data_nef_c18865_2m1j save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 1Z65 PDB 1SKH stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly 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 MET start . . 2 A 2 ARG middle . . 3 A 3 LYS middle . . 4 A 4 HIS middle . . 5 A 5 LEU middle . . 6 A 6 GLY middle . false 7 A 7 GLY middle . false 8 A 8 CYS middle . . 9 A 9 TRP middle . . 10 A 10 LEU middle . . 11 A 11 ALA middle . . 12 A 12 ILE middle . . 13 A 13 VAL middle . . 14 A 14 CYS middle . . 15 A 15 VAL middle . . 16 A 16 LEU middle . . 17 A 17 LEU middle . . 18 A 18 PHE middle . . 19 A 19 SER middle . . 20 A 20 GLN middle . . 21 A 21 LEU middle . . 22 A 22 SER middle . . 23 A 23 SER middle . . 24 A 24 VAL middle . . 25 A 25 LYS middle . . 26 A 26 ALA middle . . 27 A 27 ARG middle . . 28 A 28 GLY middle . false 29 A 29 ILE middle . . 30 A 30 LYS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET HA H 1 4.275 0.020 A 1 MET HB2 H 1 2.298 0.020 A 1 MET HB3 H 1 2.298 0.020 A 1 MET HG2 H 1 2.723 0.020 A 1 MET HG3 H 1 2.723 0.020 A 2 ARG H H 1 8.772 0.020 A 2 ARG HA H 1 4.502 0.020 A 2 ARG HB2 H 1 1.877 0.020 A 2 ARG HB3 H 1 1.939 0.020 A 2 ARG HD2 H 1 3.329 0.020 A 2 ARG HD3 H 1 3.329 0.020 A 2 ARG HE H 1 7.374 0.020 A 2 ARG HG2 H 1 1.767 0.020 A 2 ARG HG3 H 1 1.767 0.020 A 3 LYS H H 1 8.381 0.020 A 3 LYS HA H 1 4.376 0.020 A 3 LYS HB2 H 1 1.798 0.020 A 3 LYS HB3 H 1 1.798 0.020 A 3 LYS HD2 H 1 1.548 0.020 A 3 LYS HD3 H 1 1.548 0.020 A 3 LYS HE2 H 1 3.095 0.020 A 3 LYS HE3 H 1 3.095 0.020 A 3 LYS HG2 H 1 1.485 0.020 A 3 LYS HG3 H 1 1.485 0.020 A 4 HIS H H 1 8.521 0.020 A 4 HIS HA H 1 4.861 0.020 A 4 HIS HB2 H 1 3.297 0.020 A 4 HIS HB3 H 1 3.385 0.020 A 4 HIS HD2 H 1 7.411 0.020 A 4 HIS HE2 H 1 8.756 0.020 A 5 LEU H H 1 8.459 0.020 A 5 LEU HA H 1 4.502 0.020 A 5 LEU HB2 H 1 1.736 0.020 A 5 LEU HB3 H 1 1.736 0.020 A 5 LEU HD1% H 1 0.923 0.020 A 5 LEU HD2% H 1 0.877 0.020 A 5 LEU HG H 1 1.659 0.020 A 6 GLY H H 1 8.393 0.020 A 6 GLY HA2 H 1 4.156 0.020 A 6 GLY HA3 H 1 4.251 0.020 A 7 GLY H H 1 8.631 0.020 A 7 GLY HA2 H 1 4.017 0.020 A 7 GLY HA3 H 1 4.173 0.020 A 8 CYS H H 1 8.819 0.020 A 8 CYS HA H 1 4.518 0.020 A 8 CYS HB2 H 1 2.985 0.020 A 8 CYS HB3 H 1 3.048 0.020 A 9 TRP H H 1 8.130 0.020 A 9 TRP HA H 1 4.440 0.020 A 9 TRP HB2 H 1 3.376 0.020 A 9 TRP HB3 H 1 3.423 0.020 A 9 TRP HD1 H 1 7.506 0.020 A 9 TRP HE1 H 1 10.243 0.020 A 9 TRP HE3 H 1 7.115 0.020 A 9 TRP HH2 H 1 6.957 0.020 A 9 TRP HZ2 H 1 7.111 0.020 A 9 TRP HZ3 H 1 7.504 0.020 A 10 LEU H H 1 7.752 0.020 A 10 LEU HA H 1 4.017 0.020 A 10 LEU HB2 H 1 1.640 0.020 A 10 LEU HB3 H 1 1.767 0.020 A 10 LEU HD1% H 1 0.981 0.020 A 10 LEU HG H 1 1.559 0.020 A 11 ALA H H 1 7.864 0.020 A 11 ALA HA H 1 3.970 0.020 A 11 ALA HB% H 1 1.465 0.020 A 12 ILE H H 1 7.995 0.020 A 12 ILE HA H 1 3.642 0.020 A 12 ILE HB H 1 2.166 0.020 A 12 ILE HD1% H 1 0.730 0.020 A 12 ILE HG12 H 1 1.783 0.020 A 12 ILE HG13 H 1 1.088 0.020 A 12 ILE HG2% H 1 0.985 0.020 A 13 VAL H H 1 8.256 0.020 A 13 VAL HA H 1 3.623 0.020 A 13 VAL HB H 1 2.356 0.020 A 13 VAL HG1% H 1 1.017 0.020 A 13 VAL HG2% H 1 1.095 0.020 A 14 CYS H H 1 8.302 0.020 A 14 CYS HA H 1 4.080 0.020 A 14 CYS HB2 H 1 2.594 0.020 A 14 CYS HB3 H 1 2.673 0.020 A 14 CYS HG H 1 3.238 0.020 A 15 VAL H H 1 8.239 0.020 A 15 VAL HA H 1 3.767 0.020 A 15 VAL HB H 1 2.359 0.020 A 15 VAL HG1% H 1 1.174 0.020 A 15 VAL HG2% H 1 1.064 0.020 A 16 LEU H H 1 8.379 0.020 A 16 LEU HA H 1 4.173 0.020 A 16 LEU HB2 H 1 1.971 0.020 A 16 LEU HB3 H 1 2.049 0.020 A 16 LEU HD1% H 1 0.970 0.020 A 16 LEU HG H 1 1.669 0.020 A 17 LEU H H 1 8.568 0.020 A 17 LEU HA H 1 4.157 0.020 A 17 LEU HB2 H 1 1.880 0.020 A 17 LEU HB3 H 1 1.880 0.020 A 17 LEU HD1% H 1 0.923 0.020 A 17 LEU HD2% H 1 0.890 0.020 A 17 LEU HG H 1 1.605 0.020 A 18 PHE H H 1 8.632 0.020 A 18 PHE HA H 1 4.361 0.020 A 18 PHE HB2 H 1 3.313 0.020 A 18 PHE HB3 H 1 3.313 0.020 A 18 PHE HD1 H 1 7.302 0.020 A 18 PHE HD2 H 1 7.302 0.020 A 18 PHE HE1 H 1 7.255 0.020 A 18 PHE HE2 H 1 7.255 0.020 A 18 PHE HZ H 1 6.998 0.020 A 19 SER H H 1 8.427 0.020 A 19 SER HA H 1 4.298 0.020 A 19 SER HB2 H 1 4.079 0.020 A 19 SER HB3 H 1 4.173 0.020 A 20 GLN H H 1 7.974 0.020 A 20 GLN HA H 1 4.407 0.020 A 20 GLN HB2 H 1 2.249 0.020 A 20 GLN HB3 H 1 2.370 0.020 A 20 GLN HE21 H 1 6.876 0.020 A 20 GLN HE22 H 1 7.342 0.020 A 20 GLN HG2 H 1 2.459 0.020 