data_nef_c34132_5nwu 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 5NWU 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 3.861 0.000 A 1 GLY HAy H 1 3.945 0.000 A 1 GLY CA C 13 43.558 0.001 A 2 ILE H H 1 8.217 0.003 A 2 ILE HA H 1 4.185 0.003 A 2 ILE HB H 1 1.927 0.004 A 2 ILE HD1% H 1 0.925 0.002 A 2 ILE HG1x H 1 1.279 0.011 A 2 ILE HG1y H 1 1.514 0.000 A 2 ILE HG2% H 1 0.977 0.003 A 2 ILE CA C 13 62.833 0.000 A 2 ILE CB C 13 39.048 0.000 A 2 ILE CD1 C 13 12.691 0.000 A 2 ILE CG1 C 13 27.796 0.009 A 2 ILE CG2 C 13 17.018 0.000 A 3 GLY H H 1 8.282 0.002 A 3 GLY HAx H 1 3.834 0.003 A 3 GLY HAy H 1 3.913 0.001 A 3 GLY CA C 13 46.710 0.018 A 3 GLY N N 15 109.479 0.000 A 4 ALA H H 1 7.702 0.003 A 4 ALA HA H 1 4.183 0.002 A 4 ALA HB% H 1 1.470 0.002 A 4 ALA CA C 13 54.608 0.000 A 4 ALA CB C 13 18.006 0.000 A 4 ALA N N 15 121.319 0.000 A 5 LEU H H 1 7.567 0.002 A 5 LEU HA H 1 4.175 0.003 A 5 LEU HBx H 1 1.648 0.003 A 5 LEU HBy H 1 1.770 0.002 A 5 LEU HDx% H 1 0.879 0.003 A 5 LEU HDy% H 1 0.954 0.005 A 5 LEU HG H 1 1.654 0.008 A 5 LEU CA C 13 57.708 0.000 A 5 LEU CB C 13 41.876 0.000 A 5 LEU CD1 C 13 22.930 0.000 A 5 LEU CD2 C 13 24.392 0.000 A 5 LEU CG C 13 27.444 0.000 A 5 LEU N N 15 118.115 0.000 A 6 PHE H H 1 7.756 0.003 A 6 PHE HA H 1 4.433 0.005 A 6 PHE HBx H 1 3.196 0.005 A 6 PHE HBy H 1 3.196 0.005 A 6 PHE HD1 H 1 7.169 0.001 A 6 PHE HD2 H 1 7.169 0.001 A 6 PHE HE1 H 1 7.256 0.001 A 6 PHE HE2 H 1 7.256 0.001 A 6 PHE CA C 13 60.613 0.000 A 6 PHE CB C 13 39.100 0.000 A 6 PHE N N 15 118.536 0.000 A 7 LEU H H 1 7.985 0.003 A 7 LEU HA H 1 4.100 0.004 A 7 LEU HBx H 1 1.562 0.002 A 7 LEU HBy H 1 1.844 0.000 A 7 LEU HDx% H 1 0.925 0.003 A 7 LEU HDy% H 1 0.925 0.003 A 7 LEU HG H 1 1.800 0.002 A 7 LEU CA C 13 58.032 0.000 A 7 LEU CB C 13 41.575 0.004 A 7 LEU CD1 C 13 22.355 0.000 A 7 LEU CG C 13 27.145 0.000 A 7 LEU N N 15 118.624 0.000 A 8 GLY H H 1 7.915 0.003 A 8 GLY HAx H 1 3.818 0.001 A 8 GLY HAy H 1 3.818 0.001 A 8 GLY CA C 13 46.719 0.000 A 8 GLY N N 15 106.362 0.000 A 9 PHE H H 1 7.970 0.002 A 9 PHE HA H 1 4.365 0.003 A 9 PHE HBx H 1 3.210 0.006 A 9 PHE HBy H 1 3.210 0.006 A 9 PHE HD1 H 1 7.142 0.002 A 9 PHE HD2 H 1 7.142 0.002 A 9 PHE CA C 13 60.841 0.000 A 9 PHE CB C 13 38.859 0.000 A 9 PHE N N 15 122.687 0.000 A 10 LEU H H 1 8.231 0.002 A 10 LEU HA H 1 3.937 0.002 A 10 LEU HBx H 1 1.490 0.007 A 10 LEU HBy H 1 1.767 0.005 A 10 LEU HDx% H 1 0.843 0.004 A 10 LEU HDy% H 1 0.843 0.004 A 10 LEU HG H 1 1.626 0.002 A 10 LEU CA C 13 58.048 0.000 A 10 LEU CB C 13 41.862 0.000 A 10 LEU CD1 C 13 22.419 0.000 A 10 LEU CD2 C 13 24.346 0.000 A 10 LEU CG C 13 26.735 0.000 A 10 LEU N N 15 120.323 0.000 A 11 GLY H H 1 8.203 0.002 A 11 GLY HAx H 1 3.817 0.001 A 11 GLY HAy H 1 3.817 0.001 A 11 GLY CA C 13 46.835 0.000 A 11 GLY N N 15 105.725 0.000 A 12 ALA H H 1 7.876 0.004 A 12 ALA HA H 1 4.176 0.005 A 12 ALA HB% H 1 1.475 0.003 A 12 ALA CA C 13 54.759 0.000 A 12 ALA CB C 13 18.118 0.000 A 12 ALA N N 15 124.765 0.000 A 13 ALA H H 1 8.311 0.003 A 13 ALA HA H 1 4.066 0.002 A 13 ALA HB% H 1 1.291 0.002 A 13 ALA CA C 13 54.679 0.000 A 13 ALA CB C 13 17.754 0.000 A 13 ALA N N 15 121.528 0.000 A 14 GLY H H 1 8.250 0.003 A 14 GLY HA2 H 1 3.869 0.002 A 14 GLY HA3 H 1 3.950 0.000 A 14 GLY N N 15 105.093 0.000 A 15 SER H H 1 7.866 0.002 A 15 SER HA H 1 4.378 0.005 A 15 SER HBx H 1 4.024 0.002 A 15 SER HBy H 1 4.024 0.002 A 15 SER CA C 13 59.864 0.000 A 15 SER CB C 13 63.841 0.000 A 15 SER N N 15 115.066 0.000 A 16 LYS H H 1 7.835 0.004 A 16 LYS HA H 1 4.338 0.001 A 16 LYS HBx H 1 1.928 0.006 A 16 LYS HBy H 1 1.928 0.006 A 16 LYS HDx H 1 1.731 0.000 A 16 LYS HDy H 1 1.731 0.000 A 16 LYS HGx H 1 1.478 0.000 A 16 LYS HGy H 1 1.525 0.000 A 16 LYS CA C 13 56.861 