NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
490361 | 2ksa | 20116 | cing | 2-parsed | STAR | entry | full | 128 |
data_2ksa_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2ksa _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_2ksa 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2ksa _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 2ksa "Master copy" parsed_2ksa stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2ksa _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 2ksa.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ksa 1 1 2ksa.mr . . XPLOR/CNS 2 distance NOE simple 119 parsed_2ksa 1 1 2ksa.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 9 parsed_2ksa 1 1 2ksa.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ksa 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_2ksa _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 RECEPTOR/NEUROPEPTIDE 31-DEC-09 2KSA *TITLE SUBSTANCE P IN DMPC/CHAPS ISOTROPIC Q=0.25 BICELLES AS A LIGAND FOR *TITLE 2 NK1R *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: SUBSTANCE-P RECEPTOR; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: UNP RESIDUES 1-364; *COMPND 5 SYNONYM: SPR, NK-1 RECEPTOR, NK-1R, TACHYKININ RECEPTOR 1; *COMPND 6 MOL_ID: 2; *COMPND 7 MOLECULE: SUBSTANCE P; *COMPND 8 CHAIN: B; *COMPND 9 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; *SOURCE 3 ORGANISM_COMMON: HUMAN; *SOURCE 4 ORGANISM_TAXID: 9606; *SOURCE 5 MOL_ID: 2; *SOURCE 6 SYNTHETIC: YES; *SOURCE 7 OTHER_DETAILS: SYNTHETIC PEPTIDE *KEYWDS SUBSTANCE P, DMPC/CHAPS BICELLE, AUTODOCK, NK1R, NEUROPEPTIDE *KEYWDS 2 RECEPTOR-NEUROPEPTIDE COMPLEX *EXPDTA SOLUTION NMR *NUMMDL 5 *AUTHOR A.GAYEN, C.MUKHOPADHYAY *REVDAT 2 17-NOV-10 2KSA 1 NEW RESTRAINTS FILE *REVDAT 1 03-NOV-10 2KSA 0 ; save_ save_CNS/XPLOR_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2ksa _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_2ksa 1 2 1 . . . parsed_2ksa 1 3 1 . . . parsed_2ksa 1 4 1 . . . parsed_2ksa 1 5 1 . . . parsed_2ksa 1 6 1 . . . parsed_2ksa 1 7 1 . . . parsed_2ksa 1 8 1 . . . parsed_2ksa 1 9 1 . . . parsed_2ksa 1 10 1 . . . parsed_2ksa 1 11 1 . . . parsed_2ksa 1 12 1 . . . parsed_2ksa 1 13 1 . . . parsed_2ksa 1 14 1 . . . parsed_2ksa 1 15 1 . . . parsed_2ksa 1 16 1 . . . parsed_2ksa 1 17 1 . . . parsed_2ksa 1 18 1 . . . parsed_2ksa 1 19 1 . . . parsed_2ksa 1 20 1 . . . parsed_2ksa 1 21 1 . . . parsed_2ksa 1 22 1 . . . parsed_2ksa 1 23 1 . . . parsed_2ksa 1 24 1 . . . parsed_2ksa 1 25 1 . . . parsed_2ksa 1 26 1 . . . parsed_2ksa 1 27 1 . . . parsed_2ksa 1 28 1 . . . parsed_2ksa 1 29 1 . . . parsed_2ksa 1 30 1 . . . parsed_2ksa 1 31 1 . . . parsed_2ksa 1 32 1 . . . parsed_2ksa 1 33 1 . . . parsed_2ksa 1 34 1 . . . parsed_2ksa 1 35 1 . . . parsed_2ksa 1 36 1 . . . parsed_2ksa 1 37 1 . . . parsed_2ksa 1 38 1 . . . parsed_2ksa 1 39 1 . . . parsed_2ksa 1 40 1 . . . parsed_2ksa 1 41 1 . . . parsed_2ksa 1 42 1 . . . parsed_2ksa 1 43 1 . . . parsed_2ksa 1 44 1 . . . parsed_2ksa 1 45 1 . . . parsed_2ksa 1 46 1 . . . parsed_2ksa 1 47 1 . . . parsed_2ksa 1 48 1 . . . parsed_2ksa 1 49 1 . . . parsed_2ksa 1 50 1 . . . parsed_2ksa 1 51 1 . . . parsed_2ksa 1 52 1 . . . parsed_2ksa 1 53 1 . . . parsed_2ksa 1 54 1 . . . parsed_2ksa 1 55 1 . . . parsed_2ksa 1 56 1 . . . parsed_2ksa 1 57 1 . . . parsed_2ksa 1 58 1 . . . parsed_2ksa 1 59 1 . . . parsed_2ksa 1 60 1 . . . parsed_2ksa 1 61 1 . . . parsed_2ksa 1 62 1 . . . parsed_2ksa 1 63 1 . . . parsed_2ksa 1 64 1 . . . parsed_2ksa 1 65 1 . . . parsed_2ksa 1 66 1 . . . parsed_2ksa 1 67 1 . . . parsed_2ksa 1 68 1 . . . parsed_2ksa 1 69 1 . . . parsed_2ksa 1 70 1 . . . parsed_2ksa 1 71 1 . . . parsed_2ksa 1 72 1 . . . parsed_2ksa 1 73 1 . . . parsed_2ksa 1 74 1 . . . parsed_2ksa 1 75 1 . . . parsed_2ksa 1 76 1 . . . parsed_2ksa 1 77 1 . . . parsed_2ksa 1 78 1 . . . parsed_2ksa 1 79 1 . . . parsed_2ksa 1 80 1 . . . parsed_2ksa 1 81 1 . . . parsed_2ksa 1 82 1 . . . parsed_2ksa 1 83 1 . . . parsed_2ksa 1 84 1 . . . parsed_2ksa 1 85 1 . . . parsed_2ksa 1 86 1 . . . parsed_2ksa 1 87 1 . . . parsed_2ksa 1 88 1 . . . parsed_2ksa 1 89 1 . . . parsed_2ksa 1 90 1 . . . parsed_2ksa 1 91 1 . . . parsed_2ksa 1 92 1 . . . parsed_2ksa 1 93 1 . . . parsed_2ksa 1 94 1 . . . parsed_2ksa 1 95 1 . . . parsed_2ksa 1 96 1 . . . parsed_2ksa 1 97 1 . . . parsed_2ksa 1 98 1 . . . parsed_2ksa 1 99 1 . . . parsed_2ksa 1 100 1 . . . parsed_2ksa 1 101 1 . . . parsed_2ksa 1 102 1 . . . parsed_2ksa 1 103 1 . . . parsed_2ksa 1 104 1 . . . parsed_2ksa 1 105 1 . . . parsed_2ksa 1 106 1 . . . parsed_2ksa 1 107 1 . . . parsed_2ksa 1 108 1 . . . parsed_2ksa 1 109 1 . . . parsed_2ksa 1 110 1 . . . parsed_2ksa 1 111 1 . . . parsed_2ksa 1 112 1 . . . parsed_2ksa 1 113 1 . . . parsed_2ksa 1 114 1 . . . parsed_2ksa 1 115 1 . . . parsed_2ksa 1 116 1 . . . parsed_2ksa 1 117 1 . . . parsed_2ksa 1 118 1 . . . parsed_2ksa 1 119 1 . . . parsed_2ksa 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 . . . . . . . . . 365 . HA parsed_2ksa 1 1 1 2 . . . . . . . . . 365 . HB# parsed_2ksa 1 2 1 1 . . . . . . . . . 365 . HA parsed_2ksa 1 2 1 2 . . . . . . . . . 365 . HD# parsed_2ksa 1 3 1 1 . . . . . . . . . 365 . HB# parsed_2ksa 1 3 1 2 . . . . . . . . . 365 . HD# parsed_2ksa 1 4 1 1 . . . . . . . . . 366 . HA parsed_2ksa 1 4 1 2 . . . . . . . . . 366 . HB# parsed_2ksa 1 5 1 1 . . . . . . . . . 366 . HA parsed_2ksa 1 5 1 2 . . . . . . . . . 366 . HG# parsed_2ksa 1 6 1 1 . . . . . . . . . 366 . HA parsed_2ksa 1 6 1 2 . . . . . . . . . 366 . HD# parsed_2ksa 1 7 1 1 . . . . . . . . . 366 . HD# parsed_2ksa 1 7 1 2 . . . . . . . . . 366 . HB# parsed_2ksa 1 8 1 1 . . . . . . . . . 366 . HD# parsed_2ksa 1 8 1 2 . . . . . . . . . 366 . HG# parsed_2ksa 1 9 1 1 . . . . . . . . . 366 . HB# parsed_2ksa 1 9 1 2 . . . . . . . . . 366 . HD# parsed_2ksa 1 10 1 1 . . . . . . . . . 366 . HG# parsed_2ksa 1 10 1 2 . . . . . . . . . 366 . HB# parsed_2ksa 1 11 1 1 . . . . . . . . . 366 . HA parsed_2ksa 1 11 1 2 . . . . . . . . . 366 . HG# parsed_2ksa 1 12 1 1 . . . . . . . . . 