data_nef_c17997_2lk6 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 5249 BMRB 5271 BMRB 5260 BMRB 17979 PDB 1cfw PDB 1dhg PDB 1dcd PDB 1dxg 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 12 CYS SG 3 1 CD CD 1 29 CYS SG 3 1 CD CD 2 12 CYS SG 3 2 CD CD 2 29 CYS SG 3 2 CD CD 1 28 CYS SG 3 1 CD CD 2 28 CYS SG 3 2 CD CD 1 9 CYS SG 3 1 CD CD 2 9 CYS SG 3 2 CD CD 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 ALA start . . 2 A 2 ASN middle . . 3 A 3 GLU middle . . 4 A 4 GLY middle . false 5 A 5 ASP middle . . 6 A 6 VAL middle . . 7 A 7 TYR middle . . 8 A 8 LYS middle . . 9 A 9 CYS middle -HG . 10 A 10 GLU middle . . 11 A 11 LEU middle . . 12 A 12 CYS middle -HG . 13 A 13 GLY middle . false 14 A 14 GLN middle . . 15 A 15 VAL middle . . 16 A 16 VAL middle . . 17 A 17 LYS middle . . 18 A 18 VAL middle . . 19 A 19 LEU middle . . 20 A 20 GLU middle . . 21 A 21 GLU middle . . 22 A 22 GLY middle . false 23 A 23 GLY middle . false 24 A 24 GLY middle . false 25 A 25 THR middle . . 26 A 26 LEU middle . . 27 A 27 VAL middle . . 28 A 28 CYS middle -HG . 29 A 29 CYS middle -HG . 30 A 30 GLY middle . false 31 A 31 GLU middle . . 32 A 32 ASP middle . . 33 A 33 MET middle . . 34 A 34 VAL middle . . 35 A 35 LYS middle . . 36 A 36 GLN end . . 37 B 1 ALA start . . 38 B 2 ASN middle . . 39 B 3 GLU middle . . 40 B 4 GLY middle . false 41 B 5 ASP middle . . 42 B 6 VAL middle . . 43 B 7 TYR middle . . 44 B 8 LYS middle . . 45 B 9 CYS middle -HG . 46 B 10 GLU middle . . 47 B 11 LEU middle . . 48 B 12 CYS middle -HG . 49 B 13 GLY middle . false 50 B 14 GLN middle . . 51 B 15 VAL middle . . 52 B 16 VAL middle . . 53 B 17 LYS middle . . 54 B 18 VAL middle . . 55 B 19 LEU middle . . 56 B 20 GLU middle . . 57 B 21 GLU middle . . 58 B 22 GLY middle . false 59 B 23 GLY middle . false 60 B 24 GLY middle . false 61 B 25 THR middle . . 62 B 26 LEU middle . . 63 B 27 VAL middle . . 64 B 28 CYS middle -HG . 65 B 29 CYS middle -HG . 66 B 30 GLY middle . false 67 B 31 GLU middle . . 68 B 32 ASP middle . . 69 B 33 MET middle . . 70 B 34 VAL middle . . 71 B 35 LYS middle . . 72 B 36 GLN end . . 73 C 1 CD . . . 74 C 2 CD . . . 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 ALA HA H 1 3.970 0.000 A 1 ALA HB% H 1 1.502 0.005 A 2 ASN H H 1 8.353 0.001 A 2 ASN HA H 1 4.730 0.000 A 2 ASN HBx H 1 2.621 0.004 A 2 ASN HBy H 1 2.621 0.004 A 2 ASN HD2x H 1 6.762 0.000 A 2 ASN HD2y H 1 7.664 0.002 A 3 GLU H H 1 9.010 0.005 A 3 GLU HA H 1 3.325 0.001 A 3 GLU HBx H 1 1.817 0.008 A 3 GLU HBy H 1 1.817 0.008 A 3 GLU HGx H 1 1.912 0.002 A 3 GLU HGy H 1 2.186 0.006 A 4 GLY H H 1 8.927 0.004 A 4 GLY HAy H 1 4.301 0.007 A 4 GLY HAx H 1 3.342 0.008 A 5 ASP H H 1 7.941 0.004 A 5 ASP HA H 1 4.359 0.008 A 5 ASP HBy H 1 2.916 0.004 A 5 ASP HBx H 1 2.454 0.006 A 6 VAL H H 1 8.685 0.010 A 6 VAL HA H 1 4.815 0.009 A 6 VAL HB H 1 1.587 0.005 A 6 VAL HGx% H 1 0.587 0.010 A 6 VAL HGy% H 1 0.750 0.004 A 7 TYR H H 1 8.984 0.003 A 7 TYR HA H 1 4.790 0.001 A 7 TYR HBx H 1 2.246 0.001 A 7 TYR HBy H 1 2.609 0.001 A 7 TYR HDx H 1 6.444 0.000 A 7 TYR HDy H 1 6.445 0.003 A 7 TYR HEx H 1 6.629 0.002 A 7 TYR HEy H 1 6.634 0.001 A 8 LYS H H 1 8.818 0.002 A 8 LYS HA H 1 5.254 0.002 A 8 LYS HBx H 1 1.643 0.003 A 8 LYS HBy H 1 1.643 0.003 A 8 LYS HDx H 1 1.200 0.008 A 8 LYS HDy H 1 1.200 0.000 A 8 LYS HEx H 1 2.592 0.012 A 8 LYS HEy H 1 2.592 0.012 A 8 LYS HGx H 1 0.924 0.008 A 8 LYS HGy H 1 0.924 0.008 A 9 CYS H H 1 9.146 0.002 A 9 CYS HA H 1 4.655 0.000 A 9 CYS HBx H 1 2.390 0.004 A 9 CYS HBy H 1 3.140 0.005 A 10 GLU H H 1 9.366 0.007 A 10 GLU HA H 1 3.985 0.000 A 10 GLU HBx H 1 1.730 0.005 A 10 GLU HBy H 1 1.730 0.005 A 10 GLU HGx H 1 1.971 0.000 A 10 GLU HGy H 1 2.254 0.002 A 11 LEU H H 1 9.173 0.001 A 11 LEU HA H 1 4.242 0.002 A 11 LEU HBx H 1 1.690 0.004 A 11 LEU HBy H 1 1.690 0.004 A 11 LEU HDx% H 1 0.756 0.015 A 11 LEU HDy% H 1 0.756 0.015 A 11 LEU HG H 1 1.430 0.007 A 12 CYS H H 1 8.892 0.001 A 12 CYS HA H 1 4.872 0.000 A 12 CYS HBx H 1 2.634 0.008 A 12 CYS HBy H 1 3.148 0.007 A 13 GLY H H 1 7.567 0.003 A 13 GLY HAy H 1 4.080 0.006 A 13 GLY HAx H 1 3.511 0.000 A 14 GLN H H 1 8.446 0.005 A 14 GLN HA H 1 3.835 0.002 A 14 GLN HBx H 1 1.813 0.008 A 14 GLN HBy H 1 1.922 0.000 A 14 GLN HE2x H 1 5.908 0.001 A 14 GLN HE2y H 1 6.728 0.009 A 14 GLN HGx H 1 2.235 0.003 A 14 GLN HGy H 1 2.235 0.003 A 15 VAL H H 1 8.415 0.004 A 15 VAL HA H 1 4.999 0.004 A 15 VAL HB H 1 1.529 0.016 A 15 VAL HGx% H 1 0.764 0.012 A 15 VAL HGy% H 1 0.764 0.012 A 16 VAL H H 1 9.358 0.003 A 16 VAL HA H 1 5.372 0.003 A 16 VAL HB H 1 1.798 0.005 A 16 VAL HGy% H 1 0.567 0.015 A 17 LYS H H 1 9.044 0.008 A 17 LYS HA H 1 5.320 0.003 A 17 LYS HBx H 1 1.499 0.010 A 17 LYS HBy H 1 1.499 0.010 A 17 LYS HDx H 1 0.633 0.017 A 17 LYS HDy H 1 0.633 0.017 A 17 LYS HEx H 1 2.779 0.008 A 17 LYS HEy H 1 2.779 0.008 A 17 LYS HGx H 1 1.080 0.011 A 17 LYS HGy H 1 1.080 0.011 A 18 VAL H H 1 9.016 0.006 A 18 VAL HA H 1 3.910 0.003 A 18 VAL HB H 1 2.265 0.008 A 18 VAL HGx% H 1 0.522 0.005 A 18 VAL HGy% H 1 0.742 0.001 A 19 LEU H H 1 9.357 0.006 A 19 LEU HA H 1 4.348 0.001 A 19 LEU HBx H 1 1.380 0.010 A 19 LEU HBy H 1 1.380 0.010 A 19 LEU HDx% H 1 0.742 0.000 A 19 LEU HDy% H 1 0.752 0.000 A 19 LEU HG H 1 1.503 0.006 A 20 GLU H H 1 7.540 0.003 A 20 GLU HA H 1 4.536 0.000 A 20 GLU HBx H 1 1.621 0.005 A 20 GLU HBy H 1 1.621 0.005 A 20 GLU HGy H 1 2.109 0.003 A 20 GLU HGx H 1 1.937 0.003 A 21 GLU H H 1 8.710 0.004 A 21 GLU HA H 1 4.056 0.003 A 21 GLU HBx H 1 2.221 0.007 A 21 GLU HBy H 1 2.221 0.007 A 21 GLU HGx H 1 1.844 0.013 A 21 GLU HGy H 1 1.844 0.013 A 22 GLY H H 1 7.305 0.003 A 22 GLY HAx H 1 3.958 0.000 A 22 GLY HAy H 1 4.095 0.002 A 23 GLY H H 1 7.879 0.001 A 23 GLY HAx H 1 3.518 0.000 A 23 GLY HAy H 1 3.930 0.011 A 24 GLY H H 1 8.429 0.005 A 24 GLY HAx H 1 3.820 0.013 A 24 GLY HAy H 1 4.409 0.000 A 25 THR H H 1 8.758 0.006 A 25 THR HA H 1 4.007 0.004 A 25 THR HB H 1 3.782 0.004 A 25 THR HG2% H 1 0.921 0.003 A 26 LEU H H 1 8.014 0.010 A 26 LEU HA H 1 4.217 0.007 A 26 LEU HBx H 1 1.140 0.007 A 26 LEU HBy H 1 1.140 0.007 A 26 LEU HDx% H 1 -0.043 0.006 A 26 LEU HDy% H 1 0.503 0.005 A 26 LEU HG H 1 0.924 0.004 A 27 VAL H H 1 9.224 0.004 A 27 VAL HA H 1 4.215 0.011 A 27 VAL HB H 1 1.387 0.006 A 27 VAL HGx% H 1 0.421 0.002 A 27 VAL HGy% H 1 0.650 0.008 A 28 CYS H H 1 8.314 0.003 A 28 CYS HA H 1 4.436 0.007 A 28 CYS