data_nef_c34130_5nvp 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 5NVP 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 17 LYS C 1 18 ACA N6 1 18 ACA C1 1 19 LYS 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 1 GLY start . false 2 A 2 ILE middle . . 3 A 3 GLY middle . false 4 A 4 ALA middle . . 5 A 5 LEU middle . . 6 A 6 PHE middle . . 7 A 7 LEU middle . . 8 A 8 GLY middle . false 9 A 9 PHE middle . . 10 A 10 LEU middle . . 11 A 11 GLY middle . false 12 A 12 ALA middle . . 13 A 13 ALA middle . . 14 A 14 GLY middle . false 15 A 15 SER middle . . 16 A 16 LYS middle . . 17 A 17 LYS middle -OXT . 18 A 18 ACA middle -HN62,-O2 . 19 A 19 LYS middle -H2 . 20 A 20 ASN middle . . 21 A 21 GLU middle . . 22 A 22 GLN middle . . 23 A 23 GLU middle . . 24 A 24 LEU middle . . 25 A 25 LEU middle . . 26 A 26 GLU middle . . 27 A 27 LEU middle . . 28 A 28 ASP middle . . 29 A 29 LYS middle . . 30 A 30 TRP middle . . 31 A 31 ALA middle . . 32 A 32 SER middle . . 33 A 33 LEU middle . . 34 A 34 TRP middle . . 35 A 35 ASN 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 1 GLY HAx H 1 4.097 0.003 A 1 GLY HAy H 1 4.097 0.003 A 2 ILE H H 1 9.532 0.002 A 2 ILE HA H 1 3.912 0.003 A 2 ILE HB H 1 1.899 0.002 A 2 ILE HD1% H 1 0.916 0.003 A 2 ILE HG1x H 1 1.305 0.003 A 2 ILE HG1y H 1 1.584 0.003 A 2 ILE HG2% H 1 0.948 0.003 A 2 ILE CA C 13 64.161 0.000 A 2 ILE CB C 13 38.354 0.000 A 2 ILE CD1 C 13 13.979 0.000 A 2 ILE CG2 C 13 18.309 0.000 A 3 GLY H H 1 9.263 0.002 A 3 GLY HAx H 1 3.686 0.004 A 3 GLY HAy H 1 3.860 0.008 A 4 ALA H H 1 8.279 0.001 A 4 ALA HA H 1 4.091 0.002 A 4 ALA HB% H 1 1.499 0.002 A 4 ALA CB C 13 18.627 0.000 A 5 LEU H H 1 7.876 0.003 A 5 LEU HA H 1 4.112 0.005 A 5 LEU HBx H 1 1.613 0.005 A 5 LEU HBy H 1 1.870 0.004 A 5 LEU HDx% H 1 0.905 0.005 A 5 LEU HDy% H 1 0.905 0.005 A 5 LEU HG H 1 1.696 0.002 A 5 LEU CA C 13 58.027 0.000 A 5 LEU CB C 13 42.355 0.014 A 6 PHE H H 1 8.384 0.003 A 6 PHE HA H 1 4.308 0.005 A 6 PHE HBx H 1 3.223 0.004 A 6 PHE HBy H 1 3.223 0.004 A 6 PHE HD1 H 1 7.175 0.002 A 6 PHE HD2 H 1 7.175 0.002 A 6 PHE HE1 H 1 7.139 0.001 A 6 PHE HE2 H 1 7.139 0.001 A 6 PHE HZ H 1 7.081 0.002 A 6 PHE CA C 13 61.294 0.000 A 6 PHE CB C 13 39.501 0.000 A 7 LEU H H 1 8.478 0.003 A 7 LEU HA H 1 3.953 0.004 A 7 LEU HBx H 1 1.555 0.002 A 7 LEU HBy H 1 1.873 0.007 A 7 LEU HDx% H 1 0.893 0.001 A 7 LEU HDy% H 1 0.929 0.007 A 7 LEU HG H 1 1.903 0.007 A 7 LEU CA C 13 58.318 0.000 A 7 LEU CB C 13 42.468 0.011 A 8 GLY H H 1 8.209 0.002 A 8 GLY HAx H 1 3.939 0.001 A 8 GLY HAy H 1 3.939 0.001 A 9 PHE H H 1 7.985 0.003 A 9 PHE HA H 1 4.409 0.003 A 9 PHE HBx H 1 3.211 0.006 A 9 PHE HBy H 1 3.211 0.006 A 9 PHE HD1 H 1 7.177 0.001 A 9 PHE HD2 H 1 7.177 0.001 A 9 PHE HE1 H 1 7.139 0.000 A 9 PHE HE2 H 1 7.139 0.000 A 9 PHE CB C 13 39.530 0.000 A 10 LEU H H 1 7.985 0.002 A 10 LEU HA H 1 3.880 0.005 A 10 LEU HBx H 1 1.474 0.006 A 10 LEU HBy H 1 1.694 0.004 A 10 LEU HDx% H 1 0.753 0.005 A 10 LEU HDy% H 1 0.777 0.005 A 10 LEU HG H 1 1.660 0.005 A 10 LEU CB C 13 42.284 0.010 A 10 LEU CD1 C 13 25.856 0.000 A 10 LEU CD2 C 13 23.724 0.000 A 11 GLY H H 1 8.065 0.000 A 11 GLY HAx H 1 3.865 0.001 A 11 GLY HAy H 1 3.902 0.001 A 12 ALA H H 1 7.872 0.001 A 12 ALA HA H 1 4.265 0.002 A 12 ALA HB% H 1 1.418 0.002 A 12 ALA CA C 13 53.665 0.000 A 12 ALA CB C 13 19.263 0.000 A 13 ALA H H 1 8.122 0.002 A 13 ALA HA H 1 4.132 0.002 A 13 ALA HB% H 1 1.298 0.001 A 13 ALA CA C 13 53.873 0.000 A 13 ALA CB C 13 19.012 0.000 A 14 GLY H H 1 8.248 0.003 A 14 GLY HAx H 1 3.867 0.000 A 14 GLY HAy H 1 3.905 0.003 A 15 SER H H 1 7.983 0.001 A 15 SER HA H 1 4.358 0.003 A 15 SER HBx H 1 3.860 0.002 A 15 SER HBy H 1 3.910 0.005 A 16 LYS H H 1 8.221 0.005 A 16 LYS HA H 1 4.285 0.003 A 16 LYS HBx H 1 1.788 0.002 A 16 LYS HBy H 1 1.877 0.003 A 16 LYS HDx H 1 1.666 0.004 A 16 LYS HDy H 1 1.666 0.004 A 16 LYS HEx H 1 2.958 0.000 A 16 LYS HEy H 1 2.958 0.000 A 16 LYS HGx H 1 1.462 0.000 A 16 LYS HGy H 1 1.462 0.000 A 16 LYS CA C 13 56.906 0.000 A 17 LYS H H 1 8.063 0.002 A 17 LYS HA H 1 4.213 0.005 A 17 LYS HBx H 1 1.716 0.007 A 17 LYS HBy H 1 1.787 0.002 A 17 LYS HDx H 1 1.668 0.000 A 17 LYS HDy H 1 1.668 0.000 A 17 LYS HGx H 1 1.415 0.005 A 17 LYS HGy H 1 1.415 0.005 A 17 LYS CA C 13 56.837 0.000 A 18 ACA H2x H 1 2.266 0.004 A 18 ACA H2y H 1 2.314 0.002 A 18 ACA H3x H 1 1.580 0.001 A 18 ACA H3y H 1 1.580 0.001 A 18 ACA H4x H 1 1.283 0.005 A 18 ACA H4y H 1 1.283 0.005 A 18 ACA H5x H 1 1.482 0.005 A 18 ACA H5y H 1 1.482 0.005 A 18 ACA H6x H 1 3.127 0.002 A 18 ACA H6y H 1 3.179 0.003 A 18 ACA HN61 H 1 7.863 0.003 A 