0.000 A 16 LYS CB C 13 32.407 0.000 A 16 LYS N N 15 121.334 0.000 A 17 LYS H H 1 7.918 0.004 A 17 LYS HA H 1 4.295 0.003 A 17 LYS HBx H 1 1.811 0.003 A 17 LYS HBy H 1 1.859 0.004 A 17 LYS HDx H 1 1.716 0.002 A 17 LYS HDy H 1 1.716 0.002 A 17 LYS HEx H 1 3.021 0.002 A 17 LYS HEy H 1 3.021 0.002 A 17 LYS HGx H 1 1.485 0.002 A 17 LYS HGy H 1 1.485 0.002 A 17 LYS CA C 13 56.652 0.000 A 17 LYS CB C 13 33.396 0.007 A 17 LYS CD C 13 28.925 0.000 A 17 LYS CE C 13 42.382 0.000 A 17 LYS N N 15 120.579 0.000 A 18 ACA H2x H 1 2.326 0.005 A 18 ACA H2y H 1 2.375 0.003 A 18 ACA H3x H 1 1.656 0.005 A 18 ACA H3y H 1 1.656 0.005 A 18 ACA H4x H 1 1.353 0.002 A 18 ACA H4y H 1 1.353 0.002 A 18 ACA H5x H 1 1.550 0.002 A 18 ACA H5y H 1 1.550 0.002 A 18 ACA H6x H 1 3.214 0.001 A 18 ACA H6y H 1 3.214 0.001 A 18 ACA HN61 H 1 7.525 0.002 A 18 ACA C2 C 13 38.103 0.004 A 18 ACA C3 C 13 27.300 0.000 A 18 ACA C4 C 13 28.527 0.000 A 18 ACA C5 C 13 30.832 0.000 A 18 ACA C6 C 13 42.193 0.000 A 18 ACA N6 N 15 120.640 0.000 A 19 LYS H H 1 8.061 0.003 A 19 LYS HA H 1 4.346 0.004 A 19 LYS HBx H 1 1.809 0.003 A 19 LYS HBy H 1 1.886 0.000 A 19 LYS HDx H 1 1.756 0.001 A 19 LYS HDy H 1 1.756 0.001 A 19 LYS HEx H 1 3.040 0.003 A 19 LYS HEy H 1 3.040 0.003 A 19 LYS HGx H 1 1.504 0.002 A 19 LYS HGy H 1 1.504 0.002 A 19 LYS CA C 13 56.962 0.000 A 19 LYS CB C 13 33.371 0.004 A 19 LYS CD C 13 29.129 0.000 A 19 LYS CE C 13 42.196 0.000 A 19 LYS CG C 13 24.746 0.000 A 19 LYS N N 15 124.142 0.000 A 20 ASN H H 1 8.109 0.002 A 20 ASN HA H 1 4.690 0.008 A 20 ASN HBx H 1 2.997 0.004 A 20 ASN HBy H 1 2.997 0.004 A 20 ASN HD2x H 1 6.744 0.003 A 20 ASN HD2y H 1 7.381 0.002 A 20 ASN CB C 13 39.142 0.000 A 20 ASN N N 15 115.796 0.000 A 20 ASN ND2 N 15 111.431 0.000 A 21 GLU H H 1 9.092 0.001 A 21 GLU HA H 1 4.060 0.003 A 21 GLU HBx H 1 2.133 0.002 A 21 GLU HBy H 1 2.133 0.002 A 21 GLU HGx H 1 2.422 0.009 A 21 GLU HGy H 1 2.465 0.004 A 21 GLU CA C 13 60.116 0.000 A 21 GLU CB C 13 28.882 0.000 A 21 GLU CG C 13 35.566 0.000 A 21 GLU N N 15 120.136 0.000 A 22 GLN H H 1 8.208 0.002 A 22 GLN HA H 1 4.062 0.002 A 22 GLN HBx H 1 2.195 0.005 A 22 GLN HBy H 1 2.195 0.005 A 22 GLN HE2x H 1 6.577 0.004 A 22 GLN HE2y H 1 7.200 0.004 A 22 GLN HGx H 1 2.464 0.003 A 22 GLN HGy H 1 2.464 0.003 A 22 GLN CA C 13 59.530 0.000 A 22 GLN CB C 13 28.099 0.000 A 22 GLN CG C 13 34.190 0.000 A 22 GLN N N 15 117.635 0.000 A 22 GLN NE2 N 15 109.572 0.015 A 23 GLU H H 1 8.092 0.003 A 23 GLU HA H 1 4.106 0.004 A 23 GLU HBx H 1 2.169 0.002 A 23 GLU HBy H 1 2.169 0.002 A 23 GLU HGx H 1 2.392 0.003 A 23 GLU HGy H 1 2.589 0.001 A 23 GLU CA C 13 59.516 0.000 A 23 GLU CB C 13 29.597 0.000 A 23 GLU CG C 13 36.000 0.000 A 23 GLU N N 15 118.345 0.000 A 24 LEU H H 1 7.763 0.003 A 24 LEU HA H 1 4.193 0.004 A 24 LEU HBx H 1 1.730 0.007 A 24 LEU HBy H 1 1.853 0.003 A 24 LEU HDx% H 1 0.938 0.007 A 24 LEU HDy% H 1 0.938 0.007 A 24 LEU HG H 1 1.747 0.006 A 24 LEU CA C 13 58.208 0.000 A 24 LEU CB C 13 41.854 0.007 A 24 LEU CD1 C 13 23.045 0.000 A 24 LEU CD2 C 13 23.997 0.000 A 24 LEU CG C 13 27.205 0.000 A 24 LEU N N 15 119.378 0.000 A 25 LEU H H 1 7.996 0.003 A 25 LEU HA H 1 4.183 0.002 A 25 LEU HBx H 1 1.657 0.003 A 25 LEU HBy H 1 1.956 0.004 A 25 LEU HDx% H 1 0.948 0.007 A 25 LEU HDy% H 1 0.948 0.007 A 25 LEU HG H 1 1.857 0.002 A 25 LEU CA C 13 58.167 0.000 A 25 LEU CB C 13 41.959 0.023 A 25 LEU CD1 C 13 22.877 0.000 A 25 LEU CD2 C 13 23.836 0.000 A 25 LEU CG C 13 27.157 0.000 A 25 LEU N N 15 118.838 0.000 A 26 GLU H H 1 7.924 0.002 A 26 GLU HA H 1 4.172 0.003 A 26 GLU HB2 H 1 2.222 0.005 A 26 GLU HB3 H 1 2.275 0.001 A 26 GLU HGx H 1 2.471 0.005 A 26 GLU HGy H 1 2.565 0.005 A 26 GLU CA C 13 59.142 0.000 A 26 GLU CB C 13 28.891 0.000 A 26 GLU CG C 