NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
573085 | 2m5l | 19059 | cing | 2-parsed | STAR | entry | full | 141 |
data_2m5l_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2m5l _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_2m5l 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2m5l _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 2m5l "Master copy" parsed_2m5l stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2m5l _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 2m5l.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2m5l 1 1 2m5l.mr . . XPLOR/CNS 2 distance NOE simple 121 parsed_2m5l 1 1 2m5l.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 20 parsed_2m5l 1 1 2m5l.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2m5l 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_2m5l _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 VIRAL PROTEIN 27-FEB-13 2M5L *TITLE NS5A308 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: NS5A PROTEIN; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: UNP RESIDUES 2280-2301; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS C VIRUS; *SOURCE 3 ORGANISM_TAXID: 333284; *SOURCE 4 STRAIN: CON 1; *SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; *SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; *SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PT7-7; *SOURCE 9 OTHER_DETAILS: 15N 13C LABELED SAMPLE *KEYWDS HEPATITIS C VIRUS, NS5A PROTEIN, DOMAIN 2, INTRINSICALLY DISORDERED *KEYWDS 2 PROTEIN, VIRAL PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 28 *AUTHOR R.MONTSERRET, A.BADILLO, X.HANOULLE, G.LIPPENS, F.PENIN *REVDAT 1 05-MAR-14 2M5L 0 ; save_ save_CNS/XPLOR_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2m5l _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_2m5l 1 2 1 . . . parsed_2m5l 1 3 1 . . . parsed_2m5l 1 4 1 . . . parsed_2m5l 1 5 1 . . . parsed_2m5l 1 6 1 . . . parsed_2m5l 1 7 1 . . . parsed_2m5l 1 8 1 . . . parsed_2m5l 1 9 1 . . . parsed_2m5l 1 10 1 . . . parsed_2m5l 1 11 1 . . . parsed_2m5l 1 12 1 . . . parsed_2m5l 1 13 1 . . . parsed_2m5l 1 14 1 . . . parsed_2m5l 1 15 1 . . . parsed_2m5l 1 16 1 . . . parsed_2m5l 1 17 1 . . . parsed_2m5l 1 18 1 . . . parsed_2m5l 1 19 1 . . . parsed_2m5l 1 20 1 . . . parsed_2m5l 1 21 1 . . . parsed_2m5l 1 22 1 . . . parsed_2m5l 1 23 1 . . . parsed_2m5l 1 24 1 . . . parsed_2m5l 1 25 1 . . . parsed_2m5l 1 26 1 . . . parsed_2m5l 1 27 1 . . . parsed_2m5l 1 28 1 . . . parsed_2m5l 1 29 1 . . . parsed_2m5l 1 30 1 . . . parsed_2m5l 1 31 1 . . . parsed_2m5l 1 32 1 . . . parsed_2m5l 1 33 1 . . . parsed_2m5l 1 34 1 . . . parsed_2m5l 1 35 1 . . . parsed_2m5l 1 36 1 . . . parsed_2m5l 1 37 1 . . . parsed_2m5l 1 38 1 . . . parsed_2m5l 1 39 1 . . . parsed_2m5l 1 40 1 . . . parsed_2m5l 1 41 1 . . . parsed_2m5l 1 42 1 . . . parsed_2m5l 1 43 1 . . . parsed_2m5l 1 44 1 . . . parsed_2m5l 1 45 1 . . . parsed_2m5l 1 46 1 . . . parsed_2m5l 1 47 1 . . . parsed_2m5l 1 48 1 . . . parsed_2m5l 1 49 1 . . . parsed_2m5l 1 50 1 . . . parsed_2m5l 1 51 1 . . . parsed_2m5l 1 52 1 . . . parsed_2m5l 1 53 1 . . . parsed_2m5l 1 54 1 . . . parsed_2m5l 1 55 1 . . . parsed_2m5l 1 56 1 . . . parsed_2m5l 1 57 1 . . . parsed_2m5l 1 58 1 . . . parsed_2m5l 1 59 1 . . . parsed_2m5l 1 60 1 . . . parsed_2m5l 1 61 1 . . . parsed_2m5l 1 62 1 . . . parsed_2m5l 1 63 1 . . . parsed_2m5l 1 64 1 . . . parsed_2m5l 1 65 1 . . . parsed_2m5l 1 66 