NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
37452 | 1plx | 5914 | cing | 2-parsed | STAR | entry | full | 60 |
data_1plx_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1plx _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project" NMR . parsed_1plx 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1plx _Entry.Title "Original constraint list(s)" _Entry.Version_type original _Entry.Submission_date . _Entry.Accession_date . _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination . _Entry.NMR_STAR_version 3.1 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1plx "Master copy" parsed_1plx stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1plx _Constraint_stat_list.ID 1 loop_ _Constraint_file.ID _Constraint_file.Constraint_filename _Constraint_file.Software_ID _Constraint_file.Software_label _Constraint_file.Software_name _Constraint_file.Block_ID _Constraint_file.Constraint_type _Constraint_file.Constraint_subtype _Constraint_file.Constraint_subsubtype _Constraint_file.Constraint_number _Constraint_file.Entry_ID _Constraint_file.Constraint_stat_list_ID 1 1plx.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1plx 1 1 1plx.mr . . XPLOR/CNS 2 distance NOE simple 58 parsed_1plx 1 1 1plx.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 2 parsed_1plx 1 1 1plx.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1plx 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_1plx _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; *HEADER NEUROPEPTIDE 09-JUN-03 1PLX *TITLE NMR STRUCTURE OF METHIONINE-ENKEPHALIN IN FAST TUMBLING *TITLE 2 BICELLES/DMPG *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: MET-ENKEPHALIN 1; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: THE PEPETIDE WAS CHEMICALLY SYNTHESIZED. *SOURCE 4 THE SEQUENCE OF THE PEPTIDE IS NATURALLY FOUND IN HOMO *SOURCE 5 SAPIENS (HUMAN) *KEYWDS PEPTIDE *EXPDTA NMR, 80 STRUCTURES *AUTHOR I.MARCOTTE, F.SEPAROVIC, M.AUGER, S.M.GAGNE *REVDAT 1 16-MAR-04 1PLX 0 !Distance and dihedral angle constraints used in the calculation of Menk structures in fast tumbling Bic/PG !with a (DMPC+DMPG)/DHPC molar ratio of 0.5, and a DMPC/DMPG molar ratio of 9:1 !file format : CNS !The phi angles constraints are listed in the current file below the distance constraints ; save_ save_CNS/XPLOR_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1plx _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 2 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_1plx 1 2 1 . . . parsed_1plx 1 3 1 . . . parsed_1plx 1 4 1 . . . parsed_1plx 1 5 1 . . . parsed_1plx 1 6 1 . . . parsed_1plx 1 7 1 . . . parsed_1plx 1 8 1 . . . parsed_1plx 1 9 1 . . . parsed_1plx 1 10 1 . . . parsed_1plx 1 11 1 . . . parsed_1plx 1 12 1 . . . parsed_1plx 1 13 1 . . . parsed_1plx 1 14 1 . . . parsed_1plx 1 15 1 . . . parsed_1plx 1 16 1 . . . parsed_1plx 1 17 1 . . . parsed_1plx 1 18 1 . . . parsed_1plx 1 19 1 . . . parsed_1plx 1 20 1 . . . parsed_1plx 1 21 1 . . . parsed_1plx 1 22 1 . . . parsed_1plx 1 23 1 . . . parsed_1plx 1 24 1 . . . parsed_1plx 1 25 1 . . . parsed_1plx 1 26 1 . . . parsed_1plx 1 27 1 . . . parsed_1plx 1 28 1 . . . parsed_1plx 1 29 1 . . . parsed_1plx 1 30 1 . . . parsed_1plx 1 31 1 . . . parsed_1plx 1 32 1 . . . parsed_1plx 1 33 1 . . . parsed_1plx 1 34 1 . . . parsed_1plx 1 35 1 . . . parsed_1plx 1 36 1 . . . parsed_1plx 1 37 1 . . . parsed_1plx 1 38 1 . . . parsed_1plx 1 39 1 . . . parsed_1plx 1 40 1 . . . parsed_1plx 1 41 1 . . . parsed_1plx 1 42 1 . . . parsed_1plx 1 43 1 . . . parsed_1plx 1 44 1 . . . parsed_1plx 1 45 1 . . . parsed_1plx 1 46 1 . . . parsed_1plx 1 47 1 . . . parsed_1plx 1 48 1 . . . parsed_1plx 1 49 1 . . . parsed_1plx 1 50 1 . . . parsed_1plx 1 51 1 . . . parsed_1plx 1 52 1 . . . parsed_1plx 1 53 1 . . . parsed_1plx 1 54 1 . . . parsed_1plx 1 55 1 . . . parsed_1plx 1 56 1 . . . parsed_1plx 1 57 1 . . . parsed_1plx 1 58 1 . . . parsed_1plx 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . . 4 . HN parsed_1plx 1 1 1 2 . . . . . . . . . 4 . HB# parsed_1plx 1 2 1 1 . . . . . . . . . 5 . HN parsed_1plx 1 2 1 2 . . . . . . . . . 4 . HB# parsed_1plx 1 3 1 1 . . . . . . . . . 4 . HD# parsed_1plx 1 3 1 2 . . . . . . . . . 4 . HB# parsed_1plx 1 4 1 1 . . . . . . . . . 1 . HD# parsed_1plx 1 4 1 2 . . . . . . . . . 2 . HN parsed_1plx 1 5 1 1 . . . . . . . . . 3 . HN parsed_1plx 1 5 1 2 . . . . . . . . . 1 . HE# parsed_1plx 1 6 1 1 . . . . . . . . . 3 . HN parsed_1plx 1 6 1 2 . . . . . . . . . 1 . HD# parsed_1plx 1 7 1 1 . . . . . . . . . 3 . HN parsed_1plx 1 7 1 2 . . . . . . . . . 4 . HD# parsed_1plx 1 8 1 1 . . . . . . . . . 3 . HN parsed_1plx 1 8 1 2 . . . . . . . . . 4 . HE# parsed_1plx 1 9 1 1 . . . . . . . . . 5 . HN parsed_1plx 1 9 1 2 . . . . . . . . . 4 . HD# parsed_1plx 1 10 1 1 . . . . . . . . . 4 . HN parsed_1plx 1 10 1 2 . . . . . . . . . 4 . HD# parsed_1plx 1 11 1 1 . . . . . . . . . 5 . HN parsed_1plx 1 11 1 2 . . . . . . . . . 4 . HE# parsed_1plx 1 12 1 1 . . . . . . . . . 4 . HN parsed_1plx 1 12 1 2 . . . . . . . . . 1 . HD# parsed_1plx 1 13 1 1 . . . . . . . . . 2 . HN parsed_1plx 1 13 1 2 . . . . . . . . . 1 . HE# parsed_1plx 1 14 1 1 . . . . . . . . . 3 . HN parsed_1plx 1 14 1 2 . . . . . . . . . 4 . HB# parsed_1plx 1 15 1 1 . . . . . . . . . 4 . HD# parsed_1plx 1 15 1 2 . . . . . . . . . 5 . HB# parsed_1plx 1 16 1 1 . . . . . . . . . 4 . HD# parsed_1plx 1 16 1 2 . . . . . . . . . 