A 20 GLN HG3 H 1 2.605 0.020 A 21 LEU H H 1 8.125 0.020 A 21 LEU HA H 1 4.297 0.020 A 21 LEU HB2 H 1 1.908 0.020 A 21 LEU HB3 H 1 1.965 0.020 A 21 LEU HD2% H 1 0.969 0.020 A 21 LEU HG H 1 1.695 0.020 A 22 SER H H 1 8.130 0.020 A 22 SER HA H 1 4.340 0.020 A 22 SER HB2 H 1 3.930 0.020 A 22 SER HB3 H 1 4.024 0.020 A 23 SER H H 1 7.952 0.020 A 23 SER HA H 1 4.533 0.020 A 23 SER HB2 H 1 4.080 0.020 A 23 SER HB3 H 1 4.111 0.020 A 24 VAL H H 1 7.849 0.020 A 24 VAL HA H 1 4.079 0.020 A 24 VAL HB H 1 2.314 0.020 A 24 VAL HG1% H 1 1.127 0.020 A 24 VAL HG2% H 1 1.066 0.020 A 25 LYS H H 1 8.115 0.020 A 25 LYS HA H 1 4.345 0.020 A 25 LYS HB2 H 1 1.922 0.020 A 25 LYS HB3 H 1 2.000 0.020 A 25 LYS HD3 H 1 1.810 0.020 A 25 LYS HE2 H 1 3.127 0.020 A 25 LYS HE3 H 1 3.127 0.020 A 25 LYS HG2 H 1 1.565 0.020 A 25 LYS HG3 H 1 1.611 0.020 A 25 LYS HZ1 H 1 7.608 0.020 A 25 LYS HZ2 H 1 7.608 0.020 A 25 LYS HZ3 H 1 7.608 0.020 A 26 ALA H H 1 8.052 0.020 A 26 ALA HA H 1 4.407 0.020 A 26 ALA HB% H 1 1.563 0.020 A 27 ARG H H 1 8.053 0.020 A 27 ARG HA H 1 4.438 0.020 A 27 ARG HB2 H 1 1.862 0.020 A 27 ARG HB3 H 1 1.814 0.020 A 27 ARG HD2 H 1 3.344 0.020 A 27 ARG HD3 H 1 3.344 0.020 A 27 ARG HE H 1 7.334 0.020 A 27 ARG HG2 H 1 1.956 0.020 A 27 ARG HG3 H 1 2.049 0.020 A 28 GLY H H 1 8.255 0.020 A 28 GLY HA2 H 1 4.079 0.020 A 28 GLY HA3 H 1 4.437 0.020 A 29 ILE H H 1 7.863 0.020 A 29 ILE HA H 1 4.316 0.020 A 29 ILE HB H 1 2.000 0.020 A 29 ILE HD1% H 1 0.985 0.020 A 29 ILE HG12 H 1 1.595 0.020 A 29 ILE HG13 H 1 1.297 0.020 A 29 ILE HG2% H 1 1.048 0.020 A 30 LYS H H 1 8.298 0.020 A 30 LYS HA H 1 4.454 0.020 A 30 LYS HB2 H 1 1.904 0.020 A 30 LYS HB3 H 1 1.999 0.020 A 30 LYS HD2 H 1 1.810 0.020 A 30 LYS HD3 H 1 1.810 0.020 A 30 LYS HE2 H 1 3.130 0.020 A 30 LYS HE3 H 1 3.130 0.020 A 30 LYS HG2 H 1 1.544 0.020 A 30 LYS HG3 H 1 1.590 0.020 A 30 LYS HZ1 H 1 7.611 0.020 A 30 LYS HZ2 H 1 7.611 0.020 A 30 LYS HZ3 H 1 7.611 0.020 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 4 HIS HD2 A 9 TRP HE1 1.0 . 5.50 2 2 A 7 GLY H A 8 CYS H 1.0 . 4.44 3 3 A 18 PHE H A 19 SER H 1.0 . 3.66 4 4 A 18 PHE H A 20 GLN H 1.0 . 5.27 5 5 A 18 PHE H A 18 PHE HD% 1.0 . 4.41 6 6 A 18 PHE H A 17 LEU HD1% 1.0 . 5.10 7 6 A 18 PHE H A 17 LEU HD2% 1.0 . 5.10 8 7 A 16 LEU H A 17 LEU H 1.0 . 3.80 9 8 A 18 PHE HD% A 17 LEU H 1.0 . 5.50 10 9 A 17 LEU H A 16 LEU HB2 1.0 . 4.69 11 10 A 4 HIS HD2 A 4 HIS H 1.0 . 5.50 12 11 A 19 SER H A 19 SER HB2 1.0 . 4.13 13 12 A 19 SER H A 18 PHE HD% 1.0 . 5.15 14 13 A 19 SER H A 15 VAL HG2% 1.0 . 5.02 15 14 A 6 GLY H A 7 GLY HA2 1.0 . 4.56 16 15 A 6 GLY H A 9 TRP HD1 1.0 . 5.13 17 16 A 2 ARG H A 3 LYS H 1.0 . 5.18 18 17 A 16 LEU H A 13 VAL HA 1.0 . 4.29 19 18 A 16 LEU H A 15 VAL HB 1.0 . 4.12 20 19 A 16 LEU H A 17 LEU HB2 1.0 . 4.41 21 19 A 16 LEU H A 17 LEU HB3 1.0 . 4.41 22 20 A 3 LYS H A 3 LYS HG2 1.0 . 5.09 23 20 A 3 LYS H A 3 LYS HG3 1.0 . 5.09 24 21 A 16 LEU H A 15 VAL HG1% 1.0 . 4.61 25 22 A 16 LEU H A 16 LEU HD1% 1.0 . 4.44 26 23 A 14 CYS H A 14 CYS HB2 1.0 . 3.60 27 24 A 30 LYS H A 30 LYS HB3 1.0 . 4.18 28 25 A 30 LYS H A 30 LYS HG2 1.0 . 4.81 29 25 A 30 LYS H A 30 LYS HG3 1.0 . 4.81 30 26 A 15 VAL HG1% A 14 CYS H 1.0 . 4.70 31 27 A 14 CYS H A 13 VAL HG2% 1.0 . 4.27 32 28 A 30 LYS H A 29 ILE HG2% 1.0 . 4.21 33 29 A 13 VAL H A 14 CYS HG 1.0 . 4.12 34 30 A 13 VAL HG2% A 13 VAL H 1.0 . 3.86 35 31 A 16 LEU H A 15 VAL H 1.0 . 3.85 36 32 A 14 CYS HB2 A 15 VAL H 1.0 . 4.34 37 33 A 15 VAL HG1% A 15 VAL H 1.0 . 3.69 38 34 A 8 CYS H A 9 TRP H 1.0 . 4.33 39 35 A 7 GLY H A 9 TRP H 1.0 . 5.40 40 36 A 20 GLN H A 21 LEU H 1.0 . 3.29 41 37 A 9 TRP HD1 A 9 TRP H 1.0 . 4.05 42 38 A 18 PHE HD% A 22 SER H 1.0 . 5.47 43 39 A 22 SER H A 22 SER HB2 1.0 . 3.53 44 40 A 21 LEU H A 20 GLN HB3 1.0 . 3.40 45 41 A 21 LEU H A 20 GLN HB2 1.0 . 4.09 46 42 A 25 LYS H A 25 LYS HD3 1.0 . 4.63 47 43 A 27 ARG H A 28 GLY H 1.0 . 3.43 48 44 A 27 ARG H A 27 ARG HG3 1.0 . 4.02 49 45 A 27 ARG H A 27 ARG HB3 1.0 . 4.17 50 46 A 24 VAL H A 26 ALA H 1.0 . 4.64 51 47 A 27 ARG H A 26 ALA HB% 1.0 . 2.94 52 48 A 13 VAL H A 12 ILE H 1.0 . 4.40 53 49 A 12 ILE H A 11 ALA HB% 1.0 . 4.63 54 50 A 12 ILE H A 12 ILE HG2% 1.0 . 4.77 55 51 A 12 ILE H A 12 ILE HD1% 1.0 . 5.15 56 52 A 19 SER H A 20 GLN H 1.0 . 3.70 57 53 A 20 GLN H A 18 PHE HD% 1.0 . 5.03 58 54 A 20 GLN H A 20 GLN HG2 1.0 . 4.03 59 55 A 22 SER HB2 A 23 SER H 1.0 . 