1 . . . parsed_2m5l 1 67 1 . . . parsed_2m5l 1 68 1 . . . parsed_2m5l 1 69 1 . . . parsed_2m5l 1 70 1 . . . parsed_2m5l 1 71 1 . . . parsed_2m5l 1 72 1 . . . parsed_2m5l 1 73 1 . . . parsed_2m5l 1 74 1 . . . parsed_2m5l 1 75 1 . . . parsed_2m5l 1 76 1 . . . parsed_2m5l 1 77 1 . . . parsed_2m5l 1 78 1 . . . parsed_2m5l 1 79 1 . . . parsed_2m5l 1 80 1 . . . parsed_2m5l 1 81 1 . . . parsed_2m5l 1 82 1 . . . parsed_2m5l 1 83 1 . . . parsed_2m5l 1 84 1 . . . parsed_2m5l 1 85 1 . . . parsed_2m5l 1 86 1 . . . parsed_2m5l 1 87 1 . . . parsed_2m5l 1 88 1 . . . parsed_2m5l 1 89 1 . . . parsed_2m5l 1 90 1 . . . parsed_2m5l 1 91 1 . . . parsed_2m5l 1 92 1 . . . parsed_2m5l 1 93 1 . . . parsed_2m5l 1 94 1 . . . parsed_2m5l 1 95 1 . . . parsed_2m5l 1 96 1 . . . parsed_2m5l 1 97 1 . . . parsed_2m5l 1 98 1 . . . parsed_2m5l 1 99 1 . . . parsed_2m5l 1 100 1 . . . parsed_2m5l 1 101 1 . . . parsed_2m5l 1 102 1 . . . parsed_2m5l 1 103 1 . . . parsed_2m5l 1 104 1 . . . parsed_2m5l 1 105 1 . . . parsed_2m5l 1 106 1 . . . parsed_2m5l 1 107 1 . . . parsed_2m5l 1 108 1 . . . parsed_2m5l 1 109 1 . . . parsed_2m5l 1 110 1 . . . parsed_2m5l 1 111 1 . . . parsed_2m5l 1 112 1 . . . parsed_2m5l 1 113 1 . . . parsed_2m5l 1 114 1 . . . parsed_2m5l 1 115 1 . . . parsed_2m5l 1 116 1 . . . parsed_2m5l 1 117 1 . . . parsed_2m5l 1 118 1 . . . parsed_2m5l 1 119 1 . . . parsed_2m5l 1 120 1 . . . parsed_2m5l 1 121 1 . . . parsed_2m5l 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_2m5l 1 1 1 2 . . . . . . . . . 3 . HD1 parsed_2m5l 1 2 1 1 . . . . . . . . . 2 . HN parsed_2m5l 1 2 1 2 . . . . . . . . . 3 . HD2 parsed_2m5l 1 3 1 1 . . . . . . . . . 2 . HN parsed_2m5l 1 3 1 2 . . . . . . . . . 3 . HG# parsed_2m5l 1 4 1 1 . . . . . . . . . 2 . HA parsed_2m5l 1 4 1 2 . . . . . . . . . 3 . HD1 parsed_2m5l 1 5 1 1 . . . . . . . . . 2 . HA parsed_2m5l 1 5 1 2 . . . . . . . . . 3 . HD2 parsed_2m5l 1 6 1 1 . . . . . . . . . 2 . HA parsed_2m5l 1 6 1 2 . . . . . . . . . 3 . HG# parsed_2m5l 1 7 1 1 . . . . . . . . . 3 . HA parsed_2m5l 1 7 1 2 . . . . . . . . . 4 . HN parsed_2m5l 1 8 1 1 . . . . . . . . . 3 . HB1 parsed_2m5l 1 8 1 2 . . . . . . . . . 4 . HN parsed_2m5l 1 9 1 1 . . . . . . . . . 4 . HA parsed_2m5l 1 9 1 2 . . . . . . . . . 5 . HN parsed_2m5l 1 10 1 1 . . . . . . . . . 5 . HA parsed_2m5l 1 10 1 2 . . . . . . . . . 6 . HN parsed_2m5l 1 11 1 1 . . . . . . . . . 5 . HB# parsed_2m5l 1 11 1 2 . . . . . . . . . 6 . HN parsed_2m5l 1 12 1 1 . . . . . . . . . 6 . HN parsed_2m5l 1 12 1 2 . . . . . . . . . 7 . HD1 parsed_2m5l 1 13 1 1 . . . . . . . . . 6 . HN parsed_2m5l 1 13 1 2 . . . . . . . . . 7 . HD2 parsed_2m5l 1 14 1 1 . . . . . . . . . 6 . HA parsed_2m5l 1 14 1 2 . . . . . . . . . 7 . HD1 parsed_2m5l 1 15 1 1 . . . . . . . . . 6 . HA parsed_2m5l 1 15 1 2 . . . . . . . . . 7 . HD2 parsed_2m5l 1 16 1 1 . . . . . . . . . 6 . HA parsed_2m5l 1 16 1 2 . . . . . . . . . 7 . HG# parsed_2m5l 1 17 1 1 . . . . . . . . . 7 . HA parsed_2m5l 1 17 1 2 . . . . . . . . . 8 . HN parsed_2m5l 1 18 1 1 . . . . . . . . . 7 . HB1 parsed_2m5l 1 18 1 2 . . . . . . . . . 8 . HN parsed_2m5l 1 19 1 1 . . . . . . . . . 7 . HB2 parsed_2m5l 1 19 1 2 . . . . . . . . . 8 . HN parsed_2m5l 1 20 1 1 . . . . . . . . . 7 . HA parsed_2m5l 1 20 1 2 . . . . . . . . . 9 . HN parsed_2m5l 1 21 1 1 . . . . . . . . . 7 . HB1 parsed_2m5l 1 21 1 2 . . . . . . . . . 9 . HN parsed_2m5l 1 22 1 1 . . . . . . . . . 7 . HB2 parsed_2m5l 1 22 1 2 . . . . . . . . . 