5 . HG# parsed_1plx 1 17 1 1 . . . . . . . . . 4 . HE# parsed_1plx 1 17 1 2 . . . . . . . . . 5 . HG# parsed_1plx 1 18 1 1 . . . . . . . . . 4 . HE# parsed_1plx 1 18 1 2 . . . . . . . . . 4 . HB# parsed_1plx 1 19 1 1 . . . . . . . . . 4 . HD# parsed_1plx 1 19 1 2 . . . . . . . . . 4 . HA parsed_1plx 1 20 1 1 . . . . . . . . . 1 . HE# parsed_1plx 1 20 1 2 . . . . . . . . . 1 . HD# parsed_1plx 1 21 1 1 . . . . . . . . . 4 . HZ parsed_1plx 1 21 1 2 . . . . . . . . . 5 . HG# parsed_1plx 1 22 1 1 . . . . . . . . . 4 . HE# parsed_1plx 1 22 1 2 . . . . . . . . . 4 . HN parsed_1plx 1 23 1 1 . . . . . . . . . 5 . HN parsed_1plx 1 23 1 2 . . . . . . . . . 4 . HA parsed_1plx 1 24 1 1 . . . . . . . . . 5 . HN parsed_1plx 1 24 1 2 . . . . . . . . . 5 . HG# parsed_1plx 1 25 1 1 . . . . . . . . . 3 . HN parsed_1plx 1 25 1 2 . . . . . . . . . 2 . HN parsed_1plx 1 26 1 1 . . . . . . . . . 4 . HN parsed_1plx 1 26 1 2 . . . . . . . . . 5 . HG# parsed_1plx 1 27 1 1 . . . . . . . . . 4 . HN parsed_1plx 1 27 1 2 . . . . . . . . . 4 . HA parsed_1plx 1 28 1 1 . . . . . . . . . 2 . HN parsed_1plx 1 28 1 2 . . . . . . . . . 4 . HN parsed_1plx 1 29 1 1 . . . . . . . . . 4 . HN parsed_1plx 1 29 1 2 . . . . . . . . . 5 . HB# parsed_1plx 1 30 1 1 . . . . . . . . . 5 . HB# parsed_1plx 1 30 1 2 . . . . . . . . . 5 . HB# parsed_1plx 1 31 1 1 . . . . . . . . . 1 . HB# parsed_1plx 1 31 1 2 . . . . . . . . . 1 . HA parsed_1plx 1 32 1 1 . . . . . . . . . 1 . HD# parsed_1plx 1 32 1 2 . . . . . . . . . 1 . HB# parsed_1plx 1 33 1 1 . . . . . . . . . 1 . HD# parsed_1plx 1 33 1 2 . . . . . . . . . 1 . HA parsed_1plx 1 34 1 1 . . . . . . . . . 4 . HE# parsed_1plx 1 34 1 2 . . . . . . . . . 2 . HA# parsed_1plx 1 35 1 1 . . . . . . . . . 1 . HD# parsed_1plx 1 35 1 2 . . . . . . . . . 2 . HA# parsed_1plx 1 36 1 1 . . . . . . . . . 2 . HN parsed_1plx 1 36 1 2 . . . . . . . . . 1 . HA parsed_1plx 1 37 1 1 . . . . . . . . . 2 . HN parsed_1plx 1 37 1 2 . . . . . . . . . 2 . HA# parsed_1plx 1 38 1 1 . . . . . . . . . 5 . HN parsed_1plx 1 38 1 2 . . . . . . . . . 5 . HA parsed_1plx 1 39 1 1 . . . . . . . . . 3 . HN parsed_1plx 1 39 1 2 . . . . . . . . . 1 . HA parsed_1plx 1 40 1 1 . . . . . . . . . 4 . HE# parsed_1plx 1 40 1 2 . . . . . . . . . 5 . HE# parsed_1plx 1 41 1 1 . . . . . . . . . 4 . HZ# parsed_1plx 1 41 1 2 . . . . . . . . . 5 . HE# parsed_1plx 1 42 1 1 . . . . . . . . . 2 . HN parsed_1plx 1 42 1 2 . . . . . . . . . 1 . HB# parsed_1plx 1 43 1 1 . . . . . . . . . 1 . HE# parsed_1plx 1 43 1 2 . . . . . . . . . 2 . HA# parsed_1plx 1 44 1 1 . . . . . . . . . 1 . HE# parsed_1plx 1 44 1 2 . . . . . . . . . 5 . HE# parsed_1plx 1 45 1 1 . . . . . . . . . 