4.28 60 56 A 10 LEU H A 11 ALA H 1.0 . 4.11 61 57 A 29 ILE HG2% A 29 ILE H 1.0 . 4.97 62 58 A 25 LYS H A 24 VAL H 1.0 . 3.22 63 59 A 24 VAL H A 23 SER H 1.0 . 3.48 64 60 A 24 VAL H A 24 VAL HG2% 1.0 . 4.01 65 61 A 10 LEU H A 9 TRP HB3 1.0 . 3.80 66 62 A 9 TRP H A 10 LEU H 1.0 . 4.60 67 63 A 9 TRP HD1 A 10 LEU H 1.0 . 5.50 68 64 A 9 TRP HD1 A 9 TRP HA 1.0 . 4.85 69 65 A 4 HIS HD2 A 9 TRP HZ3 1.0 . 4.29 70 66 A 4 HIS HD2 A 9 TRP HH2 1.0 . 5.50 71 67 A 2 ARG HE A 2 ARG HD2 1.0 . 2.40 72 67 A 2 ARG HD3 A 2 ARG HE 1.0 . 2.40 73 68 A 2 ARG HE A 2 ARG HA 1.0 . 5.25 74 69 A 29 ILE H A 20 GLN HE22 1.0 . 5.50 75 70 A 20 GLN HE22 A 29 ILE HG12 1.0 . 3.97 76 71 A 18 PHE HD% A 17 LEU HB2 1.0 . 5.21 77 71 A 18 PHE HD% A 17 LEU HB3 1.0 . 5.21 78 72 A 18 PHE HD% A 18 PHE HA 1.0 . 3.62 79 73 A 15 VAL HG1% A 18 PHE HZ 1.0 . 5.50 80 74 A 13 VAL H A 9 TRP HH2 1.0 . 5.50 81 75 A 13 VAL HG2% A 9 TRP HH2 1.0 . 5.17 82 76 A 29 ILE HG2% A 20 GLN HE21 1.0 . 3.66 83 77 A 4 HIS HA A 3 LYS HB2 1.0 . 5.50 84 77 A 3 LYS HB3 A 4 HIS HA 1.0 . 5.50 85 78 A 4 HIS HA A 5 LEU H 1.0 . 3.06 86 79 A 4 HIS HD2 A 4 HIS HA 1.0 . 5.07 87 80 A 4 HIS HA A 5 LEU HB2 1.0 . 4.77 88 80 A 4 HIS HA A 5 LEU HB3 1.0 . 4.77 89 81 A 4 HIS HA A 5 LEU HG 1.0 . 5.50 90 82 A 26 ALA H A 23 SER HA 1.0 . 4.06 91 83 A 24 VAL H A 23 SER HA 1.0 . 3.43 92 84 A 26 ALA HB% A 23 SER HA 1.0 . 3.84 93 85 A 11 ALA HB% A 8 CYS HA 1.0 . 4.43 94 86 A 3 LYS H A 2 ARG HA 1.0 . 2.86 95 87 A 5 LEU HG A 5 LEU HA 1.0 . 4.15 96 88 A 5 LEU HA A 5 LEU HD1% 1.0 . 4.50 97 89 A 5 LEU HA A 5 LEU HD2% 1.0 . 3.83 98 90 A 27 ARG HA A 27 ARG HE 1.0 . 5.50 99 91 A 30 LYS HA A 30 LYS HG2 1.0 . 4.14 100 91 A 30 LYS HG3 A 30 LYS HA 1.0 . 4.14 101 92 A 4 HIS HD2 A 9 TRP HA 1.0 . 5.50 102 93 A 9 TRP HA A 12 ILE HB 1.0 . 4.37 103 94 A 27 ARG HG3 A 27 ARG HA 1.0 . 3.83 104 95 A 27 ARG HA A 27 ARG HG2 1.0 . 3.77 105 96 A 9 TRP HA A 5 LEU HD1% 1.0 . 5.46 106 97 A 20 GLN HE21 A 20 GLN HA 1.0 . 5.50 107 98 A 20 GLN HA A 20 GLN HG3 1.0 . 3.98 108 99 A 20 GLN HG2 A 20 GLN HA 1.0 . 3.93 109 100 A 20 GLN HA A 29 ILE HD1% 1.0 . 4.38 110 101 A 20 GLN HE22 A 20 GLN HA 1.0 . 5.16 111 102 A 5 LEU HD2% A 3 LYS HA 1.0 . 5.50 112 103 A 4 HIS H A 3 LYS HA 1.0 . 3.17 113 104 A 18 PHE HA A 21 LEU HD2% 1.0 . 4.05 114 105 A 18 PHE HA A 17 LEU HD1% 1.0 . 5.19 115 105 A 17 LEU HD2% A 18 PHE HA 1.0 . 5.19 116 106 A 25 LYS H A 25 LYS HA 1.0 . 2.86 117 107 A 26 ALA H A 25 LYS HA 1.0 . 3.15 118 108 A 25 LYS HA A 25 LYS HE2 1.0 . 5.50 119 108 A 25 LYS HA A 25 LYS HE3 1.0 . 5.50 120 109 A 30 LYS H A 29 ILE HA 1.0 . 3.17 121 110 A 29 ILE HG2% A 29 ILE HA 1.0 . 3.94 122 111 A 18 PHE HD% A 19 SER HA 1.0 . 4.53 123 112 A 21 LEU HA A 21 LEU HG 1.0 . 3.75 124 113 A 21 LEU HA A 24 VAL HG1% 1.0 . 4.28 125 114 A 2 ARG H A 1 MET HA 1.0 . 3.37 126 115 A 20 GLN HB3 A 21 LEU HA 1.0 . 5.15 127 116 A 9 TRP HD1 A 6 GLY HA3 1.0 . 5.46 128 117 A 5 LEU HD1% A 6 GLY HA3 1.0 . 5.50 129 118 A 29 ILE HA A 19 SER HB3 1.0 . 2.50 130 119 A 20 GLN HE22 A 19 SER HB3 1.0 . 5.42 131 120 A 20 GLN HE21 A 16 LEU HA 1.0 . 5.50 132 121 A 19 SER HA A 19 SER HB3 1.0 . 2.65 133 122 A 20 GLN HG3 A 17 LEU HA 1.0 . 4.70 134 123 A 20 GLN HG2 A 16 LEU HA 1.0 . 4.53 135 124 A 16 LEU HA A 16 LEU HG 1.0 . 3.55 136 125 A 15 VAL HG1% A 16 LEU HA 1.0 . 5.11 137 126 A 16 LEU HD1% A 16 LEU HA 1.0 . 3.09 138 127 A 9 TRP H A 7 GLY HA3 1.0 . 4.36 139 128 A 20 GLN HB2 A 17 LEU HA 1.0 . 4.21 140 129 A 9 TRP HD1 A 6 GLY HA2 1.0 . 4.86 141 130 A 29 ILE HG12 A 23 SER HB3 1.0 . 4.86 142 131 A 29 ILE HG2% A 23 SER HB3 1.0 . 5.23 143 132 A 23 SER H A 23 SER HB3 1.0 . 3.53 144 133 A 18 PHE H A 19 SER HB2 1.0 . 4.27 145 134 A 17 LEU H A 14 CYS HA 1.0 . 4.15 146 135 A 16 LEU H A 14 CYS HA 1.0 . 4.43 147 136 A 28 GLY H A 28 GLY HA2 1.0 . 2.77 148 137 A 25 LYS H A 24 VAL HA 1.0 . 3.57 149 138 A 26 ALA H A 24 VAL HA 1.0 . 3.96 150 139 A 23 SER H A 23 SER HB2 1.0 . 3.57 151 140 A 24 VAL H A 24 VAL HA 1.0 . 2.92 152 141 A 18 PHE HD% A 14 CYS HA 1.0 . 4.77 153 142 A 22 SER HB2 A 28 GLY HA2 1.0 . 3.01 154 143 A 14 CYS HA A 17 LEU HB2 1.0 . 3.82 155 143 A 17 LEU HB3 A 14 CYS HA 1.0 . 3.82 156 144 A 14 CYS HA A 17 LEU HG 1.0 . 3.98 157 145 A 29 ILE HG12 A 23 SER HB2 1.0 . 4.03 158 146 A 24 VAL HG2% A 24 VAL HA 1.0 . 3.37 159 147 A 14 CYS H A 10 LEU HA 1.0 . 4.40 160 148 A 13 VAL H A 10 LEU HA 1.0 . 4.26 161 149 A 22 SER H A 22 SER HB3 1.0 . 