13 34.953 0.008 A 27 LEU H H 1 8.191 0.003 A 27 LEU HA H 1 4.306 0.004 A 27 LEU HBx H 1 1.902 0.004 A 27 LEU HBy H 1 1.902 0.004 A 27 LEU HD1% H 1 0.947 0.002 A 27 LEU HD2% H 1 1.013 0.001 A 27 LEU HG H 1 1.863 0.002 A 27 LEU CA C 13 58.570 0.000 A 27 LEU CB C 13 41.962 0.000 A 27 LEU CD1 C 13 24.186 0.000 A 27 LEU CD2 C 13 23.807 0.000 A 27 LEU CG C 13 27.266 0.000 A 27 LEU N N 15 121.390 0.000 A 28 ASP H H 1 8.445 0.003 A 28 ASP HA H 1 4.485 0.006 A 28 ASP HBx H 1 2.874 0.003 A 28 ASP HBy H 1 2.947 0.003 A 28 ASP CA C 13 57.277 0.000 A 28 ASP CB C 13 40.508 0.001 A 28 ASP N N 15 117.638 0.000 A 29 LYS H H 1 8.138 0.001 A 29 LYS HA H 1 4.080 0.003 A 29 LYS HBx H 1 1.994 0.005 A 29 LYS HBy H 1 2.065 0.002 A 29 LYS HDx H 1 1.709 0.001 A 29 LYS HDy H 1 1.709 0.001 A 29 LYS HEy H 1 2.945 0.001 A 29 LYS HEx H 1 2.898 0.002 A 29 LYS HGx H 1 1.460 0.002 A 29 LYS HGy H 1 1.580 0.002 A 29 LYS CA C 13 59.479 0.000 A 29 LYS CB C 13 31.956 0.001 A 29 LYS CE C 13 42.302 0.004 A 29 LYS N N 15 120.594 0.000 A 30 TRP H H 1 8.354 0.002 A 30 TRP HA H 1 4.421 0.004 A 30 TRP HBx H 1 3.386 0.004 A 30 TRP HBy H 1 3.491 0.004 A 30 TRP HD1 H 1 7.161 0.002 A 30 TRP HE1 H 1 9.165 0.002 A 30 TRP HE3 H 1 7.680 0.001 A 30 TRP HH2 H 1 7.236 0.002 A 30 TRP HZ2 H 1 7.239 0.002 A 30 TRP HZ3 H 1 7.141 0.003 A 30 TRP CA C 13 60.747 0.000 A 30 TRP N N 15 121.368 0.000 A 30 TRP NE1 N 15 125.576 0.000 A 31 ALA H H 1 8.982 0.001 A 31 ALA HA H 1 3.840 0.004 A 31 ALA HB% H 1 1.554 0.002 A 31 ALA CA C 13 55.395 0.000 A 31 ALA CB C 13 17.768 0.000 A 31 ALA N N 15 120.409 0.000 A 32 SER H H 1 8.047 0.002 A 32 SER HA H 1 4.257 0.004 A 32 SER HBx H 1 4.010 0.003 A 32 SER HBy H 1 4.095 0.004 A 32 SER CA C 13 61.457 0.000 A 32 SER CB C 13 63.271 0.000 A 32 SER N N 15 112.884 0.000 A 33 LEU H H 1 7.787 0.002 A 33 LEU HA H 1 4.122 0.002 A 33 LEU HB2 H 1 1.288 0.003 A 33 LEU HB3 H 1 1.630 0.002 A 33 LEU HDx% H 1 0.754 0.001 A 33 LEU HDy% H 1 0.826 0.002 A 33 LEU HG H 1 1.597 0.004 A 33 LEU CA C 13 57.293 0.000 A 33 LEU CB C 13 41.944 0.003 A 33 LEU CD1 C 13 22.728 0.000 A 33 LEU CD2 C 13 24.312 0.000 A 33 LEU N N 15 123.421 0.000 A 34 TRP H H 1 7.784 0.002 A 34 TRP HA H 1 4.502 0.003 A 34 TRP HB2 H 1 2.927 0.003 A 34 TRP HB3 H 1 3.153 0.001 A 34 TRP HD1 H 1 6.765 0.001 A 34 TRP HE1 H 1 8.154 0.003 A 34 TRP HE3 H 1 7.530 0.001 A 34 TRP HH2 H 1 7.179 0.000 A 34 TRP HZ2 H 1 7.289 0.002 A 34 TRP HZ3 H 1 7.114 0.001 A 34 TRP CA C 13 58.072 0.000 A 34 TRP NE1 N 15 125.333 0.000 A 35 ASN H H 1 7.877 0.003 A 35 ASN HA H 1 4.672 0.005 A 35 ASN HBx H 1 2.697 0.002 A 35 ASN HBy H 1 2.762 0.003 A 35 ASN HD2x H 1 6.443 0.006 A 35 ASN HD2y H 1 7.408 0.003 A 35 ASN CB C 13 39.494 0.013 A 35 ASN N N 15 118.012 0.000 A 35 ASN ND2 N 15 110.898 0.021 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 31 ALA H A 31 ALA HB% 1.0 . 3.37 2 2 A 22 GLN H A 22 GLN HGx 1.0 . 4.85 3 2 A 22 GLN H A 22 GLN HGy 1.0 . 4.85 4 3 A 13 ALA H A 13 ALA HB% 1.0 . 3.29 5 4 A 4 ALA H A 4 ALA HB% 1.0 . 3.36 6 5 A 12 ALA H A 12 ALA HB% 1.0 . 3.48 7 6 A 5 LEU H A 5 LEU HBx 1.0 . 3.65 8 7 A 5 LEU H A 5 LEU HBy 1.0 . 3.65 9 8 A 24 LEU H A 24 LEU HBy 1.0 . 3.54 10 9 A 24 LEU H A 24 LEU HBx 1.0 . 3.54 11 10 A 33 LEU H A 33 LEU HB3 1.0 . 4.08 12 11 A 33 LEU HB3 A 34 TRP H 1.0 . 4.34 13 12 A 33 LEU H A 33 LEU HB2 1.0 . 2.40 14 13 A 10 LEU H A 10 LEU HBy 1.0 . 3.72 15 14 A 10 LEU H A 10 LEU HBx 1.0 . 3.72 16 15 A 22 GLN H A 22 GLN HBx 1.0 . 3.28 17 15 A 22 GLN H A 22 GLN HBy 1.0 . 3.28 18 16 A 25 LEU H A 25 LEU HBy 1.0 . 3.63 19 17 A 21 GLU H A 21 GLU HBx 1.0 . 3.43 20 17 A 21 GLU H A 21 GLU HBy 1.0 . 3.43 21 18 A 23 GLU H A 23 GLU HBx 1.0 . 2.91 22 18 A 23 GLU H A 23 GLU HBy 1.0 . 2.91 23 19 A 26 GLU H A 26 GLU HB3 1.0 . 