367 . HA parsed_2ksa 1 12 1 2 . . . . . . . . . 367 . HD# parsed_2ksa 1 13 1 1 . . . . . . . . . 367 . HA parsed_2ksa 1 13 1 2 . . . . . . . . . 367 . HE# parsed_2ksa 1 14 1 1 . . . . . . . . . 367 . HA parsed_2ksa 1 14 1 2 . . . . . . . . . 367 . HG# parsed_2ksa 1 15 1 1 . . . . . . . . . 367 . HA parsed_2ksa 1 15 1 2 . . . . . . . . . 367 . HN parsed_2ksa 1 16 1 1 . . . . . . . . . 367 . HB# parsed_2ksa 1 16 1 2 . . . . . . . . . 367 . HD# parsed_2ksa 1 17 1 1 . . . . . . . . . 367 . HB# parsed_2ksa 1 17 1 2 . . . . . . . . . 367 . HE# parsed_2ksa 1 18 1 1 . . . . . . . . . 367 . HB# parsed_2ksa 1 18 1 2 . . . . . . . . . 367 . HG# parsed_2ksa 1 19 1 1 . . . . . . . . . 367 . HD# parsed_2ksa 1 19 1 2 . . . . . . . . . 367 . HE# parsed_2ksa 1 20 1 1 . . . . . . . . . 367 . HD# parsed_2ksa 1 20 1 2 . . . . . . . . . 367 . HN parsed_2ksa 1 21 1 1 . . . . . . . . . 367 . HD# parsed_2ksa 1 21 1 2 . . . . . . . . . 367 . HG# parsed_2ksa 1 22 1 1 . . . . . . . . . 367 . HG# parsed_2ksa 1 22 1 2 . . . . . . . . . 367 . HE# parsed_2ksa 1 23 1 1 . . . . . . . . . 368 . HA parsed_2ksa 1 23 1 2 . . . . . . . . . 368 . HB# parsed_2ksa 1 24 1 1 . . . . . . . . . 368 . HA parsed_2ksa 1 24 1 2 . . . . . . . . . 368 . HG# parsed_2ksa 1 25 1 1 . . . . . . . . . 368 . HA parsed_2ksa 1 25 1 2 . . . . . . . . . 368 . HD# parsed_2ksa 1 26 1 1 . . . . . . . . . 368 . HB# parsed_2ksa 1 26 1 2 . . . . . . . . . 368 . HG# parsed_2ksa 1 27 1 1 . . . . . . . . . 368 . HB# parsed_2ksa 1 27 1 2 . . . . . . . . . 368 . HA parsed_2ksa 1 28 1 1 . . . . . . . . . 368 . HG# parsed_2ksa 1 28 1 2 . . . . . . . . . 368 . HA parsed_2ksa 1 29 1 1 . . . . . . . . . 368 . HB# parsed_2ksa 1 29 1 2 . . . . . . . . . 368 . HD# parsed_2ksa 1 30 1 1 . . . . . . . . . 368 . HG# parsed_2ksa 1 30 1 2 . . . . . . . . . 368 . HD# parsed_2ksa 1 31 1 1 . . . . . . . . . 369 . HA parsed_2ksa 1 31 1 2 . . . . . . . . . 369 . HB# parsed_2ksa 1 32 1 1 . . . . . . . . . 369 . HA parsed_2ksa 1 32 1 2 . . . . . . . . . 369 . HG# parsed_2ksa 1 33 1 1 . . . . . . . . . 369 . HA parsed_2ksa 1 33 1 2 . . . . . . . . . 369 . HN parsed_2ksa 1 34 1 1 . . . . . . . . . 369 . HA parsed_2ksa 1 34 1 2 . . . . . . . . . 369 . HE21 parsed_2ksa 1 35 1 1 . . . . . . . . . 369 . HB# parsed_2ksa 1 35 1 2 . . . . . . . . . 369 . HN parsed_2ksa 1 36 1 1 . . . . . . . . . 369 . HB# parsed_2ksa 1 36 1 2 . . . . . . . . . 369 . HE21 parsed_2ksa 1 37 1 1 . . . . . . . . . 369 . HG# parsed_2ksa 1 37 1 2 . . . . . . . . . 369 . HE21 parsed_2ksa 1 38 1 1 . . . . . . . . . 369 . HG# parsed_2ksa 1 38 1 2 . . . . . . . . . 369 . HE21 parsed_2ksa 1 39 1 1 . . . . . . . . . 369 . HE21 parsed_2ksa 1 39 1 2 . . . . . . . . . 369 . HE22 parsed_2ksa 1 40 1 1 . . . . . . . . . 370 . HA parsed_2ksa 1 40 1 2 . . . . . . . . . 370 . HB# parsed_2ksa 1 41 1 1 . . . . . . . . . 370 . HB# parsed_2ksa 1 41 1 2 . . . . . . . . . 370 . HG# parsed_2ksa 1 42 1 1 . . . . . . . . . 370 . HA parsed_2ksa 1 42 1 2 . . . . . . . . . 