data_nef_c19973_2mp9 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 2MP9 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 12 PHE C 1 13 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 . . 11 A 11 LEU middle . . 12 A 12 PHE middle . . 13 A 13 NH2 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 SER HA H 1 4.181 0.000 A 1 SER HB2 H 1 3.993 0.000 A 1 SER HB3 H 1 3.993 0.000 A 1 SER CA C 13 57.061 0.000 A 1 SER CB C 13 62.954 0.000 A 2 ARG H H 1 8.794 0.000 A 2 ARG HA H 1 4.419 0.000 A 2 ARG HBy H 1 1.877 0.000 A 2 ARG HBx H 1 1.797 0.000 A 2 ARG HD2 H 1 3.211 0.000 A 2 ARG HD3 H 1 3.211 0.000 A 2 ARG HG2 H 1 1.654 0.000 A 2 ARG HG3 H 1 1.654 0.000 A 2 ARG HH21 H 1 7.538 0.000 A 2 ARG HH22 H 1 7.538 0.000 A 2 ARG CA C 13 56.402 0.000 A 2 ARG CB C 13 30.752 0.000 A 2 ARG CD C 13 43.256 0.000 A 2 ARG CG C 13 26.982 0.000 A 2 ARG N N 15 121.897 0.000 A 3 SER H H 1 8.484 0.000 A 3 SER HA H 1 4.426 0.000 A 3 SER HB2 H 1 3.846 0.000 A 3 SER HB3 H 1 3.846 0.000 A 3 SER CA C 13 58.301 0.000 A 3 SER CB C 13 63.603 0.000 A 3 SER N N 15 117.780 0.000 A 4 GLU H H 1 8.453 0.000 A 4 GLU HA H 1 4.372 0.000 A 4 GLU HBy H 1 2.095 0.000 A 4 GLU HBx H 1 1.957 0.000 A 4 GLU HG2 H 1 2.419 0.000 A 4 GLU HG3 H 1 2.419 0.000 A 4 GLU CA C 13 55.776 0.000 A 4 GLU CB C 13 29.211 0.000 A 4 GLU CG C 13 33.330 0.000 A 4 GLU N N 15 122.780 0.000 A 5 LEU H H 1 8.209 0.000 A 5 LEU HA H 1 4.319 0.000 A 5 LEU HB2 H 1 1.572 0.000 A 5 LEU HB3 H 1 1.572 0.000 A 5 LEU HDx% H 1 0.913 0.000 A 5 LEU HDy% H 1 0.852 0.000 A 5 LEU HG H 1 1.563 0.000 A 5 LEU CA C 13 55.074 0.000 A 5 LEU CB C 13 42.314 0.000 A 5 LEU CDy C 13 24.613 0.000 A 5 LEU CDx C 13 23.664 0.000 A 5 LEU CG C 13 26.747 0.000 A 5 LEU N N 15 123.566 0.000 A 6 ILE H H 1 8.138 0.000 A 6 ILE HA H 1 4.122 0.000 A 6 ILE HB H 1 1.800 0.000 A 6 ILE HD1% H 1 0.833 0.000 A 6 ILE HG1y H 1 1.448 0.000 A 6 ILE HG1x H 1 1.161 0.000 A 6 ILE HG2% H 1 0.756 0.000 A 6 ILE CA C 13 60.736 0.000 A 6 ILE CB C 13 38.396 0.000 A 6 ILE CD1 C 13 12.395 0.000 A 6 ILE CG1 C 13 27.311 0.000 A 6 ILE CG2 C 13 17.290 0.000 A 6 ILE N N 15 123.187 0.000 A 7 VAL H H 1 8.201 0.000 A 7 VAL HA H 1 4.025 0.000 A 7 VAL HB H 1 1.970 0.000 A 7 VAL HGx% H 1 0.882 0.000 A 7 VAL HGy% H 1 0.846 0.000 A 7 VAL CA C 13 62.175 0.000 A 7 VAL CB C 13 32.798 0.000 A 7 VAL CGx C 13 