data_nef_c34133_5nwv 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 5NWV 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 PHE middle . . 6 A 6 GLY middle . false 7 A 7 LEU middle . . 8 A 8 LEU middle . . 9 A 9 GLY middle . false 10 A 10 PHE middle . . 11 A 11 LEU middle . . 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 HAy H 1 3.895 0.002 A 1 GLY HAx H 1 3.835 0.001 A 1 GLY CA C 13 43.609 0.007 A 2 ILE H H 1 8.173 0.003 A 2 ILE HA H 1 4.261 0.002 A 2 ILE HB H 1 1.928 0.003 A 2 ILE HD1% H 1 0.922 0.005 A 2 ILE HG1x H 1 1.254 0.002 A 2 ILE HG1y H 1 1.539 0.003 A 2 ILE HG2% H 1 0.988 0.001 A 2 ILE CA C 13 62.238 0.000 A 2 ILE CB C 13 39.295 0.000 A 2 ILE CD1 C 13 12.669 0.000 A 2 ILE CG1 C 13 27.419 0.018 A 2 ILE CG2 C 13 16.967 0.000 A 3 GLY H H 1 8.088 0.003 A 3 GLY HAx H 1 3.896 0.002 A 3 GLY HAy H 1 3.950 0.005 A 3 GLY CA C 13 45.784 0.005 A 3 GLY N N 15 110.274 0.000 A 4 ALA H H 1 7.800 0.002 A 4 ALA HA H 1 4.192 0.003 A 4 ALA HB% H 1 1.354 0.002 A 4 ALA CA C 13 54.157 0.000 A 4 ALA CB C 13 18.017 0.000 A 5 PHE H H 1 7.698 0.002 A 5 PHE HA H 1 4.418 0.004 A 5 PHE HBx H 1 3.135 0.004 A 5 PHE HBy H 1 3.190 0.007 A 5 PHE HD1 H 1 7.238 0.003 A 5 PHE HD2 H 1 7.238 0.003 A 5 PHE HE1 H 1 7.329 0.001 A 5 PHE HE2 H 1 7.329 0.001 A 5 PHE HZ H 1 7.275 0.000 A 5 PHE CA C 13 59.932 0.000 A 5 PHE CB C 13 38.734 0.010 A 5 PHE N N 15 115.812 0.000 A 6 GLY H H 1 7.963 0.004 A 6 GLY HAx H 1 3.779 0.006 A 6 GLY HAy H 1 3.883 0.002 A 6 GLY N N 15 106.371 0.000 A 7 LEU H H 1 7.568 0.001 A 7 LEU HA H 1 4.310 0.005 A 7 LEU HBx H 1 1.678 0.006 A 7 LEU HBy H 1 1.820 0.002 A 7 LEU HDx% H 1 0.924 0.006 A 7 LEU HDy% H 1 0.990 0.003 A 7 LEU HG H 1 1.684 0.001 A 7 LEU CA C 13 57.866 0.000 A 7 LEU CB C 13 42.405 0.000 A 7 LEU CD1 C 13 21.776 0.000 A 7 LEU CD2 C 13 23.072 0.000 A 8 LEU H H 1 7.847 0.002 A 8 LEU HA H 1 4.110 0.002 A 8 LEU HBx H 1 1.628 0.002 A 8 LEU HBy H 1 1.763 0.003 A 8 LEU HDx% H 1 0.903 0.002 A 8 LEU HDy% H 1 0.949 0.007 A 8 LEU HG H 1 1.631 0.000 A 8 LEU CA C 13 58.554 0.000 A 8 LEU CB C 13 41.540 0.007 A 8 LEU CD1 C 13 22.712 0.000 A 8 LEU CD2 C 13 24.498 0.000 A 9 GLY H H 1 7.780 0.002 A 9 GLY HAx H 1 3.746 0.002 A 9 GLY HAy H 1 3.746 0.002 A 9 GLY CA C 13 47.037 0.000 A 10 PHE H H 1 7.642 0.004 A 10 PHE HA H 1 4.358 0.004 A 10 PHE HBx H 1 3.211 0.003 A 10 PHE HBy H 1 3.312 0.008 A 10 PHE HD1 H 1 7.202 0.002 A 10 PHE HD2 H 1 7.202 0.002 A 10 PHE HE1 H 1 7.246 0.000 A 10 PHE HE2 H 1 7.246 0.000 A 10 PHE CA C 13 61.080 0.000 A 10 PHE CB C 13 39.143 0.001 A 10 PHE N N 15 115.090 0.000 A 11 LEU H H 1 8.433 0.003 A 11 LEU HA H 1 4.040 0.004 A 11 LEU HBx H 1 1.953 0.006 A 11 LEU HBy H 1 1.996 0.003 A 11 LEU HDx% H 1 0.931 0.010 A 11 LEU HDy% H 1 0.931 0.010 A 11 LEU HG H 1 1.506 0.005 A 11 LEU CA C 13 57.995 0.000 A 11 LEU CB C 13 41.792 0.000 A 11 LEU CD1 C 13 23.761 0.000 A 11 LEU CD2 C 13 24.635 0.000 A 11 LEU N N 15 121.287 0.000 A 12 ALA H H 1 8.692 0.002 A 12 ALA HA H 1 4.045 0.003 A 12 ALA HB% H 1 1.481 0.002 A 12 ALA CA C 13 55.112 0.000 A 12 ALA CB C 13 17.727 0.000 A 12 ALA N N 15 122.255 0.000 A 13 ALA H H 1 7.980 0.003 A 13 ALA HA H 1 4.143 0.002 A 13 ALA HB% H 1 1.487 0.003 A 13 ALA CA C 13 54.887 0.000 A 13 ALA CB C 13 17.896 0.000 A 13 ALA N N 15 120.430 0.000 A 14 GLY H H 1 8.136 0.002 A 14 GLY HAx H 1 3.780 0.004 A 14 GLY HAy H 1 3.892 0.001 A 14 GLY CA C 13 46.435 0.000 A 14 GLY N N 15 105.498 0.000 A 15 SER H H 1 8.011 0.003 A 15 SER HA H 1 4.293 0.002 A 15 SER HBx H 1 3.964 0.002 A 15 SER HBy H 1 4.006 0.003 A 15 SER CA C 13 60.153 0.000 A 15 SER CB C 13 63.683 0.000 A 15 SER N N 15 115.226 0.000 A 16 LYS H H 1 7.732 0.001 A 16 LYS HA H 1 4.317 0.003 A 16 LYS HBx H 1 1.940 0.004 A 16 LYS HBy H 1 1.940 0.004 A 16 LYS HDx H 1 1.716 0.004 A 16 LYS HDy H 1 1.716 0.004 A 16 LYS HGx H 1 1.495 0.000 A 16 LYS HGy H 1 1.533 0.000 A 16 LYS CA C 13 56.871 0.000 A 16 LYS CB C 13 