18 ACA C2 C 13 38.237 0.007 A 18 ACA C3 C 13 27.853 0.000 A 18 ACA C4 C 13 28.699 0.000 A 18 ACA C5 C 13 31.157 0.000 A 18 ACA C6 C 13 42.216 0.016 A 19 LYS H H 1 8.371 0.002 A 19 LYS HA H 1 4.232 0.001 A 19 LYS HBx H 1 1.735 0.000 A 19 LYS HBy H 1 1.777 0.002 A 19 LYS HDx H 1 1.691 0.000 A 19 LYS HDy H 1 1.691 0.000 A 19 LYS HEx H 1 2.958 0.000 A 19 LYS HEy H 1 2.958 0.000 A 19 LYS HGx H 1 1.418 0.001 A 19 LYS HGy H 1 1.418 0.001 A 19 LYS CA C 13 57.193 0.000 A 20 ASN H H 1 8.327 0.002 A 20 ASN HA H 1 4.684 0.004 A 20 ASN HBx H 1 2.889 0.004 A 20 ASN HBy H 1 2.889 0.004 A 20 ASN HD2x H 1 6.922 0.001 A 20 ASN HD2y H 1 7.632 0.000 A 20 ASN CB C 13 39.198 0.000 A 21 GLU H H 1 8.659 0.001 A 21 GLU HA H 1 4.130 0.003 A 21 GLU HBx H 1 2.018 0.006 A 21 GLU HBy H 1 2.080 0.004 A 21 GLU HGx H 1 2.292 0.002 A 21 GLU HGy H 1 2.292 0.002 A 21 GLU CA C 13 58.603 0.000 A 22 GLN H H 1 8.318 0.002 A 22 GLN HA H 1 4.143 0.002 A 22 GLN HBx H 1 2.098 0.006 A 22 GLN HBy H 1 2.098 0.006 A 22 GLN HE2x H 1 6.854 0.002 A 22 GLN HE2y H 1 7.630 0.002 A 22 GLN HGx H 1 2.383 0.004 A 22 GLN HGy H 1 2.383 0.004 A 22 GLN CB C 13 28.922 0.000 A 23 GLU H H 1 8.305 0.004 A 23 GLU HA H 1 4.183 0.002 A 23 GLU HBx H 1 2.009 0.003 A 23 GLU HBy H 1 2.063 0.006 A 23 GLU HGx H 1 2.288 0.004 A 23 GLU HGy H 1 2.395 0.008 A 24 LEU H H 1 8.080 0.003 A 24 LEU HA H 1 4.203 0.002 A 24 LEU HBx H 1 1.603 0.003 A 24 LEU HBy H 1 1.794 0.007 A 24 LEU HDx% H 1 0.868 0.003 A 24 LEU HDy% H 1 0.912 0.004 A 24 LEU HG H 1 1.711 0.007 A 24 LEU CB C 13 42.319 0.000 A 24 LEU CG C 13 27.393 0.000 A 25 LEU H H 1 7.891 0.004 A 25 LEU HA H 1 4.322 0.005 A 25 LEU HBx H 1 1.607 0.003 A 25 LEU HBy H 1 1.766 0.003 A 25 LEU HDx% H 1 0.865 0.003 A 25 LEU HDy% H 1 0.895 0.001 A 25 LEU HG H 1 1.703 0.003 A 25 LEU CB C 13 42.564 0.006 A 26 GLU H H 1 7.983 0.003 A 26 GLU HA H 1 4.303 0.003 A 26 GLU HBx H 1 2.051 0.001 A 26 GLU HBy H 1 2.085 0.003 A 26 GLU HGx H 1 2.295 0.002 A 26 GLU HGy H 1 2.356 0.003 A 27 LEU H H 1 8.221 0.004 A 27 LEU HA H 1 4.096 0.003 A 27 LEU HBx H 1 1.670 0.005 A 27 LEU HBy H 1 1.787 0.001 A 27 LEU HDx% H 1 0.859 0.006 A 27 LEU HDy% H 1 0.928 0.003 A 27 LEU HG H 1 1.784 0.005 A 27 LEU CA C 13 58.027 0.000 A 27 LEU CB C 13 42.257 0.000 A 27 LEU CG C 13 27.420 0.000 A 28 ASP H H 1 8.503 0.002 A 28 ASP HA H 1 4.389 0.001 A 28 ASP HBx H 1 2.716 0.002 A 28 ASP HBy H 1 2.716 0.002 A 28 ASP CB C 13 40.438 0.000 A 29 LYS H H 1 7.827 0.001 A 29 LYS HA H 1 4.096 0.003 A 29 LYS HBx H 1 1.688 0.005 A 29 LYS HBy H 1 1.797 0.006 A 29 LYS HDx H 1 1.548 0.005 A 29 LYS HDy H 1 1.548 0.005 A 29 LYS HEx H 1 2.806 0.005 A 29 LYS HEy H 1 2.806 0.005 A 29 LYS HGx H 1 1.167 0.006 A 29 LYS HGy H 1 1.315 0.007 A 29 LYS CA C 13 58.603 0.000 A 29 LYS CE C 13 42.240 0.000 A 30 TRP H H 1 7.805 0.004 A 30 TRP HA H 1 4.480 0.003 A 30 TRP HBx H 1 3.243 0.006 A 30 TRP HBy H 1 3.427 0.004 A 30 TRP HD1 H 1 7.326 0.003 A 30 TRP HE1 H 1 10.603 0.002 A 30 TRP HE3 H 1 7.518 0.002 A 30 TRP HH2 H 1 7.071 0.001 A 30 TRP HZ2 H 1 7.442 0.002 A 30 TRP HZ3 H 1 6.947 0.002 A 31 ALA H H 1 8.214 0.003 A 31 ALA HA H 1 3.867 0.002 A 31 ALA HB% H 1 1.460 0.002 A 31 ALA CA C 13 55.220 0.000 A 31 ALA CB C 13 18.641 0.000 A 32 SER H H 1 7.938 0.002 A 32 SER HA H 1 4.267 0.003 A 32 SER HBx H 1 3.958 0.002 A 32 SER HBy H 1 3.958 0.002 A 32 SER CB C 13 63.276 0.000 A 33 LEU H H 1 7.743 0.002 A 33 LEU HA H 1 4.146 0.002 A 33 LEU HBx H 1 1.795 0.003 A 33 LEU HBy H 1 1.893 0.002 A 33 LEU HDx% H 1 0.881 0.006 A 33 LEU HDy% H 1 0.943 0.004 A 33 LEU HG H 1 1.549 0.004 A 33 LEU CA C 13 57.386 0.000 A 33 LEU CB C 13 42.532 0.000 A 34 TRP H H 1 7.719 0.002 A 34 TRP HA H 1 4.532 0.001 A 34 TRP HBx H 1 3.226 0.003 A 34 TRP HBy H 1 3.320 0.001 A 34 TRP HD1 H 1 7.178 0.001 A 34 TRP HE1 H 1 10.375 0.002 A 34 TRP HE3 H 1 7.506 0.005 A 34 TRP HH2 H 1 7.070 0.002 A 34 TRP HZ2 H 1 7.444 0.003 A 34 TRP HZ3 H 1 6.985 0.003 A 35 ASN H H 1 7.981 0.001 A 35 ASN HA H 1 4.533 0.002 A 35 ASN HBx H 1 2.711 0.005 A 35 ASN HBy H 1 2.787 0.003 A 35 ASN HD2x H 1 6.969 0.003 A 35 ASN HD2y H 1 7.553 0.003 A 35 ASN CB C 13 39.638 0.000 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 22 GLN H A 22 GLN HA 1.0 . 2.85 2 2 A 25 LEU H A 25 LEU HA 1.0 . 2.85 3 3 A 28 ASP H A 28 ASP HBx 1.0 . 3.48 4 3 A 28 ASP H A 28 ASP HBy 1.0 . 3.48 5 4 A 7 LEU H A 7 LEU HBy 1.0 . 4.04 6 5 A 6 PHE H A 6 PHE HBx 1.0 . 3.37 7 5 A 6 PHE H A 6 PHE HBy 1.0 . 3.37 8 6 A 19 LYS H A 19 LYS HDx 1.0 . 4.13 9 6 A 19 LYS H A 19 LYS HDy 1.0 . 4.13 10 7 A 20 ASN H A 20 ASN HBx 1.0 . 4.07 11 7 A 20 ASN H A 20 ASN HBy 1.0 . 