HBx H 1 2.417 0.013 A 28 CYS HBy H 1 2.797 0.003 A 29 CYS H H 1 7.334 0.002 A 29 CYS HA H 1 3.824 0.008 A 29 CYS HBy H 1 2.992 0.004 A 29 CYS HBx H 1 2.894 0.004 A 30 GLY H H 1 8.120 0.004 A 30 GLY HAy H 1 3.847 0.008 A 30 GLY HAx H 1 3.223 0.005 A 31 GLU H H 1 7.787 0.002 A 31 GLU HA H 1 4.597 0.000 A 31 GLU HBy H 1 2.154 0.003 A 31 GLU HBx H 1 1.603 0.003 A 31 GLU HGx H 1 1.910 0.000 A 31 GLU HGy H 1 2.011 0.005 A 32 ASP H H 1 8.800 0.004 A 32 ASP HA H 1 4.428 0.004 A 32 ASP HBx H 1 2.402 0.002 A 32 ASP HBy H 1 2.402 0.002 A 33 MET H H 1 8.238 0.005 A 33 MET HA H 1 4.356 0.001 A 33 MET HBy H 1 2.084 0.008 A 33 MET HBx H 1 1.895 0.008 A 33 MET HE% H 1 1.445 0.009 A 33 MET HGx H 1 1.645 0.007 A 33 MET HGy H 1 1.645 0.007 A 34 VAL H H 1 9.195 0.005 A 34 VAL HA H 1 4.046 0.002 A 34 VAL HB H 1 1.859 0.013 A 34 VAL HGx% H 1 0.950 0.008 A 34 VAL HGy% H 1 0.774 0.009 A 35 LYS H H 1 8.831 0.007 A 35 LYS HA H 1 3.193 0.002 A 35 LYS HBx H 1 1.408 0.008 A 35 LYS HBy H 1 1.408 0.008 A 35 LYS HDy H 1 0.676 0.000 A 35 LYS HEx H 1 2.755 0.001 A 35 LYS HEy H 1 2.755 0.001 A 35 LYS HGx H 1 1.219 0.001 A 35 LYS HGy H 1 1.219 0.001 A 36 GLN H H 1 8.691 0.006 A 36 GLN HA H 1 3.871 0.006 A 36 GLN HBx H 1 1.469 0.007 A 36 GLN HBy H 1 1.469 0.007 A 36 GLN HE2x H 1 6.626 0.004 A 36 GLN HE2y H 1 7.410 0.007 A 36 GLN HGy H 1 2.009 0.015 A 36 GLN HGx H 1 1.904 0.003 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 1 ALA HB% A 5 ASP H 1.0 . 7.0 2 2 A 1 ALA HB% A 5 ASP HBy 1.0 . 7.0 3 3 A 1 ALA HB% A 7 TYR HEy 1.0 . 3.4 4 4 A 1 ALA HB% A 7 TYR HDy 1.0 . 5.2 5 5 A 1 ALA HB% A 26 LEU HDx% 1.0 . 6.5 6 6 A 1 ALA HB% B 14 GLN HE2x 1.0 . 7.0 7 7 A 1 ALA HB% B 14 GLN HE2y 1.0 . 7.0 8 8 A 2 ASN HA A 3 GLU H 1.0 . 3.4 9 9 A 2 ASN HA A 18 VAL HGx% 1.0 . 7.0 10 10 A 2 ASN HA A 21 GLU HBx 1.0 . 7.0 11 10 A 2 ASN HA A 21 GLU HBy 1.0 . 7.0 12 11 A 2 ASN HA A 21 GLU HGx 1.0 . 7.0 13 11 A 2 ASN HA A 21 GLU HGy 1.0 . 7.0 14 12 A 3 GLU H A 3 GLU HBx 1.0 . 3.2 15 12 A 3 GLU H A 3 GLU HBy 1.0 . 3.2 16 13 A 3 GLU H A 3 GLU HGx 1.0 . 4.9 17 14 A 3 GLU HA A 3 GLU HGy 1.0 . 3.1 18 15 A 3 GLU HA A 18 VAL HB 1.0 . 6.0 19 16 A 18 VAL HGx% A 3 GLU HA 1.0 . 3.4 20 17 A 3 GLU HA A 18 VAL HGy% 1.0 . 7.0 21 18 A 5 ASP H A 3 GLU HBx 1.0 . 5.3 22 18 A 5 ASP H A 3 GLU HBy 1.0 . 5.3 23 19 A 4 GLY H A 4 GLY HAy 1.0 . 2.4 24 20 A 5 ASP H A 4 GLY H 1.0 . 3.1 25 21 A 4 GLY H A 17 LYS HBx 1.0 . 7.0 26 21 A 4 GLY H A 17 LYS HBy 1.0 . 7.0 27 22 A 4 GLY H A 17 LYS HGx 1.0 . 7.0 28 22 A 4 GLY H A 17 LYS HGy 1.0 . 7.0 29 23 A 18 VAL HB A 4 GLY H 1.0 . 4.2 30 24 A 18 VAL HGx% A 4 GLY H 1.0 . 7.0 31 25 A 18 VAL HGy% A 4 GLY H 1.0 . 7.0 32 26 A 5 ASP H A 4 GLY HAy 1.0 . 3.6 33 27 A 4 GLY HAy A 17 LYS HBx 1.0 . 7.0 34 27 A 4 GLY HAy A 17 LYS HBy 1.0 . 7.0 35 28 A 4 GLY HAy A 17 LYS HGx 1.0 . 6.6 36 28 A 4 GLY HAy A 17 LYS HGy 1.0 . 6.6 37 29 A 4 GLY HAy A 17 LYS HEx 1.0 . 6.2 38 29 A 4 GLY HAy A 17 LYS HEy 1.0 . 6.2 39 30 A 4 GLY HAx A 17 LYS HEx 1.0 . 7.0 40 30 A 17 LYS HEy A 4 GLY HAx 1.0 . 7.0 41 31 A 5 ASP H A 5 ASP HBy 1.0 . 3.0 42 32 A 5 ASP H A 5 ASP HBx 1.0 . 3.5 43 33 A 5 ASP H A 6 VAL H 1.0 . 4.9 44 34 A 5 ASP H A 6 VAL HGy% 1.0 . 7.0 45 35 A 5 ASP H A 7 TYR HEy 1.0 . 6.0 46 36 A 5 ASP H A 17 LYS HGx 1.0 . 7.0 47 36 A 5 ASP H A 17 LYS HGy 1.0 . 7.0 48 37 A 5 ASP H A 18 VAL H 1.0 . 4.4 49 38 A 5 ASP H A 18 VAL HB 1.0 . 4.0 50 39 A 5 ASP H A 18 VAL HGx% 1.0 . 7.0 51 40 A 6 VAL H A 5 ASP HA 1.0 . 3.3 52 41 A 5 ASP HBy A 6 VAL H 1.0 . 4.3 53 42 A 5 ASP HBy A 7 TYR HEy 1.0 . 4.0 54 43 A 5 ASP HBy A 7 TYR HDy 1.0 . 5.1 55 44 A 5 ASP HBy A 18 VAL HB 1.0 . 5.3 56 45 A 5 ASP HBy A 18 VAL HGx% 1.0 . 6.1 57 46 A 5 ASP HBy A 18 VAL HGy% 1.0 . 4.4 58 47 A 5 ASP HBx A 6 VAL H 1.0 . 3.5 59 48 A 7 TYR HEy A 5 ASP HBx 1.0 . 4.0 60 49 A 7 TYR HDy A 5 ASP HBx 1.0 . 5.0 61 50 A 5 ASP O A 18 VAL N 1.0 . 3.0 62 51 A 18 VAL H A 5 ASP O 1.0 . 2.0 63 52 A 6 VAL H A 6 VAL HB 1.0 . 2.6 64 53 A 7 TYR HEy A 6 VAL H 1.0 . 5.4 65 54 A 7 TYR HDy A 6 VAL H 1.0 . 6.0 66 55 A 6 VAL H A 18 VAL H 1.0 . 4.6 67 56 A 6 VAL H A 35 LYS HEx 1.0 . 7.0 68 56 A 6 VAL H A 35 LYS HEy 1.0 . 7.0 69 57 A 6 VAL HA A 7 TYR H 1.0 . 3.6 70 58 A 6 VAL HA A 7 TYR HBx 1.0 . 6.0 71 59 A 6 VAL HA A 17 LYS HA 1.0 . 3.9 72 60 A 6 VAL HA A 17 LYS HGx 1.0 . 7.0 73 60 A 17 LYS HGy A 6 VAL HA 1.0 . 7.0 74 61 A 7 TYR H A 6 VAL HGx% 1.0 . 3.6 75 62 A 6 VAL HGx% A 8 LYS HBx 1.0 . 4.4 76 62 A 6 VAL HGx% A 8 LYS HBy 1.0 . 4.4 77 63 A 6 VAL HGx% A 15 VAL HA 1.0 . 7.0 78 64 A 17 LYS HA A 6 VAL HGx% 1.0 . 4.7 79 65 A 6 VAL HGx% A 36 GLN HGy 1.0 . 3.4 80 66 A 6 VAL HGx% A 36 GLN HGx 1.0 . 3.5 81 67 A 6 VAL HGx% A 36 GLN HE2y 1.0 . 7.0 82 68 A 6 VAL HGy% A 7 TYR H 1.0 . 7.0 83 69 A 6 VAL HGy% A 17 LYS HA 1.0 . 3.4 84 70 A 6 VAL HGy% A 17 LYS HEx 1.0 . 8.0 85 70 A 17 LYS HEy A 6 VAL HGy% 1.0 . 8.0 86 71 A 6 VAL O A 36 GLN N 1.0 . 3.0 87 72 A 6 VAL O A 36 GLN H 1.0 . 2.0 88 73 A 7 TYR N A 16 VAL O 1.0 . 3.0 89 74 A 7 TYR H A 7 TYR HBx 1.0 . 3.7 90 75 A 7 TYR HDy A 7 TYR H 1.0 . 5.3 91 76 A 7 TYR H A 16 VAL H 1.0 . 3.8 92 77 A 7 TYR H A 16 VAL O 1.0 . 2.0 93 78 A 7 TYR H A 17 LYS HA 1.0 . 5.9 94 79 A 7 TYR H A 17 LYS HBx 1.0 . 7.0 95 79 A 17 LYS HBy A 7 TYR H 1.0 . 7.0 96 80 A 7 TYR HA A 7 TYR HDx 1.0 . 5.7 97 81 A 7 TYR HA A 35 LYS HA 1.0 . 4.0 98 82 A 7 TYR HA A 35 LYS HGx 1.0 . 7.0 99 82 A 7 TYR HA A 35 LYS HGy 1.0 . 7.0 100 83 A 36 GLN HGy A 7 TYR HA 1.0 . 6.0 101 84 A 36 GLN HGx A 7 TYR HA 1.0 . 6.0 102 85 A 7 TYR HEy A 7 TYR HBx 1.0 . 5.4 103 86 A 7 TYR HDy A 7 TYR HBx 1.0 . 3.3 104 87 A 7 TYR HBx A 8 LYS H 1.0 . 4.7 105 88 A 26 LEU HDx% A 7 TYR HBx 1.0 . 4.7 106 89 A 7 TYR HDx A 7 TYR HBy 1.0 . 3.3 107 90 A 8 LYS H A 7 TYR HBy 1.0 . 4.5 108 91 A 7 TYR HBy A 16 VAL HGy% 1.0 . 3.8 109 92 A 26 LEU HDx% A 7 TYR HBy 1.0 . 7.0 110 93 A 7 TYR HBy A 33 MET HBx 1.0 . 4.1 111 94 A 7 TYR HBy A 33 MET HE% 1.0 . 6.3 112 95 A 7 TYR HDx A 8 LYS H 1.0 . 5.2 113 96 A 7 TYR HDx A 26 LEU HG 1.0 . 5.2 114 97 A 7 TYR HDx A 33 MET HBy 1.0 . 6.0 115 98 A 7 TYR HDx A 33 MET HBx 1.0 . 4.5 116 99 A 7 TYR HDx A 33 MET HGx 1.0 . 7.0 117 99 A 7 TYR HDx A 33 MET HGy 1.0 . 7.0 118 100 A 7 TYR HDx A 33 MET HE% 1.0 . 5.6 119 101 A 7 TYR HDx A 34 VAL H 1.0 . 6.0 120 102 A 7 TYR HDx A 34 VAL HA 1.0 . 6.0 121 103 A 7 TYR HDx A 35 LYS H 1.0 . 5.8 122 104 A 33 MET HBx A 7 TYR HEx 1.0 . 4.1 123 105 A 34 VAL HA A 7 TYR HEx 1.0 . 6.0 124 106 A 35 LYS H A 7 TYR HEx 1.0 . 