data_nef_c16122_2kdr 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 2JXF 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 X 1 SER start . . 2 X 2 ASP middle . . 3 X 3 ALA middle . . 4 X 4 ALA middle . . 5 X 5 ALA middle . . 6 X 6 ARG middle . . 7 X 7 VAL middle . . 8 X 8 THR middle . . 9 X 9 ALA middle . . 10 X 10 ILE middle . . 11 X 11 LEU middle . . 12 X 12 SER middle . . 13 X 13 SER middle . . 14 X 14 LEU middle . . 15 X 15 THR middle . . 16 X 16 VAL middle . . 17 X 17 THR middle . . 18 X 18 GLN middle . . 19 X 19 LEU middle . . 20 X 20 LEU middle . . 21 X 21 ARG middle . . 22 X 22 ARG middle . . 23 X 23 LEU middle . . 24 X 24 HIS middle . . 25 X 25 GLN middle . . 26 X 26 TRP middle . . 27 X 27 ILE middle . . 28 X 28 SER 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 X 1 SER HA H 1 4.27 0.01 X 1 SER HB2 H 1 4.16 0.01 X 1 SER HB3 H 1 4.16 0.01 X 1 SER CA C 13 58.13 0.01 X 2 ASP H H 1 8.88 0.01 X 2 ASP HA H 1 4.89 0.01 X 2 ASP HB2 H 1 3.03 0.01 X 2 ASP HB3 H 1 3.03 0.01 X 2 ASP CA C 13 54.33 0.01 X 2 ASP CB C 13 38.96 0.01 X 3 ALA H H 1 8.37 0.01 X 3 ALA HA H 1 4.12 0.01 X 3 ALA HB% H 1 1.49 0.01 X 3 ALA CA C 13 55.88 0.01 X 3 ALA CB C 13 18.94 0.01 X 4 ALA H H 1 8.02 0.01 X 4 ALA HA H 1 4.14 0.01 X 4 ALA HB% H 1 1.50 0.01 X 4 ALA CA C 13 56.01 0.01 X 4 ALA CB C 13 18.64 0.01 X 5 ALA H H 1 7.80 0.01 X 5 ALA HA H 1 4.15 0.01 X 5 ALA HB% H 1 1.56 0.01 X 5 ALA CA C 13 56.34 0.01 X 5 ALA CB C 13 18.77 0.01 X 6 ARG H H 1 7.74 0.01 X 6 ARG HA H 1 4.15 0.01 X 6 ARG HB2 H 1 2.02 0.01 X 6 ARG HB3 H 1 2.02 0.01 X 6 ARG HD2 H 1 3.23 0.01 X 6 ARG HD3 H 1 3.23 0.01 X 6 ARG HE H 1 7.11 0.01 X 6 ARG HGy H 1 1.82 0.01 X 6 ARG HGx H 1 1.71 0.01 X 6 ARG CA C 13 60.24 0.01 X 6 ARG CB C 13 30.85 0.01 X 6 ARG CD C 13 44.18 0.01 X 6 ARG CG C 13 28.39 0.01 X 7 VAL H H 1 8.22 0.01 X 7 VAL HA H 1 3.70 0.01 X 7 VAL HB H 1 2.17 0.01 X 7 VAL HGx% H 1 1.11 0.01 X 7 VAL HGy% H 1 1.01 0.01 X 7 VAL CA C 13 67.98 0.01 X 7 VAL CB C 13 32.82 0.01 X 7 VAL CGx C 13 21.43 0.01 X 7 VAL CGy C 13 22.90 0.01 X 8 THR H H 1 8.09 0.01 X 8 THR HA H 1 3.94 0.01 X 8 THR HB H 1 4.33 0.01 X 8 THR HG2% H 1 1.31 0.01 X 8 THR CA C 13 68.08 0.01 X 8 THR CB C 13 69.77 0.01 X 8 THR CG2 C 13 21.76 0.01 X 9 