A 6 LYS HDy H 1 1.422 0.000 A 6 LYS HE2 H 1 2.997 0.002 A 6 LYS HE3 H 1 2.997 0.002 A 6 LYS N N 15 123.851 0.000 A 7 LYS H H 1 8.549 0.003 A 7 LYS HA H 1 3.518 0.004 A 7 LYS HBx H 1 1.531 0.021 A 7 LYS HBy H 1 1.570 0.005 A 7 LYS HGx H 1 1.041 0.004 A 7 LYS HGy H 1 1.363 0.005 A 7 LYS HD2 H 1 1.578 0.000 A 7 LYS HD3 H 1 1.578 0.000 A 7 LYS HEx H 1 2.950 0.007 A 7 LYS HEy H 1 2.955 0.003 A 7 LYS CA C 13 54.214 0.000 A 7 LYS N N 15 127.980 0.000 A 8 PRO HA H 1 4.331 0.005 A 8 PRO HBy H 1 1.755 0.011 A 8 PRO HBx H 1 1.672 0.010 A 8 PRO HG2 H 1 2.168 0.009 A 8 PRO HDx H 1 2.799 0.010 A 8 PRO HDy H 1 2.969 0.010 A 8 PRO CA C 13 62.146 0.000 A 8 PRO CD C 13 49.705 0.000 A 9 GLY H H 1 8.354 0.002 A 9 GLY HAx H 1 3.871 0.009 A 9 GLY HAy H 1 4.038 0.009 A 9 GLY CA C 13 43.710 0.003 A 9 GLY N N 15 108.328 0.000 A 10 ASP H H 1 8.522 0.003 A 10 ASP HA H 1 4.329 0.009 A 10 ASP HBy H 1 2.652 0.011 A 10 ASP HBx H 1 2.537 0.010 A 10 ASP CB C 13 40.024 0.004 A 10 ASP N N 15 119.162 0.000 A 11 ASN H H 1 8.638 0.007 A 11 ASN HA H 1 4.667 0.004 A 11 ASN HBx H 1 2.864 0.008 A 11 ASN HBy H 1 2.867 0.006 A 11 ASN HD21 H 1 7.720 0.002 A 11 ASN HD22 H 1 7.020 0.002 A 11 ASN CA C 13 52.135 0.000 A 11 ASN CB C 13 36.985 0.000 A 11 ASN N N 15 116.249 0.000 A 11 ASN ND2 N 15 113.664 0.005 A 12 ALA H H 1 7.449 0.009 A 12 ALA HA H 1 4.290 0.007 A 12 ALA HB% H 1 1.420 0.038 A 12 ALA CA C 13 52.044 0.000 A 12 ALA CB C 13 21.949 0.000 A 12 ALA N N 15 122.598 0.000 A 13 THR H H 1 7.790 0.006 A 13 THR HA H 1 4.576 0.008 A 13 THR HB H 1 4.837 0.004 A 13 THR HG1 H 1 5.767 0.000 A 13 THR HG2% H 1 1.450 0.005 A 13 THR CA C 13 59.206 0.000 A 13 THR CB C 13 67.815 0.000 A 13 THR N N 15 111.964 0.000 A 14 PRO HA H 1 4.259 0.012 A 14 PRO HBx H 1 1.968 0.006 A 14 PRO HBy H 1 2.095 0.005 A 14 PRO HGx H 1 2.262 0.009 A 14 PRO HGy H 1 2.430 0.008 A 14 PRO HDx H 1 3.944 0.026 A 14 PRO HDy H 1 3.959 0.022 A 14 PRO CA C 13 65.179 0.000 A 14 PRO CD C 13 49.792 0.000 A 15 GLU H H 1 9.082 0.005 A 15 GLU HA H 1 4.153 0.011 A 15 GLU HBy H 1 2.131 0.010 A 15 GLU HBx H 1 1.978 0.013 A 15 GLU HGy H 1 2.436 0.011 A 15 GLU HGx H 1 2.333 0.010 A 15 GLU N N 15 118.003 0.000 A 16 LYS H H 1 7.901 0.005 A 16 LYS HA H 1 4.243 0.008 A 16 LYS HBy H 1 2.086 0.006 A 16 LYS HBx H 1 1.875 0.008 A 16 LYS HGy H 1 1.550 0.000 A 16 LYS HGx H 1 1.391 0.000 A 16 LYS HE2 H 1 3.020 0.000 A 16 LYS HE3 H 1 3.020 0.000 A 16 LYS CA C 13 58.053 0.000 A 16 LYS N N 15 122.960 0.000 A 17 LEU H H 1 8.407 0.003 A 17 LEU HA H 1 4.150 0.007 A 17 LEU HBx H 1 1.657 0.037 A 17 LEU HBy H 1 1.861 0.011 A 17 LEU HDx% H 1 0.847 0.000 A 17 LEU HDy% H 1 0.884 0.000 A 17 LEU N N 15 122.152 0.000 A 18 ALA H H 1 8.367 0.005 A 18 ALA HA H 1 4.271 0.000 A 18 ALA HB% H 1 1.513 0.008 A 18 ALA N N 15 122.215 0.000 A 19 ALA H H 1 7.963 0.003 A 19 ALA HA H 1 4.227 0.008 A 19 ALA HB% H 1 1.599 0.007 A 19 ALA N N 15 121.794 0.000 A 20 TYR H H 1 8.075 0.003 A 20 TYR HA H 1 4.482 0.005 A 20 TYR HBx H 1 3.189 0.008 A 20 TYR HBy H 1 3.246 0.007 A 20 TYR HD1 H 1 7.151 0.029 A 20 TYR HD2 H 1 7.151 0.029 A 20 TYR HE1 H 1 6.572 0.009 A 20 TYR HE2 H 1 6.572 0.009 A 20 TYR CA C 13 60.208 0.000 A 20 TYR N N 15 120.415 0.000 A 21 GLU H H 1 8.249 0.005 A 21 GLU HA H 1 3.661 0.007 A 21 GLU HBx H 1 2.113 0.002 A 21 GLU HBy H 1 2.154 0.001 A 21 GLU HGy H 1 2.554 0.004 A 21 GLU HGx H 1 2.394 0.004 A 21 GLU CA C 13 59.098 0.049 A 21 GLU N N 15 118.620 0.000 A 22 LYS H H 1 7.631 0.012 A 22 LYS HA H 1 4.145 0.015 A 22 LYS HBx H 1 1.999 0.009 A 22 LYS HBy H 1 2.001 0.006 A 22 LYS HG2 H 1 1.639 0.009 A 22 LYS HG3 H 1 1.639 0.009 A 22 LYS HD2 H 1 1.459 0.000 A 22 LYS HD3 H 1 1.459 0.000 A 22 LYS HE2 H 1 3.007 0.000 A 22 LYS HE3 H 1 3.007 0.000 A 22 LYS N N 15 119.856 0.000 A 23 GLU H H 1 8.370 0.005 A 23 GLU HA H 1 4.084 0.003 A 23 GLU HBx H 1 1.986 0.006 A 23 GLU HBy H 1 2.230 0.008 A 23 GLU HGy H 1 2.558 0.004 A 23 GLU HGx H 1 2.225 0.001 A 23 GLU N N 15 122.454 0.000 A 24 LEU H H 1 9.226 0.001 A 24 LEU HA H 1 3.943 0.006 A 24 LEU HBx H 1 1.463 0.008 A 24 LEU HBy H 1 1.571 0.001 A 24 LEU HDx% H 1 0.860 0.005 A 24 LEU HDy% H 1 0.902 0.003 A 24 LEU CA C 13 57.346 0.000 A 24 LEU N N 15 123.915 0.000 A 25 ALA H H 1 7.749 0.004 A 25 ALA HA H 1 4.228 0.002 A 25 ALA HB% H 1 1.513 0.012 A 25 ALA N N 15 121.208 0.000 A 26 ALA H H 1 7.798 0.006 A 26 ALA HA H 1 4.205 0.004 A 26 ALA HB% H 1 1.560 0.008 A 26 ALA N N 15 121.301 0.000 A 27 TYR H H 1 8.300 0.004 A 27 TYR HA H 1 4.370 0.007 A 27 TYR HBx H 1 3.240 0.007 A 27 TYR HBy H 1 3.341 0.005 A 27 TYR HD1 H 1 7.064 0.007 A 27 TYR HD2 H 1 7.064 0.007 A 27 TYR HE1 H 1 6.655 0.006 A 27 TYR HE2 H 1 6.655 0.006 A 27 TYR CA C 13 60.172 0.000 A 27 TYR CB C 13 37.257 0.005 A 27 TYR CD1 C 13 133.127 0.000 A 27 TYR CD2 C 13 133.127 0.000 A 27 TYR CE1 C 13 117.367 0.000 A 27 TYR CE2 C 13 117.367 0.000 A 27 TYR N N 15 121.950 0.000 A 28 GLU H H 1 8.647 0.002 A 28 GLU HA H 1 3.587 0.009 A 28 GLU HBx H 1 2.014 0.004 A 28 GLU HBy H 1 2.103 0.000 A 28 GLU HGx H 1 2.384 0.006 A 28 GLU HGy H 1 2.621 0.001 A 28 GLU N N 15 119.047 0.000 A 29 LYS H H 1 7.647 0.009 A 29 LYS HA H 1 4.096 0.010 A 29 LYS HB2 H 1 1.961 0.009 A 29 LYS HB3 H 1 1.961 0.009 A 29 LYS HGx H 1 1.600 0.002 A 29 LYS HGy H 1 1.602 0.001 A 29 LYS HD2 H 1 1.423 0.000 A 29 LYS HD3 H 1 1.423 0.000 A 29 LYS HE2 H 1 2.993 0.000 A 29 LYS HE3 H 1 2.993 0.000 A 29 LYS N N 15 120.252 0.000 A 30 GLU H H 1 8.243 0.003 A 30 GLU HA H 1 4.062 0.007 A 30 GLU HBx H 1 1.958 0.000 A 30 GLU HBy H 1 1.992 0.005 A 30 GLU HGx H 1 2.119 0.001 A 30 GLU HGy H 1 2.238 0.003 A 30 GLU N N 15 121.939 0.000 A 31 LEU H H 1 8.996 0.004 A 31 LEU HA H 1 3.835 0.008 A 31 LEU HBy H 1 1.516 0.008 A 31 LEU HBx H 1 1.389 0.008 A 31 LEU HDx% H 1 0.830 0.009 A 31 LEU HDy% H 1 0.919 0.010 A 31 LEU CA C 13 57.033 0.000 A 31 LEU N N 15 122.212 0.000 A 32 ALA H H 1 7.671 0.003 A 32 ALA HA H 1 4.117 0.005 A 32 ALA HB% H 1 1.469 0.000 A 32 ALA CA C 13 53.881 0.000 A 32 ALA N N 15 121.118 0.000 A 33 ALA H H 1 7.475 0.006 A 33 ALA HA H 1 4.206 0.010 A 33 ALA HB% H 1 1.461 0.007 A 33 ALA N N 15 119.237 0.000 A 34 TYR H H 1 7.922 0.004 A 34 TYR HA H 1 4.162 0.008 A 34 TYR HBy H 1 3.189 0.005 A 34 TYR HBx H 1 3.063 0.009 A 34 TYR HD1 H 1 7.180 0.008 A 34 TYR HD2 H 1 7.180 0.008 A 34 TYR HE1 H 1 6.779 0.006 A 34 TYR HE2 H 1 6.779 0.006 A 34 TYR CB C 13 38.423 0.000 A 34 TYR CD1 C 13 132.685 0.000 A 34 TYR CD2 C 13 132.685 0.000 A 34 TYR CE1 C 13 117.507 0.000 A 34 TYR CE2 C 13 117.507 0.000 A 34 TYR N N 15 120.697 0.000 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin 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 6 LYS H A 5 PRO HA 1.0 1.504 2.5120 2 2 A 11 ASN HD21 A 11 ASN HD22 1.0 1.363 2.1210 3 3 A 11 ASN HD21 A 11 ASN HBy 1.0 1.747 3.4050 4 4 A 11 ASN HD22 A 11 ASN HBy 1.0 2.689 4.7010 5 5 A 12 ALA H A 12 ALA HB% 1.0 2.181 3.1410 6 6 A 13 THR H A 13 THR HG2% 1.0 1.884 2.8500 7 7 A 28 GLU H A 27 TYR HD2 1.0 1.863 4.0470 8 7 A 28 GLU H A 27 TYR HD1 1.0 1.863 4.0470 9 8 A 32 ALA H A 33 ALA H 1.0 1.753 3.4370 10 9 A 6 LYS H A 6 LYS HB3 1.0 1.608 2.8500 11 10 A 6 LYS H A 6 LYS HG3 1.0 2.235 4.3210 12 11 A 33 ALA H A 33 ALA HB% 1.0 1.466 2.3980 13 12 A 27 TYR H A 26 ALA HB% 1.0 2.144 2.8820 14 13 A 21 GLU H A 21 GLU HBy 1.0 1.735 3.3510 15 14 A 21 GLU H A 21 GLU HBx 1.0 2.228 4.2580 16 15 A 30 GLU H A 30 GLU HBx 1.0 1.724 3.3040 17 16 A 30 GLU H