data_nef_c30396_6c41 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 6C41 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 23 PHE C 1 24 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 VAL start . . 2 A 2 PHE middle . . 3 A 3 GLN middle . . 4 A 4 PHE middle . . 5 A 5 LEU middle . . 6 A 6 GLY middle . false 7 A 7 LYS middle . . 8 A 8 ILE middle . . 9 A 9 ILE middle . . 10 A 10 HIS middle . . 11 A 11 HIS middle . . 12 A 12 VAL middle . . 13 A 13 GLY middle . false 14 A 14 ASN middle . . 15 A 15 PHE middle . . 16 A 16 VAL middle . . 17 A 17 HIS middle . . 18 A 18 GLY middle . false 19 A 19 PHE middle . . 20 A 20 SER middle . . 21 A 21 HIS middle . . 22 A 22 VAL middle . . 23 A 23 PHE middle -OXT . 24 A 24 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 VAL HA H 1 3.777 . A 1 VAL HB H 1 2.185 . A 1 VAL HGx% H 1 0.864 . A 1 VAL HGy% H 1 1.001 . A 2 PHE H H 1 7.308 . A 2 PHE HA H 1 4.708 . A 2 PHE HBy H 1 3.053 . A 2 PHE N N 15 120.583 . A 3 GLN H H 1 8.740 . A 3 GLN HA H 1 4.174 . A 3 GLN HBy H 1 1.985 . A 3 GLN HBx H 1 1.969 . A 3 GLN HE2y H 1 7.341 . A 3 GLN HE2x H 1 6.788 . A 3 GLN HGy H 1 2.267 . A 3 GLN HGx H 1 2.254 . A 3 GLN N N 15 118.680 . A 3 GLN NE2 N 15 113.275 . A 4 PHE H H 1 7.465 . A 4 PHE HA H 1 4.569 . A 4 PHE HBy H 1 3.114 . A 4 PHE N N 15 119.069 . A 5 LEU H H 1 7.553 . A 5 LEU HA H 1 4.115 . A 5 LEU HBx H 1 1.644 . A 5 LEU HBy H 1 1.647 . A 5 LEU HDx% H 1 0.927 . A 5 LEU HDy% H 1 0.983 . A 5 LEU HG H 1 1.648 . A 5 LEU N N 15 119.242 . A 6 GLY H H 1 8.075 . A 6 GLY HAx H 1 3.781 . A 6 GLY HAy H 1 3.867 . A 6 GLY N N 15 110.315 . A 7 LYS H H 1 7.744 . A 7 LYS HA H 1 4.202 . A 7 LYS HBy H 1 1.999 . A 7 LYS HBx H 1 1.974 . A 7 LYS HDy H 1 1.733 . A 7 LYS HDx H 1 1.652 . A 7 LYS HEy H 1 2.994 . A 7 LYS HEx H 1 2.989 . A 7 LYS HGx H 1 1.484 . A 7 LYS HGy H 1 1.485 . A 7 LYS N N 15 118.818 . A 8 ILE H H 1 7.712 . A 8 ILE HA H 1 3.870 . A 8 ILE HB H 1 2.111 . A 8 ILE HD1% H 1 0.877 . A 8 ILE HG1y H 1 1.175 . A 8 ILE HG1x H 1 0.930 . A 8 ILE N N 15 117.460 . A 9 ILE H H 1 8.446 . A 9 ILE HA H 1 3.778 . A 9 ILE HB H 1 1.965 . A 9 ILE HD1% H 1 0.891 . A 9 ILE HG1y H 1 1.232 . A 9 ILE HG1x H 1 0.949 . A 9 ILE N N 15 117.402 . A 10 HIS H H 1 8.145 . A 10 HIS HA H 1 4.423 . A 10 HIS HBx H 1 3.313 . A 10 HIS HBy H 1 3.324 . A 10 HIS HD2 H 1 7.219 . A 10 HIS HE2 H 1 8.530 . A 10 HIS N N 15 117.937 . A 11 HIS H H 1 8.202 . A 11 HIS HA H 1 4.548 . A 11 HIS HBy H 1 3.530 . A 11 HIS HBx H 1 3.413 . A 11 HIS HD2 H 1 7.145 . A 11 HIS HE2 H 1 8.492 . A 11 HIS N N 15 118.966 . A 12 VAL H H 1 8.647 . A 12 VAL HA H 1 3.830 . A 12 VAL HB H 1 2.209 . A 12 VAL HGx% H 1 1.000 . A 12 VAL HGy% H 1 1.102 . A 12 VAL N N 15 117.922 . A 13 GLY H H 1 8.610 . A 13 GLY HAy H 1 3.899 . A 13 GLY HAx H 1 3.809 . A 13 GLY N N 15 110.534 . A 14 ASN H H 1 7.995 . A 14 ASN HA H 1 4.574 . A 14 ASN HBy H 1 2.818 . A 14 ASN HBx H 1 2.766 . A 14 ASN HD2x H 1 6.733 . A 14 ASN HD2y H 1 7.454 . A 14 ASN N N 15 118.779 . A 14 ASN ND2 N 15 113.842 . A 15 PHE H H 1 8.111 . A 15 PHE HA H 1 4.426 . A 15 PHE HBy H 1 3.302 . A 15 PHE HBx H 1 3.104 . A 15 PHE N N 15 119.908 . A 16 VAL H H 1 8.497 . A 16 VAL HA H 1 3.734 . A 16 VAL HB H 1 2.115 . A 16 VAL HGx% H 1 1.065 . A 16 VAL HGy% H 1 0.921 . A 16 VAL N N 15 118.471 . A 17 HIS H H 1 8.280 . A 17 HIS HA H 1 4.537 . A 17 HIS HBy H 1 3.318 . A 17 HIS HBx H 1 3.317 . A 17 HIS HD2 H 1 7.321 . A 17 HIS HE2 H 1 8.447 . A 17 HIS N N 15 117.803 . A 18 GLY H H 1 8.094 . A 18 GLY HAx H 1 3.913 . A 18 GLY N N 15 112.253 . A 19 PHE H H 1 8.209 . A 19 PHE HA H 1 4.419 . A 19 PHE HBy H 1 3.073 . A 19 PHE HBx H 1 2.907 . A 19 PHE N N 15 119.256 . A 20 SER H H 1 8.122 . A 20 SER HA H 1 4.258 . A 20 SER HBy H 1 3.911 . A 20 SER N N 15 116.819 . A 21 HIS H H 1 8.066 . A 21 HIS HA H 1 4.671 . A 21 HIS HBx H 1 3.204 . A 21 HIS HBy H 1 3.284 . A 21 HIS HD2 H 1 7.213 . A 21 HIS HE1 H 1 8.538 . A 21 HIS HE2 H 1 7.221 . A 21 HIS N N 15 117.926 . A 22 VAL H H 1 7.809 . A 22 VAL HA H 1 3.897 . A 22 VAL HB H 1 1.846 . A 22 VAL HGx% H 1 0.596 . A 22 VAL HGy% H 1 0.823 . A 22 VAL N N 15 118.840 . A 23 PHE H H 1 7.857 . A 23 PHE HA H 1 4.578 . A 23 PHE HBx H 1 2.744 . A 23 PHE HBy H 1 2.989 . A 23 PHE N N 15 118.044 . 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 PHE H A 2 PHE HA 1.0 1.8 5.0 2 2 A 2 PHE HD% A 2 PHE HBx 1.0 1.8 5.0 3 2 A 2 PHE HBy A 2 PHE HD% 1.0 1.8 5.0 4 3 A 3 GLN H A 3 GLN HA 1.0 1.8 5.0 5 4 A 3 GLN H A 3 GLN HGy 1.0 1.8 5.0 6 4 A 3 GLN H A 3 GLN HGx 1.0 1.8 5.0 7 5 A 3 GLN H A 3 GLN HBy 1.0 1.8 5.0 8 5 A 3 GLN H A 3 GLN HBx 1.0 1.8 5.0 9 6 A 3 GLN HA A 3 GLN HBy 1.0 1.8 5.0 10 6 A 3 GLN HA A 3 GLN HBx 1.0 1.8 5.0 11 7 A 3 GLN H A 3 GLN HBy 1.0 1.8 5.0 12 7 A 3 GLN H A 3 GLN HBx 1.0 1.8 5.0 13 8 A 3 GLN HA A 3 GLN HBy 1.0 1.8 5.0 14 8 A 3 GLN HA A 3 GLN HBx 1.0 1.8 5.0 15 9 A 3 GLN HE2x A 3 GLN HGy 1.0 1.8 5.0 16 9 A 3 GLN HE2y A 3 GLN HGy 1.0 1.8 5.0 17 9 A 3 GLN HGx A 3 GLN HE2x 1.0 1.8 5.0 18 9 A 3 GLN HGx A 3 GLN HE2y 1.0 1.8 5.0 19 10 A 4 PHE H A 4 PHE HA 1.0 1.8 3.4 20 11 A 4 PHE H A 4 PHE HBx 1.0 1.8 5.0 21 11 A 4 PHE H A 4 PHE HBy 1.0 1.8 5.0 22 12 A 4 PHE H A 4 PHE HBx 1.0 1.8 5.0 23 12 A 4 PHE H A 4 PHE HBy 1.0 1.8 5.0 24 13 A 4 PHE HA A 4 PHE HBx 1.0 1.8 5.0 25 13 A 4 PHE HA A 4 PHE HBy 1.0 1.8 5.0 26 14 A 5 LEU H A 5 LEU HA 1.0 1.8 2.8 27 15 A 5 LEU H A 5 LEU HBx 1.0 1.8 5.0 28 15 A 5 LEU H A 5 LEU HBy 1.0 1.8 5.0 29 16 A 5 LEU H A 5 LEU HDx% 1.0 1.8 5.0 30 16 A 5 LEU H A 5 LEU HDy% 1.0 1.8 5.0 31 17 A 5 LEU HA A 5 LEU HDx% 1.0 1.8 5.0 32 17 A 5 LEU HA A 5 LEU HDy% 1.0 1.8 5.0 33 18 A 5 LEU HA A 5 LEU HBx 1.0 1.8 5.0 34 