4.07 12 8 A 22 GLN H A 20 ASN HBx 1.0 . 4.29 13 8 A 22 GLN H A 20 ASN HBy 1.0 . 4.29 14 9 A 22 GLN H A 22 GLN HGx 1.0 . 3.51 15 9 A 22 GLN H A 22 GLN HGy 1.0 . 3.51 16 10 A 23 GLU H A 23 GLU HA 1.0 . 2.88 17 11 A 23 GLU H A 23 GLU HBy 1.0 . 3.35 18 12 A 22 GLN H A 21 GLU HGx 1.0 . 3.45 19 12 A 22 GLN H A 21 GLU HGy 1.0 . 3.45 20 13 A 4 ALA H A 4 ALA HB% 1.0 . 3.32 21 14 A 24 LEU H A 24 LEU HBx 1.0 . 2.55 22 15 A 24 LEU H A 24 LEU HG 1.0 . 3.78 23 16 A 17 LYS H A 17 LYS HGx 1.0 . 4.10 24 16 A 17 LYS H A 17 LYS HGy 1.0 . 4.10 25 17 A 35 ASN H A 35 ASN HBx 1.0 . 4.01 26 18 A 32 SER H A 32 SER HBx 1.0 . 3.67 27 18 A 32 SER H A 32 SER HBy 1.0 . 3.67 28 19 A 25 LEU H A 25 LEU HG 1.0 . 4.51 29 20 A 5 LEU H A 5 LEU HBy 1.0 . 4.14 30 21 A 27 LEU HA A 27 LEU HG 1.0 . 4.13 31 22 A 30 TRP HA A 30 TRP HBy 1.0 . 2.70 32 23 A 33 LEU H A 33 LEU HBx 1.0 . 3.52 33 24 A 22 GLN HA A 22 GLN HGx 1.0 . 3.89 34 24 A 22 GLN HA A 22 GLN HGy 1.0 . 3.89 35 25 A 21 GLU HA A 21 GLU HGx 1.0 . 4.14 36 25 A 21 GLU HGy A 21 GLU HA 1.0 . 4.14 37 26 A 22 GLN HA A 21 GLU HGx 1.0 . 4.44 38 26 A 22 GLN HA A 21 GLU HGy 1.0 . 4.44 39 27 A 33 LEU HA A 33 LEU HG 1.0 . 3.74 40 28 A 34 TRP H A 34 TRP HBx 1.0 . 3.80 41 29 A 26 GLU H A 26 GLU HA 1.0 . 2.85 42 30 A 13 ALA H A 13 ALA HB% 1.0 . 3.36 43 31 A 31 ALA H A 31 ALA HB% 1.0 . 3.23 44 32 A 27 LEU H A 27 LEU HBx 1.0 . 3.96 45 33 A 9 PHE H A 9 PHE HBx 1.0 . 3.23 46 33 A 9 PHE H A 9 PHE HBy 1.0 . 3.23 47 34 A 12 ALA H A 12 ALA HB% 1.0 . 3.43 48 35 A 21 GLU H A 21 GLU HGx 1.0 . 4.10 49 35 A 21 GLU HGy A 21 GLU H 1.0 . 4.10 50 36 A 21 GLU H A 21 GLU HBx 1.0 . 3.95 51 37 A 21 GLU H A 21 GLU HBy 1.0 . 3.89 52 38 A 26 GLU HA A 26 GLU HGy 1.0 . 4.24 53 39 A 26 GLU HA A 26 GLU HGx 1.0 . 4.24 54 40 A 7 LEU HBx A 8 GLY H 1.0 . 4.60 55 41 A 16 LYS HA A 16 LYS HDx 1.0 . 4.25 56 41 A 16 LYS HA A 16 LYS HDy 1.0 . 4.25 57 42 A 27 LEU H A 27 LEU HBy 1.0 . 3.96 58 43 A 13 ALA H A 12 ALA H 1.0 . 3.83 59 44 A 31 ALA HA A 32 SER HA 1.0 . 5.50 60 45 A 6 PHE H A 5 LEU H 1.0 . 3.93 61 46 A 5 LEU H A 3 GLY H 1.0 . 5.50 62 47 A 4 ALA H A 3 GLY H 1.0 . 4.10 63 48 A 22 GLN H A 21 GLU H 1.0 . 3.76 64 49 A 7 LEU H A 6 PHE H 1.0 . 4.00 65 50 A 31 ALA H A 30 TRP H 1.0 . 3.79 66 51 A 28 ASP H A 29 LYS H 1.0 . 4.01 67 52 A 28 ASP H A 27 LEU H 1.0 . 4.09 68 53 A 4 ALA H A 5 LEU H 1.0 . 3.85 69 54 A 23 GLU H A 24 LEU H 1.0 . 3.95 70 55 A 25 LEU H A 26 GLU H 1.0 . 5.50 71 56 A 25 LEU H A 24 LEU H 1.0 . 3.58 72 57 A 13 ALA H A 14 GLY H 1.0 . 4.30 73 58 A 4 ALA H A 3 GLY HAy 1.0 . 3.00 74 59 A 17 LYS H A 16 LYS H 1.0 . 3.54 75 60 A 14 GLY H A 15 SER H 1.0 . 3.63 76 61 A 35 ASN H A 34 TRP H 1.0 . 3.85 77 62 A 7 LEU H A 9 PHE H 1.0 . 5.23 78 63 A 33 LEU H A 32 SER HBx 1.0 . 4.30 79 63 A 32 SER HBy A 33 LEU H 1.0 . 4.30 80 64 A 3 GLY H A 2 ILE H 1.0 . 4.43 81 65 A 10 LEU H A 10 LEU HDy% 1.0 . 3.40 82 66 A 24 LEU H A 24 LEU HDx% 1.0 . 5.27 83 67 A 27 LEU H A 27 LEU HDx% 1.0 . 4.91 84 68 A 6 PHE H A 5 LEU HDx% 1.0 . 5.13 85 68 A 6 PHE H A 5 LEU HDy% 1.0 . 5.13 86 69 A 27 LEU H A 27 LEU HDy% 1.0 . 4.91 87 70 A 31 ALA H A 30 TRP HE3 1.0 . 3.75 88 71 A 12 ALA H A 11 GLY H 1.0 . 3.51 89 72 A 7 LEU H A 8 GLY H 1.0 . 3.95 90 73 A 6 PHE HA A 6 PHE HD% 1.0 . 3.79 91 74 A 9 PHE HA A 9 PHE HD% 1.0 . 3.76 92 75 A 27 LEU HA A 30 TRP HD1 1.0 . 4.05 93 76 A 10 LEU H A 10 LEU HBy 1.0 . 3.56 94 77 A 2 ILE H A 2 ILE HG2% 1.0 . 4.29 95 78 A 9 PHE H A 8 GLY H 1.0 . 4.23 96 79 A 16 LYS H A 15 SER H 1.0 . 4.68 97 80 A 26 GLU H A 27 LEU H 1.0 . 4.69 98 81 A 5 LEU H A 2 ILE HA 1.0 . 4.47 99 82 A 14 GLY H A 14 GLY HAx 1.0 . 2.94 100 83 A 32 SER H A 33 LEU H 1.0 . 3.90 101 84 A 31 ALA H A 28 ASP HA 1.0 . 5.50 102 85 A 27 LEU H A 30 TRP HD1 1.0 . 5.47 103 86 A 31 ALA H A 30 TRP HD1 1.0 . 5.50 104 87 A 8 GLY H A 6 PHE HD% 1.0 . 5.50 105 88 A 8 GLY H A 9 PHE HD% 1.0 . 5.50 106 89 A 31 ALA H A 34 TRP HD1 1.0 . 5.50 107 90 A 30 TRP H A 30 TRP HE3 1.0 . 4.99 108 91 A 26 GLU H A 30 TRP HD1 1.0 . 5.50 109 92 A 12 ALA H A 9 PHE HD% 1.0 . 5.21 110 93 A 34 TRP H A 34 TRP HD1 1.0 . 4.98 111 94 A 7 LEU H A 6 PHE HBx 1.0 . 3.60 112 94 A 7 LEU H A 6 PHE HBy 1.0 . 3.60 113 95 A 30 TRP HBy A 31 ALA H 1.0 . 3.89 114 96 A 31 ALA H A 30 TRP HBx 1.0 . 4.55 115 97 A 32 SER H A 31 ALA H 1.0 . 4.14 116 98 A 7 LEU H A 3 GLY HAy 1.0 . 4.87 117 99 A 30 TRP H A 30 TRP HD1 1.0 . 4.02 118 100 A 9 PHE H A 9 PHE HD% 1.0 . 4.12 119 101 A 35 ASN H A 34 TRP HD1 1.0 . 4.67 120 102 A 15 SER H A 13 ALA HA 1.0 . 4.07 121 103 A 4 ALA HB% A 5 LEU H 1.0 . 4.03 122 104 A 32 SER H A 31 ALA HB% 1.0 . 4.45 123 105 A 20 ASN HD2x A 20 ASN HBx 1.0 . 4.08 124 105 A 20 ASN HBy A 20 ASN HD2x 1.0 . 