A 30 GLU HBy 1.0 1.994 4.1640 18 17 A 34 TYR H A 33 ALA HA 1.0 2.103 4.1290 19 18 A 32 ALA H A 32 ALA HA 1.0 1.722 3.2940 20 19 A 34 TYR HBy A 34 TYR HD1 1.0 1.640 2.9680 21 19 A 34 TYR HD2 A 34 TYR HBy 1.0 1.640 2.9680 22 20 A 24 LEU HDx% A 27 TYR HE1 1.0 2.644 3.9780 23 20 A 27 TYR HE2 A 24 LEU HDx% 1.0 2.644 3.9780 24 21 A 29 LYS H A 29 LYS HA 1.0 1.766 3.4960 25 22 A 27 TYR H A 26 ALA HA 1.0 2.106 4.1580 26 23 A 17 LEU H A 16 LYS HA 1.0 1.849 3.9530 27 24 A 34 TYR H A 31 LEU HDx% 1.0 3.080 5.1160 28 25 A 16 LYS H A 15 GLU HBx 1.0 2.974 5.1160 29 26 A 11 ASN HBy A 11 ASN HA 1.0 1.902 3.1280 30 27 A 4 LYS HA A 5 PRO HDy 1.0 1.918 4.4680 31 28 A 14 PRO HDx A 13 THR HB 1.0 1.738 3.3700 32 29 A 14 PRO HDy A 14 PRO HGx 1.0 1.875 4.1250 33 30 A 14 PRO HDx A 14 PRO HGx 1.0 1.774 3.5380 34 31 A 14 PRO HDx A 14 PRO HGy 1.0 1.998 5.7600 35 32 A 22 LYS H A 22 LYS HBy 1.0 1.750 3.4240 36 33 A 22 LYS HBy A 22 LYS HA 1.0 1.549 2.6530 37 34 A 8 PRO HG2 A 8 PRO HA 1.0 2.034 3.6500 38 35 A 8 PRO HA A 8 PRO HBx 1.0 1.781 3.5690 39 36 A 34 TYR HD1 A 34 TYR HE2 1.0 2.117 2.9630 40 36 A 34 TYR HD2 A 34 TYR HE2 1.0 2.117 2.9630 41 36 A 34 TYR HD1 A 34 TYR HE1 1.0 2.117 2.9630 42 36 A 34 TYR HD2 A 34 TYR HE1 1.0 2.117 2.9630 43 37 A 27 TYR HD2 A 27 TYR HE1 1.0 2.074 3.0220 44 37 A 27 TYR HD2 A 27 TYR HE2 1.0 2.074 3.0220 45 37 A 27 TYR HD1 A 27 TYR HE2 1.0 2.074 3.0220 46 37 A 27 TYR HD1 A 27 TYR HE1 1.0 2.074 3.0220 47 38 A 28 GLU H A 27 TYR HBx 1.0 2.899 4.9290 48 39 A 2 PRO HDy A 1 PRO HA 1.0 1.668 3.0720 49 40 A 24 LEU HA A 24 LEU HDy% 1.0 1.868 4.0760 50 41 A 24 LEU HA A 24 LEU HBx 1.0 1.792 3.6300 51 42 A 28 GLU H A 30 GLU H 1.0 2.997 5.3030 52 43 A 1 PRO HDx A 1 PRO HGy 1.0 1.786 3.5980 53 44 A 1 PRO HA A 1 PRO HGy 1.0 2.229 3.9350 54 45 A 1 PRO HDy A 1 PRO HGx 1.0 1.812 3.7320 55 46 A 1 PRO HDy A 1 PRO HGy 1.0 1.817 3.7630 56 47 A 8 PRO HDy A 7 LYS HBy 1.0 2.996 6.3340 57 48 A 2 PRO HA A 3 LYS H 1.0 1.899 2.6970 58 49 A 23 GLU H A 23 GLU HBx 1.0 1.935 4.6190 59 50 A 16 LYS H A 15 GLU HA 1.0 1.932 4.5880 60 51 A 22 LYS H A 22 LYS HA 1.0 1.699 3.1950 61 52 A 5 PRO HA A 5 PRO HGx 1.0 1.902 4.3240 62 52 A 5 PRO HA A 5 PRO HGy 1.0 1.902 4.3240 63 53 A 29 LYS H A 29 LYS HGx 1.0 2.899 4.9230 64 54 A 21 GLU HBy A 22 LYS H 1.0 1.865 4.0530 65 55 A 22 LYS H A 19 ALA HA 1.0 1.900 4.3100 66 56 A 30 GLU H A 29 LYS H 1.0 1.735 3.3570 67 57 A 28 GLU HGy A 28 GLU HBy 1.0 1.862 4.0340 68 58 A 26 ALA H A 25 ALA H 1.0 1.769 3.5090 69 59 A 21 GLU H A 22 LYS H 1.0 1.803 3.6870 70 60 A 7 LYS HGy A 7 LYS HEy 1.0 2.493 4.2350 71 61 A 7 LYS HEy A 7 LYS HGx 1.0 2.581 4.6410 72 62 A 7 LYS HGy A 7 LYS HGx 1.0 1.581 2.7590 73 63 A 33 ALA HB% A 30 GLU HA 1.0 2.202 3.4260 74 64 A 30 GLU HBx A 30 GLU HA 1.0 1.912 4.4120 75 65 A 2 PRO HDy A 2 PRO HGx 1.0 1.806 3.7060 76 66 A 8 PRO HA A 9 GLY HAy 1.0 3.391 5.1470 77 67 A 8 PRO HA A 9 GLY HAx 1.0 2.998 4.7600 78 68 A 24 LEU HDx% A 27 TYR HBy 1.0 1.875 4.1290 79 69 A 4 LYS HA A 4 LYS HBx 1.0 2.235 4.3190 80 70 A 17 LEU HA A 17 LEU HDy% 1.0 1.979 3.7630 81 71 A 23 GLU HBx A 23 GLU HA 1.0 1.671 3.0850 82 72 A 23 GLU HA A 23 GLU HBy 1.0 1.837 3.8830 83 73 A 4 LYS HA A 4 LYS HBy 1.0 1.837 3.8790 84 74 A 24 LEU HA A 24 LEU HBy 1.0 2.590 4.0520 85 75 A 20 TYR HD1 A 20 TYR HE1 1.0 1.690 3.1580 86 75 A 20 TYR HD2 A 20 TYR HE1 1.0 1.690 3.1580 87 75 A 20 TYR HE2 A 20 TYR HD2 1.0 1.690 3.1580 88 75 A 20 TYR HE2 A 20 TYR HD1 1.0 1.690 3.1580 89 76 A 22 LYS HA A 25 ALA HB% 1.0 2.378 3.3360 90 77 A 7 LYS HBy A 7 LYS HA 1.0 1.848 3.9500 91 77 A 7 LYS HA A 7 LYS HBx 1.0 1.848 3.9500 92 78 A 6 LYS HA A 6 LYS HB2 1.0 1.854 3.2180 93 78 A 6 LYS HB3 A 6 LYS HA 1.0 1.854 3.2180 94 79 A 16 LYS HBx A 16 LYS HGy 1.0 1.764 3.4880 95 80 A 17 LEU HBy A 17 LEU HDx% 1.0 1.849 3.9490 96 81 A 30 GLU HA A 30 GLU HGy 1.0 1.867 4.0670 97 82 A 12 ALA H A 10 ASP HA 1.0 2.289 5.7150 98 83 A 2 PRO HDy A 1 PRO HB2 1.0 2.000 5.8460 99 83 A 2 PRO HDy A 1 PRO HB3 1.0 2.000 5.8460 100 84 A 24 LEU H A 21 GLU HA 1.0 1.896 4.2780 101 85 A 27 TYR H A 27 TYR HBy 1.0 1.674 3.0960 102 86 A 25 ALA H A 24 LEU H 1.0 1.758 3.4620 103 87 A 16 LYS H A 15 GLU H 1.0 1.733 3.3410 104 88 A 32 ALA H A 31 LEU H 1.0 1.796 3.6480 105 89 A 30 GLU H A 31 LEU H 1.0 1.751 3.4290 106 90 A 23 GLU H A 24 LEU H 1.0 1.701 3.2050 107 91 A 28 GLU H A 27 TYR H 1.0 1.767 3.5010 108 92 A 28 GLU H A 29 LYS H 1.0 1.740 3.3720 109 93 A 12 ALA H A 11 ASN H 1.0 1.892 4.2480 110 94 A 27 TYR HE1 A 4 LYS H 1.0 2.559 5.4870 111 94 A 27 TYR HE2 A 4 LYS H 1.0 2.559 5.4870 112 95 A 22 LYS H A 23 GLU H 1.0 1.707 3.2290 113 96 A 33 ALA H A 34 TYR H 1.0 1.722 3.2960 114 97 A 18 ALA H A 19 ALA H 1.0 1.682 3.1300 115 98 A 27 TYR H A 26 ALA H 1.0 1.727 3.3190 116 99 A 18 ALA H A 20 TYR H 1.0 2.361 5.3230 117 100 A 28 GLU H A 26 ALA H 1.0 1.985 5.3310 118 101 A 22 LYS H A 24 LEU H 1.0 1.980 5.2240 119 102 A 34 TYR H A 34 TYR HD1 1.0 1.943 4.7130 120 102 A 34 TYR H A 34 TYR HD2 1.0 1.943 4.7130 121 103 A 27 TYR HD2 A 3 LYS H 1.0 2.589 4.8010 122 103 A 27 TYR HD1 A 3 LYS H 1.0 2.589 4.8010 123 104 A 16 LYS H A 13 THR HB 1.0 2.693 4.8090 124 105 A 13 THR H A 13 THR HB 1.0 2.354 4.4360 125 106 A 20 TYR H A 20 TYR HA 1.0 1.786 3.6000 126 107 A 13 THR H A 13 THR HA 1.0 1.751 3.4270 127 108 A 12 ALA H A 11 ASN HA 1.0 1.785 3.5930 128 109 A 11 ASN HA A 11 ASN H 1.0 1.814 3.7500 129 110 A 4 LYS H A 3 LYS HA 1.0 2.333 3.4010 130 111 A 3 LYS H A 3 LYS HA 1.0 1.886 4.2080 131 112 A 28 GLU H A 25 ALA HA 1.0 1.896 4.2780 132 113 A 6 LYS HA A 7 LYS H 1.0 1.531 2.5950 133 114 A 15 GLU H A 14 PRO HA 1.0 1.949 4.7770 134 115 A 15 GLU HA A 15 GLU H 1.0 1.738 3.3680 135 116 A 24 LEU HA A 24 LEU H 1.0 1.774 3.5360 136 117 A 14 PRO HDx A 15 GLU H 1.0 1.868 4.0800 137 118 A 31 LEU H A 31 LEU HA 1.0 1.813 3.7410 138 119 A 13 THR HB A 15 GLU H 1.0 1.776 3.5460 139 120 A 15 GLU H A 13 THR HA 1.0 1.982 5.2500 140 121 A 24 LEU H A 20 TYR HA 1.0 1.979 5.1970 141 122 A 28 GLU H A 28 GLU HA 1.0 1.766 3.4980 142 123 A 7 LYS HA A 7 LYS H 1.0 1.813 3.7370 143 124 A 28 GLU H A 27 TYR HBy 1.0 1.816 3.7580 144 125 A 11 ASN H A 11 ASN HBx 1.0 2.320 4.0800 145 125 A 11 ASN HBy A 11 ASN H 1.0 2.320 4.0800 146 126 A 23 GLU H A 23 GLU HA 1.0 1.742 3.3820 147 127 A 30 GLU H A 30 GLU HA 1.0 1.768 3.5100 148 128 A 9 GLY HAy A 10 ASP H 1.0 1.820 3.7780 149 129 A 28 GLU H A 24 LEU HA 1.0 1.981 5.2370 150 130 A 27 TYR H A 24 LEU HA 1.0 1.905 4.3530 151 131 A 9 GLY HAx A 9 GLY H 1.0 1.766 3.4960 152 132 A 21 GLU H A 21 GLU HA 1.0 1.764 3.4900 153 133 A 27 TYR H A 27 TYR HBx 1.0 1.844 3.9240 154 134 A 21 GLU H A 20 TYR HBx 1.0 1.807 3.7050 155 135 A 20 TYR H A 20 TYR HBy 1.0 1.756 3.4500 156 136 A 20 TYR H A 20 TYR HBx 1.0 1.714 3.2640 157 137 A 34 TYR H A 34 TYR HBx 1.0 1.755 3.4450 158 138 A 24 LEU HA A 25 ALA H 1.0 1.956 4.8680 159 139 A 34 TYR H A 31 LEU HA 1.0 1.903 4.3350 160 140 A 32 ALA H A 31 LEU HA 1.0 1.949 4.7750 161 141 A 25 ALA H A 21 GLU HA 1.0 1.999 5.7710 162 142 A 27 TYR H A 27 TYR HA 1.0 1.778 3.5560 163 143 A 8 PRO HA A 9 GLY H 1.0 1.601 2.8270 164 144 A 19 ALA HA A 19 ALA H 1.0 1.669 3.0770 165 145 A 25 ALA H A 25 ALA HA 1.0 1.750 3.4200 166 146 A 13 THR H A 12 ALA HA 1.0 1.536 2.6120 167 147 A 12 ALA H A 12 ALA HA 1.0 1.759 3.4630 168 148 A 12 ALA H A 11 ASN HBx 1.0 3.067 5.1030 169 148 A 11 ASN HBy A 12 ALA H 1.0 3.067 5.1030 170 149 A 15 GLU H A 15 GLU HGy 1.0 1.999 5.8190 171 