ALA H H 1 8.07 0.01 X 9 ALA HA H 1 4.16 0.01 X 9 ALA HB% H 1 1.64 0.01 X 9 ALA CA C 13 56.88 0.01 X 9 ALA CB C 13 18.54 0.01 X 10 ILE H H 1 8.25 0.01 X 10 ILE HA H 1 3.74 0.01 X 10 ILE HB H 1 2.06 0.01 X 10 ILE HD1% H 1 0.90 0.01 X 10 ILE HG1y H 1 1.91 0.01 X 10 ILE HG1x H 1 1.17 0.01 X 10 ILE HG2% H 1 0.97 0.01 X 10 ILE CA C 13 66.59 0.01 X 10 ILE CB C 13 39.23 0.01 X 10 ILE CD1 C 13 13.55 0.01 X 10 ILE CG1 C 13 29.67 0.01 X 10 ILE CG2 C 13 17.21 0.01 X 11 LEU H H 1 8.85 0.01 X 11 LEU HA H 1 4.18 0.01 X 11 LEU HBy H 1 1.95 0.01 X 11 LEU HBx H 1 1.55 0.01 X 11 LEU CA C 13 59.38 0.01 X 11 LEU CB C 13 42.46 0.01 X 12 SER H H 1 8.69 0.01 X 12 SER HA H 1 4.26 0.01 X 12 SER CA C 13 63.61 0.01 X 13 SER H H 1 8.01 0.01 X 13 SER HA H 1 4.31 0.01 X 13 SER CA C 13 63.36 0.01 X 14 LEU H H 1 8.67 0.01 X 14 LEU HA H 1 4.15 0.01 X 14 LEU HBy H 1 2.01 0.01 X 14 LEU HBx H 1 1.64 0.01 X 14 LEU CA C 13 59.38 0.01 X 14 LEU CB C 13 43.03 0.01 X 15 THR H H 1 8.10 0.01 X 15 THR HA H 1 3.96 0.01 X 15 THR HB H 1 4.49 0.01 X 15 THR HG2% H 1 1.30 0.01 X 15 THR CA C 13 68.38 0.01 X 15 THR CB C 13 69.88 0.01 X 15 THR CG2 C 13 21.19 0.01 X 16 VAL H H 1 8.41 0.01 X 16 VAL HA H 1 3.75 0.01 X 16 VAL HB H 1 2.22 0.01 X 16 VAL HGx% H 1 1.15 0.01 X 16 VAL HGy% H 1 1.05 0.01 X 16 VAL CA C 13 68.19 0.01 X 16 VAL CB C 13 32.82 0.01 X 16 VAL CGy C 13 23.25 0.01 X 16 VAL CGx C 13 21.56 0.01 X 17 THR H H 1 8.05 0.01 X 17 THR HA H 1 3.95 0.01 X 17 THR HB H 1 4.37 0.01 X 17 THR HG2% H 1 1.34 0.01 X 17 THR CA C 13 68.28 0.01 X 17 THR CB C 13 69.88 0.01 X 17 THR CG2 C 13 21.83 0.01 X 18 GLN H H 1 7.92 0.01 X 18 GLN HA H 1 4.12 0.01 X 18 GLN HBy H 1 2.38 0.01 X 18 GLN HBx H 1 2.23 0.01 X 18 GLN HE2y H 1 7.04 0.01 X 18 GLN HE2x H 1 6.59 0.01 X 18 GLN HGy H 1 2.61 0.01 X 18 GLN HGx H 1 2.51 0.01 X 18 GLN CA C 13 59.46 0.01 X 18 GLN CB C 13 29.47 0.01 X 18 GLN CG C 13 35.07 0.01 X 19 LEU H H 1 8.21 0.01 X 19 LEU HA H 1 4.16 0.01 X 19 LEU HB2 H 1 1.89 0.01 X 19 LEU HB3 H 1 1.89 0.01 X 19 LEU HG H 1 1.78 0.01 X 19 LEU CA C 13 59.40 0.01 X 19 LEU CB C 13 42.60 0.01 X 19 LEU CG C 13 27.85 0.01 X 20 LEU H H 1 8.69 0.01 X 20 LEU HA H 1 4.17 0.01 X 20 LEU HBy H 1 2.04 0.01 X 20 LEU HBx H 1 1.50 0.01 X 20 LEU CA C 13 59.43 