3.53 162 150 A 12 ILE H A 10 LEU HA 1.0 . 4.38 163 151 A 23 SER H A 22 SER HB3 1.0 . 4.36 164 152 A 9 TRP HD1 A 10 LEU HA 1.0 . 4.38 165 153 A 18 PHE HD% A 22 SER HB3 1.0 . 5.50 166 154 A 10 LEU HA A 10 LEU HG 1.0 . 3.57 167 155 A 21 LEU HD2% A 22 SER HB3 1.0 . 3.39 168 156 A 14 CYS HB2 A 11 ALA HA 1.0 . 4.58 169 157 A 14 CYS H A 11 ALA HA 1.0 . 4.43 170 158 A 15 VAL HG1% A 11 ALA HA 1.0 . 5.21 171 159 A 12 ILE HD1% A 11 ALA HA 1.0 . 5.50 172 160 A 22 SER HB2 A 29 ILE H 1.0 . 5.50 173 161 A 22 SER HB2 A 21 LEU HD2% 1.0 . 3.75 174 162 A 18 PHE H A 15 VAL HA 1.0 . 4.18 175 163 A 17 LEU H A 15 VAL HA 1.0 . 5.06 176 164 A 19 SER H A 15 VAL HA 1.0 . 4.81 177 165 A 18 PHE HD% A 15 VAL HA 1.0 . 4.42 178 166 A 15 VAL HG1% A 15 VAL HA 1.0 . 3.28 179 167 A 15 VAL HG2% A 15 VAL HA 1.0 . 3.49 180 168 A 16 LEU HB2 A 13 VAL HA 1.0 . 4.70 181 169 A 12 ILE HD1% A 12 ILE HA 1.0 . 4.65 182 170 A 17 LEU H A 13 VAL HA 1.0 . 4.97 183 171 A 13 VAL HA A 16 LEU HG 1.0 . 4.52 184 172 A 13 VAL HA A 17 LEU HD1% 1.0 . 5.34 185 172 A 17 LEU HD2% A 13 VAL HA 1.0 . 5.34 186 173 A 12 ILE HD1% A 9 TRP HB3 1.0 . 5.50 187 174 A 9 TRP H A 9 TRP HB3 1.0 . 3.99 188 175 A 9 TRP HD1 A 9 TRP HB3 1.0 . 3.63 189 176 A 9 TRP HB3 A 5 LEU HD1% 1.0 . 5.50 190 177 A 9 TRP HB3 A 5 LEU HD2% 1.0 . 5.50 191 178 A 7 GLY H A 9 TRP HB2 1.0 . 5.38 192 179 A 5 LEU H A 9 TRP HB2 1.0 . 4.33 193 180 A 9 TRP HB2 A 5 LEU HB2 1.0 . 5.41 194 180 A 5 LEU HB3 A 9 TRP HB2 1.0 . 5.41 195 181 A 5 LEU HG A 9 TRP HB2 1.0 . 5.41 196 182 A 5 LEU HD1% A 9 TRP HB2 1.0 . 5.50 197 183 A 5 LEU HD2% A 9 TRP HB2 1.0 . 5.50 198 184 A 12 ILE HD1% A 9 TRP HB2 1.0 . 5.50 199 185 A 6 GLY H A 9 TRP HB2 1.0 . 5.49 200 186 A 9 TRP H A 9 TRP HB2 1.0 . 4.11 201 187 A 10 LEU H A 9 TRP HB2 1.0 . 4.83 202 188 A 9 TRP HD1 A 9 TRP HB2 1.0 . 3.74 203 189 A 27 ARG H A 27 ARG HD2 1.0 . 5.50 204 189 A 27 ARG H A 27 ARG HD3 1.0 . 5.50 205 190 A 18 PHE H A 18 PHE HB2 1.0 . 3.12 206 190 A 18 PHE H A 18 PHE HB3 1.0 . 3.12 207 191 A 19 SER H A 18 PHE HB2 1.0 . 3.59 208 191 A 19 SER H A 18 PHE HB3 1.0 . 3.59 209 192 A 21 LEU HD2% A 18 PHE HB2 1.0 . 4.93 210 192 A 21 LEU HD2% A 18 PHE HB3 1.0 . 4.93 211 193 A 4 HIS H A 4 HIS HB2 1.0 . 3.89 212 194 A 21 LEU H A 18 PHE HB2 1.0 . 5.50 213 194 A 21 LEU H A 18 PHE HB3 1.0 . 5.50 214 195 A 20 GLN H A 18 PHE HB2 1.0 . 5.50 215 195 A 20 GLN H A 18 PHE HB3 1.0 . 5.50 216 196 A 4 HIS HB2 A 2 ARG HG2 1.0 . 5.17 217 196 A 4 HIS HB2 A 2 ARG HG3 1.0 . 5.17 218 197 A 17 LEU HG A 18 PHE HB2 1.0 . 5.04 219 197 A 17 LEU HG A 18 PHE HB3 1.0 . 5.04 220 198 A 15 VAL HG2% A 18 PHE HB2 1.0 . 5.50 221 198 A 15 VAL HG2% A 18 PHE HB3 1.0 . 5.50 222 199 A 14 CYS H A 14 CYS HG 1.0 . 3.84 223 200 A 14 CYS HG A 14 CYS HA 1.0 . 3.48 224 201 A 14 CYS HG A 14 CYS HB3 1.0 . 3.18 225 202 A 14 CYS HB2 A 14 CYS HG 1.0 . 3.37 226 203 A 14 CYS HG A 11 ALA HB% 1.0 . 5.50 227 204 A 14 CYS HG A 10 LEU HB3 1.0 . 5.17 228 205 A 14 CYS HG A 10 LEU HG 1.0 . 5.47 229 206 A 13 VAL HG2% A 14 CYS HG 1.0 . 5.50 230 207 A 25 LYS HB3 A 25 LYS HE2 1.0 . 5.16 231 207 A 25 LYS HE3 A 25 LYS HB3 1.0 . 5.16 232 208 A 25 LYS HB2 A 25 LYS HE2 1.0 . 4.88 233 208 A 25 LYS HE3 A 25 LYS HB2 1.0 . 4.88 234 209 A 24 VAL HG2% A 25 LYS HE2 1.0 . 5.50 235 209 A 24 VAL HG2% A 25 LYS HE3 1.0 . 5.50 236 210 A 3 LYS HB3 A 3 LYS HE2 1.0 . 3.06 237 210 A 3 LYS HB2 A 3 LYS HE2 1.0 . 3.06 238 210 A 3 LYS HE3 A 3 LYS HB2 1.0 . 3.06 239 210 A 3 LYS HB3 A 3 LYS HE3 1.0 . 3.06 240 211 A 8 CYS H A 8 CYS HB3 1.0 . 4.13 241 212 A 9 TRP H A 8 CYS HB3 1.0 . 4.95 242 213 A 12 ILE HD1% A 8 CYS HB3 1.0 . 5.50 243 214 A 9 TRP HA A 8 CYS HB3 1.0 . 4.42 244 215 A 11 ALA HB% A 8 CYS HB2 1.0 . 5.34 245 216 A 9 TRP H A 8 CYS HB2 1.0 . 4.97 246 217 A 12 ILE HD1% A 8 CYS HB2 1.0 . 5.50 247 218 A 16 LEU H A 14 CYS HB3 1.0 . 5.50 248 219 A 14 CYS H A 14 CYS HB3 1.0 . 3.97 249 220 A 15 VAL H A 14 CYS HB3 1.0 . 4.38 250 221 A 18 PHE HD% A 14 CYS HB3 1.0 . 4.92 251 222 A 11 ALA HA A 14 CYS HB3 1.0 . 4.43 252 223 A 15 VAL HG1% A 14 CYS HB3 1.0 . 5.19 253 224 A 14 CYS HB3 A 17 LEU HD1% 1.0 . 5.34 254 224 A 17 LEU HD2% A 14 CYS HB3 1.0 . 5.34 255 225 A 15 VAL HB A 14 CYS HB3 1.0 . 4.19 256 226 A 21 LEU H A 20 GLN HG3 1.0 . 5.47 257 227 A 20 GLN H A 20 GLN HG3 1.0 . 3.98 258 228 A 19 SER H A 20 GLN HG3 1.0 . 5.50 259 229 A 18 PHE HD% A 14 CYS HB2 1.0 . 5.05 260 230 A 20 GLN HG3 A 16 LEU HG 1.0 . 