9 . HN parsed_2m5l 1 23 1 1 . . . . . . . . . 7 . HB2 parsed_2m5l 1 23 1 2 . . . . . . . . . 9 . HD1 parsed_2m5l 1 24 1 1 . . . . . . . . . 7 . HD1 parsed_2m5l 1 24 1 2 . . . . . . . . . 10 . HB# parsed_2m5l 1 25 1 1 . . . . . . . . . 7 . HD2 parsed_2m5l 1 25 1 2 . . . . . . . . . 10 . HB# parsed_2m5l 1 26 1 1 . . . . . . . . . 8 . HN parsed_2m5l 1 26 1 2 . . . . . . . . . 9 . HN parsed_2m5l 1 27 1 1 . . . . . . . . . 8 . HA parsed_2m5l 1 27 1 2 . . . . . . . . . 9 . HN parsed_2m5l 1 28 1 1 . . . . . . . . . 8 . HB parsed_2m5l 1 28 1 2 . . . . . . . . . 9 . HN parsed_2m5l 1 29 1 1 . . . . . . . . . 8 . HG11 parsed_2m5l 1 29 1 2 . . . . . . . . . 9 . HN parsed_2m5l 1 30 1 1 . . . . . . . . . 8 . HG12 parsed_2m5l 1 30 1 2 . . . . . . . . . 9 . HN parsed_2m5l 1 31 1 1 . . . . . . . . . 8 . HG2# parsed_2m5l 1 31 1 2 . . . . . . . . . 9 . HN parsed_2m5l 1 32 1 1 . . . . . . . . . 8 . HD1# parsed_2m5l 1 32 1 2 . . . . . . . . . 9 . HN parsed_2m5l 1 33 1 1 . . . . . . . . . 8 . HB parsed_2m5l 1 33 1 2 . . . . . . . . . 9 . HD1 parsed_2m5l 1 34 1 1 . . . . . . . . . 8 . HG11 parsed_2m5l 1 34 1 2 . . . . . . . . . 9 . HD1 parsed_2m5l 1 35 1 1 . . . . . . . . . 8 . HG2# parsed_2m5l 1 35 1 2 . . . . . . . . . 9 . HD1 parsed_2m5l 1 36 1 1 . . . . . . . . . 8 . HD1# parsed_2m5l 1 36 1 2 . . . . . . . . . 9 . HD1 parsed_2m5l 1 37 1 1 . . . . . . . . . 8 . HA parsed_2m5l 1 37 1 2 . . . . . . . . . 10 . HN parsed_2m5l 1 38 1 1 . . . . . . . . . 8 . HD1# parsed_2m5l 1 38 1 2 . . . . . . . . . 10 . HN parsed_2m5l 1 39 1 1 . . . . . . . . . 8 . HG2# parsed_2m5l 1 39 1 2 . . . . . . . . . 10 . HN parsed_2m5l 1 40 1 1 . . . . . . . . . 8 . HA parsed_2m5l 1 40 1 2 . . . . . . . . . 11 . HD# parsed_2m5l 1 41 1 1 . . . . . . . . . 8 . HA parsed_2m5l 1 41 1 2 . . . . . . . . . 11 . HG1 parsed_2m5l 1 42 1 1 . . . . . . . . . 8 . HD1# parsed_2m5l 1 42 1 2 . . . . . . . . . 11 . HD# parsed_2m5l 1 43 1 1 . . . . . . . . . 8 . HG2# parsed_2m5l 1 43 1 2 . . . . . . . . . 11 . HD# parsed_2m5l 1 44 1 1 . . . . . . . . . 8 . HA parsed_2m5l 1 44 1 2 . . . . . . . . . 11 . HN parsed_2m5l 1 45 1 1 . . . . . . . . . 8 . HD1# parsed_2m5l 1 45 1 2 . . . . . . . . . 14 . HD* parsed_2m5l 1 46 1 1 . . . . . . . . . 8 . HG2# parsed_2m5l 1 46 1 2 . . . . . . . . . 14 . HD* parsed_2m5l 1 47 1 1 . . . . . . . . . 8 . HD1# parsed_2m5l 1 47 1 2 . . . . . . . . . 14 . HE* parsed_2m5l 1 48 1 1 . . . . . . . . . 8 . HG2# parsed_2m5l 1 48 1 2 . . . . . . . . . 14 . HE* parsed_2m5l 1 49 1 1 . . . . . . . . . 8 . HD1# parsed_2m5l 1 49 1 2 . . . . . . . . . 15 . HD21 parsed_2m5l 1 50 1 1 . . . . . . . . . 8 . HG2# parsed_2m5l 1 50 1 2 . . . . . . . . . 15 . HD21 parsed_2m5l 1 51 1 1 . . . . . . . . . 9 . HN parsed_2m5l 1 51 1 2 . . . . . . . . . 10 . HN parsed_2m5l 1 52 1 1 . . . . . . . . . 9 . HA parsed_2m5l 1 52 1 2 . . . . . . . . . 10 . HN parsed_2m5l 1 53 1 1 . . . . . . . . . 9 . HB1 parsed_2m5l 1 53 1 2 . . . . . . . . . 10 . HN parsed_2m5l 1 54 1 1 . . . . . . . . . 9 . HB2 parsed_2m5l 1 54 1 2 . . . . . . . . . 10 . HN parsed_2m5l 1 55 1 1 . . . . . . . . . 9 . HH2 parsed_2m5l 1 55 1 2 . . . . . . . . . 10 . HA parsed_2m5l 1 56 1 1 . . . . . . . . . 9 . HH2 parsed_2m5l 1 56 1 2 . . . . . . . . . 10 . HB# parsed_2m5l 1 57 1 1 . . . . . . . . . 9 . HE3 parsed_2m5l 1 57 1 2 . . . . . . . . . 10 . HA parsed_2m5l 1 58 1 1 . . . . . . . . . 9 . HE3 parsed_2m5l 1 58 1 2 . . . . . . . . . 