150 A 14 PRO HGx A 15 GLU H 1.0 2.797 4.8970 172 151 A 23 GLU HBy A 24 LEU H 1.0 1.860 4.0260 173 152 A 15 GLU HBx A 15 GLU H 1.0 1.848 3.9420 174 153 A 31 LEU H A 30 GLU HGx 1.0 1.986 5.3500 175 154 A 30 GLU HBx A 31 LEU H 1.0 1.929 4.5650 176 155 A 15 GLU H A 15 GLU HBy 1.0 1.714 3.2580 177 156 A 21 GLU H A 21 GLU HGy 1.0 1.957 4.8750 178 157 A 10 ASP H A 10 ASP HBx 1.0 1.837 3.8810 179 158 A 28 GLU H A 28 GLU HGx 1.0 1.949 4.7710 180 159 A 24 LEU HBx A 24 LEU H 1.0 1.725 3.3070 181 160 A 31 LEU H A 31 LEU HDy% 1.0 1.888 4.2200 182 161 A 6 LYS HB2 A 7 LYS H 1.0 2.117 4.2490 183 161 A 6 LYS HB3 A 7 LYS H 1.0 2.117 4.2490 184 162 A 7 LYS HBy A 7 LYS H 1.0 1.766 3.4980 185 162 A 7 LYS HBx A 7 LYS H 1.0 1.766 3.4980 186 163 A 7 LYS HBx A 7 LYS H 1.0 1.755 3.4470 187 164 A 4 LYS HBx A 4 LYS H 1.0 1.766 3.4980 188 165 A 28 GLU H A 28 GLU HBy 1.0 1.742 3.3860 189 166 A 28 GLU H A 28 GLU HBx 1.0 1.936 4.6340 190 167 A 3 LYS H A 2 PRO HBx 1.0 1.920 4.4760 191 168 A 23 GLU H A 23 GLU HBy 1.0 1.736 3.3600 192 169 A 30 GLU H A 30 GLU HGx 1.0 1.999 4.0970 193 170 A 17 LEU H A 17 LEU HBy 1.0 1.667 3.0690 194 171 A 17 LEU H A 17 LEU HBx 1.0 1.884 4.1860 195 172 A 7 LYS HGy A 7 LYS H 1.0 3.500 5.6240 196 173 A 16 LYS H A 16 LYS HGy 1.0 1.951 4.7970 197 174 A 20 TYR HD1 A 17 LEU HDx% 1.0 2.117 4.0630 198 174 A 20 TYR HD2 A 17 LEU HDx% 1.0 2.117 4.0630 199 175 A 16 LYS H A 16 LYS HBy 1.0 1.683 3.1330 200 176 A 13 THR H A 16 LYS HBy 1.0 1.785 3.5910 201 177 A 13 THR H A 16 LYS HBx 1.0 1.888 4.2160 202 178 A 22 LYS H A 22 LYS HBx 1.0 1.635 2.9470 203 178 A 22 LYS H A 22 LYS HBy 1.0 1.635 2.9470 204 179 A 29 LYS H A 29 LYS HB2 1.0 1.640 2.9640 205 179 A 29 LYS H A 29 LYS HB3 1.0 1.640 2.9640 206 180 A 10 ASP H A 10 ASP HBy 1.0 1.907 4.3710 207 181 A 21 GLU H A 20 TYR HBy 1.0 2.476 5.1560 208 182 A 10 ASP HA A 11 ASN H 1.0 2.295 3.4730 209 183 A 10 ASP HA A 10 ASP H 1.0 1.854 3.9840 210 184 A 9 GLY HAx A 10 ASP H 1.0 1.884 4.1900 211 185 A 23 GLU H A 20 TYR HA 1.0 1.887 4.2150 212 186 A 9 GLY HAy A 9 GLY H 1.0 1.797 3.6550 213 187 A 30 GLU H A 30 GLU HGy 1.0 2.900 5.0200 214 188 A 13 THR HB A 14 PRO HDy 1.0 1.808 3.7100 215 189 A 14 PRO HDx A 13 THR HA 1.0 1.687 3.1470 216 190 A 13 THR HB A 13 THR HA 1.0 1.654 3.0180 217 191 A 17 LEU HA A 20 TYR HBy 1.0 1.879 4.1550 218 192 A 27 TYR HBx A 24 LEU HA 1.0 1.947 4.7570 219 193 A 34 TYR HBy A 31 LEU HA 1.0 1.842 3.9060 220 194 A 15 GLU HA A 15 GLU HGx 1.0 1.838 3.8820 221 195 A 30 GLU HA A 30 GLU HGx 1.0 1.835 3.8650 222 196 A 10 ASP HA A 10 ASP HBx 1.0 1.816 3.7540 223 197 A 7 LYS HA A 8 PRO HDx 1.0 1.608 2.8480 224 198 A 8 PRO HDy A 7 LYS HA 1.0 1.697 3.1890 225 199 A 24 LEU HA A 27 TYR HBy 1.0 1.729 3.3270 226 200 A 31 LEU HA A 34 TYR HBx 1.0 1.869 4.0890 227 201 A 27 TYR HBx A 27 TYR HA 1.0 1.646 2.9860 228 202 A 20 TYR HA A 20 TYR HBx 1.0 1.829 3.8330 229 203 A 27 TYR HBy A 27 TYR HA 1.0 1.880 4.1620 230 204 A 8 PRO HDy A 8 PRO HDx 1.0 1.553 2.6650 231 205 A 28 GLU HGy A 28 GLU HA 1.0 1.952 4.7980 232 206 A 21 GLU HA A 21 GLU HGx 1.0 1.880 4.1640 233 207 A 21 GLU HBy A 21 GLU HA 1.0 1.862 4.0320 234 208 A 21 GLU HBx A 21 GLU HA 1.0 1.715 3.2630 235 209 A 28 GLU HA A 28 GLU HBx 1.0 1.747 3.4070 236 210 A 5 PRO HA A 5 PRO HBx 1.0 1.621 2.8970 237 211 A 2 PRO HA A 2 PRO HBy 1.0 1.688 3.1520 238 212 A 10 ASP HA A 10 ASP HBy 1.0 1.663 3.0530 239 213 A 19 ALA HA A 22 LYS HBx 1.0 2.025 3.6070 240 213 A 22 LYS HBy A 19 ALA HA 1.0 2.025 3.6070 241 214 A 8 PRO HA A 8 PRO HBy 1.0 1.703 3.2130 242 215 A 16 LYS HA A 16 LYS HBx 1.0 1.660 3.0420 243 216 A 17 LEU HA A 17 LEU HBy 1.0 1.843 3.9170 244 217 A 24 LEU HBx A 21 GLU HA 1.0 1.802 3.6800 245 218 A 28 GLU HA A 31 LEU HBy 1.0 1.805 3.6950 246 219 A 31 LEU HDx% A 28 GLU HA 1.0 1.936 4.6340 247 220 A 7 LYS HGx A 7 LYS HA 1.0 1.905 4.3450 248 221 A 7 LYS HGy A 7 LYS HA 1.0 1.867 4.0730 249 222 A 21 GLU HGy A 21 GLU HGx 1.0 1.427 2.2930 250 223 A 15 GLU HGy A 15 GLU HBy 1.0 1.704 3.2180 251 224 A 15 GLU HBx A 15 GLU HBy 1.0 1.374 2.1480 252 225 A 5 PRO HBx A 5 PRO HBy 1.0 1.520 2.5620 253 226 A 15 GLU HGy A 15 GLU HGx 1.0 1.312 1.9960 254 227 A 28 GLU HGy A 28 GLU HGx 1.0 1.506 2.5160 255 228 A 4 LYS HBy A 4 LYS HG2 1.0 1.668 3.0720 256 228 A 4 LYS HBy A 4 LYS HG3 1.0 1.668 3.0720 257 229 A 16 LYS HGy A 8 PRO HBy 1.0 2.885 3.8930 258 230 A 1 PRO HA A 1 PRO HB2 1.0 1.729 3.3270 259 230 A 1 PRO HA A 1 PRO HB3 1.0 1.729 3.3270 260 231 A 14 PRO HGy A 14 PRO HA 1.0 1.658 3.0340 261 232 A 15 GLU HA A 15 GLU HGy 1.0 1.965 3.6930 262 233 A 23 GLU HA A 23 GLU HGy 1.0 1.902 4.3240 263 234 A 14 PRO HDy A 14 PRO HGx 1.0 1.773 3.5310 264 234 A 14 PRO HDx A 14 PRO HGx 1.0 1.773 3.5310 265 235 A 14 PRO HDx A 14 PRO HBx 1.0 1.828 3.8260 266 236 A 1 PRO HDx A 1 PRO HGx 1.0 1.907 4.3630 267 237 A 2 PRO HGx A 2 PRO HDx 1.0 1.884 4.1880 268 238 A 6 LYS H A 6 LYS HDx 1.0 1.958 4.8780 269 238 A 6 LYS H A 6 LYS HDy 1.0 1.958 4.8780 270 239 A 22 LYS H A 22 LYS HG2 1.0 1.978 5.1880 271 239 A 22 LYS H A 22 LYS HG3 1.0 1.978 5.1880 272 240 A 14 PRO HGx A 14 PRO HA 1.0 1.970 5.0540 273 241 A 5 PRO HA A 5 PRO HBy 1.0 1.833 3.8550 274 242 A 21 GLU H A 18 ALA HA 1.0 1.873 4.1150 275 243 A 9 GLY H A 8 PRO HBy 1.0 2.969 5.0330 276 244 A 8 PRO HDy A 7 LYS HGy 1.0 1.902 4.3240 277 245 A 1 PRO HA A 2 PRO HGx 1.0 1.975 5.1330 278 246 A 27 TYR HD2 A 27 TYR H 1.0 1.927 4.5490 279 246 A 27 TYR HD1 A 27 TYR H 1.0 1.927 4.5490 280 247 A 20 TYR HD2 A 20 TYR H 1.0 1.928 4.5540 281 247 A 20 TYR HD1 A 20 TYR H 1.0 1.928 4.5540 282 248 A 26 ALA H A 24 LEU H 1.0 1.960 4.9020 283 249 A 17 LEU H A 16 LYS H 1.0 1.671 3.0830 284 250 A 21 GLU H A 20 TYR H 1.0 1.804 3.6900 285 251 A 19 ALA H A 20 TYR H 1.0 1.797 3.6550 286 252 A 21 GLU H A 20 TYR HD2 1.0 1.867 4.0690 287 252 A 21 GLU H A 20 TYR HD1 1.0 1.867 4.0690 288 253 A 27 TYR HE1 A 4 LYS H 1.0 1.925 4.5310 289 253 A 27 TYR HE2 A 4 LYS H 1.0 1.925 4.5310 290 254 A 6 LYS H A 6 LYS HA 1.0 1.838 3.8820 291 255 A 23 GLU HA A 24 LEU H 1.0 1.925 4.5310 292 256 A 30 GLU HA A 31 LEU H 1.0 1.950 4.7780 293 257 A 4 LYS HA A 4 LYS H 1.0 1.833 3.8510 294 258 A 28 GLU H A 28 GLU HGy 1.0 1.771 3.5210 295 259 A 31 LEU H A 28 GLU HA 1.0 1.940 4.6800 296 260 A 34 TYR H A 34 TYR HBy 1.0 1.711 3.2490 297 261 A 22 LYS H A 21 GLU HA 1.0 1.947 4.7450 298 262 A 29 LYS H A 28 GLU HA 1.0 1.919 4.4730 299 263 A 18 ALA H A 18 ALA HA 1.0 1.678 3.1140 300 264 A 17 LEU H A 17 LEU HA 1.0 1.747 3.4090 301 265 A 21 GLU H A 17 LEU HA 1.0 1.976 5.1500 302 266 A 19 ALA HA A 20 TYR H 1.0 1.910 4.3880 303 267 A 17 LEU HA A 20 TYR H 1.0 1.881 4.1670 304 268 A 16 LYS HA A 16 LYS H 1.0 1.724 3.3000 305 269 A 34 TYR H A 34 TYR HA 1.0 1.804 3.6900 306 270 A 26 ALA H A 23 GLU HA 1.0 1.875 4.1230 307 271 A 22 LYS HA A 25 ALA H 1.0 1.889 4.2210 308 272 A 33 ALA H A 33 ALA HA 1.0 1.753 3.4330 309 273 A 33 ALA H A 32 ALA HA 1.0 1.919 4.4710 310 274 A 33 ALA H A 30 GLU HA 1.0 1.894 4.2660 311 275 A 20 TYR HD2 A 20 TYR HA 1.0 1.676 3.1020 312 275 A 20 TYR HD1 A 20 TYR HA 1.0 1.676 3.1020 313 276 A 27 TYR HD2 A 27 TYR HA 1.0 1.740 3.3740 314 276 A 27 TYR HD1 A 27 TYR HA 1.0 1.740 3.3740 315 277 A 34 TYR HD1 A 34 TYR HA 1.0 1.716 3.2700 316 277 A 34 TYR HD2 A 34 TYR HA 1.0 1.716 3.2700 317 278 A 27 TYR HD2 A 24 LEU HA 1.0 1.879 4.1530 318 278 A 27 TYR HD1 A 24 LEU HA 1.0 1.879 4.1530 319 279 A 34 TYR HD1 A 31 LEU HA 1.0 2.975 5.1290 320 279 A 