0.01 X 20 LEU CB C 13 42.57 0.01 X 21 ARG H H 1 8.21 0.01 X 21 ARG HA H 1 4.10 0.01 X 21 ARG HB2 H 1 2.05 0.01 X 21 ARG HB3 H 1 2.05 0.01 X 21 ARG HD2 H 1 3.21 0.01 X 21 ARG HD3 H 1 3.21 0.01 X 21 ARG HE H 1 7.14 0.01 X 21 ARG HGy H 1 2.00 0.01 X 21 ARG HGx H 1 1.69 0.01 X 21 ARG CA C 13 61.00 0.01 X 21 ARG CB C 13 30.65 0.01 X 21 ARG CD C 13 44.29 0.01 X 21 ARG CG C 13 28.65 0.01 X 22 ARG H H 1 8.11 0.01 X 22 ARG HA H 1 4.15 0.01 X 22 ARG HBy H 1 2.04 0.01 X 22 ARG HBx H 1 2.02 0.01 X 22 ARG HD2 H 1 3.21 0.01 X 22 ARG HD3 H 1 3.21 0.01 X 22 ARG HE H 1 7.15 0.01 X 22 ARG HGy H 1 1.87 0.01 X 22 ARG HGx H 1 1.68 0.01 X 22 ARG CA C 13 60.24 0.01 X 22 ARG CB C 13 30.70 0.01 X 22 ARG CD C 13 44.28 0.01 X 22 ARG CG C 13 28.32 0.01 X 23 LEU H H 1 8.72 0.01 X 23 LEU HA H 1 4.29 0.01 X 23 LEU HBy H 1 1.90 0.01 X 23 LEU HBx H 1 1.77 0.01 X 23 LEU HDx% H 1 0.94 0.01 X 23 LEU HDy% H 1 0.94 0.01 X 23 LEU CA C 13 59.06 0.01 X 23 LEU CB C 13 42.90 0.01 X 24 HIS H H 1 8.46 0.01 X 24 HIS HA H 1 4.34 0.01 X 24 HIS HB2 H 1 3.42 0.01 X 24 HIS HB3 H 1 3.42 0.01 X 24 HIS HD2 H 1 7.32 0.01 X 24 HIS HE1 H 1 8.51 0.01 X 24 HIS CA C 13 60.06 0.01 X 24 HIS CB C 13 28.86 0.01 X 24 HIS CD2 C 13 120.78 0.01 X 24 HIS CE1 C 13 136.74 0.01 X 25 GLN H H 1 8.22 0.01 X 25 GLN HA H 1 4.09 0.01 X 25 GLN HBy H 1 2.31 0.01 X 25 GLN HBx H 1 2.26 0.01 X 25 GLN HGy H 1 2.51 0.01 X 25 GLN HGx H 1 2.42 0.01 X 25 GLN CA C 13 59.51 0.01 X 25 GLN CB C 13 29.43 0.01 X 25 GLN CG C 13 34.65 0.01 X 26 TRP H H 1 8.34 0.01 X 26 TRP HA H 1 4.57 0.01 X 26 TRP HBy H 1 3.53 0.01 X 26 TRP HBx H 1 3.44 0.01 X 26 TRP HD1 H 1 7.21 0.01 X 26 TRP HE1 H 1 9.71 0.01 X 26 TRP HE3 H 1 7.66 0.01 X 26 TRP HH2 H 1 7.22 0.01 X 26 TRP HZ2 H 1 7.46 0.01 X 26 TRP HZ3 H 1 7.14 0.01 X 26 TRP CA C 13 60.51 0.01 X 26 TRP CB C 13 30.21 0.01 X 26 TRP CD1 C 13 127.13 0.01 X 26 TRP CE3 C 13 121.61 0.01 X 26 TRP CH2 C 13 125.38 0.01 X 26 TRP CZ2 C 13 115.17 0.01 X 26 TRP CZ3 C 13 122.67 0.01 X 27 ILE H H 1 8.27 0.01 X 27 ILE HA H 1 3.88 0.01 X 27 ILE HB H 1 1.92 0.01 X 27 ILE HD1% H 1 0.88 0.01 X 27 ILE HG1y H 1 1.65 0.01 X 27 ILE HG1x H 1 1.29 0.01 X 27 ILE HG2% H 1 0.96 0.01 X 27 ILE CA C 13 64.20 0.01 X 27 ILE CB C 13 39.54 0.01 X 27 ILE CD1 C 13 13.59 