4.99 261 231 A 16 LEU H A 14 CYS HB2 1.0 . 5.50 262 232 A 21 LEU H A 20 GLN HG2 1.0 . 5.35 263 233 A 29 ILE HG2% A 20 GLN HG2 1.0 . 5.50 264 234 A 20 GLN HB3 A 29 ILE HG13 1.0 . 5.00 265 235 A 20 GLN H A 20 GLN HB3 1.0 . 3.66 266 236 A 17 LEU H A 15 VAL HB 1.0 . 5.50 267 237 A 15 VAL HB A 15 VAL H 1.0 . 3.39 268 238 A 18 PHE HD% A 15 VAL HB 1.0 . 5.50 269 239 A 14 CYS H A 13 VAL HB 1.0 . 3.68 270 240 A 10 LEU HA A 13 VAL HB 1.0 . 3.90 271 241 A 13 VAL HB A 10 LEU HB2 1.0 . 5.34 272 242 A 25 LYS H A 24 VAL HB 1.0 . 3.52 273 243 A 24 VAL H A 24 VAL HB 1.0 . 3.23 274 244 A 24 VAL HB A 25 LYS HG2 1.0 . 5.50 275 245 A 2 ARG H A 1 MET HB2 1.0 . 4.44 276 245 A 2 ARG H A 1 MET HB3 1.0 . 4.44 277 246 A 25 LYS HA A 24 VAL HB 1.0 . 4.51 278 247 A 20 GLN H A 20 GLN HB2 1.0 . 3.44 279 248 A 20 GLN HB2 A 21 LEU HA 1.0 . 4.71 280 249 A 13 VAL H A 12 ILE HB 1.0 . 4.46 281 250 A 9 TRP HZ3 A 12 ILE HB 1.0 . 4.79 282 251 A 12 ILE H A 12 ILE HB 1.0 . 4.17 283 252 A 15 VAL HG1% A 12 ILE HB 1.0 . 5.50 284 253 A 17 LEU H A 16 LEU HB3 1.0 . 3.98 285 254 A 16 LEU H A 16 LEU HB3 1.0 . 3.68 286 255 A 28 GLY H A 27 ARG HG3 1.0 . 5.06 287 256 A 13 VAL HA A 16 LEU HB3 1.0 . 3.94 288 257 A 27 ARG HG3 A 27 ARG HB2 1.0 . 2.99 289 258 A 16 LEU HD1% A 16 LEU HB3 1.0 . 3.61 290 259 A 29 ILE H A 29 ILE HB 1.0 . 3.55 291 260 A 16 LEU HB2 A 15 VAL HG1% 1.0 . 5.36 292 261 A 25 LYS H A 25 LYS HB3 1.0 . 3.46 293 262 A 16 LEU H A 16 LEU HB2 1.0 . 3.72 294 263 A 21 LEU HD2% A 21 LEU HB3 1.0 . 2.90 295 264 A 28 GLY H A 27 ARG HG2 1.0 . 4.97 296 265 A 27 ARG H A 27 ARG HG2 1.0 . 3.48 297 266 A 21 LEU H A 21 LEU HB2 1.0 . 3.77 298 267 A 18 PHE H A 17 LEU HB2 1.0 . 3.85 299 267 A 18 PHE H A 17 LEU HB3 1.0 . 3.85 300 268 A 30 LYS H A 30 LYS HB2 1.0 . 4.12 301 269 A 2 ARG H A 2 ARG HB2 1.0 . 4.04 302 270 A 17 LEU H A 17 LEU HB2 1.0 . 3.38 303 270 A 17 LEU H A 17 LEU HB3 1.0 . 3.38 304 271 A 3 LYS H A 2 ARG HB2 1.0 . 4.24 305 272 A 27 ARG H A 27 ARG HB2 1.0 . 4.02 306 273 A 27 ARG HE A 27 ARG HB2 1.0 . 5.07 307 274 A 17 LEU HB2 A 17 LEU HD1% 1.0 . 3.38 308 274 A 17 LEU HB3 A 17 LEU HD1% 1.0 . 3.38 309 274 A 17 LEU HD2% A 17 LEU HB2 1.0 . 3.38 310 274 A 17 LEU HD2% A 17 LEU HB3 1.0 . 3.38 311 275 A 27 ARG HB3 A 27 ARG HD2 1.0 . 2.40 312 275 A 27 ARG HB3 A 27 ARG HD3 1.0 . 2.40 313 276 A 4 HIS H A 3 LYS HB2 1.0 . 4.42 314 276 A 4 HIS H A 3 LYS HB3 1.0 . 4.42 315 277 A 4 HIS HD2 A 3 LYS HB2 1.0 . 5.50 316 277 A 4 HIS HD2 A 3 LYS HB3 1.0 . 5.50 317 278 A 27 ARG HB3 A 27 ARG HE 1.0 . 5.09 318 279 A 25 LYS HD3 A 25 LYS HA 1.0 . 4.87 319 280 A 3 LYS H A 3 LYS HB2 1.0 . 3.52 320 280 A 3 LYS H A 3 LYS HB3 1.0 . 3.52 321 281 A 27 ARG HB3 A 27 ARG HG2 1.0 . 2.64 322 282 A 12 ILE H A 12 ILE HG12 1.0 . 4.50 323 283 A 9 TRP HZ3 A 12 ILE HG12 1.0 . 5.44 324 284 A 12 ILE HG2% A 12 ILE HG12 1.0 . 3.85 325 285 A 2 ARG H A 2 ARG HG2 1.0 . 4.54 326 285 A 2 ARG H A 2 ARG HG3 1.0 . 4.54 327 286 A 7 GLY H A 10 LEU HB3 1.0 . 5.20 328 287 A 11 ALA H A 10 LEU HB3 1.0 . 4.40 329 288 A 10 LEU H A 10 LEU HB3 1.0 . 4.09 330 289 A 6 GLY HA2 A 5 LEU HB2 1.0 . 5.10 331 289 A 5 LEU HB3 A 6 GLY HA2 1.0 . 5.10 332 290 A 9 TRP HB3 A 5 LEU HB2 1.0 . 5.07 333 290 A 9 TRP HB3 A 5 LEU HB3 1.0 . 5.07 334 291 A 7 GLY H A 5 LEU HB2 1.0 . 5.48 335 291 A 7 GLY H A 5 LEU HB3 1.0 . 5.48 336 292 A 5 LEU H A 5 LEU HB2 1.0 . 3.36 337 292 A 5 LEU H A 5 LEU HB3 1.0 . 3.36 338 293 A 6 GLY H A 5 LEU HB2 1.0 . 4.28 339 293 A 6 GLY H A 5 LEU HB3 1.0 . 4.28 340 294 A 9 TRP HD1 A 5 LEU HB2 1.0 . 4.92 341 294 A 9 TRP HD1 A 5 LEU HB3 1.0 . 4.92 342 295 A 21 LEU HG A 21 LEU HB2 1.0 . 2.79 343 296 A 7 GLY H A 5 LEU HG 1.0 . 4.97 344 297 A 17 LEU H A 16 LEU HG 1.0 . 4.26 345 298 A 5 LEU H A 5 LEU HG 1.0 . 4.17 346 299 A 6 GLY H A 5 LEU HG 1.0 . 3.95 347 300 A 12 ILE H A 10 LEU HB2 1.0 . 5.24 348 301 A 9 TRP HD1 A 5 LEU HG 1.0 . 5.10 349 302 A 14 CYS HB2 A 17 LEU HG 1.0 . 5.13 350 303 A 17 LEU H A 17 LEU HG 1.0 . 3.87 351 304 A 25 LYS H A 25 LYS HG3 1.0 . 4.10 352 305 A 17 LEU HA A 17 LEU HG 1.0 . 3.56 353 306 A 18 PHE H A 17 LEU HG 1.0 . 4.21 354 307 A 29 ILE H A 29 ILE HG12 1.0 . 4.23 355 308 A 18 PHE HD% A 17 LEU HG 1.0 . 5.15 356 309 A 20 GLN HB3 A 29 ILE HG12 1.0 . 5.12 357 310 A 4 HIS HD2 A 3 LYS HD2 1.0 . 5.27 358 310 A 4 HIS HD2 A 3 LYS HD3 1.0 . 5.27 359 311 A 28 GLY H A 26 ALA HB% 1.0 . 5.26 360 312 A 25 LYS H A 25 LYS HG2 1.0 . 