34 TYR HD2 A 31 LEU HA 1.0 2.975 5.1290 321 280 A 20 TYR HD2 A 21 GLU HA 1.0 1.896 4.2800 322 280 A 20 TYR HD1 A 21 GLU HA 1.0 1.896 4.2800 323 281 A 27 TYR HD2 A 28 GLU HA 1.0 1.862 4.0340 324 281 A 27 TYR HD1 A 28 GLU HA 1.0 1.862 4.0340 325 282 A 20 TYR HD2 A 7 LYS HA 1.0 2.038 4.0820 326 282 A 20 TYR HD1 A 7 LYS HA 1.0 2.038 4.0820 327 283 A 27 TYR HD2 A 4 LYS HA 1.0 1.815 3.7530 328 283 A 27 TYR HD1 A 4 LYS HA 1.0 1.815 3.7530 329 284 A 34 TYR HD1 A 34 TYR HBx 1.0 1.656 3.0260 330 284 A 34 TYR HD2 A 34 TYR HBx 1.0 1.656 3.0260 331 285 A 20 TYR HD2 A 8 PRO HDx 1.0 2.030 4.0420 332 285 A 20 TYR HD1 A 8 PRO HDx 1.0 2.030 4.0420 333 286 A 8 PRO HDy A 20 TYR HD2 1.0 2.266 4.4620 334 286 A 8 PRO HDy A 20 TYR HD1 1.0 2.266 4.4620 335 287 A 27 TYR HD2 A 28 GLU HGy 1.0 1.848 3.9480 336 287 A 27 TYR HD1 A 28 GLU HGy 1.0 1.848 3.9480 337 288 A 20 TYR HD2 A 21 GLU HGy 1.0 2.352 4.4100 338 288 A 20 TYR HD1 A 21 GLU HGy 1.0 2.352 4.4100 339 289 A 20 TYR HD2 A 5 PRO HBx 1.0 1.932 4.5940 340 289 A 20 TYR HD1 A 5 PRO HBx 1.0 1.932 4.5940 341 290 A 27 TYR HD2 A 28 GLU HGx 1.0 2.321 4.4290 342 290 A 27 TYR HD1 A 28 GLU HGx 1.0 2.321 4.4290 343 291 A 15 GLU H A 15 GLU HGx 1.0 2.344 4.4260 344 292 A 31 LEU H A 2 PRO HBx 1.0 2.646 5.4360 345 293 A 23 GLU H A 23 GLU HGy 1.0 1.744 3.3900 346 294 A 6 LYS H A 5 PRO HBx 1.0 1.911 4.4010 347 295 A 21 GLU H A 21 GLU HGx 1.0 1.817 3.7610 348 296 A 3 LYS H A 2 PRO HBy 1.0 1.922 4.5040 349 297 A 24 LEU HBy A 24 LEU H 1.0 1.898 4.2960 350 298 A 24 LEU HDy% A 24 LEU H 1.0 1.957 4.2230 351 299 A 24 LEU HDx% A 24 LEU H 1.0 1.861 4.0270 352 300 A 31 LEU H A 31 LEU HBy 1.0 1.774 3.5360 353 301 A 13 THR HG2% A 15 GLU H 1.0 2.885 5.2209 354 302 A 31 LEU H A 31 LEU HBx 1.0 1.944 4.7100 355 303 A 31 LEU HDx% A 31 LEU H 1.0 1.902 4.3260 356 304 A 7 LYS HBy A 7 LYS H 1.0 1.766 3.4980 357 305 A 7 LYS HGx A 7 LYS H 1.0 2.900 5.0540 358 306 A 4 LYS HBy A 4 LYS H 1.0 1.752 3.4300 359 307 A 6 LYS H A 5 PRO HBy 1.0 1.871 4.0930 360 308 A 17 LEU H A 16 LYS HBy 1.0 1.820 3.7820 361 309 A 18 ALA H A 18 ALA HB% 1.0 1.409 2.2430 362 310 A 12 ALA HB% A 9 GLY H 1.0 1.918 4.4620 363 311 A 17 LEU H A 17 LEU HDy% 1.0 2.086 3.5440 364 312 A 17 LEU H A 17 LEU HDx% 1.0 1.829 3.8350 365 313 A 28 GLU H A 24 LEU HDx% 1.0 1.924 4.5180 366 314 A 20 TYR H A 19 ALA HB% 1.0 1.619 2.8870 367 315 A 19 ALA H A 19 ALA HB% 1.0 1.425 2.2850 368 316 A 26 ALA HB% A 26 ALA H 1.0 1.488 2.4660 369 317 A 19 ALA H A 18 ALA HB% 1.0 1.553 2.6650 370 318 A 26 ALA H A 25 ALA HB% 1.0 1.555 2.6710 371 319 A 25 ALA H A 25 ALA HB% 1.0 1.441 2.3290 372 320 A 33 ALA HB% A 34 TYR H 1.0 2.152 3.5100 373 321 A 32 ALA H A 32 ALA HB% 1.0 1.430 2.2980 374 322 A 12 ALA HB% A 13 THR H 1.0 1.804 3.6900 375 323 A 32 ALA H A 31 LEU HDy% 1.0 2.464 4.4700 376 324 A 24 LEU HDy% A 25 ALA H 1.0 1.961 4.9150 377 325 A 24 LEU HDx% A 25 ALA H 1.0 1.952 4.8080 378 326 A 32 ALA H A 31 LEU HDx% 1.0 1.938 4.6540 379 327 A 27 TYR HD1 A 24 LEU HDx% 1.0 2.459 3.2130 380 327 A 27 TYR HD2 A 24 LEU HDx% 1.0 2.459 3.2130 381 328 A 27 TYR HE2 A 31 LEU HDx% 1.0 2.469 3.2370 382 328 A 27 TYR HE1 A 31 LEU HDx% 1.0 2.469 3.2370 383 329 A 27 TYR HE2 A 4 LYS HG3 1.0 1.943 4.7050 384 329 A 27 TYR HE1 A 4 LYS HG3 1.0 1.943 4.7050 385 329 A 27 TYR HE1 A 4 LYS HG2 1.0 1.943 4.7050 386 329 A 27 TYR HE2 A 4 LYS HG2 1.0 1.943 4.7050 387 330 A 27 TYR HE1 A 2 PRO HBx 1.0 2.167 3.9030 388 330 A 27 TYR HE2 A 2 PRO HBx 1.0 2.167 3.9030 389 331 A 27 TYR HE1 A 2 PRO HGy 1.0 2.176 4.4320 390 331 A 27 TYR HE2 A 2 PRO HGy 1.0 2.176 4.4320 391 332 A 27 TYR HE1 A 4 LYS HD2 1.0 2.259 4.4290 392 332 A 27 TYR HE2 A 4 LYS HD2 1.0 2.259 4.4290 393 333 A 27 TYR HE1 A 4 LYS HBy 1.0 1.868 4.0720 394 333 A 27 TYR HE2 A 4 LYS HBy 1.0 1.868 4.0720 395 334 A 20 TYR HD2 A 5 PRO HBy 1.0 1.740 3.3740 396 334 A 20 TYR HD1 A 5 PRO HBy 1.0 1.740 3.3740 397 335 A 5 PRO HGy A 20 TYR HD2 1.0 1.890 3.7200 398 335 A 5 PRO HGy A 20 TYR HD1 1.0 1.890 3.7200 399 336 A 27 TYR HD2 A 2 PRO HBx 1.0 2.044 3.6940 400 336 A 27 TYR HD1 A 2 PRO HBx 1.0 2.044 3.6940 401 337 A 27 TYR HD2 A 2 PRO HGy 1.0 2.956 5.0540 402 337 A 27 TYR HD1 A 2 PRO HGy 1.0 2.956 5.0540 403 338 A 29 LYS H A 29 LYS HGy 1.0 2.900 5.0140 404 338 A 29 LYS H A 29 LYS HGx 1.0 2.900 5.0140 405 339 A 16 LYS H A 16 LYS HBx 1.0 1.772 3.5300 406 340 A 20 TYR HD2 A 20 TYR HBy 1.0 1.620 2.8920 407 340 A 20 TYR HD1 A 20 TYR HBy 1.0 1.620 2.8920 408 341 A 27 TYR HD2 A 5 PRO HDx 1.0 2.225 3.9130 409 341 A 27 TYR HD1 A 5 PRO HDx 1.0 2.225 3.9130 410 342 A 27 TYR HD2 A 27 TYR HBy 1.0 1.625 2.9130 411 342 A 27 TYR HD1 A 27 TYR HBy 1.0 1.625 2.9130 412 343 A 27 TYR HD2 A 27 TYR HBx 1.0 1.617 2.8810 413 343 A 27 TYR HD1 A 27 TYR HBx 1.0 1.617 2.8810 414 344 A 34 TYR HE2 A 1 PRO HA 1.0 2.279 4.3570 415 344 A 34 TYR HE1 A 1 PRO HA 1.0 2.279 4.3570 416 345 A 27 TYR HE1 A 4 LYS HA 1.0 2.751 4.8670 417 345 A 27 TYR HE2 A 4 LYS HA 1.0 2.751 4.8670 418 346 A 34 TYR HE2 A 34 TYR HBx 1.0 2.032 4.6940 419 346 A 34 TYR HE1 A 34 TYR HBx 1.0 2.032 4.6940 420 347 A 27 TYR HE2 A 5 PRO HDx 1.0 2.758 4.8640 421 347 A 27 TYR HE1 A 5 PRO HDx 1.0 2.758 4.8640 422 348 A 27 TYR HE1 A 27 TYR HBy 1.0 2.024 4.6120 423 348 A 27 TYR HE2 A 27 TYR HBy 1.0 2.024 4.6120 424 349 A 27 TYR HE1 A 2 PRO HDx 1.0 2.024 4.6160 425 349 A 27 TYR HE2 A 2 PRO HDx 1.0 2.024 4.6160 426 350 A 34 TYR HE2 A 34 TYR HA 1.0 1.955 4.8470 427 350 A 34 TYR HE1 A 34 TYR HA 1.0 1.955 4.8470 428 351 A 27 TYR HE1 A 27 TYR HA 1.0 1.962 4.9420 429 351 A 27 TYR HE2 A 27 TYR HA 1.0 1.962 4.9420 430 352 A 4 LYS H A 3 LYS HB3 1.0 2.227 4.8490 431 352 A 4 LYS H A 3 LYS HB2 1.0 2.227 4.8490 432 353 A 6 LYS H A 6 LYS HDy 1.0 1.980 5.2060 433 354 A 25 ALA HB% A 24 LEU H 1.0 1.950 4.7960 434 355 A 16 LYS H A 15 GLU HBy 1.0 1.901 4.3150 435 356 A 21 GLU H A 20 TYR HA 1.0 1.919 4.4690 436 357 A 30 GLU H A 27 TYR HA 1.0 1.887 4.2110 437 358 A 34 TYR HE2 A 1 PRO HDx 1.0 2.308 4.3760 438 358 A 34 TYR HE1 A 1 PRO HDx 1.0 2.308 4.3760 439 359 A 14 PRO HDx A 13 THR HB 1.0 1.988 3.8040 440 360 A 13 THR HB A 14 PRO HDy 1.0 1.788 3.6040 441 361 A 14 PRO HDy A 13 THR HA 1.0 1.726 2.7800 442 362 A 14 PRO HDx A 13 THR HA 1.0 2.326 3.3800 443 363 A 34 TYR HBx A 34 TYR HA 1.0 1.818 3.7700 444 364 A 15 GLU HBx A 15 GLU HA 1.0 1.775 3.5410 445 365 A 1 PRO HA A 2 PRO HDx 1.0 1.665 3.0630 446 366 A 31 LEU HA A 2 PRO HDx 1.0 2.800 5.2100 447 367 A 20 TYR HA A 20 TYR HBy 1.0 1.700 3.2020 448 368 A 28 GLU HA A 28 GLU HGx 1.0 1.811 3.7270 449 369 A 23 GLU HBy A 20 TYR HA 1.0 1.793 3.6350 450 370 A 21 GLU HBy A 18 ALA HA 1.0 1.806 3.7060 451 371 A 27 TYR HA A 30 GLU HGx 1.0 2.600 5.0100 452 372 A 30 GLU HBx A 27 TYR HA 1.0 1.878 4.1460 453 373 A 2 PRO HA A 2 PRO HBx 1.0 1.790 3.6180 454 374 A 14 PRO HA A 14 PRO HBy 1.0 1.756 3.4520 455 375 A 26 ALA HA A 29 LYS HB2 1.0 1.957 3.6530 456 375 A 26 ALA HA A 29 LYS HB3 1.0 1.957 3.6530 457 376 A 3 LYS HA A 3 LYS HB3 1.0 1.838 3.1580 458 376 A 3 LYS HA A 3 LYS HB2 1.0 1.838 3.1580 459 377 A 7 LYS HA A 7 LYS HBx 1.0 1.842 3.9060 460 378 A 31 LEU HA A 31 LEU HBy 1.0 1.816 3.7580 461 379 A 26 ALA HB% A 26 ALA HA 1.0 1.452 2.3600 462 380 A 31 LEU HA A 31 LEU HDy% 1.0 1.860 4.0260 463 381 A 17 LEU HDy% A 14 PRO HA 1.0 2.021 3.2970 464 382 A 24 LEU HDy% A 21 GLU HA 1.0 1.828 3.8260 465 383 A 24 LEU HDx% A 21 GLU HA 1.0 2.391 4.7410 466 384 A 34 TYR HBy A 31 LEU HDx% 1.0 1.731 3.3350 467 