0.01 X 27 ILE CG1 C 13 28.91 0.01 X 27 ILE CG2 C 13 17.81 0.01 X 28 SER H H 1 7.72 0.01 X 28 SER HA H 1 4.32 0.01 X 28 SER HBy H 1 3.92 0.01 X 28 SER HBx H 1 3.82 0.01 X 28 SER CA C 13 60.23 0.01 X 28 SER CB C 13 64.92 0.01 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-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 X 1 SER HA X 2 ASP H 1.0 1.8 4.3 2 2 X 2 ASP H X 1 SER HB2 1.0 1.8 5.5 3 3 X 2 ASP H X 1 SER HB3 1.0 1.8 5.5 4 4 X 2 ASP H X 3 ALA H 1.0 1.8 4.3 5 5 X 3 ALA H X 2 ASP HB2 1.0 1.8 5.3 6 5 X 3 ALA H X 2 ASP HB3 1.0 1.8 5.3 7 6 X 3 ALA H X 4 ALA H 1.0 1.8 3.1 8 7 X 4 ALA H X 3 ALA HB% 1.0 1.8 4.1 9 8 X 4 ALA H X 5 ALA H 1.0 1.8 3.1 10 9 X 5 ALA H X 4 ALA HB% 1.0 1.8 4.1 11 10 X 4 ALA H X 6 ARG H 1.0 1.8 5.5 12 11 X 4 ALA HA X 7 VAL HB 1.0 1.8 3.1 13 12 X 5 ALA H X 6 ARG H 1.0 1.8 3.1 14 13 X 6 ARG H X 5 ALA HB% 1.0 1.8 4.1 15 14 X 5 ALA H X 7 VAL H 1.0 1.8 5.5 16 15 X 5 ALA HA X 8 THR H 1.0 1.8 3.1 17 16 X 5 ALA HA X 8 THR HB 1.0 1.8 3.1 18 17 X 5 ALA HA X 8 THR HG2% 1.0 1.8 6.5 19 18 X 6 ARG H X 7 VAL H 1.0 1.8 3.1 20 19 X 7 VAL H X 6 ARG HA 1.0 1.8 3.1 21 20 X 7 VAL H X 6 ARG HB2 1.0 1.8 4.1 22 20 X 7 VAL H X 6 ARG HB3 1.0 1.8 4.1 23 21 X 6 ARG H X 8 THR H 1.0 1.8 5.5 24 22 X 6 ARG HA X 9 ALA H 1.0 1.8 3.1 25 23 X 6 ARG HA X 9 ALA HB% 1.0 1.8 4.1 26 24 X 7 VAL H X 8 THR H 1.0 1.8 3.1 27 25 X 8 THR H X 7 VAL HA 1.0 1.8 5.5 28 26 X 7 VAL HB X 8 THR H 1.0 1.8 3.1 29 27 X 8 THR H X 7 VAL HGy% 1.0 1.8 6.5 30 28 X 8 THR H X 7 VAL HGx% 1.0 1.8 6.5 31 29 X 7 VAL H X 9 ALA H 1.0 1.8 5.5 32 30 X 9 ALA H X 7 VAL HA 1.0 1.8 5.5 33 31 X 7 VAL HA X 10 ILE H 1.0 1.8 4.3 34 32 X 7 VAL HA X 10 ILE HB 1.0 1.8 3.1 35 33 X 7 VAL HA X 11 LEU H 1.0 1.8 5.5 36 34 X 9 ALA H X 8 THR HA 1.0 1.8 3.1 37 35 X 8 THR HB X 9 ALA H 1.0 1.8 4.3 38 36 X 8 THR HG2% X 9 ALA H 1.0 1.8 5.3 39 37 X 10 ILE H X 8 THR HA 1.0 1.8 5.5 40 38 X 11 LEU H X 8 THR HA 1.0 1.8 5.5 41 39 X 8 THR HA X 11 LEU HBy 1.0 1.8 4.3 42 40 X 9 ALA H X 10 ILE H 1.0 1.8 3.1 43 41 X 10 ILE H X 9 ALA HA 1.0 1.8 3.1 44 42 X 9 ALA HB% X 10 ILE H 1.0 1.8 4.1 45 43 X 9 ALA H X 11 LEU H 1.0 1.8 5.5 46 44 X 11 LEU H X 9 ALA HA 1.0 1.8 4.3 47 45 X 9 ALA HA X 12 SER H 1.0 1.8 3.1 48 46 X 9 ALA HA X 13 SER H 1.0 1.8 