![]() |
NMR Restraints Grid |
![]() |
Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
![]() |
647527 |
6u7u ![]() ![]() |
30669 | cing | 2-parsed | STAR | entry | full | 119 |
data_6u7u_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_6u7u _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_6u7u 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_6u7u _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 6u7u "Master copy" parsed_6u7u stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_6u7u _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 6u7u.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6u7u 1 1 6u7u.mr . . XPLOR/CNS 2 distance NOE simple 97 parsed_6u7u 1 1 6u7u.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 20 parsed_6u7u 1 1 6u7u.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 2 parsed_6u7u 1 1 6u7u.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6u7u 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_6u7u _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 BIOSYNTHETIC PROTEIN 03-SEP-19 6U7U *TITLE NMR SOLUTION STRUCTURE OF TRIAZOLE BRIDGED MATRIPTASE INHIBITOR *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: GLY-ARG-ALA-THR-LYS-SER-ILE-PRO-PRO-ARG-ALA-PHE-PRO-ASP; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: HELIANTHUS ANNUUS; *SOURCE 4 ORGANISM_TAXID: 4232 *KEYWDS TRIAZOLE, DISULFIDE MIMETIC, INHIBITOR, BIOSYNTHETIC PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR A.M.WHITE,P.J.HARVEY,T.DUREK,D.J.CRAIK *REVDAT 1 22-APR-20 6U7U 0 ; save_ save_CNS/XPLOR_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_6u7u _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_6u7u 1 2 1 . . . parsed_6u7u 1 3 1 . . . parsed_6u7u 1 4 1 . . . parsed_6u7u 1 5 1 . . . parsed_6u7u 1 6 1 . . . parsed_6u7u 1 7 1 . . . parsed_6u7u 1 8 1 . . . parsed_6u7u 1 9 1 . . . parsed_6u7u 1 10 1 . . . parsed_6u7u 1 11 1 . . . parsed_6u7u 1 12 1 . . . parsed_6u7u 1 13 1 . . . parsed_6u7u 1 14 1 . . . parsed_6u7u 1 15 1 . . . parsed_6u7u 1 16 1 . . . parsed_6u7u 1 17 1 . . . parsed_6u7u 1 18 1 . . . parsed_6u7u 1 19 1 . . . parsed_6u7u 1 20 1 . . . parsed_6u7u 1 21 1 . . . parsed_6u7u 1 22 1 . . . parsed_6u7u 1 23 1 . . . parsed_6u7u 1 24 1 . . . parsed_6u7u 1 25 1 . . . parsed_6u7u 1 26 1 . . . parsed_6u7u 1 27 1 . . . parsed_6u7u 1 28 1 . . . parsed_6u7u 1 29 1 . . . parsed_6u7u 1 30 1 . . . parsed_6u7u 1 31 1 . . . parsed_6u7u 1 32 1 . . . parsed_6u7u 1 33 1 . . . parsed_6u7u 1 34 1 . . . parsed_6u7u 1 35 1 . . . parsed_6u7u 1 36 1 . . . parsed_6u7u 1 37 1 . . . parsed_6u7u 1 38 1 . . . parsed_6u7u 1 39 1 . . . parsed_6u7u 1 40 1 . . . parsed_6u7u 1 41 1 . . . parsed_6u7u 1 42 1 . . . parsed_6u7u 