20.634 0.000 A 7 VAL CGy C 13 21.055 0.000 A 7 VAL N N 15 125.074 0.000 A 8 HIS H H 1 8.630 0.000 A 8 HIS HA H 1 4.692 0.000 A 8 HIS HBy H 1 3.250 0.000 A 8 HIS HBx H 1 3.159 0.000 A 8 HIS HD2 H 1 7.309 0.000 A 8 HIS HE1 H 1 8.610 0.000 A 8 HIS CA C 13 55.089 0.000 A 8 HIS CB C 13 28.902 0.000 A 8 HIS CD2 C 13 119.954 0.000 A 8 HIS CE1 C 13 136.161 0.000 A 8 HIS N N 15 122.621 0.000 A 9 GLN H H 1 8.480 0.000 A 9 GLN HA H 1 4.291 0.000 A 9 GLN HBy H 1 2.045 0.000 A 9 GLN HBx H 1 1.961 0.000 A 9 GLN HG2 H 1 2.332 0.000 A 9 GLN HG3 H 1 2.332 0.000 A 9 GLN CA C 13 55.861 0.000 A 9 GLN CB C 13 29.490 0.000 A 9 GLN CG C 13 33.602 0.000 A 9 GLN N N 15 122.144 0.000 A 10 ARG H H 1 8.468 0.000 A 10 ARG HA H 1 4.261 0.000 A 10 ARG HB2 H 1 1.738 0.000 A 10 ARG HB3 H 1 1.738 0.000 A 10 ARG HD2 H 1 3.168 0.000 A 10 ARG HD3 H 1 3.168 0.000 A 10 ARG HGy H 1 1.573 0.000 A 10 ARG HGx H 1 1.523 0.000 A 10 ARG HH21 H 1 7.522 0.000 A 10 ARG HH22 H 1 7.522 0.000 A 10 ARG CA C 13 56.105 0.000 A 10 ARG CB C 13 30.796 0.000 A 10 ARG CD C 13 43.261 0.000 A 10 ARG CG C 13 27.301 0.000 A 10 ARG N N 15 123.145 0.000 A 11 LEU H H 1 8.266 0.000 A 11 LEU HA H 1 4.303 0.000 A 11 LEU HBy H 1 1.530 0.000 A 11 LEU HBx H 1 1.432 0.000 A 11 LEU HDx% H 1 0.881 0.000 A 11 LEU HDy% H 1 0.812 0.000 A 11 LEU HG H 1 1.546 0.000 A 11 LEU CA C 13 55.101 0.000 A 11 LEU CB C 13 42.305 0.000 A 11 LEU CDy C 13 24.833 0.000 A 11 LEU CDx C 13 23.310 0.000 A 11 LEU CG C 13 26.738 0.000 A 11 LEU N N 15 123.771 0.000 A 12 PHE H H 1 8.215 0.000 A 12 PHE HA H 1 4.584 0.000 A 12 PHE HBy H 1 3.154 0.000 A 12 PHE HBx H 1 2.981 0.000 A 12 PHE HE1 H 1 7.287 0.000 A 12 PHE HZ H 1 7.290 0.000 A 12 PHE CA C 13 57.242 0.000 A 12 PHE CB C 13 39.793 0.000 A 12 PHE CD1 C 13 131.947 0.000 A 12 PHE CE1 C 13 129.829 0.000 A 12 PHE CZ C 13 131.399 0.000 A 12 PHE N N 15 121.193 0.000 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 A 2 ARG H A 3 SER H 1.0 0.0 2.74 2 2 A 3 SER H A 4 GLU H 1.0 0.0 2.59 3 3 A 7 VAL H A 8 HIS H 1.0 0.0 2.43 4 4 A 10 ARG H A 11 LEU H 1.0 0.0 2.43 5 5 A 11 LEU H A 12 PHE H 1.0 0.0 2.43 6 6 A 7 VAL H A 6 ILE H 1.0 0.0 2.46 7 7 A 6 ILE H A 5 LEU H 1.0 0.0 2.52 8 8 A 2 ARG H A 2 ARG HA 1.0 0.0 2.62 9 9 A 2 ARG H A 1 SER HA 1.0 0.0 2.74 10 10 A 10 ARG H A 10 ARG HA 1.0 0.0 2.77 11 11 A 3 SER H A 2 ARG HA 1.0 0.0 3.08 