3.88 24 20 A 2 ILE H A 2 ILE HG2% 1.0 . 3.93 25 21 A 19 LYS H A 19 LYS HGx 1.0 . 4.29 26 21 A 19 LYS H A 19 LYS HGy 1.0 . 4.29 27 22 A 29 LYS H A 29 LYS HBy 1.0 . 4.13 28 23 A 17 LYS H A 17 LYS HBx 1.0 . 4.08 29 24 A 17 LYS H A 17 LYS HGx 1.0 . 4.42 30 24 A 17 LYS H A 17 LYS HGy 1.0 . 4.42 31 25 A 16 LYS H A 16 LYS HDx 1.0 . 4.70 32 25 A 16 LYS H A 16 LYS HDy 1.0 . 4.70 33 26 A 16 LYS H A 16 LYS HGx 1.0 . 5.50 34 27 A 28 ASP H A 28 ASP HBx 1.0 . 3.76 35 28 A 28 ASP H A 28 ASP HBy 1.0 . 3.76 36 29 A 30 TRP H A 30 TRP HBx 1.0 . 3.94 37 30 A 30 TRP H A 30 TRP HBy 1.0 . 3.94 38 31 A 20 ASN H A 20 ASN HBx 1.0 . 4.00 39 31 A 20 ASN H A 20 ASN HBy 1.0 . 4.00 40 32 A 34 TRP H A 34 TRP HB2 1.0 . 3.87 41 33 A 34 TRP H A 34 TRP HB3 1.0 . 3.65 42 34 A 9 PHE H A 9 PHE HBx 1.0 . 3.18 43 34 A 9 PHE H A 9 PHE HBy 1.0 . 3.18 44 35 A 6 PHE H A 6 PHE HBx 1.0 . 3.49 45 35 A 6 PHE H A 6 PHE HBy 1.0 . 3.49 46 36 A 15 SER H A 15 SER HBx 1.0 . 3.54 47 36 A 15 SER H A 15 SER HBy 1.0 . 3.54 48 37 A 4 ALA H A 5 LEU H 1.0 . 3.83 49 38 A 34 TRP H A 34 TRP HD1 1.0 . 4.54 50 39 A 27 LEU H A 27 LEU HBx 1.0 . 3.16 51 39 A 27 LEU H A 27 LEU HBy 1.0 . 3.16 52 40 A 29 LYS H A 29 LYS HBx 1.0 . 4.13 53 41 A 20 ASN HD2y A 20 ASN HBx 1.0 . 4.13 54 41 A 20 ASN HBy A 20 ASN HD2y 1.0 . 4.13 55 42 A 19 LYS HA A 19 LYS HGx 1.0 . 3.19 56 42 A 19 LYS HGy A 19 LYS HA 1.0 . 3.19 57 43 A 25 LEU H A 24 LEU HDx% 1.0 . 4.24 58 43 A 25 LEU H A 24 LEU HDy% 1.0 . 4.24 59 44 A 25 LEU H A 25 LEU HDx% 1.0 . 4.44 60 44 A 25 LEU H A 25 LEU HDy% 1.0 . 4.44 61 45 A 24 LEU HA A 24 LEU HDx% 1.0 . 3.27 62 45 A 24 LEU HDy% A 24 LEU HA 1.0 . 3.27 63 46 A 26 GLU H A 26 GLU HB2 1.0 . 3.88 64 47 A 26 GLU H A 26 GLU HGx 1.0 . 4.54 65 48 A 26 GLU H A 26 GLU HGy 1.0 . 4.54 66 49 A 31 ALA H A 27 LEU HA 1.0 . 5.21 67 50 A 31 ALA H A 30 TRP HBy 1.0 . 4.46 68 51 A 31 ALA H A 30 TRP HBx 1.0 . 4.46 69 52 A 21 GLU H A 20 ASN HBx 1.0 . 3.76 70 52 A 21 GLU H A 20 ASN HBy 1.0 . 3.76 71 53 A 28 ASP H A 25 LEU HA 1.0 . 4.33 72 54 A 30 TRP H A 27 LEU HA 1.0 . 4.80 73 55 A 30 TRP H A 26 GLU HA 1.0 . 4.82 74 56 A 30 TRP H A 29 LYS HBx 1.0 . 4.34 75 57 A 30 TRP H A 29 LYS HBy 1.0 . 4.34 76 58 A 28 ASP H A 27 LEU HBx 1.0 . 3.80 77 58 A 28 ASP H A 27 LEU HBy 1.0 . 3.80 78 59 A 28 ASP H A 25 LEU HDx% 1.0 . 5.43 79 59 A 28 ASP H A 25 LEU HDy% 1.0 . 5.43 80 60 A 28 ASP H A 27 LEU HD1% 1.0 . 5.50 81 61 A 27 LEU H A 27 LEU HD1% 1.0 . 4.40 82 62 A 2 ILE HG2% A 3 GLY H 1.0 . 4.44 83 63 A 27 LEU H A 27 LEU HD2% 1.0 . 5.50 84 64 A 27 LEU HD2% A 30 TRP HE3 1.0 . 5.50 85 65 A 10 LEU H A 10 LEU HDx% 1.0 . 4.10 86 65 A 10 LEU H A 10 LEU HDy% 1.0 . 4.10 87 66 A 33 LEU H A 33 LEU HDx% 1.0 . 4.74 88 67 A 33 LEU H A 33 LEU HDy% 1.0 . 4.74 89 68 A 30 TRP HE3 A 33 LEU HDx% 1.0 . 5.33 90 69 A 30 TRP HE3 A 33 LEU HDy% 1.0 . 5.33 91 70 A 26 GLU H A 25 LEU HDx% 1.0 . 3.98 92 70 A 26 GLU H A 25 LEU HDy% 1.0 . 3.98 93 71 A 5 LEU H A 5 LEU HDx% 1.0 . 4.91 94 72 A 5 LEU H A 5 LEU HDy% 1.0 . 4.91 95 73 A 30 TRP HA A 30 TRP HD1 1.0 . 5.50 96 74 A 6 PHE HA A 6 PHE HD% 1.0 . 4.68 97 75 A 9 PHE HA A 9 PHE HD% 1.0 . 2.90 98 76 A 34 TRP HB3 A 34 TRP HE3 1.0 . 3.19 99 77 A 34 TRP HB2 A 35 ASN H 1.0 . 4.91 100 78 A 34 TRP HB3 A 35 ASN H 1.0 . 4.53 101 79 A 20 ASN HD2x A 20 ASN HBx 1.0 . 4.13 102 79 A 20 ASN HBy A 20 ASN HD2x 1.0 . 4.13 103 80 A 29 LYS H A 28 ASP HBx 1.0 . 4.59 104 81 A 29 LYS H A 28 ASP HBy 1.0 . 4.59 105 82 A 22 GLN H A 20 ASN HBx 1.0 . 4.30 106 82 A 22 GLN H A 20 ASN HBy 1.0 . 4.30 107 83 A 30 TRP HE3 A 30 TRP HA 1.0 . 4.35 108 84 A 34 TRP HE3 A 34 TRP HA 1.0 . 4.41 109 85 A 27 LEU HA A 30 TRP HE3 1.0 . 5.06 110 86 A 26 GLU H A 23 GLU HA 1.0 . 3.44 111 87 A 33 LEU H A 30 TRP HA 1.0 . 4.95 112 88 A 27 LEU H A 25 LEU HA 1.0 . 4.51 113 89 A 30 TRP H A 30 TRP HD1 1.0 . 