10 . HB# parsed_2m5l 1 59 1 1 . . . . . . . . . 9 . HZ3 parsed_2m5l 1 59 1 2 . . . . . . . . . 10 . HA parsed_2m5l 1 60 1 1 . . . . . . . . . 9 . HZ3 parsed_2m5l 1 60 1 2 . . . . . . . . . 10 . HB# parsed_2m5l 1 61 1 1 . . . . . . . . . 10 . HN parsed_2m5l 1 61 1 2 . . . . . . . . . 11 . HN parsed_2m5l 1 62 1 1 . . . . . . . . . 10 . HA parsed_2m5l 1 62 1 2 . . . . . . . . . 11 . HN parsed_2m5l 1 63 1 1 . . . . . . . . . 10 . HB# parsed_2m5l 1 63 1 2 . . . . . . . . . 11 . HN parsed_2m5l 1 64 1 1 . . . . . . . . . 10 . HB# parsed_2m5l 1 64 1 2 . . . . . . . . . 11 . HD# parsed_2m5l 1 65 1 1 . . . . . . . . . 11 . HN parsed_2m5l 1 65 1 2 . . . . . . . . . 12 . HD2 parsed_2m5l 1 66 1 1 . . . . . . . . . 11 . HN parsed_2m5l 1 66 1 2 . . . . . . . . . 12 . HG# parsed_2m5l 1 67 1 1 . . . . . . . . . 11 . HA parsed_2m5l 1 67 1 2 . . . . . . . . . 12 . HD1 parsed_2m5l 1 68 1 1 . . . . . . . . . 11 . HA parsed_2m5l 1 68 1 2 . . . . . . . . . 12 . HD2 parsed_2m5l 1 69 1 1 . . . . . . . . . 11 . HD# parsed_2m5l 1 69 1 2 . . . . . . . . . 14 . HD* parsed_2m5l 1 70 1 1 . . . . . . . . . 11 . HD# parsed_2m5l 1 70 1 2 . . . . . . . . . 14 . HE* parsed_2m5l 1 71 1 1 . . . . . . . . . 12 . HA parsed_2m5l 1 71 1 2 . . . . . . . . . 13 . HN parsed_2m5l 1 72 1 1 . . . . . . . . . 12 . HB1 parsed_2m5l 1 72 1 2 . . . . . . . . . 13 . HN parsed_2m5l 1 73 1 1 . . . . . . . . . 12 . HB2 parsed_2m5l 1 73 1 2 . . . . . . . . . 13 . HN parsed_2m5l 1 74 1 1 . . . . . . . . . 12 . HG# parsed_2m5l 1 74 1 2 . . . . . . . . . 13 . HN parsed_2m5l 1 75 1 1 . . . . . . . . . 12 . HD1 parsed_2m5l 1 75 1 2 . . . . . . . . . 13 . HN parsed_2m5l 1 76 1 1 . . . . . . . . . 12 . HD2 parsed_2m5l 1 76 1 2 . . . . . . . . . 13 . HN parsed_2m5l 1 77 1 1 . . . . . . . . . 13 . HN parsed_2m5l 1 77 1 2 . . . . . . . . . 14 . HN parsed_2m5l 1 78 1 1 . . . . . . . . . 13 . HB# parsed_2m5l 1 78 1 2 . . . . . . . . . 14 . HN parsed_2m5l 1 79 1 1 . . . . . . . . . 14 . HN parsed_2m5l 1 79 1 2 . . . . . . . . . 15 . HN parsed_2m5l 1 80 1 1 . . . . . . . . . 14 . HA parsed_2m5l 1 80 1 2 . . . . . . . . . 15 . HN parsed_2m5l 1 81 1 1 . . . . . . . . . 14 . HB1 parsed_2m5l 1 81 1 2 . . . . . . . . . 15 . HN parsed_2m5l 1 82 1 1 . . . . . . . . . 14 . HB2 parsed_2m5l 1 82 1 2 . . . . . . . . . 15 . HN parsed_2m5l 1 83 1 1 . . . . . . . . . 14 . HD* parsed_2m5l 1 83 1 2 . . . . . . . . . 15 . HN parsed_2m5l 1 84 1 1 . . . . . . . . . 14 . HD* parsed_2m5l 1 84 1 2 . . . . . . . . . 15 . HA parsed_2m5l 1 85 1 1 . . . . . . . . . 14 . HD* parsed_2m5l 1 85 1 2 . . . . . . . . . 15 . HB2 parsed_2m5l 1 86 1 1 . . . . . . . . . 14 . HD* parsed_2m5l 1 86 1 2 . . . . . . . . . 15 . HB1 parsed_2m5l 1 87 1 1 . . . . . . . . . 14 . HE* parsed_2m5l 1 87 1 2 . . . . . . . . . 15 . HN parsed_2m5l 1 88 1 1 . . . . . . . . . 14 . HD* parsed_2m5l 1 88 1 2 . . . . . . . . . 16 . HG# parsed_2m5l 1 89 1 1 . . . . . . . . . 14 . HD* parsed_2m5l 1 89 1 2 . . . . . . . . . 16 . HD1 parsed_2m5l 1 90 1 1 . . . . . . . . . 14 . HD* parsed_2m5l 1 90 1 2 . . . . . . . . . 16 . HD2 parsed_2m5l 1 91 1 1 . . . . . . . . . 14 . HE* parsed_2m5l 1 91 1 2 . . . . . . . . . 16 . HG# parsed_2m5l 1 92 1 1 . . . . . . . . . 14 . HE* parsed_2m5l 1 92 1 2 . . . . . . . . . 16 . HD2 parsed_2m5l 1 93 1 1 . . . . . . . . . 14 . HD* parsed_2m5l 1 93 1 2 . . . . . . . . . 17 . HB1 parsed_2m5l 1 94 1 1 . . . . . . . . . 14 . HD* parsed_2m5l 1 94 1 2 . . . . . . . . . 