12 12 A 8 HIS H A 8 HIS HBy 1.0 0.0 3.65 13 12 A 8 HIS H A 8 HIS HBx 1.0 0.0 3.65 14 13 A 8 HIS H A 7 VAL HA 1.0 0.0 3.24 15 14 A 9 GLN H A 8 HIS HBy 1.0 0.0 4.09 16 14 A 8 HIS HBx A 9 GLN H 1.0 0.0 4.09 17 15 A 10 ARG H A 7 VAL HA 1.0 0.0 3.61 18 16 A 9 GLN H A 8 HIS HA 1.0 0.0 3.36 19 17 A 9 GLN H A 9 GLN HA 1.0 0.0 2.90 20 18 A 9 GLN H A 6 ILE HA 1.0 0.0 3.67 21 19 A 10 ARG H A 6 ILE HA 1.0 0.0 4.23 22 20 A 7 VAL H A 6 ILE HA 1.0 0.0 3.24 23 21 A 4 GLU H A 4 GLU HA 1.0 0.0 2.80 24 22 A 4 GLU H A 3 SER HA 1.0 0.0 3.33 25 23 A 5 LEU H A 5 LEU HA 1.0 0.0 2.90 26 24 A 7 VAL H A 4 GLU HA 1.0 0.0 3.55 27 25 A 7 VAL H A 3 SER HA 1.0 0.0 4.20 28 26 A 11 LEU H A 8 HIS HA 1.0 0.0 3.89 29 27 A 6 ILE H A 5 LEU HA 1.0 0.0 3.33 30 28 A 5 LEU H A 2 ARG HA 1.0 0.0 3.67 31 29 A 11 LEU H A 11 LEU HA 1.0 0.0 2.80 32 30 A 12 PHE H A 12 PHE HBy 1.0 0.0 3.48 33 31 A 9 GLN H A 9 GLN HBy 1.0 0.0 3.14 34 32 A 9 GLN H A 9 GLN HBx 1.0 0.0 3.14 35 33 A 10 ARG H A 9 GLN HBy 1.0 0.0 3.33 36 34 A 3 SER H A 2 ARG HBy 1.0 0.0 4.21 37 34 A 3 SER H A 2 ARG HBx 1.0 0.0 4.21 38 35 A 5 LEU H A 4 GLU HBy 1.0 0.0 4.30 39 35 A 5 LEU H A 4 GLU HBx 1.0 0.0 4.30 40 36 A 5 LEU H A 5 LEU HB2 1.0 0.0 2.77 41 37 A 12 PHE H A 11 LEU HBx 1.0 0.0 3.48 42 38 A 12 PHE H A 11 LEU HBy 1.0 0.0 3.48 43 39 A 11 LEU H A 11 LEU HBy 1.0 0.0 3.36 44 40 A 11 LEU H A 11 LEU HBx 1.0 0.0 3.36 45 41 A 7 VAL H A 7 VAL HB 1.0 0.0 2.62 46 42 A 6 ILE H A 5 LEU HB2 1.0 0.0 3.14 47 43 A 6 ILE H A 5 LEU HB3 1.0 0.0 3.14 48 44 A 12 PHE H A 12 PHE HBx 1.0 0.0 3.48 49 45 A 10 ARG H A 9 GLN HBx 1.0 0.0 3.33 50 46 A 10 ARG H A 10 ARG HB2 1.0 0.0 3.71 51 46 A 10 ARG H A 10 ARG HB3 1.0 0.0 3.71 52 47 A 8 HIS H A 7 VAL HB 1.0 0.0 2.90 53 48 A 4 GLU H A 4 GLU HBy 1.0 0.0 3.71 54 48 A 4 GLU H A 4 GLU HBx 1.0 0.0 3.71 55 49 A 5 LEU H A 5 LEU HB3 1.0 0.0 2.77 56 50 A 6 ILE H A 6 ILE HB 1.0 0.0 2.49 57 51 A 7 VAL H A 6 ILE HB 1.0 0.0 2.83 58 52 A 11 LEU H A 10 ARG HB2 1.0 0.0 4.15 59 52 A 11 LEU H A 10 ARG HB3 1.0 0.0 4.15 60 53 A 2 ARG H A 2 ARG HG3 1.0 0.0 4.29 61 54 A 2 ARG H A 2 ARG HD2 1.0 0.0 5.76 62 54 A 2 ARG H A 2 ARG HD3 1.0 0.0 5.76 63 55 A 2 ARG H A 2 ARG HG2 1.0 0.0 4.29 64 56 A 10 ARG H A 10 ARG HGy 1.0 0.0 3.52 65 57 A 3 SER H A 2 ARG HG2 1.0 0.0 4.38 66 58 A 5 LEU H A 4 GLU HG2 1.0 0.0 6.38 67 58 A 5 LEU H A 4 GLU HG3 1.0 0.0 6.38 68 59 A 11 