data_nef_c30443_6ctg 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 6CTG 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 10 ARG C 1 11 NH2 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 SER start . . 2 A 2 ARG middle . . 3 A 3 SER middle . . 4 A 4 GLU middle . . 5 A 5 LEU middle . . 6 A 6 ILE middle . . 7 A 7 VAL middle . . 8 A 8 HIS middle . . 9 A 9 GLN middle . . 10 A 10 ARG middle -OXT . 11 A 11 NH2 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 SER HA H 1 4.2700 0.0000 A 1 SER HB2 H 1 4.0600 0.0000 A 1 SER CA C 13 57.3850 0.0000 A 1 SER CB C 13 63.2250 0.0000 A 2 ARG H H 1 8.6700 0.0000 A 2 ARG HA H 1 4.4400 0.0000 A 2 ARG HB2 H 1 1.9000 0.0000 A 2 ARG HD2 H 1 3.2000 0.0000 A 2 ARG HE H 1 7.1500 0.0000 A 2 ARG HG2 H 1 1.7200 0.0000 A 2 ARG CA C 13 56.8020 0.0000 A 2 ARG CG C 13 27.6850 0.0000 A 2 ARG N N 15 119.7960 0.0000 A 3 SER H H 1 8.3200 0.0000 A 3 SER HA H 1 4.3500 0.0000 A 3 SER HB2 H 1 3.8900 0.0000 A 3 SER CA C 13 59.2980 0.0000 A 3 SER CB C 13 63.5890 0.0000 A 3 SER N N 15 116.9210 0.0000 A 4 GLU H H 1 8.0400 0.0000 A 4 GLU HA H 1 4.3500 0.0000 A 4 GLU HB2 H 1 2.0300 0.0000 A 4 GLU HG2 H 1 2.4300 0.0000 A 4 GLU CA C 13 56.1720 0.0000 A 4 GLU CB C 13 28.6570 0.0000 A 4 GLU CG C 13 33.4170 0.0000 A 4 GLU N N 15 119.1630 0.0000 A 5 LEU H H 1 8.0200 0.0000 A 5 LEU HA H 1 4.2500 0.0000 A 5 LEU HB2 H 1 1.6900 0.0000 A 5 LEU HD1% H 1 0.9300 0.0000 A 5 LEU HD2% H 1 0.8600 0.0000 A 5 LEU HG H 1 1.6100 0.0000 A 5 LEU CA C 13 56.3650 0.0000 A 5 LEU CB C 13 37.5730 0.0000 A 5 LEU CG C 13 30.8620 0.0000 A 5 LEU N N 15 119.7090 0.0000 A 6 ILE H H 1 7.6900 0.0000 A 6 ILE HA H 1 4.1300 0.0000 A 6 ILE HB H 1 1.9100 0.0000 A 6 ILE HD1% H 1 0.8500 0.0000 A 6 ILE HG12 H 1 1.1700 0.0000 A 6 ILE CA C 13 61.3500 0.0000 A 6 ILE CB C 13 38.7320 0.0000 A 6 ILE N N 15 117.7860 0.0000 A 7 VAL H H 1 7.7700 0.0000 A 7 VAL HA H 1 4.0400 0.0000 A 7 VAL HB H 1 2.0700 0.0000 A 7 VAL HG1% H 1 0.8900 0.0000 A 7 VAL HG2% H 1 0.8500 0.0000 A 7 VAL CB C 13 32.3288 0.0000 A 7 VAL N N 15 119.3750 0.0000 A 8 HIS H H 1 8.0400 0.0000 A 8 HIS HA H 1 