370 . HG# parsed_2ksa 1 43 1 1 . . . . . . . . . 370 . HE21 parsed_2ksa 1 43 1 2 . . . . . . . . . 370 . HE22 parsed_2ksa 1 44 1 1 . . . . . . . . . 370 . HB# parsed_2ksa 1 44 1 2 . . . . . . . . . 370 . HG# parsed_2ksa 1 45 1 1 . . . . . . . . . 370 . HA parsed_2ksa 1 45 1 2 . . . . . . . . . 370 . HE21 parsed_2ksa 1 46 1 1 . . . . . . . . . 370 . HB# parsed_2ksa 1 46 1 2 . . . . . . . . . 370 . HN parsed_2ksa 1 47 1 1 . . . . . . . . . 371 . HA parsed_2ksa 1 47 1 2 . . . . . . . . . 371 . HB# parsed_2ksa 1 48 1 1 . . . . . . . . . 371 . HB# parsed_2ksa 1 48 1 2 . . . . . . . . . 371 . HD# parsed_2ksa 1 49 1 1 . . . . . . . . . 371 . HA parsed_2ksa 1 49 1 2 . . . . . . . . . 371 . HN parsed_2ksa 1 50 1 1 . . . . . . . . . 371 . HA parsed_2ksa 1 50 1 2 . . . . . . . . . 371 . HD# parsed_2ksa 1 51 1 1 . . . . . . . . . 371 . HD# parsed_2ksa 1 51 1 2 . . . . . . . . . 371 . HE# parsed_2ksa 1 52 1 1 . . . . . . . . . 372 . HA parsed_2ksa 1 52 1 2 . . . . . . . . . 372 . HN parsed_2ksa 1 53 1 1 . . . . . . . . . 372 . HB# parsed_2ksa 1 53 1 2 . . . . . . . . . 372 . HD# parsed_2ksa 1 54 1 1 . . . . . . . . . 372 . HA parsed_2ksa 1 54 1 2 . . . . . . . . . 372 . HB# parsed_2ksa 1 55 1 1 . . . . . . . . . 372 . HB# parsed_2ksa 1 55 1 2 . . . . . . . . . 372 . HE# parsed_2ksa 1 56 1 1 . . . . . . . . . 373 . HA# parsed_2ksa 1 56 1 2 . . . . . . . . . 373 . HN parsed_2ksa 1 57 1 1 . . . . . . . . . 374 . HA parsed_2ksa 1 57 1 2 . . . . . . . . . 374 . HB# parsed_2ksa 1 58 1 1 . . . . . . . . . 374 . HA parsed_2ksa 1 58 1 2 . . . . . . . . . 374 . HG# parsed_2ksa 1 59 1 1 . . . . . . . . . 374 . HA parsed_2ksa 1 59 1 2 . . . . . . . . . 374 . HD# parsed_2ksa 1 60 1 1 . . . . . . . . . 374 . HA parsed_2ksa 1 60 1 2 . . . . . . . . . 374 . HN parsed_2ksa 1 61 1 1 . . . . . . . . . 374 . HA parsed_2ksa 1 61 1 2 . . . . . . . . . 374 . HD# parsed_2ksa 1 62 1 1 . . . . . . . . . 374 . HB# parsed_2ksa 1 62 1 2 . . . . . . . . . 374 . HD# parsed_2ksa 1 63 1 1 . . . . . . . . . 374 . HG# parsed_2ksa 1 63 1 2 . . . . . . . . . 374 . HD# parsed_2ksa 1 64 1 1 . . . . . . . . . 375 . HA parsed_2ksa 1 64 1 2 . . . . . . . . . 375 . HG# parsed_2ksa 1 65 1 1 . . . . . . . . . 375 . HA parsed_2ksa 1 65 1 2 . . . . . . . . . 375 . HB# parsed_2ksa 1 66 1 1 . . . . . . . . . 375 . HA parsed_2ksa 1 66 1 2 . . . . . . . . . 375 . HN parsed_2ksa 1 67 1 1 . . . . . . . . . 375 . HB# parsed_2ksa 1 67 1 2 . . . . . . . . . 375 . HG# parsed_2ksa 1 68 1 1 . . . . . . . . . 365 . HA parsed_2ksa 1 68 1 2 . . . . . . . . . 366 . HD# parsed_2ksa 1 69 1 1 . . . . . . . . . 367 . HA parsed_2ksa 1 69 1 2 . . . . . . . . . 368 . HD# parsed_2ksa 1 70 1 1 . . . . . . . . . 367 . HA parsed_2ksa 1 70 1 2 . . . . . . . . . 368 . HD# parsed_2ksa 1 71 1 1 . . . . . . . . . 367 . HG# parsed_2ksa 1 71 1 2 . . . . . . . . . 368 . HD# parsed_2ksa 1 72 1 1 . . . . . . . . . 367 . HB# parsed_2ksa 1 72 1 2 . . . . . . . . . 369 . HB# parsed_2ksa 1 73 1 1 . . . . . . . . . 367 . HA parsed_2ksa 1 73 1 2 . . . . . . . . . 