5.22 114 90 A 6 PHE H A 6 PHE HD% 1.0 . 5.09 115 91 A 22 GLN H A 21 GLU H 1.0 . 4.04 116 92 A 31 ALA H A 29 LYS H 1.0 . 5.50 117 93 A 31 ALA H A 30 TRP H 1.0 . 4.06 118 94 A 21 GLU H A 20 ASN H 1.0 . 4.50 119 95 A 31 ALA H A 32 SER H 1.0 . 4.08 120 96 A 28 ASP H A 30 TRP H 1.0 . 4.86 121 97 A 28 ASP H A 27 LEU H 1.0 . 3.87 122 98 A 29 LYS H A 28 ASP H 1.0 . 3.90 123 99 A 29 LYS H A 30 TRP H 1.0 . 3.89 124 100 A 22 GLN H A 23 GLU H 1.0 . 3.55 125 101 A 13 ALA H A 12 ALA H 1.0 . 3.75 126 102 A 34 TRP HD1 A 31 ALA HA 1.0 . 4.86 127 103 A 4 ALA H A 3 GLY H 1.0 . 4.27 128 104 A 10 LEU H A 9 PHE H 1.0 . 3.75 129 105 A 12 ALA H A 11 GLY H 1.0 . 3.82 130 106 A 15 SER H A 14 GLY H 1.0 . 3.28 131 107 A 13 ALA HB% A 12 ALA H 1.0 . 4.60 132 108 A 13 ALA H A 12 ALA HB% 1.0 . 3.68 133 109 A 3 GLY H A 2 ILE HB 1.0 . 4.73 134 110 A 24 LEU H A 23 GLU HBx 1.0 . 3.74 135 110 A 24 LEU H A 23 GLU HBy 1.0 . 3.74 136 111 A 10 LEU H A 9 PHE HBx 1.0 . 3.80 137 111 A 10 LEU H A 9 PHE HBy 1.0 . 3.80 138 112 A 8 GLY H A 6 PHE HBx 1.0 . 5.22 139 112 A 6 PHE HBy A 8 GLY H 1.0 . 5.22 140 113 A 8 GLY H A 9 PHE HBx 1.0 . 5.50 141 113 A 9 PHE HBy A 8 GLY H 1.0 . 5.50 142 114 A 9 PHE H A 9 PHE HD% 1.0 . 4.88 143 115 A 26 GLU H A 27 LEU H 1.0 . 3.71 144 116 A 24 LEU H A 23 GLU H 1.0 . 3.66 145 117 A 33 LEU H A 32 SER H 1.0 . 3.77 146 118 A 22 GLN H A 24 LEU H 1.0 . 4.40 147 119 A 10 LEU H A 9 PHE HD% 1.0 . 4.60 148 120 A 33 LEU H A 31 ALA HA 1.0 . 4.64 149 121 A 34 TRP H A 31 ALA HA 1.0 . 4.84 150 122 A 31 ALA HB% A 30 TRP HE3 1.0 . 4.15 151 123 A 4 ALA HB% A 5 LEU H 1.0 . 3.95 152 124 A 13 ALA HB% A 14 GLY H 1.0 . 3.68 153 125 A 26 GLU H A 25 LEU HBx 1.0 . 5.50 154 126 A 10 LEU H A 10 LEU HG 1.0 . 3.80 155 127 A 6 PHE HD% A 10 LEU HDx% 1.0 . 4.10 156 127 A 10 LEU HDy% A 6 PHE HD% 1.0 . 4.10 157 128 A 27 LEU HD1% A 30 TRP HD1 1.0 . 5.50 158 129 A 27 LEU HD1% A 30 TRP HZ3 1.0 . 4.93 159 130 A 27 LEU HD2% A 30 TRP HD1 1.0 . 4.37 160 131 A 27 LEU HD2% A 30 TRP HZ3 1.0 . 5.50 161 132 A 27 LEU HD1% A 30 TRP HE3 1.0 . 3.34 162 133 A 22 GLN HA A 22 GLN HGx 1.0 . 3.57 163 133 A 22 GLN HGy A 22 GLN HA 1.0 . 3.57 164 134 A 24 LEU H A 24 LEU HDx% 1.0 . 3.90 165 134 A 24 LEU H A 24 LEU HDy% 1.0 . 3.90 166 135 A 33 LEU HB3 A 30 TRP HZ3 1.0 . 3.57 167 136 A 6 PHE HE% A 10 LEU HDx% 1.0 . 3.87 168 136 A 10 LEU HDy% A 6 PHE HE% 1.0 . 3.87 169 137 A 29 LYS H A 26 GLU HA 1.0 . 4.30 170 138 A 30 TRP HH2 A 34 TRP HE1 1.0 . 4.58 171 139 A 21 GLU HA A 24 LEU HBx 1.0 . 4.08 172 140 A 30 TRP H A 29 LYS HGy 1.0 . 5.30 173 141 A 25 LEU HBy A 26 GLU H 1.0 . 5.44 174 142 A 17 LYS H A 17 LYS HDx 1.0 . 3.88 175 142 A 17 LYS H A 17 LYS HDy 1.0 . 3.88 176 143 A 31 ALA HB% A 32 SER H 1.0 . 3.65 177 144 A 27 LEU HA A 27 LEU HD1% 1.0 . 4.18 178 145 A 27 LEU HA A 27 LEU HD2% 1.0 . 4.03 179 146 A 22 GLN HA A 25 LEU HDx% 1.0 . 3.16 180 146 A 25 LEU HDy% A 22 GLN HA 1.0 . 3.16 181 147 A 31 ALA H A 30 TRP HE3 1.0 . 4.76 182 148 A 30 TRP H A 29 LYS HGx 1.0 . 5.30 183 149 A 29 LYS H A 29 LYS HDx 1.0 . 4.68 184 149 A 29 LYS H A 29 LYS HDy 1.0 . 4.68 185 150 A 26 GLU H A 28 ASP H 1.0 . 4.09 186 151 A 27 LEU H A 26 GLU HB3 1.0 . 4.38 187 152 A 27 LEU H A 26 GLU HB2 1.0 . 4.38 188 153 A 27 LEU H A 27 LEU HG 1.0 . 5.50 189 154 A 28 ASP H A 25 LEU HG 1.0 . 4.41 190 155 A 34 TRP H A 35 ASN H 1.0 . 3.43 191 156 A 30 TRP HZ3 A 34 TRP HE1 1.0 . 4.99 192 157 A 22 GLN H A 21 GLU HBx 1.0 . 3.73 193 157 A 22 GLN H A 21 GLU HBy 1.0 . 3.73 194 158 A 21 GLU H A 21 GLU HGy 1.0 . 4.71 195 159 A 21 GLU H A 21 GLU HGx 1.0 . 4.71 196 160 A 23 GLU H A 22 GLN HGx 1.0 . 5.50 197 160 A 22 GLN HGy A 23 GLU H 1.0 . 5.50 198 161 A 25 LEU HA A 28 ASP HBx 1.0 . 4.08 199 162 A 25 LEU HA A 28 ASP HBy 1.0 . 4.08 200 163 A 33 LEU HB2 A 33 LEU HA 1.0 . 