4.5 125 107 A 7 TYR HEx A 35 LYS HGx 1.0 . 5.3 126 107 A 35 LYS HGy A 7 TYR HEx 1.0 . 5.3 127 108 A 7 TYR HEy A 26 LEU HDx% 1.0 . 7.0 128 109 A 7 TYR HEy A 35 LYS HA 1.0 . 5.6 129 110 A 7 TYR HEy A 35 LYS HEx 1.0 . 7.0 130 110 A 7 TYR HEy A 35 LYS HEy 1.0 . 7.0 131 111 A 7 TYR HDy A 16 VAL HGy% 1.0 . 4.3 132 112 A 7 TYR HDy A 18 VAL HGy% 1.0 . 3.4 133 113 A 7 TYR HDy A 26 LEU HDx% 1.0 . 4.4 134 114 A 7 TYR HDy A 35 LYS HA 1.0 . 5.2 135 115 A 7 TYR HDy A 35 LYS HGx 1.0 . 7.0 136 115 A 7 TYR HDy A 35 LYS HGy 1.0 . 7.0 137 116 A 7 TYR O A 16 VAL N 1.0 . 3.0 138 117 A 16 VAL H A 7 TYR O 1.0 . 2.0 139 118 A 8 LYS N A 34 VAL O 1.0 . 3.0 140 119 A 8 LYS H A 34 VAL H 1.0 . 3.3 141 120 A 8 LYS H A 34 VAL O 1.0 . 2.0 142 121 A 8 LYS HA A 8 LYS HDy 1.0 . 4.8 143 121 A 8 LYS HA A 8 LYS HDx 1.0 . 4.8 144 122 A 8 LYS HA A 9 CYS H 1.0 . 3.0 145 123 A 15 VAL HA A 8 LYS HA 1.0 . 4.3 146 124 A 8 LYS HA A 15 VAL HGx% 1.0 . 5.0 147 124 A 8 LYS HA A 15 VAL HGy% 1.0 . 5.0 148 125 A 8 LYS HBx A 8 LYS HEx 1.0 . 8.0 149 125 A 8 LYS HBy A 8 LYS HEx 1.0 . 8.0 150 125 A 8 LYS HEy A 8 LYS HBx 1.0 . 8.0 151 125 A 8 LYS HBy A 8 LYS HEy 1.0 . 8.0 152 126 A 9 CYS H A 8 LYS HBx 1.0 . 5.0 153 126 A 8 LYS HBy A 9 CYS H 1.0 . 5.0 154 127 A 9 CYS HA A 8 LYS HBx 1.0 . 7.0 155 127 A 8 LYS HBy A 9 CYS HA 1.0 . 7.0 156 128 A 15 VAL HA A 8 LYS HBx 1.0 . 7.0 157 128 A 8 LYS HBy A 15 VAL HA 1.0 . 7.0 158 129 A 8 LYS HBy A 15 VAL HGx% 1.0 . 5.8 159 129 A 8 LYS HBx A 15 VAL HGx% 1.0 . 5.8 160 129 A 15 VAL HGy% A 8 LYS HBx 1.0 . 5.8 161 129 A 8 LYS HBy A 15 VAL HGy% 1.0 . 5.8 162 130 A 36 GLN HE2x A 8 LYS HBx 1.0 . 7.0 163 130 A 8 LYS HBy A 36 GLN HE2x 1.0 . 7.0 164 131 A 36 GLN HE2y A 8 LYS HBx 1.0 . 7.0 165 131 A 8 LYS HBy A 36 GLN HE2y 1.0 . 7.0 166 132 A 9 CYS H A 8 LYS HGx 1.0 . 6.7 167 132 A 9 CYS H A 8 LYS HGy 1.0 . 6.7 168 133 A 9 CYS HA A 8 LYS HGx 1.0 . 7.0 169 133 A 9 CYS HA A 8 LYS HGy 1.0 . 7.0 170 134 A 8 LYS HDx A 9 CYS H 1.0 . 4.8 171 135 A 8 LYS HDx A 13 GLY H 1.0 . 6.0 172 136 A 9 CYS H A 8 LYS HDy 1.0 . 7.0 173 136 A 8 LYS HDx A 9 CYS H 1.0 . 7.0 174 137 A 15 VAL HA A 8 LYS HDy 1.0 . 7.0 175 137 A 15 VAL HA A 8 LYS HDx 1.0 . 7.0 176 138 A 36 GLN HGy A 8 LYS HDy 1.0 . 6.4 177 138 A 36 GLN HGy A 8 LYS HDx 1.0 . 6.4 178 139 A 36 GLN HGx A 8 LYS HDy 1.0 . 7.0 179 139 A 36 GLN HGx A 8 LYS HDx 1.0 . 7.0 180 140 A 36 GLN HE2x A 8 LYS HDy 1.0 . 7.0 181 140 A 8 LYS HDx A 36 GLN HE2x 1.0 . 7.0 182 141 A 10 GLU HA A 8 LYS HEx 1.0 . 7.0 183 141 A 8 LYS HEy A 10 GLU HA 1.0 . 7.0 184 142 A 13 GLY H A 8 LYS HEx 1.0 . 7.0 185 142 A 8 LYS HEy A 13 GLY H 1.0 . 7.0 186 143 A 13 GLY HAy A 8 LYS HEx 1.0 . 6.2 187 143 A 8 LYS HEy A 13 GLY HAy 1.0 . 6.2 188 144 A 13 GLY HAx A 8 LYS HEx 1.0 . 7.0 189 144 A 8 LYS HEy A 13 GLY HAx 1.0 . 7.0 190 145 A 8 LYS HEx A 15 VAL HGx% 1.0 . 9.4 191 145 A 8 LYS HEy A 15 VAL HGx% 1.0 . 9.4 192 145 A 15 VAL HGy% A 8 LYS HEx 1.0 . 9.4 193 145 A 15 VAL HGy% A 8 LYS HEy 1.0 . 9.4 194 146 A 36 GLN HE2y A 8 LYS HEx 1.0 . 7.0 195 146 A 36 GLN HE2y A 8 LYS HEy 1.0 . 7.0 196 147 A 8 LYS O A 34 VAL N 1.0 . 3.0 197 148 A 34 VAL H A 8 LYS O 1.0 . 2.0 198 149 A 9 CYS N A 14 GLN O 1.0 . 3.0 199 150 A 9 CYS H A 9 CYS HBx 1.0 . 4.0 200 151 A 9 CYS H A 9 CYS HBy 1.0 . 3.8 201 152 A 9 CYS H A 14 GLN H 1.0 . 4.0 202 153 A 9 CYS H A 14 GLN O 1.0 . 2.0 203 154 A 33 MET HBy A 9 CYS HA 1.0 . 6.0 204 155 A 9 CYS HBx A 10 GLU H 1.0 . 5.2 205 156 A 13 GLY H A 9 CYS HBx 1.0 . 3.6 206 157 A 9 CYS HBx A 14 GLN H 1.0 . 6.0 207 158 A 9 CYS HBx A 33 MET HGx 1.0 . 3.7 208 158 A 33 MET HGy A 9 CYS HBx 1.0 . 3.7 209 159 A 9 CYS HBy A 10 GLU H 1.0 . 6.0 210 160 A 13 GLY H A 9 CYS HBy 1.0 . 2.8 211 161 A 9 CYS HBy A 14 GLN H 1.0 . 5.5 212 162 A 9 CYS HBy A 14 GLN HBx 1.0 . 4.4 213 163 A 33 MET HBy A 9 CYS HBy 1.0 . 6.0 214 164 A 9 CYS HBy A 33 MET HGx 1.0 . 5.3 215 164 A 33 MET HGy A 9 CYS HBy 1.0 . 5.3 216 165 A 9 CYS SG A 12 CYS N 1.0 . 3.8 217 166 A 9 CYS SG A 12 CYS H 1.0 . 2.9 218 167 A 9 CYS SG A 12 CYS SG 1.0 . 4.0 219 168 A 9 CYS SG A 28 CYS SG 1.0 . 4.0 220 169 A 9 CYS SG A 29 CYS SG 1.0 . 4.0 221 170 A 10 GLU H A 10 GLU HBx 1.0 . 3.7 222 170 A 10 GLU H A 10 GLU HBy 1.0 . 3.7 223 171 A 10 GLU H A 10 GLU HGx 1.0 . 3.4 224 172 A 10 GLU H A 10 GLU HGy 1.0 . 3.9 225 173 A 10 GLU H A 11 LEU H 1.0 . 4.0 226 174 A 10 GLU H A 34 VAL HGx% 1.0 . 7.0 227 175 A 10 GLU HA A 10 GLU HGx 1.0 . 3.2 228 176 A 10 GLU HGx A 11 LEU H 1.0 . 6.0 229 177 A 10 GLU HGx A 34 VAL HGx% 1.0 . 6.4 230 178 A 10 GLU HGx A 34 VAL HGy% 1.0 . 3.8 231 179 A 10 GLU HGy A 34 VAL HGx% 1.0 . 4.9 232 180 A 11 LEU H A 11 LEU HG 1.0 . 4.3 233 181 A 11 LEU H A 11 LEU HDx% 1.0 . 9.4 234 181 A 11 LEU H A 11 LEU HDy% 1.0 . 9.4 235 182 A 12 CYS H A 11 LEU H 1.0 . 4.9 236 183 A 13 GLY H A 11 LEU H 1.0 . 3.4 237 184 A 11 LEU HG A 11 LEU HA 1.0 . 3.3 238 185 A 12 CYS H A 11 LEU HBx 1.0 . 6.5 239 185 A 12 CYS H A 11 LEU HBy 1.0 . 6.5 240 186 A 13 GLY H A 11 LEU HBx 1.0 . 4.7 241 186 A 13 GLY H A 11 LEU HBy 1.0 . 4.7 242 187 A 29 CYS HBy A 11 LEU HBx 1.0 . 7.0 243 187 A 11 LEU HBy A 29 CYS HBy 1.0 . 7.0 244 188 A 29 CYS HBx A 11 LEU HBx 1.0 . 5.7 245 188 A 11 LEU HBy A 29 CYS HBx 1.0 . 5.7 246 189 A 12 CYS H A 11 LEU HG 1.0 . 6.0 247 190 A 11 LEU HG A 29 CYS HBx 1.0 . 4.3 248 191 A 29 CYS HA A 11 LEU HDx% 1.0 . 8.4 249 191 A 11 LEU HDy% A 29 CYS HA 1.0 . 8.4 250 192 A 29 CYS HBy A 11 LEU HDx% 1.0 . 8.4 251 192 A 11 LEU HDy% A 29 CYS HBy 1.0 . 8.4 252 193 A 29 CYS HBx A 11 LEU HDx% 1.0 . 6.0 253 193 A 11 LEU HDy% A 29 CYS HBx 1.0 . 6.0 254 194 A 13 GLY H A 12 CYS H 1.0 . 3.7 255 195 A 12 CYS HBx B 23 GLY H 1.0 . 6.0 256 196 A 12 CYS HBx B 24 GLY H 1.0 . 6.0 257 197 B 23 GLY H A 12 CYS HBy 1.0 . 5.6 258 198 B 24 GLY H A 12 CYS HBy 1.0 . 5.9 259 199 A 12 CYS SG A 14 GLN N 1.0 . 3.8 260 200 A 14 GLN H A 12 CYS SG 1.0 . 2.9 261 201 A 12 CYS SG A 28 CYS SG 1.0 . 4.0 262 202 A 12 CYS SG A 29 CYS SG 1.0 . 4.0 263 203 A 13 GLY H A 14 GLN H 1.0 . 3.6 264 204 A 13 GLY H A 14 GLN HE2x 1.0 . 6.0 265 205 A 14 GLN H A 14 GLN HBx 1.0 . 2.7 266 206 A 14 GLN H A 14 GLN HGx 1.0 . 7.0 267 206 A 14 GLN H A 14 GLN HGy 1.0 . 7.0 268 207 A 14 GLN H A 14 GLN HE2x 1.0 . 6.0 269 208 A 14 GLN H A 14 GLN HE2y 1.0 . 6.0 270 209 A 14 GLN HBx A 14 GLN HA 1.0 . 2.4 271 210 A 14 GLN HA A 15 VAL HGx% 1.0 . 8.4 272 210 A 15 VAL HGy% A 14 GLN HA 1.0 . 8.4 273 211 A 14 GLN HBx A 14 GLN HE2x 1.0 . 3.4 274 212 A 14 GLN HBx A 14 GLN HE2y 1.0 . 