data_nef_c30342_6aza 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 6AZA 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 2 CYS SG 1 16 CYS SG 1 5 CYS SG 1 10 CYS SG 1 17 GLY C 1 18 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 ARG start . . 2 A 2 CYS middle -HG . 3 A 3 LYS middle . . 4 A 4 THR middle . . 5 A 5 CYS middle -HG . 6 A 6 SER middle . . 7 A 7 LYS middle . . 8 A 8 GLY middle . false 9 A 9 ARG middle . . 10 A 10 CYS middle -HG . 11 A 11 ARG middle . . 12 A 12 PRO middle . false 13 A 13 LYS middle . . 14 A 14 PRO middle . false 15 A 15 ASN middle . . 16 A 16 CYS middle -HG . 17 A 17 GLY middle -OXT false 18 A 18 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 ARG HA H 1 3.817 0.001 A 1 ARG HBx H 1 1.693 0.001 A 1 ARG HBy H 1 1.693 0.001 A 1 ARG HDx H 1 2.980 0.002 A 1 ARG HDy H 1 2.980 0.002 A 1 ARG HGx H 1 1.428 0.000 A 1 ARG HGy H 1 1.428 0.000 A 1 ARG CA C 13 55.403 0.000 A 1 ARG CB C 13 31.160 0.000 A 1 ARG CD C 13 42.915 0.000 A 1 ARG CG C 13 26.126 0.000 A 2 CYS HA H 1 4.465 0.002 A 2 CYS HBx H 1 2.808 0.003 A 2 CYS HBy H 1 3.098 0.005 A 2 CYS CA C 13 55.505 0.000 A 2 CYS CB C 13 40.615 0.052 A 3 LYS H H 1 8.369 0.002 A 3 LYS HA H 1 4.442 0.002 A 3 LYS HBy H 1 1.492 0.001 A 3 LYS HBx H 1 1.464 0.000 A 3 LYS HDx H 1 1.356 0.001 A 3 LYS HDy H 1 1.473 0.001 A 3 LYS HEx H 1 2.694 0.001 A 3 LYS HEy H 1 2.694 0.001 A 3 LYS HGy H 1 1.153 0.001 A 3 LYS HGx H 1 1.106 0.000 A 3 LYS CA C 13 55.709 0.000 A 3 LYS CB C 13 34.528 0.003 A 3 LYS CD C 13 29.194 0.000 A 3 LYS CE C 13 41.845 0.000 A 3 LYS CG C 13 24.398 0.004 A 3 LYS N N 15 122.509 0.000 A 4 THR H H 1 8.469 0.002 A 4 THR HA H 1 4.183 0.001 A 4 THR HB H 1 3.809 0.001 A 4 THR HG2% H 1 0.957 0.001 A 4 THR CA C 13 61.425 0.000 A 4 THR CB C 13 69.799 0.000 A 4 THR CG2 C 13 21.219 0.000 A 4 THR N N 15 117.614 0.000 A 5 CYS H H 1 8.642 0.000 A 5 CYS HA H 1 4.968 0.001 A 5 CYS HBy H 1 2.827 0.004 A 5 CYS HBx H 1 2.734 0.002 A 5 CYS CA C 13 55.300 0.000 A 5 CYS CB C 13 45.223 0.005 A 5 CYS N N 15 124.221 0.000 A 6 SER H H 1 8.530 0.001 A 6 SER HA H 1 4.249 0.003 A 6 SER HBy H 1 3.611 0.003 A 6 SER HBx H 1 3.554 0.004 A 6 SER CA C 13 58.243 0.000 A 6 SER CB C 13 63.814 0.025 A 6 SER N N 15 118.392 0.000 A 7 LYS H H 1 8.702 0.002 A 7 LYS HA H 1 3.873 0.002 A 7 LYS HBy H 1 1.690 0.001 A 7 LYS HBx H 1 1.601 0.001 A 7 LYS HDx H 1 1.435 0.003 A 7 LYS HDy H 1 1.435 0.003 A 7 LYS HEx H 1 2.736 0.001 A 7 LYS HEy H 1 2.736 0.001 A 7 LYS HGy H 1 1.188 0.018 A 7 LYS HGx H 1 1.149 0.002 A 7 LYS CA C 13 56.749 0.000 A 7 LYS CB C 13 30.797 0.003 A 7 LYS CD C 13 28.899 0.000 A 7 LYS CE C 13 41.941 0.000 A 7 LYS CG C 13 24.654 0.000 A 7 LYS N N 15 123.016 0.000 A 8 GLY H H 1 8.447 0.002 A 8 GLY HAy H 1 3.889 0.003 A 8 GLY HAx H 1 3.447 0.002 A 8 GLY CA C 13 45.119 0.008 A 8 GLY N N 15 107.178 0.000 A 9 ARG H H 1 7.833 0.002 A 9 ARG HA H 1 4.290 0.002 A 9 ARG HBy H 1 1.627 0.002 A 9 ARG HBx H 1 1.573 0.001 A 9 ARG HDx H 1 2.958 0.002 