LEU H A 11 LEU HG 1.0 0.0 2.86 69 60 A 11 LEU H A 10 ARG HGx 1.0 0.0 5.50 70 61 A 11 LEU H A 10 ARG HGy 1.0 0.0 5.50 71 62 A 6 ILE H A 6 ILE HG1y 1.0 0.0 3.21 72 63 A 9 GLN H A 9 GLN HG2 1.0 0.0 3.52 73 64 A 9 GLN H A 9 GLN HG3 1.0 0.0 3.52 74 65 A 10 ARG H A 9 GLN HG3 1.0 0.0 5.47 75 66 A 10 ARG H A 9 GLN HG2 1.0 0.0 5.47 76 67 A 10 ARG H A 10 ARG HGx 1.0 0.0 3.52 77 68 A 3 SER H A 2 ARG HG3 1.0 0.0 4.38 78 69 A 4 GLU H A 4 GLU HG2 1.0 0.0 4.71 79 69 A 4 GLU H A 4 GLU HG3 1.0 0.0 4.71 80 70 A 6 ILE H A 6 ILE HG1x 1.0 0.0 3.21 81 71 A 10 ARG HE A 10 ARG HB2 1.0 0.0 6.01 82 71 A 10 ARG HB3 A 10 ARG HE 1.0 0.0 6.01 83 72 A 8 HIS HA A 8 HIS HD2 1.0 0.0 4.29 84 73 A 10 ARG H A 6 ILE HG2% 1.0 0.0 5.12 85 74 A 8 HIS H A 7 VAL HGy% 1.0 0.0 4.69 86 75 A 8 HIS H A 7 VAL HGx% 1.0 0.0 4.69 87 76 A 5 LEU H A 5 LEU HDx% 1.0 0.0 5.25 88 77 A 5 LEU H A 5 LEU HDy% 1.0 0.0 5.25 89 78 A 11 LEU H A 11 LEU HDy% 1.0 0.0 5.19 90 79 A 11 LEU H A 11 LEU HDx% 1.0 0.0 5.19 91 80 A 6 ILE H A 6 ILE HG2% 1.0 0.0 4.07 92 81 A 6 ILE H A 6 ILE HD1% 1.0 0.0 4.82 93 82 A 7 VAL H A 7 VAL HGx% 1.0 0.0 3.82 94 83 A 7 VAL H A 7 VAL HGy% 1.0 0.0 3.82 95 84 A 11 LEU HA A 11 LEU HBy 1.0 0.0 2.99 96 85 A 6 ILE HA A 6 ILE HB 1.0 0.0 2.77 97 86 A 6 ILE HA A 9 GLN HBx 1.0 0.0 3.27 98 87 A 6 ILE HA A 9 GLN HBy 1.0 0.0 3.27 99 88 A 7 VAL HA A 7 VAL HB 1.0 0.0 2.90 100 89 A 5 LEU HA A 8 HIS HBy 1.0 0.0 3.87 101 89 A 8 HIS HBx A 5 LEU HA 1.0 0.0 3.87 102 90 A 11 LEU HA A 11 LEU HBx 1.0 0.0 2.99 103 91 A 7 VAL HA A 10 ARG HB2 1.0 0.0 3.96 104 91 A 7 VAL HA A 10 ARG HB3 1.0 0.0 3.96 105 92 A 3 SER HA A 6 ILE HB 1.0 0.0 2.90 106 93 A 4 GLU HA A 7 VAL HB 1.0 0.0 2.83 107 94 A 11 LEU HA A 11 LEU HG 1.0 0.0 3.61 108 95 A 6 ILE HA A 6 ILE HG1y 1.0 0.0 3.02 109 96 A 6 ILE HA A 6 ILE HG1x 1.0 0.0 3.02 110 97 A 8 HIS HA A 12 PHE HD% 1.0 0.0 6.48 111 98 A 6 ILE HA A 6 ILE HG2% 1.0 0.0 3.45 112 99 A 5 LEU HA A 5 LEU HDy% 1.0 0.0 4.16 113 100 A 5 LEU HA A 5 LEU HDx% 1.0 0.0 4.16 114 101 A 6 ILE HA A 6 ILE HD1% 1.0 0.0 4.78 115 102 A 7 VAL HA A 7 VAL HGy% 1.0 0.0 3.45 116 103 A 7 VAL HA A 7 VAL HGx% 1.0 0.0 3.45 117 104 A 6 ILE HB A 6 ILE HD1% 1.0 0.0 3.45 118 105 A 2 ARG H A 2 ARG HG3 1.0 0.0 3.97 119 105 A 2 ARG H A 2 ARG HG2 1.0 0.0 3.97 120 106 A 2 ARG HA A 2 ARG HG3 1.0 0.0 3.79 121 106 A 2 ARG HA A 2 ARG HG2 1.0 0.0 3.79 122 107 