32.326 0.000 A 16 LYS CD C 13 28.916 0.000 A 16 LYS N N 15 120.873 0.000 A 17 LYS H H 1 7.867 0.002 A 17 LYS HA H 1 4.281 0.004 A 17 LYS HBx H 1 1.841 0.004 A 17 LYS HBy H 1 1.841 0.004 A 17 LYS HEx H 1 2.999 0.000 A 17 LYS HEy H 1 2.999 0.000 A 17 LYS HGx H 1 1.483 0.000 A 17 LYS HGy H 1 1.483 0.000 A 17 LYS CA C 13 56.732 0.000 A 17 LYS CB C 13 33.339 0.000 A 17 LYS CE C 13 42.369 0.000 A 17 LYS N N 15 120.192 0.000 A 18 ACA H2x H 1 2.309 0.004 A 18 ACA H2y H 1 2.384 0.003 A 18 ACA H3x H 1 1.635 0.003 A 18 ACA H3y H 1 1.675 0.004 A 18 ACA H4x H 1 1.348 0.003 A 18 ACA H4y H 1 1.348 0.003 A 18 ACA H5x H 1 1.545 0.004 A 18 ACA H5y H 1 1.545 0.004 A 18 ACA H6x H 1 3.211 0.003 A 18 ACA H6y H 1 3.211 0.003 A 18 ACA HN61 H 1 7.530 0.003 A 18 ACA C2 C 13 38.135 0.000 A 18 ACA C3 C 13 27.392 0.000 A 18 ACA C4 C 13 28.518 0.000 A 18 ACA C5 C 13 30.828 0.000 A 18 ACA C6 C 13 42.178 0.000 A 18 ACA N6 N 15 120.306 0.000 A 19 LYS H H 1 8.114 0.005 A 19 LYS HA H 1 4.356 0.004 A 19 LYS HBx H 1 1.805 0.004 A 19 LYS HBy H 1 1.881 0.002 A 19 LYS HEx H 1 3.042 0.000 A 19 LYS HEy H 1 3.042 0.000 A 19 LYS HGx H 1 1.511 0.005 A 19 LYS HGy H 1 1.511 0.005 A 19 LYS CA C 13 56.878 0.000 A 19 LYS CB C 13 33.326 0.000 A 19 LYS CE C 13 42.122 0.000 A 19 LYS CG C 13 24.746 0.000 A 19 LYS N N 15 124.148 0.000 A 20 ASN H H 1 8.090 0.002 A 20 ASN HA H 1 4.686 0.005 A 20 ASN HBx H 1 3.010 0.003 A 20 ASN HBy H 1 3.010 0.003 A 20 ASN HD2x H 1 6.745 0.001 A 20 ASN HD2y H 1 7.389 0.002 A 20 ASN CA C 13 53.118 0.000 A 20 ASN CB C 13 39.267 0.000 A 20 ASN N N 15 115.616 0.000 A 21 GLU H H 1 9.229 0.001 A 21 GLU HA H 1 4.048 0.003 A 21 GLU HBx H 1 2.124 0.002 A 21 GLU HBy H 1 2.124 0.002 A 21 GLU HGx H 1 2.407 0.002 A 21 GLU HGy H 1 2.462 0.002 A 21 GLU CA C 13 60.305 0.000 A 21 GLU CB C 13 28.991 0.000 A 21 GLU CG C 13 35.991 0.007 A 22 GLN H H 1 8.192 0.002 A 22 GLN HA H 1 4.063 0.004 A 22 GLN HBx H 1 2.193 0.002 A 22 GLN HBy H 1 2.193 0.002 A 22 GLN HE2x H 1 6.568 0.003 A 22 GLN HE2y H 1 7.239 0.004 A 22 GLN HGx H 1 2.463 0.002 A 22 GLN HGy H 1 2.463 0.002 A 22 GLN CA C 13 59.515 0.000 A 22 GLN CB C 13 28.062 0.000 A 22 GLN CG C 13 34.203 0.000 A 22 GLN N N 15 117.734 0.000 A 22 GLN NE2 N 15 109.789 0.035 A 23 GLU H H 1 8.093 0.002 A 23 GLU HA H 1 4.100 0.004 A 23 GLU HBx H 1 2.161 0.002 A 23 GLU HBy H 1 2.161 0.002 A 23 GLU HGx H 1 2.371 0.006 A 23 GLU HGy H 1 2.590 0.002 A 23 GLU CA C 13 59.510 0.000 A 23 GLU CB C 13 29.737 0.000 A 23 GLU CG C 13 36.376 0.014 A 23 GLU N N 15 118.324 0.000 A 24 LEU H H 1 7.769 0.004 A 24 LEU HA H 1 4.191 0.002 A 24 LEU HBx H 1 1.717 0.005 A 24 LEU HBy H 1 1.853 0.002 A 24 LEU HDx% H 1 0.928 0.003 A 24 LEU HDy% H 1 0.928 0.003 A 24 LEU HG H 1 1.747 0.000 A 24 LEU CA C 13 58.173 0.000 A 24 LEU CB C 13 41.841 0.000 A 24 LEU CD1 C 13 23.045 0.000 A 24 LEU CD2 C 13 23.870 0.000 A 24 LEU CG C 13 27.183 0.000 A 24 LEU N N 15 119.313 0.000 A 25 LEU H H 1 7.994 0.003 A 25 LEU HA H 1 4.183 0.003 A 25 LEU HBx H 1 1.648 0.002 A 25 LEU HBy H 1 1.956 0.002 A 25 LEU HDx% H 1 0.947 0.007 A 25 LEU HDy% H 1 0.947 0.007 A 25 LEU HG H 1 1.853 0.003 A 25 LEU CA C 13 58.150 0.000 A 25 LEU CB C 13 41.864 0.000 A 25 LEU CD1 C 13 22.869 0.000 A 25 LEU CD2 C 13 23.647 0.000 A 25 LEU CG C 13 27.127 0.000 A 25 LEU N N 15 118.882 0.000 A 26 GLU H H 1 7.908 0.001 A 26 GLU HA H 1 4.179 0.002 A 26 GLU HBx H 1 2.242 0.005 A 26 GLU HBy H 1 2.242 0.005 A 26 GLU HGx H 1 2.459 0.004 A 26 GLU HGy H 1 2.544 0.004 A 26 GLU CA C 13 59.112 0.000 A 26 GLU CB C 13 29.050 0.000 A 26 GLU CG C 13 35.361 0.006 A 27 LEU H H 1 8.166 0.002 A 27 LEU HA H 1 4.295 0.004 A 27 LEU HBx H 1 1.897 0.003 A 27 LEU HBy H 1 1.897 0.003 A 27 LEU HDx% H 1 0.935 0.002 A 27 LEU HDy% H 1 0.998 0.005 A 27 LEU HG H 1 1.856 0.004 A 27 LEU CA C 13 58.572 0.000 A 27 LEU CB C 13 41.966 0.000 A 27 LEU CD1 C 13 24.203 0.000 A 27 LEU CD2 C 13 23.799 0.000 A 27 LEU CG C 13 