data_nef_c18335_2lqy 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 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 HIS start . . 2 A 2 GLY middle . false 3 A 3 LEU middle . . 4 A 4 ALA middle . . 5 A 5 SER middle . . 6 A 6 THR middle . . 7 A 7 LEU middle . . 8 A 8 THR middle . . 9 A 9 ARG middle . . 10 A 10 TRP middle . . 11 A 11 ALA middle . . 12 A 12 HIS middle . . 13 A 13 TYR middle . . 14 A 14 ASN middle . . 15 A 15 ALA middle . . 16 A 16 LEU middle . . 17 A 17 ILE middle . . 18 A 18 ARG middle . . 19 A 19 ALA middle . . 20 A 20 PHE 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 HIS HBy H 1 3.27 0.01 A 1 HIS HBx H 1 3.07 0.01 A 1 HIS HD2 H 1 7.30 0.01 A 1 HIS HE1 H 1 8.35 0.01 A 2 GLY H H 1 8.14 0.01 A 2 GLY HAy H 1 4.19 0.01 A 2 GLY HAx H 1 3.81 0.01 A 3 LEU H H 1 9.04 0.01 A 3 LEU HA H 1 4.04 0.01 A 3 LEU HBx H 1 1.66 0.01 A 3 LEU HDx% H 1 0.80 0.01 A 3 LEU HG H 1 1.55 0.01 A 4 ALA H H 1 8.79 0.01 A 4 ALA HA H 1 3.93 0.01 A 4 ALA HB% H 1 1.39 0.01 A 5 SER H H 1 7.83 0.01 A 5 SER HA H 1 3.90 0.01 A 5 SER HBy H 1 3.86 0.01 A 5 SER HBx H 1 3.83 0.01 A 6 THR H H 1 8.01 0.01 A 6 THR HA H 1 3.90 0.01 A 6 THR HG2% H 1 1.17 0.01 A 7 LEU H H 1 7.60 0.01 A 7 LEU HA H 1 4.03 0.01 A 7 LEU HBx H 1 1.72 0.01 A 7 LEU HDx% H 1 1.22 0.01 A 7 LEU HG H 1 1.57 0.01 A 8 THR H H 1 7.42 0.01 A 8 THR HA H 1 4.05 0.01 A 8 THR HB H 1 3.87 0.01 A 9 ARG H H 1 7.65 0.01 A 9 ARG HA H 1 4.04 0.01 A 9 ARG HBy H 1 1.79 0.01 A 9 ARG HGx H 1 1.62 0.01 A 10 TRP H H 1 7.94 0.01 A 10 TRP HA H 1 4.49 0.01 A 10 TRP HBx H 1 3.21 0.01 A 10 TRP HBy H 1 3.40 0.01 A 10 TRP HD1 H 1 7.27 0.01 A 10 TRP HE1 H 1 10.55 0.01 A 10 TRP HH2 H 1 7.33 0.01 A 10 TRP HZ2 H 1 7.35 0.01 A 11 ALA H H 1 8.20 0.01 A 11 ALA HA H 1 3.95 0.01 A 11 ALA HB% H 1 1.30 0.01 A 12 HIS H H 1 7.53 0.01 A 12 HIS HA H 1 4.37 0.01 A 12 HIS HBx H 1 2.78 0.01 A 12 HIS HBy H 1 3.09 0.01 A 12 HIS HD2 H 1 6.90 0.01 A 12 HIS HE1 H 1 8.45 0.01 A 13 TYR H H 1 8.02 0.01 A 13 TYR HA H 1 4.02 0.01 A 13 TYR HBy H 1 3.04 0.01 A 13 TYR HDy H 1 6.99 0.01 A 13 TYR HEy H 1 6.71 0.01 A 14 ASN H H 1 8.18 0.01 A 14 ASN HA H 1 4.25 0.01 A 14 ASN HBy H 1 2.52 0.01 A 14 ASN HD2x H 1 6.66 0.01 A 14 ASN HD2y H 1 7.32 0.01 A 15 ALA H H 1 7.77 0.01 A 15 ALA HA H 1 4.00 