4.6800 0.0000 A 8 HIS HB2 H 1 3.2600 0.0000 A 8 HIS HD1 H 1 7.3900 0.0000 A 8 HIS HD2 H 1 7.3900 0.0000 A 8 HIS HE1 H 1 8.6600 0.0000 A 8 HIS HE2 H 1 8.6600 0.0000 A 8 HIS CB C 13 28.9462 0.0000 A 8 HIS N N 15 118.9420 0.0000 A 9 GLN H H 1 8.1900 0.0000 A 9 GLN HA H 1 4.3600 0.0000 A 9 GLN HB2 H 1 1.9900 0.0000 A 9 GLN HE21 H 1 7.4900 0.0000 A 9 GLN HE22 H 1 6.7800 0.0000 A 9 GLN HG2 H 1 2.3500 0.0000 A 9 GLN CA C 13 56.1740 0.0000 A 9 GLN CB C 13 29.7680 0.0000 A 9 GLN CG C 13 31.8580 0.0000 A 9 GLN N N 15 119.1730 0.0000 A 10 ARG HA H 1 4.2700 0.0000 A 10 ARG HB2 H 1 1.9300 0.0000 A 10 ARG HD2 H 1 3.1900 0.0000 A 10 ARG HE H 1 7.1100 0.0000 A 10 ARG HG2 H 1 1.6900 0.0000 A 10 ARG CA C 13 56.3860 0.0000 A 10 ARG CB C 13 28.9180 0.0000 A 10 ARG CG C 13 30.6910 0.0000 A 10 ARG N N 15 121.2430 0.0000 A 11 NH2 HN1 H 1 8.1400 0.0000 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _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 A 1 SER HA A 1 SER HB2 1.0 1.8 2.8 2 1 A 1 SER HA A 1 SER HBy 1.0 1.8 2.8 3 2 A 1 SER HA A 1 SER HB2 1.0 1.8 2.8 4 2 A 1 SER HA A 1 SER HBy 1.0 1.8 2.8 5 3 A 2 ARG H A 2 ARG HA 1.0 1.8 3.4 6 4 A 2 ARG H A 2 ARG HB2 1.0 1.8 5.0 7 4 A 2 ARG H A 2 ARG HBy 1.0 1.8 5.0 8 5 A 2 ARG H A 2 ARG HG2 1.0 1.8 5.0 9 5 A 2 ARG H A 2 ARG HGy 1.0 1.8 5.0 10 6 A 2 ARG H A 2 ARG HG2 1.0 1.8 5.0 11 6 A 2 ARG H A 2 ARG HGy 1.0 1.8 5.0 12 7 A 2 ARG H A 2 ARG HB2 1.0 1.8 5.0 13 7 A 2 ARG H A 2 ARG HBy 1.0 1.8 5.0 14 8 A 2 ARG HA A 2 ARG HB2 1.0 1.8 3.4 15 8 A 2 ARG HA A 2 ARG HBy 1.0 1.8 3.4 16 9 A 2 ARG HB2 A 2 ARG HD2 1.0 1.8 3.4 17 9 A 2 ARG HDy A 2 ARG HB2 1.0 1.8 3.4 18 9 A 2 ARG HBy A 2 ARG HDy 1.0 1.8 3.4 19 9 A 2 ARG HBy A 2 ARG HD2 1.0 1.8 3.4 20 10 A 2 ARG HB2 A 2 ARG HG2 1.0 1.8 3.4 21 10 A 2 ARG HBy A 2 ARG HG2 1.0 1.8 3.4 22 10 A 2 ARG HGy A 2 ARG HB2 1.0 1.8 3.4 23 10 A 2 ARG HBy A 2 ARG HGy 1.0 1.8 3.4 24 11 A 2 ARG HE A 2 ARG HD2 1.0 1.8 3.4 25 11 A 2 ARG HDy A 2 ARG HE 1.0 1.8 3.4 26 12 A 2 ARG HE A 2 ARG HD2 1.0 1.8 3.4 27 12 A 2 ARG HDy A 2 ARG HE 1.0 1.8 3.4 28 13 A 2 ARG HE A 2 ARG HB2 1.0 1.8 5.0 29 13 A 2 ARG HBy A 2 