18 A 5 LEU HA A 5 LEU HBy 1.0 1.8 5.0 35 19 A 5 LEU HBx A 5 LEU HDx% 1.0 1.8 5.0 36 19 A 5 LEU HBy A 5 LEU HDx% 1.0 1.8 5.0 37 19 A 5 LEU HDy% A 5 LEU HBx 1.0 1.8 5.0 38 19 A 5 LEU HBy A 5 LEU HDy% 1.0 1.8 5.0 39 20 A 5 LEU HBx A 5 LEU HDx% 1.0 1.8 5.0 40 20 A 5 LEU HBy A 5 LEU HDx% 1.0 1.8 5.0 41 20 A 5 LEU HDy% A 5 LEU HBx 1.0 1.8 5.0 42 20 A 5 LEU HBy A 5 LEU HDy% 1.0 1.8 5.0 43 21 A 5 LEU HA A 5 LEU HBx 1.0 1.8 5.0 44 21 A 5 LEU HA A 5 LEU HBy 1.0 1.8 5.0 45 22 A 5 LEU HA A 5 LEU HDx% 1.0 1.8 5.0 46 22 A 5 LEU HA A 5 LEU HDy% 1.0 1.8 5.0 47 23 A 5 LEU H A 5 LEU HA 1.0 1.8 2.8 48 24 A 5 LEU H A 5 LEU HBx 1.0 1.8 5.0 49 24 A 5 LEU H A 5 LEU HBy 1.0 1.8 5.0 50 25 A 5 LEU H A 5 LEU HDx% 1.0 1.8 5.0 51 25 A 5 LEU H A 5 LEU HDy% 1.0 1.8 5.0 52 26 A 6 GLY H A 6 GLY HAx 1.0 1.8 2.8 53 26 A 6 GLY H A 6 GLY HAy 1.0 1.8 2.8 54 27 A 6 GLY H A 6 GLY HAx 1.0 1.8 2.8 55 27 A 6 GLY H A 6 GLY HAy 1.0 1.8 2.8 56 28 A 7 LYS H A 7 LYS HA 1.0 1.8 2.8 57 29 A 7 LYS H A 7 LYS HBy 1.0 1.8 3.4 58 29 A 7 LYS H A 7 LYS HBx 1.0 1.8 3.4 59 30 A 7 LYS H A 7 LYS HDy 1.0 1.8 3.4 60 30 A 7 LYS H A 7 LYS HDx 1.0 1.8 3.4 61 31 A 7 LYS H A 7 LYS HGx 1.0 1.8 5.0 62 31 A 7 LYS H A 7 LYS HGy 1.0 1.8 5.0 63 32 A 7 LYS HDy A 7 LYS HGx 1.0 1.8 5.0 64 32 A 7 LYS HDx A 7 LYS HGx 1.0 1.8 5.0 65 32 A 7 LYS HGy A 7 LYS HDy 1.0 1.8 5.0 66 32 A 7 LYS HDx A 7 LYS HGy 1.0 1.8 5.0 67 33 A 7 LYS HBy A 7 LYS HDy 1.0 1.8 5.0 68 33 A 7 LYS HBx A 7 LYS HDy 1.0 1.8 5.0 69 33 A 7 LYS HDx A 7 LYS HBy 1.0 1.8 5.0 70 33 A 7 LYS HBx A 7 LYS HDx 1.0 1.8 5.0 71 34 A 7 LYS HBx A 7 LYS HGx 1.0 1.8 5.0 72 34 A 7 LYS HBy A 7 LYS HGx 1.0 1.8 5.0 73 34 A 7 LYS HGy A 7 LYS HBy 1.0 1.8 5.0 74 34 A 7 LYS HBx A 7 LYS HGy 1.0 1.8 5.0 75 35 A 7 LYS HDx A 7 LYS HGx 1.0 1.8 5.0 76 35 A 7 LYS HDy A 7 LYS HGx 1.0 1.8 5.0 77 35 A 7 LYS HGy A 7 LYS HDy 1.0 1.8 5.0 78 35 A 7 LYS HDx A 7 LYS HGy 1.0 1.8 5.0 79 36 A 7 LYS HDx A 7 LYS HEy 1.0 1.8 5.0 80 36 A 7 LYS HDy A 7 LYS HEy 1.0 1.8 5.0 81 36 A 7 LYS HEx A 7 LYS HDy 1.0 1.8 5.0 82 36 A 7 LYS HDx A 7 LYS HEx 1.0 1.8 5.0 83 37 A 7 LYS HA A 7 LYS HBy 1.0 1.8 5.0 84 37 A 7 LYS HA A 7 LYS HBx 1.0 1.8 5.0 85 38 A 7 LYS HDy A 7 LYS HEy 1.0 1.8 5.0 86 38 A 7 LYS HDx A 7 LYS HEy 1.0 1.8 5.0 87 38 A 7 LYS HEx A 7 LYS HDy 1.0 1.8 5.0 88 38 A 7 LYS HDx A 7 LYS HEx 1.0 1.8 5.0 89 39 A 7 LYS HEy A 7 LYS HGx 1.0 1.8 5.0 90 39 A 7 LYS HEx A 7 LYS HGx 1.0 1.8 5.0 91 39 A 7 LYS HGy A 7 LYS HEy 1.0 1.8 5.0 92 39 A 7 LYS HGy A 7 LYS HEx 1.0 1.8 5.0 93 40 A 7 LYS HA A 7 LYS HDy 1.0 1.8 5.0 94 40 A 7 LYS HA A 7 LYS HDx 1.0 1.8 5.0 95 41 A 7 LYS HBy A 7 LYS HDy 1.0 1.8 5.0 96 41 A 7 LYS HBx A 7 LYS HDy 1.0 1.8 5.0 97 41 A 7 LYS HDx A 7 LYS HBy 1.0 1.8 5.0 98 41 A 7 LYS HBx A 7 LYS HDx 1.0 1.8 5.0 99 42 A 7 LYS HA A 7 LYS HGx 1.0 1.8 5.0 100 42 A 7 LYS HA A 7 LYS HGy 1.0 1.8 5.0 