3.8 275 213 A 15 VAL H A 14 GLN HGx 1.0 . 7.0 276 213 A 14 GLN HGy A 15 VAL H 1.0 . 7.0 277 214 A 14 GLN HE2x A 33 MET HGx 1.0 . 7.0 278 214 A 33 MET HGy A 14 GLN HE2x 1.0 . 7.0 279 215 A 14 GLN HE2x B 1 ALA HB1 1.0 . 7.0 280 216 A 14 GLN HE2x B 25 THR HA 1.0 . 6.0 281 217 A 14 GLN HE2x B 26 LEU HBx 1.0 . 7.0 282 217 A 14 GLN HE2x B 26 LEU HBy 1.0 . 7.0 283 218 A 14 GLN HE2x B 26 LEU HG 1.0 . 6.0 284 219 A 14 GLN HE2x B 26 LEU HD11 1.0 . 7.0 285 220 A 14 GLN HE2x B 26 LEU HD21 1.0 . 4.7 286 221 A 14 GLN HE2y B 1 ALA HB1 1.0 . 7.0 287 222 B 24 GLY H A 14 GLN HE2y 1.0 . 6.0 288 223 A 14 GLN HE2y B 26 LEU H 1.0 . 6.0 289 224 A 14 GLN HE2y B 26 LEU HBx 1.0 . 6.7 290 224 A 14 GLN HE2y B 26 LEU HBy 1.0 . 6.7 291 225 A 14 GLN HE2y B 26 LEU HG 1.0 . 6.0 292 226 A 14 GLN HE2y B 26 LEU HD11 1.0 . 7.0 293 227 A 14 GLN HE2y B 26 LEU HD21 1.0 . 5.6 294 228 A 15 VAL N B 20 GLU O 1.0 . 3.0 295 229 A 15 VAL H A 15 VAL HB 1.0 . 3.0 296 230 A 16 VAL H A 15 VAL H 1.0 . 5.8 297 231 A 16 VAL HGy% A 15 VAL H 1.0 . 7.0 298 232 A 15 VAL H B 20 GLU H 1.0 . 3.5 299 233 A 15 VAL H B 20 GLU HGy 1.0 . 5.6 300 234 A 15 VAL H B 20 GLU O 1.0 . 2.0 301 235 A 15 VAL HA A 16 VAL H 1.0 . 3.2 302 236 A 15 VAL HA A 16 VAL HGy% 1.0 . 7.0 303 237 A 15 VAL HB B 20 GLU H 1.0 . 4.6 304 238 A 16 VAL HA A 15 VAL HGx% 1.0 . 7.7 305 238 A 15 VAL HGy% A 16 VAL HA 1.0 . 7.7 306 239 B 20 GLU H A 15 VAL HGx% 1.0 . 8.4 307 239 A 15 VAL HGy% B 20 GLU H 1.0 . 8.4 308 240 B 20 GLU HA A 15 VAL HGx% 1.0 . 8.4 309 240 A 15 VAL HGy% B 20 GLU HA 1.0 . 8.4 310 241 A 15 VAL O B 19 LEU N 1.0 . 3.0 311 242 A 15 VAL O B 19 LEU H 1.0 . 2.0 312 243 A 15 VAL O B 20 GLU N 1.0 . 3.0 313 244 B 20 GLU H A 15 VAL O 1.0 . 2.0 314 245 A 16 VAL H A 16 VAL HGy% 1.0 . 4.3 315 246 A 16 VAL HA A 16 VAL HB 1.0 . 2.4 316 247 A 16 VAL HA A 17 LYS H 1.0 . 3.1 317 248 A 26 LEU HDx% A 16 VAL HA 1.0 . 7.0 318 249 A 16 VAL HA B 18 VAL HA 1.0 . 3.4 319 250 A 16 VAL HA B 19 LEU H 1.0 . 2.7 320 251 A 16 VAL HB A 17 LYS H 1.0 . 3.2 321 252 A 26 LEU HDx% A 16 VAL HB 1.0 . 7.0 322 253 A 16 VAL HB B 18 VAL HA 1.0 . 2.4 323 254 A 26 LEU HDx% A 16 VAL HGy% 1.0 . 4.4 324 255 A 17 LYS N B 17 LYS O 1.0 . 3.0 325 256 A 17 LYS H A 17 LYS HGx 1.0 . 7.0 326 256 A 17 LYS HGy A 17 LYS H 1.0 . 7.0 327 257 A 17 LYS H A 17 LYS HDx 1.0 . 6.0 328 257 A 17 LYS H A 17 LYS HDy 1.0 . 6.0 329 258 A 17 LYS H A 18 VAL HA 1.0 . 5.1 330 259 A 17 LYS H B 17 LYS O 1.0 . 2.0 331 260 A 17 LYS HA A 17 LYS HDx 1.0 . 6.7 332 260 A 17 LYS HA A 17 LYS HDy 1.0 . 6.7 333 261 A 18 VAL H A 17 LYS HA 1.0 . 2.8 334 262 A 17 LYS HBy A 17 LYS HEx 1.0 . 6.6 335 262 A 17 LYS HBx A 17 LYS HEx 1.0 . 6.6 336 262 A 17 LYS HEy A 17 LYS HBx 1.0 . 6.6 337 262 A 17 LYS HBy A 17 LYS HEy 1.0 . 6.6 338 263 A 18 VAL H A 17 LYS HBx 1.0 . 4.4 339 263 A 17 LYS HBy A 18 VAL H 1.0 . 4.4 340 264 A 18 VAL HB A 17 LYS HBx 1.0 . 7.0 341 264 A 18 VAL HB A 17 LYS HBy 1.0 . 7.0 342 265 A 18 VAL H A 17 LYS HGx 1.0 . 6.6 343 265 A 17 LYS HGy A 18 VAL H 1.0 . 6.6 344 266 A 18 VAL HA A 17 LYS HDx 1.0 . 4.7 345 266 A 17 LYS HDy A 18 VAL HA 1.0 . 4.7 346 267 A 17 LYS O B 17 LYS N 1.0 . 3.0 347 268 A 17 LYS O B 17 LYS H 1.0 . 2.0 348 269 A 18 VAL HB A 18 VAL H 1.0 . 2.8 349 270 A 18 VAL H A 19 LEU H 1.0 . 4.5 350 271 A 18 VAL HB A 18 VAL HA 1.0 . 3.0 351 272 A 18 VAL HA A 19 LEU H 1.0 . 3.3 352 273 A 18 VAL HA B 16 VAL HA 1.0 . 3.4 353 274 A 18 VAL HA B 16 VAL HB 1.0 . 2.4 354 275 A 18 VAL HGx% A 19 LEU HA 1.0 . 7.0 355 276 A 18 VAL HGx% A 20 GLU H 1.0 . 7.0 356 277 A 18 VAL HGx% A 20 GLU HA 1.0 . 7.0 357 278 A 18 VAL HGx% A 21 GLU HA 1.0 . 3.6 358 279 A 18 VAL HGx% A 22 GLY H 1.0 . 7.0 359 280 A 26 LEU HDx% A 18 VAL HGy% 1.0 . 4.4 360 281 A 19 LEU N B 15 VAL O 1.0 . 3.0 361 282 A 19 LEU H A 19 LEU HG 1.0 . 3.9 362 283 A 19 LEU H A 19 LEU HDx% 1.0 . 9.4 363 283 A 19 LEU H A 19 LEU HDy% 1.0 . 9.4 364 284 A 19 LEU H A 20 GLU H 1.0 . 4.3 365 285 A 19 LEU H B 15 VAL O 1.0 . 2.0 366 286 A 19 LEU H B 16 VAL HA 1.0 . 2.7 367 287 A 19 LEU HA A 20 GLU HBx 1.0 . 7.0 368 287 A 19 LEU HA A 20 GLU HBy 1.0 . 7.0 369 288 A 20 GLU H A 19 LEU HBx 1.0 . 6.6 370 288 A 20 GLU H A 19 LEU HBy 1.0 . 6.6 371 289 B 15 VAL O A 20 GLU N 1.0 . 3.0 372 290 A 20 GLU H A 20 GLU HGx 1.0 . 5.5 373 291 A 20 GLU H B 15 VAL H 1.0 . 3.5 374 292 A 20 GLU H B 15 VAL HB 1.0 . 4.6 375 293 A 20 GLU H B 15 VAL HG11 1.0 . 8.4 376 293 A 20 GLU H B 15 VAL HG21 1.0 . 8.4 377 294 A 20 GLU H B 15 VAL O 1.0 . 2.0 378 295 A 20 GLU HA A 21 GLU H 1.0 . 3.3 379 296 A 20 GLU HA A 21 GLU HGx 1.0 . 7.0 380 296 A 21 GLU HGy A 20 GLU HA 1.0 . 7.0 381 297 A 20 GLU HA B 15 VAL HG11 1.0 . 8.4 382 297 A 20 GLU HA B 15 VAL HG21 1.0 . 8.4 383 298 A 20 GLU HGx B 15 VAL H 1.0 . 5.6 384 299 A 20 GLU O B 15 VAL N 1.0 . 3.0 385 300 B 15 VAL H A 20 GLU O 1.0 . 2.0 386 301 A 21 GLU H A 21 GLU HBx 1.0 . 3.6 387 301 A 21 GLU HBy A 21 GLU H 1.0 . 3.6 388 302 A 21 GLU H A 21 GLU HGx 1.0 . 4.9 389 302 A 21 GLU HGy A 21 GLU H 1.0 . 4.9 390 303 A 22 GLY H A 21 GLU H 1.0 . 4.8 391 304 A 21 GLU HA A 22 GLY H 1.0 . 2.5 392 305 A 22 GLY H A 21 GLU HBx 1.0 . 4.3 393 305 A 21 GLU HBy A 22 GLY H 1.0 . 4.3 394 306 A 22 GLY H A 21 GLU HGx 1.0 . 6.4 395 306 A 21 GLU HGy A 22 GLY H 1.0 . 6.4 396 307 A 22 GLY H A 23 GLY H 1.0 . 6.0 397 308 A 22 GLY H A 24 GLY H 1.0 . 4.0 398 309 A 23 GLY H A 24 GLY H 1.0 . 4.2 399 310 A 23 GLY H B 12 CYS HBx 1.0 . 6.0 400 311 A 23 GLY H B 12 CYS HBy 1.0 . 5.6 401 312 A 24 GLY H A 24 GLY HAy 1.0 . 2.7 402 313 A 24 GLY H A 25 THR H 1.0 . 4.6 403 314 A 24 GLY H B 12 CYS HBx 1.0 . 6.0 404 315 A 24 GLY H B 12 CYS HBy 1.0 . 5.9 405 316 B 14 GLN HE2y A 24 GLY H 1.0 . 6.0 406 317 A 25 THR H A 25 THR HB 1.0 . 2.5 407 318 A 25 THR H A 26 LEU H 1.0 . 5.3 408 319 A 25 THR H B 28 CYS HA 1.0 . 3.2 409 320 A 25 THR H B 29 CYS H 1.0 . 2.9 410 321 A 26 LEU H A 25 THR HA 1.0 . 2.5 411 322 A 25 THR HA A 26 LEU HBx 1.0 . 5.3 412 322 A 25 THR HA A 26 LEU HBy 1.0 . 5.3 413 323 A 26 LEU HG A 25 THR HA 1.0 . 5.0 414 324 B 14 GLN HE2x A 25 THR HA 1.0 . 6.0 415 325 A 25 THR HB A 26 LEU H 1.0 . 4.9 416 326 A 25 THR HB A 27 VAL HGy% 1.0 . 7.0 417 327 A 27 VAL HGy% A 25 THR HG2% 1.0 . 4.4 418 328 B 28 CYS HA A 25 THR HG2% 1.0 . 7.0 419 329 A 26 LEU H A 26 LEU HBx 1.0 . 3.7 420 329 A 26 LEU H A 26 LEU HBy 1.0 . 3.7 421 330 A 26 LEU HG A 26 LEU H 1.0 . 2.8 422 331 A 26 LEU HDx% A 26 LEU H 1.0 . 7.0 423 332 A 26 LEU H A 26 LEU HDy% 1.0 . 