385 A 4 LYS HA A 4 LYS HG2 1.0 1.867 4.0670 468 385 A 4 LYS HA A 4 LYS HG3 1.0 1.867 4.0670 469 386 A 3 LYS HB3 A 3 LYS HE2 1.0 2.132 3.7980 470 386 A 3 LYS HB2 A 3 LYS HE2 1.0 2.132 3.7980 471 386 A 3 LYS HB3 A 3 LYS HE3 1.0 2.132 3.7980 472 386 A 3 LYS HB2 A 3 LYS HE3 1.0 2.132 3.7980 473 387 A 7 LYS HEx A 7 LYS HD3 1.0 1.635 2.9450 474 387 A 7 LYS HEy A 7 LYS HD3 1.0 1.635 2.9450 475 387 A 7 LYS HEy A 7 LYS HD2 1.0 1.635 2.9450 476 387 A 7 LYS HD2 A 7 LYS HEx 1.0 1.635 2.9450 477 388 A 8 PRO HBx A 8 PRO HDy 1.0 2.096 3.5880 478 389 A 23 GLU HBx A 23 GLU HBy 1.0 1.500 2.5000 479 390 A 2 PRO HBx A 2 PRO HBy 1.0 1.492 2.4760 480 391 A 8 PRO HG2 A 8 PRO HBy 1.0 1.574 2.7340 481 392 A 15 GLU HBx A 15 GLU HGy 1.0 1.747 3.4090 482 393 A 15 GLU HBx A 15 GLU HGx 1.0 1.874 4.1180 483 394 A 14 PRO HGx A 14 PRO HBx 1.0 1.613 2.8670 484 395 A 8 PRO HG2 A 8 PRO HBx 1.0 1.794 3.6380 485 396 A 16 LYS HBx A 16 LYS HBy 1.0 1.464 2.3960 486 397 A 23 GLU HGy A 23 GLU HGx 1.0 1.573 2.7290 487 398 A 29 LYS HB2 A 29 LYS HD2 1.0 1.983 3.7830 488 398 A 29 LYS HB2 A 29 LYS HD3 1.0 1.983 3.7830 489 398 A 29 LYS HB3 A 29 LYS HD3 1.0 1.983 3.7830 490 398 A 29 LYS HB3 A 29 LYS HD2 1.0 1.983 3.7830 491 399 A 7 LYS HBy A 7 LYS HGy 1.0 1.732 3.3360 492 400 A 7 LYS HGy A 7 LYS HBx 1.0 1.915 4.4350 493 401 A 4 LYS HBx A 4 LYS HBy 1.0 1.553 2.6650 494 402 A 17 LEU HDy% A 17 LEU HBy 1.0 1.583 2.7650 495 403 A 24 LEU HDy% A 24 LEU HBx 1.0 2.277 3.4450 496 404 A 24 LEU HDx% A 24 LEU HBx 1.0 2.359 3.2810 497 405 A 31 LEU HDx% A 31 LEU HBy 1.0 1.786 2.7580 498 406 A 12 ALA HB% A 17 LEU HDy% 1.0 2.493 3.3010 499 407 A 31 LEU HDx% A 31 LEU HBx 1.0 2.102 3.1080 500 408 A 16 LYS HBx A 16 LYS HGx 1.0 1.861 4.0290 501 409 A 16 LYS HGy A 16 LYS HBy 1.0 1.729 3.3230 502 410 A 16 LYS HBy A 16 LYS HGx 1.0 1.805 3.6950 503 411 A 2 PRO HGx A 2 PRO HBx 1.0 1.737 3.3610 504 412 A 22 LYS HBx A 22 LYS HG2 1.0 1.773 3.5350 505 412 A 22 LYS HBy A 22 LYS HG2 1.0 1.773 3.5350 506 412 A 22 LYS HBx A 22 LYS HG3 1.0 1.773 3.5350 507 412 A 22 LYS HBy A 22 LYS HG3 1.0 1.773 3.5350 508 413 A 17 LEU HBy A 17 LEU HBx 1.0 1.515 2.5450 509 414 A 12 ALA HB% A 8 PRO HBx 1.0 1.557 2.6790 510 415 A 29 LYS HGx A 29 LYS HD3 1.0 1.763 3.4850 511 415 A 29 LYS HGy A 29 LYS HD3 1.0 1.763 3.4850 512 415 A 29 LYS HGy A 29 LYS HD2 1.0 1.763 3.4850 513 415 A 29 LYS HGx A 29 LYS HD2 1.0 1.763 3.4850 514 416 A 31 LEU HDy% A 31 LEU HBy 1.0 1.592 2.7940 515 417 A 17 LEU HDy% A 17 LEU HBx 1.0 1.700 3.2020 516 418 A 27 TYR HBx A 27 TYR HBy 1.0 1.560 2.6880 517 419 A 14 PRO HDx A 14 PRO HBy 1.0 2.899 4.9050 518 419 A 14 PRO HDy A 14 PRO HBy 1.0 2.899 4.9050 519 420 A 13 THR HG2% A 14 PRO HDx 1.0 1.885 4.1930 520 420 A 13 THR HG2% A 14 PRO HDy 1.0 1.885 4.1930 521 421 A 24 LEU HA A 5 PRO HGx 1.0 2.110 4.5940 522 421 A 24 LEU HA A 5 PRO HGy 1.0 2.110 4.5940 523 422 A 7 LYS HBy A 7 LYS HA 1.0 1.853 3.9790 524 423 A 18 ALA HA A 18 ALA HB% 1.0 1.479 2.2650 525 424 A 25 ALA HB% A 25 ALA HA 1.0 1.480 2.2680 526 425 A 33 ALA HB% A 33 ALA HA 1.0 1.466 2.3980 527 426 A 15 GLU HA A 18 ALA HB% 1.0 2.357 3.2730 528 427 A 32 ALA HA A 32 ALA HB% 1.0 1.391 2.1950 529 428 A 26 ALA HB% A 23 GLU HA 1.0 2.252 3.3620 530 429 A 12 ALA HB% A 12 ALA HA 1.0 1.436 2.3140 531 430 A 13 THR HG2% A 13 THR HB 1.0 1.414 2.2560 532 431 A 13 THR HG2% A 13 THR HA 1.0 1.459 2.3810 533 432 A 17 LEU HA A 17 LEU HBx 1.0 1.729 3.3250 534 433 A 19 ALA HA A 19 ALA HB% 1.0 1.447 2.1830 535 434 A 24 LEU HDx% A 20 TYR HE2 1.0 2.210 3.4560 536 434 A 24 LEU HDx% A 20 TYR HE1 1.0 2.210 3.4560 537 435 A 14 PRO HGx A 13 THR HA 1.0 3.377 5.4870 538 436 A 24 LEU HDx% A 24 LEU HA 1.0 1.474 2.4240 539 437 A 31 LEU HDx% A 31 LEU HA 1.0 1.483 2.4490 540 438 A 17 LEU HA A 17 LEU HDx% 1.0 1.437 2.3190 541 439 A 21 GLU HA A 21 GLU HGy 1.0 1.886 4.2020 542 440 A 8 PRO HDy A 8 PRO HBy 1.0 1.995 5.5890 543 441 A 16 LYS HGy A 16 LYS HE3 1.0 1.812 3.7360 544 441 A 16 LYS HGy A 16 LYS HE2 1.0 1.812 3.7360 545 442 A 21 GLU HBx A 21 GLU HGy 1.0 1.831 3.8390 546 443 A 23 GLU HBx A 23 GLU HGy 1.0 1.900 4.3120 547 443 A 22 LYS HBx A 23 GLU HGy 1.0 1.900 4.3120 548 444 A 28 GLU HGy A 28 GLU HBx 1.0 1.951 4.7950 549 445 A 5 PRO HGx A 5 PRO HBx 1.0 1.894 4.2660 550 445 A 5 PRO HGy A 5 PRO HBx 1.0 1.894 4.2660 551 446 A 14 PRO HDy A 14 PRO HGy 1.0 1.912 4.4140 552 447 A 2 PRO HGx A 31 LEU HA 1.0 2.290 5.7620 553 448 A 31 LEU HA A 2 PRO HGy 1.0 2.360 5.3180 554 449 A 31 LEU HA A 31 LEU HBx 1.0 1.944 4.7160 555 450 A 28 GLU HA A 31 LEU HDy% 1.0 1.851 3.9650 556 451 A 27 TYR HD2 A 4 LYS HG3 1.0 1.959 4.8990 557 451 A 27 TYR HD1 A 4 LYS HG3 1.0 1.959 4.8990 558 451 A 27 TYR HD2 A 4 LYS HG2 1.0 1.959 4.8990 559 451 A 27 TYR HD1 A 4 LYS HG2 1.0 1.959 4.8990 560 452 A 4 LYS H A 4 LYS HG3 1.0 2.987 5.6390 561 452 A 4 LYS H A 4 LYS HG2 1.0 2.987 5.6390 562 453 A 27 TYR HE1 A 2 PRO HBy 1.0 1.971 5.0670 563 453 A 27 TYR HE2 A 2 PRO HBy 1.0 1.971 5.0670 564 454 A 27 TYR HE1 A 28 GLU HA 1.0 1.958 4.8860 565 454 A 27 TYR HE2 A 28 GLU HA 1.0 1.958 4.8860 566 455 A 14 PRO HDx A 14 PRO HA 1.0 1.992 5.4940 567 456 A 24 LEU H A 23 GLU HGy 1.0 2.984 5.7340 568 457 A 27 TYR H A 24 LEU HDx% 1.0 1.976 5.1480 569 458 A 23 GLU HBy A 20 TYR HD2 1.0 1.969 5.0310 570 458 A 23 GLU HBy A 20 TYR HD1 1.0 1.969 5.0310 571 459 A 21 GLU HBy A 20 TYR HD2 1.0 3.498 5.6360 572 459 A 21 GLU HBy A 20 TYR HD1 1.0 3.498 5.6360 573 460 A 20 TYR HE1 A 5 PRO HBy 1.0 1.914 4.4260 574 460 A 20 TYR HE2 A 5 PRO HBy 1.0 1.914 4.4260 575 461 A 5 PRO HGx A 20 TYR HE1 1.0 1.961 4.9170 576 461 A 5 PRO HGx A 20 TYR HE2 1.0 1.961 4.9170 577 461 A 5 PRO HGy A 20 TYR HE1 1.0 1.961 4.9170 578 461 A 5 PRO HGy A 20 TYR HE2 1.0 1.961 4.9170 579 462 A 20 TYR HA A 19 ALA HB% 1.0 1.873 4.1130 580 463 A 27 TYR HE1 A 28 GLU HGy 1.0 2.898 5.2620 581 463 A 27 TYR HE2 A 28 GLU HGy 1.0 2.898 5.2620 582 464 A 20 TYR HD2 A 7 LYS H 1.0 1.996 6.3280 583 464 A 20 TYR HD1 A 7 LYS H 1.0 1.996 6.3280 584 465 A 20 TYR HD2 A 24 LEU H 1.0 1.987 5.3810 585 465 A 20 TYR HD1 A 24 LEU H 1.0 1.987 5.3810 586 466 A 27 TYR HE1 A 3 LYS H 1.0 2.998 5.2740 587 466 A 27 TYR HE2 A 3 LYS H 1.0 2.998 5.2740 588 467 A 33 ALA H A 31 LEU H 1.0 1.998 5.7140 589 468 A 22 LYS H A 20 TYR HA 1.0 2.000 6.0680 590 469 A 26 ALA H A 27 TYR HA 1.0 1.973 6.9650 591 470 A 29 LYS H A 27 TYR HA 1.0 1.999 5.8230 592 471 A 31 LEU H A 27 TYR HA 1.0 1.998 5.7700 593 472 A 22 LYS HA A 24 LEU H 1.0 2.000 5.8760 594 473 A 27 TYR HBy A 24 LEU H 1.0 1.972 6.9700 595 474 A 16 LYS H A 15 GLU HGx 1.0 2.998 5.2620 596 475 A 17 LEU HDx% A 20 TYR H 1.0 2.000 5.8840 597 476 A 11 ASN HA A 10 ASP HA 1.0 3.867 6.1970 598 477 A 13 THR HA A 12 ALA HA 1.0 2.694 4.8620 599 478 A 8 PRO HDy A 7 LYS HGx 1.0 1.940 4.6800 600 479 A 34 TYR HD1 A 31 LEU HDx% 1.0 2.251 4.3590 601 479 A 34 TYR HD2 A 31 LEU HDx% 1.0 2.251 4.3590 602 480 A 2 PRO HBy A 2 PRO HDx 1.0 2.900 5.0220 603 481 A 2 PRO HDy A 2 PRO HBy 1.0 1.988 5.3960 604 482 A 2 PRO HDx A 2 PRO HGy 1.0 1.733 3.3470 605 483 A 34 TYR HD1 A 1 PRO HA 1.0 2.301 4.7190 606 483 A 34 TYR HD2 A 1 PRO HA 1.0 2.301 4.7190 607 484 A 17 LEU HBx A 21 GLU HGx 1.0 1.843 3.9170 608 485 A 16 LYS H A 16 LYS HGx 1.0 2.900 5.0760 609 486 A 27 TYR HE1 A 27 TYR HBx 1.0 1.945 4.7250 610 486 A 27 TYR HE2 A 27 TYR HBx 1.0 1.945 4.7250 611 487 A 31 LEU H A 2 PRO HGy 1.0 2.994 5.4300 612 487 A 2 PRO HGx A 31 LEU H 1.0 2.994 5.4300 