4.08 125 106 A 21 GLU H A 20 ASN HBx 1.0 . 3.71 126 106 A 20 ASN HBy A 21 GLU H 1.0 . 3.71 127 107 A 27 LEU H A 28 ASP HBx 1.0 . 4.75 128 107 A 28 ASP HBy A 27 LEU H 1.0 . 4.75 129 108 A 29 LYS H A 28 ASP HBx 1.0 . 4.02 130 108 A 28 ASP HBy A 29 LYS H 1.0 . 4.02 131 109 A 29 LYS H A 29 LYS HDx 1.0 . 5.50 132 109 A 29 LYS H A 29 LYS HDy 1.0 . 5.50 133 110 A 13 ALA HB% A 10 LEU H 1.0 . 5.02 134 111 A 13 ALA HB% A 15 SER H 1.0 . 5.33 135 112 A 29 LYS H A 29 LYS HGx 1.0 . 4.57 136 113 A 29 LYS H A 29 LYS HGy 1.0 . 4.57 137 114 A 13 ALA H A 12 ALA HB% 1.0 . 3.69 138 115 A 6 PHE H A 5 LEU HBy 1.0 . 3.53 139 116 A 7 LEU HBy A 8 GLY H 1.0 . 4.54 140 117 A 10 LEU HDy% A 10 LEU HBx 1.0 . 3.27 141 118 A 13 ALA HB% A 10 LEU HDx% 1.0 . 4.53 142 119 A 10 LEU HDy% A 10 LEU HBy 1.0 . 3.29 143 120 A 24 LEU HDy% A 21 GLU HGx 1.0 . 3.97 144 120 A 21 GLU HGy A 24 LEU HDy% 1.0 . 3.97 145 121 A 21 GLU HBx A 24 LEU HDy% 1.0 . 3.77 146 122 A 2 ILE HB A 2 ILE HD1% 1.0 . 2.79 147 123 A 33 LEU HBy A 33 LEU HDy% 1.0 . 2.81 148 124 A 13 ALA HB% A 10 LEU HBy 1.0 . 3.26 149 125 A 17 LYS HDy A 17 LYS HGx 1.0 . 2.85 150 125 A 17 LYS HDx A 17 LYS HGx 1.0 . 2.85 151 125 A 17 LYS HGy A 17 LYS HDx 1.0 . 2.85 152 125 A 17 LYS HGy A 17 LYS HDy 1.0 . 2.85 153 126 A 33 LEU HBx A 33 LEU HG 1.0 . 2.77 154 127 A 24 LEU HBx A 21 GLU HBx 1.0 . 4.72 155 128 A 33 LEU HBx A 33 LEU HDx% 1.0 . 4.18 156 129 A 24 LEU HDx% A 24 LEU HBy 1.0 . 3.26 157 130 A 10 LEU HBx A 10 LEU HDx% 1.0 . 3.60 158 131 A 19 LYS HEy A 19 LYS HGx 1.0 . 3.25 159 131 A 19 LYS HEx A 19 LYS HGx 1.0 . 3.25 160 131 A 19 LYS HGy A 19 LYS HEx 1.0 . 3.25 161 131 A 19 LYS HGy A 19 LYS HEy 1.0 . 3.25 162 132 A 31 ALA HB% A 28 ASP HBx 1.0 . 4.28 163 132 A 28 ASP HBy A 31 ALA HB% 1.0 . 4.28 164 133 A 16 LYS HDx A 16 LYS HEx 1.0 . 3.05 165 133 A 16 LYS HDy A 16 LYS HEx 1.0 . 3.05 166 133 A 16 LYS HEy A 16 LYS HDx 1.0 . 3.05 167 133 A 16 LYS HDy A 16 LYS HEy 1.0 . 3.05 168 134 A 13 ALA HB% A 10 LEU HA 1.0 . 3.57 169 135 A 2 ILE HG2% A 2 ILE HA 1.0 . 3.62 170 136 A 7 LEU HA A 7 LEU HDx% 1.0 . 4.12 171 137 A 10 LEU HDx% A 10 LEU HA 1.0 . 3.96 172 138 A 10 LEU HDy% A 7 LEU HA 1.0 . 4.30 173 139 A 24 LEU HDy% A 24 LEU HA 1.0 . 3.66 174 140 A 24 LEU HDx% A 24 LEU HA 1.0 . 3.34 175 141 A 33 LEU HA A 33 LEU HDy% 1.0 . 3.71 176 142 A 5 LEU HA A 5 LEU HDx% 1.0 . 3.42 177 142 A 5 LEU HDy% A 5 LEU HA 1.0 . 3.42 178 143 A 27 LEU HA A 27 LEU HDy% 1.0 . 3.82 179 144 A 27 LEU HA A 27 LEU HDx% 1.0 . 3.82 180 145 A 25 LEU HA A 25 LEU HDy% 1.0 . 4.09 181 146 A 25 LEU HA A 25 LEU HDx% 1.0 . 4.09 182 147 A 33 LEU H A 33 LEU HDy% 1.0 . 4.38 183 148 A 33 LEU H A 33 LEU HDx% 1.0 . 4.23 184 149 A 5 LEU H A 5 LEU HDx% 1.0 . 4.12 185 149 A 5 LEU H A 5 LEU HDy% 1.0 . 4.12 186 150 A 10 LEU H A 10 LEU HDx% 1.0 . 3.75 187 151 A 33 LEU H A 33 LEU HBy 1.0 . 3.67 188 152 A 33 LEU H A 33 LEU HG 1.0 . 4.21 189 153 A 10 LEU H A 10 LEU HG 1.0 . 5.50 190 154 A 26 GLU H A 25 LEU HBy 1.0 . 5.50 191 155 A 13 ALA HB% A 14 GLY H 1.0 . 4.03 192 156 A 19 LYS H A 19 LYS HGx 1.0 . 4.20 193 156 A 19 LYS H A 19 LYS HGy 1.0 . 4.20 194 157 A 6 PHE H A 4 ALA HB% 1.0 . 5.50 195 158 A 7 LEU H A 7 LEU HG 1.0 . 5.50 196 159 A 23 GLU H A 22 GLN HGx 1.0 . 4.09 197 159 A 22 GLN HGy A 23 GLU H 1.0 . 4.09 198 160 A 22 GLN H A 22 GLN HBx 1.0 . 3.24 199 160 A 22 GLN H A 22 GLN HBy 1.0 . 3.24 200 161 A 23 GLU H A 23 GLU HBx 1.0 . 3.35 201 162 A 27 LEU H A 26 GLU HBy 1.0 . 3.72 202 163 A 27 LEU H A 26 GLU HBx 1.0 . 3.72 203 164 A 26 GLU H A 26 GLU HGy 1.0 . 4.57 204 165 A 26 GLU H A 26 GLU HGx 1.0 . 4.57 205 166 A 35 ASN H A 35 ASN HBy 1.0 . 4.01 206 167 A 20 ASN HD2y A 20 ASN HBx 1.0 . 4.08 207 167 A 20 ASN HBy A 20 ASN HD2y 1.0 . 4.08 208 168 A 4 ALA HB% A 5 LEU HDx% 1.0 . 3.83 209 168 A 4 ALA HB% A 5 LEU HDy% 1.0 . 3.83 210 169 A 7 LEU HBy A 7 LEU HG 1.0 . 2.81 211 170 A 22 GLN HBy A 22 GLN HGx 1.0 . 3.01 212 170 A 22 GLN HBx A 22 GLN HGx 1.0 . 3.01 213 170 A 22 GLN HGy A 22 GLN HBx 1.0 . 3.01 214 170 A 22 GLN HGy A 22 GLN HBy 1.0 . 3.01 215 171 A 24 LEU HBx A 21 GLU HGx 1.0 . 2.74 216 171 A 21 GLU HGy A 24 LEU HBx 1.0 . 2.74 217 172 A 24 LEU HG A 21 GLU HGx 1.0 . 2.70 218 172 A 21 GLU HGy A 24 LEU HG 1.0 . 2.70 219 173 A 21 GLU HBx A 21 GLU HGx 1.0 . 3.05 220 173 A 21 GLU HGy A 21 GLU HBx 1.0 . 3.05 221 174 A 30 TRP H A 30 TRP HBx 1.0 . 3.90 222 175 A 30 TRP HBy A 30 TRP H 1.0 . 2.75 223 176 A 34 TRP H A 34 TRP HBy 1.0 . 3.80 224 177 A 30 TRP HE3 A 30 TRP HBx 1.0 . 3.93 225 178 A 10 LEU HG A 9 PHE HBx 1.0 . 3.99 226 178 A 9 PHE HBy A 10 LEU HG 1.0 . 3.99 227 179 A 12 ALA HB% A 9 PHE HBx 1.0 . 