5 . HA parsed_1plx 1 45 1 2 . . . . . . . . . 5 . HB# parsed_1plx 1 46 1 1 . . . . . . . . . 4 . HA parsed_1plx 1 46 1 2 . . . . . . . . . 4 . HB# parsed_1plx 1 47 1 1 . . . . . . . . . 3 . HN parsed_1plx 1 47 1 2 . . . . . . . . . 3 . HA# parsed_1plx 1 48 1 1 . . . . . . . . . 1 . HE# parsed_1plx 1 48 1 2 . . . . . . . . . 1 . HB# parsed_1plx 1 49 1 1 . . . . . . . . . 4 . HD# parsed_1plx 1 49 1 2 . . . . . . . . . 5 . HE# parsed_1plx 1 50 1 1 . . . . . . . . . 5 . HN parsed_1plx 1 50 1 2 . . . . . . . . . 3 . HA# parsed_1plx 1 51 1 1 . . . . . . . . . 5 . HN parsed_1plx 1 51 1 2 . . . . . . . . . 5 . HB# parsed_1plx 1 52 1 1 . . . . . . . . . 4 . HN parsed_1plx 1 52 1 2 . . . . . . . . . 5 . HE# parsed_1plx 1 53 1 1 . . . . . . . . . 1 . HE# parsed_1plx 1 53 1 2 . . . . . . . . . 1 . HA parsed_1plx 1 54 1 1 . . . . . . . . . 4 . HD# parsed_1plx 1 54 1 2 . . . . . . . . . 1 . HA parsed_1plx 1 55 1 1 . . . . . . . . . 1 . HE# parsed_1plx 1 55 1 2 . . . . . . . . . 5 . HG# parsed_1plx 1 56 1 1 . . . . . . . . . 4 . HE# parsed_1plx 1 56 1 2 . . . . . . . . . 1 . HA parsed_1plx 1 57 1 1 . . . . . . . . . 4 . HN parsed_1plx 1 57 1 2 . . . . . . . . . 1 . HA parsed_1plx 1 58 1 1 . . . . . . . . . 3 . HN parsed_1plx 1 58 1 2 . . . . . . . . . 1 . HB# parsed_1plx 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 3.200 1.800 3.200 parsed_1plx 1 2 1 . . . . . 3.700 1.800 3.700 parsed_1plx 1 3 1 . . . . . 4.200 1.800 4.200 parsed_1plx 1 4 1 . . . . . 5.800 1.800 5.800 parsed_1plx 1 5 1 . . . . . 6.000 1.800 6.000 parsed_1plx 1 6 1 . . . . . 6.000 1.800 6.000 parsed_1plx 1 7 1 . . . . . 6.000 1.800 6.000 parsed_1plx 1 8 1 . . . . . 6.000 1.800 6.000 parsed_1plx 1 9 1 . . . . . 5.600 1.800 5.600 parsed_1plx 1 10 1 . . . . . 4.500 1.800 4.500 parsed_1plx 1 11 1 . . . . . 6.000 1.800 6.000 parsed_1plx 1 12 1 . . . . . 6.000 1.800 6.000 parsed_1plx 1 13 1 . . . . . 6.000 1.800 6.000 parsed_1plx 1 14 1 . . . . . 5.100 1.800 5.100 parsed_1plx 1 15 1 . . . . . 6.000 1.800 6.000 parsed_1plx 1 16 1 . . . . . 5.500 1.800 5.500 parsed_1plx 1 17 1 . . . . . 5.700 1.800 5.700 parsed_1plx 1 18 1 . . . . . 5.800 1.800 5.800 parsed_1plx 1 19 1 . . . . . 5.400 1.800 5.400 parsed_1plx 1 20 1 . . . . . 3.100 1.800 3.100 parsed_1plx 1 21 1 . . . . . 6.000 1.800 6.000 parsed_1plx 1 22 1 . . . . . 5.900 1.800 5.900 parsed_1plx 1 23 1 . . . . . 3.600 1.800 3.600 parsed_1plx 1 24 1 . . . . . 3.200 1.800 3.200 parsed_1plx 1 25 1 . . . . . 3.900 1.800 3.900 parsed_1plx 1 26 1 . . . . . 4.700 1.800 4.700 parsed_1plx 1 27 1 . . . . . 3.800 1.800 3.800 parsed_1plx 1 28 1 . . . . . 6.000 1.800 6.000 parsed_1plx 1 29 1 . . . . . 5.800 1.800 5.800 parsed_1plx 1 30 1 . . . . . 