7.0 424 333 A 26 LEU H A 27 VAL H 1.0 . 6.0 425 334 B 14 GLN HE2y A 26 LEU H 1.0 . 6.0 426 335 A 26 LEU HG A 26 LEU HA 1.0 . 3.2 427 336 A 26 LEU HDx% A 26 LEU HA 1.0 . 7.0 428 337 A 26 LEU HDy% A 26 LEU HA 1.0 . 4.1 429 338 B 14 GLN HE2x A 26 LEU HBx 1.0 . 7.0 430 338 B 14 GLN HE2x A 26 LEU HBy 1.0 . 7.0 431 339 B 14 GLN HE2y A 26 LEU HBx 1.0 . 6.7 432 339 B 14 GLN HE2y A 26 LEU HBy 1.0 . 6.7 433 340 A 26 LEU HG A 27 VAL H 1.0 . 5.0 434 341 A 26 LEU HG A 33 MET H 1.0 . 6.0 435 342 A 26 LEU HG A 33 MET HBy 1.0 . 4.7 436 343 B 14 GLN HE2x A 26 LEU HG 1.0 . 6.0 437 344 B 14 GLN HE2y A 26 LEU HG 1.0 . 6.0 438 345 A 26 LEU HG B 28 CYS HBx 1.0 . 4.5 439 346 A 26 LEU HDx% A 33 MET HBx 1.0 . 7.0 440 347 A 26 LEU HDx% A 33 MET HGx 1.0 . 8.0 441 347 A 26 LEU HDx% A 33 MET HGy 1.0 . 8.0 442 348 A 26 LEU HDx% B 14 GLN HE2x 1.0 . 7.0 443 349 A 26 LEU HDx% B 14 GLN HE2y 1.0 . 7.0 444 350 A 26 LEU HDy% A 27 VAL H 1.0 . 7.0 445 351 B 14 GLN HE2x A 26 LEU HDy% 1.0 . 4.7 446 352 B 14 GLN HE2y A 26 LEU HDy% 1.0 . 5.6 447 353 B 28 CYS HA A 26 LEU HDy% 1.0 . 7.0 448 354 A 26 LEU HDy% B 28 CYS HBx 1.0 . 7.0 449 355 A 26 LEU HDy% B 28 CYS HBy 1.0 . 7.0 450 356 A 26 LEU HDy% B 28 CYS SG 1.0 . 4.5 451 357 A 26 LEU O A 33 MET N 1.0 . 3.0 452 358 A 33 MET H A 26 LEU O 1.0 . 2.0 453 359 A 27 VAL N B 27 VAL O 1.0 . 3.0 454 360 A 27 VAL H A 27 VAL HB 1.0 . 2.8 455 361 A 27 VAL H A 28 CYS H 1.0 . 5.9 456 362 A 27 VAL H B 27 VAL O 1.0 . 2.0 457 363 A 27 VAL HB A 27 VAL HA 1.0 . 2.9 458 364 A 27 VAL HA A 28 CYS HA 1.0 . 5.4 459 365 A 27 VAL HA A 28 CYS HBx 1.0 . 6.0 460 366 A 33 MET H A 27 VAL HA 1.0 . 3.9 461 367 A 33 MET HBy A 27 VAL HA 1.0 . 6.0 462 368 A 27 VAL HB A 28 CYS H 1.0 . 4.9 463 369 A 27 VAL HB A 28 CYS HA 1.0 . 5.8 464 370 A 28 CYS H A 27 VAL HGx% 1.0 . 4.0 465 371 A 28 CYS HA A 27 VAL HGx% 1.0 . 7.0 466 372 A 27 VAL HGx% A 29 CYS H 1.0 . 7.0 467 373 A 27 VAL HGx% A 30 GLY H 1.0 . 3.8 468 374 A 27 VAL HGx% A 30 GLY HAy 1.0 . 3.4 469 375 A 27 VAL HGx% A 30 GLY HAx 1.0 . 4.5 470 376 A 27 VAL HGx% A 31 GLU H 1.0 . 5.6 471 377 A 27 VAL HGx% A 31 GLU HA 1.0 . 7.0 472 378 A 33 MET H A 27 VAL HGx% 1.0 . 7.0 473 379 A 27 VAL HGy% A 28 CYS H 1.0 . 7.0 474 380 A 27 VAL HGy% A 30 GLY H 1.0 . 7.0 475 381 A 27 VAL HGy% A 32 ASP H 1.0 . 7.0 476 382 A 27 VAL HGy% A 33 MET H 1.0 . 7.0 477 383 B 28 CYS HA A 27 VAL HGy% 1.0 . 4.9 478 384 A 27 VAL O B 27 VAL N 1.0 . 3.0 479 385 A 27 VAL O B 27 VAL H 1.0 . 2.0 480 386 A 28 CYS N A 31 GLU O 1.0 . 3.0 481 387 A 28 CYS H A 31 GLU H 1.0 . 3.1 482 388 A 28 CYS H A 31 GLU O 1.0 . 2.0 483 389 A 33 MET HBy A 28 CYS H 1.0 . 5.9 484 390 A 28 CYS HA B 25 THR H 1.0 . 3.2 485 391 A 28 CYS HA B 25 THR HG21 1.0 . 7.0 486 392 B 26 LEU HD21 A 28 CYS HA 1.0 . 7.0 487 393 A 28 CYS HA B 27 VAL HG21 1.0 . 4.9 488 394 A 33 MET HBy A 28 CYS HBy 1.0 . 5.8 489 395 A 28 CYS HBy A 33 MET HGx 1.0 . 7.0 490 395 A 33 MET HGy A 28 CYS HBy 1.0 . 7.0 491 396 B 26 LEU HD21 A 28 CYS HBy 1.0 . 7.0 492 397 A 33 MET HBy A 28 CYS HBx 1.0 . 4.3 493 398 B 26 LEU HG A 28 CYS HBx 1.0 . 4.5 494 399 B 26 LEU HD21 A 28 CYS HBx 1.0 . 7.0 495 400 A 28 CYS SG A 29 CYS SG 1.0 . 4.4 496 401 A 28 CYS SG B 26 LEU HD21 1.0 . 4.5 497 402 A 28 CYS O A 31 GLU N 1.0 . 3.0 498 403 A 31 GLU H A 28 CYS O 1.0 . 2.0 499 404 A 29 CYS HA A 29 CYS H 1.0 . 2.6 500 405 A 29 CYS H A 30 GLY H 1.0 . 3.5 501 406 A 29 CYS H B 25 THR H 1.0 . 2.9 502 407 A 29 CYS HBx A 30 GLY H 1.0 . 5.3 503 408 A 30 GLY H A 30 GLY HAy 1.0 . 2.9 504 409 A 30 GLY H A 30 GLY HAx 1.0 . 2.9 505 410 A 30 GLY H A 31 GLU H 1.0 . 3.9 506 411 A 30 GLY HAx A 31 GLU HBx 1.0 . 5.4 507 411 A 30 GLY HAx A 31 GLU HBy 1.0 . 5.4 508 412 A 31 GLU H A 31 GLU HBx 1.0 . 3.5 509 413 A 31 GLU H A 31 GLU HGx 1.0 . 5.5 510 414 A 31 GLU H A 31 GLU HGy 1.0 . 6.0 511 415 A 31 GLU H A 32 ASP H 1.0 . 6.0 512 416 A 32 ASP H A 31 GLU HBy 1.0 . 4.6 513 417 A 32 ASP H A 31 GLU HGx 1.0 . 4.0 514 418 A 32 ASP H A 32 ASP HBx 1.0 . 3.7 515 418 A 32 ASP H A 32 ASP HBy 1.0 . 3.7 516 419 A 34 VAL HGx% A 32 ASP H 1.0 . 7.0 517 420 A 33 MET HBy A 32 ASP HA 1.0 . 6.0 518 421 A 33 MET HBx A 32 ASP HA 1.0 . 6.0 519 422 A 32 ASP HA A 33 MET HGx 1.0 . 7.0 520 422 A 33 MET HGy A 32 ASP HA 1.0 . 7.0 521 423 A 33 MET HBy A 33 MET H 1.0 . 3.4 522 424 A 33 MET HE% A 33 MET H 1.0 . 6.8 523 425 A 34 VAL H A 33 MET H 1.0 . 6.0 524 426 A 33 MET HBx A 33 MET HA 1.0 . 3.0 525 427 A 34 VAL HGx% A 33 MET HA 1.0 . 7.0 526 428 A 33 MET HBy A 34 VAL H 1.0 . 5.3 527 429 A 34 VAL HGx% A 33 MET HGx 1.0 . 8.0 528 429 A 33 MET HGy A 34 VAL HGx% 1.0 . 8.0 529 430 A 34 VAL HA A 35 LYS H 1.0 . 2.4 530 431 A 35 LYS H A 34 VAL HB 1.0 . 3.8 531 432 A 36 GLN HE2x A 34 VAL HB 1.0 . 4.3 532 433 A 35 LYS H A 34 VAL HGx% 1.0 . 7.0 533 434 A 36 GLN HE2x A 34 VAL HGx% 1.0 . 7.0 534 435 A 36 GLN HE2y A 34 VAL HGx% 1.0 . 7.0 535 436 A 35 LYS H A 34 VAL HGy% 1.0 . 3.8 536 437 A 36 GLN HE2x A 34 VAL HGy% 1.0 . 4.2 537 438 A 36 GLN HE2y A 34 VAL HGy% 1.0 . 3.5 538 439 A 35 LYS H A 35 LYS HBx 1.0 . 3.6 539 439 A 35 LYS H A 35 LYS HBy 1.0 . 3.6 540 440 A 35 LYS H A 35 LYS HGx 1.0 . 4.6 541 440 A 35 LYS HGy A 35 LYS H 1.0 . 4.6 542 441 A 35 LYS HA A 35 LYS HDy 1.0 . 3.4 543 442 A 36 GLN H A 35 LYS HA 1.0 . 2.4 544 443 A 36 GLN HGx A 35 LYS HA 1.0 . 4.9 545 444 A 35 LYS HBy A 35 LYS HEx 1.0 . 7.3 546 444 A 35 LYS HBx A 35 LYS HEx 1.0 . 7.3 547 444 A 35 LYS HEy A 35 LYS HBx 1.0 . 7.3 548 444 A 35 LYS HEy A 35 LYS HBy 1.0 . 7.3 549 445 A 36 GLN H A 35 LYS HGx 1.0 . 5.8 550 445 A 36 GLN H A 35 LYS HGy 1.0 . 5.8 551 446 A 36 GLN H A 36 GLN HBx 1.0 . 3.8 552 446 A 36 GLN H A 36 GLN HBy 1.0 . 3.8 553 447 A 36 GLN HGy A 36 GLN H 1.0 . 3.1 554 448 A 36 GLN HE2y A 36 GLN H 1.0 . 5.3 555 449 A 36 GLN HGy A 36 GLN HA 1.0 . 3.3 556 450 A 36 GLN HGx A 36 GLN HA 1.0 . 4.0 557 451 A 36 GLN HE2y A 36 GLN HA 1.0 . 5.6 558 452 A 36 GLN HGy A 36 GLN HE2y 1.0 . 3.7 559 453 B 1 ALA HB1 B 5 ASP H 1.0 . 7.0 560 454 B 1 ALA HB1 B 5 ASP HBx 1.0 . 7.0 561 455 B 1 ALA HB1 B 7 TYR HEy 1.0 . 3.4 562 456 B 1 ALA HB1 B 7 TYR HDy 1.0 . 5.2 563 457 B 1 ALA HB1 B 26 LEU HD11 1.0 . 6.5 564 458 B 2 ASN HA B 3 GLU H 1.0 . 3.4 565 459 B 2 ASN HA B 18 VAL HG11 1.0 . 7.0 566 460 B 2 ASN HA B 21 GLU HBx 1.0 . 7.0 567 460 B 2 ASN HA B 21 GLU HBy 1.0 . 7.0 568 461 B 2 ASN HA B 21 GLU HGx 1.0 . 7.0 569 461 B 2 ASN HA B 21 GLU HGy 1.0 . 7.0 570 462 B 3 GLU H B 3 GLU HBx 1.0 . 3.2 571 462 B 3 GLU H B 3 GLU HBy 1.0 . 