A 9 ARG HDy H 1 2.958 0.002 A 9 ARG HE H 1 7.002 0.005 A 9 ARG HGy H 1 1.404 0.002 A 9 ARG HGx H 1 1.326 0.001 A 9 ARG CA C 13 55.237 0.000 A 9 ARG CB C 13 30.955 0.005 A 9 ARG CD C 13 43.300 0.000 A 9 ARG CG C 13 26.875 0.000 A 9 ARG N N 15 120.407 0.000 A 9 ARG NE N 15 84.311 0.000 A 10 CYS H H 1 8.518 0.001 A 10 CYS HA H 1 4.936 0.001 A 10 CYS HBy H 1 2.780 0.000 A 10 CYS HBx H 1 2.674 0.001 A 10 CYS CA C 13 55.015 0.000 A 10 CYS CB C 13 44.477 0.010 A 10 CYS N N 15 121.295 0.000 A 11 ARG H H 1 8.626 0.004 A 11 ARG HA H 1 4.543 0.003 A 11 ARG HBy H 1 1.610 0.001 A 11 ARG HBx H 1 1.500 0.002 A 11 ARG HDx H 1 2.965 0.003 A 11 ARG HDy H 1 2.965 0.003 A 11 ARG HE H 1 7.037 0.000 A 11 ARG HGx H 1 1.412 0.001 A 11 ARG HGy H 1 1.412 0.001 A 11 ARG CA C 13 53.377 0.000 A 11 ARG CB C 13 30.693 0.000 A 11 ARG CD C 13 43.107 0.000 A 11 ARG CG C 13 26.146 0.000 A 11 ARG N N 15 123.138 0.000 A 11 ARG NE N 15 84.365 0.000 A 12 PRO HA H 1 4.276 0.002 A 12 PRO HBy H 1 2.060 0.001 A 12 PRO HBx H 1 1.616 0.002 A 12 PRO HDx H 1 3.414 0.001 A 12 PRO HDy H 1 3.581 0.001 A 12 PRO HGx H 1 1.744 0.001 A 12 PRO HGy H 1 1.832 0.001 A 12 PRO CA C 13 62.926 0.000 A 12 PRO CB C 13 32.063 0.007 A 12 PRO CD C 13 50.526 0.001 A 12 PRO CG C 13 27.268 0.004 A 13 LYS H H 1 7.975 0.002 A 13 LYS HA H 1 4.409 0.005 A 13 LYS HBy H 1 1.568 0.001 A 13 LYS HBx H 1 1.368 0.001 A 13 LYS HDx H 1 1.433 0.001 A 13 LYS HDy H 1 1.433 0.001 A 13 LYS HEx H 1 2.743 0.002 A 13 LYS HEy H 1 2.743 0.002 A 13 LYS HGx H 1 1.197 0.001 A 13 LYS HGy H 1 1.197 0.001 A 13 LYS CA C 13 55.898 0.000 A 13 LYS CB C 13 33.269 0.003 A 13 LYS CD C 13 29.354 0.000 A 13 LYS CE C 13 41.861 0.000 A 13 LYS CG C 13 24.880 0.000 A 13 LYS N N 15 123.183 0.000 A 14 PRO HA H 1 4.101 0.001 A 14 PRO HBy H 1 2.056 0.001 A 14 PRO HBx H 1 1.662 0.001 A 14 PRO HDy H 1 3.570 0.002 A 14 PRO HDx H 1 3.459 0.002 A 14 PRO HGy H 1 1.816 0.002 A 14 PRO HGx H 1 1.767 0.001 A 14 PRO CA C 13 63.719 0.000 A 14 PRO CB C 13 31.930 0.009 A 14 PRO CD C 13 50.475 0.010 A 14 PRO CG C 13 27.216 0.010 A 15 ASN H H 1 8.329 0.001 A 15 ASN HA H 1 4.334 0.003 A 15 ASN HBy H 1 2.634 0.003 A 15 ASN HBx H 1 2.584 0.001 A 15 ASN HD2x H 1 6.741 0.001 A 15 ASN HD2y H 1 7.456 0.000 A 15 ASN CA C 13 53.351 0.000 A 15 ASN CB C 13 37.761 0.008 A 15 ASN N N 15 115.148 0.000 A 15 ASN ND2 N 15 113.390 0.006 A 16 CYS H H 1 8.037 0.001 A 16 CYS HA H 1 4.421 0.008 A 16 CYS HBy H 1 2.989 0.001 A 16 CYS HBx H 1 2.741 0.001 A 16 CYS CA C 13 53.632 0.000 A 16 CYS CB C 13 40.643 0.019 A 16 CYS N N 15 118.344 0.000 A 17 GLY H H 1 8.399 0.001 A 17 GLY HAx H 1 3.687 0.001 A 17 GLY HAy H 1 3.687 0.001 A 17 GLY CA C 13 44.918 0.000 A 17 GLY N N 15 112.340 0.000 A 18 NH2 HN1 H 1 6.950 0.000 A 18 NH2 HN2 H 1 7.305 0.000 A 18 NH2 N N 15 107.477 0.000 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _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 10 CYS HBy A 11 ARG H 1.0 . 5.50 2 2 A 4 THR HB A 5 CYS H 1.0 . 