0.01 A 15 ALA HB% H 1 1.35 0.01 A 16 LEU H H 1 7.83 0.01 A 16 LEU HA H 1 4.11 0.01 A 16 LEU HBx H 1 1.72 0.01 A 16 LEU HDx% H 1 0.96 0.01 A 17 ILE H H 1 7.52 0.01 A 17 ILE HA H 1 3.86 0.01 A 17 ILE HB H 1 1.81 0.01 A 17 ILE HD1% H 1 0.78 0.01 A 17 ILE HG1y H 1 1.57 0.01 A 17 ILE HG1x H 1 1.12 0.01 A 18 ARG H H 1 7.64 0.01 A 18 ARG HA H 1 4.06 0.01 A 18 ARG HBx H 1 1.70 0.01 A 18 ARG HGx H 1 1.35 0.01 A 19 ALA H H 1 7.59 0.01 A 19 ALA HA H 1 4.13 0.01 A 19 ALA HB% H 1 1.22 0.01 A 20 PHE H H 1 7.41 0.01 A 20 PHE HA H 1 4.35 0.01 A 20 PHE HBx H 1 2.94 0.01 A 20 PHE HBy H 1 3.13 0.01 A 20 PHE HDy H 1 6.83 0.01 A 20 PHE HEy H 1 6.96 0.01 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 2 GLY H A 2 GLY HAx 1.0 . 2.83 2 2 A 3 LEU H A 3 LEU HA 1.0 . 2.90 3 3 A 3 LEU H A 3 LEU HBx 1.0 . 4.65 4 3 A 3 LEU H A 3 LEU HBy 1.0 . 4.65 5 4 A 4 ALA H A 4 ALA HA 1.0 . 2.59 6 5 A 7 LEU H A 7 LEU HA 1.0 . 3.52 7 6 A 9 ARG H A 9 ARG HA 1.0 . 2.96 8 7 A 10 TRP H A 10 TRP HBx 1.0 . 2.99 9 8 A 10 TRP H A 10 TRP HBy 1.0 . 3.11 10 9 A 12 HIS H A 12 HIS HBx 1.0 . 3.39 11 10 A 12 HIS H A 12 HIS HBy 1.0 . 4.82 12 11 A 14 ASN H A 14 ASN HA 1.0 . 3.45 13 12 A 14 ASN H A 14 ASN HBx 1.0 . 4.25 14 12 A 14 ASN H A 14 ASN HBy 1.0 . 4.25 15 13 A 16 LEU H A 16 LEU HBx 1.0 . 4.34 16 13 A 16 LEU H A 16 LEU HBy 1.0 . 4.34 17 14 A 20 PHE H A 20 PHE HBx 1.0 . 3.17 18 15 A 20 PHE H A 20 PHE HBy 1.0 . 2.93 19 16 A 3 LEU H A 4 ALA H 1.0 . 2.99 20 17 A 2 GLY H A 4 ALA H 1.0 . 2.86 21 18 A 2 GLY H A 5 SER H 1.0 . 2.83 22 19 A 5 SER H A 6 THR H 1.0 . 2.68 23 20 A 6 THR H A 6 THR HA 1.0 . 2.74 24 21 A 14 ASN H A 13 TYR H 1.0 . 2.82 25 22 A 9 ARG H A 10 TRP H 1.0 . 2.81 26 23 A 10 TRP H A 11 ALA H 1.0 . 2.90 27 24 A 16 LEU H A 17 ILE H 1.0 . 2.83 28 25 A 7 LEU H A 8 THR H 1.0 . 2.90 29 26 A 17 ILE H A 17 ILE HB 1.0 . 2.55 30 27 A 14 ASN H A 15 ALA H 1.0 . 2.86 31 28 A 12 HIS H A 13 TYR H 1.0 . 2.83 32 29 A 5 SER H A 5 SER HBy 1.0 . 2.86 33 30 A 5 SER H A 5 SER HBx 1.0 . 3.08 34 31 A 13 TYR H A 13 TYR HBx 1.0 . 4.34 35 31 A 13 TYR H A 13 TYR HBy 1.0 . 4.34 36 32 A 15 ALA H A 14 ASN HBx 1.0 . 4.20 37 32 A 14 ASN HBy A 15 ALA H 1.0 . 4.20 38 33 A 14 ASN H A 13 TYR HBx 1.0 . 4.10 39 33 A 14 ASN H A 13 TYR HBy 1.0 . 4.10 40 34 A 11 ALA H A 10 TRP HBx 1.0 . 