ARG HE 1.0 1.8 5.0 30 14 A 2 ARG HE A 2 ARG HB2 1.0 1.8 5.0 31 14 A 2 ARG HBy A 2 ARG HE 1.0 1.8 5.0 32 15 A 2 ARG HB2 A 2 ARG HD2 1.0 1.8 3.4 33 15 A 2 ARG HDy A 2 ARG HB2 1.0 1.8 3.4 34 15 A 2 ARG HBy A 2 ARG HDy 1.0 1.8 3.4 35 15 A 2 ARG HBy A 2 ARG HD2 1.0 1.8 3.4 36 16 A 2 ARG HDy A 2 ARG HG2 1.0 1.8 2.8 37 16 A 2 ARG HD2 A 2 ARG HG2 1.0 1.8 2.8 38 16 A 2 ARG HGy A 2 ARG HD2 1.0 1.8 2.8 39 16 A 2 ARG HGy A 2 ARG HDy 1.0 1.8 2.8 40 17 A 2 ARG HB2 A 2 ARG HG2 1.0 1.8 3.4 41 17 A 2 ARG HBy A 2 ARG HG2 1.0 1.8 3.4 42 17 A 2 ARG HGy A 2 ARG HB2 1.0 1.8 3.4 43 17 A 2 ARG HBy A 2 ARG HGy 1.0 1.8 3.4 44 18 A 2 ARG H A 2 ARG HA 1.0 1.8 3.4 45 19 A 3 SER H A 3 SER HA 1.0 1.8 3.4 46 20 A 3 SER H A 3 SER HB2 1.0 1.8 5.0 47 20 A 3 SER H A 3 SER HBy 1.0 1.8 5.0 48 21 A 3 SER HA A 3 SER HB2 1.0 1.8 2.8 49 21 A 3 SER HA A 3 SER HBy 1.0 1.8 2.8 50 22 A 3 SER H A 3 SER HB2 1.0 1.8 5.0 51 22 A 3 SER H A 3 SER HBy 1.0 1.8 5.0 52 23 A 3 SER H A 3 SER HA 1.0 1.8 3.4 53 24 A 4 GLU H A 4 GLU HA 1.0 1.8 2.8 54 25 A 4 GLU H A 4 GLU HG2 1.0 1.8 3.4 55 25 A 4 GLU H A 4 GLU HGy 1.0 1.8 3.4 56 26 A 4 GLU H A 4 GLU HB2 1.0 1.8 5.0 57 26 A 4 GLU H A 4 GLU HBy 1.0 1.8 5.0 58 27 A 4 GLU HA A 4 GLU HB2 1.0 1.8 2.8 59 27 A 4 GLU HA A 4 GLU HBy 1.0 1.8 2.8 60 28 A 4 GLU HB2 A 4 GLU HG2 1.0 1.8 2.8 61 28 A 4 GLU HBy A 4 GLU HG2 1.0 1.8 2.8 62 28 A 4 GLU HGy A 4 GLU HB2 1.0 1.8 2.8 63 28 A 4 GLU HGy A 4 GLU HBy 1.0 1.8 2.8 64 29 A 4 GLU H A 4 GLU HG2 1.0 1.8 3.4 65 29 A 4 GLU H A 4 GLU HGy 1.0 1.8 3.4 66 30 A 4 GLU H A 4 GLU HB2 1.0 1.8 5.0 67 30 A 4 GLU H A 4 GLU HBy 1.0 1.8 5.0 68 31 A 4 GLU HA A 4 GLU HB2 1.0 1.8 2.8 69 31 A 4 GLU HA A 4 GLU HBy 1.0 1.8 2.8 70 32 A 4 GLU HB2 A 4 GLU HG2 1.0 1.8 2.8 71 32 A 4 GLU HBy A 4 GLU HG2 1.0 1.8 2.8 72 32 A 4 GLU HGy A 4 GLU HB2 1.0 1.8 2.8 73 32 A 4 GLU HGy A 4 GLU HBy 1.0 1.8 2.8 74 33 A 4 GLU H A 4 GLU HA 1.0 1.8 2.8 75 34 A 5 LEU H A 5 LEU HA 1.0 1.8 3.4 76 35 A 5 LEU H A 5 LEU HB2 1.0 1.8 5.0 77 35 A 5 LEU H A 5 LEU HBy 1.0 1.8 5.0 78 36 A 5 LEU HA A 5 LEU HB2 1.0 1.8 3.4 79 36 A 5 LEU HA A 5 LEU HBy 1.0 1.8 3.4 80 37 A 5 LEU HA A 5 LEU