17 . HB2 parsed_2m5l 1 95 1 1 . . . . . . . . . 14 . HD* parsed_2m5l 1 95 1 2 . . . . . . . . . 17 . HG# parsed_2m5l 1 96 1 1 . . . . . . . . . 14 . HE* parsed_2m5l 1 96 1 2 . . . . . . . . . 17 . HB1 parsed_2m5l 1 97 1 1 . . . . . . . . . 14 . HE* parsed_2m5l 1 97 1 2 . . . . . . . . . 17 . HG# parsed_2m5l 1 98 1 1 . . . . . . . . . 14 . HE* parsed_2m5l 1 98 1 2 . . . . . . . . . 17 . HD1 parsed_2m5l 1 99 1 1 . . . . . . . . . 14 . HE* parsed_2m5l 1 99 1 2 . . . . . . . . . 17 . HD2 parsed_2m5l 1 100 1 1 . . . . . . . . . 15 . HN parsed_2m5l 1 100 1 2 . . . . . . . . . 16 . HD1 parsed_2m5l 1 101 1 1 . . . . . . . . . 15 . HN parsed_2m5l 1 101 1 2 . . . . . . . . . 16 . HD2 parsed_2m5l 1 102 1 1 . . . . . . . . . 15 . HA parsed_2m5l 1 102 1 2 . . . . . . . . . 16 . HG# parsed_2m5l 1 103 1 1 . . . . . . . . . 15 . HA parsed_2m5l 1 103 1 2 . . . . . . . . . 16 . HD1 parsed_2m5l 1 104 1 1 . . . . . . . . . 15 . HA parsed_2m5l 1 104 1 2 . . . . . . . . . 16 . HD2 parsed_2m5l 1 105 1 1 . . . . . . . . . 15 . HB1 parsed_2m5l 1 105 1 2 . . . . . . . . . 16 . HD1 parsed_2m5l 1 106 1 1 . . . . . . . . . 15 . HB1 parsed_2m5l 1 106 1 2 . . . . . . . . . 16 . HD2 parsed_2m5l 1 107 1 1 . . . . . . . . . 15 . HB2 parsed_2m5l 1 107 1 2 . . . . . . . . . 16 . HD2 parsed_2m5l 1 108 1 1 . . . . . . . . . 16 . HA parsed_2m5l 1 108 1 2 . . . . . . . . . 17 . HD1 parsed_2m5l 1 109 1 1 . . . . . . . . . 16 . HA parsed_2m5l 1 109 1 2 . . . . . . . . . 17 . HD2 parsed_2m5l 1 110 1 1 . . . . . . . . . 17 . HA parsed_2m5l 1 110 1 2 . . . . . . . . . 18 . HN parsed_2m5l 1 111 1 1 . . . . . . . . . 17 . HB1 parsed_2m5l 1 111 1 2 . . . . . . . . . 18 . HN parsed_2m5l 1 112 1 1 . . . . . . . . . 17 . HB2 parsed_2m5l 1 112 1 2 . . . . . . . . . 18 . HN parsed_2m5l 1 113 1 1 . . . . . . . . . 17 . HG# parsed_2m5l 1 113 1 2 . . . . . . . . . 18 . HN parsed_2m5l 1 114 1 1 . . . . . . . . . 17 . HD1 parsed_2m5l 1 114 1 2 . . . . . . . . . 18 . HN parsed_2m5l 1 115 1 1 . . . . . . . . . 17 . HD2 parsed_2m5l 1 115 1 2 . . . . . . . . . 18 . HN parsed_2m5l 1 116 1 1 . . . . . . . . . 18 . HA parsed_2m5l 1 116 1 2 . . . . . . . . . 19 . HN parsed_2m5l 1 117 1 1 . . . . . . . . . 19 . HN parsed_2m5l 1 117 1 2 . . . . . . . . . 20 . HN parsed_2m5l 1 118 1 1 . . . . . . . . . 19 . HA parsed_2m5l 1 118 1 2 . . . . . . . . . 20 . HN parsed_2m5l 1 119 1 1 . . . . . . . . . 19 . HB# parsed_2m5l 1 119 1 2 . . . . . . . . . 20 . HN parsed_2m5l 1 120 1 1 . . . . . . . . . 19 . HD1# parsed_2m5l 1 120 1 2 . . . . . . . . . 20 . HN parsed_2m5l 1 121 1 1 . . . . . . . . . 19 . HD2# parsed_2m5l 1 121 1 2 . . . . . . . . . 20 . HN parsed_2m5l 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 . . . . . 5.0 1.8 5.5 parsed_2m5l 1 2 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1 3 1 . . . . . 5.0 1.8 6.5 parsed_2m5l 1 4 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1 5 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1 6 1 . . . . . 3.9 1.8 5.3 parsed_2m5l 1 7 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1 8 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1 9 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1 10 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1 11 1 . . . . . 5.0 1.8 6.5 parsed_2m5l 1 12 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1 13 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1 14 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1 15 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1 16 1 . . . . . 