368 . HB# parsed_2ksa 1 74 1 1 . . . . . . . . . 367 . HA parsed_2ksa 1 74 1 2 . . . . . . . . . 368 . HG# parsed_2ksa 1 75 1 1 . . . . . . . . . 368 . HA parsed_2ksa 1 75 1 2 . . . . . . . . . 369 . HN parsed_2ksa 1 76 1 1 . . . . . . . . . 368 . HA parsed_2ksa 1 76 1 2 . . . . . . . . . 369 . HE22 parsed_2ksa 1 77 1 1 . . . . . . . . . 368 . HA parsed_2ksa 1 77 1 2 . . . . . . . . . 370 . HE22 parsed_2ksa 1 78 1 1 . . . . . . . . . 368 . HA parsed_2ksa 1 78 1 2 . . . . . . . . . 371 . HN parsed_2ksa 1 79 1 1 . . . . . . . . . 368 . HA parsed_2ksa 1 79 1 2 . . . . . . . . . 372 . HN parsed_2ksa 1 80 1 1 . . . . . . . . . 368 . HD# parsed_2ksa 1 80 1 2 . . . . . . . . . 367 . HG# parsed_2ksa 1 81 1 1 . . . . . . . . . 369 . HN parsed_2ksa 1 81 1 2 . . . . . . . . . 371 . HN parsed_2ksa 1 82 1 1 . . . . . . . . . 369 . HN parsed_2ksa 1 82 1 2 . . . . . . . . . 372 . HN parsed_2ksa 1 83 1 1 . . . . . . . . . 369 . HB# parsed_2ksa 1 83 1 2 . . . . . . . . . 367 . HB# parsed_2ksa 1 84 1 1 . . . . . . . . . 369 . HG# parsed_2ksa 1 84 1 2 . . . . . . . . . 367 . HB# parsed_2ksa 1 85 1 1 . . . . . . . . . 369 . HB# parsed_2ksa 1 85 1 2 . . . . . . . . . 370 . HB# parsed_2ksa 1 86 1 1 . . . . . . . . . 369 . HG# parsed_2ksa 1 86 1 2 . . . . . . . . . 370 . HG# parsed_2ksa 1 87 1 1 . . . . . . . . . 369 . HB# parsed_2ksa 1 87 1 2 . . . . . . . . . 368 . HB# parsed_2ksa 1 88 1 1 . . . . . . . . . 369 . HB# parsed_2ksa 1 88 1 2 . . . . . . . . . 368 . HG# parsed_2ksa 1 89 1 1 . . . . . . . . . 369 . HG# parsed_2ksa 1 89 1 2 . . . . . . . . . 368 . HB# parsed_2ksa 1 90 1 1 . . . . . . . . . 369 . HG# parsed_2ksa 1 90 1 2 . . . . . . . . . 368 . HG# parsed_2ksa 1 91 1 1 . . . . . . . . . 369 . HB# parsed_2ksa 1 91 1 2 . . . . . . . . . 370 . HG# parsed_2ksa 1 92 1 1 . . . . . . . . . 370 . HB# parsed_2ksa 1 92 1 2 . . . . . . . . . 369 . HB# parsed_2ksa 1 93 1 1 . . . . . . . . . 370 . HB# parsed_2ksa 1 93 1 2 . . . . . . . . . 369 . HG# parsed_2ksa 1 94 1 1 . . . . . . . . . 371 . HA parsed_2ksa 1 94 1 2 . . . . . . . . . 369 . HE21 parsed_2ksa 1 95 1 1 . . . . . . . . . 371 . HA parsed_2ksa 1 95 1 2 . . . . . . . . . 370 . HN parsed_2ksa 1 96 1 1 . . . . . . . . . 371 . HA parsed_2ksa 1 96 1 2 . . . . . . . . . 370 . HE21 parsed_2ksa 1 97 1 1 . . . . . . . . . 371 . HA parsed_2ksa 1 97 1 2 . . . . . . . . . 372 . HN parsed_2ksa 1 98 1 1 . . . . . . . . . 371 . HA parsed_2ksa 1 98 1 2 . . . . . . . . . 372 . HD# parsed_2ksa 1 99 1 1 . . . . . . . . . 371 . HA parsed_2ksa 1 99 1 2 . . . . . . . . . 374 . HN parsed_2ksa 1 100 1 1 . . . . . . . . . 371 . HB# parsed_2ksa 1 100 1 2 . . . . . . . . . 369 . HE22 parsed_2ksa 1 101 1 1 . . . . . . . . . 371 . HA parsed_2ksa 1 101 1 2 . . . . . . . . . 372 . HA parsed_2ksa 1 102 1 1 . . . . . . . . . 371 . HB# parsed_2ksa 1 102 1 2 . . . . . . . . . 372 . HB# parsed_2ksa 1 103 1 1 . . . . . . . . . 371 . HA parsed_2ksa 1 103 1 2 . . . . . . . . . 373 . HA# parsed_2ksa 1 104 1 1 . . . . . . . . . 