27.270 0.000 A 27 LEU N N 15 121.478 0.000 A 28 ASP H H 1 8.418 0.002 A 28 ASP HA H 1 4.478 0.004 A 28 ASP HBx H 1 2.844 0.003 A 28 ASP HBy H 1 2.914 0.004 A 28 ASP CA C 13 57.418 0.000 A 28 ASP CB C 13 40.978 0.015 A 29 LYS H H 1 8.096 0.014 A 29 LYS HA H 1 4.077 0.003 A 29 LYS HBx H 1 1.980 0.005 A 29 LYS HBy H 1 2.067 0.003 A 29 LYS HDx H 1 1.707 0.001 A 29 LYS HDy H 1 1.707 0.001 A 29 LYS HEx H 1 2.899 0.002 A 29 LYS HEy H 1 2.945 0.001 A 29 LYS HGx H 1 1.447 0.001 A 29 LYS HGy H 1 1.582 0.005 A 29 LYS CA C 13 59.435 0.000 A 29 LYS CB C 13 31.988 0.000 A 29 LYS CE C 13 42.302 0.004 A 29 LYS CG C 13 24.696 0.000 A 29 LYS N N 15 120.413 0.000 A 30 TRP H H 1 8.335 0.001 A 30 TRP HA H 1 4.419 0.003 A 30 TRP HBx H 1 3.378 0.003 A 30 TRP HBy H 1 3.479 0.004 A 30 TRP HD1 H 1 7.167 0.001 A 30 TRP HE1 H 1 9.234 0.003 A 30 TRP HE3 H 1 7.680 0.003 A 30 TRP HH2 H 1 7.240 0.002 A 30 TRP HZ2 H 1 7.241 0.002 A 30 TRP HZ3 H 1 7.135 0.004 A 30 TRP CA C 13 60.780 0.000 A 30 TRP CB C 13 29.156 0.011 A 30 TRP N N 15 121.364 0.000 A 30 TRP NE1 N 15 125.681 0.000 A 31 ALA H H 1 8.975 0.002 A 31 ALA HA H 1 3.840 0.003 A 31 ALA HB% H 1 1.551 0.002 A 31 ALA CA C 13 55.414 0.000 A 31 ALA CB C 13 17.774 0.000 A 31 ALA N N 15 120.401 0.000 A 32 SER H H 1 8.050 0.002 A 32 SER HA H 1 4.257 0.003 A 32 SER HBx H 1 4.008 0.003 A 32 SER HBy H 1 4.092 0.003 A 32 SER CA C 13 61.464 0.000 A 32 SER CB C 13 63.276 0.012 A 32 SER N N 15 113.071 0.000 A 33 LEU H H 1 7.791 0.003 A 33 LEU HA H 1 4.117 0.003 A 33 LEU HBx H 1 1.288 0.003 A 33 LEU HBy H 1 1.634 0.006 A 33 LEU HDx% H 1 0.817 0.016 A 33 LEU HDy% H 1 0.756 0.017 A 33 LEU HG H 1 1.594 0.003 A 33 LEU CA C 13 57.312 0.000 A 33 LEU CB C 13 41.991 0.001 A 33 LEU CD1 C 13 22.738 0.000 A 33 LEU CD2 C 13 24.289 0.000 A 33 LEU N N 15 123.391 0.000 A 34 TRP H H 1 7.796 0.002 A 34 TRP HA H 1 4.503 0.004 A 34 TRP HBx H 1 2.931 0.002 A 34 TRP HBy H 1 3.159 0.005 A 34 TRP HD1 H 1 6.767 0.001 A 34 TRP HE1 H 1 8.201 0.002 A 34 TRP HE3 H 1 7.538 0.001 A 34 TRP HH2 H 1 7.177 0.002 A 34 TRP HZ2 H 1 7.294 0.002 A 34 TRP HZ3 H 1 7.114 0.001 A 34 TRP CA C 13 58.115 0.000 A 34 TRP CB C 13 29.545 0.015 A 34 TRP NE1 N 15 125.422 0.000 A 35 ASN H H 1 7.885 0.002 A 35 ASN HA H 1 4.669 0.005 A 35 ASN HBx H 1 2.702 0.004 A 35 ASN HBy H 1 2.765 0.005 A 35 ASN HD2x H 1 6.444 0.002 A 35 ASN HD2y H 1 7.419 0.001 A 35 ASN CA C 13 53.812 0.000 A 35 ASN CB C 13 39.495 0.003 A 35 ASN N N 15 117.937 0.000 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 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 10 PHE H A 10 PHE HBx 1.0 . 3.44 2 2 A 10 PHE H A 10 PHE HBy 1.0 . 3.56 3 3 A 5 PHE H A 5 PHE HBx 1.0 . 3.83 4 4 A 5 PHE H A 5 PHE HBy 1.0 . 3.83 5 5 A 34 TRP H A 34 TRP HBy 1.0 . 3.57 6 6 A 34 TRP H A 34 TRP HBx 1.0 . 3.57 7 7 A 35 ASN H A 35 ASN HBx 1.0 . 3.85 8 8 A 28 ASP H A 28 ASP HBx 1.0 . 3.37 9 9 A 13 ALA H A 13 ALA HB% 1.0 . 2.95 10 10 A 12 ALA H A 12 ALA HB% 1.0 . 3.01 11 11 A 31 ALA H A 31 ALA HB% 1.0 . 3.06 12 12 A 21 GLU H A 21 GLU HGy 1.0 . 4.36 13 13 A 21 GLU H A 21 GLU HGx 1.0 . 4.36 14 14 A 21 GLU H A 21 GLU HBx 1.0 . 3.22 15 14 A 21 GLU H A 21 GLU HBy 1.0 . 3.22 16 15 A 4 ALA H A 4 ALA HB% 1.0 . 3.31 17 16 A 11 LEU H A 11 LEU HBx 1.0 . 3.19 18 17 A 27 LEU H A 27 LEU HBx 1.0 . 3.37 19 17 A 27 LEU H A 27 LEU HBy 1.0 . 3.37 20 18 A 25 LEU H A 25 LEU HBy 1.0 . 4.11 21 19 A 25 LEU H A 25 LEU HBx 1.0 . 4.11 22 20 A 11 LEU H A 11 LEU HG 1.0 . 4.89 23 21 A 13 ALA HB% A 11 LEU H 1.0 . 5.33 24 22 A 7 LEU H A 7 LEU HBy 1.0 . 3.50 25 23 A 16 LYS H A 16 LYS HBx 1.0 . 3.41 26 23 A 16 LYS H A 16 LYS HBy 1.0 . 3.41 27 24 A 16 LYS H A 16 LYS HDx 1.0 . 4.62 28 24 A 16 LYS H A 16 LYS HDy 1.0 . 4.62 29 25 A 33 LEU H A 33 LEU HBy 1.0 . 2.92 30 26 A 33 LEU H A 33 LEU HBx 1.0 . 3.65 31 27 A 8 LEU H A 8 LEU HBx 1.0 . 3.72 32 28 A 8 LEU H A 8 LEU HBy 1.0 . 3.72 33 29 A 11 LEU H A 8 LEU HA 1.0 . 