HG 1.0 1.8 5.0 81 38 A 5 LEU HBy A 5 LEU HD1% 1.0 1.8 5.0 82 38 A 5 LEU HB2 A 5 LEU HD1% 1.0 1.8 5.0 83 38 A 5 LEU HD2% A 5 LEU HB2 1.0 1.8 5.0 84 38 A 5 LEU HBy A 5 LEU HD2% 1.0 1.8 5.0 85 39 A 5 LEU HA A 5 LEU HD1% 1.0 1.8 5.0 86 39 A 5 LEU HA A 5 LEU HD2% 1.0 1.8 5.0 87 40 A 5 LEU HA A 5 LEU HG 1.0 1.8 5.0 88 41 A 5 LEU HA A 5 LEU HB2 1.0 1.8 3.4 89 41 A 5 LEU HA A 5 LEU HBy 1.0 1.8 3.4 90 42 A 5 LEU HBy A 5 LEU HD1% 1.0 1.8 5.0 91 42 A 5 LEU HB2 A 5 LEU HD1% 1.0 1.8 5.0 92 42 A 5 LEU HD2% A 5 LEU HB2 1.0 1.8 5.0 93 42 A 5 LEU HBy A 5 LEU HD2% 1.0 1.8 5.0 94 43 A 5 LEU H A 5 LEU HG 1.0 1.8 5.0 95 44 A 5 LEU H A 5 LEU HB2 1.0 1.8 5.0 96 44 A 5 LEU H A 5 LEU HBy 1.0 1.8 5.0 97 45 A 5 LEU H A 5 LEU HD1% 1.0 1.8 5.0 98 45 A 5 LEU H A 5 LEU HD2% 1.0 1.8 5.0 99 46 A 5 LEU H A 5 LEU HA 1.0 1.8 3.4 100 47 A 5 LEU H A 5 LEU HG 1.0 1.8 5.0 101 48 A 5 LEU H A 5 LEU HD1% 1.0 1.8 5.0 102 48 A 5 LEU H A 5 LEU HD2% 1.0 1.8 5.0 103 49 A 6 ILE H A 6 ILE HA 1.0 1.8 3.4 104 50 A 6 ILE H A 6 ILE HB 1.0 1.8 3.4 105 51 A 6 ILE H A 6 ILE HG12 1.0 1.8 5.0 106 51 A 6 ILE H A 6 ILE HG1y 1.0 1.8 5.0 107 52 A 6 ILE HA A 6 ILE HB 1.0 1.8 3.4 108 53 A 6 ILE HA A 6 ILE HG12 1.0 1.8 5.0 109 53 A 6 ILE HA A 6 ILE HG1y 1.0 1.8 5.0 110 54 A 6 ILE HA A 6 ILE HD1% 1.0 1.8 5.0 111 55 A 6 ILE H A 6 ILE HB 1.0 1.8 3.4 112 56 A 6 ILE HB A 6 ILE HD1% 1.0 1.8 2.8 113 57 A 6 ILE HB A 6 ILE HG12 1.0 1.8 5.0 114 57 A 6 ILE HB A 6 ILE HG1y 1.0 1.8 5.0 115 58 A 6 ILE HB A 6 ILE HD1% 1.0 1.8 2.8 116 59 A 6 ILE HA A 6 ILE HD1% 1.0 1.8 5.0 117 60 A 6 ILE HA A 6 ILE HG12 1.0 1.8 5.0 118 60 A 6 ILE HA A 6 ILE HG1y 1.0 1.8 5.0 119 61 A 6 ILE HA A 6 ILE HB 1.0 1.8 3.4 120 62 A 6 ILE HB A 6 ILE HG12 1.0 1.8 5.0 121 62 A 6 ILE HB A 6 ILE HG1y 1.0 1.8 5.0 122 63 A 6 ILE H A 6 ILE HA 1.0 1.8 3.4 123 64 A 6 ILE H A 6 ILE HG12 1.0 1.8 5.0 124 64 A 6 ILE H A 6 ILE HG1y 1.0 1.8 5.0 125 65 A 7 VAL H A 7 VAL HB 1.0 1.8 5.0 126 66 A 7 VAL H A 7 VAL HG1% 1.0 1.8 5.0 127 66 A 7 VAL H A 7 VAL HG2% 1.0 1.8 5.0 128 67 A 7 VAL HB A 7 VAL HA 1.0 1.8 3.4 129 68 A 7 VAL HA A 7 VAL HG1% 1.0 1.8 3.4 130 68 A 7 VAL HG2% A 