613 488 A 20 TYR HE1 A 7 LYS HA 1.0 1.947 4.7450 614 488 A 20 TYR HE2 A 7 LYS HA 1.0 1.947 4.7450 615 489 A 17 LEU HBy A 18 ALA H 1.0 1.786 3.6000 616 490 A 8 PRO HDy A 7 LYS H 1.0 3.848 5.4480 617 491 A 10 ASP HA A 10 ASP H 1.0 2.983 5.1550 618 491 A 8 PRO HA A 10 ASP H 1.0 2.983 5.1550 619 492 A 16 LYS HA A 19 ALA H 1.0 1.838 3.8880 620 492 A 19 ALA H A 18 ALA HA 1.0 1.838 3.8880 621 493 A 32 ALA H A 31 LEU HBy 1.0 1.974 5.1000 622 493 A 29 LYS H A 31 LEU HBy 1.0 1.974 5.1000 623 494 A 17 LEU H A 16 LYS HGx 1.0 2.501 4.5210 624 494 A 12 ALA HB% A 17 LEU H 1.0 2.501 4.5210 625 495 A 17 LEU H A 16 LYS HA 1.0 1.869 4.0810 626 495 A 17 LEU H A 14 PRO HA 1.0 1.869 4.0810 627 496 A 21 GLU HBy A 23 GLU H 1.0 1.954 4.8340 628 496 A 21 GLU HBy A 18 ALA H 1.0 1.954 4.8340 629 497 A 33 ALA HB% A 31 LEU H 1.0 1.966 5.0000 630 497 A 31 LEU H A 32 ALA HB% 1.0 1.966 5.0000 631 498 A 29 LYS HD2 A 29 LYS HE2 1.0 1.781 3.5730 632 498 A 6 LYS HDx A 6 LYS HE3 1.0 1.781 3.5730 633 498 A 6 LYS HDx A 6 LYS HE2 1.0 1.781 3.5730 634 498 A 29 LYS HD3 A 29 LYS HE3 1.0 1.781 3.5730 635 498 A 6 LYS HDy A 6 LYS HE2 1.0 1.781 3.5730 636 498 A 29 LYS HD2 A 29 LYS HE3 1.0 1.781 3.5730 637 499 A 22 LYS HG2 A 22 LYS HE3 1.0 2.201 3.4290 638 499 A 22 LYS HG2 A 22 LYS HE2 1.0 2.201 3.4290 639 499 A 22 LYS HG3 A 22 LYS HE2 1.0 2.201 3.4290 640 499 A 22 LYS HG3 A 22 LYS HE3 1.0 2.201 3.4290 641 500 A 27 TYR HBx A 23 GLU HBx 1.0 1.995 5.6150 642 500 A 2 PRO HBx A 2 PRO HDx 1.0 1.995 5.6150 643 500 A 30 GLU HBx A 27 TYR HBx 1.0 1.995 5.6150 644 501 A 26 ALA HA A 29 LYS HB2 1.0 2.029 3.6250 645 501 A 19 ALA HA A 22 LYS HBx 1.0 2.029 3.6250 646 501 A 22 LYS HBy A 19 ALA HA 1.0 2.029 3.6250 647 502 A 29 LYS HA A 29 LYS HB2 1.0 1.659 3.0370 648 502 A 29 LYS HA A 29 LYS HB3 1.0 1.659 3.0370 649 503 A 17 LEU HA A 17 LEU HBx 1.0 1.748 3.4120 650 503 A 22 LYS HA A 22 LYS HG2 1.0 1.748 3.4120 651 504 A 22 LYS HA A 22 LYS HG2 1.0 1.862 4.0340 652 504 A 22 LYS HA A 22 LYS HG3 1.0 1.862 4.0340 653 505 A 4 LYS HA A 5 PRO HBy 1.0 1.999 5.8290 654 505 A 2 PRO HDy A 1 PRO HB2 1.0 1.999 5.8290 655 505 A 2 PRO HDy A 1 PRO HB3 1.0 1.999 5.8290 656 506 A 1 PRO HA A 2 PRO HGy 1.0 1.983 5.2830 657 506 A 8 PRO HBx A 7 LYS HA 1.0 1.983 5.2830 658 507 A 23 GLU HBx A 26 ALA H 1.0 1.992 5.4920 659 507 A 26 ALA H A 29 LYS HB2 1.0 1.992 5.4920 660 507 A 26 ALA H A 29 LYS HB3 1.0 1.992 5.4920 661 507 A 26 ALA H A 22 LYS HBx 1.0 1.992 5.4920 662 507 A 13 THR H A 15 GLU HBy 1.0 1.992 5.4920 663 508 A 18 ALA H A 19 ALA HB% 1.0 1.969 5.0430 664 508 A 24 LEU HBx A 23 GLU H 1.0 1.969 5.0430 665 508 A 23 GLU H A 19 ALA HB% 1.0 1.969 5.0430 666 509 A 23 GLU H A 5 PRO HGy 1.0 1.959 4.8890 667 509 A 18 ALA H A 17 LEU HBx 1.0 1.959 4.8890 668 509 A 8 PRO HBx A 9 GLY H 1.0 1.959 4.8890 669 510 A 23 GLU H A 22 LYS HG2 1.0 1.972 5.0820 670 510 A 23 GLU H A 22 LYS HG3 1.0 1.972 5.0820 671 510 A 18 ALA H A 17 LEU HBx 1.0 1.972 5.0820 672 511 A 21 GLU H A 22 LYS H 1.0 1.668 3.0740 673 511 A 30 GLU H A 29 LYS H 1.0 1.668 3.0740 674 512 A 27 TYR H A 26 ALA HA 1.0 1.885 4.1990 675 512 A 27 TYR H A 25 ALA HA 1.0 1.885 4.1990 676 513 A 26 ALA HA A 26 ALA H 1.0 1.683 3.1310 677 513 A 26 ALA H A 25 ALA HA 1.0 1.683 3.1310 678 514 A 32 ALA H A 32 ALA HA 1.0 1.673 3.0910 679 514 A 29 LYS H A 29 LYS HA 1.0 1.673 3.0910 680 515 A 11 ASN HD21 A 11 ASN HBx 1.0 1.724 3.3060 681 515 A 11 ASN HD21 A 11 ASN HBy 1.0 1.724 3.3060 682 516 A 11 ASN HD22 A 11 ASN HBx 1.0 1.981 5.2390 683 516 A 11 ASN HD22 A 11 ASN HBy 1.0 1.981 5.2390 684 517 A 20 TYR HD1 A 21 GLU HGx 1.0 2.105 4.5510 685 517 A 20 TYR HD2 A 5 PRO HBx 1.0 2.105 4.5510 686 517 A 20 TYR HD1 A 5 PRO HBx 1.0 2.105 4.5510 687 517 A 20 TYR HD2 A 21 GLU HGx 1.0 2.105 4.5510 688 518 A 23 GLU HBx A 24 LEU H 1.0 1.952 4.8060 689 518 A 24 LEU H A 22 LYS HBx 1.0 1.952 4.8060 690 519 A 7 LYS HGx A 7 LYS H 1.0 1.993 5.5530 691 519 A 6 LYS HG3 A 7 LYS H 1.0 1.993 5.5530 692 519 A 7 LYS H A 6 LYS HG2 1.0 1.993 5.5530 693 520 A 6 LYS H A 6 LYS HB3 1.0 1.554 2.6700 694 520 A 3 LYS H A 3 LYS HB3 1.0 1.554 2.6700 695 521 A 23 GLU H A 23 GLU HBx 1.0 1.704 3.2200 696 521 A 23 GLU H A 22 LYS HBx 1.0 1.704 3.2200 697 522 A 30 GLU H A 29 LYS HB2 1.0 1.775 3.5410 698 522 A 30 GLU H A 30 GLU HBy 1.0 1.775 3.5410 699 523 A 23 GLU H A 5 PRO HGy 1.0 1.931 4.5750 700 523 A 18 ALA H A 17 LEU HBx 1.0 1.931 4.5750 701 524 A 26 ALA HB% A 25 ALA H 1.0 1.945 4.7350 702 524 A 24 LEU HBx A 25 ALA H 1.0 1.945 4.7350 703 525 A 34 TYR H A 31 LEU HBx 1.0 1.973 5.0870 704 525 A 12 ALA HB% A 16 LYS H 1.0 1.973 5.0870 705 526 A 22 LYS H A 19 ALA HB% 1.0 1.973 5.0890 706 526 A 29 LYS H A 29 LYS HGy 1.0 1.973 5.0890 707 526 A 29 LYS H A 29 LYS HGx 1.0 1.973 5.0890 708 527 A 29 LYS H A 28 GLU HBy 1.0 1.873 4.1070 709 527 A 21 GLU HBx A 22 LYS H 1.0 1.873 4.1070 710 528 A 28 GLU H A 27 TYR HBx 1.0 1.939 4.6590 711 528 A 27 TYR HBx A 4 LYS H 1.0 1.939 4.6590 712 529 A 12 ALA HB% A 10 ASP H 1.0 1.985 5.3170 713 529 A 7 LYS HGx A 7 LYS H 1.0 1.985 5.3170 714 529 A 6 LYS HG3 A 7 LYS H 1.0 1.985 5.3170 715 530 A 22 LYS H A 22 LYS HBx 1.0 1.681 3.1210 716 530 A 22 LYS H A 22 LYS HBy 1.0 1.681 3.1210 717 530 A 29 LYS H A 29 LYS HB2 1.0 1.681 3.1210 718 531 A 29 LYS H A 30 GLU HGx 1.0 1.944 4.7180 719 531 A 21 GLU HBx A 22 LYS H 1.0 1.944 4.7180 720 532 A 32 ALA H A 32 ALA HA 1.0 1.700 3.1980 721 532 A 29 LYS H A 29 LYS HA 1.0 1.700 3.1980 722 532 A 22 LYS H A 22 LYS HA 1.0 1.700 3.1980 723 533 A 29 LYS HA A 29 LYS HB3 1.0 1.669 3.0790 724 533 A 23 GLU HBx A 23 GLU HA 1.0 1.669 3.0790 725 533 A 29 LYS HA A 29 LYS HB2 1.0 1.669 3.0790 726 534 A 34 TYR HBy A 34 TYR HA 1.0 2.174 3.5960 727 534 A 17 LEU HA A 20 TYR HBx 1.0 2.174 3.5960 728 535 A 22 LYS HBy A 22 LYS HA 1.0 1.610 2.8580 729 535 A 15 GLU HA A 15 GLU HBy 1.0 1.610 2.8580 730 536 A 23 GLU HBx A 23 GLU HA 1.0 2.159 3.5390 731 536 A 29 LYS HA A 29 LYS HB3 1.0 2.159 3.5390 732 537 A 29 LYS HA A 32 ALA HB% 1.0 2.032 3.6360 733 537 A 33 ALA HB% A 30 GLU HA 1.0 2.032 3.6360 734 538 A 6 LYS HA A 6 LYS HB2 1.0 2.048 3.7100 735 538 A 6 LYS HB3 A 6 LYS HA 1.0 2.048 3.7100 736 538 A 17 LEU HA A 17 LEU HBx 1.0 2.048 3.7100 737 539 A 8 PRO HBx A 8 PRO HDx 1.0 1.818 3.8520 738 539 A 3 LYS HB3 A 3 LYS HE3 1.0 1.818 3.8520 739 539 A 3 LYS HB2 A 3 LYS HE2 1.0 1.818 3.8520 740 539 A 3 LYS HB3 A 3 LYS HE2 1.0 1.818 3.8520 741 539 A 3 LYS HB2 A 3 LYS HE3 1.0 1.818 3.8520 742 539 A 6 LYS HB3 A 6 LYS HE2 1.0 1.818 3.8520 743 540 A 15 GLU HBy A 15 GLU HGx 1.0 1.477 2.4310 744 540 A 14 PRO HGy A 14 PRO HBy 1.0 1.477 2.4310 745 541 A 22 LYS HBx A 22 LYS HD2 1.0 1.735 3.3510 746 541 A 22 LYS HBx A 22 LYS HD3 1.0 1.735 3.3510 747 541 A 22 LYS HBy A 22 LYS HD2 1.0 1.735 3.3510 748 541 A 22 LYS HBy A 22 LYS HD3 1.0 1.735 3.3510 749 542 A 29 LYS HB2 A 29 LYS HD2 1.0 1.711 3.2490 750 542 A 29 LYS HB2 A 29 LYS HD3 1.0 1.711 3.2490 751 542 A 29 LYS HB3 A 29 LYS HD3 1.0 1.711 3.2490 752 542 A 29 LYS HB3 A 29 LYS HD2 1.0 1.711 3.2490 753 543 A 7 LYS HGy A 7 LYS HD3 1.0 1.648 2.9940 754 543 A 7 LYS HGy A 7 LYS HD2 1.0 1.648 2.9940 755 543 A 7 LYS HBy A 7 LYS HGy 1.0 1.648 2.9940 756 544 A 7 LYS HGx A 7 LYS HD3 1.0 1.761 3.4730 757 544 A 7 LYS HGx A 7 LYS HD2 1.0 1.761 3.4730 758 544 A 7 LYS HBy A 7 LYS HGx 1.0 1.761 3.4730 759 545 A 6 LYS H A 5 PRO HA 1.0 1.427 2.2910 760 545 A 2 PRO HA A 3 LYS H 1.0 1.427 2.2910 761 546 A 1 PRO HDy A 