4.77 228 179 A 9 PHE HBy A 12 ALA HB% 1.0 . 4.77 229 180 A 2 ILE HA A 5 LEU HBx 1.0 . 3.94 230 181 A 10 LEU HBx A 7 LEU HA 1.0 . 4.06 231 182 A 5 LEU HA A 5 LEU HBx 1.0 . 2.87 232 183 A 12 ALA HB% A 13 ALA HA 1.0 . 5.36 233 184 A 12 ALA HB% A 9 PHE HA 1.0 . 4.11 234 185 A 31 ALA HB% A 28 ASP HA 1.0 . 3.83 235 186 A 25 LEU HA A 25 LEU HG 1.0 . 3.55 236 187 A 20 ASN H A 19 LYS HGx 1.0 . 4.45 237 187 A 20 ASN H A 19 LYS HGy 1.0 . 4.45 238 188 A 20 ASN H A 19 LYS HBy 1.0 . 3.46 239 189 A 9 PHE H A 7 LEU HBx 1.0 . 4.95 240 190 A 12 ALA H A 9 PHE HA 1.0 . 5.48 241 191 A 21 GLU H A 20 ASN HA 1.0 . 3.64 242 192 A 34 TRP H A 34 TRP HE3 1.0 . 4.59 243 193 A 3 GLY H A 2 ILE HG2% 1.0 . 4.12 244 194 A 30 TRP HE3 A 33 LEU HDx% 1.0 . 4.16 245 195 A 30 TRP HE3 A 33 LEU HDy% 1.0 . 4.38 246 196 A 30 TRP HZ2 A 27 LEU HDx% 1.0 . 5.29 247 197 A 4 ALA H A 5 LEU HBy 1.0 . 5.50 248 198 A 4 ALA H A 7 LEU HBx 1.0 . 5.50 249 199 A 13 ALA H A 10 LEU HA 1.0 . 5.50 250 200 A 34 TRP HE3 A 34 TRP HA 1.0 . 3.94 251 201 A 30 TRP HA A 30 TRP HE3 1.0 . 3.82 252 202 A 34 TRP HD1 A 34 TRP HA 1.0 . 4.79 253 203 A 30 TRP HA A 30 TRP HD1 1.0 . 4.89 254 204 A 6 PHE HD% A 7 LEU HA 1.0 . 3.35 255 205 A 5 LEU HBy A 9 PHE HD% 1.0 . 5.15 256 206 A 7 LEU HBx A 6 PHE HD% 1.0 . 5.50 257 207 A 27 LEU HG A 30 TRP HD1 1.0 . 5.50 258 208 A 31 ALA HB% A 34 TRP HD1 1.0 . 4.71 259 209 A 13 ALA HB% A 9 PHE HD% 1.0 . 4.51 260 210 A 30 TRP HD1 A 27 LEU HDy% 1.0 . 5.17 261 211 A 33 LEU HDx% A 30 TRP HZ3 1.0 . 4.86 262 212 A 6 PHE HD% A 7 LEU HDx% 1.0 . 3.84 263 213 A 9 PHE HE% A 5 LEU HDx% 1.0 . 4.57 264 213 A 5 LEU HDy% A 9 PHE HE% 1.0 . 4.57 265 214 A 6 PHE HE% A 7 LEU HDx% 1.0 . 4.75 266 215 A 33 LEU HDy% A 30 TRP HZ3 1.0 . 3.85 267 216 A 30 TRP HD1 A 27 LEU HDx% 1.0 . 5.17 268 217 A 10 LEU HDy% A 6 PHE HD% 1.0 . 4.53 269 218 A 10 LEU HDy% A 9 PHE HD% 1.0 . 5.03 270 219 A 10 LEU HDy% A 6 PHE HZ 1.0 . 4.70 271 220 A 10 LEU HDy% A 6 PHE HE% 1.0 . 4.10 272 221 A 32 SER H A 30 TRP HA 1.0 . 4.95 273 222 A 3 GLY H A 1 GLY HAx 1.0 . 5.00 274 222 A 3 GLY H A 1 GLY HAy 1.0 . 5.00 275 223 A 33 LEU H A 31 ALA HA 1.0 . 5.17 276 224 A 26 GLU HA A 30 TRP HD1 1.0 . 5.18 277 225 A 34 TRP HA A 34 TRP HZ3 1.0 . 5.50 278 226 A 35 ASN HA A 35 ASN HD2x 1.0 . 5.50 279 227 A 20 ASN HD2x A 20 ASN HA 1.0 . 5.50 280 228 A 35 ASN HA A 35 ASN HD2y 1.0 . 5.50 281 229 A 20 ASN HD2y A 20 ASN HA 1.0 . 5.50 282 230 A 9 PHE HD% A 5 LEU HA 1.0 . 5.06 283 231 A 27 LEU H A 26 GLU HGx 1.0 . 5.50 284 232 A 24 LEU H A 21 GLU HGx 1.0 . 4.17 285 232 A 21 GLU HGy A 24 LEU H 1.0 . 4.17 286 233 A 31 ALA HB% A 35 ASN HD2y 1.0 . 5.48 287 234 A 31 ALA HB% A 30 TRP HE3 1.0 . 5.01 288 235 A 31 ALA HB% A 30 TRP HZ2 1.0 . 5.50 289 236 A 33 LEU HG A 30 TRP HE3 1.0 . 5.50 290 237 A 33 LEU HG A 34 TRP HE3 1.0 . 5.50 291 238 A 30 TRP HE3 A 33 LEU HBy 1.0 . 4.63 292 239 A 33 LEU HBx A 30 TRP HE3 1.0 . 5.48 293 240 A 6 PHE HD% A 10 LEU HG 1.0 . 4.25 294 241 A 33 LEU H A 31 ALA HB% 1.0 . 4.94 295 242 A 12 ALA HB% A 9 PHE HD% 1.0 . 5.02 296 243 A 20 ASN H A 19 LYS HBx 1.0 . 3.46 297 244 A 20 ASN HA A 22 GLN HGx 1.0 . 5.50 298 244 A 22 GLN HGy A 20 ASN HA 1.0 . 5.50 299 245 A 20 ASN HA A 21 GLU HGx 1.0 . 5.50 300 245 A 21 GLU HGy A 20 ASN HA 1.0 . 5.50 301 246 A 21 GLU HBx A 20 ASN HA 1.0 . 5.50 302 247 A 21 GLU HBy A 20 ASN HA 1.0 . 4.85 303 248 A 30 TRP HA A 33 LEU HBy 1.0 . 5.30 304 249 A 30 TRP HA A 33 LEU HBx 1.0 . 5.50 305 250 A 34 TRP H A 31 ALA HA 1.0 . 5.25 306 251 A 30 TRP HE1 A 27 LEU HDx% 1.0 . 4.33 307 252 A 27 LEU HG A 30 TRP HE1 1.0 . 5.26 308 253 A 31 ALA HB% A 34 TRP HE1 1.0 . 5.50 309 254 A 31 ALA HA A 30 TRP HE3 1.0 . 4.95 310 255 A 30 TRP H A 30 TRP HE1 1.0 . 5.12 311 256 A 27 LEU HA A 30 TRP HE1 1.0 . 5.29 312 257 A 30 TRP HE1 A 27 LEU HDy% 1.0 . 4.33 313 258 A 29 LYS HEy A 29 LYS HGx 1.0 . 3.98 314 258 A 29 LYS HGx A 29 LYS HEx 1.0 . 3.98 315 259 A 29 LYS HEx A 29 LYS HGy 1.0 . 3.98 316 259 A 29 LYS HEy A 29 LYS HGy 1.0 . 3.98 317 260 A 27 LEU HA A 30 TRP HBx 1.0 . 5.50 318 261 A 28 ASP H A 27 LEU HDx% 1.0 . 5.05 319 262 A 28 ASP H A 27 LEU HDy% 1.0 . 5.05 320 263 A 3 GLY H A 2 ILE HB 1.0 . 4.43 321 264 A 31 ALA HB% A 35 ASN HD2x 1.0 . 5.48 322 265 A 30 TRP HA A 33 LEU H 1.0 . 4.35 323 266 A 5 LEU H A 6 PHE HBx 1.0 . 5.50 324 266 A 6 PHE HBy A 5 LEU H 1.0 . 5.50 325 267 A 12 ALA H A 9 PHE HBx 1.0 . 5.50 326 267 A 9 PHE HBy A 12 ALA H 1.0 . 5.50 327 268 A 30 TRP HD1 A 29 LYS HDx 1.0 . 5.50 328 268 A 30 TRP HD1 A 29 LYS HDy 1.0 . 5.50 329 269 A 2 ILE H A 2 ILE HG1x 1.0 . 4.96 330 270 A 2 ILE H A 2 ILE HG1y 1.0 . 4.96 331 271 A 27 LEU H A 26 GLU HGy 1.0 . 5.50 332 272 A 24 LEU H A 22 GLN HGx 1.0 . 