3.2 572 463 B 3 GLU H B 3 GLU HGx 1.0 . 4.9 573 464 B 3 GLU HA B 3 GLU HGy 1.0 . 3.1 574 465 B 3 GLU HA B 18 VAL HB 1.0 . 6.0 575 466 B 18 VAL HG11 B 3 GLU HA 1.0 . 3.4 576 467 B 3 GLU HA B 18 VAL HG21 1.0 . 7.0 577 468 B 5 ASP H B 3 GLU HBx 1.0 . 5.3 578 468 B 5 ASP H B 3 GLU HBy 1.0 . 5.3 579 469 B 4 GLY H B 4 GLY HAx 1.0 . 2.4 580 470 B 5 ASP H B 4 GLY H 1.0 . 3.1 581 471 B 4 GLY H B 17 LYS HBx 1.0 . 7.0 582 471 B 4 GLY H B 17 LYS HBy 1.0 . 7.0 583 472 B 4 GLY H B 17 LYS HGx 1.0 . 7.0 584 472 B 4 GLY H B 17 LYS HGy 1.0 . 7.0 585 473 B 18 VAL HB B 4 GLY H 1.0 . 4.2 586 474 B 18 VAL HG11 B 4 GLY H 1.0 . 7.0 587 475 B 18 VAL HG21 B 4 GLY H 1.0 . 7.0 588 476 B 5 ASP H B 4 GLY HAx 1.0 . 3.6 589 477 B 4 GLY HAx B 17 LYS HBx 1.0 . 7.0 590 477 B 4 GLY HAx B 17 LYS HBy 1.0 . 7.0 591 478 B 4 GLY HAx B 17 LYS HGx 1.0 . 6.6 592 478 B 4 GLY HAx B 17 LYS HGy 1.0 . 6.6 593 479 B 4 GLY HAx B 17 LYS HEx 1.0 . 6.2 594 479 B 4 GLY HAx B 17 LYS HEy 1.0 . 6.2 595 480 B 4 GLY HAy B 17 LYS HEx 1.0 . 7.0 596 480 B 17 LYS HEy B 4 GLY HAy 1.0 . 7.0 597 481 B 5 ASP H B 5 ASP HBx 1.0 . 3.0 598 482 B 5 ASP H B 5 ASP HBy 1.0 . 3.5 599 483 B 5 ASP H B 6 VAL H 1.0 . 4.9 600 484 B 5 ASP H B 6 VAL HG21 1.0 . 7.0 601 485 B 5 ASP H B 7 TYR HEy 1.0 . 6.0 602 486 B 5 ASP H B 17 LYS HGx 1.0 . 7.0 603 486 B 5 ASP H B 17 LYS HGy 1.0 . 7.0 604 487 B 5 ASP H B 18 VAL H 1.0 . 4.4 605 488 B 5 ASP H B 18 VAL HB 1.0 . 4.0 606 489 B 5 ASP H B 18 VAL HG11 1.0 . 7.0 607 490 B 6 VAL H B 5 ASP HA 1.0 . 3.3 608 491 B 5 ASP HBx B 6 VAL H 1.0 . 4.3 609 492 B 5 ASP HBx B 7 TYR HEy 1.0 . 4.0 610 493 B 5 ASP HBx B 7 TYR HDy 1.0 . 5.1 611 494 B 5 ASP HBx B 18 VAL HB 1.0 . 5.3 612 495 B 5 ASP HBx B 18 VAL HG11 1.0 . 6.1 613 496 B 5 ASP HBx B 18 VAL HG21 1.0 . 4.4 614 497 B 5 ASP HBy B 6 VAL H 1.0 . 3.5 615 498 B 7 TYR HEy B 5 ASP HBy 1.0 . 4.0 616 499 B 7 TYR HDy B 5 ASP HBy 1.0 . 5.0 617 500 B 5 ASP O B 18 VAL N 1.0 . 3.0 618 501 B 18 VAL H B 5 ASP O 1.0 . 2.0 619 502 B 6 VAL H B 6 VAL HB 1.0 . 2.6 620 503 B 7 TYR HEy B 6 VAL H 1.0 . 5.4 621 504 B 7 TYR HDy B 6 VAL H 1.0 . 6.0 622 505 B 6 VAL H B 18 VAL H 1.0 . 4.6 623 506 B 6 VAL H B 35 LYS HEx 1.0 . 7.0 624 506 B 6 VAL H B 35 LYS HEy 1.0 . 7.0 625 507 B 6 VAL HA B 7 TYR H 1.0 . 3.6 626 508 B 6 VAL HA B 7 TYR HBx 1.0 . 6.0 627 509 B 6 VAL HA B 17 LYS HA 1.0 . 3.9 628 510 B 6 VAL HA B 17 LYS HGx 1.0 . 7.0 629 510 B 17 LYS HGy B 6 VAL HA 1.0 . 7.0 630 511 B 7 TYR H B 6 VAL HG11 1.0 . 3.6 631 512 B 6 VAL HG11 B 8 LYS HBx 1.0 . 4.4 632 512 B 6 VAL HG11 B 8 LYS HBy 1.0 . 4.4 633 513 B 6 VAL HG11 B 15 VAL HA 1.0 . 7.0 634 514 B 17 LYS HA B 6 VAL HG11 1.0 . 4.7 635 515 B 6 VAL HG11 B 36 GLN HGx 1.0 . 3.4 636 516 B 6 VAL HG11 B 36 GLN HGy 1.0 . 3.5 637 517 B 6 VAL HG11 B 36 GLN HE2y 1.0 . 7.0 638 518 B 6 VAL HG21 B 7 TYR H 1.0 . 7.0 639 519 B 6 VAL HG21 B 17 LYS HA 1.0 . 3.4 640 520 B 6 VAL HG21 B 17 LYS HEx 1.0 . 8.0 641 520 B 17 LYS HEy B 6 VAL HG21 1.0 . 8.0 642 521 B 6 VAL O B 36 GLN N 1.0 . 3.0 643 522 B 6 VAL O B 36 GLN H 1.0 . 2.0 644 523 B 7 TYR N B 16 VAL O 1.0 . 3.0 645 524 B 7 TYR H B 7 TYR HBx 1.0 . 3.7 646 525 B 7 TYR HDy B 7 TYR H 1.0 . 5.3 647 526 B 7 TYR H B 16 VAL H 1.0 . 3.8 648 527 B 7 TYR H B 16 VAL O 1.0 . 2.0 649 528 B 7 TYR H B 17 LYS HA 1.0 . 5.9 650 529 B 7 TYR H B 17 LYS HBx 1.0 . 7.0 651 529 B 17 LYS HBy B 7 TYR H 1.0 . 7.0 652 530 B 7 TYR HA B 7 TYR HDx 1.0 . 5.7 653 531 B 7 TYR HA B 35 LYS HA 1.0 . 4.0 654 532 B 7 TYR HA B 35 LYS HGx 1.0 . 7.0 655 532 B 7 TYR HA B 35 LYS HGy 1.0 . 7.0 656 533 B 36 GLN HGx B 7 TYR HA 1.0 . 6.0 657 534 B 36 GLN HGy B 7 TYR HA 1.0 . 6.0 658 535 B 7 TYR HEy B 7 TYR HBx 1.0 . 5.4 659 536 B 7 TYR HDy B 7 TYR HBx 1.0 . 3.3 660 537 B 7 TYR HBx B 8 LYS H 1.0 . 4.7 661 538 B 26 LEU HD11 B 7 TYR HBx 1.0 . 4.7 662 539 B 7 TYR HDx B 7 TYR HBy 1.0 . 3.3 663 540 B 8 LYS H B 7 TYR HBy 1.0 . 4.5 664 541 B 7 TYR HBy B 16 VAL HG21 1.0 . 3.8 665 542 B 26 LEU HD11 B 7 TYR HBy 1.0 . 7.0 666 543 B 7 TYR HBy B 33 MET HBy 1.0 . 4.1 667 544 B 7 TYR HBy B 33 MET HE1 1.0 . 6.3 668 545 B 7 TYR HDx B 8 LYS H 1.0 . 5.2 669 546 B 26 LEU HG B 7 TYR HDx 1.0 . 5.2 670 547 B 7 TYR HDx B 33 MET HBx 1.0 . 6.0 671 548 B 7 TYR HDx B 33 MET HBy 1.0 . 4.5 672 549 B 7 TYR HDx B 33 MET HGx 1.0 . 7.0 673 549 B 7 TYR HDx B 33 MET HGy 1.0 . 7.0 674 550 B 7 TYR HDx B 33 MET HE1 1.0 . 5.6 675 551 B 7 TYR HDx B 34 VAL H 1.0 . 6.0 676 552 B 7 TYR HDx B 34 VAL HA 1.0 . 6.0 677 553 B 7 TYR HDx B 35 LYS H 1.0 . 5.8 678 554 B 33 MET HBy B 7 TYR HEx 1.0 . 4.1 679 555 B 34 VAL HA B 7 TYR HEx 1.0 . 6.0 680 556 B 35 LYS H B 7 TYR HEx 1.0 . 4.5 681 557 B 7 TYR HEx B 35 LYS HGx 1.0 . 5.3 682 557 B 35 LYS HGy B 7 TYR HEx 1.0 . 5.3 683 558 B 26 LEU HD11 B 7 TYR HEy 1.0 . 7.0 684 559 B 7 TYR HEy B 35 LYS HA 1.0 . 5.6 685 560 B 7 TYR HEy B 35 LYS HEx 1.0 . 7.0 686 560 B 7 TYR HEy B 35 LYS HEy 1.0 . 7.0 687 561 B 7 TYR HDy B 16 VAL HG21 1.0 . 4.3 688 562 B 7 TYR HDy B 18 VAL HG21 1.0 . 3.4 689 563 B 26 LEU HD11 B 7 TYR HDy 1.0 . 4.4 690 564 B 7 TYR HDy B 35 LYS HA 1.0 . 5.2 691 565 B 7 TYR HDy B 35 LYS HGx 1.0 . 7.0 692 565 B 7 TYR HDy B 35 LYS HGy 1.0 . 7.0 693 566 B 7 TYR O B 16 VAL N 1.0 . 3.0 694 567 B 16 VAL H B 7 TYR O 1.0 . 2.0 695 568 B 8 LYS N B 34 VAL O 1.0 . 3.0 696 569 B 8 LYS H B 34 VAL H 1.0 . 3.3 697 570 B 8 LYS H B 34 VAL O 1.0 . 2.0 698 571 B 8 LYS HA B 8 LYS HDy 1.0 . 4.8 699 571 B 8 LYS HA B 8 LYS HDx 1.0 . 4.8 700 572 B 8 LYS HA B 9 CYS H 1.0 . 3.0 701 573 B 15 VAL HA B 8 LYS HA 1.0 . 4.3 702 574 B 8 LYS HA B 15 VAL HG11 1.0 . 5.0 703 574 B 15 VAL HG21 B 8 LYS HA 1.0 . 5.0 704 575 B 8 LYS HBy B 8 LYS HEx 1.0 . 8.0 705 575 B 8 LYS HBx B 8 LYS HEx 1.0 . 8.0 706 575 B 8 LYS HEy B 8 LYS HBx 1.0 . 8.0 707 575 B 8 LYS HBy B 8 LYS HEy 1.0 . 8.0 708 576 B 9 CYS H B 8 LYS HBx 1.0 . 5.0 709 576 B 8 LYS HBy B 9 CYS H 1.0 . 5.0 710 577 B 9 CYS HA B 8 LYS HBx 1.0 . 7.0 711 577 B 8 LYS HBy B 9 CYS HA 1.0 . 7.0 712 578 B 15 VAL HA B 8 LYS HBx 1.0 . 7.0 713 578 B 8 LYS HBy B 15 VAL HA 1.0 . 7.0 714 579 B 8 LYS HBx B 15 VAL HG11 1.0 . 5.8 715 579 B 8 LYS HBy B 15 VAL HG11 1.0 . 5.8 716 579 B 15 VAL HG21 B 8 LYS HBx 1.0 . 5.8 717 579 B 15 VAL HG21 B 8 LYS HBy 1.0 . 5.8 718 580 B 36 GLN HE2x B 8 LYS HBx 1.0 . 7.0 719 580 B 8 LYS HBy B 36 GLN HE2x 1.0 . 7.0 720 581 B 36 GLN HE2y B 8 LYS HBx 1.0 . 7.0 721 581 B 8 LYS HBy B 36 GLN HE2y 1.0 . 7.0 722 582 B 9 CYS H B 8 LYS HGx 1.0 . 6.7 723 582 B 9 CYS H B 8 LYS HGy 1.0 . 