1 PRO HGy 1.0 1.810 3.7240 762 546 A 1 PRO HA A 1 PRO HB2 1.0 1.810 3.7240 763 546 A 1 PRO HA A 1 PRO HB3 1.0 1.810 3.7240 764 547 A 23 GLU HA A 23 GLU HGx 1.0 1.758 3.4580 765 547 A 23 GLU HA A 23 GLU HBy 1.0 1.758 3.4580 766 548 A 16 LYS HA A 16 LYS HBy 1.0 1.769 3.5130 767 548 A 14 PRO HA A 14 PRO HBx 1.0 1.769 3.5130 768 549 A 4 LYS HEx A 4 LYS HD3 1.0 1.603 2.8310 769 549 A 4 LYS HD2 A 4 LYS HEx 1.0 1.603 2.8310 770 549 A 7 LYS HEy A 7 LYS HD3 1.0 1.603 2.8310 771 549 A 7 LYS HEy A 7 LYS HD2 1.0 1.603 2.8310 772 549 A 4 LYS HD3 A 4 LYS HEy 1.0 1.603 2.8310 773 549 A 7 LYS HD2 A 7 LYS HEx 1.0 1.603 2.8310 774 550 A 14 PRO HDy A 17 LEU HDy% 1.0 1.827 3.8190 775 550 A 24 LEU HA A 24 LEU HDy% 1.0 1.827 3.8190 776 551 A 31 LEU HA A 31 LEU HBx 1.0 1.938 4.6520 777 551 A 12 ALA HB% A 9 GLY HAx 1.0 1.938 4.6520 778 552 A 8 PRO HDy A 16 LYS HGy 1.0 1.991 5.4650 779 552 A 8 PRO HDy A 7 LYS HD2 1.0 1.991 5.4650 780 552 A 8 PRO HDy A 7 LYS HBy 1.0 1.991 5.4650 781 553 A 27 TYR HD2 A 4 LYS H 1.0 1.978 3.7560 782 553 A 27 TYR HD1 A 4 LYS H 1.0 1.978 3.7560 783 553 A 28 GLU H A 27 TYR HD2 1.0 1.978 3.7560 784 553 A 28 GLU H A 27 TYR HD1 1.0 1.978 3.7560 785 554 A 22 LYS HA A 23 GLU H 1.0 1.748 3.4140 786 554 A 17 LEU HA A 18 ALA H 1.0 1.748 3.4140 787 554 A 15 GLU HA A 18 ALA H 1.0 1.748 3.4140 788 555 A 22 LYS H A 19 ALA HA 1.0 1.886 4.2040 789 555 A 29 LYS H A 26 ALA HA 1.0 1.886 4.2040 790 556 A 4 LYS H A 3 LYS HB3 1.0 1.870 4.0880 791 556 A 4 LYS H A 3 LYS HB2 1.0 1.870 4.0880 792 556 A 4 LYS H A 2 PRO HGy 1.0 1.870 4.0880 793 557 A 3 LYS H A 2 PRO HBx 1.0 1.916 4.4440 794 557 A 30 GLU HBx A 3 LYS H 1.0 1.916 4.4440 795 558 A 18 ALA H A 19 ALA HB% 1.0 1.871 4.0970 796 558 A 23 GLU H A 19 ALA HB% 1.0 1.871 4.0970 797 559 A 16 LYS H A 16 LYS HGx 1.0 1.992 5.5020 798 559 A 12 ALA HB% A 16 LYS H 1.0 1.992 5.5020 799 560 A 33 ALA H A 33 ALA HB% 1.0 1.424 2.2840 800 560 A 33 ALA H A 32 ALA HB% 1.0 1.424 2.2840 801 561 A 27 TYR HE1 A 2 PRO HGx 1.0 2.643 5.4030 802 561 A 27 TYR HE1 A 3 LYS HB3 1.0 2.643 5.4030 803 561 A 27 TYR HE1 A 3 LYS HB2 1.0 2.643 5.4030 804 561 A 27 TYR HE2 A 3 LYS HB2 1.0 2.643 5.4030 805 562 A 27 TYR HE2 A 31 LEU HBy 1.0 1.919 4.4790 806 562 A 27 TYR HE1 A 31 LEU HBy 1.0 1.919 4.4790 807 562 A 27 TYR HE1 A 4 LYS HBx 1.0 1.919 4.4790 808 562 A 27 TYR HE2 A 4 LYS HBx 1.0 1.919 4.4790 809 563 A 34 TYR HE2 A 1 PRO HGy 1.0 2.036 4.7340 810 563 A 34 TYR HE1 A 1 PRO HB3 1.0 2.036 4.7340 811 563 A 34 TYR HE1 A 1 PRO HGy 1.0 2.036 4.7340 812 563 A 34 TYR HE2 A 1 PRO HB3 1.0 2.036 4.7340 813 563 A 34 TYR HE1 A 1 PRO HB2 1.0 2.036 4.7340 814 563 A 34 TYR HE2 A 1 PRO HB2 1.0 2.036 4.7340 815 564 A 24 LEU HBx A 20 TYR HD1 1.0 1.912 4.4040 816 564 A 24 LEU HBx A 20 TYR HD2 1.0 1.912 4.4040 817 564 A 7 LYS HBy A 20 TYR HD2 1.0 1.912 4.4040 818 564 A 7 LYS HBy A 20 TYR HD1 1.0 1.912 4.4040 819 565 A 27 TYR HD1 A 24 LEU HBx 1.0 2.957 5.8690 820 565 A 27 TYR HD2 A 4 LYS HD2 1.0 2.957 5.8690 821 565 A 27 TYR HD1 A 4 LYS HD3 1.0 2.957 5.8690 822 565 A 27 TYR HD1 A 4 LYS HD2 1.0 2.957 5.8690 823 565 A 27 TYR HD2 A 24 LEU HBx 1.0 2.957 5.8690 824 565 A 27 TYR HD2 A 4 LYS HD3 1.0 2.957 5.8690 825 566 A 27 TYR HD1 A 24 LEU HBy 1.0 2.991 6.4770 826 566 A 27 TYR HD2 A 24 LEU HBy 1.0 2.991 6.4770 827 566 A 27 TYR HD2 A 4 LYS HBx 1.0 2.991 6.4770 828 566 A 27 TYR HD1 A 4 LYS HBx 1.0 2.991 6.4770 829 567 A 34 TYR HD2 A 34 TYR HBy 1.0 1.568 2.7160 830 567 A 20 TYR HD2 A 20 TYR HBx 1.0 1.568 2.7160 831 567 A 20 TYR HD1 A 20 TYR HBx 1.0 1.568 2.7160 832 567 A 34 TYR HBy A 34 TYR HD1 1.0 1.568 2.7160 833 568 A 34 TYR HE1 A 2 PRO HDx 1.0 1.969 5.0230 834 568 A 34 TYR HE2 A 2 PRO HDx 1.0 1.969 5.0230 835 568 A 34 TYR HBy A 34 TYR HE2 1.0 1.969 5.0230 836 568 A 34 TYR HBy A 34 TYR HE1 1.0 1.969 5.0230 837 569 A 30 GLU HA A 31 LEU H 1.0 1.968 5.0080 838 569 A 29 LYS HA A 31 LEU H 1.0 1.968 5.0080 839 570 A 30 GLU H A 30 GLU HBx 1.0 1.773 3.5310 840 570 A 30 GLU H A 29 LYS HB2 1.0 1.773 3.5310 841 571 A 12 ALA HB% A 10 ASP H 1.0 1.995 5.6270 842 571 A 7 LYS HGx A 7 LYS H 1.0 1.995 5.6270 843 572 A 25 ALA H A 24 LEU HBy 1.0 1.950 3.0540 844 572 A 13 THR H A 13 THR HG2% 1.0 1.950 3.0540 845 573 A 12 ALA H A 12 ALA HB% 1.0 1.449 2.3530 846 573 A 33 ALA H A 33 ALA HB% 1.0 1.449 2.3530 847 574 A 5 PRO HGy A 20 TYR HD2 1.0 1.847 3.9430 848 574 A 5 PRO HGy A 20 TYR HD1 1.0 1.847 3.9430 849 574 A 20 TYR HD2 A 17 LEU HBx 1.0 1.847 3.9430 850 574 A 20 TYR HD1 A 17 LEU HBx 1.0 1.847 3.9430 851 575 A 30 GLU H A 30 GLU HA 1.0 1.906 3.8060 852 575 A 30 GLU H A 29 LYS HA 1.0 1.906 3.8060 853 576 A 34 TYR HD1 A 1 PRO HDx 1.0 2.110 4.5860 854 576 A 34 TYR HD2 A 1 PRO HDx 1.0 2.110 4.5860 855 576 A 34 TYR HD1 A 1 PRO HA 1.0 2.110 4.5860 856 576 A 34 TYR HD2 A 1 PRO HA 1.0 2.110 4.5860 857 577 A 16 LYS H A 15 GLU HA 1.0 1.833 3.8530 858 577 A 34 TYR H A 34 TYR HA 1.0 1.833 3.8530 859 578 A 27 TYR HE2 A 4 LYS HA 1.0 1.898 4.2940 860 578 A 27 TYR HE1 A 4 LYS HA 1.0 1.898 4.2940 861 578 A 27 TYR HE1 A 2 PRO HDy 1.0 1.898 4.2940 862 578 A 27 TYR HE2 A 2 PRO HDy 1.0 1.898 4.2940 863 579 A 11 ASN HBy A 11 ASN HA 1.0 1.613 2.8650 864 579 A 11 ASN HA A 11 ASN HBx 1.0 1.613 2.8650 865 580 A 22 LYS HBy A 18 ALA HA 1.0 1.866 4.0640 866 580 A 16 LYS HA A 15 GLU HBy 1.0 1.866 4.0640 867 580 A 14 PRO HA A 15 GLU HBy 1.0 1.866 4.0640 868 581 A 1 PRO HDx A 1 PRO HGy 1.0 1.691 3.1670 869 581 A 1 PRO HA A 1 PRO HB2 1.0 1.691 3.1670 870 581 A 1 PRO HA A 1 PRO HB3 1.0 1.691 3.1670 871 582 A 23 GLU HBx A 20 TYR HA 1.0 1.993 5.5490 872 582 A 20 TYR HA A 22 LYS HBx 1.0 1.993 5.5490 873 583 A 2 PRO HA A 3 LYS HB3 1.0 1.863 4.0490 874 583 A 5 PRO HA A 5 PRO HGy 1.0 1.863 4.0490 875 583 A 2 PRO HA A 2 PRO HGy 1.0 1.863 4.0490 876 583 A 5 PRO HA A 5 PRO HGx 1.0 1.863 4.0490 877 584 A 16 LYS HA A 16 LYS HBx 1.0 1.669 3.0770 878 584 A 17 LEU HBy A 14 PRO HA 1.0 1.669 3.0770 879 585 A 7 LYS HA A 6 LYS HB2 1.0 1.976 5.1520 880 585 A 8 PRO HBx A 7 LYS HA 1.0 1.976 5.1520 881 585 A 6 LYS HB3 A 7 LYS HA 1.0 1.976 5.1520 882 585 A 1 PRO HA A 2 PRO HGy 1.0 1.976 5.1520 883 586 A 17 LEU HDx% A 20 TYR HBy 1.0 1.885 4.1930 884 586 A 24 LEU HDx% A 27 TYR HBx 1.0 1.885 4.1930 885 587 A 4 LYS HD3 A 4 LYS HEy 1.0 1.844 3.9180 886 587 A 4 LYS HD2 A 4 LYS HEy 1.0 1.844 3.9180 887 587 A 29 LYS HGy A 29 LYS HE2 1.0 1.844 3.9180 888 587 A 29 LYS HGx A 29 LYS HE2 1.0 1.844 3.9180 889 588 A 8 PRO HBx A 17 LEU HDy% 1.0 1.606 2.8440 890 588 A 17 LEU HDy% A 17 LEU HBx 1.0 1.606 2.8440 891 589 A 8 PRO HBy A 16 LYS HGx 1.0 2.024 3.6040 892 589 A 12 ALA HB% A 8 PRO HBy 1.0 2.024 3.6040 893 590 A 22 LYS HBy A 25 ALA HB% 1.0 1.906 4.3560 894 590 A 22 LYS HBy A 18 ALA HB% 1.0 1.906 4.3560 895 590 A 22 LYS HBx A 18 ALA HB% 1.0 1.906 4.3560 896 590 A 2 PRO HBx A 31 LEU HBy 1.0 1.906 4.3560 897 590 A 4 LYS HBx A 2 PRO HBx 1.0 1.906 4.3560 898 590 A 30 GLU HBx A 31 LEU HBy 1.0 1.906 4.3560 899 590 A 15 GLU HBy A 18 ALA HB% 1.0 1.906 4.3560 900 591 A 29 LYS HB3 A 29 LYS HGy 1.0 1.795 3.6450 901 591 A 29 LYS HGx A 29 LYS HB2 1.0 1.795 3.6450 902 591 A 29 LYS HB2 A 29 LYS HGy 1.0 1.795 3.6450 903 592 A 12 ALA HB% A 8 PRO HBx 1.0 2.311 3.3330 904 592 A 22 LYS HG3 A 22 LYS HD2 1.0 2.311 3.3330 905 592 A 22 LYS HG2 A 22 LYS HD3 1.0 2.311 3.3330 906 592 A 22 LYS HG2 A 22 LYS HD2 1.0 2.311 3.3330 907 593 A 24 LEU HDx% A 24 LEU HBy 1.0 2.279 3.4510 908 593 A 12 ALA HB% A 17 LEU