7 VAL HA 1.0 1.8 3.4 131 69 A 7 VAL H A 7 VAL HB 1.0 1.8 5.0 132 70 A 7 VAL H A 7 VAL HG1% 1.0 1.8 5.0 133 70 A 7 VAL H A 7 VAL HG2% 1.0 1.8 5.0 134 71 A 7 VAL H A 7 VAL HA 1.0 1.8 5.0 135 72 A 7 VAL HA A 7 VAL HG1% 1.0 1.8 3.4 136 72 A 7 VAL HG2% A 7 VAL HA 1.0 1.8 3.4 137 73 A 7 VAL HB A 7 VAL HA 1.0 1.8 3.4 138 74 A 7 VAL H A 7 VAL HA 1.0 1.8 5.0 139 75 A 8 HIS H A 8 HIS HA 1.0 1.8 3.4 140 76 A 8 HIS HA A 8 HIS HB2 1.0 1.8 2.8 141 76 A 8 HIS HA A 8 HIS HBy 1.0 1.8 2.8 142 77 A 8 HIS H A 8 HIS HB2 1.0 1.8 5.0 143 77 A 8 HIS H A 8 HIS HBy 1.0 1.8 5.0 144 78 A 8 HIS H A 8 HIS HD2 1.0 1.8 5.0 145 78 A 8 HIS H A 8 HIS HD1 1.0 1.8 5.0 146 79 A 8 HIS HA A 8 HIS HD2 1.0 1.8 5.0 147 79 A 8 HIS HA A 8 HIS HD1 1.0 1.8 5.0 148 80 A 8 HIS HD1 A 8 HIS HB2 1.0 1.8 5.0 149 80 A 8 HIS HBy A 8 HIS HD2 1.0 1.8 5.0 150 80 A 8 HIS HBy A 8 HIS HD1 1.0 1.8 5.0 151 80 A 8 HIS HD2 A 8 HIS HB2 1.0 1.8 5.0 152 81 A 8 HIS HD1 A 8 HIS HB2 1.0 1.8 5.0 153 81 A 8 HIS HBy A 8 HIS HD2 1.0 1.8 5.0 154 81 A 8 HIS HBy A 8 HIS HD1 1.0 1.8 5.0 155 81 A 8 HIS HD2 A 8 HIS HB2 1.0 1.8 5.0 156 82 A 8 HIS H A 8 HIS HB2 1.0 1.8 5.0 157 82 A 8 HIS H A 8 HIS HBy 1.0 1.8 5.0 158 83 A 8 HIS H A 8 HIS HD2 1.0 1.8 5.0 159 83 A 8 HIS H A 8 HIS HD1 1.0 1.8 5.0 160 84 A 8 HIS H A 8 HIS HA 1.0 1.8 3.4 161 85 A 9 GLN H A 9 GLN HA 1.0 1.8 2.8 162 86 A 9 GLN H A 9 GLN HG2 1.0 1.8 5.0 163 86 A 9 GLN H A 9 GLN HGy 1.0 1.8 5.0 164 87 A 9 GLN H A 9 GLN HB2 1.0 1.8 3.4 165 87 A 9 GLN H A 9 GLN HBy 1.0 1.8 3.4 166 88 A 9 GLN HA A 9 GLN HG2 1.0 1.8 3.4 167 88 A 9 GLN HA A 9 GLN HGy 1.0 1.8 3.4 168 89 A 9 GLN HA A 9 GLN HB2 1.0 1.8 2.8 169 89 A 9 GLN HA A 9 GLN HBy 1.0 1.8 2.8 170 90 A 9 GLN HBy A 9 GLN HG2 1.0 1.8 3.4 171 90 A 9 GLN HGy A 9 GLN HB2 1.0 1.8 3.4 172 90 A 9 GLN HGy A 9 GLN HBy 1.0 1.8 3.4 173 90 A 9 GLN HB2 A 9 GLN HG2 1.0 1.8 3.4 174 91 A 9 GLN HBy A 9 GLN HG2 1.0 1.8 3.4 175 91 A 9 GLN HGy A 9 GLN HB2 1.0 1.8 3.4 176 91 A 9 GLN HGy A 9 GLN HBy 1.0 1.8 3.4 177 91 A 9 GLN HB2 A 9 GLN HG2 1.0 1.8 3.4 178 92 A 9 GLN H A 9 GLN HB2 1.0 1.8 3.4 179 92 A 9 GLN H A 9 GLN HBy 1.0 1.8 3.4 180 93 A 9 GLN