2.85 201 164 A 16 LYS H A 15 SER HBx 1.0 . 4.58 202 164 A 16 LYS H A 15 SER HBy 1.0 . 4.58 203 165 A 5 LEU H A 6 PHE H 1.0 . 3.72 204 166 A 17 LYS H A 13 ALA HA 1.0 . 5.50 205 167 A 26 GLU H A 22 GLN HA 1.0 . 5.50 206 168 A 6 PHE H A 7 LEU H 1.0 . 3.98 207 169 A 25 LEU HBy A 25 LEU HDx% 1.0 . 3.41 208 169 A 25 LEU HBy A 25 LEU HDy% 1.0 . 3.41 209 170 A 11 GLY H A 10 LEU HG 1.0 . 4.63 210 171 A 22 GLN HGy A 25 LEU HDx% 1.0 . 3.84 211 171 A 22 GLN HGx A 25 LEU HDx% 1.0 . 3.84 212 171 A 25 LEU HDy% A 22 GLN HGx 1.0 . 3.84 213 171 A 22 GLN HGy A 25 LEU HDy% 1.0 . 3.84 214 172 A 7 LEU HA A 7 LEU HDx% 1.0 . 3.28 215 172 A 7 LEU HA A 7 LEU HDy% 1.0 . 3.28 216 173 A 10 LEU HA A 10 LEU HDx% 1.0 . 3.64 217 173 A 10 LEU HDy% A 10 LEU HA 1.0 . 3.64 218 174 A 13 ALA H A 10 LEU HA 1.0 . 3.61 219 175 A 15 SER H A 14 GLY HA3 1.0 . 2.70 220 176 A 16 LYS H A 12 ALA HA 1.0 . 4.96 221 177 A 13 ALA H A 14 GLY H 1.0 . 3.43 222 178 A 24 LEU H A 25 LEU H 1.0 . 3.62 223 179 A 8 GLY H A 7 LEU H 1.0 . 3.24 224 180 A 25 LEU H A 26 GLU H 1.0 . 3.41 225 181 A 6 PHE H A 8 GLY H 1.0 . 4.49 226 182 A 24 LEU H A 26 GLU H 1.0 . 4.72 227 183 A 17 LYS H A 16 LYS H 1.0 . 3.33 228 184 A 16 LYS H A 13 ALA HA 1.0 . 5.50 229 185 A 25 LEU H A 22 GLN HA 1.0 . 4.32 230 186 A 6 PHE H A 4 ALA HA 1.0 . 5.25 231 187 A 33 LEU HB3 A 33 LEU HDx% 1.0 . 3.95 232 188 A 33 LEU HB3 A 33 LEU HDy% 1.0 . 3.95 233 189 A 10 LEU HDy% A 10 LEU HBy 1.0 . 3.38 234 189 A 10 LEU HBy A 10 LEU HDx% 1.0 . 3.38 235 190 A 10 LEU HDy% A 10 LEU HBx 1.0 . 3.38 236 190 A 10 LEU HBx A 10 LEU HDx% 1.0 . 3.38 237 191 A 33 LEU HB3 A 30 TRP HH2 1.0 . 5.20 238 192 A 33 LEU HB2 A 30 TRP HZ3 1.0 . 4.34 239 193 A 31 ALA HB% A 30 TRP HZ3 1.0 . 5.35 240 194 A 34 TRP HD1 A 34 TRP HA 1.0 . 3.95 241 195 A 12 ALA HB% A 11 GLY H 1.0 . 5.27 242 196 A 11 GLY H A 10 LEU HDx% 1.0 . 5.50 243 196 A 10 LEU HDy% A 11 GLY H 1.0 . 5.50 244 197 A 7 LEU H A 7 LEU HDx% 1.0 . 5.50 245 197 A 7 LEU H A 7 LEU HDy% 1.0 . 5.50 246 198 A 7 LEU HA A 10 LEU HDx% 1.0 . 4.32 247 198 A 10 LEU HDy% A 7 LEU HA 1.0 . 4.32 248 199 A 27 LEU HA A 30 TRP HBx 1.0 . 4.58 249 200 A 31 ALA HB% A 28 ASP HA 1.0 . 4.09 250 201 A 33 LEU HB2 A 30 TRP HA 1.0 . 4.12 251 202 A 13 ALA HB% A 10 LEU HA 1.0 . 3.66 252 203 A 34 TRP HB2 A 31 ALA HA 1.0 . 4.24 253 204 A 25 LEU HBy A 22 GLN HA 1.0 . 2.59 254 205 A 25 LEU HBx A 22 GLN HA 1.0 . 3.76 255 206 A 21 GLU HA A 24 LEU HBy 1.0 . 4.08 256 207 A 27 LEU HA A 30 TRP HBy 1.0 . 4.58 257 208 A 17 LYS H A 16 LYS HBx 1.0 . 2.40 258 208 A 17 LYS H A 16 LYS HBy 1.0 . 2.40 259 209 A 6 PHE HA A 6 PHE HBx 1.0 . 2.70 260 209 A 6 PHE HBy A 6 PHE HA 1.0 . 2.70 261 210 A 6 PHE HD% A 7 LEU H 1.0 . 5.50 262 211 A 34 TRP HD1 A 35 ASN H 1.0 . 5.50 263 212 A 24 LEU H A 21 GLU HA 1.0 . 5.50 264 213 A 24 LEU H A 23 GLU HA 1.0 . 3.57 265 214 A 31 ALA HA A 34 TRP HE1 1.0 . 5.21 266 215 A 20 ASN H A 19 LYS HBy 1.0 . 3.55 267 216 A 20 ASN H A 19 LYS HBx 1.0 . 3.55 268 217 A 16 LYS HA A 16 LYS HBx 1.0 . 2.40 269 217 A 16 LYS HBy A 16 LYS HA 1.0 . 2.40 270 218 A 17 LYS HA A 17 LYS HDx 1.0 . 3.39 271 218 A 17 LYS HDy A 17 LYS HA 1.0 . 3.39 272 219 A 17 LYS HA A 17 LYS HGx 1.0 . 4.03 273 219 A 17 LYS HGy A 17 LYS HA 1.0 . 4.03 274 220 A 16 LYS H A 16 LYS HGy 1.0 . 5.50 275 221 A 17 LYS H A 17 LYS HBy 1.0 . 4.08 276 222 A 2 ILE HB A 2 ILE HA 1.0 . 2.40 277 223 A 2 ILE H A 2 ILE HG1x 1.0 . 4.68 278 223 A 2 ILE H A 2 ILE HG1y 1.0 . 4.68 279 224 A 5 LEU H A 5 LEU HDy% 1.0 . 4.26 280 224 A 5 LEU H A 5 LEU HDx% 1.0 . 4.26 281 225 A 5 LEU HA A 5 LEU HDy% 1.0 . 2.72 282 225 A 5 LEU HDx% A 5 LEU HA 1.0 . 2.72 283 226 A 7 LEU H A 7 LEU HBx 1.0 . 2.77 284 226 A 7 LEU H A 7 LEU HBy 1.0 . 2.77 285 227 A 7 LEU HA A 10 LEU HBx 1.0 . 3.99 286 227 A 7 LEU HA A 10 LEU HBy 1.0 . 