data_nef_c19878_2mn3 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 1b8w PDB 1zue PDB 1bnb PDB 2MN3 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 9 CYS SG 1 36 CYS SG 1 16 CYS SG 1 30 CYS SG 1 23 CYS SG 1 37 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 ARG start . . 2 A 2 ARG middle . . 3 A 3 ARG middle . . 4 A 4 ARG middle . . 5 A 5 ARG middle . . 6 A 6 ARG middle . . 7 A 7 PRO middle . false 8 A 8 PRO middle . false 9 A 9 CYS middle -HG . 10 A 10 GLU middle . . 11 A 11 ASP middle . . 12 A 12 VAL middle . . 13 A 13 ASN middle . . 14 A 14 GLY middle . false 15 A 15 GLN middle . . 16 A 16 CYS middle -HG . 17 A 17 GLN middle . . 18 A 18 PRO middle . false 19 A 19 ARG middle . . 20 A 20 GLY middle . false 21 A 21 ASN middle . . 22 A 22 PRO middle . false 23 A 23 CYS middle -HG . 24 A 24 LEU middle . . 25 A 25 ARG middle . . 26 A 26 LEU middle . . 27 A 27 ARG middle . . 28 A 28 GLY middle . false 29 A 29 ALA middle . . 30 A 30 CYS middle -HG . 31 A 31 PRO middle . false 32 A 32 ARG middle . . 33 A 33 GLY middle . false 34 A 34 SER middle . . 35 A 35 ARG middle . . 36 A 36 CYS middle -HG . 37 A 37 CYS middle -HG . 38 A 38 MET middle . . 39 A 39 PRO middle . false 40 A 40 THR middle . . 41 A 41 VAL middle . . 42 A 42 ALA middle . . 43 A 43 ALA middle . . 44 A 44 HIS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 ARG H H 1 8.518 0.000 A 2 ARG HA H 1 4.349 0.000 A 3 ARG H H 1 8.502 0.000 A 3 ARG HA H 1 4.579 0.000 A 4 ARG H H 1 8.495 0.000 A 4 ARG HA H 1 4.334 0.000 A 5 ARG HA H 1 4.070 0.002 A 5 ARG HBx H 1 1.676 0.000 A 5 ARG HBy H 1 1.938 0.001 A 5 ARG HDx H 1 3.244 0.000 A 6 ARG H H 1 8.815 0.000 A 6 ARG HA H 1 4.390 0.000 A 6 ARG HBx H 1 1.668 0.000 A 6 ARG HBy H 1 1.801 0.000 A 7 PRO HBy H 1 2.370 0.003 A 7 PRO HDx H 1 3.666 0.004 A 7 PRO HDy H 1 3.810 0.002 A 8 PRO HBx H 1 2.060 0.000 A 8 PRO HBy H 1 2.507 0.001 A 8 PRO HDx H 1 3.699 0.008 A 8 PRO HDy H 1 3.889 0.004 A 8 PRO HGx H 1 1.944 0.000 A 9 CYS HA H 1 4.049 0.007 A 9 CYS HBx H 1 2.671 0.004 A 9 CYS HBy H 1 2.977 0.004 A 10 GLU HA H 1 4.365 0.000 A 10 GLU HBy H 1 2.119 0.001 A 10 GLU HGx H 1 2.506 0.000 A 10 GLU HGy H 1 2.535 0.007 A 11 ASP H H 1 7.970 0.002 A 11 ASP HA H 1 4.679 0.000 A 11 ASP HBx H 1 2.974 0.000 A 12 VAL H H 1 7.452 0.003 A 12 VAL HA H 1 4.596 0.002 A 12 VAL HB H 1 2.509 0.002 A 12 VAL HGy% H 1 0.850 0.003 A 13 ASN H H 1 7.709 0.000 A 13 ASN HA H 1 4.369 0.003 A 13 ASN HBx H 1 2.980 0.000 A 13 ASN HBy H 1 3.088 0.001 A 13 ASN HD2x H 1 6.876 0.000 A 13 ASN HD2y H 1 7.480 0.000 A 14 GLY H H 1 7.550 0.000 A 14 GLY HAx H 1 3.313 0.000 A 14 GLY HAy H 1 4.578 0.000 A 15 GLN H H 1 8.861 0.003 A 15 GLN HA H 1 4.554 0.000 A 15 GLN HBx H 1 1.859 0.006 A 15 GLN HBy H 1 1.930 0.001 A 15 GLN HE2x H 1 6.893 0.003 A 15 GLN HE2y H 1 7.568 0.002 A 15 GLN HGx H 1 2.278 0.001 A 16 CYS H H 1 9.086 0.001 A 16 CYS HA H 1 5.233 0.002 A 16 CYS HBx H 1 2.909 0.009 A 16 CYS HBy H 1 2.954 0.006 A 17 GLN H H 1 9.471 0.001 A 17 GLN HA H 1 5.105 0.001 A 17 GLN HBx H 1 1.993 0.000 A 17 GLN HBy H 1 2.161 0.003 A 17 GLN HE2x H 1 6.792 0.001 A 17 GLN HE2y H 1 7.133 0.001 A 17 GLN HGx H 1 2.258 0.002 A 17 GLN HGy H 1 2.426 0.002 A 18 PRO HA H 1 4.623 0.001 A 18 PRO HBx H 1 2.064 0.003 A 18 PRO HBy H 1 2.417 0.002 A 18 PRO HDx H 1 3.732 0.005 A 18 PRO HDy H 1 3.872 0.007 A 18 PRO HGx H 1 1.968 0.000 A 19 ARG H H 1 8.284 0.000 A 19 ARG HA H 1 3.927 0.001 A 19 ARG HBx H 1 1.734 0.002 A 19 ARG HBy H 1 1.807 0.002 A 19 ARG HDx H 1 3.181 0.000 A 19 ARG HGx H 1 1.570 0.002 A 20 GLY H H 1 8.550 0.002 A 20 GLY HAx H 1 3.879 0.004 A 20 GLY HAy H 1 4.002 0.003 A 21 ASN H H 1 7.667 0.000 A 21 ASN HA H 1 5.007 0.002 A 21 ASN HBx H 1 2.731 0.000 A 21 ASN HBy H 1 2.837 0.003 A 21 ASN HD2x H 1 7.119 0.001 A 21 ASN HD2y H 1 7.525 0.001 A 22 PRO HA H 1 4.368 0.002 A 22 PRO HBx H 1 2.117 0.003 A 22 PRO HBy H 1 2.276 0.004 A 22 PRO HDx H 1 3.632 0.002 A 22 PRO HDy H 1 3.921 0.006 A 22 PRO HGx H 1 1.906 0.005 A 22 PRO HGy H 1 2.023 0.000 A 23 CYS H H 1 8.354 0.001 A 23 CYS HA H 1 4.820 0.002 A 23 CYS HBx H 1 2.981 0.002 A 23 CYS HBy H 1 3.218 0.007 A 24 LEU H H 1 9.047 0.001 A 24 LEU HA H 1 4.595 0.003 A 24 LEU HBx H 1 1.721 0.002 A 24 LEU