5.5 49 47 X 10 ILE H X 11 LEU H 1.0 1.8 3.1 50 48 X 11 LEU H X 10 ILE HA 1.0 1.8 5.5 51 49 X 10 ILE HB X 11 LEU H 1.0 1.8 3.1 52 50 X 13 SER H X 10 ILE HA 1.0 1.8 4.3 53 51 X 10 ILE HA X 14 LEU H 1.0 1.8 5.5 54 52 X 11 LEU H X 12 SER H 1.0 1.8 3.1 55 53 X 12 SER H X 11 LEU HA 1.0 1.8 3.1 56 54 X 11 LEU HBy X 12 SER H 1.0 1.8 5.5 57 55 X 12 SER H X 11 LEU HBx 1.0 1.8 5.5 58 56 X 13 SER H X 11 LEU HA 1.0 1.8 5.5 59 57 X 12 SER H X 13 SER H 1.0 1.8 3.1 60 58 X 13 SER H X 12 SER HA 1.0 1.8 5.5 61 59 X 13 SER H X 12 SER HBx 1.0 1.8 6.5 62 59 X 13 SER H X 12 SER HBy 1.0 1.8 6.5 63 60 X 14 LEU H X 13 SER HBy 1.0 1.8 5.5 64 61 X 13 SER H X 14 LEU H 1.0 1.8 3.1 65 62 X 13 SER HA X 16 VAL H 1.0 1.8 5.5 66 63 X 13 SER HA X 16 VAL HB 1.0 1.8 3.1 67 64 X 13 SER HA X 16 VAL HGx% 1.0 1.8 6.5 68 65 X 13 SER HA X 16 VAL HGy% 1.0 1.8 6.5 69 66 X 13 SER HA X 17 THR H 1.0 1.8 5.5 70 67 X 14 LEU H X 15 THR H 1.0 1.8 3.1 71 68 X 15 THR H X 14 LEU HA 1.0 1.8 4.3 72 69 X 15 THR H X 14 LEU HBx 1.0 1.8 4.3 73 70 X 15 THR H X 14 LEU HBy 1.0 1.8 3.1 74 71 X 15 THR H X 14 LEU HD11 1.0 1.8 7.9 75 71 X 15 THR H X 14 LEU HD21 1.0 1.8 7.9 76 72 X 14 LEU H X 16 VAL H 1.0 1.8 5.5 77 73 X 17 THR H X 14 LEU HA 1.0 1.8 4.3 78 74 X 14 LEU HA X 17 THR HB 1.0 1.8 3.1 79 75 X 16 VAL H X 15 THR H 1.0 1.8 3.1 80 76 X 16 VAL H X 15 THR HA 1.0 1.8 5.5 81 77 X 16 VAL H X 15 THR HB 1.0 1.8 5.5 82 78 X 16 VAL H X 15 THR HG2% 1.0 1.8 6.5 83 79 X 15 THR HA X 18 GLN H 1.0 1.8 4.3 84 80 X 15 THR HA X 18 GLN HBy 1.0 1.8 4.3 85 81 X 15 THR HA X 18 GLN HBx 1.0 1.8 4.3 86 82 X 15 THR HA X 19 LEU H 1.0 1.8 5.5 87 83 X 16 VAL H X 17 THR H 1.0 1.8 3.1 88 84 X 17 THR H X 16 VAL HA 1.0 1.8 5.5 89 85 X 16 VAL HB X 17 THR H 1.0 1.8 3.1 90 86 X 16 VAL HGx% X 17 THR H 1.0 1.8 6.5 91 87 X 16 VAL HGy% X 17 THR H 1.0 1.8 5.3 92 88 X 16 VAL H X 18 GLN H 1.0 1.8 5.5 93 89 X 18 GLN H X 16 VAL HA 1.0 1.8 5.5 94 90 X 19 LEU H X 16 VAL HA 1.0 1.8 4.3 95 91 X 16 VAL HA X 19 LEU HB2 1.0 1.8 4.1 96 91 X 16 VAL HA X 19 LEU HB3 1.0 1.8 4.1 97 92 X 16 VAL HA X 19 LEU HG 1.0 1.8 5.5 98 93 X 16 VAL HA X 20 LEU H 1.0 1.8 5.5 99 94 X 17 THR H X 18 GLN H 1.0 1.8 3.1 100 95 X 18 GLN H X 17 THR HA 1.0 1.8 4.3 101 96 X 17 THR HB X 18 GLN H 1.0 1.8 5.5 102 97 