3.99 287 228 A 8 GLY H A 7 LEU HBx 1.0 . 3.58 288 228 A 8 GLY H A 7 LEU HBy 1.0 . 3.58 289 229 A 9 PHE HBy A 10 LEU HBx 1.0 . 4.27 290 229 A 9 PHE HBx A 10 LEU HBx 1.0 . 4.27 291 229 A 10 LEU HBy A 9 PHE HBx 1.0 . 4.27 292 229 A 9 PHE HBy A 10 LEU HBy 1.0 . 4.27 293 230 A 10 LEU HA A 10 LEU HBx 1.0 . 2.31 294 230 A 10 LEU HA A 10 LEU HBy 1.0 . 2.31 295 231 A 11 GLY H A 10 LEU HBx 1.0 . 3.82 296 231 A 11 GLY H A 10 LEU HBy 1.0 . 3.82 297 232 A 17 LYS H A 17 LYS HBy 1.0 . 3.56 298 232 A 17 LYS H A 17 LYS HBx 1.0 . 3.56 299 233 A 17 LYS HA A 17 LYS HBy 1.0 . 2.52 300 233 A 17 LYS HA A 17 LYS HBx 1.0 . 2.52 301 234 A 19 LYS H A 19 LYS HBy 1.0 . 3.43 302 234 A 19 LYS H A 19 LYS HBx 1.0 . 3.43 303 235 A 19 LYS HA A 19 LYS HBy 1.0 . 2.31 304 235 A 19 LYS HA A 19 LYS HBx 1.0 . 2.31 305 236 A 21 GLU H A 21 GLU HGy 1.0 . 3.98 306 236 A 21 GLU H A 21 GLU HGx 1.0 . 3.98 307 237 A 21 GLU HA A 21 GLU HGy 1.0 . 3.64 308 237 A 21 GLU HA A 21 GLU HGx 1.0 . 3.64 309 238 A 21 GLU HA A 24 LEU HBx 1.0 . 3.57 310 238 A 21 GLU HA A 24 LEU HBy 1.0 . 3.57 311 239 A 22 GLN H A 21 GLU HGy 1.0 . 4.58 312 239 A 22 GLN H A 21 GLU HGx 1.0 . 4.58 313 240 A 23 GLU H A 23 GLU HGx 1.0 . 2.95 314 240 A 23 GLU H A 23 GLU HGy 1.0 . 2.95 315 241 A 23 GLU HA A 23 GLU HGx 1.0 . 2.39 316 241 A 23 GLU HA A 23 GLU HGy 1.0 . 2.39 317 242 A 23 GLU HA A 26 GLU HB3 1.0 . 2.53 318 242 A 23 GLU HA A 26 GLU HB2 1.0 . 2.53 319 243 A 24 LEU H A 23 GLU HGx 1.0 . 5.34 320 243 A 24 LEU H A 23 GLU HGy 1.0 . 5.34 321 244 A 24 LEU H A 24 LEU HBx 1.0 . 3.01 322 244 A 24 LEU H A 24 LEU HBy 1.0 . 3.01 323 245 A 25 LEU HA A 28 ASP HBy 1.0 . 3.58 324 245 A 25 LEU HA A 28 ASP HBx 1.0 . 3.58 325 246 A 26 GLU H A 26 GLU HB3 1.0 . 3.37 326 246 A 26 GLU H A 26 GLU HB2 1.0 . 3.37 327 247 A 26 GLU H A 26 GLU HGy 1.0 . 3.90 328 247 A 26 GLU H A 26 GLU HGx 1.0 . 3.90 329 248 A 26 GLU HA A 26 GLU HB3 1.0 . 2.53 330 248 A 26 GLU HA A 26 GLU HB2 1.0 . 2.53 331 249 A 26 GLU HA A 26 GLU HGy 1.0 . 3.73 332 249 A 26 GLU HA A 26 GLU HGx 1.0 . 3.73 333 250 A 27 LEU H A 26 GLU HB3 1.0 . 3.80 334 250 A 27 LEU H A 26 GLU HB2 1.0 . 3.80 335 251 A 27 LEU HA A 30 TRP HBy 1.0 . 3.99 336 251 A 27 LEU HA A 30 TRP HBx 1.0 . 3.99 337 252 A 29 LYS H A 28 ASP HBy 1.0 . 3.87 338 252 A 29 LYS H A 28 ASP HBx 1.0 . 3.87 339 253 A 29 LYS H A 29 LYS HBy 1.0 . 3.57 340 253 A 29 LYS H A 29 LYS HBx 1.0 . 3.57 341 254 A 29 LYS H A 29 LYS HGy 1.0 . 3.93 342 254 A 29 LYS H A 29 LYS HGx 1.0 . 3.93 343 255 A 29 LYS HA A 29 LYS HBy 1.0 . 2.31 344 255 A 29 LYS HBx A 29 LYS HA 1.0 . 2.31 345 256 A 30 TRP H A 29 LYS HBy 1.0 . 3.75 346 256 A 30 TRP H A 29 LYS HBx 1.0 . 3.75 347 257 A 29 LYS HEx A 29 LYS HGy 1.0 . 3.30 348 257 A 29 LYS HEy A 29 LYS HGy 1.0 . 3.30 349 257 A 29 LYS HGx A 29 LYS HEy 1.0 . 3.30 350 257 A 29 LYS HGx A 29 LYS HEx 1.0 . 3.30 351 258 A 30 TRP H A 29 LYS HGy 1.0 . 4.61 352 258 A 30 TRP H A 29 LYS HGx 1.0 . 4.61 353 259 A 30 TRP H A 30 TRP HBy 1.0 . 3.45 354 259 A 30 TRP H A 30 TRP HBx 1.0 . 3.45 355 260 A 31 ALA H A 30 TRP HBy 1.0 . 3.90 356 260 A 31 ALA H A 30 TRP HBx 1.0 . 3.90 357 261 A 30 TRP HE3 A 33 LEU HDy% 1.0 . 4.49 358 261 A 30 TRP HE3 A 33 LEU HDx% 1.0 . 4.49 359 262 A 30 TRP HZ3 A 33 LEU HDy% 1.0 . 4.94 360 262 A 30 TRP HZ3 A 33 LEU HDx% 1.0 . 4.94 361 263 A 32 SER H A 32 SER HBx 1.0 . 3.59 362 263 A 32 SER H A 32 SER HBy 1.0 . 3.59 363 264 A 33 LEU H A 33 LEU HDy% 1.0 . 4.14 364 264 A 33 LEU H A 33 LEU HDx% 1.0 . 4.14 365 265 A 33 LEU HA A 33 LEU HDy% 1.0 . 3.69 366 265 A 33 LEU HA A 33 LEU HDx% 1.0 . 3.69 367 266 A 35 ASN H A 35 ASN HBx 1.0 . 3.56 368 266 A 35 ASN H A 35 ASN HBy 1.0 . 