4.09 34 30 A 17 LYS H A 17 LYS HBx 1.0 . 3.61 35 30 A 17 LYS H A 17 LYS HBy 1.0 . 3.61 36 31 A 24 LEU H A 24 LEU HBx 1.0 . 3.59 37 32 A 13 ALA H A 11 LEU HA 1.0 . 5.50 38 33 A 19 LYS H A 19 LYS HGx 1.0 . 3.35 39 33 A 19 LYS H A 19 LYS HGy 1.0 . 3.35 40 34 A 31 ALA H A 30 TRP HBx 1.0 . 4.03 41 35 A 31 ALA H A 30 TRP HBy 1.0 . 4.03 42 36 A 5 PHE HA A 9 GLY H 1.0 . 5.22 43 37 A 33 LEU H A 30 TRP HA 1.0 . 5.39 44 38 A 5 PHE HA A 5 PHE HD% 1.0 . 4.17 45 39 A 13 ALA H A 10 PHE HA 1.0 . 5.10 46 40 A 31 ALA H A 27 LEU HA 1.0 . 4.90 47 41 A 27 LEU HA A 30 TRP H 1.0 . 4.35 48 42 A 12 ALA H A 8 LEU HA 1.0 . 5.50 49 43 A 12 ALA H A 9 GLY HAx 1.0 . 4.50 50 43 A 12 ALA H A 9 GLY HAy 1.0 . 4.50 51 44 A 24 LEU H A 24 LEU HBy 1.0 . 3.59 52 45 A 33 LEU HBx A 34 TRP HD1 1.0 . 5.20 53 46 A 2 ILE H A 2 ILE HB 1.0 . 2.40 54 47 A 12 ALA H A 11 LEU H 1.0 . 3.61 55 48 A 10 PHE H A 12 ALA H 1.0 . 4.51 56 49 A 25 LEU H A 25 LEU HDx% 1.0 . 3.88 57 49 A 25 LEU H A 25 LEU HDy% 1.0 . 3.88 58 50 A 23 GLU H A 20 ASN HBx 1.0 . 4.64 59 50 A 20 ASN HBy A 23 GLU H 1.0 . 4.64 60 51 A 26 GLU H A 26 GLU HGy 1.0 . 4.03 61 52 A 26 GLU H A 26 GLU HGx 1.0 . 4.03 62 53 A 26 GLU H A 26 GLU HBx 1.0 . 3.09 63 53 A 26 GLU H A 26 GLU HBy 1.0 . 3.09 64 54 A 28 ASP H A 29 LYS H 1.0 . 3.59 65 55 A 30 TRP H A 29 LYS H 1.0 . 3.59 66 56 A 28 ASP H A 27 LEU H 1.0 . 3.62 67 57 A 27 LEU H A 26 GLU H 1.0 . 3.56 68 58 A 21 GLU H A 20 ASN H 1.0 . 4.92 69 59 A 21 GLU H A 23 GLU H 1.0 . 5.31 70 60 A 21 GLU H A 22 GLN H 1.0 . 3.68 71 61 A 31 ALA H A 30 TRP H 1.0 . 3.64 72 62 A 11 LEU H A 11 LEU HDx% 1.0 . 3.82 73 62 A 11 LEU H A 11 LEU HDy% 1.0 . 3.82 74 63 A 27 LEU H A 27 LEU HDx% 1.0 . 4.29 75 64 A 24 LEU H A 24 LEU HDx% 1.0 . 3.74 76 64 A 24 LEU H A 24 LEU HDy% 1.0 . 3.74 77 65 A 7 LEU H A 7 LEU HDy% 1.0 . 4.93 78 66 A 7 LEU H A 7 LEU HDx% 1.0 . 4.93 79 67 A 35 ASN H A 35 ASN HBy 1.0 . 3.85 80 68 A 20 ASN HD2y A 20 ASN HBx 1.0 . 3.88 81 68 A 20 ASN HBy A 20 ASN HD2y 1.0 . 3.88 82 69 A 21 GLU HA A 21 GLU HGy 1.0 . 4.20 83 70 A 20 ASN HD2x A 20 ASN HBx 1.0 . 3.88 84 70 A 20 ASN HBy A 20 ASN HD2x 1.0 . 3.88 85 71 A 34 TRP HA A 34 TRP HE3 1.0 . 4.03 86 72 A 5 PHE H A 5 PHE HD% 1.0 . 4.08 87 73 A 22 GLN H A 22 GLN HGx 1.0 . 3.94 88 73 A 22 GLN H A 22 GLN HGy 1.0 . 3.94 89 74 A 22 GLN H A 22 GLN HBx 1.0 . 2.40 90 74 A 22 GLN H A 22 GLN HBy 1.0 . 2.40 91 75 A 25 LEU HA A 25 LEU HG 1.0 . 3.57 92 76 A 27 LEU HA A 27 LEU HBx 1.0 . 2.65 93 76 A 27 LEU HBy A 27 LEU HA 1.0 . 2.65 94 77 A 16 LYS HA A 16 LYS HDx 1.0 . 3.07 95 77 A 16 LYS HDy A 16 LYS HA 1.0 . 3.07 96 78 A 27 LEU HA A 30 TRP HD1 1.0 . 5.50 97 79 A 27 LEU H A 25 LEU HA 1.0 . 5.50 98 80 A 26 GLU H A 22 GLN HA 1.0 . 5.50 99 81 A 29 LYS H A 25 LEU HA 1.0 . 5.50 100 82 A 29 LYS H A 26 GLU HA 1.0 . 5.50 101 83 A 7 LEU H A 7 LEU HBx 1.0 . 3.50 102 84 A 7 LEU H A 4 ALA HA 1.0 . 4.65 103 85 A 10 PHE H A 7 LEU HA 1.0 . 5.50 104 86 A 10 PHE H A 8 LEU HA 1.0 . 4.74 105 87 A 10 PHE H A 9 GLY H 1.0 . 3.69 106 88 A 10 PHE H A 11 LEU H 1.0 . 3.59 107 89 A 10 PHE H A 8 LEU H 1.0 . 4.84 108 90 A 8 LEU H A 5 PHE HA 1.0 . 5.33 109 91 A 24 LEU H A 23 GLU H 1.0 . 3.43 110 92 A 25 LEU H A 24 LEU H 1.0 . 3.49 111 93 A 16 LYS H A 17 LYS H 1.0 . 3.61 112 94 A 25 LEU H A 26 GLU H 1.0 . 3.37 113 95 A 7 LEU H A 6 GLY H 1.0 . 3.70 114 96 A 16 LYS H A 15 SER H 1.0 . 3.58 115 97 A 4 ALA HB% A 7 LEU HDx% 1.0 . 5.50 116 98 A 30 TRP H A 26 GLU HA 1.0 . 4.70 117 99 A 27 LEU H A 23 GLU HA 1.0 . 5.50 118 100 A 30 TRP HA A 30 TRP HD1 1.0 . 4.51 119 101 A 21 GLU H A 20 ASN HBx 1.0 . 3.42 120 101 A 21 GLU H A 20 ASN HBy 1.0 . 3.42 121 102 A 35 ASN H A 34 TRP HBx 1.0 . 4.30 122 103 A 35 ASN H A 34 TRP HBy 1.0 . 4.30 123 104 A 34 TRP HD1 A 34 TRP HA 1.0 . 4.85 124 105 A 34 TRP HD1 A 31 ALA HA 1.0 . 4.40 125 106 A 30 TRP HH2 A 34 TRP HE1 1.0 . 4.50 126 107 A 34 TRP HE1 A 30 TRP HZ3 1.0 . 4.42 127 108 A 34 TRP H A 34 TRP HD1 1.0 . 4.08 128 109 A 31 ALA H A 28 ASP HA 1.0 . 