X 18 GLN H X 17 THR HG2% 1.0 1.8 6.5 103 98 X 19 LEU H X 17 THR HA 1.0 1.8 5.5 104 99 X 20 LEU H X 17 THR HA 1.0 1.8 4.3 105 100 X 17 THR HA X 20 LEU HBy 1.0 1.8 4.3 106 101 X 17 THR HA X 20 LEU HBx 1.0 1.8 5.5 107 102 X 17 THR HA X 21 ARG H 1.0 1.8 5.5 108 103 X 18 GLN H X 19 LEU H 1.0 1.8 3.1 109 104 X 19 LEU H X 18 GLN HA 1.0 1.8 3.1 110 105 X 18 GLN HBx X 19 LEU H 1.0 1.8 3.1 111 106 X 18 GLN HBy X 19 LEU H 1.0 1.8 3.1 112 107 X 18 GLN H X 20 LEU H 1.0 1.8 5.5 113 108 X 21 ARG H X 18 GLN HA 1.0 1.8 3.1 114 109 X 18 GLN HA X 22 ARG H 1.0 1.8 5.5 115 110 X 19 LEU H X 20 LEU H 1.0 1.8 3.1 116 111 X 20 LEU H X 19 LEU HB2 1.0 1.8 4.1 117 111 X 19 LEU HB3 X 20 LEU H 1.0 1.8 4.1 118 112 X 20 LEU H X 21 ARG H 1.0 1.8 3.1 119 113 X 21 ARG H X 20 LEU HA 1.0 1.8 4.3 120 114 X 20 LEU HBx X 21 ARG H 1.0 1.8 5.5 121 115 X 20 LEU H X 22 ARG H 1.0 1.8 5.5 122 116 X 20 LEU HA X 23 LEU H 1.0 1.8 4.3 123 117 X 20 LEU HA X 23 LEU HBx 1.0 1.8 3.1 124 118 X 21 ARG H X 22 ARG H 1.0 1.8 3.1 125 119 X 22 ARG H X 21 ARG HA 1.0 1.8 4.3 126 120 X 21 ARG H X 23 LEU H 1.0 1.8 5.5 127 121 X 23 LEU H X 21 ARG HA 1.0 1.8 5.5 128 122 X 21 ARG HA X 24 HIS H 1.0 1.8 5.5 129 123 X 21 ARG HA X 24 HIS HB2 1.0 1.8 4.1 130 123 X 21 ARG HA X 24 HIS HB3 1.0 1.8 4.1 131 124 X 22 ARG H X 23 LEU H 1.0 1.8 3.1 132 125 X 23 LEU H X 22 ARG HA 1.0 1.8 4.3 133 126 X 23 LEU H X 22 ARG HBy 1.0 1.8 3.1 134 127 X 23 LEU H X 22 ARG HBx 1.0 1.8 3.1 135 128 X 22 ARG H X 24 HIS H 1.0 1.8 5.5 136 129 X 24 HIS H X 22 ARG HA 1.0 1.8 5.5 137 130 X 22 ARG HA X 25 GLN HBy 1.0 1.8 5.3 138 131 X 22 ARG HA X 25 GLN HBx 1.0 1.8 5.3 139 132 X 22 ARG HA X 26 TRP H 1.0 1.8 5.5 140 133 X 23 LEU H X 24 HIS H 1.0 1.8 3.1 141 134 X 24 HIS H X 23 LEU HA 1.0 1.8 5.5 142 135 X 23 LEU HBx X 24 HIS H 1.0 1.8 4.3 143 136 X 24 HIS H X 23 LEU HBy 1.0 1.8 4.3 144 137 X 23 LEU H X 25 GLN H 1.0 1.8 5.5 145 138 X 26 TRP H X 23 LEU HA 1.0 1.8 5.5 146 139 X 23 LEU HA X 26 TRP HBy 1.0 1.8 4.3 147 140 X 23 LEU HA X 26 TRP HBx 1.0 1.8 4.3 148 141 X 23 LEU HA X 27 ILE H 1.0 1.8 5.5 149 142 X 24 HIS H X 25 GLN H 1.0 1.8 3.1 150 143 X 25 GLN H X 24 HIS HA 1.0 1.8 5.5 151 144 X 25 GLN H X 24 HIS HB2 1.0 1.8 4.1 152 144 X 24 HIS HB3 X 25 GLN H 1.0 1.8 4.1 153 145 