5.50 3 3 A 11 ARG H A 11 ARG HDx 1.0 . 5.50 4 3 A 11 ARG H A 11 ARG HDy 1.0 . 5.50 5 4 A 11 ARG H A 10 CYS HBx 1.0 . 5.50 6 5 A 5 CYS H A 4 THR HG2% 1.0 . 5.50 7 6 A 11 ARG H A 11 ARG HGx 1.0 . 5.50 8 6 A 11 ARG H A 11 ARG HGy 1.0 . 5.50 9 7 A 5 CYS H A 4 THR H 1.0 . 5.50 10 8 A 7 LYS H A 8 GLY H 1.0 . 5.50 11 9 A 8 GLY H A 9 ARG H 1.0 . 5.50 12 10 A 9 ARG H A 6 SER H 1.0 . 5.50 13 11 A 9 ARG H A 10 CYS H 1.0 . 5.50 14 12 A 4 THR HG2% A 4 THR H 1.0 . 5.50 15 13 A 8 GLY H A 7 LYS HBx 1.0 . 5.50 16 14 A 4 THR H A 3 LYS HBy 1.0 . 5.50 17 15 A 4 THR H A 3 LYS HBx 1.0 . 5.50 18 16 A 8 GLY H A 7 LYS HBy 1.0 . 5.50 19 17 A 3 LYS H A 3 LYS HGx 1.0 . 5.50 20 18 A 3 LYS H A 3 LYS HGy 1.0 . 5.50 21 19 A 3 LYS H A 3 LYS HEx 1.0 . 5.50 22 19 A 3 LYS H A 3 LYS HEy 1.0 . 5.50 23 20 A 15 ASN H A 14 PRO HDx 1.0 . 5.50 24 21 A 13 LYS H A 13 LYS HDx 1.0 . 5.50 25 21 A 13 LYS H A 13 LYS HDy 1.0 . 5.50 26 22 A 13 LYS H A 13 LYS HEx 1.0 . 5.50 27 22 A 13 LYS H A 13 LYS HEy 1.0 . 5.50 28 23 A 15 ASN H A 14 PRO HDy 1.0 . 5.50 29 24 A 17 GLY H A 16 CYS HBy 1.0 . 5.50 30 25 A 17 GLY H A 16 CYS HBx 1.0 . 5.50 31 26 A 13 LYS H A 13 LYS HGx 1.0 . 5.50 32 26 A 13 LYS H A 13 LYS HGy 1.0 . 5.50 33 27 A 15 ASN H A 13 LYS HGx 1.0 . 5.50 34 27 A 15 ASN H A 13 LYS HGy 1.0 . 5.50 35 28 A 13 LYS H A 12 PRO HGy 1.0 . 5.50 36 29 A 13 LYS H A 12 PRO HGx 1.0 . 5.50 37 30 A 9 ARG H A 9 ARG HGy 1.0 . 5.50 38 31 A 9 ARG H A 9 ARG HGx 1.0 . 5.50 39 32 A 13 LYS H A 14 PRO HDy 1.0 . 5.50 40 33 A 13 LYS H A 14 PRO HDx 1.0 . 5.50 41 34 A 9 ARG H A 7 LYS HA 1.0 . 5.50 42 35 A 6 SER H A 5 CYS HBx 1.0 . 5.50 43 36 A 6 SER H A 5 CYS HBy 1.0 . 5.50 44 37 A 11 ARG HGy A 12 PRO HDy 1.0 . 5.50 45 37 A 11 ARG HGx A 12 PRO HDy 1.0 . 5.50 46 38 A 14 PRO HDy A 13 LYS HDx 1.0 . 5.50 47 38 A 13 LYS HDy A 14 PRO HDy 1.0 . 5.50 48 39 A 11 ARG HGy A 12 PRO HDx 1.0 . 5.50 49 39 A 12 PRO HDx A 11 ARG HGx 1.0 . 5.50 50 40 A 13 LYS HDy A 14 PRO HDx 1.0 . 5.50 51 40 A 13 LYS HDx A 14 PRO HDx 1.0 . 5.50 52 41 A 5 CYS HBy A 10 CYS HA 1.0 . 5.50 53 42 A 5 CYS HBx A 10 CYS HA 1.0 . 5.50 54 43 A 7 LYS HA A 7 LYS HDx 1.0 . 5.50 55 43 A 7 LYS HA A 7 LYS HDy 1.0 . 5.50 56 44 A 12 PRO HGy A 11 ARG HA 1.0 . 5.50 57 45 A 12 PRO HGx A 11 ARG HA 1.0 . 5.50 58 46 A 13 LYS HGy A 14 PRO HDy 1.0 . 5.50 59 46 A 14 PRO HDy A 13 LYS HGx 1.0 . 5.50 60 47 A 13 LYS HGy A 14 PRO HDx 1.0 . 5.50 61 47 A 13 LYS HGx A 14 PRO HDx 1.0 . 5.50 62 48 A 9 ARG HA A 9 ARG HGy 1.0 . 2.70 63 49 A 9 ARG HA A 9 ARG HGx 1.0 . 2.70 64 50 A 1 ARG HBx A 1 ARG HDx 1.0 . 2.40 65 50 A 1 ARG HBy A 1 ARG HDx 1.0 . 2.40 66 50 A 1 ARG HDy A 1 ARG HBx 1.0 . 2.40 67 50 A 1 ARG HBy A 1 ARG HDy 1.0 . 2.40 68 51 A 1 ARG HDy A 1 ARG HGx 1.0 . 2.62 69 51 A 1 ARG HDx A 1 ARG HGx 1.0 . 2.62 70 51 A 1 ARG HGy A 1 ARG HDx 1.0 . 2.62 71 51 A 1 ARG HDy A 1 ARG HGy 1.0 . 2.62 72 52 A 11 ARG HDy A 11 ARG HGx 1.0 . 2.87 73 52 A 11 ARG HDx A 11 ARG HGx 1.0 . 2.87 74 52 A 11 ARG HGy A 11 ARG HDx 1.0 . 2.87 75 52 A 11 ARG HDy A 11 ARG HGy 1.0 . 