5.18 129 110 A 31 ALA HA A 30 TRP HE3 1.0 . 3.60 130 111 A 31 ALA HB% A 32 SER H 1.0 . 3.49 131 112 A 31 ALA HB% A 28 ASP HA 1.0 . 3.65 132 113 A 21 GLU H A 24 LEU HDx% 1.0 . 5.50 133 113 A 21 GLU H A 24 LEU HDy% 1.0 . 5.50 134 114 A 12 ALA H A 11 LEU HDx% 1.0 . 4.77 135 114 A 12 ALA H A 11 LEU HDy% 1.0 . 4.77 136 115 A 33 LEU H A 33 LEU HDy% 1.0 . 4.43 137 116 A 34 TRP H A 33 LEU HDx% 1.0 . 4.39 138 117 A 30 TRP HA A 30 TRP HE3 1.0 . 5.50 139 118 A 33 LEU HDx% A 33 LEU HA 1.0 . 3.63 140 119 A 30 TRP HE3 A 33 LEU HDy% 1.0 . 4.40 141 120 A 30 TRP HE3 A 33 LEU HDx% 1.0 . 5.50 142 121 A 30 TRP HZ3 A 33 LEU HDy% 1.0 . 4.67 143 122 A 30 TRP HZ3 A 33 LEU HDx% 1.0 . 5.40 144 123 A 30 TRP HD1 A 33 LEU HDy% 1.0 . 4.68 145 124 A 33 LEU HBy A 33 LEU HDy% 1.0 . 3.59 146 125 A 33 LEU HBy A 33 LEU HDx% 1.0 . 3.48 147 126 A 33 LEU HBx A 33 LEU HDy% 1.0 . 4.00 148 127 A 33 LEU HBx A 33 LEU HDx% 1.0 . 3.88 149 128 A 33 LEU HDy% A 33 LEU HA 1.0 . 4.11 150 129 A 33 LEU H A 33 LEU HG 1.0 . 3.24 151 130 A 22 GLN H A 20 ASN HBx 1.0 . 4.44 152 130 A 20 ASN HBy A 22 GLN H 1.0 . 4.44 153 131 A 22 GLN HA A 22 GLN HBx 1.0 . 2.84 154 131 A 22 GLN HBy A 22 GLN HA 1.0 . 2.84 155 132 A 22 GLN HA A 22 GLN HGx 1.0 . 3.33 156 132 A 22 GLN HGy A 22 GLN HA 1.0 . 3.33 157 133 A 22 GLN H A 21 GLU HBx 1.0 . 2.74 158 133 A 21 GLU HBy A 22 GLN H 1.0 . 2.74 159 134 A 21 GLU HA A 21 GLU HGx 1.0 . 4.20 160 135 A 13 ALA HB% A 14 GLY H 1.0 . 3.50 161 136 A 12 ALA H A 11 LEU HBx 1.0 . 4.08 162 137 A 5 PHE H A 4 ALA HB% 1.0 . 3.93 163 138 A 6 GLY H A 5 PHE HBx 1.0 . 4.58 164 139 A 6 GLY H A 5 PHE HBy 1.0 . 4.58 165 140 A 11 LEU HA A 10 PHE HD% 1.0 . 4.48 166 141 A 10 PHE HA A 10 PHE HD% 1.0 . 4.01 167 142 A 7 LEU HA A 10 PHE HD% 1.0 . 3.28 168 143 A 10 PHE H A 7 LEU HDx% 1.0 . 5.50 169 144 A 10 PHE H A 11 LEU HDx% 1.0 . 5.50 170 144 A 10 PHE H A 11 LEU HDy% 1.0 . 5.50 171 145 A 10 PHE H A 7 LEU HDy% 1.0 . 5.50 172 146 A 16 LYS HA A 16 LYS HBx 1.0 . 2.40 173 146 A 16 LYS HBy A 16 LYS HA 1.0 . 2.40 174 147 A 27 LEU HA A 27 LEU HDx% 1.0 . 3.41 175 148 A 27 LEU HA A 27 LEU HDy% 1.0 . 3.81 176 149 A 28 ASP H A 25 LEU HA 1.0 . 4.09 177 150 A 11 LEU H A 10 PHE HD% 1.0 . 4.90 178 151 A 10 PHE HBx A 11 LEU H 1.0 . 4.24 179 152 A 10 PHE HBy A 11 LEU H 1.0 . 4.02 180 153 A 11 LEU HA A 11 LEU HDx% 1.0 . 2.92 181 153 A 11 LEU HA A 11 LEU HDy% 1.0 . 2.92 182 154 A 11 LEU HBx A 11 LEU HA 1.0 . 2.55 183 155 A 8 LEU H A 8 LEU HDy% 1.0 . 4.35 184 156 A 7 LEU H A 8 LEU H 1.0 . 3.66 185 157 A 21 GLU HA A 21 GLU HBx 1.0 . 3.03 186 157 A 21 GLU HBy A 21 GLU HA 1.0 . 3.03 187 158 A 23 GLU HA A 23 GLU HGx 1.0 . 3.85 188 159 A 23 GLU HA A 23 GLU HGy 1.0 . 3.85 189 160 A 24 LEU H A 23 GLU HBx 1.0 . 3.51 190 160 A 24 LEU H A 23 GLU HBy 1.0 . 3.51 191 161 A 23 GLU H A 22 GLN HGx 1.0 . 5.50 192 161 A 23 GLU H A 22 GLN HGy 1.0 . 5.50 193 162 A 27 LEU H A 26 GLU HBx 1.0 . 5.50 194 162 A 27 LEU H A 26 GLU HBy 1.0 . 5.50 195 163 A 30 TRP H A 29 LYS HBx 1.0 . 4.12 196 164 A 26 GLU H A 23 GLU HA 1.0 . 5.50 197 165 A 28 ASP H A 27 LEU HBx 1.0 . 3.43 198 165 A 28 ASP H A 27 LEU HBy 1.0 . 3.43 199 166 A 2 ILE HG2% A 3 GLY H 1.0 . 4.40 200 167 A 22 GLN HGx A 25 LEU HDx% 1.0 . 4.00 201 167 A 22 GLN HGy A 25 LEU HDx% 1.0 . 4.00 202 167 A 25 LEU HDy% A 22 GLN HGx 1.0 . 4.00 203 167 A 25 LEU HDy% A 22 GLN HGy 1.0 . 4.00 204 168 A 25 LEU H A 24 LEU HBy 1.0 . 4.19 205 169 A 25 LEU H A 25 LEU HG 1.0 . 4.63 206 170 A 26 GLU H A 25 LEU HDx% 1.0 . 4.28 207 170 A 25 LEU HDy% A 26 GLU H 1.0 . 4.28 208 171 A 25 LEU H A 24 LEU HDx% 1.0 . 3.92 209 171 A 25 LEU H A 24 LEU HDy% 1.0 . 3.92 210 172 A 25 LEU H A 24 LEU HBx 1.0 . 4.19 211 173 A 24 LEU H A 21 GLU HA 1.0 . 5.50 212 174 A 2 ILE HG2% A 2 ILE HA 1.0 . 4.11 213 175 A 22 GLN HA A 25 LEU HDx% 1.0 . 3.49 214 175 A 25 LEU HDy% A 22 GLN HA 1.0 . 3.49 215 176 A 25 LEU HA A 25 LEU HDx% 1.0 . 3.15 216 176 A 25 LEU HDy% A 25 LEU HA 1.0 . 