1 43 1 . . . parsed_6u7u 1 44 1 . . . parsed_6u7u 1 45 1 . . . parsed_6u7u 1 46 1 . . . parsed_6u7u 1 47 1 . . . parsed_6u7u 1 48 1 . . . parsed_6u7u 1 49 1 . . . parsed_6u7u 1 50 1 . . . parsed_6u7u 1 51 1 . . . parsed_6u7u 1 52 1 . . . parsed_6u7u 1 53 1 . . . parsed_6u7u 1 54 1 . . . parsed_6u7u 1 55 1 . . . parsed_6u7u 1 56 1 . . . parsed_6u7u 1 57 1 . . . parsed_6u7u 1 58 1 . . . parsed_6u7u 1 59 1 . . . parsed_6u7u 1 60 1 . . . parsed_6u7u 1 61 1 . . . parsed_6u7u 1 62 1 . . . parsed_6u7u 1 63 1 . . . parsed_6u7u 1 64 1 . . . parsed_6u7u 1 65 1 . . . parsed_6u7u 1 66 1 . . . parsed_6u7u 1 67 1 . . . parsed_6u7u 1 68 1 . . . parsed_6u7u 1 69 1 . . . parsed_6u7u 1 70 1 . . . parsed_6u7u 1 71 1 . . . parsed_6u7u 1 72 1 . . . parsed_6u7u 1 73 1 . . . parsed_6u7u 1 74 1 . . . parsed_6u7u 1 75 1 . . . parsed_6u7u 1 76 1 . . . parsed_6u7u 1 77 1 . . . parsed_6u7u 1 78 1 . . . parsed_6u7u 1 79 1 . . . parsed_6u7u 1 80 1 . . . parsed_6u7u 1 81 1 . . . parsed_6u7u 1 82 1 . . . parsed_6u7u 1 83 1 . . . parsed_6u7u 1 84 1 . . . parsed_6u7u 1 85 1 . . . parsed_6u7u 1 86 1 . . . parsed_6u7u 1 87 1 . . . parsed_6u7u 1 88 1 . . . parsed_6u7u 1 89 1 . . . parsed_6u7u 1 90 1 . . . parsed_6u7u 1 91 1 . . . parsed_6u7u 1 92 1 . . . parsed_6u7u 1 93 1 . . . parsed_6u7u 1 94 1 . . . parsed_6u7u 1 95 1 . . . parsed_6u7u 1 96 1 . . . parsed_6u7u 1 97 1 . . . parsed_6u7u 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 . . . . . . . . . 2 . HN parsed_6u7u 1 1 1 2 . . . . . . . . . 2 . HB2 parsed_6u7u 1 2 1 1 . . . . . . . . . 2 . HN parsed_6u7u 1 2 1 2 . . . . . . . . . 2 . HB1 parsed_6u7u 1 3 1 1 . . . . . . . . . 2 . HN parsed_6u7u 1 3 1 2 . . . . . . . . . 2 . HG2 parsed_6u7u 1 4 1 1 . . . . . . . . . 2 . HN parsed_6u7u 1 4 1 2 . . . . . . . . . 2 . HG1 parsed_6u7u 1 5 1 1 . . . . . . . . . 3 . HA parsed_6u7u 1 5 1 2 . . . . . . . . . 4 . HN parsed_6u7u 1 6 1 1 . . . . . . . . . 2 . HA parsed_6u7u 1 6 1 2 . . . . . . . . . 3 . HN parsed_6u7u 1 7 1 1 . . . . . . . . . 3 . HN parsed_6u7u 1 7 1 2 . . . . . . . . . 3 . HG2 parsed_6u7u 1 8 1 1 . . . . . . . . . 4 . HN parsed_6u7u 1 8 1 2 . . . . . . . . . 4 . HG2# parsed_6u7u 1 9 1 1 . . . . . . . . . 4 . HA parsed_6u7u 1 9 1 2 . . . . . . . . . 5 . HN parsed_6u7u 1 10 1 1 . . . . . . . . . 4 . HB parsed_6u7u 1 10 1 2 . . . . . . . . . 5 . HN parsed_6u7u 1 11 1 1 . . . . . . . . . 6 . HA parsed_6u7u 1 11 1 2 . . . . . . . . . 7 . HN parsed_6u7u 1 12 1 1 . . . . . . . . . 6 . HB2 parsed_6u7u 1 12 1 2 . . . . . . . . . 7 . HN parsed_6u7u 1 13 1 1 . . . . . . . . . 7 . HN parsed_6u7u 1 13 1 2 . . . . . . . . . 7 . HB parsed_6u7u 1 14 1 1 . . . . . . . . . 7 . HN parsed_6u7u 1 14 1 2 . . . . . . . . . 