5.0 1.8 6.5 parsed_2m5l 1 17 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1 18 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1 19 1 . . . . . 3.9 1.8 4.3 parsed_2m5l 1 20 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1 21 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1 22 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1 23 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1 24 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1 25 1 . . . . . 3.9 1.8 4.3 parsed_2m5l 1 26 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1 27 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1 28 1 . . . . . 3.9 1.8 4.3 parsed_2m5l 1 29 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1 30 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1 31 1 . . . . . 5.0 1.8 6.5 parsed_2m5l 1 32 1 . . . . . 5.0 1.8 6.5 parsed_2m5l 1 33 1 . . . . . 3.9 1.8 4.3 parsed_2m5l 1 34 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1 35 1 . . . . . 5.0 1.8 6.5 parsed_2m5l 1 36 1 . . . . . 5.0 1.8 6.5 parsed_2m5l 1 37 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1 38 1 . . . . . 5.0 1.8 6.5 parsed_2m5l 1 39 1 . . . . . 5.0 1.8 6.5 parsed_2m5l 1 40 1 . . . . . 3.9 1.8 5.3 parsed_2m5l 1 41 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1 42 1 . . . . . 5.0 1.8 7.5 parsed_2m5l 1 43 1 . . . . . 5.0 1.8 7.5 parsed_2m5l 1 44 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1 45 1 . . . . . 5.0 1.8 8.5 parsed_2m5l 1 46 1 . . . . . 5.0 1.8 8.5 parsed_2m5l 1 47 1 . . . . . 5.0 1.8 8.5 parsed_2m5l 1 48 1 . . . . . 5.0 1.8 8.5 parsed_2m5l 1 49 1 . . . . . 5.0 1.8 6.5 parsed_2m5l 1 50 1 . . . . . 5.0 1.8 6.5 parsed_2m5l 1 51 1 . . . . . 3.9 1.8 4.3 parsed_2m5l 1 52 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1 53 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1 54 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1 55 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1 56 1 . . . . . 2.8 1.8 4.1 parsed_2m5l 1 57 1 . . . . . 3.9 1.8 4.3 parsed_2m5l 1 58 1 . . . . . 2.8 1.8 4.1 parsed_2m5l 1 59 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1 60 1 . . . . . 3.9 1.8 4.3 parsed_2m5l 1 61 1 . . . . . 3.9 1.8 4.3 parsed_2m5l 1 62 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1 63 1 . . . . . 3.9 1.8 5.3 parsed_2m5l 1 64 1 . . . . . 5.0 1.8 7.5 parsed_2m5l 1 65 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1 66 1 . . . . . 5.0 1.8 6.5 parsed_2m5l 1 67 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1 68 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1 69 1 . . . . . 5.0 1.8 8.5 parsed_2m5l 1 70 1 . . . . . 5.0 1.8 8.5 parsed_2m5l 1 71 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1 72 1 . . . . . 3.9 1.8 4.3 parsed_2m5l 1 73 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1 74 1 . . . . . 3.9 1.8 5.3 parsed_2m5l 1 75 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1 76 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1 77 1 . . . . . 3.9 1.8 4.3 parsed_2m5l 1 78 1 . . . . . 3.9 1.8 5.3 parsed_2m5l 1 79 1 . . . . . 3.9 1.8 4.3 parsed_2m5l 1 80 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1 81 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1 82 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1 83 1 . . . . . 5.0 1.8 7.5 parsed_2m5l 1 84 1 . . . . . 5.0 1.8 7.5 parsed_2m5l 1 85 1 . . . . . 