H A 9 GLN HG2 1.0 1.8 5.0 181 93 A 9 GLN H A 9 GLN HGy 1.0 1.8 5.0 182 94 A 9 GLN H A 9 GLN HA 1.0 1.8 2.8 183 95 A 9 GLN HE21 A 9 GLN HG2 1.0 1.8 5.0 184 95 A 9 GLN HE22 A 9 GLN HG2 1.0 1.8 5.0 185 95 A 9 GLN HGy A 9 GLN HE21 1.0 1.8 5.0 186 95 A 9 GLN HGy A 9 GLN HE22 1.0 1.8 5.0 187 96 A 9 GLN HE21 A 9 GLN HG2 1.0 1.8 5.0 188 96 A 9 GLN HE22 A 9 GLN HG2 1.0 1.8 5.0 189 96 A 9 GLN HGy A 9 GLN HE21 1.0 1.8 5.0 190 96 A 9 GLN HGy A 9 GLN HE22 1.0 1.8 5.0 191 97 A 9 GLN HA A 9 GLN HG2 1.0 1.8 3.4 192 97 A 9 GLN HA A 9 GLN HGy 1.0 1.8 3.4 193 98 A 10 ARG H A 10 ARG HA 1.0 1.8 5.0 194 99 A 10 ARG H A 10 ARG HD2 1.0 1.8 5.0 195 99 A 10 ARG H A 10 ARG HDy 1.0 1.8 5.0 196 100 A 10 ARG H A 10 ARG HB2 1.0 1.8 5.0 197 100 A 10 ARG H A 10 ARG HBy 1.0 1.8 5.0 198 101 A 10 ARG H A 10 ARG HG2 1.0 1.8 5.0 199 101 A 10 ARG H A 10 ARG HGy 1.0 1.8 5.0 200 102 A 10 ARG HA A 10 ARG HD2 1.0 1.8 5.0 201 102 A 10 ARG HA A 10 ARG HDy 1.0 1.8 5.0 202 103 A 10 ARG HA A 10 ARG HB2 1.0 1.8 3.4 203 103 A 10 ARG HA A 10 ARG HBy 1.0 1.8 3.4 204 104 A 10 ARG HD2 A 10 ARG HG2 1.0 1.8 2.8 205 104 A 10 ARG HDy A 10 ARG HG2 1.0 1.8 2.8 206 104 A 10 ARG HGy A 10 ARG HD2 1.0 1.8 2.8 207 104 A 10 ARG HDy A 10 ARG HGy 1.0 1.8 2.8 208 105 A 10 ARG HB2 A 10 ARG HD2 1.0 1.8 3.4 209 105 A 10 ARG HBy A 10 ARG HD2 1.0 1.8 3.4 210 105 A 10 ARG HDy A 10 ARG HB2 1.0 1.8 3.4 211 105 A 10 ARG HDy A 10 ARG HBy 1.0 1.8 3.4 212 106 A 10 ARG H A 10 ARG HG2 1.0 1.8 5.0 213 106 A 10 ARG H A 10 ARG HGy 1.0 1.8 5.0 214 107 A 10 ARG H A 10 ARG HB2 1.0 1.8 5.0 215 107 A 10 ARG H A 10 ARG HBy 1.0 1.8 5.0 216 108 A 10 ARG HE A 10 ARG HG2 1.0 1.8 3.4 217 108 A 10 ARG HGy A 10 ARG HE 1.0 1.8 3.4 218 109 A 10 ARG HE A 10 ARG HB2 1.0 1.8 5.0 219 109 A 10 ARG HBy A 10 ARG HE 1.0 1.8 5.0 220 110 A 10 ARG HE A 10 ARG HD2 1.0 1.8 3.4 221 110 A 10 ARG HDy A 10 ARG HE 1.0 1.8 3.4 222 111 A 10 ARG HB2 A 10 ARG HG2 1.0 1.8 3.4 223 111 A 10 ARG HGy A 10 ARG HB2 1.0 1.8 3.4 224 111 A 10 ARG HBy A 10 ARG HGy 1.0 1.8 3.4 225 111 A 10 ARG HBy A 10 ARG HG2 1.0 1.8 3.4 226 112 A 10 ARG HA A 10 ARG HB2 1.0 1.8 3.4 227 112 A 10 