7 . HG12 parsed_6u7u 1 15 1 1 . . . . . . . . . 7 . HN parsed_6u7u 1 15 1 2 . . . . . . . . . 7 . HG2# parsed_6u7u 1 16 1 1 . . . . . . . . . 7 . HN parsed_6u7u 1 16 1 2 . . . . . . . . . 7 . HD1# parsed_6u7u 1 17 1 1 . . . . . . . . . 7 . HA parsed_6u7u 1 17 1 2 . . . . . . . . . 8 . HA parsed_6u7u 1 18 1 1 . . . . . . . . . 8 . HA parsed_6u7u 1 18 1 2 . . . . . . . . . 9 . HD2 parsed_6u7u 1 19 1 1 . . . . . . . . . 8 . HA parsed_6u7u 1 19 1 2 . . . . . . . . . 9 . HD1 parsed_6u7u 1 20 1 1 . . . . . . . . . 9 . HA parsed_6u7u 1 20 1 2 . . . . . . . . . 10 . HN parsed_6u7u 1 21 1 1 . . . . . . . . . 10 . HN parsed_6u7u 1 21 1 2 . . . . . . . . . 10 . HB2 parsed_6u7u 1 22 1 1 . . . . . . . . . 10 . HN parsed_6u7u 1 22 1 2 . . . . . . . . . 10 . HB1 parsed_6u7u 1 23 1 1 . . . . . . . . . 10 . HA parsed_6u7u 1 23 1 2 . . . . . . . . . 11 . HN parsed_6u7u 1 24 1 1 . . . . . . . . . 11 . HA parsed_6u7u 1 24 1 2 . . . . . . . . . 12 . HN parsed_6u7u 1 25 1 1 . . . . . . . . . 3 . HA parsed_6u7u 1 25 1 2 . . . . . . . . . 12 . HN parsed_6u7u 1 26 1 1 . . . . . . . . . 4 . HN parsed_6u7u 1 26 1 2 . . . . . . . . . 11 . HA parsed_6u7u 1 27 1 1 . . . . . . . . . 12 . HA parsed_6u7u 1 27 1 2 . . . . . . . . . 13 . HD2 parsed_6u7u 1 28 1 1 . . . . . . . . . 12 . HA parsed_6u7u 1 28 1 2 . . . . . . . . . 13 . HD1 parsed_6u7u 1 29 1 1 . . . . . . . . . 12 . HA parsed_6u7u 1 29 1 2 . . . . . . . . . 12 . HD# parsed_6u7u 1 30 1 1 . . . . . . . . . 11 . HD parsed_6u7u 1 30 1 2 . . . . . . . . . 10 . HA parsed_6u7u 1 31 1 1 . . . . . . . . . 11 . HD parsed_6u7u 1 31 1 2 . . . . . . . . . 11 . HN parsed_6u7u 1 32 1 1 . . . . . . . . . 1 . HN parsed_6u7u 1 32 1 2 . . . . . . . . . 14 . HA parsed_6u7u 1 33 1 1 . . . . . . . . . 3 . HG1 parsed_6u7u 1 33 1 2 . . . . . . . . . 12 . HN parsed_6u7u 1 34 1 1 . . . . . . . . . 12 . HB2 parsed_6u7u 1 34 1 2 . . . . . . . . . 14 . HN parsed_6u7u 1 35 1 1 . . . . . . . . . 12 . HB1 parsed_6u7u 1 35 1 2 . . . . . . . . . 14 . HN parsed_6u7u 1 36 1 1 . . . . . . . . . 10 . HB2 parsed_6u7u 1 36 1 2 . . . . . . . . . 11 . HN parsed_6u7u 1 37 1 1 . . . . . . . . . 10 . HB1 parsed_6u7u 1 37 1 2 . . . . . . . . . 11 . HN parsed_6u7u 1 38 1 1 . . . . . . . . . 4 . HN parsed_6u7u 1 38 1 2 . . . . . . . . . 10 . HB2 parsed_6u7u 1 39 1 1 . . . . . . . . . 4 . HN parsed_6u7u 1 39 1 2 . . . . . . . . . 10 . HB1 parsed_6u7u 1 40 1 1 . . . . . . . . . 2 . HG2 parsed_6u7u 1 40 1 2 . . . . . . . . . 3 . HN parsed_6u7u 1 41 1 1 . . . . . . . . . 2 . HG1 parsed_6u7u 1 41 1 2 . . . . . . . . . 3 . HN parsed_6u7u 1 42 1 1 . . . . . . . . . 7 . HN parsed_6u7u 1 42 1 2 . . . . . . . . . 7 . HG11 parsed_6u7u 1 43 1 1 . . . . . . . . . 