3.56 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 -135.7 -35.1 PHI 2 2 A 2 ILE C A 3 GLY N A 3 GLY CA A 3 GLY C 1.0 -105.7 -38.1 PHI 3 3 A 3 GLY N A 3 GLY CA A 3 GLY C A 4 ALA N 1.0 -70.2 18.0 PSI 4 4 A 3 GLY C A 4 ALA N A 4 ALA CA A 4 ALA C 1.0 -87.7 -44.5 PHI 5 5 A 4 ALA N A 4 ALA CA A 4 ALA C A 5 LEU N 1.0 -65.2 -4.6 PSI 6 6 A 4 ALA C A 5 LEU N A 5 LEU CA A 5 LEU C 1.0 -73.2 -47.5 PHI 7 7 A 5 LEU N A 5 LEU CA A 5 LEU C A 6 PHE N 1.0 -54.9 -28.6 PSI 8 8 A 5 LEU C A 6 PHE N A 6 PHE CA A 6 PHE C 1.0 -86.6 -44.5 PHI 9 9 A 6 PHE N A 6 PHE CA A 6 PHE C A 7 LEU N 1.0 -55.4 -31.3 PSI 10 10 A 6 PHE C A 7 LEU N A 7 LEU CA A 7 LEU C 1.0 -72.8 -51.8 PHI 11 11 A 7 LEU N A 7 LEU CA A 7 LEU C A 8 GLY N 1.0 -49.6 -29.6 PSI 12 12 A 7 LEU C A 8 GLY N A 8 GLY CA A 8 GLY C 1.0 -85.7 -48.1 PHI 13 13 A 8 GLY N A 8 GLY CA A 8 GLY C A 9 PHE N 1.0 -61.1 -22.1 PSI 14 14 A 8 GLY C A 9 PHE N A 9 PHE CA A 9 PHE C 1.0 -77.7 -47.7 PHI 15 15 A 9 PHE N A 9 PHE CA A 9 PHE C A 10 LEU N 1.0 -56.9 -26.7 PSI 16 16 A 9 PHE C A 10 LEU N A 10 LEU CA A 10 LEU C 1.0 -78.6 -53.1 PHI 17 17 A 10 LEU N A 10 LEU CA A 10 LEU C A 11 GLY N 1.0 -52.9 -23.1 PSI 18 18 A 10 LEU C A 11 GLY N A 11 GLY CA A 11 GLY C 1.0 -85.5 -47.9 PHI 19 19 A 11 GLY N A 11 GLY CA A 11 GLY C A 12 ALA N 1.0 -61.1 -19.8 PSI 20 20 A 11 GLY C A 12 ALA N A 12 ALA CA A 12 ALA C 1.0 -76.9 -52.2 PHI 21 21 A 12 ALA N A 12 ALA CA A 12 ALA C A 13 ALA N 1.0 -54.7 -32.6 PSI 22 22 A 12 ALA C A 13 ALA N A 13 ALA CA A 13 ALA C 1.0 -74.0 -54.0 PHI 23 23 A 13 ALA N A 13 ALA CA A 13 ALA C A 14 GLY N 1.0 -58.3 -23.3 PSI 24 24 A 13 ALA C A 14 GLY N A 14 GLY CA A 14 GLY C 1.0 -87.6 -48.5 PHI 25 25 A 14 GLY N A 14 GLY CA A 14 GLY C A 15 SER N 1.0 -61.1 -15.1 PSI 26 26 A 14 GLY C A 15 SER N A 15 SER CA A 15 SER C 1.0 -91.7 -47.9 PHI 27 27 A 15 SER N A 15 SER CA A 15 SER C A 16 LYS N 1.0 -66.8 -10.5 PSI 28 28 A 15 SER C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -84.4 -45.0 PHI 29 29 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 LYS N 1.0 -76.3 10.5 PSI 30 30 A 16 LYS C A 17 LYS N A 17 LYS CA A 17 LYS C 1.0 -111.1 -43.0 PHI 31 31 A 19 LYS C A 20 ASN N A 20 ASN CA A 20 ASN C 1.0 -188.1 -30.7 PHI 32 32 A 20 ASN C A 21 GLU N A 21 GLU CA A 21 GLU C 1.0 -74.9 -54.9 PHI 33 33 A 21 GLU N A 21 GLU CA A 21 GLU C A 22 GLN N 1.0 -55.6 -26.5 PSI 34 34 A 21 GLU C A 22 GLN N A 22 GLN CA A 22 GLN C 1.0 -71.7 -50.6 PHI 35 35 A 22 GLN N A 22 GLN CA A 22 GLN C A 23 GLU N 1.0 -55.3 -31.1 PSI 36 36 A 22 GLN C A 23 GLU N A 23 GLU CA A 23 GLU C 1.0 -73.9 -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 -30.5 PSI 38 38 A 23 GLU C A 24 LEU N A 24 LEU CA A 24 LEU C 1.0 -75.7 -53.3 PHI 39 39 A 24 LEU N A 24 LEU CA A 24 LEU C A 25 LEU N 1.0 -50.3 -30.3 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 -72.4 -52.4 PHI 45 45 A 27 LEU N A 27 LEU CA A 27 LEU C A 28 ASP N 1.0 -51.0 -31.0 PSI 46 46 A 27 LEU C A 28 ASP N A 28 ASP CA A 28 ASP C 1.0 -78.9 -56.0 PHI 47 47 A 28 ASP N A 28 ASP CA A 28 ASP C A 29 LYS N 1.0 -58.6 -15.3 PSI 48 48 A 28 ASP C A 29 LYS N A 29 LYS CA A 29 LYS C 1.0 -74.8 -54.8 PHI 49 49 A 29 LYS N A 29 LYS CA A 29 LYS C A 30 TRP N 1.0 -49.2 -29.2 PSI 50 50 A 29 LYS C A 30 TRP N A 30 TRP CA A 30 TRP C 1.0 -74.6 -51.7 PHI 51 51 A 30 TRP N A 30 TRP CA A 30 TRP C A 31 ALA N 1.0 -64.7 -18.1 PSI 52 52 A 30 TRP C A 31 ALA N A 31 ALA CA A 31 ALA C 1.0 -71.4 -50.4 PHI 53 53 A 31 ALA N A 31 ALA CA A 31 ALA C A 32 SER N 1.0 -48.5 -28.5 PSI 54 54 A 31 ALA C A 32 SER N A 32 SER CA A 32 SER C 1.0 -75.0 -52.6 PHI 55 55 A 32 SER N A 32 SER CA A 32 SER C A 33 LEU N 1.0 -52.5 -32.5 PSI 56 56 A 32 SER C A 33 LEU N A 33 LEU CA A 33 LEU C 1.0 -75.1 -52.8 PHI 57 57 A 33 LEU N A 33 LEU CA A 33 LEU C A 34 TRP N 1.0 -52.4 -18.6 PSI 58 58 A 33 LEU C A 34 TRP N A 34 TRP CA A 34 TRP C 1.0 -106.3 -48.8 PHI 59 59 A 34 TRP N A 34 TRP CA A 34 TRP C A 35 ASN N 1.0 -68.8 28.9 PSI stop_ save_