2.87 76 53 A 4 THR H A 3 LYS HGx 1.0 . 5.34 77 53 A 4 THR H A 3 LYS HGy 1.0 . 5.34 78 54 A 6 SER H A 9 ARG HBy 1.0 . 5.34 79 54 A 6 SER H A 9 ARG HBx 1.0 . 5.34 80 55 A 7 LYS HBx A 8 GLY HAy 1.0 . 5.18 81 55 A 7 LYS HBy A 8 GLY HAy 1.0 . 5.18 82 55 A 8 GLY HAx A 7 LYS HBx 1.0 . 5.18 83 55 A 7 LYS HBy A 8 GLY HAx 1.0 . 5.18 84 56 A 8 GLY H A 7 LYS HGy 1.0 . 5.34 85 56 A 8 GLY H A 7 LYS HGx 1.0 . 5.34 86 57 A 9 ARG HA A 9 ARG HBy 1.0 . 2.52 87 57 A 9 ARG HA A 9 ARG HBx 1.0 . 2.52 88 58 A 9 ARG HBx A 9 ARG HDx 1.0 . 2.39 89 58 A 9 ARG HBy A 9 ARG HDx 1.0 . 2.39 90 58 A 9 ARG HDy A 9 ARG HBy 1.0 . 2.39 91 58 A 9 ARG HBx A 9 ARG HDy 1.0 . 2.39 92 59 A 9 ARG HDx A 9 ARG HGx 1.0 . 2.31 93 59 A 9 ARG HDy A 9 ARG HGx 1.0 . 2.31 94 59 A 9 ARG HGy A 9 ARG HDx 1.0 . 2.31 95 59 A 9 ARG HDy A 9 ARG HGy 1.0 . 2.31 96 60 A 11 ARG HBx A 11 ARG HDx 1.0 . 2.39 97 60 A 11 ARG HBy A 11 ARG HDx 1.0 . 2.39 98 60 A 11 ARG HDy A 11 ARG HBy 1.0 . 2.39 99 60 A 11 ARG HDy A 11 ARG HBx 1.0 . 2.39 100 61 A 11 ARG HBy A 12 PRO HDy 1.0 . 4.53 101 61 A 11 ARG HBx A 12 PRO HDy 1.0 . 4.53 102 61 A 12 PRO HDx A 11 ARG HBy 1.0 . 4.53 103 61 A 11 ARG HBx A 12 PRO HDx 1.0 . 4.53 104 62 A 13 LYS H A 12 PRO HDy 1.0 . 4.96 105 62 A 13 LYS H A 12 PRO HDx 1.0 . 4.96 106 63 A 13 LYS H A 16 CYS HBx 1.0 . 5.34 107 63 A 13 LYS H A 16 CYS HBy 1.0 . 5.34 108 64 A 13 LYS HBy A 14 PRO HDx 1.0 . 4.76 109 64 A 13 LYS HBx A 14 PRO HDx 1.0 . 4.76 110 64 A 14 PRO HDy A 13 LYS HBy 1.0 . 4.76 111 64 A 13 LYS HBx A 14 PRO HDy 1.0 . 4.76 112 65 A 15 ASN H A 13 LYS HBy 1.0 . 5.34 113 65 A 15 ASN H A 13 LYS HBx 1.0 . 5.34 114 66 A 15 ASN H A 14 PRO HGy 1.0 . 5.03 115 66 A 15 ASN H A 14 PRO HGx 1.0 . 5.03 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin undefined _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 5 CYS SG A 10 CYS SG 1.0 . 2.1 2 2 A 5 CYS SG A 10 CYS CB 1.0 . 3.1 3 3 A 10 CYS SG A 5 CYS CB 1.0 . 3.1 4 4 A 16 CYS SG A 2 CYS SG 1.0 . 2.1 5 5 A 16 CYS SG A 2 CYS CB 1.0 . 3.1 6 6 A 2 CYS SG A 16 CYS CB 1.0 . 3.1 7 7 A 5 CYS SG A 10 CYS SG 1.0 . 2.0 8 8 A 5 CYS SG A 10 CYS CB 1.0 . 3.0 9 9 A 10 CYS SG A 5 CYS CB 1.0 . 3.0 10 10 A 16 CYS SG A 2 CYS SG 1.0 . 2.0 11 11 A 16 CYS SG A 2 CYS CB 1.0 . 3.0 12 12 A 2 CYS SG A 16 CYS CB 1.0 . 3.0 stop_ save_ save_DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_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 ARG N A 1 ARG CA A 1 ARG C A 2 CYS N 1.0 -75.0 185.0 PSI 2 2 A 1 ARG N A 1 ARG CA A 1 ARG C A 2 CYS N 1.0 25.0 55.0 PSI 3 3 A 1 ARG N A 1 ARG CA A 1 ARG C A 2 CYS N 1.0 105.0 185.0 PSI 4 4 A 1 ARG C A 2 CYS N A 2 CYS CA A 2 CYS C 1.0 -175.0 75.0 PHI 5 5 A 1 ARG C A 2 CYS N A 2 CYS CA A 2 CYS C 1.0 -255.0 -25.0 PHI 6 6 A 1 ARG C A 2 CYS N A 2 CYS CA A 2 CYS C 1.0 -135.0 75.0 PHI 7 7 A 2 CYS N A 2 CYS CA A 2 CYS C A 3 LYS N 1.0 -75.0 185.0 PSI 8 8 A 2 CYS N A 2 CYS CA A 2 CYS C A 3 LYS N 1.0 25.0 55.0 PSI 9 9 A 2 CYS N A 2 CYS CA A 2 CYS C A 3 LYS N 1.0 105.0 185.0 PSI 10 10 A 2 