2 . HB2 parsed_6u7u 1 43 1 2 . . . . . . . . . 12 . HD# parsed_6u7u 1 44 1 1 . . . . . . . . . 2 . HB1 parsed_6u7u 1 44 1 2 . . . . . . . . . 12 . HD# parsed_6u7u 1 45 1 1 . . . . . . . . . 4 . HG2# parsed_6u7u 1 45 1 2 . . . . . . . . . 6 . HN parsed_6u7u 1 46 1 1 . . . . . . . . . 4 . HG2# parsed_6u7u 1 46 1 2 . . . . . . . . . 12 . HD# parsed_6u7u 1 47 1 1 . . . . . . . . . 4 . HG2# parsed_6u7u 1 47 1 2 . . . . . . . . . 10 . HN parsed_6u7u 1 48 1 1 . . . . . . . . . 12 . HN parsed_6u7u 1 48 1 2 . . . . . . . . . 12 . HD# parsed_6u7u 1 49 1 1 . . . . . . . . . 5 . HN parsed_6u7u 1 49 1 2 . . . . . . . . . 6 . HN parsed_6u7u 1 50 1 1 . . . . . . . . . 3 . HA parsed_6u7u 1 50 1 2 . . . . . . . . . 11 . HA parsed_6u7u 1 51 1 1 . . . . . . . . . 3 . HA parsed_6u7u 1 51 1 2 . . . . . . . . . 3 . HG1 parsed_6u7u 1 52 1 1 . . . . . . . . . 3 . HG1 parsed_6u7u 1 52 1 2 . . . . . . . . . 11 . HA parsed_6u7u 1 53 1 1 . . . . . . . . . 3 . HG1 parsed_6u7u 1 53 1 2 . . . . . . . . . 11 . HB2 parsed_6u7u 1 54 1 1 . . . . . . . . . 1 . HN parsed_6u7u 1 54 1 2 . . . . . . . . . 2 . HN parsed_6u7u 1 55 1 1 . . . . . . . . . 1 . HN parsed_6u7u 1 55 1 2 . . . . . . . . . 14 . HN parsed_6u7u 1 56 1 1 . . . . . . . . . 4 . HN parsed_6u7u 1 56 1 2 . . . . . . . . . 10 . HN parsed_6u7u 1 57 1 1 . . . . . . . . . 10 . HN parsed_6u7u 1 57 1 2 . . . . . . . . . 11 . HN parsed_6u7u 1 58 1 1 . . . . . . . . . 2 . HN parsed_6u7u 1 58 1 2 . . . . . . . . . 12 . HN parsed_6u7u 1 59 1 1 . . . . . . . . . 3 . HG1 parsed_6u7u 1 59 1 2 . . . . . . . . . 11 . HB1 parsed_6u7u 1 60 1 1 . . . . . . . . . 4 . HA parsed_6u7u 1 60 1 2 . . . . . . . . . 4 . HG2# parsed_6u7u 1 61 1 1 . . . . . . . . . 7 . HA parsed_6u7u 1 61 1 2 . . . . . . . . . 7 . HG2# parsed_6u7u 1 62 1 1 . . . . . . . . . 7 . HG2# parsed_6u7u 1 62 1 2 . . . . . . . . . 8 . HA parsed_6u7u 1 63 1 1 . . . . . . . . . 9 . HB2 parsed_6u7u 1 63 1 2 . . . . . . . . . 10 . HA parsed_6u7u 1 64 1 1 . . . . . . . . . 6 . HB1 parsed_6u7u 1 64 1 2 . . . . . . . . . 7 . HN parsed_6u7u 1 65 1 1 . . . . . . . . . 4 . HG2# parsed_6u7u 1 65 1 2 . . . . . . . . . 12 . HE# parsed_6u7u 1 66 1 1 . . . . . . . . . 4 . HG2# parsed_6u7u 1 66 1 2 . . . . . . . . . 5 . HN parsed_6u7u 1 67 1 1 . . . . . . . . . 1 . HN parsed_6u7u 1 67 1 2 . . . . . . . . . 12 . HB# parsed_6u7u 1 68 1 1 . . . . . . . . . 2 . HN parsed_6u7u 1 68 1 2 . . . . . . . . . 2 . HB# parsed_6u7u 1 69 1 1 . . . . . . . . . 2 . HN parsed_6u7u 1 69 1 2 . . . . . . . . . 2 . HG# parsed_6u7u 1 70 1 1 . . . . . . . . . 2 . HN parsed_6u7u 1 70 1 2 . . . . . . . . . 12 . HB# parsed_6u7u 1 71 1 1 . . . . . . . . . 2 . HB# parsed_6u7u 1 71 1 2 . . . . . . . . . 2 . HE parsed_6u7u 1 72 1 1 . . . . . . . . . 