6.7 724 583 B 9 CYS HA B 8 LYS HGx 1.0 . 7.0 725 583 B 9 CYS HA B 8 LYS HGy 1.0 . 7.0 726 584 B 8 LYS HDx B 9 CYS H 1.0 . 4.8 727 585 B 8 LYS HDx B 13 GLY H 1.0 . 6.0 728 586 B 9 CYS H B 8 LYS HDy 1.0 . 7.0 729 586 B 8 LYS HDx B 9 CYS H 1.0 . 7.0 730 587 B 15 VAL HA B 8 LYS HDy 1.0 . 7.0 731 587 B 15 VAL HA B 8 LYS HDx 1.0 . 7.0 732 588 B 36 GLN HGx B 8 LYS HDy 1.0 . 6.4 733 588 B 36 GLN HGx B 8 LYS HDx 1.0 . 6.4 734 589 B 36 GLN HGy B 8 LYS HDy 1.0 . 7.0 735 589 B 36 GLN HGy B 8 LYS HDx 1.0 . 7.0 736 590 B 36 GLN HE2x B 8 LYS HDy 1.0 . 7.0 737 590 B 8 LYS HDx B 36 GLN HE2x 1.0 . 7.0 738 591 B 10 GLU HA B 8 LYS HEx 1.0 . 7.0 739 591 B 8 LYS HEy B 10 GLU HA 1.0 . 7.0 740 592 B 13 GLY H B 8 LYS HEx 1.0 . 7.0 741 592 B 8 LYS HEy B 13 GLY H 1.0 . 7.0 742 593 B 13 GLY HAx B 8 LYS HEx 1.0 . 6.2 743 593 B 8 LYS HEy B 13 GLY HAx 1.0 . 6.2 744 594 B 13 GLY HAy B 8 LYS HEx 1.0 . 7.0 745 594 B 8 LYS HEy B 13 GLY HAy 1.0 . 7.0 746 595 B 8 LYS HEx B 15 VAL HG11 1.0 . 9.4 747 595 B 8 LYS HEy B 15 VAL HG11 1.0 . 9.4 748 595 B 15 VAL HG21 B 8 LYS HEx 1.0 . 9.4 749 595 B 15 VAL HG21 B 8 LYS HEy 1.0 . 9.4 750 596 B 36 GLN HE2y B 8 LYS HEx 1.0 . 7.0 751 596 B 36 GLN HE2y B 8 LYS HEy 1.0 . 7.0 752 597 B 8 LYS O B 34 VAL N 1.0 . 3.0 753 598 B 34 VAL H B 8 LYS O 1.0 . 2.0 754 599 B 9 CYS N B 14 GLN O 1.0 . 3.0 755 600 B 9 CYS H B 9 CYS HBx 1.0 . 4.0 756 601 B 9 CYS H B 9 CYS HBy 1.0 . 3.8 757 602 B 9 CYS H B 14 GLN H 1.0 . 4.0 758 603 B 9 CYS H B 14 GLN O 1.0 . 2.0 759 604 B 33 MET HBx B 9 CYS HA 1.0 . 6.0 760 605 B 9 CYS HBx B 10 GLU H 1.0 . 5.2 761 606 B 13 GLY H B 9 CYS HBx 1.0 . 3.6 762 607 B 9 CYS HBx B 14 GLN H 1.0 . 6.0 763 608 B 9 CYS HBx B 33 MET HGx 1.0 . 3.7 764 608 B 33 MET HGy B 9 CYS HBx 1.0 . 3.7 765 609 B 9 CYS HBy B 10 GLU H 1.0 . 6.0 766 610 B 13 GLY H B 9 CYS HBy 1.0 . 2.8 767 611 B 9 CYS HBy B 14 GLN H 1.0 . 5.5 768 612 B 9 CYS HBy B 14 GLN HBx 1.0 . 4.4 769 613 B 33 MET HBx B 9 CYS HBy 1.0 . 6.0 770 614 B 9 CYS HBy B 33 MET HGx 1.0 . 5.3 771 614 B 33 MET HGy B 9 CYS HBy 1.0 . 5.3 772 615 B 9 CYS SG B 12 CYS N 1.0 . 3.8 773 616 B 9 CYS SG B 12 CYS H 1.0 . 2.9 774 617 B 9 CYS SG B 12 CYS SG 1.0 . 4.0 775 618 B 28 CYS SG B 9 CYS SG 1.0 . 4.0 776 619 B 9 CYS SG B 29 CYS SG 1.0 . 4.0 777 620 B 10 GLU H B 10 GLU HBx 1.0 . 3.7 778 620 B 10 GLU H B 10 GLU HBy 1.0 . 3.7 779 621 B 10 GLU H B 10 GLU HGx 1.0 . 3.4 780 622 B 10 GLU H B 10 GLU HGy 1.0 . 3.9 781 623 B 10 GLU H B 11 LEU H 1.0 . 4.0 782 624 B 10 GLU H B 34 VAL HG11 1.0 . 7.0 783 625 B 10 GLU HA B 10 GLU HGx 1.0 . 3.2 784 626 B 10 GLU HGx B 11 LEU H 1.0 . 6.0 785 627 B 10 GLU HGx B 34 VAL HG11 1.0 . 6.4 786 628 B 10 GLU HGx B 34 VAL HG21 1.0 . 3.8 787 629 B 10 GLU HGy B 34 VAL HG11 1.0 . 4.9 788 630 B 11 LEU H B 11 LEU HG 1.0 . 4.3 789 631 B 11 LEU H B 11 LEU HD11 1.0 . 9.4 790 631 B 11 LEU H B 11 LEU HD21 1.0 . 9.4 791 632 B 12 CYS H B 11 LEU H 1.0 . 4.9 792 633 B 13 GLY H B 11 LEU H 1.0 . 3.4 793 634 B 11 LEU HG B 11 LEU HA 1.0 . 3.3 794 635 B 12 CYS H B 11 LEU HBx 1.0 . 6.5 795 635 B 12 CYS H B 11 LEU HBy 1.0 . 6.5 796 636 B 13 GLY H B 11 LEU HBx 1.0 . 4.7 797 636 B 13 GLY H B 11 LEU HBy 1.0 . 4.7 798 637 B 29 CYS HBx B 11 LEU HBx 1.0 . 7.0 799 637 B 11 LEU HBy B 29 CYS HBx 1.0 . 7.0 800 638 B 29 CYS HBy B 11 LEU HBx 1.0 . 5.7 801 638 B 11 LEU HBy B 29 CYS HBy 1.0 . 5.7 802 639 B 12 CYS H B 11 LEU HG 1.0 . 6.0 803 640 B 11 LEU HG B 29 CYS HBy 1.0 . 4.3 804 641 B 29 CYS HA B 11 LEU HD11 1.0 . 8.4 805 641 B 11 LEU HD21 B 29 CYS HA 1.0 . 8.4 806 642 B 29 CYS HBx B 11 LEU HD11 1.0 . 8.4 807 642 B 11 LEU HD21 B 29 CYS HBx 1.0 . 8.4 808 643 B 29 CYS HBy B 11 LEU HD11 1.0 . 6.0 809 643 B 11 LEU HD21 B 29 CYS HBy 1.0 . 6.0 810 644 B 13 GLY H B 12 CYS H 1.0 . 3.7 811 645 B 12 CYS SG B 14 GLN N 1.0 . 3.8 812 646 B 14 GLN H B 12 CYS SG 1.0 . 2.9 813 647 B 28 CYS SG B 12 CYS SG 1.0 . 4.0 814 648 B 12 CYS SG B 29 CYS SG 1.0 . 4.0 815 649 B 13 GLY H B 14 GLN H 1.0 . 3.6 816 650 B 14 GLN HE2x B 13 GLY H 1.0 . 6.0 817 651 B 14 GLN H B 14 GLN HBx 1.0 . 2.7 818 652 B 14 GLN H B 14 GLN HGx 1.0 . 7.0 819 652 B 14 GLN H B 14 GLN HGy 1.0 . 7.0 820 653 B 14 GLN HE2x B 14 GLN H 1.0 . 6.0 821 654 B 14 GLN HE2y B 14 GLN H 1.0 . 6.0 822 655 B 14 GLN HBx B 14 GLN HA 1.0 . 2.4 823 656 B 14 GLN HA B 15 VAL HG11 1.0 . 8.4 824 656 B 15 VAL HG21 B 14 GLN HA 1.0 . 8.4 825 657 B 14 GLN HE2x B 14 GLN HBx 1.0 . 3.4 826 658 B 14 GLN HE2y B 14 GLN HBx 1.0 . 3.8 827 659 B 15 VAL H B 14 GLN HGx 1.0 . 7.0 828 659 B 15 VAL H B 14 GLN HGy 1.0 . 7.0 829 660 B 14 GLN HE2x B 33 MET HGx 1.0 . 7.0 830 660 B 14 GLN HE2x B 33 MET HGy 1.0 . 7.0 831 661 B 15 VAL H B 15 VAL HB 1.0 . 3.0 832 662 B 15 VAL H B 16 VAL H 1.0 . 5.8 833 663 B 15 VAL H B 16 VAL HG21 1.0 . 7.0 834 664 B 15 VAL HA B 16 VAL H 1.0 . 3.2 835 665 B 15 VAL HA B 16 VAL HG21 1.0 . 7.0 836 666 B 16 VAL HA B 15 VAL HG11 1.0 . 7.7 837 666 B 16 VAL HA B 15 VAL HG21 1.0 . 7.7 838 667 B 16 VAL H B 16 VAL HG21 1.0 . 4.3 839 668 B 16 VAL HA B 16 VAL HB 1.0 . 2.4 840 669 B 17 LYS H B 16 VAL HA 1.0 . 3.1 841 670 B 26 LEU HD11 B 16 VAL HA 1.0 . 7.0 842 671 B 17 LYS H B 16 VAL HB 1.0 . 3.2 843 672 B 26 LEU HD11 B 16 VAL HB 1.0 . 7.0 844 673 B 26 LEU HD11 B 16 VAL HG21 1.0 . 4.4 845 674 B 17 LYS H B 17 LYS HGx 1.0 . 7.0 846 674 B 17 LYS H B 17 LYS HGy 1.0 . 7.0 847 675 B 17 LYS H B 17 LYS HDx 1.0 . 6.0 848 675 B 17 LYS H B 17 LYS HDy 1.0 . 6.0 849 676 B 18 VAL HA B 17 LYS H 1.0 . 5.1 850 677 B 17 LYS HA B 17 LYS HDx 1.0 . 6.7 851 677 B 17 LYS HA B 17 LYS HDy 1.0 . 6.7 852 678 B 18 VAL H B 17 LYS HA 1.0 . 2.8 853 679 B 17 LYS HBy B 17 LYS HEx 1.0 . 6.6 854 679 B 17 LYS HBx B 17 LYS HEx 1.0 . 6.6 855 679 B 17 LYS HEy B 17 LYS HBx 1.0 . 6.6 856 679 B 17 LYS HBy B 17 LYS HEy 1.0 . 6.6 857 680 B 18 VAL H B 17 LYS HBx 1.0 . 4.4 858 680 B 17 LYS HBy B 18 VAL H 1.0 . 4.4 859 681 B 18 VAL HB B 17 LYS HBx 1.0 . 7.0 860 681 B 18 VAL HB B 17 LYS HBy 1.0 . 7.0 861 682 B 18 VAL H B 17 LYS HGx 1.0 . 6.6 862 682 B 17 LYS HGy B 18 VAL H 1.0 . 6.6 863 683 B 18 VAL HA B 17 LYS HDx 1.0 . 4.7 864 683 B 18 VAL HA B 17 LYS HDy 1.0 . 4.7 865 684 B 18 VAL HB B 18 VAL H 1.0 . 2.8 866 685 B 19 LEU H B 18 VAL H 1.0 . 4.5 867 686 B 18 VAL HA B 18 VAL HB 1.0 . 3.0 868 687 B 19 LEU H B 18 VAL HA 1.0 . 3.3 869 688 B 18 VAL HG11 B 19 LEU HA 1.0 . 7.0 870 689 B 20 GLU H B 18 VAL HG11 1.0 . 7.0 871 690 B 20 GLU HA B 18 VAL HG11 1.0 . 7.0 872 691 B 18 VAL HG11 B 21 GLU HA 1.0 . 