CYS C A 3 LYS N A 3 LYS CA A 3 LYS C 1.0 -175.0 75.0 PHI 11 11 A 2 CYS C A 3 LYS N A 3 LYS CA A 3 LYS C 1.0 -255.0 -25.0 PHI 12 12 A 2 CYS C A 3 LYS N A 3 LYS CA A 3 LYS C 1.0 -135.0 75.0 PHI 13 13 A 3 LYS N A 3 LYS CA A 3 LYS C A 4 THR N 1.0 -75.0 185.0 PSI 14 14 A 3 LYS N A 3 LYS CA A 3 LYS C A 4 THR N 1.0 25.0 55.0 PSI 15 15 A 3 LYS N A 3 LYS CA A 3 LYS C A 4 THR N 1.0 105.0 185.0 PSI 16 16 A 3 LYS C A 4 THR N A 4 THR CA A 4 THR C 1.0 -175.0 75.0 PHI 17 17 A 3 LYS C A 4 THR N A 4 THR CA A 4 THR C 1.0 -255.0 -25.0 PHI 18 18 A 3 LYS C A 4 THR N A 4 THR CA A 4 THR C 1.0 -135.0 75.0 PHI 19 19 A 4 THR N A 4 THR CA A 4 THR C A 5 CYS N 1.0 -75.0 185.0 PSI 20 20 A 4 THR N A 4 THR CA A 4 THR C A 5 CYS N 1.0 25.0 55.0 PSI 21 21 A 4 THR N A 4 THR CA A 4 THR C A 5 CYS N 1.0 105.0 185.0 PSI 22 22 A 4 THR C A 5 CYS N A 5 CYS CA A 5 CYS C 1.0 -175.0 75.0 PHI 23 23 A 4 THR C A 5 CYS N A 5 CYS CA A 5 CYS C 1.0 -255.0 -25.0 PHI 24 24 A 4 THR C A 5 CYS N A 5 CYS CA A 5 CYS C 1.0 -135.0 75.0 PHI 25 25 A 5 CYS N A 5 CYS CA A 5 CYS C A 6 SER N 1.0 -75.0 185.0 PSI 26 26 A 5 CYS N A 5 CYS CA A 5 CYS C A 6 SER N 1.0 25.0 55.0 PSI 27 27 A 5 CYS N A 5 CYS CA A 5 CYS C A 6 SER N 1.0 105.0 185.0 PSI 28 28 A 5 CYS C A 6 SER N A 6 SER CA A 6 SER C 1.0 -175.0 75.0 PHI 29 29 A 5 CYS C A 6 SER N A 6 SER CA A 6 SER C 1.0 -255.0 -25.0 PHI 30 30 A 5 CYS C A 6 SER N A 6 SER CA A 6 SER C 1.0 -135.0 75.0 PHI 31 31 A 6 SER N A 6 SER CA A 6 SER C A 7 LYS N 1.0 -75.0 185.0 PSI 32 32 A 6 SER N A 6 SER CA A 6 SER C A 7 LYS N 1.0 25.0 55.0 PSI 33 33 A 6 SER N A 6 SER CA A 6 SER C A 7 LYS N 1.0 105.0 185.0 PSI 34 34 A 6 SER C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -175.0 75.0 PHI 35 35 A 6 SER C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -255.0 -25.0 PHI 36 36 A 6 SER C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -135.0 75.0 PHI 37 37 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 GLY N 1.0 -75.0 185.0 PSI 38 38 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 GLY N 1.0 25.0 55.0 PSI 39 39 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 GLY N 1.0 105.0 185.0 PSI 40 40 A 8 GLY C A 9 ARG N A 9 ARG CA A 9 ARG C 1.0 -175.0 75.0 PHI 41 41 A 8 GLY C A 9 ARG N A 9 ARG CA A 9 ARG C 1.0 -255.0 -25.0 PHI 42 42 A 8 GLY C A 9 ARG N A 9 ARG CA A 9 ARG C 1.0 -135.0 75.0 PHI 43 43 A 9 ARG N A 9 ARG CA A 9 ARG C A 10 CYS N 1.0 -75.0 185.0 PSI 44 44 A 9 ARG N A 9 ARG CA A 9 ARG C A 10 CYS N 1.0 25.0 55.0 PSI 45 45 A 9 ARG N A 9 ARG CA A 9 ARG C A 10 CYS N 1.0 105.0 185.0 PSI 46 46 A 9 ARG C A 10 CYS N A 10 CYS CA A 10 CYS C 1.0 -175.0 75.0 PHI 47 47 A 9 ARG C A 10 CYS N A 10 CYS CA A 10 CYS C 1.0 -255.0 -25.0 PHI 48 48 A 9 ARG C A 10 CYS N A 10 CYS CA A 10 CYS C 1.0 -135.0 75.0 PHI 49 49 A 10 CYS N A 10 CYS CA A 10 CYS C A 11 ARG N 1.0 -75.0 185.0 PSI 50 50 A 10 CYS N A 10 CYS CA A 10 CYS C A 11 ARG N 1.0 25.0 55.0 PSI 51 51 A 10 CYS N A 10 CYS CA A 10 CYS C A 11 ARG N 1.0 105.0 185.0 PSI 52 52 A 14 PRO C A 15 