3.15 217 177 A 24 LEU HA A 24 LEU HDx% 1.0 . 2.97 218 177 A 24 LEU HDy% A 24 LEU HA 1.0 . 2.97 219 178 A 20 ASN H A 24 LEU HDx% 1.0 . 4.19 220 178 A 20 ASN H A 24 LEU HDy% 1.0 . 4.19 221 179 A 30 TRP HE3 A 27 LEU HDy% 1.0 . 4.50 222 180 A 27 LEU HDx% A 30 TRP HE3 1.0 . 4.19 223 181 A 17 LYS H A 16 LYS HBx 1.0 . 5.50 224 181 A 16 LYS HBy A 17 LYS H 1.0 . 5.50 225 182 A 4 ALA HB% A 7 LEU HDy% 1.0 . 5.50 226 183 A 30 TRP HA A 33 LEU HG 1.0 . 4.55 227 184 A 11 LEU H A 7 LEU HA 1.0 . 4.35 228 185 A 10 PHE HD% A 7 LEU HDx% 1.0 . 4.54 229 186 A 10 PHE HD% A 7 LEU HDy% 1.0 . 4.54 230 187 A 10 PHE HE% A 7 LEU HDx% 1.0 . 3.63 231 188 A 10 PHE HE% A 7 LEU HDy% 1.0 . 3.63 232 189 A 27 LEU HDx% A 30 TRP HD1 1.0 . 5.39 233 190 A 30 TRP HD1 A 27 LEU HDy% 1.0 . 5.19 234 191 A 27 LEU HDx% A 30 TRP HZ3 1.0 . 3.87 235 192 A 30 TRP HZ3 A 27 LEU HDy% 1.0 . 5.50 236 193 A 31 ALA HB% A 35 ASN HD2y 1.0 . 5.17 237 194 A 31 ALA HB% A 30 TRP HE3 1.0 . 4.03 238 195 A 28 ASP H A 27 LEU HDy% 1.0 . 5.50 239 196 A 2 ILE H A 2 ILE HG2% 1.0 . 4.78 240 197 A 27 LEU H A 27 LEU HDy% 1.0 . 5.18 241 198 A 27 LEU H A 27 LEU HG 1.0 . 4.66 242 199 A 17 LYS H A 17 LYS HGx 1.0 . 3.55 243 199 A 17 LYS H A 17 LYS HGy 1.0 . 3.55 244 200 A 30 TRP H A 30 TRP HBy 1.0 . 3.42 245 201 A 30 TRP H A 30 TRP HBx 1.0 . 3.42 246 202 A 28 ASP H A 28 ASP HBy 1.0 . 3.37 247 203 A 30 TRP H A 29 LYS HBy 1.0 . 4.12 248 204 A 23 GLU H A 22 GLN H 1.0 . 3.23 249 205 A 15 SER H A 14 GLY H 1.0 . 3.33 250 206 A 13 ALA H A 14 GLY H 1.0 . 3.44 251 207 A 34 TRP H A 35 ASN H 1.0 . 3.19 252 208 A 5 PHE H A 6 GLY H 1.0 . 3.64 253 209 A 5 PHE H A 4 ALA H 1.0 . 3.57 254 210 A 33 LEU H A 32 SER H 1.0 . 3.30 255 211 A 24 LEU H A 22 GLN H 1.0 . 4.02 256 212 A 30 TRP H A 30 TRP HD1 1.0 . 5.13 257 213 A 31 ALA H A 32 SER H 1.0 . 3.71 258 214 A 13 ALA H A 12 ALA H 1.0 . 3.62 259 215 A 31 ALA H A 30 TRP HE3 1.0 . 4.34 260 216 A 30 TRP H A 30 TRP HE3 1.0 . 4.54 261 217 A 31 ALA H A 30 TRP HD1 1.0 . 5.50 262 218 A 11 LEU H A 11 LEU HBy 1.0 . 3.19 263 219 A 12 ALA H A 11 LEU HBy 1.0 . 4.52 264 220 A 31 ALA H A 33 LEU H 1.0 . 4.94 265 221 A 33 LEU HBy A 34 TRP HD1 1.0 . 4.82 266 222 A 31 ALA HB% A 34 TRP HD1 1.0 . 5.25 267 223 A 31 ALA HB% A 30 TRP HZ3 1.0 . 4.16 268 224 A 13 ALA HB% A 10 PHE HD% 1.0 . 4.24 269 225 A 4 ALA HB% A 5 PHE HD% 1.0 . 4.87 270 226 A 31 ALA HB% A 35 ASN HD2x 1.0 . 5.17 271 227 A 12 ALA HB% A 9 GLY HAx 1.0 . 3.46 272 227 A 12 ALA HB% A 9 GLY HAy 1.0 . 3.46 273 228 A 5 PHE HA A 8 LEU HBx 1.0 . 4.42 274 229 A 33 LEU HBy A 30 TRP HA 1.0 . 4.50 275 230 A 5 PHE HA A 8 LEU HBy 1.0 . 4.42 276 231 A 23 GLU HA A 26 GLU HBx 1.0 . 3.81 277 231 A 26 GLU HBy A 23 GLU HA 1.0 . 3.81 278 232 A 11 LEU HBx A 8 LEU HA 1.0 . 4.17 279 233 A 8 LEU HA A 11 LEU HBy 1.0 . 4.76 280 234 A 30 TRP HA A 33 LEU HDy% 1.0 . 4.19 281 235 A 13 ALA HB% A 10 PHE HA 1.0 . 2.78 282 236 A 25 LEU HA A 28 ASP HBy 1.0 . 3.96 283 237 A 25 LEU HA A 28 ASP HBx 1.0 . 3.96 284 238 A 10 PHE HBy A 7 LEU HA 1.0 . 2.69 285 239 A 10 PHE HBx A 7 LEU HA 1.0 . 5.09 286 240 A 11 LEU HA A 14 GLY H 1.0 . 5.50 287 241 A 14 GLY H A 12 ALA HA 1.0 . 5.50 288 242 A 8 LEU H A 8 LEU HDx% 1.0 . 4.35 289 243 A 4 ALA HA A 7 LEU HDx% 1.0 . 4.74 290 243 A 4 ALA HA A 7 LEU HDy% 1.0 . 4.74 291 244 A 5 PHE H A 5 PHE HBy 1.0 . 3.26 292 244 A 5 PHE H A 5 PHE HBx 1.0 . 3.26 293 245 A 5 PHE HA A 8 LEU HBy 1.0 . 3.81 294 245 A 5 PHE HA A 8 LEU HBx 1.0 . 3.81 295 246 A 7 LEU H A 7 LEU HBy 1.0 . 2.99 296 246 A 7 LEU H A 7 LEU HBx 1.0 . 2.99 297 247 A 7 LEU H A 7 LEU HDx% 1.0 . 4.15 298 247 A 7 LEU H A 7 LEU HDy% 1.0 . 4.15 299 248 A 7 LEU HA A 7 LEU HDx% 1.0 . 3.67 300 248 A 7 LEU HA A 7 LEU HDy% 1.0 . 3.67 301 249 A 10 PHE HD% A 7 LEU HDx% 1.0 . 3.53 302 249 A 10 PHE HD% A 7 LEU HDy% 1.0 . 3.53 303 250 A 10 PHE HE% A 7 LEU HDx% 1.0 . 3.09 304 250 A 10 PHE HE% A 7 LEU HDy% 1.0 . 3.09 305 251 A 11 LEU H A 7 LEU HDx% 1.0 . 5.44 306 251 A 11 LEU H A 7 LEU HDy% 1.0 . 