4.10 41 34 A 11 ALA H A 10 TRP HBy 1.0 . 4.10 42 35 A 4 ALA H A 3 LEU HBx 1.0 . 5.64 43 35 A 3 LEU HBy A 4 ALA H 1.0 . 5.64 44 36 A 12 HIS H A 11 ALA H 1.0 . 3.11 45 37 A 9 ARG H A 11 ALA H 1.0 . 4.04 46 38 A 13 TYR H A 11 ALA H 1.0 . 4.32 47 39 A 17 ILE H A 15 ALA H 1.0 . 4.20 48 40 A 5 SER H A 2 GLY HAy 1.0 . 2.96 49 41 A 7 LEU H A 7 LEU HBx 1.0 . 5.46 50 41 A 7 LEU H A 7 LEU HBy 1.0 . 5.46 51 42 A 20 PHE H A 19 ALA H 1.0 . 3.08 52 43 A 10 TRP H A 9 ARG HBx 1.0 . 5.18 53 43 A 10 TRP H A 9 ARG HBy 1.0 . 5.18 54 44 A 9 ARG H A 9 ARG HBx 1.0 . 4.34 55 44 A 9 ARG H A 9 ARG HBy 1.0 . 4.34 56 45 A 17 ILE H A 18 ARG H 1.0 . 2.80 57 46 A 7 LEU H A 6 THR HA 1.0 . 3.42 58 47 A 7 LEU H A 5 SER HA 1.0 . 4.40 59 48 A 7 LEU H A 6 THR H 1.0 . 2.96 60 49 A 3 LEU HA A 6 THR H 1.0 . 3.27 61 50 A 6 THR H A 5 SER HBy 1.0 . 3.95 62 51 A 6 THR HA A 8 THR H 1.0 . 3.42 63 52 A 10 TRP H A 8 THR H 1.0 . 4.20 64 53 A 10 TRP H A 12 HIS H 1.0 . 4.20 65 54 A 9 ARG H A 8 THR H 1.0 . 3.08 66 55 A 18 ARG H A 18 ARG HA 1.0 . 3.83 67 56 A 18 ARG H A 18 ARG HBx 1.0 . 4.56 68 56 A 18 ARG H A 18 ARG HBy 1.0 . 4.56 69 57 A 16 LEU H A 15 ALA HA 1.0 . 3.61 70 58 A 16 LEU H A 18 ARG H 1.0 . 4.00 71 59 A 9 ARG H A 8 THR HA 1.0 . 3.39 72 60 A 9 ARG H A 8 THR HB 1.0 . 3.73 73 61 A 13 TYR H A 13 TYR HBx 1.0 . 3.27 74 61 A 13 TYR H A 13 TYR HBy 1.0 . 3.27 75 62 A 4 ALA HA A 5 SER H 1.0 . 3.64 76 63 A 5 SER H A 5 SER HA 1.0 . 3.55 77 64 A 7 LEU HA A 9 ARG H 1.0 . 3.98 78 65 A 4 ALA HA A 7 LEU HBx 1.0 . 4.49 79 65 A 4 ALA HA A 7 LEU HBy 1.0 . 4.49 80 66 A 12 HIS H A 11 ALA HA 1.0 . 3.27 81 67 A 8 THR H A 5 SER HA 1.0 . 3.05 82 68 A 9 ARG HA A 12 HIS HBx 1.0 . 3.45 83 69 A 13 TYR HA A 16 LEU HBx 1.0 . 5.58 84 69 A 16 LEU HBy A 13 TYR HA 1.0 . 5.58 85 70 A 3 LEU HA A 3 LEU HBx 1.0 . 5.80 86 70 A 3 LEU HA A 3 LEU HBy 1.0 . 5.80 87 71 A 6 THR HA A 3 LEU HBx 1.0 . 6.02 88 71 A 3 LEU HBy A 6 THR HA 1.0 . 6.02 89 72 A 7 LEU HA A 10 TRP HBx 1.0 . 3.52 90 73 A 14 ASN HA A 13 TYR HBx 1.0 . 5.58 91 73 A 14 ASN HA A 13 TYR HBy 1.0 . 5.58 92 74 A 18 ARG H A 17 ILE HA 1.0 . 3.17 93 75 A 2 GLY HAx A 2 GLY HAy 1.0 . 3.33 94 76 A 14 ASN HA A 17 ILE HA 1.0 . 4.37 95 77 A 18 ARG HA A 18 ARG HBx 1.0 . 5.21 96 77 A 18 ARG HA A 18 ARG HBy 1.0 . 