ASN N A 15 ASN CA A 15 ASN C 1.0 -175.0 75.0 PHI 53 53 A 14 PRO C A 15 ASN N A 15 ASN CA A 15 ASN C 1.0 -255.0 -25.0 PHI 54 54 A 14 PRO C A 15 ASN N A 15 ASN CA A 15 ASN C 1.0 -135.0 75.0 PHI 55 55 A 15 ASN N A 15 ASN CA A 15 ASN C A 16 CYS N 1.0 -75.0 185.0 PSI 56 56 A 15 ASN N A 15 ASN CA A 15 ASN C A 16 CYS N 1.0 25.0 55.0 PSI 57 57 A 15 ASN N A 15 ASN CA A 15 ASN C A 16 CYS N 1.0 105.0 185.0 PSI 58 58 A 15 ASN C A 16 CYS N A 16 CYS CA A 16 CYS C 1.0 -175.0 75.0 PHI 59 59 A 15 ASN C A 16 CYS N A 16 CYS CA A 16 CYS C 1.0 -255.0 -25.0 PHI 60 60 A 15 ASN C A 16 CYS N A 16 CYS CA A 16 CYS C 1.0 -135.0 75.0 PHI 61 61 A 16 CYS N A 16 CYS CA A 16 CYS C A 17 GLY N 1.0 -75.0 185.0 PSI 62 62 A 16 CYS N A 16 CYS CA A 16 CYS C A 17 GLY N 1.0 25.0 55.0 PSI 63 63 A 16 CYS N A 16 CYS CA A 16 CYS C A 17 GLY N 1.0 105.0 185.0 PSI 64 64 A 1 ARG N A 1 ARG CA A 1 ARG CB A 1 ARG CG 1.0 -90.0 210.0 CHI1 65 65 A 1 ARG N A 1 ARG CA A 1 ARG CB A 1 ARG CG 1.0 -330.0 -30.0 CHI1 66 66 A 1 ARG N A 1 ARG CA A 1 ARG CB A 1 ARG CG 1.0 -210.0 90.0 CHI1 67 67 A 1 ARG CA A 1 ARG CB A 1 ARG CG A 1 ARG CD 1.0 -90.0 210.0 CHI2 68 68 A 1 ARG CA A 1 ARG CB A 1 ARG CG A 1 ARG CD 1.0 -330.0 -30.0 CHI2 69 69 A 1 ARG CA A 1 ARG CB A 1 ARG CG A 1 ARG CD 1.0 -210.0 90.0 CHI2 70 70 A 1 ARG CB A 1 ARG CG A 1 ARG CD A 1 ARG NE 1.0 -90.0 210.0 CHI3 71 71 A 1 ARG CB A 1 ARG CG A 1 ARG CD A 1 ARG NE 1.0 -330.0 -30.0 CHI3 72 72 A 1 ARG CB A 1 ARG CG A 1 ARG CD A 1 ARG NE 1.0 -210.0 90.0 CHI3 73 73 A 2 CYS N A 2 CYS CA A 2 CYS CB A 2 CYS SG 1.0 -90.0 210.0 CHI1 74 74 A 2 CYS N A 2 CYS CA A 2 CYS CB A 2 CYS SG 1.0 -330.0 -30.0 CHI1 75 75 A 2 CYS N A 2 CYS CA A 2 CYS CB A 2 CYS SG 1.0 -210.0 90.0 CHI1 76 76 A 3 LYS N A 3 LYS CA A 3 LYS CB A 3 LYS CG 1.0 -90.0 210.0 CHI1 77 77 A 3 LYS N A 3 LYS CA A 3 LYS CB A 3 LYS CG 1.0 -330.0 -30.0 CHI1 78 78 A 3 LYS N A 3 LYS CA A 3 LYS CB A 3 LYS CG 1.0 -210.0 90.0 CHI1 79 79 A 3 LYS CA A 3 LYS CB A 3 LYS CG A 3 LYS CD 1.0 -90.0 210.0 CHI2 80 80 A 3 LYS CA A 3 LYS CB A 3 LYS CG A 3 LYS CD 1.0 -330.0 -30.0 CHI2 81 81 A 3 LYS CA A 3 LYS CB A 3 LYS CG A 3 LYS CD 1.0 -210.0 90.0 CHI2 82 82 A 3 LYS CB A 3 LYS CG A 3 LYS CD A 3 LYS CE 1.0 -90.0 210.0 CHI3 83 83 A 3 LYS CB A 3 LYS CG A 3 LYS CD A 3 LYS CE 1.0 -330.0 -30.0 CHI3 84 84 A 3 LYS CB A 3 LYS CG A 3 LYS CD A 3 LYS CE 1.0 -210.0 90.0 CHI3 85 85 A 3 LYS CG A 3 LYS CD A 3 LYS CE A 3 LYS NZ 1.0 -90.0 210.0 CHI4 86 86 A 3 LYS CG A 3 LYS CD A 3 LYS CE A 3 LYS NZ 1.0 -330.0 -30.0 CHI4 87 87 A 3 LYS CG A 3 LYS CD A 3 LYS CE A 3 LYS NZ 1.0 -210.0 90.0 CHI4 88 88 A 4 THR N A 4 THR CA A 4 THR CB A 4 THR OG1 1.0 -90.0 210.0 CHI1 89 89 A 4 THR N A 4 THR CA A 4 THR CB A 4 THR OG1 1.0 -330.0 -30.0 CHI1 90 90 A 4 THR N A 4 THR CA A 4 THR CB A 4 THR OG1 1.0 -210.0 90.0 CHI1 91 91 A 5 CYS N A 5 CYS CA A 5 CYS CB A 5 CYS SG 1.0 -90.0 210.0 CHI1 92 92 A 5 CYS N A 5 CYS CA A 5 CYS CB A 5 CYS SG 1.0 -330.0 -30.0 CHI1 93 93 A 5 CYS N A 5 CYS CA A 5 CYS CB A 5 CYS SG 1.0 -210.0 