5.44 307 252 A 8 LEU H A 8 LEU HBy 1.0 . 3.01 308 252 A 8 LEU H A 8 LEU HBx 1.0 . 3.01 309 253 A 8 LEU H A 8 LEU HDx% 1.0 . 3.82 310 253 A 8 LEU H A 8 LEU HDy% 1.0 . 3.82 311 254 A 8 LEU HA A 8 LEU HDx% 1.0 . 2.40 312 254 A 8 LEU HA A 8 LEU HDy% 1.0 . 2.40 313 255 A 9 GLY H A 8 LEU HBy 1.0 . 4.64 314 255 A 9 GLY H A 8 LEU HBx 1.0 . 4.64 315 256 A 16 LYS H A 16 LYS HGx 1.0 . 3.67 316 256 A 16 LYS H A 16 LYS HGy 1.0 . 3.67 317 257 A 16 LYS HA A 16 LYS HGx 1.0 . 2.55 318 257 A 16 LYS HA A 16 LYS HGy 1.0 . 2.55 319 258 A 19 LYS H A 19 LYS HBx 1.0 . 2.84 320 258 A 19 LYS H A 19 LYS HBy 1.0 . 2.84 321 259 A 20 ASN H A 19 LYS HBx 1.0 . 3.29 322 259 A 20 ASN H A 19 LYS HBy 1.0 . 3.29 323 260 A 20 ASN HBy A 20 ASN HD2x 1.0 . 3.26 324 260 A 20 ASN HD2x A 20 ASN HBx 1.0 . 3.26 325 260 A 20 ASN HD2y A 20 ASN HBx 1.0 . 3.26 326 260 A 20 ASN HBy A 20 ASN HD2y 1.0 . 3.26 327 261 A 21 GLU H A 21 GLU HGy 1.0 . 3.77 328 261 A 21 GLU H A 21 GLU HGx 1.0 . 3.77 329 262 A 21 GLU HA A 21 GLU HGy 1.0 . 3.47 330 262 A 21 GLU HA A 21 GLU HGx 1.0 . 3.47 331 263 A 21 GLU HA A 24 LEU HBy 1.0 . 2.71 332 263 A 21 GLU HA A 24 LEU HBx 1.0 . 2.71 333 264 A 22 GLN HA A 25 LEU HBy 1.0 . 2.53 334 264 A 22 GLN HA A 25 LEU HBx 1.0 . 2.53 335 265 A 23 GLU H A 23 GLU HGy 1.0 . 3.47 336 265 A 23 GLU H A 23 GLU HGx 1.0 . 3.47 337 266 A 24 LEU H A 24 LEU HBy 1.0 . 3.05 338 266 A 24 LEU H A 24 LEU HBx 1.0 . 3.05 339 267 A 25 LEU H A 24 LEU HBy 1.0 . 3.47 340 267 A 25 LEU H A 24 LEU HBx 1.0 . 3.47 341 268 A 25 LEU H A 25 LEU HBy 1.0 . 3.46 342 268 A 25 LEU H A 25 LEU HBx 1.0 . 3.46 343 269 A 25 LEU HA A 28 ASP HBy 1.0 . 3.44 344 269 A 25 LEU HA A 28 ASP HBx 1.0 . 3.44 345 270 A 26 GLU H A 25 LEU HBy 1.0 . 4.47 346 270 A 26 GLU H A 25 LEU HBx 1.0 . 4.47 347 271 A 26 GLU H A 26 GLU HGy 1.0 . 3.50 348 271 A 26 GLU H A 26 GLU HGx 1.0 . 3.50 349 272 A 26 GLU HA A 26 GLU HGy 1.0 . 3.69 350 272 A 26 GLU HA A 26 GLU HGx 1.0 . 3.69 351 273 A 26 GLU HA A 29 LYS HBy 1.0 . 4.38 352 273 A 26 GLU HA A 29 LYS HBx 1.0 . 4.38 353 274 A 27 LEU HA A 30 TRP HBy 1.0 . 3.85 354 274 A 27 LEU HA A 30 TRP HBx 1.0 . 3.85 355 275 A 29 LYS H A 28 ASP HBy 1.0 . 3.28 356 275 A 29 LYS H A 28 ASP HBx 1.0 . 3.28 357 276 A 29 LYS H A 29 LYS HBy 1.0 . 2.51 358 276 A 29 LYS H A 29 LYS HBx 1.0 . 2.51 359 277 A 29 LYS H A 29 LYS HGx 1.0 . 3.33 360 277 A 29 LYS H A 29 LYS HGy 1.0 . 3.33 361 278 A 30 TRP H A 29 LYS HBy 1.0 . 3.57 362 278 A 30 TRP H A 29 LYS HBx 1.0 . 3.57 363 279 A 30 TRP H A 29 LYS HGx 1.0 . 4.20 364 279 A 30 TRP H A 29 LYS HGy 1.0 . 4.20 365 280 A 30 TRP HE3 A 30 TRP HBy 1.0 . 3.56 366 280 A 30 TRP HE3 A 30 TRP HBx 1.0 . 3.56 367 281 A 31 ALA H A 30 TRP HBy 1.0 . 3.52 368 281 A 31 ALA H A 30 TRP HBx 1.0 . 3.52 369 282 A 31 ALA HA A 35 ASN HD2x 1.0 . 4.80 370 282 A 31 ALA HA A 35 ASN HD2y 1.0 . 4.80 371 283 A 31 ALA HB% A 35 ASN HD2x 1.0 . 4.40 372 283 A 31 ALA HB% A 35 ASN HD2y 1.0 . 4.40 373 284 A 32 SER HA A 35 ASN HBy 1.0 . 4.26 374 284 A 32 SER HA A 35 ASN HBx 1.0 . 4.26 375 285 A 34 TRP HE3 A 34 TRP HBy 1.0 . 3.63 376 285 A 34 TRP HE3 A 34 TRP HBx 1.0 . 3.63 377 286 A 35 ASN H A 34 TRP HBy 1.0 . 3.59 378 286 A 35 ASN H A 34 TRP HBx 1.0 . 3.59 379 287 A 35 ASN H A 35 ASN HBy 1.0 . 3.25 380 287 A 35 ASN H A 35 ASN HBx 1.0 . 3.25 381 288 A 35 ASN H A 35 ASN HD2x 1.0 . 4.50 382 288 A 35 ASN H A 35 ASN HD2y 1.0 . 4.50 383 289 A 35 ASN HD2x A 35 ASN HBy 1.0 . 3.27 384 289 A 35 ASN HD2x A 35 ASN HBx 1.0 . 3.27 385 289 A 35 ASN HD2y A 35 ASN HBy 1.0 . 3.27 386 289 A 35 ASN HD2y A 35 ASN HBx 1.0 . 