101 43 A 7 LYS H A 7 LYS HDy 1.0 1.8 5.0 102 43 A 7 LYS H A 7 LYS HDx 1.0 1.8 5.0 103 44 A 7 LYS H A 7 LYS HBy 1.0 1.8 5.0 104 44 A 7 LYS H A 7 LYS HBx 1.0 1.8 5.0 105 45 A 7 LYS H A 7 LYS HA 1.0 1.8 5.0 106 46 A 7 LYS HEy A 7 LYS HGx 1.0 1.8 5.0 107 46 A 7 LYS HEx A 7 LYS HGx 1.0 1.8 5.0 108 46 A 7 LYS HGy A 7 LYS HEy 1.0 1.8 5.0 109 46 A 7 LYS HGy A 7 LYS HEx 1.0 1.8 5.0 110 47 A 8 ILE H A 8 ILE HA 1.0 1.8 3.4 111 48 A 8 ILE H A 8 ILE HB 1.0 1.8 2.8 112 49 A 8 ILE H A 8 ILE HG1y 1.0 1.8 5.0 113 49 A 8 ILE H A 8 ILE HG1x 1.0 1.8 5.0 114 50 A 8 ILE H A 8 ILE HD1% 1.0 1.8 5.0 115 51 A 8 ILE HB A 8 ILE HD1% 1.0 1.8 5.0 116 52 A 8 ILE HB A 8 ILE HG1y 1.0 1.8 5.0 117 52 A 8 ILE HB A 8 ILE HG1x 1.0 1.8 5.0 118 53 A 8 ILE HB A 8 ILE HD1% 1.0 1.8 5.0 119 54 A 8 ILE HB A 8 ILE HG1y 1.0 1.8 5.0 120 54 A 8 ILE HB A 8 ILE HG1x 1.0 1.8 5.0 121 55 A 8 ILE HA A 8 ILE HD1% 1.0 1.8 5.0 122 56 A 8 ILE HA A 8 ILE HG1y 1.0 1.8 5.0 123 56 A 8 ILE HA A 8 ILE HG1x 1.0 1.8 5.0 124 57 A 8 ILE H A 8 ILE HB 1.0 1.8 5.0 125 58 A 8 ILE H A 8 ILE HA 1.0 1.8 5.0 126 59 A 8 ILE HA A 8 ILE HD1% 1.0 1.8 5.0 127 60 A 8 ILE H A 8 ILE HD1% 1.0 1.8 5.0 128 61 A 8 ILE HA A 8 ILE HG1y 1.0 1.8 5.0 129 61 A 8 ILE HA A 8 ILE HG1x 1.0 1.8 5.0 130 62 A 8 ILE HA A 8 ILE HB 1.0 1.8 5.0 131 63 A 9 ILE H A 9 ILE HA 1.0 1.8 3.4 132 64 A 9 ILE H A 9 ILE HB 1.0 1.8 5.0 133 65 A 9 ILE H A 9 ILE HG1y 1.0 1.8 3.4 134 65 A 9 ILE H A 9 ILE HG1x 1.0 1.8 3.4 135 66 A 9 ILE HA A 9 ILE HB 1.0 1.8 5.0 136 67 A 9 ILE HB A 9 ILE HG1y 1.0 1.8 5.0 137 67 A 9 ILE HB A 9 ILE HG1x 1.0 1.8 5.0 138 68 A 9 ILE HA A 9 ILE HD1% 1.0 1.8 5.0 139 69 A 9 ILE H A 9 ILE HB 1.0 1.8 5.0 140 70 A 9 ILE H A 9 ILE HG1y 1.0 1.8 5.0 141 70 A 9 ILE H A 9 ILE HG1x 1.0 1.8 5.0 142 71 A 9 ILE H A 9 ILE HA 1.0 1.8 3.4 143 72 A 9 ILE H A 9 ILE HD1% 1.0 1.8 5.0 144 73 A 9 ILE HB A 9 ILE HG1y 1.0 1.8 5.0 145 73 A 9 ILE HB A 9 ILE HG1x 1.0 1.8 5.0 146 74 A 9 ILE HA A 9 ILE HB 1.0 1.8 5.0 147 75 A 9 ILE HA A 9 ILE HD1% 1.0 1.8 5.0 148 76 A 10 HIS H A 10 HIS HA 1.0 1.8 5.0 149 77 A 10 HIS H A 10 HIS HBx 1.0 1.8 2.8 150 77 A 10 HIS H A 10 HIS HBy 1.0 1.8 2.8 151 78 A 10 HIS HA A 10 HIS HBx 1.0 1.8 5.0 152 78 A 10 HIS HA A 10 HIS HBy 1.0 1.8 5.0 153 79 A 10 HIS HA A 10 HIS HD2 1.0 1.8 5.0 154 79 A 10 HIS HA A 10 HIS HD1 1.0 1.8 5.0 155 80 A 11 HIS H A 11 HIS HA 1.0 1.8 3.4 156 81 A 11 HIS H A 11 HIS HBy 1.0 1.8 3.4 157 81 A 11 HIS H A 11 HIS HBx 1.0 1.8 3.4 158 82 A 11 HIS H A 11 HIS HBy 1.0 1.8 5.0 159 82 A 11 HIS H A 11 HIS HBx 1.0 1.8 5.0 160 83 A 11 HIS HA A 11 HIS HBy 1.0 1.8 5.0 161 83 A 11 HIS HA A 11 HIS HBx 1.0 1.8 5.0 162 84 A 11 HIS H A 11 HIS HD2 1.0 1.8 5.0 163 84 A 11 HIS H A 11 HIS HD1 1.0 1.8 5.0 164 85 A 11 HIS H A 11 HIS HD2 1.0 1.8 3.4 165 85 A 11 HIS H A 11 HIS HD1 1.0 1.8 3.4 166 86 A 11 HIS HD2 A 11 HIS HBy 