372 . HA parsed_2ksa 1 104 1 2 . . . . . . . . . 373 . HA# parsed_2ksa 1 105 1 1 . . . . . . . . . 371 . HN parsed_2ksa 1 105 1 2 . . . . . . . . . 369 . HA parsed_2ksa 1 106 1 1 . . . . . . . . . 371 . HN parsed_2ksa 1 106 1 2 . . . . . . . . . 369 . HN parsed_2ksa 1 107 1 1 . . . . . . . . . 371 . HA parsed_2ksa 1 107 1 2 . . . . . . . . . 373 . HN parsed_2ksa 1 108 1 1 . . . . . . . . . 371 . HN parsed_2ksa 1 108 1 2 . . . . . . . . . 373 . HN parsed_2ksa 1 109 1 1 . . . . . . . . . 372 . HN parsed_2ksa 1 109 1 2 . . . . . . . . . 373 . HN parsed_2ksa 1 110 1 1 . . . . . . . . . 372 . HB# parsed_2ksa 1 110 1 2 . . . . . . . . . 374 . HN parsed_2ksa 1 111 1 1 . . . . . . . . . 373 . HA# parsed_2ksa 1 111 1 2 . . . . . . . . . 371 . HA parsed_2ksa 1 112 1 1 . . . . . . . . . 373 . HA# parsed_2ksa 1 112 1 2 . . . . . . . . . 372 . HA parsed_2ksa 1 113 1 1 . . . . . . . . . 374 . HA parsed_2ksa 1 113 1 2 . . . . . . . . . 372 . HB# parsed_2ksa 1 114 1 1 . . . . . . . . . 374 . HB# parsed_2ksa 1 114 1 2 . . . . . . . . . 375 . HG# parsed_2ksa 1 115 1 1 . . . . . . . . . 374 . HG# parsed_2ksa 1 115 1 2 . . . . . . . . . 375 . HG# parsed_2ksa 1 116 1 1 . . . . . . . . . 374 . HD# parsed_2ksa 1 116 1 2 . . . . . . . . . 375 . HB# parsed_2ksa 1 117 1 1 . . . . . . . . . 375 . HB# parsed_2ksa 1 117 1 2 . . . . . . . . . 374 . HB# parsed_2ksa 1 118 1 1 . . . . . . . . . 375 . HB# parsed_2ksa 1 118 1 2 . . . . . . . . . 374 . HG# parsed_2ksa 1 119 1 1 . . . . . . . . . 373 . HA# parsed_2ksa 1 119 1 2 . . . . . . . . . 371 . HB# parsed_2ksa 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 . . . . . 4 1.8 5.0 parsed_2ksa 1 2 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 3 1 . . . . . 4 1.8 4.0 parsed_2ksa 1 4 1 . . . . . 4 1.8 4.0 parsed_2ksa 1 5 1 . . . . . 4 1.8 4.0 parsed_2ksa 1 6 1 . . . . . 4 1.8 6.0 parsed_2ksa 1 7 1 . . . . . 4 1.8 4.0 parsed_2ksa 1 8 1 . . . . . 4 1.8 4.0 parsed_2ksa 1 9 1 . . . . . 3 1.8 3.5 parsed_2ksa 1 10 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 11 1 . . . . . 4 1.8 4.0 parsed_2ksa 1 12 1 . . . . . 3 1.8 3.5 parsed_2ksa 1 13 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 14 1 . . . . . 4 1.8 4.0 parsed_2ksa 1 15 1 . . . . . 3 1.8 3.5 parsed_2ksa 1 16 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 17 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 18 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 19 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 20 1 . . . . . 4 1.8 6.0 parsed_2ksa 1 21 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 22 1 . . . . . 3 1.8 3.5 parsed_2ksa 1 23 1 . . . . . 3 1.8 3.5 parsed_2ksa 1 24 1 . . . . . 4 1.8 4.0 parsed_2ksa 1 25 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 26 1 . . . . . 4 1.8 4.0 parsed_2ksa 1 27 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 28 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 29 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 30 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 31 1 . . . . . 