A 2 ARG HA A 5 LEU HB3 1.0 0.0 4.18 123 107 A 2 ARG HA A 5 LEU HB2 1.0 0.0 4.18 124 108 A 2 ARG HA A 5 LEU HDy% 1.0 0.0 6.30 125 108 A 2 ARG HA A 5 LEU HDx% 1.0 0.0 6.30 126 109 A 3 SER H A 2 ARG HG3 1.0 0.0 4.17 127 109 A 3 SER H A 2 ARG HG2 1.0 0.0 4.17 128 110 A 4 GLU HA A 7 VAL HGy% 1.0 0.0 5.25 129 110 A 4 GLU HA A 7 VAL HGx% 1.0 0.0 5.25 130 111 A 5 LEU HA A 5 LEU HDy% 1.0 0.0 3.61 131 111 A 5 LEU HA A 5 LEU HDx% 1.0 0.0 3.61 132 112 A 6 ILE H A 5 LEU HB3 1.0 0.0 2.91 133 112 A 6 ILE H A 5 LEU HB2 1.0 0.0 2.91 134 113 A 9 GLN H A 5 LEU HDy% 1.0 0.0 6.55 135 113 A 9 GLN H A 5 LEU HDx% 1.0 0.0 6.55 136 114 A 6 ILE H A 6 ILE HG1y 1.0 0.0 2.78 137 114 A 6 ILE H A 6 ILE HG1x 1.0 0.0 2.78 138 115 A 6 ILE HA A 6 ILE HG1y 1.0 0.0 2.75 139 115 A 6 ILE HA A 6 ILE HG1x 1.0 0.0 2.75 140 116 A 6 ILE HA A 9 GLN HBx 1.0 0.0 3.05 141 116 A 6 ILE HA A 9 GLN HBy 1.0 0.0 3.05 142 117 A 7 VAL H A 6 ILE HG1y 1.0 0.0 5.45 143 117 A 7 VAL H A 6 ILE HG1x 1.0 0.0 5.45 144 118 A 7 VAL H A 7 VAL HGy% 1.0 0.0 3.29 145 118 A 7 VAL H A 7 VAL HGx% 1.0 0.0 3.29 146 119 A 8 HIS H A 7 VAL HGy% 1.0 0.0 4.22 147 119 A 8 HIS H A 7 VAL HGx% 1.0 0.0 4.22 148 120 A 10 ARG H A 7 VAL HGy% 1.0 0.0 7.11 149 120 A 10 ARG H A 7 VAL HGx% 1.0 0.0 7.11 150 121 A 8 HIS HA A 11 LEU HBx 1.0 0.0 4.33 151 121 A 8 HIS HA A 11 LEU HBy 1.0 0.0 4.33 152 122 A 9 GLN H A 9 GLN HBx 1.0 0.0 2.83 153 122 A 9 GLN H A 9 GLN HBy 1.0 0.0 2.83 154 123 A 9 GLN H A 9 GLN HG3 1.0 0.0 3.31 155 123 A 9 GLN H A 9 GLN HG2 1.0 0.0 3.31 156 124 A 9 GLN HBx A 9 GLN HG3 1.0 0.0 2.44 157 124 A 9 GLN HBy A 9 GLN HG3 1.0 0.0 2.44 158 124 A 9 GLN HG2 A 9 GLN HBx 1.0 0.0 2.44 159 124 A 9 GLN HBy A 9 GLN HG2 1.0 0.0 2.44 160 125 A 10 ARG H A 9 GLN HG3 1.0 0.0 5.18 161 125 A 10 ARG H A 9 GLN HG2 1.0 0.0 5.18 162 126 A 10 ARG H A 10 ARG HGx 1.0 0.0 3.31 163 126 A 10 ARG H A 10 ARG HGy 1.0 0.0 3.31 164 127 A 11 LEU H A 10 ARG HGx 1.0 0.0 5.18 165 127 A 11 LEU H A 10 ARG HGy 1.0 0.0 5.18 166 128 A 11 LEU H A 11 LEU HBx 1.0 0.0 2.92 167 128 A 11 LEU H A 11 LEU HBy 1.0 0.0 2.92 168 129 A 11 LEU H A 11 LEU HDy% 1.0 0.0 4.87 169 129 A 11 LEU H A 11 LEU HDx% 1.0 0.0 4.87 170 130 A 12 PHE H A 11 LEU HBx 1.0 0.0 3.21 171 130 A 12 PHE H A 11 LEU HBy 1.0 0.0 3.21 172 131 A 12 PHE H A 12 PHE HBx 1.0 0.0 3.06 173 131 A 12 PHE H A 12 PHE HBy 1.0 0.0 3.06 stop_ save_