HDx% H 1 0.937 0.001 A 24 LEU HDy% H 1 0.992 0.001 A 25 ARG H H 1 8.252 0.001 A 25 ARG HA H 1 4.498 0.000 A 25 ARG HBx H 1 1.793 0.007 A 25 ARG HBy H 1 1.840 0.002 A 25 ARG HDx H 1 3.240 0.000 A 25 ARG HE H 1 7.382 0.001 A 25 ARG HGx H 1 1.669 0.008 A 26 LEU H H 1 7.995 0.002 A 26 LEU HA H 1 4.648 0.006 A 26 LEU HBx H 1 1.293 0.004 A 26 LEU HBy H 1 1.368 0.000 A 26 LEU HDx% H 1 0.806 0.002 A 26 LEU HDy% H 1 0.923 0.006 A 26 LEU HG H 1 1.569 0.006 A 27 ARG H H 1 8.615 0.001 A 27 ARG HA H 1 4.351 0.002 A 27 ARG HBx H 1 1.771 0.004 A 27 ARG HBy H 1 1.811 0.012 A 27 ARG HDx H 1 3.217 0.004 A 27 ARG HGx H 1 1.637 0.006 A 28 GLY H H 1 8.372 0.000 A 28 GLY HAy H 1 3.954 0.000 A 29 ALA H H 1 8.963 0.008 A 29 ALA HA H 1 4.559 0.003 A 29 ALA HB% H 1 1.269 0.003 A 30 CYS H H 1 8.550 0.003 A 30 CYS HA H 1 5.075 0.000 A 30 CYS HBx H 1 2.313 0.000 A 30 CYS HBy H 1 3.265 0.003 A 31 PRO HA H 1 4.492 0.003 A 31 PRO HBx H 1 2.025 0.002 A 31 PRO HBy H 1 2.411 0.001 A 31 PRO HDx H 1 3.570 0.005 A 31 PRO HDy H 1 3.867 0.009 A 31 PRO HGx H 1 1.857 0.008 A 31 PRO HGy H 1 1.982 0.001 A 32 ARG H H 1 8.549 0.000 A 32 ARG HA H 1 4.119 0.004 A 32 ARG HBx H 1 1.786 0.001 A 32 ARG HBy H 1 1.872 0.004 A 32 ARG HDx H 1 3.263 0.001 A 32 ARG HGx H 1 1.647 0.004 A 33 GLY H H 1 9.072 0.001 A 33 GLY HAx H 1 3.703 0.003 A 33 GLY HAy H 1 4.431 0.002 A 34 SER H H 1 8.285 0.001 A 34 SER HA H 1 5.177 0.001 A 34 SER HBx H 1 3.636 0.003 A 34 SER HBy H 1 3.636 0.003 A 35 ARG H H 1 9.225 0.001 A 35 ARG HA H 1 4.725 0.000 A 35 ARG HBx H 1 1.636 0.000 A 35 ARG HBy H 1 1.809 0.003 A 35 ARG HDx H 1 3.147 0.000 A 35 ARG HE H 1 7.607 0.000 A 36 CYS H H 1 8.578 0.001 A 36 CYS HA H 1 4.694 0.001 A 36 CYS HBx H 1 2.981 0.003 A 36 CYS HBy H 1 3.164 0.000 A 37 CYS H H 1 8.779 0.000 A 37 CYS HA H 1 5.389 0.002 A 37 CYS HBx H 1 2.746 0.003 A 37 CYS HBy H 1 3.426 0.006 A 38 MET H H 1 9.100 0.003 A 38 MET HA H 1 4.694 0.002 A 38 MET HBx H 1 2.017 0.002 A 38 MET HBy H 1 2.280 0.002 A 38 MET HGx H 1 2.737 0.005 A 39 PRO HA H 1 4.496 0.001 A 39 PRO HBx H 1 2.104 0.004 A 39 PRO HBy H 1 2.241 0.003 A 39 PRO HDx H 1 3.888 0.001 A 39 PRO HDy H 1 4.192 0.003 A 39 PRO HGx H 1 1.885 0.000 A 39 PRO HGy H 1 1.910 0.000 A 40 THR H H 1 8.335 0.001 A 40 THR HA H 1 4.341 0.002 A 40 THR HB H 1 4.194 0.001 A 40 THR HG2% H 1 1.236 0.001 A 41 VAL H H 1 8.168 0.000 A 41 VAL HA H 1 4.147 0.001 A 41 VAL HB H 1 2.068 0.001 A 41 VAL HGy% H 1 0.948 0.002 A 42 ALA H H 1 8.399 0.000 A 42 ALA HA H 1 4.300 0.003 A 42 ALA HB% H 1 1.377 0.001 A 43 ALA H H 1 8.299 0.000 A 43 ALA HA H 1 4.261 0.002 A 43 ALA HB% H 1 1.356 0.002 A 44 HIS H H 1 8.449 0.000 A 44 HIS HA H 1 4.687 0.000 A 44 HIS HBx H 1 3.196 0.001 A 44 HIS HBy H 1 3.306 0.001 A 44 HIS HD2 H 1 7.332 0.001 A 44 HIS HE1 H 1 8.623 0.002 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 16 CYS HA A 17 GLN H 1.0 . 2.81 2 2 A 34 SER HA A 35 ARG H 1.0 . 3.03 3 3 A 37 CYS HA A 38 MET H 1.0 . 2.96 4 4 A 37 CYS HA A 24 LEU H 1.0 . 4.87 5 5 A 37 CYS HA A 26 LEU H 1.0 . 3.54 6 6 A 16 CYS HA A 37 CYS H 1.0 . 3.83 7 7 A 17 GLN HA A 21 ASN HD2y 1.0 . 4.55 8 8 A 21 ASN HA A 21 ASN HD2x 1.0 . 4.76 9 9 A 24 LEU H A 23 CYS HA 1.0 . 3.47 10 10 A 17 GLN H A 36 CYS HA 1.0 . 4.29 11 11 A 15 GLN H A 38 MET HA 1.0 . 3.91 12 12 A 37 CYS H A 36 CYS HA 1.0 . 2.85 13 13 A 44 HIS HA A 44 HIS HE1 1.0 . 5.50 14 14 A 35 ARG H A 18 PRO HA 1.0 . 4.17 15 15 A 15 GLN H A 14 GLY HAx 1.0 . 2.99 16 16 A 15 GLN HA A 16 CYS H 1.0 . 2.74 17 17 A 37 CYS H A 15 GLN HA 1.0 . 4.89 18 18 A 26 LEU H A 25 ARG HA 1.0 . 2.80 19 19 A 13 ASN H A 13 ASN HA 1.0 . 2.76 20 20 A 40 THR HA A 41 VAL H 1.0 . 2.87 21 21 A 15 GLN H A 39 PRO HDy 1.0 . 3.95 22 22 A 40 THR H A 40 THR HB 1.0 . 3.78 23 23 A 41 VAL HA A 42 ALA H 1.0 . 3.00 24 24 A 32 ARG HA A 33 GLY H 1.0 . 2.78 25 25 A 32 ARG HA A 34 SER H 1.0 . 3.85 26 26 A 19 ARG HA A 35 ARG HE 1.0 . 4.95 27 27 A 19 ARG HA A 21 ASN H 1.0 . 4.23 28 28 A 38 MET H A 39 PRO HDx 1.0 . 5.07 29 29 A 15 GLN H A 39 PRO HDx 1.0 . 4.71 30 30 A 21 ASN HD2x A 18 PRO HDy 1.0 . 4.54 31 31 A 21 ASN HD2y A 18 PRO HDy 1.0 . 4.48 32 32 A 17 GLN H A 18 PRO HDy 1.0 . 5.20 33 33 A 3 ARG H A 7 PRO HDy 1.0 . 4.88 34 34 A 7 PRO HDy A 4 ARG H 1.0 . 