1.0 1.8 5.0 167 86 A 11 HIS HD1 A 11 HIS HBy 1.0 1.8 5.0 168 86 A 11 HIS HBx A 11 HIS HD2 1.0 1.8 5.0 169 86 A 11 HIS HBx A 11 HIS HD1 1.0 1.8 5.0 170 87 A 11 HIS HA A 11 HIS HD2 1.0 1.8 5.0 171 87 A 11 HIS HA A 11 HIS HD1 1.0 1.8 5.0 172 88 A 11 HIS HD2 A 11 HIS HBy 1.0 1.8 5.0 173 88 A 11 HIS HD1 A 11 HIS HBy 1.0 1.8 5.0 174 88 A 11 HIS HBx A 11 HIS HD2 1.0 1.8 5.0 175 88 A 11 HIS HBx A 11 HIS HD1 1.0 1.8 5.0 176 89 A 11 HIS HA A 11 HIS HBy 1.0 1.8 5.0 177 89 A 11 HIS HA A 11 HIS HBx 1.0 1.8 5.0 178 90 A 12 VAL H A 12 VAL HA 1.0 1.8 2.8 179 91 A 12 VAL H A 12 VAL HB 1.0 1.8 2.8 180 92 A 12 VAL H A 12 VAL HGx% 1.0 1.8 5.0 181 92 A 12 VAL H A 12 VAL HGy% 1.0 1.8 5.0 182 93 A 12 VAL HA A 12 VAL HGx% 1.0 1.8 5.0 183 93 A 12 VAL HA A 12 VAL HGy% 1.0 1.8 5.0 184 94 A 12 VAL H A 12 VAL HGx% 1.0 1.8 5.0 185 94 A 12 VAL H A 12 VAL HGy% 1.0 1.8 5.0 186 95 A 12 VAL H A 12 VAL HB 1.0 1.8 5.0 187 96 A 12 VAL HA A 12 VAL HGx% 1.0 1.8 5.0 188 96 A 12 VAL HA A 12 VAL HGy% 1.0 1.8 5.0 189 97 A 12 VAL HA A 12 VAL HB 1.0 1.8 5.0 190 98 A 12 VAL H A 12 VAL HA 1.0 1.8 5.0 191 99 A 13 GLY H A 13 GLY HAy 1.0 1.8 2.8 192 99 A 13 GLY H A 13 GLY HAx 1.0 1.8 2.8 193 100 A 13 GLY H A 13 GLY HAy 1.0 1.8 5.0 194 100 A 13 GLY H A 13 GLY HAx 1.0 1.8 5.0 195 101 A 14 ASN H A 14 ASN HA 1.0 1.8 2.8 196 102 A 14 ASN H A 14 ASN HBy 1.0 1.8 3.4 197 102 A 14 ASN H A 14 ASN HBx 1.0 1.8 3.4 198 103 A 14 ASN H A 14 ASN HBy 1.0 1.8 3.4 199 103 A 14 ASN H A 14 ASN HBx 1.0 1.8 3.4 200 104 A 14 ASN HA A 14 ASN HBy 1.0 1.8 5.0 201 104 A 14 ASN HA A 14 ASN HBx 1.0 1.8 5.0 202 105 A 14 ASN HBx A 14 ASN HD2x 1.0 1.8 5.0 203 105 A 14 ASN HBy A 14 ASN HD2x 1.0 1.8 5.0 204 105 A 14 ASN HD2y A 14 ASN HBy 1.0 1.8 5.0 205 105 A 14 ASN HBx A 14 ASN HD2y 1.0 1.8 5.0 206 106 A 14 ASN HA A 14 ASN HD2x 1.0 1.8 5.0 207 106 A 14 ASN HA A 14 ASN HD2y 1.0 1.8 5.0 208 107 A 14 ASN HBx A 14 ASN HD2x 1.0 1.8 5.0 209 107 A 14 ASN HBy A 14 ASN HD2x 1.0 1.8 5.0 210 107 A 14 ASN HD2y A 14 ASN HBy 1.0 1.8 5.0 211 107 A 14 ASN HBx A 14 ASN HD2y 1.0 1.8 5.0 212 108 A 15 PHE H A 15 PHE HA 1.0 1.8 2.8 213 109 A 15 PHE H A 15 PHE HBy 1.0 1.8 5.0 214 109 A 15 PHE H A 15 PHE HBx 1.0 1.8 5.0 215 110 A 15 PHE HA A 15 PHE HBy 1.0 1.8 5.0 216 110 A 15 PHE HA A 15 PHE HBx 1.0 1.8 5.0 217 111 A 15 PHE HA A 15 PHE HBy 1.0 1.8 5.0 218 111 A 15 PHE HA A 15 PHE HBx 1.0 1.8 5.0 219 112 A 16 VAL H A 16 VAL HA 1.0 1.8 2.8 220 113 A 16 VAL H A 16 VAL HB 1.0 1.8 2.8 221 114 A 16 VAL H A 16 VAL HGx% 1.0 1.8 5.0 222 114 A 16 VAL H A 16 VAL HGy% 1.0 1.8 5.0 223 115 A 16 VAL HA A 16 VAL HGx% 1.0 1.8 5.0 224 115 A 16 VAL HA A 16 VAL HGy% 1.0 1.8 5.0 225 116 A 16 VAL HA A 16 VAL HGx% 1.0 1.8 5.0 226 116 A 16 VAL HA A 16 VAL HGy% 1.0 1.8 5.0 227 117 A 16 VAL H A 16 VAL HA 1.0 1.8 5.0 228 118 A 16 VAL H A 16 VAL HB 1.0 1.8 5.0 229 