4 1.8 4.0 parsed_2ksa 1 32 1 . . . . . 4 1.8 4.0 parsed_2ksa 1 33 1 . . . . . 4 1.8 4.0 parsed_2ksa 1 34 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 35 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 36 1 . . . . . 4 1.8 4.0 parsed_2ksa 1 37 1 . . . . . 4 1.8 4.0 parsed_2ksa 1 38 1 . . . . . 4 1.8 4.0 parsed_2ksa 1 39 1 . . . . . 4 1.8 4.0 parsed_2ksa 1 40 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 41 1 . . . . . 4 1.8 6.0 parsed_2ksa 1 42 1 . . . . . 3 1.8 3.5 parsed_2ksa 1 43 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 44 1 . . . . . 4 1.8 4.0 parsed_2ksa 1 45 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 46 1 . . . . . 4 1.8 4.0 parsed_2ksa 1 47 1 . . . . . 3 1.8 3.5 parsed_2ksa 1 48 1 . . . . . 4 1.8 4.0 parsed_2ksa 1 49 1 . . . . . 3 1.8 3.5 parsed_2ksa 1 50 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 51 1 . . . . . 4 1.8 4.0 parsed_2ksa 1 52 1 . . . . . 3 1.8 3.5 parsed_2ksa 1 53 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 54 1 . . . . . 3 1.8 3.5 parsed_2ksa 1 55 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 56 1 . . . . . 3 1.8 3.5 parsed_2ksa 1 57 1 . . . . . 3 1.8 3.5 parsed_2ksa 1 58 1 . . . . . 3 1.8 3.5 parsed_2ksa 1 59 1 . . . . . 3 1.8 3.5 parsed_2ksa 1 60 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 61 1 . . . . . 4 1.8 4.0 parsed_2ksa 1 62 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 63 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 64 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 65 1 . . . . . 3 1.8 3.5 parsed_2ksa 1 66 1 . . . . . 4 1.8 4.0 parsed_2ksa 1 67 1 . . . . . 4 1.8 4.0 parsed_2ksa 1 68 1 . . . . . 4 1.8 4.0 parsed_2ksa 1 69 1 . . . . . 4 1.8 4.0 parsed_2ksa 1 70 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 71 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 72 1 . . . . . 4 1.8 6.0 parsed_2ksa 1 73 1 . . . . . 4 1.8 6.0 parsed_2ksa 1 74 1 . . . . . 4 1.8 6.0 parsed_2ksa 1 75 1 . . . . . 4 1.8 4.0 parsed_2ksa 1 76 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 77 1 . . . . . 4 1.8 6.0 parsed_2ksa 1 78 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 79 1 . . . . . 4 1.8 6.0 parsed_2ksa 1 80 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 81 1 . . . . . 4 1.8 4.0 parsed_2ksa 1 82 1 . . . . . 4 1.8 6.0 parsed_2ksa 1 83 1 . . . . . 4 1.8 6.0 parsed_2ksa 1 84 1 . . . . . 4 1.8 4.0 parsed_2ksa 1 85 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 86 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 87 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 88 1 . . . . . 4 1.8 6.0 parsed_2ksa 1 89 1 . . . . . 4 1.8 6.0 parsed_2ksa 1 90 1 . . . . . 4 1.8 4.0 parsed_2ksa 1 91 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 92 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 93 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 94 1 . . . . . 4 1.8 6.0 parsed_2ksa 1 95 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 96 1 . . . . . 