3.400 1.800 3.400 parsed_1plx 1 31 1 . . . . . 3.900 1.800 3.900 parsed_1plx 1 32 1 . . . . . 3.300 1.800 3.300 parsed_1plx 1 33 1 . . . . . 4.000 1.800 4.000 parsed_1plx 1 34 1 . . . . . 5.300 1.800 5.300 parsed_1plx 1 35 1 . . . . . 5.100 1.800 5.100 parsed_1plx 1 36 1 . . . . . 2.800 1.800 2.800 parsed_1plx 1 37 1 . . . . . 2.700 1.800 2.700 parsed_1plx 1 38 1 . . . . . 3.000 1.800 3.000 parsed_1plx 1 39 1 . . . . . 4.300 1.800 4.300 parsed_1plx 1 40 1 . . . . . 6.000 1.800 6.000 parsed_1plx 1 41 1 . . . . . 6.000 1.800 6.000 parsed_1plx 1 42 1 . . . . . 3.300 1.800 3.300 parsed_1plx 1 43 1 . . . . . 5.400 1.800 5.400 parsed_1plx 1 44 1 . . . . . 6.000 1.800 6.000 parsed_1plx 1 45 1 . . . . . 5.000 1.800 5.000 parsed_1plx 1 46 1 . . . . . 4.900 1.800 4.900 parsed_1plx 1 47 1 . . . . . 2.900 1.800 2.900 parsed_1plx 1 48 1 . . . . . 5.100 1.800 5.100 parsed_1plx 1 49 1 . . . . . 6.000 1.800 6.000 parsed_1plx 1 50 1 . . . . . 4.200 1.800 4.200 parsed_1plx 1 51 1 . . . . . 3.700 1.800 3.700 parsed_1plx 1 52 1 . . . . . 6.000 1.800 6.000 parsed_1plx 1 53 1 . . . . . 5.700 1.800 5.700 parsed_1plx 1 54 1 . . . . . 6.000 1.800 6.000 parsed_1plx 1 55 1 . . . . . 6.000 1.800 6.000 parsed_1plx 1 56 1 . . . . . 6.000 1.800 6.000 parsed_1plx 1 57 1 . . . . . 4.800 1.800 4.800 parsed_1plx 1 58 1 . . . . . 4.400 1.800 4.400 parsed_1plx 1 stop_ loop_ _Dist_constraint_comment_org.ID _Dist_constraint_comment_org.Comment_text _Dist_constraint_comment_org.Comment_begin_line _Dist_constraint_comment_org.Comment_begin_column _Dist_constraint_comment_org.Comment_end_line _Dist_constraint_comment_org.Comment_end_column _Dist_constraint_comment_org.Entry_ID _Dist_constraint_comment_org.Distance_constraint_list_ID 1 bpm-noesy-300-nonaro.6 2 67 2 93 parsed_1plx 1 2 bpm-noesy-300-nonaro.17 3 67 3 94 parsed_1plx 1 3 bpm-noesy-300-aro.21 4 68 4 92 parsed_1plx 1 4 bpm-noesy-300-aro.38 5 67 5 91 parsed_1plx 1 5 bpm-noesy-300-aro.28 6 67 6 91 parsed_1plx 1 6 bpm-noesy-300-aro.29 7 67 7 91 parsed_1plx 1 7 bpm-noesy-300-aro.30 8 67 8 91 parsed_1plx 1 8 bpm-noesy-300-aro.31 9 67 9 91 parsed_1plx 1 9 bpm-noesy-300-aro.32 10 67 10 91 parsed_1plx 1 10 bpm-noesy-300-aro.33 11 67 11 91 parsed_1plx 1 11 bpm-noesy-300-aro.34 12 67 12 91 parsed_1plx 1 12 bpm-noesy-300-aro.35 13 67 13 91 parsed_1plx 1 13 bpm-noesy-300-aro.36 14 67 14 91 parsed_1plx 1 14 bpm-noesy-300-nonaro.42 15 67 15 94 parsed_1plx 1 15 bpm-noesy-300-aro.51 16 68 16 92 parsed_1plx 1 16 bpm-noesy-300-aro.53 17 68 17 92 parsed_1plx 1 17 bpm-noesy-300-aro.54 18 68 18 92 parsed_1plx 1 18 bpm-noesy-300-aro.57 19 68 19 92 parsed_1plx 1 19 bpm-noesy-300-aro.80 20 67 20 91 parsed_1plx 1 20 bpm-noesy-300-aro.85 21 68 21 92 parsed_1plx 1 21 