2 . HB# parsed_6u7u 1 72 1 2 . . . . . . . . . 3 . HN parsed_6u7u 1 73 1 1 . . . . . . . . . 2 . HB# parsed_6u7u 1 73 1 2 . . . . . . . . . 12 . HD# parsed_6u7u 1 74 1 1 . . . . . . . . . 2 . HG# parsed_6u7u 1 74 1 2 . . . . . . . . . 3 . HN parsed_6u7u 1 75 1 1 . . . . . . . . . 3 . HN parsed_6u7u 1 75 1 2 . . . . . . . . . 3 . HB# parsed_6u7u 1 76 1 1 . . . . . . . . . 3 . HA parsed_6u7u 1 76 1 2 . . . . . . . . . 11 . HB# parsed_6u7u 1 77 1 1 . . . . . . . . . 3 . HB# parsed_6u7u 1 77 1 2 . . . . . . . . . 4 . HN parsed_6u7u 1 78 1 1 . . . . . . . . . 11 . HD parsed_6u7u 1 78 1 2 . . . . . . . . . 11 . HB# parsed_6u7u 1 79 1 1 . . . . . . . . . 5 . HN parsed_6u7u 1 79 1 2 . . . . . . . . . 5 . HB# parsed_6u7u 1 80 1 1 . . . . . . . . . 5 . HN parsed_6u7u 1 80 1 2 . . . . . . . . . 5 . HG# parsed_6u7u 1 81 1 1 . . . . . . . . . 6 . HB# parsed_6u7u 1 81 1 2 . . . . . . . . . 7 . HN parsed_6u7u 1 82 1 1 . . . . . . . . . 7 . HN parsed_6u7u 1 82 1 2 . . . . . . . . . 7 . HG1# parsed_6u7u 1 83 1 1 . . . . . . . . . 7 . HA parsed_6u7u 1 83 1 2 . . . . . . . . . 9 . HD# parsed_6u7u 1 84 1 1 . . . . . . . . . 7 . HG2# parsed_6u7u 1 84 1 2 . . . . . . . . . 7 . HG1# parsed_6u7u 1 85 1 1 . . . . . . . . . 8 . HA parsed_6u7u 1 85 1 2 . . . . . . . . . 9 . HD# parsed_6u7u 1 86 1 1 . . . . . . . . . 8 . HB# parsed_6u7u 1 86 1 2 . . . . . . . . . 9 . HD# parsed_6u7u 1 87 1 1 . . . . . . . . . 10 . HN parsed_6u7u 1 87 1 2 . . . . . . . . . 10 . HB# parsed_6u7u 1 88 1 1 . . . . . . . . . 10 . HB# parsed_6u7u 1 88 1 2 . . . . . . . . . 11 . HN parsed_6u7u 1 89 1 1 . . . . . . . . . 11 . HN parsed_6u7u 1 89 1 2 . . . . . . . . . 11 . HB# parsed_6u7u 1 90 1 1 . . . . . . . . . 11 . HB# parsed_6u7u 1 90 1 2 . . . . . . . . . 12 . HN parsed_6u7u 1 91 1 1 . . . . . . . . . 12 . HN parsed_6u7u 1 91 1 2 . . . . . . . . . 12 . HB# parsed_6u7u 1 92 1 1 . . . . . . . . . 12 . HA parsed_6u7u 1 92 1 2 . . . . . . . . . 13 . HD# parsed_6u7u 1 93 1 1 . . . . . . . . . 12 . HB# parsed_6u7u 1 93 1 2 . . . . . . . . . 13 . HD# parsed_6u7u 1 94 1 1 . . . . . . . . . 12 . HB# parsed_6u7u 1 94 1 2 . . . . . . . . . 14 . HN parsed_6u7u 1 95 1 1 . . . . . . . . . 13 . HB# parsed_6u7u 1 95 1 2 . . . . . . . . . 14 . HN parsed_6u7u 1 96 1 1 . . . . . . . . . 13 . HD# parsed_6u7u 1 96 1 2 . . . . . . . . . 14 . HN parsed_6u7u 1 97 1 1 . . . . . . . . . 14 . HN parsed_6u7u 1 97 1 2 . . . . . . . . . 14 . HB# parsed_6u7u 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 . . . . . 2.970 1.800 4.140 parsed_6u7u 1 2 1 . . . . . 2.970 1.800 4.140 parsed_6u7u 1 3 1 . . . . . 3.585 1.800 5.370 parsed_6u7u 1 4 1 . . . . . 3.585 1.800 5.370 parsed_6u7u 1 5 1 . . . . . 