3.99 361 313 A 20 GLN HG2 A 29 ILE HG12 1.0 . 5.15 362 314 A 3 LYS H A 3 LYS HD2 1.0 . 4.60 363 314 A 3 LYS H A 3 LYS HD3 1.0 . 4.60 364 315 A 10 LEU H A 10 LEU HG 1.0 . 4.14 365 316 A 9 TRP HD1 A 10 LEU HG 1.0 . 5.50 366 317 A 11 ALA HB% A 12 ILE HA 1.0 . 5.50 367 318 A 8 CYS H A 11 ALA HB% 1.0 . 5.50 368 319 A 13 VAL H A 11 ALA HB% 1.0 . 5.50 369 320 A 11 ALA HB% A 11 ALA H 1.0 . 3.99 370 321 A 11 ALA HB% A 10 LEU H 1.0 . 5.50 371 322 A 11 ALA HB% A 12 ILE HB 1.0 . 5.50 372 323 A 29 ILE H A 29 ILE HG13 1.0 . 4.46 373 324 A 20 GLN HG2 A 29 ILE HG13 1.0 . 3.58 374 325 A 18 PHE H A 15 VAL HG1% 1.0 . 5.50 375 326 A 18 PHE HD% A 15 VAL HG1% 1.0 . 5.23 376 327 A 15 VAL HG1% A 12 ILE HA 1.0 . 4.11 377 328 A 15 VAL HG1% A 14 CYS HB2 1.0 . 5.50 378 329 A 15 VAL HG1% A 12 ILE HD1% 1.0 . 5.22 379 330 A 24 VAL HG1% A 25 LYS HB3 1.0 . 5.50 380 331 A 25 LYS H A 24 VAL HG1% 1.0 . 4.06 381 332 A 26 ALA H A 24 VAL HG1% 1.0 . 5.10 382 333 A 23 SER H A 24 VAL HG1% 1.0 . 5.09 383 334 A 24 VAL H A 24 VAL HG1% 1.0 . 3.36 384 335 A 24 VAL HG1% A 24 VAL HA 1.0 . 3.31 385 336 A 9 TRP HE1 A 13 VAL HG2% 1.0 . 5.50 386 337 A 13 VAL HG2% A 9 TRP HZ3 1.0 . 4.38 387 338 A 13 VAL HG2% A 9 TRP HZ2 1.0 . 5.50 388 339 A 13 VAL HG2% A 10 LEU HA 1.0 . 3.98 389 340 A 12 ILE HA A 12 ILE HG13 1.0 . 3.25 390 341 A 12 ILE H A 12 ILE HG13 1.0 . 4.73 391 342 A 18 PHE H A 15 VAL HG2% 1.0 . 5.50 392 343 A 16 LEU H A 15 VAL HG2% 1.0 . 4.38 393 344 A 25 LYS H A 24 VAL HG2% 1.0 . 4.05 394 345 A 26 ALA H A 24 VAL HG2% 1.0 . 4.67 395 346 A 18 PHE HD% A 15 VAL HG2% 1.0 . 4.90 396 347 A 15 VAL HG2% A 16 LEU HA 1.0 . 3.90 397 348 A 15 VAL HG2% A 18 PHE HZ 1.0 . 5.50 398 349 A 29 ILE HD1% A 23 SER HB3 1.0 . 3.46 399 350 A 10 LEU H A 10 LEU HD1% 1.0 . 5.50 400 351 A 12 ILE HG2% A 9 TRP HE3 1.0 . 5.18 401 352 A 12 ILE HG2% A 9 TRP HH2 1.0 . 4.61 402 353 A 16 LEU HD1% A 20 GLN HG3 1.0 . 4.52 403 354 A 17 LEU H A 16 LEU HD1% 1.0 . 4.51 404 355 A 13 VAL H A 12 ILE HG2% 1.0 . 4.19 405 356 A 22 SER H A 21 LEU HD2% 1.0 . 3.66 406 357 A 29 ILE H A 29 ILE HD1% 1.0 . 4.86 407 358 A 12 ILE HG2% A 9 TRP HZ3 1.0 . 4.32 408 359 A 18 PHE HD% A 21 LEU HD2% 1.0 . 3.93 409 360 A 16 LEU HD1% A 20 GLN HE21 1.0 . 5.50 410 361 A 21 LEU HD2% A 21 LEU HA 1.0 . 3.61 411 362 A 6 GLY HA3 A 10 LEU HD1% 1.0 . 4.70 412 363 A 12 ILE HG2% A 12 ILE HD1% 1.0 . 3.88 413 364 A 7 GLY H A 5 LEU HD1% 1.0 . 5.07 414 365 A 17 LEU H A 17 LEU HD1% 1.0 . 4.54 415 365 A 17 LEU HD2% A 17 LEU H 1.0 . 4.54 416 366 A 5 LEU H A 5 LEU HD1% 1.0 . 5.09 417 367 A 6 GLY H A 5 LEU HD1% 1.0 . 5.03 418 368 A 17 LEU HA A 17 LEU HD1% 1.0 . 3.07 419 368 A 17 LEU HD2% A 17 LEU HA 1.0 . 3.07 420 369 A 14 CYS HA A 17 LEU HD1% 1.0 . 3.73 421 369 A 17 LEU HD2% A 14 CYS HA 1.0 . 3.73 422 370 A 14 CYS HB2 A 17 LEU HD1% 1.0 . 5.50 423 370 A 17 LEU HD2% A 14 CYS HB2 1.0 . 5.50 424 371 A 13 VAL HB A 17 LEU HD1% 1.0 . 5.24 425 371 A 17 LEU HD2% A 13 VAL HB 1.0 . 5.24 426 372 A 5 LEU HD1% A 5 LEU HB2 1.0 . 3.49 427 372 A 5 LEU HB3 A 5 LEU HD1% 1.0 . 3.49 428 373 A 9 TRP H A 5 LEU HD1% 1.0 . 5.50 429 374 A 9 TRP HD1 A 5 LEU HD1% 1.0 . 5.04 430 375 A 20 GLN H A 17 LEU HD1% 1.0 . 5.50 431 375 A 20 GLN H A 17 LEU HD2% 1.0 . 5.50 432 376 A 18 PHE HD% A 17 LEU HD1% 1.0 . 4.89 433 376 A 18 PHE HD% A 17 LEU HD2% 1.0 . 4.89 434 377 A 4 HIS H A 5 LEU HD2% 1.0 . 5.50 435 378 A 5 LEU H A 5 LEU HD2% 1.0 . 4.98 436 379 A 6 GLY H A 5 LEU HD2% 1.0 . 5.02 437 380 A 9 TRP HD1 A 5 LEU HD2% 1.0 . 5.09 438 381 A 5 LEU HD2% A 5 LEU HB2 1.0 . 3.69 439 381 A 5 LEU HB3 A 5 LEU HD2% 1.0 . 3.69 440 382 A 12 ILE HD1% A 9 TRP HA 1.0 . 4.34 441 383 A 12 ILE HD1% A 9 TRP HH2 1.0 . 5.50 442 384 A 13 VAL H A 12 ILE HD1% 1.0 . 5.50 443 385 A 9 TRP H A 12 ILE HD1% 1.0 . 5.50 444 386 A 12 ILE HD1% A 9 TRP HZ3 1.0 . 4.92 445 387 A 12 ILE HD1% A 8 CYS HA 1.0 . 5.50 446 388 A 11 ALA HB% A 12 ILE HD1% 1.0 . 