bpm-noesy-300-aro.102 22 67 22 92 parsed_1plx 1 22 bpm-noesy-300-aro.120 23 67 23 92 parsed_1plx 1 23 bpm-noesy300-nonaro.11 24 66 24 92 parsed_1plx 1 24 bpm-noesy300-nonaro.13 25 67 25 93 parsed_1plx 1 25 bpm-noesy300-nonaro.37 26 66 26 92 parsed_1plx 1 26 bpm-noesy300-nonaro.43 27 67 27 93 parsed_1plx 1 27 bpm-noesy300-nonaro.48 28 66 28 92 parsed_1plx 1 28 bpm-noesy300-nonaro.89 29 66 29 92 parsed_1plx 1 29 bpm-noesy300-nonaro.90 30 67 30 93 parsed_1plx 1 30 bpm-noesy-300-red.26 31 68 31 92 parsed_1plx 1 31 bpm-noesy-300-red.55 32 67 32 91 parsed_1plx 1 32 bpm-noesy-300-aro.23 33 68 33 92 parsed_1plx 1 33 bpm-noesy-300-aro.24 34 67 34 91 parsed_1plx 1 34 bpm-noesy-300-aro.68 35 68 35 92 parsed_1plx 1 35 bpm-noesy-300-aro.81 36 68 36 92 parsed_1plx 1 36 bpm-noesy300-nonaro.0 37 66 37 91 parsed_1plx 1 37 bpm-noesy300-nonaro.1 38 67 38 92 parsed_1plx 1 38 bpm-noesy300-nonaro.16 39 66 39 92 parsed_1plx 1 39 bpm-noesy300-nonaro.46 40 66 40 92 parsed_1plx 1 40 bpm-noesy-300-aro.49 41 68 41 92 parsed_1plx 1 41 bpm-noesy-300-aro.61 42 68 42 92 parsed_1plx 1 42 bpm-noesy300-nonaro.2 43 67 43 92 parsed_1plx 1 43 bpm-noesy300-aro.73 44 68 44 91 parsed_1plx 1 44 bpm-noesy300-aro.126 45 68 45 92 parsed_1plx 1 45 bpm-noesy-300-red.53 46 67 46 91 parsed_1plx 1 46 bpm-noesy-300-red.68 47 67 47 91 parsed_1plx 1 47 bpm-noesy300-nonaro.3 48 67 48 92 parsed_1plx 1 48 bpm-noesy300-aro.25 49 68 49 91 parsed_1plx 1 49 bpm-noesy300-aro.50 50 68 50 91 parsed_1plx 1 50 bpm-noesy300-nonaro.40 51 67 51 93 parsed_1plx 1 51 bpm-noesy300-nonaro.18 52 67 52 93 parsed_1plx 1 52 bpm-noesy300-nonaro.91 53 67 53 93 parsed_1plx 1 53 bpm-noesy300-aro.74 54 67 54 90 parsed_1plx 1 54 bpm-noesy300-aro.77 55 67 55 90 parsed_1plx 1 55 bpm-noesy300-aro.129 56 68 56 92 parsed_1plx 1 56 bpm-noesy300-aro.79 57 67 57 90 parsed_1plx 1 57 bpm-noesy300-nonaro.47 58 66 58 92 parsed_1plx 1 58 bpm-noesy300-nonaro.8 59 67 59 92 parsed_1plx 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_1plx _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 3 _Torsion_angle_constraint_list.Details "Generated by Wattos" loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -70.0 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_1plx 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108.0 -68.0 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_1plx 1 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 ; Dihedral angles constraints for residues 4 and 5. Phi angles obtained from the 3J(HN-Ha) coupling constants measured in the 1D spectra 3J(HN-Ha) coupling constants = 7.8 Hz (Phe4) and 7.6 Hz (Met5) ; 2 1 4 64 parsed_1plx 1 stop_ save_
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