2.375 1.800 2.950 parsed_6u7u 1 6 1 . . . . . 2.410 1.800 3.020 parsed_6u7u 1 7 1 . . . . . 3.350 1.800 4.900 parsed_6u7u 1 8 1 . . . . . 2.800 1.800 3.800 parsed_6u7u 1 9 1 . . . . . 2.415 1.800 3.030 parsed_6u7u 1 10 1 . . . . . 2.565 1.800 3.330 parsed_6u7u 1 11 1 . . . . . 2.575 1.800 3.350 parsed_6u7u 1 12 1 . . . . . 2.920 1.800 4.040 parsed_6u7u 1 13 1 . . . . . 2.735 1.800 3.670 parsed_6u7u 1 14 1 . . . . . 3.505 1.800 5.210 parsed_6u7u 1 15 1 . . . . . 3.525 1.800 5.250 parsed_6u7u 1 16 1 . . . . . 3.650 1.800 5.500 parsed_6u7u 1 17 1 . . . . . 2.735 1.800 3.670 parsed_6u7u 1 18 1 . . . . . 2.605 1.800 3.410 parsed_6u7u 1 19 1 . . . . . 2.605 1.800 3.410 parsed_6u7u 1 20 1 . . . . . 2.425 1.800 3.050 parsed_6u7u 1 21 1 . . . . . 2.995 1.800 4.190 parsed_6u7u 1 22 1 . . . . . 2.995 1.800 4.190 parsed_6u7u 1 23 1 . . . . . 2.455 1.800 3.110 parsed_6u7u 1 24 1 . . . . . 2.410 1.800 3.020 parsed_6u7u 1 25 1 . . . . . 3.150 1.800 4.500 parsed_6u7u 1 26 1 . . . . . 3.235 1.800 4.670 parsed_6u7u 1 27 1 . . . . . 2.700 1.800 3.600 parsed_6u7u 1 28 1 . . . . . 2.700 1.800 3.600 parsed_6u7u 1 29 1 . . . . . 3.125 1.800 4.450 parsed_6u7u 1 30 1 . . . . . 3.650 1.800 5.500 parsed_6u7u 1 31 1 . . . . . 2.930 1.800 4.060 parsed_6u7u 1 32 1 . . . . . 3.150 1.800 4.500 parsed_6u7u 1 33 1 . . . . . 3.315 1.800 4.830 parsed_6u7u 1 34 1 . . . . . 3.020 1.800 4.240 parsed_6u7u 1 35 1 . . . . . 3.020 1.800 4.240 parsed_6u7u 1 36 1 . . . . . 3.485 1.800 5.170 parsed_6u7u 1 37 1 . . . . . 3.485 1.800 5.170 parsed_6u7u 1 38 1 . . . . . 3.650 1.800 5.500 parsed_6u7u 1 39 1 . . . . . 3.650 1.800 5.500 parsed_6u7u 1 40 1 . . . . . 3.650 1.800 5.500 parsed_6u7u 1 41 1 . . . . . 3.650 1.800 5.500 parsed_6u7u 1 42 1 . . . . . 3.505 1.800 5.210 parsed_6u7u 1 43 1 . . . . . 3.310 1.800 4.820 parsed_6u7u 1 44 1 . . . . . 3.310 1.800 4.820 parsed_6u7u 1 45 1 . . . . . 3.465 1.800 5.130 parsed_6u7u 1 46 1 . . . . . 3.545 1.800 5.290 parsed_6u7u 1 47 1 . . . . . 3.340 1.800 4.880 parsed_6u7u 1 48 1 . . . . . 3.075 1.800 4.350 parsed_6u7u 1 49 1 . . . . . 2.970 1.800 4.140 parsed_6u7u 1 50 1 . . . . . 2.585 1.800 3.370 parsed_6u7u 1 51 1 . . . . . 2.885 1.800 3.970 parsed_6u7u 1 52 1 . . . . . 3.090 1.800 4.380 parsed_6u7u 1 53 1 . . . . . 2.975 1.800 4.150 parsed_6u7u 1 54 1 . . . . . 2.695 1.800 3.590 parsed_6u7u 1 55 1 . . . . . 2.700 1.800 3.600 parsed_6u7u 1 56 1 . . . . . 2.830 1.800 3.860 parsed_6u7u 1 57 1 . . . . . 3.480 1.800 5.160 parsed_6u7u 1 58 1 . . . . . 3.640 1.800 5.480 parsed_6u7u 1 59 1 . . . . . 2.975 1.800 4.150 parsed_6u7u 1 60 1 . . . . . 2.605 1.800 3.410 parsed_6u7u 1 61 1 . . . . . 2.620 1.800 3.440 parsed_6u7u 1 62 1 . . . . . 2.735 1.800 3.670 parsed_6u7u 1 63 1 . . . . . 