NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
619744 |
5jpx   |
30075 | cing | 2-parsed | STAR | dihedral angle | 58 |
data_5jpx_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5jpx
_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_5jpx 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5jpx
_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 5jpx "Master copy" parsed_5jpx
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5jpx
_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 5jpx.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5jpx 1
1 5jpx.mr . . XPLOR/CNS 2 distance NOE simple 710 parsed_5jpx 1
1 5jpx.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 58 parsed_5jpx 1
1 5jpx.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5jpx 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5jpx
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.6 -74.8 . . 90 . C . 91 . N . 91 . CA . 91 . C parsed_5jpx 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.2 170.4 . . 91 . N . 91 . CA . 91 . C . 92 . N parsed_5jpx 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.8 -36.0 . . 91 . C . 92 . N . 92 . CA . 92 . C parsed_5jpx 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.5 143.3 . . 92 . N . 92 . CA . 92 . C . 93 . N parsed_5jpx 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.0 -44.0 . . 92 . C . 93 . N . 93 . CA . 93 . C parsed_5jpx 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.9 10.1 . . 93 . N . 93 . CA . 93 . C . 94 . N parsed_5jpx 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.0 -35.4 . . 93 . C . 94 . N . 94 . CA . 94 . C parsed_5jpx 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.6 -1.0 . . 94 . N . 94 . CA . 94 . C . 95 . N parsed_5jpx 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.3 -62.9 . . 94 . C . 95 . N . 95 . CA . 95 . C parsed_5jpx 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.6 4.2 . . 95 . N . 95 . CA . 95 . C . 96 . N parsed_5jpx 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 44.4 100.2 . . 95 . C . 96 . N . 96 . CA . 96 . C parsed_5jpx 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -9.5 73.5 . . 96 . N . 96 . CA . 96 . C . 97 . N parsed_5jpx 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -167.0 -58.6 . . 96 . C . 97 . N . 97 . CA . 97 . C parsed_5jpx 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.8 186.4 . . 97 . N . 97 . CA . 97 . C . 98 . N parsed_5jpx 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -213.0 62.6 . . 98 . C . 99 . N . 99 . CA . 99 . C parsed_5jpx 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 58.3 184.9 . . 99 . N . 99 . CA . 99 . C . 100 . N parsed_5jpx 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -184.9 -74.5 . . 99 . C . 100 . N . 100 . CA . 100 . C parsed_5jpx 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.5 183.3 . . 100 . N . 100 . CA . 100 . C . 101 . N parsed_5jpx 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.4 -106.0 . . 100 . C . 101 . N . 101 . CA . 101 . C parsed_5jpx 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.3 175.1 . . 101 . N . 101 . CA . 101 . C . 102 . N parsed_5jpx 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -78.6 . . 101 . C . 102 . N . 102 . CA . 102 . C parsed_5jpx 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.5 159.1 . . 102 . N . 102 . CA . 102 . C . 103 . N parsed_5jpx 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.8 -51.2 . . 102 . C . 103 . N . 103 . CA . 103 . C parsed_5jpx 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 73.5 146.9 . . 103 . N . 103 . CA . 103 . C . 104 . N parsed_5jpx 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.9 -45.9 . . 103 . C . 104 . N . 104 . CA . 104 . C parsed_5jpx 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.2 -6.0 . . 104 . N . 104 . CA . 104 . C . 105 . N parsed_5jpx 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.3 -47.7 . . 104 . C . 105 . N . 105 . CA . 105 . C parsed_5jpx 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.6 9.2 . . 105 . N . 105 . CA . 105 . C . 106 . N parsed_5jpx 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.0 -64.6 . . 105 . C . 106 . N . 106 . CA . 106 . C parsed_5jpx 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.9 29.9 . . 106 . N . 106 . CA . 106 . C . 107 . N parsed_5jpx 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39.9 106.7 . . 106 . C . 107 . N . 107 . CA . 107 . C parsed_5jpx 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -24.4 84.0 . . 107 . N . 107 . CA . 107 . C . 108 . N parsed_5jpx 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.6 -87.0 . . 107 . C . 108 . N . 108 . CA . 108 . C parsed_5jpx 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.1 194.1 . . 108 . N . 108 . CA . 108 . C . 109 . N parsed_5jpx 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.8 -58.4 . . 108 . C . 109 . N . 109 . CA . 109 . C parsed_5jpx 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.5 164.3 . . 109 . N . 109 . CA . 109 . C . 110 . N parsed_5jpx 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.6 -70.0 . . 109 . C . 110 . N . 110 . CA . 110 . C parsed_5jpx 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.8 181.6 . . 110 . N . 110 . CA . 110 . C . 111 . N parsed_5jpx 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.6 -98.2 . . 110 . C . 111 . N . 111 . CA . 111 . C parsed_5jpx 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 132.6 187.8 . . 111 . N . 111 . CA . 111 . C . 112 . N parsed_5jpx 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.6 -48.0 . . 112 . C . 113 . N . 113 . CA . 113 . C parsed_5jpx 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.3 -24.7 . . 113 . N . 113 . CA . 113 . C . 114 . N parsed_5jpx 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.6 -47.0 . . 113 . C . 114 . N . 114 . CA . 114 . C parsed_5jpx 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -12.6 . . 114 . N . 114 . CA . 114 . C . 115 . N parsed_5jpx 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.7 -51.5 . . 114 . C . 115 . N . 115 . CA . 115 . C parsed_5jpx 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.0 21.2 . . 115 . N . 115 . CA . 115 . C . 116 . N parsed_5jpx 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.6 -76.0 . . 115 . C . 116 . N . 116 . CA . 116 . C parsed_5jpx 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.5 36.7 . . 116 . N . 116 . CA . 116 . C . 117 . N parsed_5jpx 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.0 -12.6 . . 116 . C . 117 . N . 117 . CA . 117 . C parsed_5jpx 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.0 191.8 . . 117 . N . 117 . CA . 117 . C . 118 . N parsed_5jpx 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -252.0 65.8 . . 123 . C . 124 . N . 124 . CA . 124 . C parsed_5jpx 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 61.8 193.8 . . 124 . N . 124 . CA . 124 . C . 125 . N parsed_5jpx 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.1 -67.9 . . 124 . C . 125 . N . 125 . CA . 125 . C parsed_5jpx 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.8 192.6 . . 125 . N . 125 . CA . 125 . C . 126 . N parsed_5jpx 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.9 -80.7 . . 125 . C . 126 . N . 126 . CA . 126 . C parsed_5jpx 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 59.7 210.1 . . 126 . N . 126 . CA . 126 . C . 127 . N parsed_5jpx 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.4 -43.8 . . 127 . C . 128 . N . 128 . CA . 128 . C parsed_5jpx 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.3 172.9 . . 128 . N . 128 . CA . 128 . C . 129 . N parsed_5jpx 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 file 2: TRIM21_Bbox2_dihedralAngles_constraints_86_130" 1 1 1 67 parsed_5jpx 1
stop_
save_
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