5.04 35 35 A 21 ASN HD2x A 18 PRO HDx 1.0 . 4.21 36 36 A 21 ASN HD2y A 18 PRO HDx 1.0 . 4.22 37 37 A 4 ARG H A 7 PRO HDx 1.0 . 5.50 38 38 A 17 GLN H A 34 SER HBx 1.0 . 3.70 39 38 A 17 GLN H A 34 SER HBy 1.0 . 3.70 40 39 A 35 ARG H A 34 SER HBx 1.0 . 3.15 41 39 A 35 ARG H A 34 SER HBy 1.0 . 3.15 42 40 A 34 SER H A 34 SER HBx 1.0 . 3.51 43 40 A 34 SER H A 34 SER HBy 1.0 . 3.51 44 41 A 21 ASN H A 22 PRO HDy 1.0 . 4.85 45 42 A 30 CYS H A 31 PRO HDx 1.0 . 4.96 46 43 A 37 CYS H A 37 CYS HBy 1.0 . 3.89 47 44 A 15 GLN H A 14 GLY HAy 1.0 . 3.19 48 45 A 34 SER H A 30 CYS HBy 1.0 . 5.41 49 46 A 23 CYS H A 23 CYS HBy 1.0 . 3.64 50 47 A 37 CYS H A 36 CYS HBy 1.0 . 4.40 51 48 A 36 CYS HBy A 36 CYS H 1.0 . 3.26 52 49 A 26 LEU H A 36 CYS HBy 1.0 . 4.25 53 50 A 23 CYS H A 23 CYS HBx 1.0 . 3.64 54 51 A 13 ASN H A 13 ASN HBx 1.0 . 4.08 55 52 A 36 CYS H A 36 CYS HBx 1.0 . 3.12 56 53 A 37 CYS H A 36 CYS HBx 1.0 . 4.58 57 54 A 16 CYS H A 16 CYS HBx 1.0 . 2.90 58 55 A 17 GLN H A 16 CYS HBy 1.0 . 4.05 59 56 A 21 ASN HD2y A 21 ASN HBy 1.0 . 4.08 60 57 A 37 CYS H A 37 CYS HBx 1.0 . 3.89 61 58 A 21 ASN H A 21 ASN HBx 1.0 . 3.86 62 59 A 21 ASN HD2y A 21 ASN HBx 1.0 . 4.08 63 60 A 13 ASN H A 12 VAL HB 1.0 . 4.41 64 61 A 17 GLN H A 17 GLN HGx 1.0 . 3.97 65 62 A 21 ASN HD2y A 18 PRO HBx 1.0 . 4.54 66 63 A 18 PRO HBx A 19 ARG H 1.0 . 3.71 67 64 A 21 ASN HD2x A 18 PRO HBx 1.0 . 4.80 68 65 A 18 PRO HBx A 20 GLY H 1.0 . 3.64 69 66 A 31 PRO HBx A 32 ARG H 1.0 . 4.04 70 67 A 30 CYS H A 30 CYS HBx 1.0 . 3.52 71 68 A 38 MET H A 38 MET HBy 1.0 . 3.27 72 69 A 17 GLN H A 17 GLN HGy 1.0 . 3.70 73 70 A 21 ASN HD2y A 17 GLN HGy 1.0 . 4.76 74 71 A 40 THR H A 39 PRO HBy 1.0 . 3.98 75 72 A 21 ASN HD2x A 17 GLN HBy 1.0 . 4.95 76 73 A 10 GLU HBx A 11 ASP H 1.0 . 3.74 77 74 A 40 THR H A 39 PRO HBx 1.0 . 3.98 78 75 A 42 ALA H A 41 VAL HB 1.0 . 4.32 79 76 A 41 VAL H A 41 VAL HB 1.0 . 3.94 80 77 A 21 ASN HD2y A 18 PRO HBy 1.0 . 4.54 81 78 A 19 ARG H A 18 PRO HBy 1.0 . 4.06 82 79 A 32 ARG H A 31 PRO HBy 1.0 . 3.83 83 80 A 21 ASN HD2x A 17 GLN HBx 1.0 . 4.95 84 81 A 21 ASN HD2x A 18 PRO HGx 1.0 . 5.19 85 82 A 21 ASN H A 18 PRO HGx 1.0 . 5.20 86 83 A 19 ARG H A 18 PRO HGx 1.0 . 4.00 87 84 A 21 ASN HD2y A 18 PRO HGx 1.0 . 3.92 88 85 A 15 GLN H A 15 GLN HBy 1.0 . 3.78 89 86 A 16 CYS H A 15 GLN HBy 1.0 . 4.04 90 87 A 23 CYS H A 22 PRO HGx 1.0 . 3.26 91 88 A 33 GLY H A 32 ARG HBy 1.0 . 4.70 92 89 A 35 ARG HE A 35 ARG HBy 1.0 . 3.99 93 90 A 33 GLY H A 32 ARG HBx 1.0 . 4.70 94 91 A 27 ARG H A 27 ARG HBx 1.0 . 3.19 95 92 A 24 LEU H A 24 LEU HBy 1.0 . 3.40 96 93 A 35 ARG HE A 35 ARG HBx 1.0 . 3.99 97 94 A 35 ARG H A 35 ARG HBx 1.0 . 3.90 98 95 A 26 LEU H A 26 LEU HG 1.0 . 4.13 99 96 A 42 ALA H A 42 ALA HB% 1.0 . 3.66 100 97 A 26 LEU H A 26 LEU HBx 1.0 . 3.54 101 98 A 26 LEU H A 26 LEU HBy 1.0 . 3.82 102 99 A 30 CYS H A 29 ALA HB% 1.0 . 3.86 103 100 A 40 THR H A 40 THR HG2% 1.0 . 3.99 104 101 A 41 VAL H A 40 THR HG2% 1.0 . 4.12 105 102 A 38 MET H A 26 LEU HDy% 1.0 . 5.47 106 103 A 26 LEU H A 26 LEU HDy% 1.0 . 4.65 107 104 A 26 LEU H A 26 LEU HDx% 1.0 . 4.41 108 105 A 38 MET H A 26 LEU HDx% 1.0 . 4.08 109 106 A 15 GLN H A 26 LEU HDx% 1.0 . 4.01 110 107 A 31 PRO HDx A 16 CYS HBx 1.0 . 3.79 111 108 A 16 CYS HBx A 34 SER HBx 1.0 . 3.76 112 108 A 34 SER HBy A 16 CYS HBx 1.0 . 3.76 113 109 A 30 CYS HBx A 31 PRO HDy 1.0 . 5.50 114 110 A 32 ARG HA A 33 GLY HAx 1.0 . 4.88 115 111 A 30 CYS HBy A 35 ARG HA 1.0 . 4.00 116 112 A 30 CYS HBx A 35 ARG HA 1.0 . 3.52 117 113 A 36 CYS HA A 36 CYS HBx 1.0 . 2.84 118 114 A 38 MET HA A 14 GLY HAy 1.0 . 4.70 119 115 A 16 CYS HBy A 35 ARG HA 1.0 . 5.50 120 116 A 38 MET HA A 26 LEU HDx% 1.0 . 3.15 121 117 A 26 LEU HG A 26 LEU HA 1.0 . 3.52 122 118 A 26 LEU HDy% A 26 LEU HA 1.0 . 2.79 123 119 A 24 LEU HA A 24 LEU HDy% 1.0 . 4.13 124 120 A 14 GLY HAx A 26 LEU HDx% 1.0 . 3.88 125 121 A 15 GLN HA A 16 CYS HBx 1.0 . 5.19 126 122 A 25 ARG HA A 37 CYS HBx 1.0 . 4.76 127 123 A 13 ASN HA A 14 GLY HAy 1.0 . 5.08 128 124 A 39 PRO HDy A 26 LEU HDx% 1.0 . 3.90 129 125 A 39 PRO HDy A 14 GLY HAy 1.0 . 4.00 130 126 A 7 PRO HBx A 8 PRO HDy 1.0 . 3.37 131 127 A 39 PRO HDx A 38 MET HBy 1.0 . 4.08 132 128 A 29 ALA HB% A 8 PRO HDy 1.0 . 5.36 133 129 A 39 PRO HDx A 26 LEU HDx% 1.0 . 