3.185 1.800 4.570 parsed_6u7u 1 64 1 . . . . . 2.920 1.800 4.040 parsed_6u7u 1 65 1 . . . . . 2.870 1.800 3.940 parsed_6u7u 1 66 1 . . . . . 3.165 1.800 4.530 parsed_6u7u 1 67 1 . . . . . 3.535 1.800 5.270 parsed_6u7u 1 68 1 . . . . . 2.590 1.800 3.380 parsed_6u7u 1 69 1 . . . . . 3.215 1.800 4.630 parsed_6u7u 1 70 1 . . . . . 3.080 1.800 4.360 parsed_6u7u 1 71 1 . . . . . 3.160 1.800 4.520 parsed_6u7u 1 72 1 . . . . . 3.015 1.800 4.230 parsed_6u7u 1 73 1 . . . . . 2.960 1.800 4.120 parsed_6u7u 1 74 1 . . . . . 3.325 1.800 4.850 parsed_6u7u 1 75 1 . . . . . 2.650 1.800 3.500 parsed_6u7u 1 76 1 . . . . . 3.355 1.800 4.910 parsed_6u7u 1 77 1 . . . . . 2.765 1.800 3.730 parsed_6u7u 1 78 1 . . . . . 2.595 1.800 3.390 parsed_6u7u 1 79 1 . . . . . 2.625 1.800 3.450 parsed_6u7u 1 80 1 . . . . . 3.475 1.800 5.150 parsed_6u7u 1 81 1 . . . . . 2.565 1.800 3.330 parsed_6u7u 1 82 1 . . . . . 3.070 1.800 4.340 parsed_6u7u 1 83 1 . . . . . 3.090 1.800 4.380 parsed_6u7u 1 84 1 . . . . . 2.450 1.800 3.100 parsed_6u7u 1 85 1 . . . . . 2.395 1.800 2.990 parsed_6u7u 1 86 1 . . . . . 2.730 1.800 3.660 parsed_6u7u 1 87 1 . . . . . 2.660 1.800 3.520 parsed_6u7u 1 88 1 . . . . . 3.140 1.800 4.480 parsed_6u7u 1 89 1 . . . . . 2.725 1.800 3.650 parsed_6u7u 1 90 1 . . . . . 2.785 1.800 3.770 parsed_6u7u 1 91 1 . . . . . 2.530 1.800 3.260 parsed_6u7u 1 92 1 . . . . . 2.455 1.800 3.110 parsed_6u7u 1 93 1 . . . . . 2.580 1.800 3.360 parsed_6u7u 1 94 1 . . . . . 2.750 1.800 3.700 parsed_6u7u 1 95 1 . . . . . 2.915 1.800 4.030 parsed_6u7u 1 96 1 . . . . . 3.030 1.800 4.260 parsed_6u7u 1 97 1 . . . . . 2.660 1.800 3.520 parsed_6u7u 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 "distance restraints" 2 1 2 21 parsed_6u7u 1 stop_ loop_ _Dist_constraint_parse_err.ID _Dist_constraint_parse_err.Content _Dist_constraint_parse_err.Begin_line _Dist_constraint_parse_err.Begin_column _Dist_constraint_parse_err.End_line _Dist_constraint_parse_err.End_column _Dist_constraint_parse_err.Entry_ID _Dist_constraint_parse_err.Distance_constraint_list_ID 1 "# Restraints file 1: restraints.tbl" 1 1 1 35 parsed_6u7u 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_6u7u _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.5 -110.5 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_6u7u 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 134.6 174.6 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_6u7u 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.4 -72.4 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_6u7u 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.7 168.1 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_6u7u 