5.13 333 272 A 22 GLN HGy A 24 LEU H 1.0 . 5.13 334 273 A 19 LYS H A 23 GLU HBx 1.0 . 4.64 335 274 A 19 LYS H A 23 GLU HBy 1.0 . 4.64 336 275 A 25 LEU H A 21 GLU HGx 1.0 . 5.33 337 275 A 25 LEU H A 21 GLU HGy 1.0 . 5.33 338 276 A 7 LEU H A 5 LEU H 1.0 . 4.67 339 277 A 31 ALA HA A 33 LEU HBy 1.0 . 5.50 340 278 A 33 LEU HA A 33 LEU HDx% 1.0 . 5.31 341 279 A 23 GLU HA A 23 GLU HGy 1.0 . 3.70 342 280 A 23 GLU HA A 23 GLU HGx 1.0 . 3.70 343 281 A 33 LEU HBx A 34 TRP H 1.0 . 5.50 344 282 A 33 LEU HG A 34 TRP H 1.0 . 5.50 345 283 A 34 TRP H A 33 LEU HBy 1.0 . 5.50 346 284 A 30 TRP HA A 33 LEU HDx% 1.0 . 5.38 347 285 A 6 PHE HD% A 10 LEU HDx% 1.0 . 3.96 348 286 A 10 LEU HDx% A 6 PHE HE% 1.0 . 5.47 349 287 A 10 LEU HDx% A 6 PHE HZ 1.0 . 4.91 350 288 A 16 LYS H A 15 SER HA 1.0 . 3.59 351 289 A 31 ALA HB% A 30 TRP H 1.0 . 5.50 352 290 A 30 TRP H A 29 LYS HBx 1.0 . 5.50 353 291 A 30 TRP H A 29 LYS HBy 1.0 . 5.50 354 292 A 6 PHE H A 5 LEU HBx 1.0 . 4.47 355 293 A 28 ASP H A 26 GLU HA 1.0 . 4.90 356 294 A 7 LEU H A 4 ALA HA 1.0 . 4.23 357 295 A 5 LEU H A 5 LEU HBx 1.0 . 2.40 358 296 A 33 LEU HDy% A 30 TRP HH2 1.0 . 4.64 359 297 A 30 TRP HZ2 A 27 LEU HDy% 1.0 . 5.29 360 298 A 7 LEU HA A 7 LEU HDy% 1.0 . 4.12 361 299 A 7 LEU H A 7 LEU HBx 1.0 . 2.94 362 300 A 6 PHE HD% A 7 LEU HG 1.0 . 5.10 363 301 A 5 LEU H A 5 LEU HG 1.0 . 5.50 364 302 A 7 LEU HA A 10 LEU HG 1.0 . 3.72 365 303 A 5 LEU HBx A 5 LEU HDx% 1.0 . 2.48 366 303 A 5 LEU HDy% A 5 LEU HBx 1.0 . 2.48 367 304 A 5 LEU HBy A 5 LEU HDx% 1.0 . 2.86 368 304 A 5 LEU HBy A 5 LEU HDy% 1.0 . 2.86 369 305 A 10 LEU HBy A 10 LEU HDx% 1.0 . 3.59 370 306 A 16 LYS HA A 16 LYS HGx 1.0 . 4.10 371 306 A 16 LYS HA A 16 LYS HGy 1.0 . 4.10 372 307 A 26 GLU H A 25 LEU HBx 1.0 . 5.50 373 308 A 12 ALA HB% A 10 LEU H 1.0 . 5.50 374 309 A 12 ALA HB% A 15 SER H 1.0 . 5.50 375 310 A 21 GLU HBx A 24 LEU HDx% 1.0 . 5.24 376 311 A 21 GLU HBy A 24 LEU HDx% 1.0 . 4.84 377 312 A 17 LYS HA A 17 LYS HDx 1.0 . 4.32 378 312 A 17 LYS HDy A 17 LYS HA 1.0 . 4.32 379 313 A 24 LEU H A 24 LEU HDy% 1.0 . 2.58 380 314 A 6 PHE HD% A 7 LEU HDy% 1.0 . 3.84 381 315 A 6 PHE HE% A 7 LEU HDy% 1.0 . 4.75 382 316 A 10 LEU HDy% A 10 LEU HA 1.0 . 2.43 383 317 A 2 ILE HA A 2 ILE HD1% 1.0 . 3.98 384 318 A 2 ILE HA A 5 LEU HDx% 1.0 . 4.51 385 318 A 5 LEU HDy% A 2 ILE HA 1.0 . 4.51 386 319 A 10 LEU HBy A 7 LEU HA 1.0 . 5.50 387 320 A 14 GLY H A 14 GLY HAy 1.0 . 2.94 388 321 A 6 PHE H A 3 GLY HAy 1.0 . 4.96 389 322 A 10 LEU H A 10 LEU HA 1.0 . 2.85 390 323 A 6 PHE H A 3 GLY HAx 1.0 . 4.09 391 324 A 6 PHE H A 6 PHE HD% 1.0 . 4.81 392 325 A 7 LEU H A 6 PHE HD% 1.0 . 5.28 393 326 A 31 ALA HA A 34 TRP HD1 1.0 . 3.63 394 327 A 24 LEU HG A 21 GLU HBx 1.0 . 3.96 395 328 A 23 GLU H A 24 LEU HDy% 1.0 . 5.50 396 329 A 2 ILE H A 2 ILE HG1x 1.0 . 4.34 397 329 A 2 ILE H A 2 ILE HG1y 1.0 . 4.34 398 330 A 2 ILE HA A 2 ILE HG1x 1.0 . 3.28 399 330 A 2 ILE HA A 2 ILE HG1y 1.0 . 3.28 400 331 A 6 PHE HD% A 7 LEU HDy% 1.0 . 3.18 401 331 A 6 PHE HD% A 7 LEU HDx% 1.0 . 3.18 402 332 A 6 PHE HE% A 7 LEU HDy% 1.0 . 4.03 403 332 A 6 PHE HE% A 7 LEU HDx% 1.0 . 4.03 404 333 A 7 LEU H A 7 LEU HDy% 1.0 . 2.52 405 333 A 7 LEU H A 7 LEU HDx% 1.0 . 2.52 406 334 A 7 LEU HA A 7 LEU HDy% 1.0 . 3.25 407 334 A 7 LEU HA A 7 LEU HDx% 1.0 . 3.25 408 335 A 10 LEU HBx A 7 LEU HDy% 1.0 . 5.44 409 335 A 10 LEU HBx A 7 LEU HDx% 1.0 . 5.44 410 336 A 11 GLY H A 11 GLY HAx 1.0 . 2.53 411 336 A 11 GLY H A 11 GLY HAy 1.0 . 2.53 412 337 A 12 ALA HA A 11 GLY HAx 1.0 . 5.03 413 337 A 11 GLY HAy A 12 ALA HA 1.0 . 5.03 414 338 A 14 GLY H A 14 GLY HAy 1.0 . 2.36 415 338 A 14 GLY H A 14 GLY HAx 1.0 . 2.36 416 339 A 15 SER H A 15 SER HBx 1.0 . 3.39 417 339 A 15 SER H A 15 SER HBy 1.0 . 3.39 418 340 A 16 LYS H A 16 LYS HBx 1.0 . 3.44 419 340 A 16 LYS H A 16 LYS HBy 1.0 . 3.44 420 341 A 16 LYS HBy A 16 LYS HDx 1.0 . 3.49 421 341 A 16 LYS HBx A 16 LYS HDx 1.0 . 3.49 422 341 A 16 LYS HDy A 16 LYS HBx 1.0 . 3.49 423 341 A 16 LYS HDy A 16 LYS HBy 1.0 . 3.49 424 342 A 16 LYS HBx A 16 LYS HEx 1.0 . 4.17 425 342 A 16 LYS HBy A 16 LYS HEx 1.0 . 4.17 426 342 A 16 LYS HEy A 16 LYS HBx 1.0 . 4.17 427 342 A 16 LYS HEy A 16 LYS HBy 1.0 . 4.17 428 343 A 17 LYS H A 16 LYS HBx 1.0 . 5.09 429 343 A 17 LYS H A 16 LYS HBy 1.0 . 5.09 430 344 A 17 LYS HA A 17 LYS HBx 1.0 . 2.60 431 344 A 17 LYS HA A 17 LYS HBy 1.0 . 2.60 432 345 A 19 LYS H A 19 LYS HBy 1.0 . 3.30 433 345 A 19 LYS H A 19 LYS HBx 1.0 . 3.30 434 346 A 19 LYS H A 23 GLU HBy 1.0 . 3.92 435 346 A 19 LYS H A 23 GLU HBx 1.0 . 3.92 436 347 A 19 LYS HBx A 19 LYS HEx 1.0 . 4.71 437 347 A 19 LYS HBy A 19 LYS HEx 1.0 . 