ARG HA A 10 ARG HBy 1.0 1.8 3.4 228 113 A 10 ARG HE A 10 ARG HG2 1.0 1.8 3.4 229 113 A 10 ARG HGy A 10 ARG HE 1.0 1.8 3.4 230 114 A 10 ARG H A 10 ARG HA 1.0 1.8 5.0 231 115 A 10 ARG HE A 10 ARG HB2 1.0 1.8 5.0 232 115 A 10 ARG HBy A 10 ARG HE 1.0 1.8 5.0 233 116 A 10 ARG H A 10 ARG HD2 1.0 1.8 5.0 234 116 A 10 ARG H A 10 ARG HDy 1.0 1.8 5.0 235 117 A 10 ARG HA A 10 ARG HD2 1.0 1.8 5.0 236 117 A 10 ARG HA A 10 ARG HDy 1.0 1.8 5.0 237 118 A 2 ARG H A 1 SER HB2 1.0 1.8 5.0 238 118 A 1 SER HBy A 2 ARG H 1.0 1.8 5.0 239 119 A 1 SER HA A 2 ARG H 1.0 1.8 3.4 240 120 A 1 SER HA A 2 ARG H 1.0 1.8 3.4 241 121 A 2 ARG H A 1 SER HB2 1.0 1.8 5.0 242 121 A 1 SER HBy A 2 ARG H 1.0 1.8 5.0 243 122 A 2 ARG H A 3 SER H 1.0 1.8 5.0 244 123 A 2 ARG HA A 3 SER H 1.0 1.8 3.4 245 124 A 2 ARG HA A 3 SER H 1.0 1.8 3.4 246 125 A 4 GLU H A 3 SER HB2 1.0 1.8 5.0 247 125 A 3 SER HBy A 4 GLU H 1.0 1.8 5.0 248 126 A 3 SER H A 4 GLU H 1.0 1.8 5.0 249 127 A 2 ARG H A 3 SER H 1.0 1.8 5.0 250 128 A 4 GLU H A 3 SER HB2 1.0 1.8 5.0 251 128 A 3 SER HBy A 4 GLU H 1.0 1.8 5.0 252 129 A 3 SER H A 4 GLU H 1.0 1.8 5.0 253 130 A 5 LEU HA A 6 ILE H 1.0 1.8 3.4 254 131 A 6 ILE H A 5 LEU HB2 1.0 1.8 5.0 255 131 A 5 LEU HBy A 6 ILE H 1.0 1.8 5.0 256 132 A 5 LEU H A 6 ILE H 1.0 1.8 5.0 257 133 A 5 LEU HA A 6 ILE H 1.0 1.8 3.4 258 134 A 6 ILE H A 5 LEU HB2 1.0 1.8 5.0 259 134 A 5 LEU HBy A 6 ILE H 1.0 1.8 5.0 260 135 A 6 ILE HA A 7 VAL H 1.0 1.8 3.4 261 136 A 5 LEU H A 6 ILE H 1.0 1.8 5.0 262 137 A 6 ILE HA A 7 VAL H 1.0 1.8 3.4 263 138 A 7 VAL H A 8 HIS H 1.0 1.8 5.0 264 139 A 7 VAL HA A 8 HIS H 1.0 1.8 3.4 265 140 A 7 VAL HA A 8 HIS H 1.0 1.8 3.4 266 141 A 9 GLN H A 8 HIS HB2 1.0 1.8 5.0 267 141 A 8 HIS HBy A 9 GLN H 1.0 1.8 5.0 268 142 A 8 HIS H A 9 GLN H 1.0 1.8 5.0 269 143 A 7 VAL H A 8 HIS H 1.0 1.8 5.0 270 144 A 8 HIS HA A 9 GLN H 1.0 1.8 3.4 271 145 A 8 HIS HA A 9 GLN H 1.0 1.8 3.4 272 146 A 9 GLN H A 8 HIS HB2 1.0 1.8 5.0 273 146 A 8 HIS HBy A 9 GLN H 1.0 1.8 5.0 274 147 A 9 GLN HA A 10 ARG H 1.0 1.8 3.4 275 148 A 8 HIS H A 9 GLN H 1.0 1.8 5.0 276 149 A 10 ARG H A 9 GLN HG2 1.0 1.8 5.0 277 