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -49.4 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_6u7u 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.5 175.5 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_6u7u 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -58.0 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_6u7u 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.4 161.0 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_6u7u 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.8 166.8 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_6u7u 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16.6 156.6 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_6u7u 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -184.1 -55.3 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_6u7u 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 81.5 206.7 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_6u7u 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.1 -53.7 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_6u7u 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93.6 159.4 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_6u7u 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.2 -58.6 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_6u7u 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 46.4 151.4 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_6u7u 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -65.0 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_6u7u 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 3 . N . 3 . CA . 3 . CB . 3 . CG parsed_6u7u 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 6 . N . 6 . CA . 6 . CB . 6 . OG parsed_6u7u 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 14 . N . 14 . CA . 14 . CB . 14 . CG parsed_6u7u 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 restraints" 1 1 1 21 parsed_6u7u 1 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_6u7u _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 4 _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_6u7u 2 2 1 . . . parsed_6u7u 2 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 . . . . . . . . . 10 . HN parsed_6u7u 2 1 1 2 . . . . . . . . . 4 . OG1 parsed_6u7u 2 2 1 1 . . . . . . . . . 10 . N parsed_6u7u 2 2 1 2 . . . . . . . . . 4 . OG1 parsed_6u7u 2 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 . . . . . 0 0 2 parsed_6u7u 2 2 1 . . . . . 0 0 3 parsed_6u7u 2 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 HBonds 1 1 1 8 parsed_6u7u 2 stop_ save_
Contact the webmaster for help, if required. Wednesday, June 26, 2024 3:53:11 AM GMT (wattos1)