4 1.8 6.0 parsed_2ksa 1 97 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 98 1 . . . . . 4 1.8 6.0 parsed_2ksa 1 99 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 100 1 . . . . . 4 1.8 6.0 parsed_2ksa 1 101 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 102 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 103 1 . . . . . 4 1.8 6.0 parsed_2ksa 1 104 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 105 1 . . . . . 4 1.8 6.0 parsed_2ksa 1 106 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 107 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 108 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 109 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 110 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 111 1 . . . . . 4 1.8 6.0 parsed_2ksa 1 112 1 . . . . . 4 1.8 4.0 parsed_2ksa 1 113 1 . . . . . 4 1.8 6.0 parsed_2ksa 1 114 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 115 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 116 1 . . . . . 4 1.8 4.0 parsed_2ksa 1 117 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 118 1 . . . . . 4 1.8 5.0 parsed_2ksa 1 119 1 . . . . . 4 1.8 6.0 parsed_2ksa 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 ; echo=false wrnlev=0 ; 1 1 2 16 parsed_2ksa 1 2 ; Restraints dihedral set intraresidue i-i ; 3 1 5 19 parsed_2ksa 1 3 "interresidue i-j" 75 1 75 19 parsed_2ksa 1 4 ; echo=true wrnlev=5 ; 128 1 129 16 parsed_2ksa 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_2ksa _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.0 -52.0 . . 365 . c . 366 . n . 366 . ca . 366 . c parsed_2ksa 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -56.0 . . 366 . c . 367 . n . 367 . ca . 367 . c parsed_2ksa 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.0 -52.0 . . 367 . c . 368 . n . 368 . ca . 368 . c parsed_2ksa 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -56.0 . . 368 . c . 369 . n . 369 . ca . 369 . c parsed_2ksa 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -56.0 . . 369 . c . 370 . n . 370 . ca . 370 . c parsed_2ksa 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -56.0 . . 370 . c . 371 . n . 371 . ca . 371 . c parsed_2ksa 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -56.0 . . 371 . c . 372 . n . 372 . ca . 372 . c parsed_2ksa 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.0 -55.0 . . 373 . c . 374 . n . 374 . ca . 374 . c parsed_2ksa 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -56.0 . . 374 . c . 375 . n . 375 . ca . 375 . c parsed_2ksa 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 ; ! ! Phi restraints: minimum deviation = 30 degrees ! 366 ; 1 1 4 12 parsed_2ksa 1 2 "! 367" 7 3 7 12 parsed_2ksa 1 3 "! 368" 10 3 10 12 parsed_2ksa 1 4 "! 369" 13 3 13 12 parsed_2ksa 1 5 "! 370" 16 3 16 12 parsed_2ksa 1 6 "! 371" 19 4 19 13 parsed_2ksa 1 7 "! 372" 22 4 22 12 parsed_2ksa 1 8 "! 374" 25 3 25 11 parsed_2ksa 1 9 "! 375" 28 3 28 11 parsed_2ksa 1 10 ! 31 3 31 5 parsed_2ksa 1 stop_ save_
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