149 A 9 GLN HGy A 10 ARG H 1.0 1.8 5.0 278 150 A 9 GLN HA A 10 ARG H 1.0 1.8 3.4 279 151 A 10 ARG H A 9 GLN HG2 1.0 1.8 5.0 280 151 A 9 GLN HGy A 10 ARG H 1.0 1.8 5.0 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 SER C A 2 ARG N A 2 ARG CA A 2 ARG C 1.0 -111.988 -51.988 PHI 2 2 A 2 ARG C A 3 SER N A 3 SER CA A 3 SER C 1.0 -93.232 -33.232 PHI 3 3 A 3 SER C A 4 GLU N A 4 GLU CA A 4 GLU C 1.0 -94.111 -34.111 PHI 4 4 A 4 GLU C A 5 LEU N A 5 LEU CA A 5 LEU C 1.0 -93.839 -33.839 PHI 5 5 A 5 LEU C A 6 ILE N A 6 ILE CA A 6 ILE C 1.0 -124.278 -64.278 PHI 6 6 A 6 ILE C A 7 VAL N A 7 VAL CA A 7 VAL C 1.0 -147.203 -87.203 PHI 7 7 A 7 VAL C A 8 HIS N A 8 HIS CA A 8 HIS C 1.0 -169.341 -109.341 PHI 8 8 A 8 HIS C A 9 GLN N A 9 GLN CA A 9 GLN C 1.0 -120.989 -60.989 PHI 9 9 A 2 ARG N A 2 ARG CA A 2 ARG C A 3 SER N 1.0 -43.232 16.768 PSI 10 10 A 3 SER N A 3 SER CA A 3 SER C A 4 GLU N 1.0 -74.240 -14.240 PSI 11 11 A 4 GLU N A 4 GLU CA A 4 GLU C A 5 LEU N 1.0 -75.018 -15.018 PSI 12 12 A 5 LEU N A 5 LEU CA A 5 LEU C A 6 ILE N 1.0 -62.422 -2.422 PSI 13 13 A 6 ILE N A 6 ILE CA A 6 ILE C A 7 VAL N 1.0 -41.625 18.375 PSI 14 14 A 7 VAL N A 7 VAL CA A 7 VAL C A 8 HIS N 1.0 124.025 184.025 PSI 15 15 A 8 HIS N A 8 HIS CA A 8 HIS C A 9 GLN N 1.0 122.770 182.770 PSI 16 16 A 9 GLN N A 9 GLN CA A 9 GLN C A 10 ARG N 1.0 107.069 167.069 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 2 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 Hz . . 8012.82 . . . . 2 Hz . . 8012.82 . . . . stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 2 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 Hz . . 6009.615 . . . . 2 Hz . . 6009.615 . . . . stop_ save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 2 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 Hz . . 8012.820 . . . . 2 Hz . . 5030.936 . . . . stop_ save_ save_spectral_peak_list_4 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_4 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 2 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 Hz . . 8802.817 . . . . 2 Hz . . 2000.00 . . . . stop_ save_