5.0 1.8 7.5 parsed_2m5l 1 86 1 . . . . . 5.0 1.8 7.5 parsed_2m5l 1 87 1 . . . . . 5.0 1.8 7.5 parsed_2m5l 1 88 1 . . . . . 5.0 1.8 8.5 parsed_2m5l 1 89 1 . . . . . 5.0 1.8 7.5 parsed_2m5l 1 90 1 . . . . . 5.0 1.8 7.5 parsed_2m5l 1 91 1 . . . . . 5.0 1.8 8.5 parsed_2m5l 1 92 1 . . . . . 5.0 1.8 7.5 parsed_2m5l 1 93 1 . . . . . 5.0 1.8 7.5 parsed_2m5l 1 94 1 . . . . . 5.0 1.8 7.5 parsed_2m5l 1 95 1 . . . . . 5.0 1.8 8.5 parsed_2m5l 1 96 1 . . . . . 3.9 1.8 6.3 parsed_2m5l 1 97 1 . . . . . 5.0 1.8 8.5 parsed_2m5l 1 98 1 . . . . . 5.0 1.8 7.5 parsed_2m5l 1 99 1 . . . . . 5.0 1.8 7.5 parsed_2m5l 1 100 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1 101 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1 102 1 . . . . . 5.0 1.8 6.5 parsed_2m5l 1 103 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1 104 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1 105 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1 106 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1 107 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1 108 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1 109 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1 110 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1 111 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1 112 1 . . . . . 3.9 1.8 4.3 parsed_2m5l 1 113 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1 114 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1 115 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1 116 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1 117 1 . . . . . 3.9 1.8 4.3 parsed_2m5l 1 118 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1 119 1 . . . . . 3.9 1.8 5.3 parsed_2m5l 1 120 1 . . . . . 5.0 1.8 6.5 parsed_2m5l 1 121 1 . . . . . 5.0 1.8 6.5 parsed_2m5l 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 ; ============================================================================ > RESTRAINTS FROM ns5aWT308_noe_iniSeq.txt > SEQUENCE KFPRAMPIWARPDYNPPLLE > DISTANCE RESTRAINTS class | [lower limit, upper limits[ | distance restraint --------+-------------------------------+--------------------- weak | 1 , 3 | 5.0 medium | 4 , 5 | 3.9 strong | 6 , 9 | 2.8 > CORRECTION FACTOR FOR PSEUDO-ATOMS -CH2 = +1.0 A (ex.: HB# in F) -Haromatic = +2.0 A (ex.: HD* in Y) -CH3# = +1.0 A (ex.: HG2# in I) -CH3* = +2.4 A (ex.: HD* in L) ============================================================================ <========== K1 ==========> <========== F2 ==========> ; 1 1 20 29 parsed_2m5l 1 2 "<========== P3 ==========>" 27 1 27 29 parsed_2m5l 1 3 "<========== R4 ==========>" 30 1 30 29 parsed_2m5l 1 4 "<========== A5 ==========>" 32 1 32 29 parsed_2m5l 1 5 "<========== M6 ==========>" 35 1 35 29 parsed_2m5l 1 6 "<========== P7 ==========>" 41 1 41 29 parsed_2m5l 1 7 "<========== I8 ==========>" 52 1 52 29 parsed_2m5l 1 8 "<========== W9 ==========>" 79 1 79 29 parsed_2m5l 1 9 "<========== A10 ==========>" 90 1 90 30 parsed_2m5l 1 10 "<========== R11 ==========>" 95 1 95 30 parsed_2m5l 1 11 "<========== P12 ==========>" 103 1 103 30 parsed_2m5l 1 12 "<========== D13 ==========>" 110 1 110 30 parsed_2m5l 1 13 "<========== Y14 ==========>" 113 1 113 30 parsed_2m5l 1 14 "<========== N15 ==========>" 137 1 137 30 parsed_2m5l 1 15 "<========== P16 ==========>" 146 1 146 30 parsed_2m5l 1 16 "<========== P17 ==========>" 149 1 149 30 parsed_2m5l 1 17 "<========== L18 ==========>" 156 1 156 30 parsed_2m5l 1 18 "<========== L19 ==========>" 158 1 158 30 parsed_2m5l 1 19 "<========== E20 ==========>!" 