119 A 16 VAL H A 16 VAL HGx% 1.0 1.8 5.0 230 119 A 16 VAL H A 16 VAL HGy% 1.0 1.8 5.0 231 120 A 16 VAL HA A 16 VAL HB 1.0 1.8 5.0 232 121 A 17 HIS H A 17 HIS HA 1.0 1.8 2.8 233 122 A 17 HIS H A 17 HIS HBy 1.0 1.8 2.8 234 122 A 17 HIS H A 17 HIS HBx 1.0 1.8 2.8 235 123 A 17 HIS H A 17 HIS HBy 1.0 1.8 2.8 236 123 A 17 HIS H A 17 HIS HBx 1.0 1.8 2.8 237 124 A 18 GLY H A 18 GLY HAx 1.0 1.8 2.8 238 124 A 18 GLY H A 18 GLY HAy 1.0 1.8 2.8 239 125 A 19 PHE H A 19 PHE HA 1.0 1.8 2.8 240 126 A 19 PHE H A 19 PHE HBy 1.0 1.8 3.4 241 126 A 19 PHE H A 19 PHE HBx 1.0 1.8 3.4 242 127 A 19 PHE HA A 19 PHE HBy 1.0 1.8 5.0 243 127 A 19 PHE HA A 19 PHE HBx 1.0 1.8 5.0 244 128 A 20 SER H A 20 SER HA 1.0 1.8 2.8 245 129 A 20 SER H A 20 SER HA 1.0 1.8 2.8 246 130 A 21 HIS H A 21 HIS HA 1.0 1.8 3.4 247 131 A 21 HIS HA A 21 HIS HBx 1.0 1.8 5.0 248 131 A 21 HIS HA A 21 HIS HBy 1.0 1.8 5.0 249 132 A 22 VAL H A 22 VAL HB 1.0 1.8 3.4 250 133 A 22 VAL H A 22 VAL HGx% 1.0 1.8 5.0 251 133 A 22 VAL H A 22 VAL HGy% 1.0 1.8 5.0 252 134 A 22 VAL H A 22 VAL HGx% 1.0 1.8 5.0 253 134 A 22 VAL H A 22 VAL HGy% 1.0 1.8 5.0 254 135 A 22 VAL H A 22 VAL HB 1.0 1.8 3.4 255 136 A 22 VAL HA A 22 VAL HGx% 1.0 1.8 5.0 256 136 A 22 VAL HGy% A 22 VAL HA 1.0 1.8 5.0 257 137 A 23 PHE H A 23 PHE HBx 1.0 1.8 5.0 258 137 A 23 PHE H A 23 PHE HBy 1.0 1.8 5.0 259 138 A 23 PHE HA A 23 PHE HBx 1.0 1.8 5.0 260 138 A 23 PHE HBy A 23 PHE HA 1.0 1.8 5.0 261 139 A 3 GLN H A 4 PHE H 1.0 1.8 5.0 262 140 A 2 PHE HA A 3 GLN H 1.0 1.8 3.4 263 141 A 3 GLN HA A 4 PHE H 1.0 1.8 5.0 264 142 A 3 GLN H A 4 PHE H 1.0 1.8 5.0 265 143 A 3 GLN HA A 4 PHE H 1.0 1.8 5.0 266 144 A 4 PHE H A 3 GLN HGy 1.0 1.8 5.0 267 144 A 3 GLN HGx A 4 PHE H 1.0 1.8 5.0 268 145 A 4 PHE H A 3 GLN HBy 1.0 1.8 5.0 269 145 A 3 GLN HBx A 4 PHE H 1.0 1.8 5.0 270 146 A 4 PHE H A 5 LEU HG 1.0 1.8 5.0 271 147 A 4 PHE H A 5 LEU HDx% 1.0 1.8 5.0 272 147 A 4 PHE H A 5 LEU HDy% 1.0 1.8 5.0 273 148 A 5 LEU H A 4 PHE HBx 1.0 1.8 5.0 274 148 A 4 PHE HBy A 5 LEU H 1.0 1.8 5.0 275 149 A 5 LEU H A 6 GLY H 1.0 1.8 5.0 276 150 A 4 PHE HA A 5 LEU H 1.0 1.8 5.0 277 151 A 5 LEU H A 4 PHE HBx 1.0 1.8 3.4 278 151 A 4 PHE HBy A 5 LEU H 1.0 1.8 3.4 279 152 A 5 LEU H A 6 GLY H 1.0 1.8 5.0 280 153 A 6 GLY H A 7 LYS H 1.0 1.8 5.0 281 154 A 5 LEU HA A 6 GLY H 1.0 1.8 5.0 282 155 A 6 GLY H A 5 LEU HBx 1.0 1.8 3.4 283 155 A 5 LEU HBy A 6 GLY H 1.0 1.8 3.4 284 156 A 6 GLY H A 7 LYS H 1.0 1.8 5.0 285 157 A 7 LYS H A 6 GLY HAx 1.0 1.8 5.0 286 157 A 6 GLY HAy A 7 LYS H 1.0 1.8 5.0 287 158 A 7 LYS HDx A 8 ILE HG1y 1.0 1.8 5.0 288 158 A 7 LYS HDy A 8 ILE HG1y 1.0 1.8 5.0 289 158 A 8 ILE HG1x A 7 LYS HDy 1.0 1.8 5.0 290 158 A 7 LYS HDx A 8 ILE HG1x 1.0 1.8 5.0 291 159 A 8 ILE HB A 7 LYS HDy 1.0 1.8 5.0 292 159 A 7 LYS HDx A 8 ILE HB 1.0 1.8 5.0 293 160 A 8 ILE H A 9 ILE H 