4.91 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 MET N A 1 MET CA A 1 MET CB A 1 MET CG 1.0 -335.0 -25.0 CHI1 2 2 A 1 MET N A 1 MET CA A 1 MET CB A 1 MET CG 1.0 -205.0 95.0 CHI1 3 3 A 1 MET N A 1 MET CA A 1 MET C A 2 ARG N 1.0 -85.0 205.0 PSI 4 4 A 1 MET C A 2 ARG N A 2 ARG CA A 2 ARG C 1.0 -315.0 -45.0 PHI 5 5 A 1 MET C A 2 ARG N A 2 ARG CA A 2 ARG C 1.0 -185.0 75.0 PHI 6 6 A 2 ARG N A 2 ARG CA A 2 ARG CB A 2 ARG CG 1.0 -335.0 -25.0 CHI1 7 7 A 2 ARG N A 2 ARG CA A 2 ARG CB A 2 ARG CG 1.0 -205.0 95.0 CHI1 8 8 A 2 ARG N A 2 ARG CA A 2 ARG C A 3 LYS N 1.0 15.0 195.0 PSI 9 9 A 2 ARG C A 3 LYS N A 3 LYS CA A 3 LYS C 1.0 -315.0 -45.0 PHI 10 10 A 2 ARG C A 3 LYS N A 3 LYS CA A 3 LYS C 1.0 -185.0 75.0 PHI 11 11 A 3 LYS N A 3 LYS CA A 3 LYS CB A 3 LYS CG 1.0 -335.0 -25.0 CHI1 12 12 A 3 LYS N A 3 LYS CA A 3 LYS CB A 3 LYS CG 1.0 -205.0 95.0 CHI1 13 13 A 3 LYS N A 3 LYS CA A 3 LYS C A 4 HIS N 1.0 -15.0 205.0 PSI 14 14 A 3 LYS C A 4 HIS N A 4 HIS CA A 4 HIS C 1.0 -315.0 -45.0 PHI 15 15 A 3 LYS C A 4 HIS N A 4 HIS CA A 4 HIS C 1.0 -185.0 75.0 PHI 16 16 A 4 HIS N A 4 HIS CA A 4 HIS CB A 4 HIS CG 1.0 -335.0 -25.0 CHI1 17 17 A 4 HIS N A 4 HIS CA A 4 HIS CB A 4 HIS CG 1.0 -205.0 95.0 CHI1 18 18 A 4 HIS N A 4 HIS CA A 4 HIS C A 5 LEU N 1.0 -5.0 195.0 PSI 19 19 A 4 HIS C A 5 LEU N A 5 LEU CA A 5 LEU C 1.0 -315.0 -45.0 PHI 20 20 A 4 HIS C A 5 LEU N A 5 LEU CA A 5 LEU C 1.0 -185.0 75.0 PHI 21 21 A 5 LEU N A 5 LEU CA A 5 LEU CB A 5 LEU CG 1.0 -225.0 105.0 CHI1 22 22 A 5 LEU N A 5 LEU CA A 5 LEU C A 6 GLY N 1.0 -85.0 205.0 PSI 23 23 A 5 LEU C A 6 GLY N A 6 GLY CA A 6 GLY C 1.0 -315.0 -45.0 PHI 24 24 A 6 GLY C A 7 GLY N A 7 GLY CA A 7 GLY C 1.0 -315.0 -45.0 PHI 25 25 A 7 GLY C A 8 CYS N A 8 CYS CA A 8 CYS C 1.0 -315.0 -45.0 PHI 26 26 A 7 GLY C A 8 CYS N A 8 CYS CA A 8 CYS C 1.0 -185.0 75.0 PHI 27 27 A 8 CYS N A 8 CYS CA A 8 CYS CB A 8 CYS SG 1.0 -335.0 -25.0 CHI1 28 28 A 8 CYS N A 8 CYS CA A 8 CYS CB A 8 CYS SG 1.0 -205.0 85.0 CHI1 29 29 A 8 CYS N A 8 CYS CA A 8 CYS C A 9 TRP N 1.0 -85.0 195.0 PSI 30 30 A 8 CYS C A 9 TRP N A 9 TRP CA A 9 TRP C 1.0 -315.0 -45.0 PHI 31 31 A 8 CYS C A 9 TRP N A 9 TRP CA A 9 TRP C 1.0 -185.0 75.0 PHI 32 32 A 9 TRP N A 9 TRP CA A 9 TRP CB A 9 TRP CG 1.0 -335.0 -25.0 CHI1 33 33 A 9 TRP N A 9 TRP CA A 9 TRP CB A 9 TRP CG 1.0 -205.0 95.0 CHI1 34 34 A 9 TRP N A 9 TRP CA A 9 TRP C A 10 LEU N 1.0 -275.0 25.0 PSI 35 35 A 9 TRP N A 9 TRP CA A 9 TRP C A 10 LEU N 1.0 -85.0 195.0 PSI 36 36 A 9 TRP C A 10 LEU N A 10 LEU CA A 10 LEU C 1.0 -315.0 -45.0 PHI 37 37 A 9 TRP C A 10 LEU N A 10 LEU CA A 10 LEU C 1.0 -185.0 75.0 PHI 38 38 A 10 LEU N A 10 LEU CA A 10 LEU CB A 10 LEU CG 1.0 -225.0 105.0 CHI1 39 39 A 10 LEU N A 10 LEU CA A 10 LEU C A 11 ALA N 1.0 -175.0 165.0 PSI 40 40 A 10 LEU N A 10 LEU CA A 10 LEU C A 11 ALA N 1.0 -85.0 195.0 PSI 41 41 A 10 LEU C A 11 ALA N A 11 ALA CA A 11 ALA C 1.0 -315.0 -45.0 PHI 42 42 A 10 LEU C A 11 ALA N A 11 ALA CA A 11 ALA C 1.0 -185.0 75.0 PHI 43 43 A 11 ALA N A 11 ALA CA A 11 ALA C A 12 ILE N 1.0 -85.0 205.0 PSI 44 44 A 11 ALA C A 12 ILE N A 12 ILE CA A 12 ILE C 1.0 -315.0 -45.0 PHI 45 45 A 11 ALA C A 12 ILE N A 12 ILE CA A 12 ILE C 1.0 -185.0 75.0 PHI 46 46 A 12 ILE N A 12 ILE CA A 12 ILE CB A 12 ILE CG1 1.0 -335.0 -25.0 CHI1 47 47 A 12 ILE N A 12 ILE CA A 12 ILE CB A 12 ILE CG1 1.0 -195.0 85.0 CHI1 48 48 A 12 ILE N A 12 ILE CA A 12 ILE CB A 12 ILE CG1 1.0 -75.0 205.0 CHI1 49 49 A 12 ILE N A 12 ILE CA A 12 ILE C A 13 VAL N 1.0 -85.0 195.0 PSI 50 50 A 12 ILE C A 13 VAL N A 13 VAL CA A 13 VAL C 1.0 -305.0 -45.0 PHI 51 51 A 12 ILE C A 13 VAL N A 13 VAL CA A 13 VAL C 1.0 -165.0 75.0 PHI 52 52 A 13 VAL N A 13 VAL CA A 13 VAL CB A 13 VAL CG1 1.0 -195.0 -45.0 CHI1 53 53 A 13 VAL N A 13 VAL CA A 13 VAL CB A 13 VAL CG1 1.0 -95.0 205.0 CHI1 54 54 A 13 VAL N A 13 VAL CA A 13 VAL C A 14 CYS N 1.0 -265.0 15.0 PSI 55 55 A 13 VAL N A 13 VAL CA A 13 VAL C A 14 CYS N 1.0 -85.0 195.0 PSI 56 56 A 13 VAL C A 14 CYS N A 14 CYS CA A 14 CYS C 1.0 -315.0 -45.0 PHI 57 57 A 13 VAL C A 14 CYS N A 14 CYS CA A 14 CYS C 1.0 -185.0 75.0 PHI 58 58 A 14 CYS N A 14 CYS CA A 14 CYS CB A 14 CYS SG 1.0 -335.0 -25.0 CHI1 59 59 A 14 CYS N A 14 CYS CA A 14 CYS CB A 14 CYS SG 1.0 -205.0 85.0 CHI1 60 60 A 14 CYS N A 14 CYS CA A 14 CYS C A 15 VAL N 1.0 -85.0 195.0 PSI 61 61 A 14 CYS C A 15 VAL N A 15 VAL CA A 15 VAL C 1.0 -175.0 -45.0 PHI 62 62 A 15 VAL N A 15 VAL CA A 15 VAL CB A 15 VAL CG1 1.0 45.0 295.0 CHI1 63 63 A 15 VAL N A 15 VAL CA A 15 VAL CB A 15 VAL CG1 1.0 -195.0 85.0 CHI1 64 64 A 15 VAL N A 15 VAL CA A 15 VAL CB A 15 VAL CG1 1.0 -75.0 205.0 CHI1 65 65 A 15 VAL N A 15 VAL CA A 15 VAL C A 16 LEU N 1.0 -265.0 55.0 PSI 66 66 A 15 VAL N A 15 VAL CA A 15 VAL C A 16 LEU N 1.0 -85.0 115.0 PSI 67 67 A 15 VAL C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -315.0 -45.0 PHI 68 68 A 15 VAL C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -185.0 