4.09 134 130 A 16 CYS HBy A 31 PRO HDy 1.0 . 4.53 135 131 A 30 CYS HBy A 31 PRO HDy 1.0 . 4.04 136 132 A 18 PRO HDx A 17 GLN HGy 1.0 . 4.77 137 133 A 29 ALA HB% A 8 PRO HDx 1.0 . 4.22 138 134 A 7 PRO HBx A 8 PRO HDx 1.0 . 4.28 139 135 A 22 PRO HDy A 21 ASN HBy 1.0 . 4.08 140 136 A 31 PRO HDx A 30 CYS HBy 1.0 . 3.48 141 137 A 31 PRO HDx A 30 CYS HBx 1.0 . 3.67 142 138 A 14 GLY HAy A 26 LEU HDx% 1.0 . 3.34 143 139 A 14 GLY HAy A 26 LEU HDy% 1.0 . 5.08 144 140 A 36 CYS HBy A 26 LEU HDy% 1.0 . 4.66 145 141 A 36 CYS HBy A 26 LEU HBx 1.0 . 3.22 146 142 A 36 CYS HBy A 26 LEU HBy 1.0 . 4.50 147 143 A 36 CYS HBx A 26 LEU HDx% 1.0 . 4.98 148 144 A 16 CYS HBy A 30 CYS HBx 1.0 . 4.34 149 145 A 29 ALA HB% A 8 PRO HBx 1.0 . 3.98 150 146 A 38 MET HBy A 24 LEU HDy% 1.0 . 4.73 151 147 A 38 MET HBy A 24 LEU HDx% 1.0 . 4.73 152 148 A 26 LEU HBy A 8 PRO HBy 1.0 . 5.50 153 149 A 38 MET HBx A 24 LEU HDy% 1.0 . 5.50 154 150 A 26 LEU HDx% A 38 MET HBx 1.0 . 3.98 155 151 A 39 PRO HGy A 41 VAL HGy% 1.0 . 3.55 156 152 A 26 LEU HBx A 26 LEU HDy% 1.0 . 3.99 157 153 A 26 LEU HBx A 26 LEU HDx% 1.0 . 3.42 158 154 A 26 LEU HBy A 26 LEU HDx% 1.0 . 3.41 159 155 A 41 VAL HB A 42 ALA HB% 1.0 . 5.50 160 156 A 26 LEU HBx A 38 MET HBx 1.0 . 5.50 161 157 A 26 LEU HBy A 8 PRO HBx 1.0 . 4.01 162 158 A 10 GLU HBx A 29 ALA HB% 1.0 . 5.45 163 159 A 29 ALA HB% A 27 ARG HBy 1.0 . 5.50 164 160 A 39 PRO HGx A 41 VAL HGy% 1.0 . 3.55 165 161 A 38 MET HBx A 24 LEU HDx% 1.0 . 5.50 166 162 A 38 MET HBy A 26 LEU HDx% 1.0 . 4.02 167 163 A 16 CYS HBx A 31 PRO HGx 1.0 . 5.50 168 164 A 16 CYS HBy A 31 PRO HGx 1.0 . 3.62 169 165 A 36 CYS HBx A 30 CYS HBx 1.0 . 3.68 170 166 A 31 PRO HDy A 30 CYS HA 1.0 . 3.23 171 167 A 17 GLN HA A 18 PRO HBy 1.0 . 4.90 172 168 A 16 CYS HBy A 30 CYS HA 1.0 . 4.69 173 169 A 31 PRO HDx A 30 CYS HA 1.0 . 3.27 174 170 A 18 PRO HA A 34 SER HBx 1.0 . 4.33 175 170 A 18 PRO HA A 34 SER HBy 1.0 . 4.33 176 171 A 38 MET HA A 39 PRO HDy 1.0 . 3.82 177 172 A 30 CYS HBy A 16 CYS HBy 1.0 . 4.97 178 173 A 30 CYS HBy A 36 CYS HBx 1.0 . 5.50 179 174 A 38 MET HBy A 24 LEU HBy 1.0 . 3.57 180 175 A 37 CYS H A 16 CYS H 1.0 . 5.03 181 176 A 38 MET H A 37 CYS H 1.0 . 5.33 182 177 A 35 ARG H A 34 SER H 1.0 . 4.39 183 178 A 17 GLN H A 35 ARG H 1.0 . 3.44 184 179 A 17 GLN H A 16 CYS H 1.0 . 4.37 185 180 A 17 GLN H A 37 CYS H 1.0 . 4.25 186 181 A 35 ARG H A 36 CYS H 1.0 . 4.48 187 182 A 38 MET H A 26 LEU H 1.0 . 4.69 188 183 A 33 GLY H A 32 ARG H 1.0 . 4.74 189 184 A 33 GLY H A 34 SER H 1.0 . 3.27 190 185 A 24 LEU H A 23 CYS H 1.0 . 4.76 191 186 A 21 ASN H A 20 GLY H 1.0 . 3.84 192 187 A 37 CYS H A 36 CYS H 1.0 . 4.61 193 188 A 37 CYS H A 15 GLN H 1.0 . 3.77 194 189 A 15 GLN H A 16 CYS H 1.0 . 4.77 195 190 A 19 ARG H A 20 GLY H 1.0 . 3.85 196 191 A 41 VAL H A 40 THR H 1.0 . 4.38 197 192 A 41 VAL H A 42 ALA H 1.0 . 4.66 198 193 A 26 LEU H A 25 ARG H 1.0 . 4.66 199 194 A 13 ASN H A 14 GLY H 1.0 . 3.49 200 195 A 13 ASN H A 12 VAL H 1.0 . 3.14 201 196 A 14 GLY H A 12 VAL H 1.0 . 4.84 202 197 A 11 ASP H A 12 VAL H 1.0 . 3.53 203 198 A 13 ASN H A 11 ASP H 1.0 . 4.57 204 199 A 15 GLN H A 14 GLY H 1.0 . 4.75 205 200 A 17 GLN H A 16 CYS HBx 1.0 . 4.57 206 201 A 35 ARG H A 16 CYS HBx 1.0 . 5.50 207 202 A 35 ARG H A 16 CYS HBy 1.0 . 4.74 208 203 A 18 PRO HA A 20 GLY H 1.0 . 5.50 209 204 A 18 PRO HA A 19 ARG H 1.0 . 3.29 210 205 A 24 LEU HA A 25 ARG H 1.0 . 3.22 211 206 A 37 CYS H A 25 ARG HA 1.0 . 5.40 212 207 A 27 ARG HA A 28 GLY H 1.0 . 2.92 213 208 A 3 ARG H A 7 PRO HDx 1.0 . 5.10 214 209 A 13 ASN H A 13 ASN HBy 1.0 . 4.08 215 210 A 21 ASN H A 21 ASN HBy 1.0 . 3.86 216 211 A 15 GLN H A 37 CYS HBx 1.0 . 5.50 217 212 A 36 CYS H A 30 CYS HBx 1.0 . 3.98 218 213 A 17 GLN H A 17 GLN HBy 1.0 . 3.92 219 214 A 21 ASN HD2x A 18 PRO HBy 1.0 . 5.50 220 215 A 23 CYS H A 22 PRO HGy 1.0 . 4.55 221 216 A 38 MET H A 38 MET HBx 1.0 . 3.41 222 217 A 17 GLN H A 17 GLN HBx 1.0 . 3.92 223 218 A 16 CYS H A 15 GLN HBx 1.0 . 4.04 224 219 A 15 GLN H A 15 GLN HBx 1.0 . 3.78 225 220 A 35 ARG H A 35 ARG HBy 1.0 . 3.90 226 221 A 19 ARG H A 19 ARG HBy 1.0 . 3.69 227 222 A 19 ARG H A 19 ARG HBx 1.0 . 3.69 228 223 A 38 MET H A 24 LEU HBy 1.0 . 3.15 229 224 A 38 MET H A 26 LEU HG 1.0 . 