90.0 CHI1 94 94 A 6 SER N A 6 SER CA A 6 SER CB A 6 SER OG 1.0 -90.0 210.0 CHI1 95 95 A 6 SER N A 6 SER CA A 6 SER CB A 6 SER OG 1.0 -330.0 -30.0 CHI1 96 96 A 6 SER N A 6 SER CA A 6 SER CB A 6 SER OG 1.0 -210.0 90.0 CHI1 97 97 A 7 LYS N A 7 LYS CA A 7 LYS CB A 7 LYS CG 1.0 -90.0 210.0 CHI1 98 98 A 7 LYS N A 7 LYS CA A 7 LYS CB A 7 LYS CG 1.0 -330.0 -30.0 CHI1 99 99 A 7 LYS N A 7 LYS CA A 7 LYS CB A 7 LYS CG 1.0 -210.0 90.0 CHI1 100 100 A 7 LYS CA A 7 LYS CB A 7 LYS CG A 7 LYS CD 1.0 -90.0 210.0 CHI2 101 101 A 7 LYS CA A 7 LYS CB A 7 LYS CG A 7 LYS CD 1.0 -330.0 -30.0 CHI2 102 102 A 7 LYS CA A 7 LYS CB A 7 LYS CG A 7 LYS CD 1.0 -210.0 90.0 CHI2 103 103 A 7 LYS CB A 7 LYS CG A 7 LYS CD A 7 LYS CE 1.0 -90.0 210.0 CHI3 104 104 A 7 LYS CB A 7 LYS CG A 7 LYS CD A 7 LYS CE 1.0 -330.0 -30.0 CHI3 105 105 A 7 LYS CB A 7 LYS CG A 7 LYS CD A 7 LYS CE 1.0 -210.0 90.0 CHI3 106 106 A 7 LYS CG A 7 LYS CD A 7 LYS CE A 7 LYS NZ 1.0 -90.0 210.0 CHI4 107 107 A 7 LYS CG A 7 LYS CD A 7 LYS CE A 7 LYS NZ 1.0 -330.0 -30.0 CHI4 108 108 A 7 LYS CG A 7 LYS CD A 7 LYS CE A 7 LYS NZ 1.0 -210.0 90.0 CHI4 109 109 A 9 ARG N A 9 ARG CA A 9 ARG CB A 9 ARG CG 1.0 -90.0 210.0 CHI1 110 110 A 9 ARG N A 9 ARG CA A 9 ARG CB A 9 ARG CG 1.0 -330.0 -30.0 CHI1 111 111 A 9 ARG N A 9 ARG CA A 9 ARG CB A 9 ARG CG 1.0 -210.0 90.0 CHI1 112 112 A 9 ARG CA A 9 ARG CB A 9 ARG CG A 9 ARG CD 1.0 -90.0 210.0 CHI2 113 113 A 9 ARG CA A 9 ARG CB A 9 ARG CG A 9 ARG CD 1.0 -330.0 -30.0 CHI2 114 114 A 9 ARG CA A 9 ARG CB A 9 ARG CG A 9 ARG CD 1.0 -210.0 90.0 CHI2 115 115 A 9 ARG CB A 9 ARG CG A 9 ARG CD A 9 ARG NE 1.0 -90.0 210.0 CHI3 116 116 A 9 ARG CB A 9 ARG CG A 9 ARG CD A 9 ARG NE 1.0 -330.0 -30.0 CHI3 117 117 A 9 ARG CB A 9 ARG CG A 9 ARG CD A 9 ARG NE 1.0 -210.0 90.0 CHI3 118 118 A 10 CYS N A 10 CYS CA A 10 CYS CB A 10 CYS SG 1.0 -90.0 210.0 CHI1 119 119 A 10 CYS N A 10 CYS CA A 10 CYS CB A 10 CYS SG 1.0 -330.0 -30.0 CHI1 120 120 A 10 CYS N A 10 CYS CA A 10 CYS CB A 10 CYS SG 1.0 -210.0 90.0 CHI1 121 121 A 11 ARG N A 11 ARG CA A 11 ARG CB A 11 ARG CG 1.0 -90.0 210.0 CHI1 122 122 A 11 ARG N A 11 ARG CA A 11 ARG CB A 11 ARG CG 1.0 -330.0 -30.0 CHI1 123 123 A 11 ARG N A 11 ARG CA A 11 ARG CB A 11 ARG CG 1.0 -210.0 90.0 CHI1 124 124 A 11 ARG CA A 11 ARG CB A 11 ARG CG A 11 ARG CD 1.0 -90.0 210.0 CHI2 125 125 A 11 ARG CA A 11 ARG CB A 11 ARG CG A 11 ARG CD 1.0 -330.0 -30.0 CHI2 126 126 A 11 ARG CA A 11 ARG CB A 11 ARG CG A 11 ARG CD 1.0 -210.0 90.0 CHI2 127 127 A 11 ARG CB A 11 ARG CG A 11 ARG CD A 11 ARG NE 1.0 -90.0 210.0 CHI3 128 128 A 11 ARG CB A 11 ARG CG A 11 ARG CD A 11 ARG NE 1.0 -330.0 -30.0 CHI3 129 129 A 11 ARG CB A 11 ARG CG A 11 ARG CD A 11 ARG NE 1.0 -210.0 90.0 CHI3 130 130 A 13 LYS N A 13 LYS CA A 13 LYS CB A 13 LYS CG 1.0 -90.0 210.0 CHI1 131 131 A 13 LYS N A 13 LYS CA A 13 LYS CB A 13 LYS CG 1.0 -330.0 -30.0 CHI1 132 132 A 13 LYS N A 13 LYS CA A 13 LYS CB A 13 LYS CG 1.0 -210.0 90.0 CHI1 133 133 A 13 LYS CA A 13 LYS CB A 13 LYS CG A 13 