75.0 PHI 69 69 A 16 LEU N A 16 LEU CA A 16 LEU CB A 16 LEU CG 1.0 -225.0 105.0 CHI1 70 70 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 LEU N 1.0 -285.0 45.0 PSI 71 71 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 LEU N 1.0 -85.0 135.0 PSI 72 72 A 16 LEU C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -315.0 -45.0 PHI 73 73 A 16 LEU C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -185.0 75.0 PHI 74 74 A 17 LEU N A 17 LEU CA A 17 LEU CB A 17 LEU CG 1.0 -225.0 105.0 CHI1 75 75 A 17 LEU N A 17 LEU CA A 17 LEU C A 18 PHE N 1.0 -85.0 205.0 PSI 76 76 A 17 LEU C A 18 PHE N A 18 PHE CA A 18 PHE C 1.0 -315.0 -45.0 PHI 77 77 A 17 LEU C A 18 PHE N A 18 PHE CA A 18 PHE C 1.0 -185.0 75.0 PHI 78 78 A 18 PHE N A 18 PHE CA A 18 PHE CB A 18 PHE CG 1.0 -335.0 -25.0 CHI1 79 79 A 18 PHE N A 18 PHE CA A 18 PHE CB A 18 PHE CG 1.0 -205.0 95.0 CHI1 80 80 A 18 PHE N A 18 PHE CA A 18 PHE C A 19 SER N 1.0 -85.0 125.0 PSI 81 81 A 18 PHE C A 19 SER N A 19 SER CA A 19 SER C 1.0 -315.0 -45.0 PHI 82 82 A 18 PHE C A 19 SER N A 19 SER CA A 19 SER C 1.0 -185.0 75.0 PHI 83 83 A 19 SER N A 19 SER CA A 19 SER C A 20 GLN N 1.0 -85.0 125.0 PSI 84 84 A 19 SER C A 20 GLN N A 20 GLN CA A 20 GLN C 1.0 -185.0 -45.0 PHI 85 85 A 20 GLN N A 20 GLN CA A 20 GLN CB A 20 GLN CG 1.0 -335.0 -25.0 CHI1 86 86 A 20 GLN N A 20 GLN CA A 20 GLN CB A 20 GLN CG 1.0 -205.0 55.0 CHI1 87 87 A 20 GLN N A 20 GLN CA A 20 GLN C A 21 LEU N 1.0 -85.0 -5.0 PSI 88 88 A 20 GLN C A 21 LEU N A 21 LEU CA A 21 LEU C 1.0 -315.0 -45.0 PHI 89 89 A 20 GLN C A 21 LEU N A 21 LEU CA A 21 LEU C 1.0 -185.0 75.0 PHI 90 90 A 21 LEU N A 21 LEU CA A 21 LEU CB A 21 LEU CG 1.0 -225.0 105.0 CHI1 91 91 A 21 LEU N A 21 LEU CA A 21 LEU C A 22 SER N 1.0 -85.0 205.0 PSI 92 92 A 21 LEU C A 22 SER N A 22 SER CA A 22 SER C 1.0 -315.0 -45.0 PHI 93 93 A 21 LEU C A 22 SER N A 22 SER CA A 22 SER C 1.0 -185.0 65.0 PHI 94 94 A 22 SER N A 22 SER CA A 22 SER C A 23 SER N 1.0 -85.0 205.0 PSI 95 95 A 22 SER C A 23 SER N A 23 SER CA A 23 SER C 1.0 -315.0 -45.0 PHI 96 96 A 22 SER C A 23 SER N A 23 SER CA A 23 SER C 1.0 -185.0 65.0 PHI 97 97 A 23 SER N A 23 SER CA A 23 SER C A 24 VAL N 1.0 -85.0 115.0 PSI 98 98 A 23 SER C A 24 VAL N A 24 VAL CA A 24 VAL C 1.0 -155.0 -45.0 PHI 99 99 A 24 VAL N A 24 VAL CA A 24 VAL CB A 24 VAL CG1 1.0 -195.0 -155.0 CHI1 100 100 A 24 VAL N A 24 VAL CA A 24 VAL C A 25 LYS N 1.0 -85.0 5.0 PSI 101 101 A 24 VAL C A 25 LYS N A 25 LYS CA A 25 LYS C 1.0 -315.0 -45.0 PHI 102 102 A 24 VAL C A 25 LYS N A 25 LYS CA A 25 LYS C 1.0 -185.0 75.0 PHI 103 103 A 25 LYS N A 25 LYS CA A 25 LYS CB A 25 LYS CG 1.0 -335.0 -25.0 CHI1 104 104 A 25 LYS N A 25 LYS CA A 25 LYS CB A 25 LYS CG 1.0 -205.0 95.0 CHI1 105 105 A 25 LYS N A 25 LYS CA A 25 LYS C A 26 ALA N 1.0 -15.0 195.0 PSI 106 106 A 25 LYS C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -315.0 -45.0 PHI 107 107 A 25 LYS C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -185.0 75.0 PHI 108 108 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 ARG N 1.0 -265.0 15.0 PSI 109 109 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 ARG N 1.0 -85.0 205.0 PSI 110 110 A 26 ALA C A 27 ARG N A 27 ARG CA A 27 ARG C 1.0 -315.0 -45.0 PHI 111 111 A 26 ALA C A 27 ARG N A 27 ARG CA A 27 ARG C 1.0 -185.0 75.0 PHI 112 112 A 27 ARG N A 27 ARG CA A 27 ARG CB A 27 ARG CG 1.0 -335.0 -25.0 CHI1 113 113 A 27 ARG N A 27 ARG CA A 27 ARG CB A 27 ARG CG 1.0 -205.0 95.0 CHI1 114 114 A 27 ARG N A 27 ARG CA A 27 ARG C A 28 GLY N 1.0 -85.0 105.0 PSI 115 115 A 27 ARG C A 28 GLY N A 28 GLY CA A 28 GLY C 1.0 -315.0 -45.0 PHI 116 116 A 28 GLY C A 29 ILE N A 29 ILE CA A 29 ILE C 1.0 -315.0 -45.0 PHI 117 117 A 28 GLY C A 29 ILE N A 29 ILE CA A 29 ILE C 1.0 -185.0 65.0 PHI 118 118 A 29 ILE N A 29 ILE CA A 29 ILE CB A 29 ILE CG1 1.0 -335.0 -25.0 CHI1 119 119 A 29 ILE N A 29 ILE CA A 29 ILE CB A 29 ILE CG1 1.0 -195.0 85.0 CHI1 120 120 A 29 ILE N A 29 ILE CA A 29 ILE CB A 29 ILE CG1 1.0 -75.0 205.0 CHI1 121 121 A 29 ILE N A 29 ILE CA A 29 ILE C A 30 LYS N 1.0 -15.0 195.0 PSI 122 122 A 29 ILE C A 30 LYS N A 30 LYS CA A 30 LYS C 1.0 -315.0 -45.0 PHI 123 123 A 29 ILE C A 30 LYS N A 30 LYS CA A 30 LYS C 1.0 -185.0 75.0 PHI 124 124 A 30 LYS N A 30 LYS CA A 30 LYS CB A 30 LYS CG 1.0 -335.0 -25.0 CHI1 125 125 A 30 LYS N A 30 LYS CA A 30 LYS CB A 30 LYS CG 1.0 -205.0 95.0 CHI1 stop_ save_