3.6 873 692 B 18 VAL HG11 B 22 GLY H 1.0 . 7.0 874 693 B 26 LEU HD11 B 18 VAL HG21 1.0 . 4.4 875 694 B 19 LEU H B 19 LEU HG 1.0 . 3.9 876 695 B 19 LEU H B 19 LEU HD11 1.0 . 9.4 877 695 B 19 LEU H B 19 LEU HD21 1.0 . 9.4 878 696 B 20 GLU H B 19 LEU H 1.0 . 4.3 879 697 B 19 LEU HA B 20 GLU HBx 1.0 . 7.0 880 697 B 19 LEU HA B 20 GLU HBy 1.0 . 7.0 881 698 B 20 GLU H B 19 LEU HBx 1.0 . 6.6 882 698 B 20 GLU H B 19 LEU HBy 1.0 . 6.6 883 699 B 20 GLU H B 20 GLU HGy 1.0 . 5.5 884 700 B 20 GLU HA B 21 GLU H 1.0 . 3.3 885 701 B 20 GLU HA B 21 GLU HGx 1.0 . 7.0 886 701 B 20 GLU HA B 21 GLU HGy 1.0 . 7.0 887 702 B 21 GLU H B 21 GLU HBx 1.0 . 3.6 888 702 B 21 GLU HBy B 21 GLU H 1.0 . 3.6 889 703 B 21 GLU H B 21 GLU HGx 1.0 . 4.9 890 703 B 21 GLU HGy B 21 GLU H 1.0 . 4.9 891 704 B 22 GLY H B 21 GLU H 1.0 . 4.8 892 705 B 21 GLU HA B 22 GLY H 1.0 . 2.5 893 706 B 22 GLY H B 21 GLU HBx 1.0 . 4.3 894 706 B 21 GLU HBy B 22 GLY H 1.0 . 4.3 895 707 B 22 GLY H B 21 GLU HGx 1.0 . 6.4 896 707 B 21 GLU HGy B 22 GLY H 1.0 . 6.4 897 708 B 23 GLY H B 22 GLY H 1.0 . 6.0 898 709 B 24 GLY H B 22 GLY H 1.0 . 4.0 899 710 B 23 GLY H B 24 GLY H 1.0 . 4.2 900 711 B 24 GLY H B 24 GLY HAy 1.0 . 2.7 901 712 B 24 GLY H B 25 THR H 1.0 . 4.6 902 713 B 25 THR H B 25 THR HB 1.0 . 2.5 903 714 B 26 LEU H B 25 THR H 1.0 . 5.3 904 715 B 25 THR HA B 26 LEU H 1.0 . 2.5 905 716 B 25 THR HA B 26 LEU HBx 1.0 . 5.3 906 716 B 25 THR HA B 26 LEU HBy 1.0 . 5.3 907 717 B 25 THR HA B 26 LEU HG 1.0 . 5.0 908 718 B 26 LEU H B 25 THR HB 1.0 . 4.9 909 719 B 27 VAL HG21 B 25 THR HB 1.0 . 7.0 910 720 B 25 THR HG21 B 27 VAL HG21 1.0 . 4.4 911 721 B 26 LEU H B 26 LEU HBx 1.0 . 3.7 912 721 B 26 LEU HBy B 26 LEU H 1.0 . 3.7 913 722 B 26 LEU HG B 26 LEU H 1.0 . 2.8 914 723 B 26 LEU HD11 B 26 LEU H 1.0 . 7.0 915 724 B 26 LEU HD21 B 26 LEU H 1.0 . 7.0 916 725 B 26 LEU H B 27 VAL H 1.0 . 6.0 917 726 B 26 LEU HG B 26 LEU HA 1.0 . 3.2 918 727 B 26 LEU HD11 B 26 LEU HA 1.0 . 7.0 919 728 B 26 LEU HD21 B 26 LEU HA 1.0 . 4.1 920 729 B 26 LEU HG B 27 VAL H 1.0 . 5.0 921 730 B 26 LEU HG B 33 MET H 1.0 . 6.0 922 731 B 26 LEU HG B 33 MET HBx 1.0 . 4.7 923 732 B 26 LEU HD11 B 33 MET HBy 1.0 . 7.0 924 733 B 26 LEU HD11 B 33 MET HGx 1.0 . 8.0 925 733 B 26 LEU HD11 B 33 MET HGy 1.0 . 8.0 926 734 B 26 LEU HD21 B 27 VAL H 1.0 . 7.0 927 735 B 26 LEU O B 33 MET N 1.0 . 3.0 928 736 B 33 MET H B 26 LEU O 1.0 . 2.0 929 737 B 27 VAL H B 27 VAL HB 1.0 . 2.8 930 738 B 27 VAL H B 28 CYS H 1.0 . 5.9 931 739 B 27 VAL HB B 27 VAL HA 1.0 . 2.9 932 740 B 28 CYS HA B 27 VAL HA 1.0 . 5.4 933 741 B 28 CYS HBx B 27 VAL HA 1.0 . 6.0 934 742 B 33 MET H B 27 VAL HA 1.0 . 3.9 935 743 B 33 MET HBx B 27 VAL HA 1.0 . 6.0 936 744 B 27 VAL HB B 28 CYS H 1.0 . 4.9 937 745 B 28 CYS HA B 27 VAL HB 1.0 . 5.8 938 746 B 28 CYS H B 27 VAL HG11 1.0 . 4.0 939 747 B 28 CYS HA B 27 VAL HG11 1.0 . 7.0 940 748 B 29 CYS H B 27 VAL HG11 1.0 . 7.0 941 749 B 27 VAL HG11 B 30 GLY H 1.0 . 3.8 942 750 B 27 VAL HG11 B 30 GLY HAx 1.0 . 3.4 943 751 B 27 VAL HG11 B 30 GLY HAy 1.0 . 4.5 944 752 B 27 VAL HG11 B 31 GLU H 1.0 . 5.6 945 753 B 27 VAL HG11 B 31 GLU HA 1.0 . 7.0 946 754 B 33 MET H B 27 VAL HG11 1.0 . 7.0 947 755 B 27 VAL HG21 B 28 CYS H 1.0 . 7.0 948 756 B 27 VAL HG21 B 30 GLY H 1.0 . 7.0 949 757 B 27 VAL HG21 B 32 ASP H 1.0 . 7.0 950 758 B 27 VAL HG21 B 33 MET H 1.0 . 7.0 951 759 B 28 CYS N B 31 GLU O 1.0 . 3.0 952 760 B 28 CYS H B 31 GLU H 1.0 . 3.1 953 761 B 28 CYS H B 31 GLU O 1.0 . 2.0 954 762 B 33 MET HBx B 28 CYS H 1.0 . 5.9 955 763 B 28 CYS HBy B 33 MET HBx 1.0 . 5.8 956 764 B 28 CYS HBy B 33 MET HGx 1.0 . 7.0 957 764 B 28 CYS HBy B 33 MET HGy 1.0 . 7.0 958 765 B 28 CYS HBx B 33 MET HBx 1.0 . 4.3 959 766 B 28 CYS SG B 29 CYS SG 1.0 . 4.4 960 767 B 28 CYS O B 31 GLU N 1.0 . 3.0 961 768 B 31 GLU H B 28 CYS O 1.0 . 2.0 962 769 B 29 CYS H B 29 CYS HA 1.0 . 2.6 963 770 B 29 CYS H B 30 GLY H 1.0 . 3.5 964 771 B 29 CYS HBy B 30 GLY H 1.0 . 5.3 965 772 B 30 GLY H B 30 GLY HAx 1.0 . 2.9 966 773 B 30 GLY H B 30 GLY HAy 1.0 . 2.9 967 774 B 30 GLY H B 31 GLU H 1.0 . 3.9 968 775 B 30 GLY HAy B 31 GLU HBy 1.0 . 5.4 969 775 B 30 GLY HAy B 31 GLU HBx 1.0 . 5.4 970 776 B 31 GLU H B 31 GLU HBy 1.0 . 3.5 971 777 B 31 GLU H B 31 GLU HGx 1.0 . 5.5 972 778 B 31 GLU H B 31 GLU HGy 1.0 . 6.0 973 779 B 31 GLU H B 32 ASP H 1.0 . 6.0 974 780 B 32 ASP H B 31 GLU HBx 1.0 . 4.6 975 781 B 32 ASP H B 31 GLU HGx 1.0 . 4.0 976 782 B 32 ASP H B 32 ASP HBx 1.0 . 3.7 977 782 B 32 ASP H B 32 ASP HBy 1.0 . 3.7 978 783 B 34 VAL HG11 B 32 ASP H 1.0 . 7.0 979 784 B 33 MET HBx B 32 ASP HA 1.0 . 6.0 980 785 B 33 MET HBy B 32 ASP HA 1.0 . 6.0 981 786 B 32 ASP HA B 33 MET HGx 1.0 . 7.0 982 786 B 33 MET HGy B 32 ASP HA 1.0 . 7.0 983 787 B 33 MET HBx B 33 MET H 1.0 . 3.4 984 788 B 33 MET HE1 B 33 MET H 1.0 . 6.8 985 789 B 34 VAL H B 33 MET H 1.0 . 6.0 986 790 B 33 MET HBy B 33 MET HA 1.0 . 3.0 987 791 B 34 VAL HG11 B 33 MET HA 1.0 . 7.0 988 792 B 33 MET HBx B 34 VAL H 1.0 . 5.3 989 793 B 34 VAL HG11 B 33 MET HGx 1.0 . 8.0 990 793 B 33 MET HGy B 34 VAL HG11 1.0 . 8.0 991 794 B 34 VAL HA B 35 LYS H 1.0 . 2.4 992 795 B 35 LYS H B 34 VAL HB 1.0 . 3.8 993 796 B 36 GLN HE2x B 34 VAL HB 1.0 . 4.3 994 797 B 35 LYS H B 34 VAL HG11 1.0 . 7.0 995 798 B 36 GLN HE2x B 34 VAL HG11 1.0 . 7.0 996 799 B 36 GLN HE2y B 34 VAL HG11 1.0 . 7.0 997 800 B 35 LYS H B 34 VAL HG21 1.0 . 3.8 998 801 B 36 GLN HE2x B 34 VAL HG21 1.0 . 4.2 999 802 B 36 GLN HE2y B 34 VAL HG21 1.0 . 3.5 1000 803 B 35 LYS H B 35 LYS HBx 1.0 . 3.6 1001 803 B 35 LYS H B 35 LYS HBy 1.0 . 3.6 1002 804 B 35 LYS H B 35 LYS HGx 1.0 . 4.6 1003 804 B 35 LYS HGy B 35 LYS H 1.0 . 4.6 1004 805 B 35 LYS HA B 35 LYS HDy 1.0 . 3.4 1005 806 B 36 GLN H B 35 LYS HA 1.0 . 2.4 1006 807 B 36 GLN HGy B 35 LYS HA 1.0 . 4.9 1007 808 B 35 LYS HBy B 35 LYS HEx 1.0 . 7.3 1008 808 B 35 LYS HBx B 35 LYS HEx 1.0 . 7.3 1009 808 B 35 LYS HEy B 35 LYS HBx 1.0 . 7.3 1010 808 B 35 LYS HEy B 35 LYS HBy 1.0 . 7.3 1011 809 B 36 GLN H B 35 LYS HGx 1.0 . 5.8 1012 809 B 36 GLN H B 35 LYS HGy 1.0 . 5.8 1013 810 B 36 GLN H B 36 GLN HBx 1.0 . 3.8 1014 810 B 36 GLN H B 36 GLN HBy 1.0 . 3.8 1015 811 B 36 GLN HGx B 36 GLN H 1.0 . 3.1 1016 812 B 36 GLN HE2y B 36 GLN H 1.0 . 5.3 1017 813 B 36 GLN HGx B 36 GLN HA 1.0 . 3.3 1018 814 B 36 GLN HGy B 36 GLN HA 1.0 . 4.0 1019 815 B 36 GLN HE2y B 36 GLN HA 1.0 . 5.6 1020 816 B 36 GLN HGx B 36 GLN HE2y 1.0 . 3.7 stop_ save_