164 1 164 31 parsed_2m5l 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_2m5l _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.1 -23.1 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2m5l 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.4 186.4 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_2m5l 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.3 -20.3 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2m5l 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.0 18.0 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_2m5l 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.7 -62.7 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2m5l 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -31.8 48.2 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_2m5l 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.6 -8.6 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2m5l 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 76.9 216.9 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_2m5l 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.5 -39.9 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2m5l 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.7 183.7 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2m5l 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.3 -46.3 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2m5l 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.0 36.0 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2m5l 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.8 -13.8 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2m5l 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93.4 173.4 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2m5l 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.4 -46.4 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2m5l 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.1 176.1 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2m5l 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.7 -29.7 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2m5l 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.0 193.0 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2m5l 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.4 -31.4 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2m5l 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.9 190.9 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2m5l 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 ; Angles Phi et Psi pour une helice: Phi assign (resid 1 and name C )(resid 2 and name N ) (resid 2 and name CA)(resid 2 and name C ) 1.0 -57.0 30.0 2 Psi assign (resid 2 and name N )(resid 2 and name CA) (resid 2 and name C )(resid 3 and name N ) 1.0 -47.0 30.0 2 ; 4 1 12 2 parsed_2m5l 1 stop_ loop_ _TA_constraint_parse_err.ID _TA_constraint_parse_err.Content _TA_constraint_parse_err.Begin_line _TA_constraint_parse_err.Begin_column _TA_constraint_parse_err.End_line _TA_constraint_parse_err.End_column _TA_constraint_parse_err.Entry_ID _TA_constraint_parse_err.Torsion_angle_constraint_list_ID 1 ; restraints dihedral reset ! nassign= 2000 ; 1 1 3 14 parsed_2m5l 1 2 end 54 1 54 3 parsed_2m5l 1 stop_ save_
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