X 27 ILE H X 24 HIS HA 1.0 1.8 5.5 154 146 X 24 HIS HA X 27 ILE HB 1.0 1.8 3.1 155 147 X 24 HIS HA X 27 ILE HG1y 1.0 1.8 5.3 156 148 X 24 HIS HA X 27 ILE HD1% 1.0 1.8 5.3 157 149 X 24 HIS HA X 27 ILE HG2% 1.0 1.8 5.3 158 150 X 26 TRP H X 25 GLN H 1.0 1.8 3.1 159 151 X 26 TRP H X 25 GLN HA 1.0 1.8 5.5 160 152 X 25 GLN HBx X 26 TRP H 1.0 1.8 4.3 161 153 X 25 GLN HBy X 26 TRP H 1.0 1.8 4.3 162 154 X 27 ILE H X 25 GLN HA 1.0 1.8 5.5 163 155 X 25 GLN HA X 28 SER H 1.0 1.8 5.5 164 156 X 26 TRP HBy X 27 ILE H 1.0 1.8 4.3 165 157 X 26 TRP HBx X 27 ILE H 1.0 1.8 4.3 166 158 X 26 TRP H X 28 SER H 1.0 1.8 5.5 167 159 X 27 ILE H X 28 SER H 1.0 1.8 3.1 168 160 X 28 SER H X 27 ILE HA 1.0 1.8 4.3 169 161 X 27 ILE HB X 28 SER H 1.0 1.8 4.3 170 162 X 27 ILE HG1y X 28 SER H 1.0 1.8 5.5 171 163 X 27 ILE HG2% X 28 SER H 1.0 1.8 6.5 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_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 X 2 ASP C X 3 ALA N X 3 ALA CA X 3 ALA C 1.0 -73.4 -52.6 PHI 2 2 X 3 ALA N X 3 ALA CA X 3 ALA C X 4 ALA N 1.0 -49.9 -31.1 PSI 3 3 X 3 ALA C X 4 ALA N X 4 ALA CA X 4 ALA C 1.0 -64.6 -56.2 PHI 4 4 X 4 ALA N X 4 ALA CA X 4 ALA C X 5 ALA N 1.0 -52.3 -40.5 PSI 5 5 X 4 ALA C X 5 ALA N X 5 ALA CA X 5 ALA C 1.0 -66.8 -59.2 PHI 6 6 X 5 ALA N X 5 ALA CA X 5 ALA C X 6 ARG N 1.0 -50.1 -34.7 PSI 7 7 X 5 ALA C X 6 ARG N X 6 ARG CA X 6 ARG C 1.0 -66.5 -59.9 PHI 8 8 X 6 ARG N X 6 ARG CA X 6 ARG C X 7 VAL N 1.0 -47.1 -36.7 PSI 9 9 X 6 ARG C X 7 VAL N X 7 VAL CA X 7 VAL C 1.0 -67.5 -54.3 PHI 10 10 X 7 VAL N X 7 VAL CA X 7 VAL C X 8 THR N 1.0 -49.5 -40.9 PSI 11 11 X 7 VAL C X 8 THR N X 8 THR CA X 8 THR C 1.0 -69.6 -59.2 PHI 12 12 X 8 THR N X 8 THR CA X 8 THR C X 9 ALA N 1.0 -50.0 -39.4 PSI 13 13 X 8 THR C X 9 ALA N X 9 ALA CA X 9 ALA C 1.0 -65.0 -55.6 PHI 14 14 X 9 ALA N X 9 ALA CA X 9 ALA C X 10 ILE N 1.0 -49.8 -34.2 PSI 15 15 X 9 ALA C X 10 ILE N X 10 ILE CA X 10 ILE C 1.0 -67.8 -57.0 PHI 16 16 X 10 ILE N X 10 ILE CA X 10 ILE C X 11 LEU N 1.0 -52.5 -40.9 PSI 17 17 X 10 ILE C X 11 LEU N X 11 LEU CA X 11 LEU C 1.0 -62.7 -55.9 PHI 18 18 X 11 LEU N X 11 LEU CA X 11 LEU C X 12 SER N 1.0 -51.1 -41.5 PSI 19 19 X 11 LEU C X 12 SER N X 12 SER CA X 12 SER C 1.0 -67.5 -58.9 PHI 20 