4.10 230 225 A 29 ALA HB% A 29 ALA H 1.0 . 2.85 231 226 A 17 GLN HA A 18 PRO HDx 1.0 . 3.16 232 227 A 16 CYS HA A 34 SER HBx 1.0 . 3.54 233 227 A 16 CYS HA A 34 SER HBy 1.0 . 3.54 234 228 A 21 ASN HA A 22 PRO HDy 1.0 . 3.14 235 229 A 30 CYS HBy A 30 CYS HA 1.0 . 2.85 236 230 A 16 CYS HA A 17 GLN HGx 1.0 . 4.32 237 231 A 34 SER HA A 18 PRO HBx 1.0 . 5.41 238 232 A 37 CYS HA A 17 GLN HGy 1.0 . 5.04 239 233 A 16 CYS HA A 17 GLN HGy 1.0 . 4.30 240 234 A 17 GLN HA A 17 GLN HGy 1.0 . 3.88 241 235 A 31 PRO HBy A 30 CYS HA 1.0 . 5.04 242 236 A 37 CYS HA A 38 MET HBx 1.0 . 4.37 243 237 A 37 CYS HA A 24 LEU HBy 1.0 . 5.02 244 238 A 37 CYS HA A 26 LEU HG 1.0 . 4.62 245 239 A 37 CYS HA A 26 LEU HBx 1.0 . 5.39 246 240 A 29 ALA HB% A 30 CYS HA 1.0 . 4.98 247 241 A 37 CYS HA A 26 LEU HDy% 1.0 . 5.50 248 242 A 37 CYS HA A 26 LEU HDx% 1.0 . 4.40 249 243 A 24 LEU HA A 24 LEU HDx% 1.0 . 4.13 250 244 A 26 LEU HDy% A 38 MET HBx 1.0 . 4.16 251 245 A 16 CYS HBx A 31 PRO HGy 1.0 . 4.80 252 246 A 16 CYS HBy A 31 PRO HGy 1.0 . 4.72 253 247 A 27 ARG HBx A 27 ARG HA 1.0 . 2.92 254 248 A 40 THR HA A 40 THR HG2% 1.0 . 3.34 255 249 A 31 PRO HDx A 16 CYS HBy 1.0 . 4.40 256 250 A 7 PRO HDx A 3 ARG HA 1.0 . 4.90 257 251 A 25 ARG HA A 37 CYS HBy 1.0 . 4.76 258 252 A 7 PRO HDy A 3 ARG HA 1.0 . 3.73 259 253 A 14 GLY HAx A 39 PRO HDy 1.0 . 3.48 260 254 A 32 ARG HA A 33 GLY HAy 1.0 . 4.88 261 255 A 17 GLN HA A 17 GLN HGx 1.0 . 3.64 262 256 A 25 ARG HA A 26 LEU HBx 1.0 . 4.39 263 257 A 39 PRO HDy A 38 MET HBy 1.0 . 5.50 264 258 A 41 VAL HA A 42 ALA HB% 1.0 . 4.09 265 259 A 16 CYS HBy A 34 SER HBx 1.0 . 3.13 266 259 A 34 SER HBy A 16 CYS HBy 1.0 . 3.13 267 260 A 22 PRO HDy A 21 ASN HBx 1.0 . 4.08 268 261 A 34 SER HA A 18 PRO HA 1.0 . 3.48 269 262 A 37 CYS HA A 25 ARG HA 1.0 . 3.47 270 263 A 21 ASN HA A 22 PRO HDx 1.0 . 2.92 271 264 A 17 GLN HA A 18 PRO HDy 1.0 . 2.79 272 265 A 24 LEU HBy A 24 LEU HDy% 1.0 . 3.24 273 266 A 24 LEU HBy A 24 LEU HDx% 1.0 . 3.24 274 267 A 26 LEU HBy A 26 LEU HDy% 1.0 . 2.40 275 268 A 37 CYS HA A 25 ARG H 1.0 . 5.50 276 269 A 17 GLN H A 30 CYS HBy 1.0 . 5.50 277 270 A 35 ARG H A 30 CYS HBy 1.0 . 5.50 278 271 A 15 GLN H A 37 CYS HBy 1.0 . 5.50 279 272 A 26 LEU H A 37 CYS HBx 1.0 . 5.50 280 273 A 26 LEU H A 37 CYS HBy 1.0 . 5.50 281 274 A 22 PRO HDy A 23 CYS H 1.0 . 4.94 282 275 A 37 CYS H A 17 GLN HGx 1.0 . 5.05 283 276 A 15 GLN H A 17 GLN HGx 1.0 . 5.50 284 277 A 21 ASN H A 18 PRO HBx 1.0 . 5.50 285 278 A 37 CYS H A 17 GLN HGy 1.0 . 4.92 286 279 A 24 LEU H A 38 MET HBy 1.0 . 5.50 287 280 A 8 PRO HBx A 9 CYS HBx 1.0 . 4.46 288 280 A 8 PRO HBx A 9 CYS HBy 1.0 . 4.46 289 281 A 8 PRO HBy A 9 CYS HBx 1.0 . 5.34 290 281 A 8 PRO HBy A 9 CYS HBy 1.0 . 5.34 291 282 A 8 PRO HBy A 12 VAL HGy% 1.0 . 4.58 292 282 A 8 PRO HBy A 12 VAL HG11 1.0 . 4.58 293 283 A 8 PRO HBy A 27 ARG HDx 1.0 . 3.66 294 283 A 8 PRO HBy A 27 ARG HDy 1.0 . 3.66 295 284 A 8 PRO HGx A 9 CYS HBx 1.0 . 3.49 296 284 A 9 CYS HBy A 8 PRO HGx 1.0 . 3.49 297 285 A 8 PRO HGx A 12 VAL HGy% 1.0 . 5.44 298 285 A 12 VAL HG11 A 8 PRO HGx 1.0 . 5.44 299 286 A 8 PRO HGx A 27 ARG HDx 1.0 . 5.34 300 286 A 27 ARG HDy A 8 PRO HGx 1.0 . 5.34 301 287 A 8 PRO HDy A 27 ARG HDx 1.0 . 5.34 302 287 A 8 PRO HDy A 27 ARG HDy 1.0 . 5.34 303 288 A 10 GLU HBx A 9 CYS HBx 1.0 . 4.55 304 288 A 10 GLU HBx A 9 CYS HBy 1.0 . 4.55 305 289 A 29 ALA HA A 9 CYS HBx 1.0 . 5.34 306 289 A 9 CYS HBy A 29 ALA HA 1.0 . 5.34 307 290 A 29 ALA HB% A 9 CYS HBx 1.0 . 3.02 308 290 A 29 ALA HB% A 9 CYS HBy 1.0 . 3.02 309 291 A 30 CYS HA A 9 CYS HBx 1.0 . 5.13 310 291 A 30 CYS HA A 9 CYS HBy 1.0 . 5.13 311 292 A 10 GLU HA A 10 GLU HGx 1.0 . 3.13 312 292 A 10 GLU HA A 10 GLU HGy 1.0 . 3.13 313 293 A 11 ASP H A 10 GLU HGx 1.0 . 4.41 314 293 A 11 ASP H A 10 GLU HGy 1.0 . 4.41 315 294 A 11 ASP H A 11 ASP HBy 1.0 . 3.02 316 294 A 11 ASP H A 11 ASP HBx 1.0 . 3.02 317 295 A 11 ASP H A 12 VAL HGy% 1.0 . 4.64 318 295 A 11 ASP H A 12 VAL HG11 1.0 . 4.64 319 296 A 12 VAL HA A 11 ASP HBy 1.0 . 4.21 320 296 A 11 ASP HBx A 12 VAL HA 1.0 . 4.21 321 297 A 12 VAL HB A 11 ASP HBy 1.0 . 5.00 322 297 A 12 VAL HB A 11 ASP HBx 1.0 . 5.00 323 298 A 12 VAL HG11 A 11 ASP HBx 1.0 . 3.52 324 299 A 12 VAL HG11 A 11 ASP HBy 1.0 . 