4.71 438 347 A 19 LYS HEy A 19 LYS HBy 1.0 . 4.71 439 347 A 19 LYS HEy A 19 LYS HBx 1.0 . 4.71 440 348 A 20 ASN H A 19 LYS HBy 1.0 . 2.61 441 348 A 20 ASN H A 19 LYS HBx 1.0 . 2.61 442 349 A 20 ASN HD2x A 20 ASN HA 1.0 . 4.69 443 349 A 20 ASN HD2y A 20 ASN HA 1.0 . 4.69 444 350 A 20 ASN HD2x A 20 ASN HBx 1.0 . 3.43 445 350 A 20 ASN HBy A 20 ASN HD2y 1.0 . 3.43 446 350 A 20 ASN HD2y A 20 ASN HBx 1.0 . 3.43 447 350 A 20 ASN HBy A 20 ASN HD2x 1.0 . 3.43 448 351 A 20 ASN HD2y A 21 GLU HGx 1.0 . 5.34 449 351 A 21 GLU HGy A 20 ASN HD2y 1.0 . 5.34 450 351 A 20 ASN HD2x A 21 GLU HGx 1.0 . 5.34 451 351 A 21 GLU HGy A 20 ASN HD2x 1.0 . 5.34 452 352 A 22 GLN H A 20 ASN HD2y 1.0 . 4.30 453 352 A 22 GLN H A 20 ASN HD2x 1.0 . 4.30 454 353 A 20 ASN HD2y A 22 GLN HBx 1.0 . 5.34 455 353 A 20 ASN HD2x A 22 GLN HBy 1.0 . 5.34 456 353 A 22 GLN HBy A 20 ASN HD2y 1.0 . 5.34 457 353 A 20 ASN HD2x A 22 GLN HBx 1.0 . 5.34 458 354 A 20 ASN HD2y A 22 GLN HGx 1.0 . 4.40 459 354 A 22 GLN HGy A 20 ASN HD2x 1.0 . 4.40 460 354 A 22 GLN HGy A 20 ASN HD2y 1.0 . 4.40 461 354 A 20 ASN HD2x A 22 GLN HGx 1.0 . 4.40 462 355 A 23 GLU H A 23 GLU HBy 1.0 . 2.93 463 355 A 23 GLU H A 23 GLU HBx 1.0 . 2.93 464 356 A 23 GLU HA A 23 GLU HGy 1.0 . 3.01 465 356 A 23 GLU HA A 23 GLU HGx 1.0 . 3.01 466 357 A 23 GLU HBy A 23 GLU HGy 1.0 . 2.40 467 357 A 23 GLU HBx A 23 GLU HGy 1.0 . 2.40 468 357 A 23 GLU HGx A 23 GLU HBy 1.0 . 2.40 469 357 A 23 GLU HBx A 23 GLU HGx 1.0 . 2.40 470 358 A 24 LEU H A 23 GLU HBy 1.0 . 4.10 471 358 A 24 LEU H A 23 GLU HBx 1.0 . 4.10 472 359 A 24 LEU H A 23 GLU HGy 1.0 . 5.25 473 359 A 24 LEU H A 23 GLU HGx 1.0 . 5.25 474 360 A 25 LEU H A 25 LEU HDy% 1.0 . 4.28 475 360 A 25 LEU H A 25 LEU HDx% 1.0 . 4.28 476 361 A 25 LEU H A 27 LEU HBx 1.0 . 5.34 477 361 A 25 LEU H A 27 LEU HBy 1.0 . 5.34 478 362 A 25 LEU HA A 25 LEU HDy% 1.0 . 3.27 479 362 A 25 LEU HA A 25 LEU HDx% 1.0 . 3.27 480 363 A 26 GLU H A 25 LEU HDy% 1.0 . 4.93 481 363 A 26 GLU H A 25 LEU HDx% 1.0 . 4.93 482 364 A 26 GLU H A 26 GLU HBy 1.0 . 2.87 483 364 A 26 GLU H A 26 GLU HBx 1.0 . 2.87 484 365 A 26 GLU H A 26 GLU HGy 1.0 . 3.77 485 365 A 26 GLU H A 26 GLU HGx 1.0 . 3.77 486 366 A 26 GLU HA A 26 GLU HGy 1.0 . 3.63 487 366 A 26 GLU HA A 26 GLU HGx 1.0 . 3.63 488 367 A 27 LEU H A 26 GLU HBy 1.0 . 3.23 489 367 A 27 LEU H A 26 GLU HBx 1.0 . 3.23 490 368 A 29 LYS H A 26 GLU HBy 1.0 . 5.13 491 368 A 29 LYS H A 26 GLU HBx 1.0 . 5.13 492 369 A 27 LEU H A 26 GLU HGy 1.0 . 4.77 493 369 A 27 LEU H A 26 GLU HGx 1.0 . 4.77 494 370 A 27 LEU H A 27 LEU HBx 1.0 . 3.36 495 370 A 27 LEU H A 27 LEU HBy 1.0 . 3.36 496 371 A 27 LEU H A 27 LEU HDy% 1.0 . 3.99 497 371 A 27 LEU H A 27 LEU HDx% 1.0 . 3.99 498 372 A 27 LEU HA A 27 LEU HDy% 1.0 . 3.22 499 372 A 27 LEU HA A 27 LEU HDx% 1.0 . 3.22 500 373 A 28 ASP H A 27 LEU HBx 1.0 . 3.46 501 373 A 28 ASP H A 27 LEU HBy 1.0 . 3.46 502 374 A 30 TRP HD1 A 27 LEU HBx 1.0 . 4.46 503 374 A 30 TRP HD1 A 27 LEU HBy 1.0 . 4.46 504 375 A 28 ASP H A 27 LEU HDy% 1.0 . 3.70 505 375 A 28 ASP H A 27 LEU HDx% 1.0 . 3.70 506 376 A 30 TRP HD1 A 27 LEU HDy% 1.0 . 4.49 507 376 A 30 TRP HD1 A 27 LEU HDx% 1.0 . 4.49 508 377 A 30 TRP HE1 A 27 LEU HDy% 1.0 . 3.52 509 377 A 30 TRP HE1 A 27 LEU HDx% 1.0 . 3.52 510 378 A 30 TRP HZ2 A 27 LEU HDy% 1.0 . 4.29 511 378 A 30 TRP HZ2 A 27 LEU HDx% 1.0 . 4.29 512 379 A 31 ALA H A 27 LEU HDy% 1.0 . 5.07 513 379 A 31 ALA H A 27 LEU HDx% 1.0 . 5.07 514 380 A 29 LYS H A 29 LYS HBy 1.0 . 3.48 515 380 A 29 LYS H A 29 LYS HBx 1.0 . 3.48 516 381 A 29 LYS H A 29 LYS HGy 1.0 . 3.95 517 381 A 29 LYS H A 29 LYS HGx 1.0 . 3.95 518 382 A 30 TRP H A 29 LYS HBy 1.0 . 4.82 519 382 A 30 TRP H A 29 LYS HBx 1.0 . 4.82 520 383 A 30 TRP HA A 29 LYS HBy 1.0 . 4.98 521 383 A 30 TRP HA A 29 LYS HBx 1.0 . 4.98 522 384 A 30 TRP HD1 A 29 LYS HBy 1.0 . 5.34 523 384 A 30 TRP HD1 A 29 LYS HBx 1.0 . 5.34 524 385 A 29 LYS HBx A 32 SER HBx 1.0 . 5.34 525 385 A 29 LYS HBy A 32 SER HBx 1.0 . 5.34 526 385 A 32 SER HBy A 29 LYS HBy 1.0 . 5.34 527 385 A 32 SER HBy A 29 LYS HBx 1.0 . 5.34 528 386 A 29 LYS HEx A 29 LYS HGy 1.0 . 3.44 529 386 A 29 LYS HEy A 29 LYS HGy 1.0 . 3.44 530 386 A 29 LYS HGx A 29 LYS HEx 1.0 . 3.44 531 386 A 29 LYS HEy A 29 LYS HGx 1.0 . 3.44 532 387 A 31 ALA HB% A 34 TRP HBy 1.0 . 5.04 533 387 A 31 ALA HB% A 34 TRP HBx 1.0 . 5.04 534 388 A 31 ALA HB% A 35 ASN HD2x 1.0 . 4.76 535 388 A 31 ALA HB% A 35 ASN HD2y 1.0 . 4.76 536 389 A 34 TRP H A 34 TRP HBy 1.0 . 3.17 537 389 A 34 TRP H A 34 TRP HBx 1.0 . 3.17 538 390 A 34 TRP HE3 A 34 TRP HBy 1.0 . 3.03 539 390 A 34 TRP HE3 A 34 TRP HBx 1.0 . 