LYS CD 1.0 -90.0 210.0 CHI2 134 134 A 13 LYS CA A 13 LYS CB A 13 LYS CG A 13 LYS CD 1.0 -330.0 -30.0 CHI2 135 135 A 13 LYS CA A 13 LYS CB A 13 LYS CG A 13 LYS CD 1.0 -210.0 90.0 CHI2 136 136 A 13 LYS CB A 13 LYS CG A 13 LYS CD A 13 LYS CE 1.0 -90.0 210.0 CHI3 137 137 A 13 LYS CB A 13 LYS CG A 13 LYS CD A 13 LYS CE 1.0 -330.0 -30.0 CHI3 138 138 A 13 LYS CB A 13 LYS CG A 13 LYS CD A 13 LYS CE 1.0 -210.0 90.0 CHI3 139 139 A 13 LYS CG A 13 LYS CD A 13 LYS CE A 13 LYS NZ 1.0 -90.0 210.0 CHI4 140 140 A 13 LYS CG A 13 LYS CD A 13 LYS CE A 13 LYS NZ 1.0 -330.0 -30.0 CHI4 141 141 A 13 LYS CG A 13 LYS CD A 13 LYS CE A 13 LYS NZ 1.0 -210.0 90.0 CHI4 142 142 A 15 ASN N A 15 ASN CA A 15 ASN CB A 15 ASN CG 1.0 -90.0 210.0 CHI1 143 143 A 15 ASN N A 15 ASN CA A 15 ASN CB A 15 ASN CG 1.0 -330.0 -30.0 CHI1 144 144 A 15 ASN N A 15 ASN CA A 15 ASN CB A 15 ASN CG 1.0 -210.0 90.0 CHI1 145 145 A 16 CYS N A 16 CYS CA A 16 CYS CB A 16 CYS SG 1.0 -90.0 210.0 CHI1 146 146 A 16 CYS N A 16 CYS CA A 16 CYS CB A 16 CYS SG 1.0 -330.0 -30.0 CHI1 147 147 A 16 CYS N A 16 CYS CA A 16 CYS CB A 16 CYS SG 1.0 -210.0 90.0 CHI1 stop_ save_ save_DYANA/DIANA_dihedral_5 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_5 _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 2 CYS C A 3 LYS N A 3 LYS CA A 3 LYS C 1.0 -122.8 -45.3 PHI 2 2 A 3 LYS N A 3 LYS CA A 3 LYS C A 4 THR N 1.0 114.5 166.0 PSI 3 3 A 3 LYS C A 4 THR N A 4 THR CA A 4 THR C 1.0 -133.4 -42.4 PHI 4 4 A 4 THR N A 4 THR CA A 4 THR C A 5 CYS N 1.0 116.7 156.7 PSI 5 5 A 4 THR C A 5 CYS N A 5 CYS CA A 5 CYS C 1.0 -173.1 -43.4 PHI 6 6 A 5 CYS N A 5 CYS CA A 5 CYS C A 6 SER N 1.0 121.8 174.9 PSI 7 7 A 7 LYS C A 8 GLY N A 8 GLY CA A 8 GLY C 1.0 68.0 108.0 PHI 8 8 A 8 GLY N A 8 GLY CA A 8 GLY C A 9 ARG N 1.0 -26.4 13.6 PSI 9 9 A 8 GLY C A 9 ARG N A 9 ARG CA A 9 ARG C 1.0 -115.4 -56.7 PHI 10 10 A 9 ARG N A 9 ARG CA A 9 ARG C A 10 CYS N 1.0 112.8 152.8 PSI 11 11 A 9 ARG C A 10 CYS N A 10 CYS CA A 10 CYS C 1.0 -148.9 -41.5 PHI 12 12 A 10 CYS N A 10 CYS CA A 10 CYS C A 11 ARG N 1.0 110.0 160.9 PSI 13 13 A 10 CYS C A 11 ARG N A 11 ARG CA A 11 ARG C 1.0 -153.8 -47.4 PHI 14 14 A 11 ARG N A 11 ARG CA A 11 ARG C A 12 PRO N 1.0 107.0 175.4 PSI 15 15 A 12 PRO N A 12 PRO CA A 12 PRO C A 13 LYS N 1.0 125.9 165.9 PSI 16 16 A 12 PRO C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -82.8 -42.8 PHI 17 17 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 PRO N 1.0 116.8 156.8 PSI 18 18 A 14 PRO N A 14 PRO CA A 14 PRO C A 15 ASN N 1.0 -41.9 -1.9 PSI 19 19 A 14 PRO C A 15 ASN N A 15 ASN CA A 15 ASN C 1.0 -105.8 -65.8 PHI 20 20 A 15 ASN N A 15 ASN CA A 15 ASN C A 16 CYS N 1.0 -27.4 12.6 PSI 21 21 A 5 CYS C A 6 SER N A 6 SER CA A 6 SER C 1.0 -106.4 -42.1 PHI 22 22 A 6 SER N A 6 SER CA A 6 SER C A 7 LYS N 1.0 130.3 170.3 PSI 23 23 A 9 ARG N A 9 ARG CA A 9 ARG CB A 9 ARG CG 1.0 -80.0 -40.0 CHI1 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 . . 16 . . . . 2 ppm . . 16 . . . . stop_ save_