3.52 325 300 A 12 VAL H A 12 VAL HGy% 1.0 . 3.20 326 300 A 12 VAL H A 12 VAL HG11 1.0 . 3.20 327 301 A 12 VAL HA A 12 VAL HGy% 1.0 . 2.83 328 301 A 12 VAL HG11 A 12 VAL HA 1.0 . 2.83 329 302 A 12 VAL HA A 13 ASN HD2y 1.0 . 3.58 330 302 A 12 VAL HA A 13 ASN HD2x 1.0 . 3.58 331 303 A 12 VAL HB A 13 ASN HD2y 1.0 . 5.34 332 303 A 12 VAL HB A 13 ASN HD2x 1.0 . 5.34 333 304 A 13 ASN H A 12 VAL HGy% 1.0 . 4.17 334 304 A 13 ASN H A 12 VAL HG11 1.0 . 4.17 335 305 A 13 ASN H A 13 ASN HBx 1.0 . 3.52 336 305 A 13 ASN H A 13 ASN HBy 1.0 . 3.52 337 306 A 13 ASN H A 13 ASN HD2y 1.0 . 4.27 338 306 A 13 ASN H A 13 ASN HD2x 1.0 . 4.27 339 307 A 14 GLY HAx A 13 ASN HBx 1.0 . 4.88 340 307 A 14 GLY HAx A 13 ASN HBy 1.0 . 4.88 341 308 A 14 GLY HAx A 15 GLN HBx 1.0 . 5.34 342 308 A 14 GLY HAx A 15 GLN HBy 1.0 . 5.34 343 309 A 14 GLY HAx A 39 PRO HBx 1.0 . 5.34 344 309 A 14 GLY HAx A 39 PRO HBy 1.0 . 5.34 345 310 A 15 GLN H A 15 GLN HBx 1.0 . 3.08 346 310 A 15 GLN H A 15 GLN HBy 1.0 . 3.08 347 311 A 15 GLN H A 15 GLN HGx 1.0 . 3.81 348 311 A 15 GLN H A 15 GLN HGy 1.0 . 3.81 349 312 A 15 GLN H A 37 CYS HBx 1.0 . 4.79 350 312 A 15 GLN H A 37 CYS HBy 1.0 . 4.79 351 313 A 15 GLN H A 38 MET HGx 1.0 . 5.34 352 313 A 15 GLN H A 38 MET HGy 1.0 . 5.34 353 314 A 15 GLN H A 39 PRO HBx 1.0 . 5.34 354 314 A 15 GLN H A 39 PRO HBy 1.0 . 5.34 355 315 A 15 GLN HA A 15 GLN HGx 1.0 . 3.00 356 315 A 15 GLN HA A 15 GLN HGy 1.0 . 3.00 357 316 A 16 CYS H A 15 GLN HBx 1.0 . 3.34 358 316 A 16 CYS H A 15 GLN HBy 1.0 . 3.34 359 317 A 17 GLN HGy A 15 GLN HBx 1.0 . 5.34 360 317 A 17 GLN HGy A 15 GLN HBy 1.0 . 5.34 361 318 A 37 CYS H A 15 GLN HBx 1.0 . 4.33 362 318 A 37 CYS H A 15 GLN HBy 1.0 . 4.33 363 319 A 39 PRO HA A 15 GLN HBx 1.0 . 5.34 364 319 A 15 GLN HBy A 39 PRO HA 1.0 . 5.34 365 320 A 39 PRO HDy A 15 GLN HBx 1.0 . 5.34 366 320 A 39 PRO HDy A 15 GLN HBy 1.0 . 5.34 367 321 A 39 PRO HDy A 15 GLN HGx 1.0 . 4.72 368 321 A 39 PRO HDy A 15 GLN HGy 1.0 . 4.72 369 322 A 17 GLN H A 17 GLN HBx 1.0 . 3.39 370 322 A 17 GLN H A 17 GLN HBy 1.0 . 3.39 371 323 A 17 GLN H A 35 ARG HBy 1.0 . 5.08 372 323 A 17 GLN H A 35 ARG HBx 1.0 . 5.08 373 324 A 17 GLN H A 35 ARG HDx 1.0 . 5.34 374 324 A 17 GLN H A 35 ARG HDy 1.0 . 5.34 375 325 A 17 GLN H A 37 CYS HBx 1.0 . 5.34 376 325 A 17 GLN H A 37 CYS HBy 1.0 . 5.34 377 326 A 17 GLN HA A 37 CYS HBx 1.0 . 5.34 378 326 A 17 GLN HA A 37 CYS HBy 1.0 . 5.34 379 327 A 18 PRO HDx A 17 GLN HBx 1.0 . 3.27 380 327 A 18 PRO HDx A 17 GLN HBy 1.0 . 3.27 381 328 A 18 PRO HDy A 17 GLN HBx 1.0 . 3.63 382 328 A 18 PRO HDy A 17 GLN HBy 1.0 . 3.63 383 329 A 21 ASN HD2x A 17 GLN HBx 1.0 . 4.13 384 329 A 21 ASN HD2x A 17 GLN HBy 1.0 . 4.13 385 330 A 21 ASN HD2y A 17 GLN HBx 1.0 . 4.14 386 330 A 21 ASN HD2y A 17 GLN HBy 1.0 . 4.14 387 331 A 35 ARG H A 17 GLN HBx 1.0 . 4.59 388 331 A 35 ARG H A 17 GLN HBy 1.0 . 4.59 389 332 A 17 GLN HGx A 17 GLN HE2y 1.0 . 3.59 390 332 A 17 GLN HGx A 17 GLN HE2x 1.0 . 3.59 391 333 A 17 GLN HGx A 37 CYS HBx 1.0 . 3.55 392 333 A 17 GLN HGx A 37 CYS HBy 1.0 . 3.55 393 334 A 17 GLN HGy A 37 CYS HBx 1.0 . 3.11 394 334 A 17 GLN HGy A 37 CYS HBy 1.0 . 3.11 395 335 A 18 PRO HBy A 19 ARG HDx 1.0 . 5.34 396 335 A 18 PRO HBy A 19 ARG HDy 1.0 . 5.34 397 336 A 19 ARG H A 19 ARG HBy 1.0 . 2.91 398 336 A 19 ARG H A 19 ARG HBx 1.0 . 2.91 399 337 A 19 ARG H A 19 ARG HGx 1.0 . 3.31 400 337 A 19 ARG H A 19 ARG HGy 1.0 . 3.31 401 338 A 19 ARG H A 19 ARG HDx 1.0 . 4.09 402 338 A 19 ARG H A 19 ARG HDy 1.0 . 4.09 403 339 A 19 ARG HA A 19 ARG HGx 1.0 . 3.42 404 339 A 19 ARG HA A 19 ARG HGy 1.0 . 3.42 405 340 A 19 ARG HA A 19 ARG HDx 1.0 . 4.37 406 340 A 19 ARG HA A 19 ARG HDy 1.0 . 4.37 407 341 A 19 ARG HA A 35 ARG HBy 1.0 . 5.34 408 341 A 19 ARG HA A 35 ARG HBx 1.0 . 5.34 409 342 A 19 ARG HA A 35 ARG HDx 1.0 . 4.01 410 342 A 19 ARG HA A 35 ARG HDy 1.0 . 4.01 411 343 A 20 GLY H A 19 ARG HGx 1.0 . 4.61 412 343 A 20 GLY H A 19 ARG HGy 1.0 . 4.61 413 344 A 21 ASN HA A 22 PRO HBx 1.0 . 5.23 414 344 A 21 ASN HA A 22 PRO HBy 1.0 . 5.23 415 345 A 21 ASN HD2y A 21 ASN HBx 1.0 . 3.54 416 345 A 21 ASN HD2y A 21 ASN HBy 1.0 . 3.54 417 346 A 22 PRO HDx A 21 ASN HBx 1.0 . 2.93 418 346 A 22 PRO HDx A 21 ASN HBy 1.0 . 