1.0 1.8 5.0 294 161 A 7 LYS HA A 8 ILE H 1.0 1.8 3.4 295 162 A 8 ILE H A 9 ILE HG1y 1.0 1.8 5.0 296 162 A 8 ILE H A 9 ILE HG1x 1.0 1.8 5.0 297 163 A 8 ILE HB A 9 ILE H 1.0 1.8 5.0 298 164 A 8 ILE H A 9 ILE H 1.0 1.8 5.0 299 165 A 9 ILE H A 10 HIS H 1.0 1.8 5.0 300 166 A 8 ILE HA A 9 ILE H 1.0 1.8 5.0 301 167 A 9 ILE H A 10 HIS HBx 1.0 1.8 5.0 302 167 A 9 ILE H A 10 HIS HBy 1.0 1.8 5.0 303 168 A 8 ILE HB A 9 ILE H 1.0 1.8 5.0 304 169 A 9 ILE H A 8 ILE HG1y 1.0 1.8 5.0 305 169 A 8 ILE HG1x A 9 ILE H 1.0 1.8 5.0 306 170 A 9 ILE HD1% A 10 HIS HBx 1.0 1.8 5.0 307 170 A 9 ILE HD1% A 10 HIS HBy 1.0 1.8 5.0 308 171 A 9 ILE H A 10 HIS H 1.0 1.8 5.0 309 172 A 9 ILE HA A 10 HIS H 1.0 1.8 3.4 310 173 A 9 ILE HB A 10 HIS H 1.0 1.8 3.4 311 174 A 11 HIS H A 12 VAL H 1.0 1.8 5.0 312 175 A 11 HIS H A 12 VAL HGx% 1.0 1.8 5.0 313 175 A 11 HIS H A 12 VAL HGy% 1.0 1.8 5.0 314 176 A 12 VAL H A 11 HIS HBy 1.0 1.8 5.0 315 176 A 11 HIS HBx A 12 VAL H 1.0 1.8 5.0 316 177 A 11 HIS H A 12 VAL H 1.0 1.8 5.0 317 178 A 11 HIS HA A 12 VAL H 1.0 1.8 5.0 318 179 A 12 VAL H A 11 HIS HBy 1.0 1.8 5.0 319 179 A 11 HIS HBx A 12 VAL H 1.0 1.8 5.0 320 180 A 11 HIS H A 12 VAL HGx% 1.0 1.8 5.0 321 180 A 11 HIS H A 12 VAL HGy% 1.0 1.8 5.0 322 181 A 13 GLY H A 14 ASN H 1.0 1.8 5.0 323 182 A 12 VAL HB A 13 GLY H 1.0 1.8 3.4 324 183 A 13 GLY H A 12 VAL HGx% 1.0 1.8 5.0 325 183 A 12 VAL HGy% A 13 GLY H 1.0 1.8 5.0 326 184 A 13 GLY H A 14 ASN H 1.0 1.8 5.0 327 185 A 14 ASN H A 13 GLY HAy 1.0 1.8 3.4 328 185 A 13 GLY HAx A 14 ASN H 1.0 1.8 3.4 329 186 A 15 PHE H A 14 ASN HBy 1.0 1.8 5.0 330 186 A 14 ASN HBx A 15 PHE H 1.0 1.8 5.0 331 187 A 15 PHE H A 16 VAL H 1.0 1.8 5.0 332 188 A 14 ASN HA A 15 PHE H 1.0 1.8 5.0 333 189 A 15 PHE H A 14 ASN HBy 1.0 1.8 5.0 334 189 A 14 ASN HBx A 15 PHE H 1.0 1.8 5.0 335 190 A 15 PHE H A 16 VAL HGx% 1.0 1.8 5.0 336 190 A 15 PHE H A 16 VAL HGy% 1.0 1.8 5.0 337 191 A 16 VAL H A 15 PHE HBy 1.0 1.8 5.0 338 191 A 15 PHE HBx A 16 VAL H 1.0 1.8 5.0 339 192 A 15 PHE H A 16 VAL H 1.0 1.8 5.0 340 193 A 15 PHE HA A 16 VAL H 1.0 1.8 5.0 341 194 A 16 VAL H A 15 PHE HBy 1.0 1.8 5.0 342 194 A 15 PHE HBx A 16 VAL H 1.0 1.8 5.0 343 195 A 15 PHE HBy A 16 VAL HGx% 1.0 1.8 5.0 344 195 A 15 PHE HBx A 16 VAL HGx% 1.0 1.8 5.0 345 195 A 16 VAL HGy% A 15 PHE HBy 1.0 1.8 5.0 346 195 A 15 PHE HBx A 16 VAL HGy% 1.0 1.8 5.0 347 196 A 16 VAL HA A 17 HIS H 1.0 1.8 5.0 348 197 A 15 PHE H A 16 VAL HGx% 1.0 1.8 5.0 349 197 A 15 PHE H A 16 VAL HGy% 1.0 1.8 5.0 350 198 A 17 HIS H A 18 GLY H 1.0 1.8 5.0 351 199 A 16 VAL H A 17 HIS H 1.0 1.8 5.0 352 200 A 16 VAL HA A 17 HIS H 1.0 1.8 3.4 353 201 A 16 VAL HB A 17 HIS H 1.0 1.8 3.4 354 202 A 17 HIS H A 16 VAL HGx% 1.0 1.8 5.0 355 202 A 16 VAL HGy% A 17 HIS H 1.0 1.8 5.0 356 203 A 18 GLY H A 19 PHE H 1.0 1.8 3.4 357 204 A 17 HIS H A 18 GLY