5.21 97 78 A 9 ARG HA A 9 ARG HBx 1.0 . 5.77 98 78 A 9 ARG HA A 9 ARG HBy 1.0 . 5.77 99 79 A 3 LEU H A 3 LEU HG 1.0 . 3.05 100 80 A 13 TYR H A 13 TYR HD% 1.0 . 7.95 101 81 A 17 ILE H A 17 ILE HG1y 1.0 . 3.05 102 82 A 17 ILE H A 17 ILE HG1x 1.0 . 3.48 103 83 A 10 TRP HE1 A 10 TRP HZ2 1.0 . 2.90 104 84 A 10 TRP HE1 A 10 TRP HD1 1.0 . 3.02 105 85 A 13 TYR HD% A 13 TYR HBx 1.0 . 8.93 106 85 A 13 TYR HBy A 13 TYR HD% 1.0 . 8.93 107 86 A 10 TRP H A 10 TRP HD1 1.0 . 4.14 108 87 A 10 TRP HE1 A 10 TRP HH2 1.0 . 2.99 109 88 A 10 TRP HZ2 A 10 TRP HD1 1.0 . 3.48 110 89 A 10 TRP HD1 A 10 TRP HBx 1.0 . 3.33 111 90 A 10 TRP HBy A 10 TRP HD1 1.0 . 4.07 112 91 A 20 PHE H A 20 PHE HD% 1.0 . 7.01 113 92 A 20 PHE H A 20 PHE HE% 1.0 . 8.47 114 93 A 4 ALA H A 3 LEU HG 1.0 . 4.01 115 94 A 5 SER H A 3 LEU HG 1.0 . 4.26 116 95 A 11 ALA H A 10 TRP HD1 1.0 . 4.14 117 96 A 11 ALA H A 13 TYR HD% 1.0 . 8.48 118 97 A 12 HIS H A 12 HIS HD2 1.0 . 4.07 119 98 A 10 TRP HH2 A 14 ASN HBx 1.0 . 6.39 120 98 A 14 ASN HBy A 10 TRP HH2 1.0 . 6.39 121 99 A 14 ASN H A 10 TRP HH2 1.0 . 4.79 122 100 A 7 LEU H A 7 LEU HG 1.0 . 3.89 123 101 A 9 ARG H A 9 ARG HGx 1.0 . 5.40 124 101 A 9 ARG H A 9 ARG HGy 1.0 . 5.40 125 102 A 18 ARG H A 18 ARG HGx 1.0 . 5.74 126 102 A 18 ARG H A 18 ARG HGy 1.0 . 5.74 127 103 A 10 TRP HD1 A 9 ARG HBx 1.0 . 5.64 128 103 A 9 ARG HBy A 10 TRP HD1 1.0 . 5.64 129 104 A 13 TYR HD% A 13 TYR HBx 1.0 . 8.38 130 104 A 13 TYR HBy A 13 TYR HD% 1.0 . 8.38 131 105 A 4 ALA H A 4 ALA HB% 1.0 . 5.08 132 106 A 7 LEU H A 7 LEU HDx% 1.0 . 4.46 133 107 A 15 ALA H A 15 ALA HB% 1.0 . 4.46 134 108 A 16 LEU H A 16 LEU HDx% 1.0 . 5.05 135 109 A 17 ILE H A 17 ILE HD1% 1.0 . 5.42 136 110 A 2 GLY H A 4 ALA HB% 1.0 . 5.33 137 111 A 5 SER H A 6 THR HG2% 1.0 . 5.79 138 112 A 18 ARG H A 15 ALA HB% 1.0 . 4.95 139 113 A 17 ILE H A 15 ALA HB% 1.0 . 5.51 140 114 A 5 SER H A 4 ALA HB% 1.0 . 6.07 141 115 A 8 THR H A 7 LEU HDx% 1.0 . 6.29 142 116 A 20 PHE H A 19 ALA HB% 1.0 . 5.57 143 117 A 18 ARG H A 17 ILE HD1% 1.0 . 6.44 144 118 A 20 PHE HBx A 19 ALA HB% 1.0 . 6.19 145 119 A 11 ALA HA A 11 ALA HB% 1.0 . 5.02 146 120 A 4 ALA HA A 4 ALA HB% 1.0 . 4.86 147 121 A 19 ALA H A 19 ALA HB% 1.0 . 5.14 148 122 A 2 GLY HAx A 6 THR HG2% 1.0 . 4.92 stop_ save_