2.93 419 347 A 22 PRO HDy A 21 ASN HBx 1.0 . 3.56 420 347 A 22 PRO HDy A 21 ASN HBy 1.0 . 3.56 421 348 A 23 CYS H A 21 ASN HBx 1.0 . 5.34 422 348 A 23 CYS H A 21 ASN HBy 1.0 . 5.34 423 349 A 23 CYS H A 22 PRO HBx 1.0 . 3.72 424 349 A 23 CYS H A 22 PRO HBy 1.0 . 3.72 425 350 A 23 CYS H A 23 CYS HBx 1.0 . 3.16 426 350 A 23 CYS H A 23 CYS HBy 1.0 . 3.16 427 351 A 24 LEU H A 23 CYS HBx 1.0 . 3.72 428 351 A 24 LEU H A 23 CYS HBy 1.0 . 3.72 429 352 A 37 CYS HA A 23 CYS HBx 1.0 . 5.34 430 352 A 37 CYS HA A 23 CYS HBy 1.0 . 5.34 431 353 A 38 MET H A 23 CYS HBx 1.0 . 4.98 432 353 A 38 MET H A 23 CYS HBy 1.0 . 4.98 433 354 A 24 LEU H A 37 CYS HBx 1.0 . 4.33 434 354 A 24 LEU H A 37 CYS HBy 1.0 . 4.33 435 355 A 24 LEU HA A 25 ARG HBx 1.0 . 4.29 436 355 A 24 LEU HA A 25 ARG HBy 1.0 . 4.29 437 356 A 24 LEU HBy A 24 LEU HDy% 1.0 . 2.44 438 356 A 24 LEU HBy A 24 LEU HDx% 1.0 . 2.44 439 357 A 24 LEU HBy A 38 MET HGx 1.0 . 4.60 440 357 A 24 LEU HBy A 38 MET HGy 1.0 . 4.60 441 358 A 25 ARG H A 24 LEU HDy% 1.0 . 3.94 442 358 A 25 ARG H A 24 LEU HDx% 1.0 . 3.94 443 359 A 25 ARG HA A 24 LEU HDy% 1.0 . 4.71 444 359 A 25 ARG HA A 24 LEU HDx% 1.0 . 4.71 445 360 A 37 CYS HA A 24 LEU HDy% 1.0 . 5.44 446 360 A 37 CYS HA A 24 LEU HDx% 1.0 . 5.44 447 361 A 38 MET H A 24 LEU HDy% 1.0 . 4.40 448 361 A 38 MET H A 24 LEU HDx% 1.0 . 4.40 449 362 A 38 MET HBx A 24 LEU HDy% 1.0 . 4.40 450 362 A 38 MET HBx A 24 LEU HDx% 1.0 . 4.40 451 363 A 38 MET HBy A 24 LEU HDy% 1.0 . 3.85 452 363 A 38 MET HBy A 24 LEU HDx% 1.0 . 3.85 453 364 A 24 LEU HDx% A 38 MET HGx 1.0 . 2.74 454 364 A 24 LEU HDy% A 38 MET HGx 1.0 . 2.74 455 364 A 38 MET HGy A 24 LEU HDy% 1.0 . 2.74 456 364 A 38 MET HGy A 24 LEU HDx% 1.0 . 2.74 457 365 A 25 ARG H A 25 ARG HBx 1.0 . 2.90 458 365 A 25 ARG H A 25 ARG HBy 1.0 . 2.90 459 366 A 25 ARG H A 25 ARG HGx 1.0 . 4.31 460 366 A 25 ARG H A 25 ARG HGy 1.0 . 4.31 461 367 A 25 ARG H A 25 ARG HDx 1.0 . 4.08 462 367 A 25 ARG H A 25 ARG HDy 1.0 . 4.08 463 368 A 25 ARG HA A 25 ARG HBx 1.0 . 2.62 464 368 A 25 ARG HA A 25 ARG HBy 1.0 . 2.62 465 369 A 25 ARG HA A 25 ARG HGx 1.0 . 3.43 466 369 A 25 ARG HA A 25 ARG HGy 1.0 . 3.43 467 370 A 25 ARG HA A 25 ARG HDx 1.0 . 3.94 468 370 A 25 ARG HA A 25 ARG HDy 1.0 . 3.94 469 371 A 25 ARG HE A 25 ARG HBx 1.0 . 3.49 470 371 A 25 ARG HBy A 25 ARG HE 1.0 . 3.49 471 372 A 26 LEU H A 25 ARG HBx 1.0 . 4.25 472 372 A 26 LEU H A 25 ARG HBy 1.0 . 4.25 473 373 A 26 LEU HBx A 25 ARG HBx 1.0 . 5.34 474 373 A 26 LEU HBx A 25 ARG HBy 1.0 . 5.34 475 374 A 37 CYS HA A 25 ARG HBx 1.0 . 5.22 476 374 A 37 CYS HA A 25 ARG HBy 1.0 . 5.22 477 375 A 26 LEU H A 25 ARG HGx 1.0 . 3.83 478 375 A 26 LEU H A 25 ARG HGy 1.0 . 3.83 479 376 A 26 LEU HBx A 25 ARG HGx 1.0 . 5.34 480 376 A 26 LEU HBx A 25 ARG HGy 1.0 . 5.34 481 377 A 38 MET H A 25 ARG HGx 1.0 . 5.34 482 377 A 38 MET H A 25 ARG HGy 1.0 . 5.34 483 378 A 37 CYS HA A 25 ARG HDx 1.0 . 5.34 484 378 A 37 CYS HA A 25 ARG HDy 1.0 . 5.34 485 379 A 38 MET H A 25 ARG HDx 1.0 . 5.34 486 379 A 38 MET H A 25 ARG HDy 1.0 . 5.34 487 380 A 26 LEU HG A 38 MET HGx 1.0 . 3.86 488 380 A 26 LEU HG A 38 MET HGy 1.0 . 3.86 489 381 A 26 LEU HDx% A 38 MET HGx 1.0 . 3.61 490 381 A 26 LEU HDx% A 38 MET HGy 1.0 . 3.61 491 382 A 26 LEU HDy% A 38 MET HGx 1.0 . 3.67 492 382 A 26 LEU HDy% A 38 MET HGy 1.0 . 3.67 493 383 A 27 ARG H A 27 ARG HGx 1.0 . 4.23 494 383 A 27 ARG H A 27 ARG HGy 1.0 . 4.23 495 384 A 27 ARG H A 27 ARG HDx 1.0 . 3.43 496 384 A 27 ARG H A 27 ARG HDy 1.0 . 3.43 497 385 A 27 ARG HA A 27 ARG HGx 1.0 . 2.85 498 385 A 27 ARG HA A 27 ARG HGy 1.0 . 2.85 499 386 A 27 ARG HA A 27 ARG HDx 1.0 . 3.63 500 386 A 27 ARG HA A 27 ARG HDy 1.0 . 3.63 501 387 A 27 ARG HBx A 27 ARG HDx 1.0 . 2.59 502 387 A 27 ARG HBx A 27 ARG HDy 1.0 . 2.59 503 388 A 27 ARG HBy A 27 ARG HDx 1.0 . 3.39 504 388 A 27 ARG HBy A 27 ARG HDy 1.0 . 3.39 505 389 A 29 ALA HB% A 27 ARG HGx 1.0 . 5.34 506 389 A 29 ALA HB% A 27 ARG HGy 1.0 . 5.34 507 390 A 31 PRO HA A 32 ARG HDx 1.0 . 4.65 508 390 A 31 PRO HA A 32 ARG HDy 1.0 . 4.65 509 391 A 31 PRO HBx A 32 ARG HDx 1.0 . 5.34 510 391 A 31 PRO HBx A 32 ARG HDy 1.0 . 5.34 511 392 A 31 PRO HBy A 32 ARG HDx 1.0 . 4.18 512 392 A 31 PRO HBy A 32 ARG HDy 1.0 . 