HDx% 1.0 2.279 3.4510 909 594 A 8 PRO HBx A 17 LEU HDx% 1.0 2.406 3.2320 910 594 A 17 LEU HDx% A 17 LEU HBx 1.0 2.406 3.2320 911 595 A 24 LEU HA A 23 GLU HBx 1.0 1.990 5.4440 912 595 A 14 PRO HDy A 14 PRO HBy 1.0 1.990 5.4440 913 595 A 14 PRO HDx A 14 PRO HBy 1.0 1.990 5.4440 914 596 A 24 LEU HA A 24 LEU HBy 1.0 1.858 4.0080 915 596 A 13 THR HG2% A 14 PRO HDx 1.0 1.858 4.0080 916 596 A 13 THR HG2% A 14 PRO HDy 1.0 1.858 4.0080 917 597 A 5 PRO HA A 5 PRO HGx 1.0 1.886 4.1980 918 597 A 5 PRO HA A 5 PRO HGy 1.0 1.886 4.1980 919 597 A 2 PRO HA A 2 PRO HGy 1.0 1.886 4.1980 920 598 A 8 PRO HA A 8 PRO HBx 1.0 1.667 3.0670 921 598 A 3 LYS HA A 3 LYS HB3 1.0 1.667 3.0670 922 598 A 3 LYS HA A 3 LYS HB2 1.0 1.667 3.0670 923 599 A 22 LYS HE2 A 22 LYS HD2 1.0 1.796 3.6500 924 599 A 6 LYS HDy A 6 LYS HE2 1.0 1.796 3.6500 925 599 A 22 LYS HE3 A 22 LYS HD2 1.0 1.796 3.6500 926 599 A 22 LYS HE2 A 22 LYS HD3 1.0 1.796 3.6500 927 599 A 22 LYS HE3 A 22 LYS HD3 1.0 1.796 3.6500 928 600 A 9 GLY HAx A 10 ASP HA 1.0 1.998 5.8040 929 600 A 8 PRO HA A 9 GLY HAx 1.0 1.998 5.8040 930 601 A 14 PRO HDy A 14 PRO HA 1.0 1.961 4.9230 931 601 A 14 PRO HDx A 14 PRO HA 1.0 1.961 4.9230 932 602 A 9 GLY HAy A 10 ASP HA 1.0 1.999 5.8510 933 602 A 8 PRO HA A 9 GLY HAy 1.0 1.999 5.8510 934 603 A 20 TYR H A 17 LEU HBx 1.0 1.999 5.8850 935 603 A 8 PRO HBx A 20 TYR H 1.0 1.999 5.8850 936 603 A 5 PRO HGy A 20 TYR H 1.0 1.999 5.8850 937 604 A 33 ALA HB% A 30 GLU H 1.0 1.999 5.8450 938 604 A 21 GLU H A 24 LEU HBy 1.0 1.999 5.8450 939 604 A 30 GLU H A 32 ALA HB% 1.0 1.999 5.8450 940 605 A 21 GLU H A 17 LEU HDx% 1.0 1.989 5.4030 941 605 A 21 GLU H A 24 LEU HDx% 1.0 1.989 5.4030 942 606 A 20 TYR HE1 A 7 LYS HBx 1.0 2.000 5.9500 943 606 A 20 TYR HE2 A 7 LYS HD2 1.0 2.000 5.9500 944 606 A 20 TYR HE2 A 7 LYS HBx 1.0 2.000 5.9500 945 606 A 24 LEU HBx A 20 TYR HE1 1.0 2.000 5.9500 946 606 A 24 LEU HBx A 20 TYR HE2 1.0 2.000 5.9500 947 606 A 20 TYR HE1 A 7 LYS HD2 1.0 2.000 5.9500 948 606 A 7 LYS HBy A 20 TYR HE1 1.0 2.000 5.9500 949 606 A 7 LYS HBy A 20 TYR HE2 1.0 2.000 5.9500 950 607 A 24 LEU H A 25 ALA HA 1.0 1.984 6.7460 951 607 A 19 ALA HA A 24 LEU H 1.0 1.984 6.7460 952 608 A 27 TYR HBx A 24 LEU H 1.0 1.948 7.3440 953 608 A 24 LEU H A 20 TYR HBy 1.0 1.948 7.3440 954 609 A 34 TYR H A 2 PRO HBy 1.0 1.929 7.5690 955 609 A 16 LYS H A 15 GLU HGy 1.0 1.929 7.5690 956 610 A 8 PRO HDy A 16 LYS HGy 1.0 1.998 6.3000 957 610 A 8 PRO HDy A 7 LYS HD2 1.0 1.998 6.3000 958 610 A 8 PRO HDy A 7 LYS HBy 1.0 1.998 6.3000 959 610 A 8 PRO HDy A 7 LYS HBx 1.0 1.998 6.3000 960 611 A 30 GLU HBx A 27 TYR HBx 1.0 1.993 5.5310 961 611 A 27 TYR HBx A 23 GLU HBx 1.0 1.993 5.5310 962 611 A 27 TYR HBx A 2 PRO HBx 1.0 1.993 5.5310 963 611 A 2 PRO HBx A 2 PRO HDx 1.0 1.993 5.5310 964 612 A 4 LYS HA A 2 PRO HBx 1.0 1.999 6.1730 965 612 A 2 PRO HDy A 2 PRO HBx 1.0 1.999 6.1730 966 613 A 1 PRO HB2 A 2 PRO HDx 1.0 1.987 5.3670 967 613 A 1 PRO HB3 A 2 PRO HDx 1.0 1.987 5.3670 968 613 A 20 TYR HBy A 5 PRO HBy 1.0 1.987 5.3670 969 614 A 4 LYS HA A 5 PRO HGx 1.0 1.921 4.4890 970 614 A 2 PRO HDy A 2 PRO HGy 1.0 1.921 4.4890 971 615 A 27 TYR HD2 A 3 LYS HB2 1.0 1.970 5.0500 972 615 A 27 TYR HD2 A 2 PRO HGy 1.0 1.970 5.0500 973 615 A 27 TYR HD2 A 3 LYS HB3 1.0 1.970 5.0500 974 615 A 27 TYR HD1 A 3 LYS HB3 1.0 1.970 5.0500 975 615 A 27 TYR HD1 A 2 PRO HGy 1.0 1.970 5.0500 976 615 A 27 TYR HD1 A 3 LYS HB2 1.0 1.970 5.0500 977 616 A 7 LYS HGy A 7 LYS HEx 1.0 1.927 4.5470 978 616 A 7 LYS HGy A 7 LYS HEy 1.0 1.927 4.5470 979 617 A 7 LYS H A 7 LYS HEx 1.0 1.996 6.3360 980 617 A 7 LYS H A 8 PRO HDx 1.0 1.996 6.3360 981 617 A 7 LYS HEy A 7 LYS H 1.0 1.996 6.3360 982 617 A 7 LYS H A 4 LYS HEy 1.0 1.996 6.3360 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 3 LYS C A 4 LYS N A 4 LYS CA A 4 LYS C 1.0 -111.0 -40.20 PHI 2 2 A 4 LYS N A 4 LYS CA A 4 LYS C A 5 PRO N 1.0 120.0 190.02 PSI 3 3 A 4 LYS C A 5 PRO N A 5 PRO CA A 5 PRO C 1.0 -100.0 -31.24 PHI 4 4 A 5 PRO N A 5 PRO CA A 5 PRO C A 6 LYS N 1.0 115.0 186.56 PSI 5 5 A 5 PRO C A 6 LYS N A 6 LYS CA A 6 LYS C 1.0 -150.0 -6.98 PHI 6 6 A 6 LYS N A 6 LYS CA A 6 LYS C A 7 LYS N 1.0 90.0 152.34 PSI 7 7 A 6 LYS C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -160.0 -3.80 PHI 8 8 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 PRO N 1.0 90.0 213.54 PSI 9 9 A 7 LYS C A 8 PRO N A 8 PRO CA A 8 PRO C 1.0 -90.0 -21.44 PHI 10 10 A 13 THR N A 13 THR CA A 13 THR C A 14 PRO N 1.0 110.0 161.48 PSI 11 11 A 13 THR C A 14 PRO N A 14 PRO CA A 14 PRO C 1.0 -80.0 -30.08 PHI 12 12 A 14 PRO N A 14 PRO CA A 14 PRO C A 15 GLU N 1.0 -60.0 6.92 PSI 13 13 A 14 PRO C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -90.0 -43.08 PHI 14 14 A 15 GLU N A 15 GLU CA A 15 GLU C A 16 LYS N 1.0 -60.0 -10.10 PSI 15 15 A 15 GLU C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -90.0 -40.02 PHI 16 16 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 LEU N 1.0 -70.0 -3.58 PSI 17 17 A 16 LYS C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -90.0 -37.52 PHI 18 18 A 17 LEU N A 17 LEU CA A 17 LEU C A 18 ALA N 1.0 -70.0 1.10 PSI 19 19 A 17 LEU C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 -90.0 -30.82 PHI 20 20 A 18 ALA N A 18 ALA CA A 18 ALA C A 19 ALA N 1.0 -70.0 4.68 PSI 21 21 A 18 ALA C A 19 ALA N A 19 ALA CA A 19 ALA C 1.0 -90.0 -39.22 PHI 22 22 A 19 ALA N A 19 ALA CA A 19 ALA C A 20 TYR N 1.0 -70.0 -18.10 PSI 23 23 A 19 ALA C A 20 TYR N A 20 TYR CA A 20 TYR C 1.0 -90.0 -39.36 PHI 24 24 A 20 TYR N A 20 TYR CA A 20 TYR C A 21 GLU N 1.0 -70.0 -18.64 PSI 25 25 A 20 TYR C A 21 GLU N A 21 GLU CA A 21 GLU C 1.0 -80.0 -41.92 PHI 26 26 A 21 GLU N A 21 GLU CA A 21 GLU C A 22 LYS N 1.0 -70.0 -10.72 PSI 27 27 A 21 GLU C A 22 LYS N A 22 LYS CA A 22 LYS C 1.0 -90.0 -39.78 PHI 28 28 A 22 LYS N A 22 LYS CA A 22 LYS C A 23 GLU N 1.0 -70.0 -13.00 PSI 29 29 A 22 LYS C A 23 GLU N A 23 GLU CA A 23 GLU C 1.0 -90.0 -39.74 PHI 30 30 A 23 GLU N A 23 GLU CA A 23 GLU C A 24 LEU N 1.0 -70.0 -18.42 PSI 31 31 A 23 GLU C A 24 LEU N A 24 LEU CA A 24 LEU C 1.0 -90.0 -39.96 PHI 32 32 A 24 LEU N A 24 LEU CA A 24 LEU C A 25 ALA N 1.0 -60.0 -21.16 PSI 33 33 A 24 LEU C A 25 ALA N A 25 ALA CA A 25 ALA C 1.0 -90.0 -39.58 PHI 34 34 A 25 ALA N A 25 ALA CA A 25 ALA C A 26 ALA N 1.0 -60.0 -11.30 PSI 35 35 A 25 ALA C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -90.0 -39.40 PHI 36 36 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 TYR N 1.0 -60.0 -17.78 PSI 37 37 A 26 ALA C A 27 TYR N A 27 TYR CA A 27 TYR C 1.0 -90.0 -40.00 PHI 38 38 A 27 TYR N A 27 TYR CA A 27 TYR C A 28 GLU N 1.0 -70.0 -15.26 PSI 39 39 A 27 TYR C A 28 GLU N A 28 GLU CA A 28 GLU C 1.0 -90.0 -39.90 PHI 40 40 A 28 GLU N A 28 GLU CA A 28 GLU C A 29 LYS N 1.0 -60.0 -13.10 PSI 41 41 A 28 GLU C A 29 LYS N A 29 LYS CA A 29 LYS C 1.0 -90.0 -39.78 PHI 42 42 A 29 LYS N A 29 LYS CA A 29 LYS C A 30 GLU N 1.0 -70.0 -16.90 PSI 43 43 A 29 LYS C A 30 GLU N A 30 GLU CA A 30 GLU C 1.0 -90.0 -35.18 PHI 44 44 A 30 GLU N A 30 GLU CA A 30 GLU C A 31 LEU N 1.0 -70.0 -15.80 PSI 45 45 A 30 GLU C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -90.0 -39.72 PHI 46 46 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 ALA N 1.0 -70.0 -18.88 PSI 47 47 A 31 LEU C A 32 ALA N A 32 ALA CA A 32 ALA C 1.0 -90.0 -39.74 PHI 48 48 A 32 ALA N A 32 ALA CA A 32 ALA C A 33 ALA N 1.0 -60.0 -11.82 PSI stop_ save_