3.27 stop_ save_ save_DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 GLY C A 2 ILE N A 2 ILE CA A 2 ILE C 1.0 -135.9 -57.5 PHI 2 2 A 3 GLY C A 4 ALA N A 4 ALA CA A 4 ALA C 1.0 -85.5 -51.1 PHI 3 3 A 4 ALA N A 4 ALA CA A 4 ALA C A 5 PHE N 1.0 -58.7 -0.8 PSI 4 4 A 4 ALA C A 5 PHE N A 5 PHE CA A 5 PHE C 1.0 -99.3 -49.5 PHI 5 5 A 5 PHE N A 5 PHE CA A 5 PHE C A 6 GLY N 1.0 -63.7 3.9 PSI 6 6 A 5 PHE C A 6 GLY N A 6 GLY CA A 6 GLY C 1.0 -87.1 -49.1 PHI 7 7 A 6 GLY N A 6 GLY CA A 6 GLY C A 7 LEU N 1.0 -60.1 -25.5 PSI 8 8 A 6 GLY C A 7 LEU N A 7 LEU CA A 7 LEU C 1.0 -87.1 -45.1 PHI 9 9 A 7 LEU N A 7 LEU CA A 7 LEU C A 8 LEU N 1.0 -49.5 -23.5 PSI 10 10 A 7 LEU C A 8 LEU N A 8 LEU CA A 8 LEU C 1.0 -74.1 -54.1 PHI 11 11 A 8 LEU N A 8 LEU CA A 8 LEU C A 9 GLY N 1.0 -51.5 -20.9 PSI 12 12 A 8 LEU C A 9 GLY N A 9 GLY CA A 9 GLY C 1.0 -99.2 -35.0 PHI 13 13 A 9 GLY N A 9 GLY CA A 9 GLY C A 10 PHE N 1.0 -71.6 10.6 PSI 14 14 A 9 GLY C A 10 PHE N A 10 PHE CA A 10 PHE C 1.0 -85.7 -40.6 PHI 15 15 A 10 PHE N A 10 PHE CA A 10 PHE C A 11 LEU N 1.0 -56.2 -15.7 PSI 16 16 A 10 PHE C A 11 LEU N A 11 LEU CA A 11 LEU C 1.0 -74.2 -53.9 PHI 17 17 A 11 LEU N A 11 LEU CA A 11 LEU C A 12 ALA N 1.0 -49.3 -26.6 PSI 18 18 A 11 LEU C A 12 ALA N A 12 ALA CA A 12 ALA C 1.0 -80.6 -53.2 PHI 19 19 A 12 ALA N A 12 ALA CA A 12 ALA C A 13 ALA N 1.0 -53.6 -15.5 PSI 20 20 A 12 ALA C A 13 ALA N A 13 ALA CA A 13 ALA C 1.0 -77.3 -52.0 PHI 21 21 A 13 ALA N A 13 ALA CA A 13 ALA C A 14 GLY N 1.0 -61.9 -21.2 PSI 22 22 A 13 ALA C A 14 GLY N A 14 GLY CA A 14 GLY C 1.0 -86.1 -47.4 PHI 23 23 A 14 GLY N A 14 GLY CA A 14 GLY C A 15 SER N 1.0 -61.2 -15.7 PSI 24 24 A 14 GLY C A 15 SER N A 15 SER CA A 15 SER C 1.0 -80.3 -43.1 PHI 25 25 A 15 SER N A 15 SER CA A 15 SER C A 16 LYS N 1.0 -66.5 -17.7 PSI 26 26 A 15 SER C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -79.2 -46.1 PHI 27 27 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 LYS N 1.0 -58.8 -14.8 PSI 28 28 A 16 LYS C A 17 LYS N A 17 LYS CA A 17 LYS C 1.0 -114.1 -38.5 PHI 29 29 A 19 LYS N A 19 LYS CA A 19 LYS C A 20 ASN N 1.0 -60.2 21.7 PSI 30 30 A 19 LYS C A 20 ASN N A 20 ASN CA A 20 ASN C 1.0 -177.2 -18.8 PHI 31 31 A 20 ASN N A 20 ASN CA A 20 ASN C A 21 GLU N 1.0 92.2 189.5 PSI 32 32 A 20 ASN C A 21 GLU N A 21 GLU CA A 21 GLU C 1.0 -71.3 -49.0 PHI 33 33 A 21 GLU N A 21 GLU CA A 21 GLU C A 22 GLN N 1.0 -54.6 -14.3 PSI 34 34 A 21 GLU C A 22 GLN N A 22 GLN CA A 22 GLN C 1.0 -71.7 -50.3 PHI 35 35 A 22 GLN N A 22 GLN CA A 22 GLN C A 23 GLU N 1.0 -55.8 -32.5 PSI 36 36 A 22 GLN C A 23 GLU N A 23 GLU CA A 23 GLU C 1.0 -74.6 -53.5 PHI 37 37 A 23 GLU N A 23 GLU CA A 23 GLU C A 24 LEU N 1.0 -56.2 -29.4 PSI 38 38 A 23 GLU C A 24 LEU N A 24 LEU CA A 24 LEU C 1.0 -75.2 -53.2 PHI 39 39 A 24 LEU N A 24 LEU CA A 24 LEU C A 25 LEU N 1.0 -50.7 -30.7 PSI 40 40 A 24 LEU C A 25 LEU N A 25 LEU CA A 25 LEU C 1.0 -73.6 -53.6 PHI 41 41 A 25 LEU N A 25 LEU CA A 25 LEU C A 26 GLU N 1.0 -53.9 -26.4 PSI 42 42 A 25 LEU C A 26 GLU N A 26 GLU CA A 26 GLU C 1.0 -74.6 -54.6 PHI 43 43 A 26 GLU N A 26 GLU CA A 26 GLU C A 27 LEU N 1.0 -57.2 -31.6 PSI 44 44 A 26 GLU C A 27 LEU N A 27 LEU CA A 27 LEU C 1.0 -81.0 -50.1 PHI 45 45 A 27 LEU N A 27 LEU CA A 27 LEU C A 28 ASP N 1.0 -48.5 -28.5 PSI 46 46 A 27 LEU C A 28 ASP N A 28 ASP CA A 28 ASP C 1.0 -78.6 -54.4 PHI 47 47 A 28 ASP N A 28 ASP CA A 28 ASP C A 29 LYS N 1.0 -60.7 -17.0 PSI 48 48 A 28 ASP C A 29 LYS N A 29 LYS CA A 29 LYS C 1.0 -77.3 -53.9 PHI 49 49 A 29 LYS N A 29 LYS CA A 29 LYS C A 30 TRP N 1.0 -50.4 -29.8 PSI 50 50 A 29 LYS C A 30 TRP N A 30 TRP CA A 30 TRP C 1.0 -74.7 -51.0 PHI 51 51 A 30 TRP N A 30 TRP CA A 30 TRP C A 31 ALA N 1.0 -64.5 -18.0 PSI 52 52 A 30 TRP C A 31 ALA N A 31 ALA CA A 31 ALA C 1.0 -72.8 -52.8 PHI 53 53 A 31 ALA N A 31 ALA CA A 31 ALA C A 32 SER N 1.0 -51.4 -28.4 PSI 54 54 A 31 ALA C A 32 SER N A 32 SER CA A 32 SER C 1.0 -75.1 -52.6 PHI 55 55 A 32 SER N A 32 SER CA A 32 SER C A 33 LEU N 1.0 -52.2 -32.2 PSI 56 56 A 32 SER C A 33 LEU N A 33 LEU CA A 33 LEU C 1.0 -75.3 -52.8 PHI 57 57 A 33 LEU N A 33 LEU CA A 33 LEU C A 34 TRP N 1.0 -52.1 -16.5 PSI 58 58 A 33 LEU C A 34 TRP N A 34 TRP CA A 34 TRP C 1.0 -104.8 -45.5 PHI 59 59 A 34 TRP N A 34 TRP CA A 34 TRP C A 35 ASN N 1.0 -64.7 17.1 PSI stop_ save_