4.18 513 393 A 32 ARG H A 32 ARG HBy 1.0 . 3.26 514 393 A 32 ARG H A 32 ARG HBx 1.0 . 3.26 515 394 A 32 ARG H A 32 ARG HGx 1.0 . 3.64 516 394 A 32 ARG H A 32 ARG HGy 1.0 . 3.64 517 395 A 32 ARG H A 32 ARG HDx 1.0 . 3.76 518 395 A 32 ARG H A 32 ARG HDy 1.0 . 3.76 519 396 A 32 ARG HA A 32 ARG HBy 1.0 . 2.62 520 396 A 32 ARG HA A 32 ARG HBx 1.0 . 2.62 521 397 A 32 ARG HA A 32 ARG HGx 1.0 . 3.50 522 397 A 32 ARG HA A 32 ARG HGy 1.0 . 3.50 523 398 A 32 ARG HA A 32 ARG HDx 1.0 . 4.24 524 398 A 32 ARG HA A 32 ARG HDy 1.0 . 4.24 525 399 A 32 ARG HA A 33 GLY HAx 1.0 . 4.23 526 399 A 32 ARG HA A 33 GLY HAy 1.0 . 4.23 527 400 A 33 GLY H A 32 ARG HGx 1.0 . 4.18 528 400 A 33 GLY H A 32 ARG HGy 1.0 . 4.18 529 401 A 33 GLY H A 32 ARG HDx 1.0 . 5.33 530 401 A 33 GLY H A 32 ARG HDy 1.0 . 5.33 531 402 A 34 SER HBy A 35 ARG HBy 1.0 . 5.34 532 402 A 34 SER HBx A 35 ARG HBy 1.0 . 5.34 533 402 A 35 ARG HBx A 34 SER HBx 1.0 . 5.34 534 402 A 34 SER HBy A 35 ARG HBx 1.0 . 5.34 535 403 A 35 ARG H A 35 ARG HBy 1.0 . 3.21 536 403 A 35 ARG H A 35 ARG HBx 1.0 . 3.21 537 404 A 35 ARG H A 35 ARG HDx 1.0 . 4.49 538 404 A 35 ARG H A 35 ARG HDy 1.0 . 4.49 539 405 A 35 ARG HE A 35 ARG HBy 1.0 . 3.42 540 405 A 35 ARG HE A 35 ARG HBx 1.0 . 3.42 541 406 A 36 CYS H A 35 ARG HBy 1.0 . 4.27 542 406 A 36 CYS H A 35 ARG HBx 1.0 . 4.27 543 407 A 37 CYS H A 37 CYS HBx 1.0 . 3.15 544 407 A 37 CYS H A 37 CYS HBy 1.0 . 3.15 545 408 A 38 MET H A 37 CYS HBx 1.0 . 3.68 546 408 A 38 MET H A 37 CYS HBy 1.0 . 3.68 547 409 A 38 MET HA A 38 MET HGx 1.0 . 3.23 548 409 A 38 MET HA A 38 MET HGy 1.0 . 3.23 549 410 A 39 PRO HDx A 38 MET HGx 1.0 . 3.43 550 410 A 39 PRO HDx A 38 MET HGy 1.0 . 3.43 551 411 A 39 PRO HDy A 38 MET HGx 1.0 . 4.34 552 411 A 39 PRO HDy A 38 MET HGy 1.0 . 4.34 553 412 A 40 THR H A 39 PRO HBx 1.0 . 3.41 554 412 A 40 THR H A 39 PRO HBy 1.0 . 3.41 555 413 A 39 PRO HGx A 41 VAL HG11 1.0 . 3.55 556 414 A 39 PRO HGy A 41 VAL HG11 1.0 . 3.55 557 415 A 40 THR HA A 41 VAL HGy% 1.0 . 4.34 558 415 A 40 THR HA A 41 VAL HG11 1.0 . 4.34 559 416 A 41 VAL H A 41 VAL HGy% 1.0 . 3.80 560 416 A 41 VAL H A 41 VAL HG11 1.0 . 3.80 561 417 A 42 ALA H A 41 VAL HGy% 1.0 . 4.29 562 417 A 42 ALA H A 41 VAL HG11 1.0 . 4.29 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin undefined _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 9 CYS SG A 36 CYS SG 1.0 . 2.1 2 2 A 9 CYS SG A 36 CYS CB 1.0 . 3.1 3 3 A 36 CYS SG A 9 CYS CB 1.0 . 3.1 4 4 A 16 CYS SG A 30 CYS SG 1.0 . 2.1 5 5 A 16 CYS SG A 30 CYS CB 1.0 . 3.1 6 6 A 30 CYS SG A 16 CYS CB 1.0 . 3.1 7 7 A 23 CYS SG A 37 CYS SG 1.0 . 2.1 8 8 A 23 CYS SG A 37 CYS CB 1.0 . 3.1 9 9 A 37 CYS SG A 23 CYS CB 1.0 . 3.1 stop_ save_ save_DYANA/DIANA_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_5 _nef_distance_restraint_list.restraint_origin undefined _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 9 CYS SG A 36 CYS SG 1.0 . 2.0 2 2 A 9 CYS SG A 36 CYS CB 1.0 . 3.0 3 3 A 36 CYS SG A 9 CYS CB 1.0 . 3.0 4 4 A 16 CYS SG A 30 CYS SG 1.0 . 2.0 5 5 A 16 CYS SG A 30 CYS CB 1.0 . 3.0 6 6 A 30 CYS SG A 16 CYS CB 1.0 . 3.0 7 7 A 23 CYS SG A 37 CYS SG 1.0 . 2.0 8 8 A 23 CYS SG A 37 CYS CB 1.0 . 3.0 9 9 A 37 CYS SG A 23 CYS CB 1.0 . 3.0 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _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 37 CYS H A 15 GLN O 1.0 . 2.2 2 2 A 15 GLN O A 37 CYS N 1.0 . 3.2 3 3 A 15 GLN H A 37 CYS O 1.0 . 2.2 4 4 A 37 CYS O A 15 GLN N 1.0 . 3.2 5 5 A 17 GLN H A 35 ARG O 1.0 . 2.2 6 6 A 35 ARG O A 17 GLN N 1.0 . 3.2 7 7 A 35 ARG H A 17 GLN O 1.0 . 2.2 8 8 A 17 GLN O A 35 ARG N 1.0 . 3.2 9 9 A 26 LEU H A 36 CYS O 1.0 . 2.2 10 10 A 36 CYS O A 26 LEU N 1.0 . 3.2 11 11 A 36 CYS H A 27 ARG O 1.0 . 2.2 12 12 A 27 ARG O A 36 CYS N 1.0 . 3.2 13 13 A 38 MET H A 24 LEU O 1.0 . 2.2 14 14 A 24 LEU O A 38 MET N 1.0 . 3.2 15 15 A 24 LEU H A 38 MET O 1.0 . 2.2 16 16 A 38 MET O A 24 LEU N 1.0 . 3.2 17 17 A 34 SER H A 31 PRO O 1.0 . 2.2 18 18 A 31 PRO O A 34 SER N 1.0 . 3.2 19 19 A 13 ASN H A 10 GLU O 1.0 . 2.2 20 20 A 10 GLU O A 13 ASN N 1.0 . 3.2 21 21 A 12 VAL H A 8 PRO O 1.0 . 2.2 22 22 A 8 PRO O A 12 VAL N 1.0 . 3.2 23 23 A 11 ASP H A 7 PRO O 1.0 . 2.2 24 24 A 7 PRO O A 11 ASP N 1.0 . 3.2 stop_ save_