3.03 540 391 A 35 ASN H A 34 TRP HBy 1.0 . 4.47 541 391 A 35 ASN H A 34 TRP HBx 1.0 . 4.47 542 392 A 35 ASN H A 35 ASN HBy 1.0 . 3.43 543 392 A 35 ASN H A 35 ASN HBx 1.0 . 3.43 544 393 A 35 ASN H A 35 ASN HD2x 1.0 . 4.55 545 393 A 35 ASN H A 35 ASN HD2y 1.0 . 4.55 546 394 A 35 ASN HA A 35 ASN HD2x 1.0 . 4.84 547 394 A 35 ASN HA A 35 ASN HD2y 1.0 . 4.84 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 GLY C A 2 ILE N A 2 ILE CA A 2 ILE C 1.0 -86.8 -46.2 PHI 2 2 A 2 ILE N A 2 ILE CA A 2 ILE C A 3 GLY N 1.0 -60.4 -25.0 PSI 3 3 A 2 ILE C A 3 GLY N A 3 GLY CA A 3 GLY C 1.0 -78.7 -52.6 PHI 4 4 A 3 GLY N A 3 GLY CA A 3 GLY C A 4 ALA N 1.0 -50.2 -18.8 PSI 5 5 A 3 GLY C A 4 ALA N A 4 ALA CA A 4 ALA C 1.0 -76.6 -54.5 PHI 6 6 A 4 ALA N A 4 ALA CA A 4 ALA C A 5 LEU N 1.0 -61.1 -14.7 PSI 7 7 A 4 ALA C A 5 LEU N A 5 LEU CA A 5 LEU C 1.0 -78.7 -47.5 PHI 8 8 A 5 LEU N A 5 LEU CA A 5 LEU C A 6 PHE N 1.0 -48.5 -28.5 PSI 9 9 A 5 LEU C A 6 PHE N A 6 PHE CA A 6 PHE C 1.0 -74.9 -54.9 PHI 10 10 A 6 PHE N A 6 PHE CA A 6 PHE C A 7 LEU N 1.0 -53.5 -31.8 PSI 11 11 A 6 PHE C A 7 LEU N A 7 LEU CA A 7 LEU C 1.0 -72.7 -52.7 PHI 12 12 A 7 LEU N A 7 LEU CA A 7 LEU C A 8 GLY N 1.0 -53.2 -22.0 PSI 13 13 A 8 GLY C A 9 PHE N A 9 PHE CA A 9 PHE C 1.0 -82.1 -54.5 PHI 14 14 A 9 PHE N A 9 PHE CA A 9 PHE C A 10 LEU N 1.0 -60.1 -0.6 PSI 15 15 A 9 PHE C A 10 LEU N A 10 LEU CA A 10 LEU C 1.0 -79.2 -47.6 PHI 16 16 A 10 LEU N A 10 LEU CA A 10 LEU C A 11 GLY N 1.0 -64.9 -10.3 PSI 17 17 A 10 LEU C A 11 GLY N A 11 GLY CA A 11 GLY C 1.0 -81.4 -41.6 PHI 18 18 A 11 GLY N A 11 GLY CA A 11 GLY C A 12 ALA N 1.0 -68.3 -12.4 PSI 19 19 A 11 GLY C A 12 ALA N A 12 ALA CA A 12 ALA C 1.0 -88.5 -51.6 PHI 20 20 A 12 ALA N A 12 ALA CA A 12 ALA C A 13 ALA N 1.0 -49.0 8.3 PSI 21 21 A 12 ALA C A 13 ALA N A 13 ALA CA A 13 ALA C 1.0 -109.4 -43.5 PHI 22 22 A 13 ALA N A 13 ALA CA A 13 ALA C A 14 GLY N 1.0 -64.7 29.9 PSI 23 23 A 13 ALA C A 14 GLY N A 14 GLY CA A 14 GLY C 1.0 -125.2 -20.3 PHI 24 24 A 14 GLY N A 14 GLY CA A 14 GLY C A 15 SER N 1.0 -78.6 30.4 PSI 25 25 A 14 GLY C A 15 SER N A 15 SER CA A 15 SER C 1.0 -129.1 -53.8 PHI 26 26 A 15 SER N A 15 SER CA A 15 SER C A 16 LYS N 1.0 -71.6 33.1 PSI 27 27 A 15 SER C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -81.9 -47.8 PHI 28 28 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 LYS N 1.0 -57.1 -8.6 PSI 29 29 A 16 LYS C A 17 LYS N A 17 LYS CA A 17 LYS C 1.0 -139.5 -40.4 PHI 30 30 A 19 LYS N A 19 LYS CA A 19 LYS C A 20 ASN N 1.0 -61.1 0.6 PSI 31 31 A 19 LYS C A 20 ASN N A 20 ASN CA A 20 ASN C 1.0 -111.7 -18.8 PHI 32 32 A 20 ASN C A 21 GLU N A 21 GLU CA A 21 GLU C 1.0 -79.8 -49.2 PHI 33 33 A 21 GLU N A 21 GLU CA A 21 GLU C A 22 GLN N 1.0 -55.5 -13.6 PSI 34 34 A 21 GLU C A 22 GLN N A 22 GLN CA A 22 GLN C 1.0 -78.5 -55.8 PHI 35 35 A 22 GLN N A 22 GLN CA A 22 GLN C A 23 GLU N 1.0 -52.0 -28.4 PSI 36 36 A 22 GLN C A 23 GLU N A 23 GLU CA A 23 GLU C 1.0 -79.0 -59.0 PHI 37 37 A 23 GLU N A 23 GLU CA A 23 GLU C A 24 LEU N 1.0 -58.6 -23.1 PSI 38 38 A 23 GLU C A 24 LEU N A 24 LEU CA A 24 LEU C 1.0 -96.2 -43.5 PHI 39 39 A 24 LEU N A 24 LEU CA A 24 LEU C A 25 LEU N 1.0 -72.7 20.6 PSI 40 40 A 24 LEU C A 25 LEU N A 25 LEU CA A 25 LEU C 1.0 -103.1 -40.4 PHI 41 41 A 25 LEU N A 25 LEU CA A 25 LEU C A 26 GLU N 1.0 -71.1 22.1 PSI 42 42 A 25 LEU C A 26 GLU N A 26 GLU CA A 26 GLU C 1.0 -78.2 -58.2 PHI 43 43 A 26 GLU N A 26 GLU CA A 26 GLU C A 27 LEU N 1.0 -57.1 -24.2 PSI 44 44 A 26 GLU C A 27 LEU N A 27 LEU CA A 27 LEU C 1.0 -75.4 -44.9 PHI 45 45 A 27 LEU N A 27 LEU CA A 27 LEU C A 28 ASP N 1.0 -49.7 -29.3 PSI 46 46 A 27 LEU C A 28 ASP N A 28 ASP CA A 28 ASP C 1.0 -83.3 -58.2 PHI 47 47 A 28 ASP N A 28 ASP CA A 28 ASP C A 29 LYS N 1.0 -64.4 -0.7 PSI 48 48 A 28 ASP C A 29 LYS N A 29 LYS CA A 29 LYS C 1.0 -73.8 -53.4 PHI 49 49 A 29 LYS N A 29 LYS CA A 29 LYS C A 30 TRP N 1.0 -49.3 -21.5 PSI 50 50 A 29 LYS C A 30 TRP N A 30 TRP CA A 30 TRP C 1.0 -85.8 -47.9 PHI 51 51 A 30 TRP N A 30 TRP CA A 30 TRP C A 31 ALA N 1.0 -55.3 -32.4 PSI 52 52 A 30 TRP C A 31 ALA N A 31 ALA CA A 31 ALA C 1.0 -70.4 -49.8 PHI 53 53 A 31 ALA N A 31 ALA CA A 31 ALA C A 32 SER N 1.0 -50.3 -19.0 PSI 54 54 A 31 ALA C A 32 SER N A 32 SER CA A 32 SER C 1.0 -76.7 -48.8 PHI 55 55 A 32 SER N A 32 SER CA A 32 SER C A 33 LEU N 1.0 -57.6 -21.2 PSI 56 56 A 32 SER C A 33 LEU N A 33 LEU CA A 33 LEU C 1.0 -87.4 -46.2 PHI 57 57 A 33 LEU N A 33 LEU CA A 33 LEU C A 34 TRP N 1.0 -56.4 -22.7 PSI 58 58 A 33 LEU C A 34 TRP N A 34 TRP CA A 34 TRP C 1.0 -114.0 -33.7 PHI 59 59 A 34 TRP N A 34 TRP CA A 34 TRP C A 35 ASN N 1.0 -65.8 -8.6 PSI stop_ save_