H 1.0 1.8 5.0 358 205 A 19 PHE H A 18 GLY HAx 1.0 1.8 5.0 359 205 A 18 GLY HAy A 19 PHE H 1.0 1.8 5.0 360 206 A 12 VAL HA A 13 GLY H 1.0 1.8 3.4 361 207 A 19 PHE H A 20 SER H 1.0 1.8 5.0 362 208 A 19 PHE H A 18 GLY HAx 1.0 1.8 3.4 363 208 A 18 GLY HAy A 19 PHE H 1.0 1.8 3.4 364 209 A 20 SER H A 19 PHE HBy 1.0 1.8 5.0 365 209 A 19 PHE HBx A 20 SER H 1.0 1.8 5.0 366 210 A 19 PHE HA A 20 SER H 1.0 1.8 3.4 367 211 A 21 HIS H A 20 SER HBx 1.0 1.8 5.0 368 211 A 21 HIS H A 20 SER HBy 1.0 1.8 5.0 369 212 A 21 HIS H A 22 VAL H 1.0 1.8 5.0 370 213 A 20 SER HA A 21 HIS H 1.0 1.8 3.4 371 214 A 21 HIS H A 22 VAL H 1.0 1.8 5.0 372 215 A 21 HIS HA A 22 VAL H 1.0 1.8 5.0 373 216 A 22 VAL H A 21 HIS HBx 1.0 1.8 5.0 374 216 A 21 HIS HBy A 22 VAL H 1.0 1.8 5.0 375 217 A 22 VAL HA A 23 PHE H 1.0 1.8 5.0 376 218 A 22 VAL HB A 23 PHE H 1.0 1.8 3.4 377 219 A 23 PHE H A 22 VAL HGx% 1.0 1.8 5.0 378 219 A 22 VAL HGy% A 23 PHE H 1.0 1.8 5.0 379 220 A 3 GLN H A 5 LEU H 1.0 1.8 5.0 380 221 A 5 LEU HBx A 8 ILE HG1y 1.0 1.8 5.0 381 221 A 5 LEU HBy A 8 ILE HG1y 1.0 1.8 5.0 382 221 A 8 ILE HG1x A 5 LEU HBx 1.0 1.8 5.0 383 221 A 5 LEU HBy A 8 ILE HG1x 1.0 1.8 5.0 384 222 A 5 LEU HA A 8 ILE H 1.0 1.8 5.0 385 223 A 3 GLN H A 5 LEU H 1.0 1.8 5.0 386 224 A 3 GLN HA A 6 GLY H 1.0 1.8 5.0 387 225 A 9 ILE H A 6 GLY HAx 1.0 1.8 5.0 388 225 A 6 GLY HAy A 9 ILE H 1.0 1.8 5.0 389 226 A 3 GLN HA A 6 GLY H 1.0 1.8 5.0 390 227 A 7 LYS HA A 10 HIS HBx 1.0 1.8 5.0 391 227 A 7 LYS HA A 10 HIS HBy 1.0 1.8 5.0 392 228 A 5 LEU HA A 8 ILE H 1.0 1.8 5.0 393 229 A 8 ILE HA A 11 HIS H 1.0 1.8 5.0 394 230 A 9 ILE H A 6 GLY HAx 1.0 1.8 5.0 395 230 A 6 GLY HAy A 9 ILE H 1.0 1.8 5.0 396 231 A 7 LYS HA A 10 HIS H 1.0 1.8 5.0 397 232 A 7 LYS HA A 10 HIS HBx 1.0 1.8 5.0 398 232 A 7 LYS HA A 10 HIS HBy 1.0 1.8 5.0 399 233 A 8 ILE HA A 11 HIS H 1.0 1.8 5.0 400 234 A 13 GLY H A 15 PHE H 1.0 1.8 5.0 401 235 A 17 HIS H A 13 GLY HAy 1.0 1.8 5.0 402 235 A 13 GLY HAx A 17 HIS H 1.0 1.8 5.0 403 236 A 13 GLY H A 15 PHE H 1.0 1.8 5.0 404 237 A 16 VAL HA A 19 PHE H 1.0 1.8 5.0 405 238 A 17 HIS H A 13 GLY HAy 1.0 1.8 5.0 406 238 A 13 GLY HAx A 17 HIS H 1.0 1.8 5.0 407 239 A 21 HIS H A 18 GLY HAx 1.0 1.8 5.0 408 239 A 18 GLY HAy A 21 HIS H 1.0 1.8 5.0 409 240 A 16 VAL HA A 19 PHE H 1.0 1.8 5.0 410 241 A 21 HIS H A 18 GLY HAx 1.0 1.8 5.0 411 241 A 18 GLY HAy A 21 HIS H 1.0 1.8 5.0 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 ppm . . 6009.615 . . . . 2 ppm . . 11319.045 . . . . 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 ppm . . 8802.817 . . . . 2 ppm . . 2000.000 . . . . 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 ppm . . 6009.615 . . . . 2 ppm . . 6009.594 . . . . 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 ppm . . 6009.615 . . . . 2 ppm . . 6009.595 . . . . stop_ save_