20 X 12 SER N X 12 SER CA X 12 SER C X 13 SER N 1.0 -45.1 -33.1 PSI 21 21 X 12 SER C X 13 SER N X 13 SER CA X 13 SER C 1.0 -72.3 -58.3 PHI 22 22 X 13 SER N X 13 SER CA X 13 SER C X 14 LEU N 1.0 -47.6 -33.6 PSI 23 23 X 13 SER C X 14 LEU N X 14 LEU CA X 14 LEU C 1.0 -68.5 -59.7 PHI 24 24 X 14 LEU N X 14 LEU CA X 14 LEU C X 15 THR N 1.0 -47.7 -36.1 PSI 25 25 X 14 LEU C X 15 THR N X 15 THR CA X 15 THR C 1.0 -68.1 -53.9 PHI 26 26 X 15 THR N X 15 THR CA X 15 THR C X 16 VAL N 1.0 -50.6 -41.6 PSI 27 27 X 15 THR C X 16 VAL N X 16 VAL CA X 16 VAL C 1.0 -69.3 -55.5 PHI 28 28 X 16 VAL N X 16 VAL CA X 16 VAL C X 17 THR N 1.0 -48.6 -42.6 PSI 29 29 X 16 VAL C X 17 THR N X 17 THR CA X 17 THR C 1.0 -68.8 -60.8 PHI 30 30 X 17 THR N X 17 THR CA X 17 THR C X 18 GLN N 1.0 -47.9 -39.7 PSI 31 31 X 17 THR C X 18 GLN N X 18 GLN CA X 18 GLN C 1.0 -64.0 -56.4 PHI 32 32 X 18 GLN N X 18 GLN CA X 18 GLN C X 19 LEU N 1.0 -49.0 -41.2 PSI 33 33 X 18 GLN C X 19 LEU N X 19 LEU CA X 19 LEU C 1.0 -65.9 -54.9 PHI 34 34 X 19 LEU N X 19 LEU CA X 19 LEU C X 20 LEU N 1.0 -47.4 -37.8 PSI 35 35 X 19 LEU C X 20 LEU N X 20 LEU CA X 20 LEU C 1.0 -64.8 -56.0 PHI 36 36 X 20 LEU N X 20 LEU CA X 20 LEU C X 21 ARG N 1.0 -49.8 -41.0 PSI 37 37 X 20 LEU C X 21 ARG N X 21 ARG CA X 21 ARG C 1.0 -68.1 -58.3 PHI 38 38 X 21 ARG N X 21 ARG CA X 21 ARG C X 22 ARG N 1.0 -47.5 -32.7 PSI 39 39 X 21 ARG C X 22 ARG N X 22 ARG CA X 22 ARG C 1.0 -65.6 -61.6 PHI 40 40 X 22 ARG N X 22 ARG CA X 22 ARG C X 23 LEU N 1.0 -47.8 -37.6 PSI 41 41 X 22 ARG C X 23 LEU N X 23 LEU CA X 23 LEU C 1.0 -67.8 -57.0 PHI 42 42 X 23 LEU N X 23 LEU CA X 23 LEU C X 24 HIS N 1.0 -49.8 -34.2 PSI 43 43 X 23 LEU C X 24 HIS N X 24 HIS CA X 24 HIS C 1.0 -65.0 -55.2 PHI 44 44 X 24 HIS N X 24 HIS CA X 24 HIS C X 25 GLN N 1.0 -52.1 -40.1 PSI 45 45 X 24 HIS C X 25 GLN N X 25 GLN CA X 25 GLN C 1.0 -73.4 -58.0 PHI 46 46 X 25 GLN N X 25 GLN CA X 25 GLN C X 26 TRP N 1.0 -46.6 -35.2 PSI 47 47 X 25 GLN C X 26 TRP N X 26 TRP CA X 26 TRP C 1.0 -69.2 -58.2 PHI 48 48 X 26 TRP N X 26 TRP CA X 26 TRP C X 27 ILE N 1.0 -47.2 -25.8 PSI 49 49 X 26 TRP C X 27 ILE N X 27 ILE CA X 27 ILE C 1.0 -83.4 -63.8 PHI 50 50 X 27 ILE N X 27 ILE CA X 27 ILE C X 28 SER N 1.0 -52.0 -29.2 PSI stop_ save_