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 |
|
|
620901 |
5w3n   |
30304 | cing | 2-parsed | STAR | dihedral angle | 51 |
data_5w3n_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5w3n
_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_5w3n 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5w3n
_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 5w3n "Master copy" parsed_5w3n
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5w3n
_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 5w3n.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5w3n 1
1 5w3n.mr . . XPLOR/CNS 2 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_5w3n 1
1 5w3n.mr . . XPLOR/CNS 3 distance NOE simple 88 parsed_5w3n 1
1 5w3n.mr . . XPLOR/CNS 4 distance NOE ambi 52 parsed_5w3n 1
1 5w3n.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 51 parsed_5w3n 1
1 5w3n.mr . . XPLOR/CNS 6 distance NOE simple 0 parsed_5w3n 1
1 5w3n.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_5w3n 1
1 5w3n.mr . . XPLOR/CNS 8 distance NOE ambi 0 parsed_5w3n 1
1 5w3n.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5w3n 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5w3n
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.4 -55.6 . A5 43 . C A5 44 . N A5 44 . CA A5 44 . C parsed_5w3n 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.3 160.5 . A5 44 . N A5 44 . CA A5 44 . C A5 45 . N parsed_5w3n 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.6 -75.2 . A5 44 . C A5 45 . N A5 45 . CA A5 45 . C parsed_5w3n 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.4 154.0 . A5 45 . N A5 45 . CA A5 45 . C A5 46 . N parsed_5w3n 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.9 -66.7 . A5 45 . C A5 46 . N A5 46 . CA A5 46 . C parsed_5w3n 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 83.6 164.0 . A5 46 . N A5 46 . CA A5 46 . C A5 47 . N parsed_5w3n 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.2 -22.6 . A5 47 . C A5 48 . N A5 48 . CA A5 48 . C parsed_5w3n 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 42.1 111.7 . A5 48 . C A5 49 . N A5 49 . CA A5 49 . C parsed_5w3n 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -31.1 69.7 . A5 49 . N A5 49 . CA A5 49 . C A5 50 . N parsed_5w3n 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -188.5 -51.7 . A5 52 . C A5 53 . N A5 53 . CA A5 53 . C parsed_5w3n 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.4 195.8 . A5 53 . N A5 53 . CA A5 53 . C A5 54 . N parsed_5w3n 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -182.5 -101.9 . A5 53 . C A5 54 . N A5 54 . CA A5 54 . C parsed_5w3n 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.7 188.9 . A5 54 . N A5 54 . CA A5 54 . C A5 55 . N parsed_5w3n 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -56.4 . A5 62 . C A5 63 . N A5 63 . CA A5 63 . C parsed_5w3n 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.3 156.9 . A5 63 . N A5 63 . CA A5 63 . C A5 64 . N parsed_5w3n 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.9 -63.9 . A5 63 . C A5 64 . N A5 64 . CA A5 64 . C parsed_5w3n 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88.9 172.1 . A5 64 . N A5 64 . CA A5 64 . C A5 65 . N parsed_5w3n 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.3 -40.9 . A5 64 . C A5 65 . N A5 65 . CA A5 65 . C parsed_5w3n 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.5 197.7 . A5 65 . N A5 65 . CA A5 65 . C A5 66 . N parsed_5w3n 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.5 -29.7 . A5 65 . C A5 66 . N A5 66 . CA A5 66 . C parsed_5w3n 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 43.1 117.1 . A5 66 . C A5 67 . N A5 67 . CA A5 67 . C parsed_5w3n 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.1 -49.5 . A5 67 . C A5 68 . N A5 68 . CA A5 68 . C parsed_5w3n 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.6 170.2 . A5 68 . N A5 68 . CA A5 68 . C A5 69 . N parsed_5w3n 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168.2 -85.2 . A5 68 . C A5 69 . N A5 69 . CA A5 69 . C parsed_5w3n 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.3 184.7 . A5 69 . N A5 69 . CA A5 69 . C A5 70 . N parsed_5w3n 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.3 -62.7 . A5 69 . C A5 70 . N A5 70 . CA A5 70 . C parsed_5w3n 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.1 178.1 . A5 70 . N A5 70 . CA A5 70 . C A5 71 . N parsed_5w3n 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -34.8 . A5 70 . C A5 71 . N A5 71 . CA A5 71 . C parsed_5w3n 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.7 183.1 . A5 71 . N A5 71 . CA A5 71 . C A5 72 . N parsed_5w3n 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.2 -32.4 . A5 71 . C A5 72 . N A5 72 . CA A5 72 . C parsed_5w3n 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.8 180.8 . A5 72 . N A5 72 . CA A5 72 . C A5 73 . N parsed_5w3n 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178.5 -57.7 . A5 72 . C A5 73 . N A5 73 . CA A5 73 . C parsed_5w3n 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.6 200.4 . A5 73 . N A5 73 . CA A5 73 . C A5 74 . N parsed_5w3n 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.3 -64.5 . A5 77 . C A5 78 . N A5 78 . CA A5 78 . C parsed_5w3n 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.6 167.0 . A5 78 . N A5 78 . CA A5 78 . C A5 79 . N parsed_5w3n 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.9 -34.1 . A5 80 . C A5 81 . N A5 81 . CA A5 81 . C parsed_5w3n 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -167.9 -82.1 . A5 83 . C A5 84 . N A5 84 . CA A5 84 . C parsed_5w3n 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.2 -99.6 . A5 85 . C A5 86 . N A5 86 . CA A5 86 . C parsed_5w3n 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.8 183.4 . A5 86 . N A5 86 . CA A5 86 . C A5 87 . N parsed_5w3n 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -215.2 -70.0 . A5 86 . C A5 87 . N A5 87 . CA A5 87 . C parsed_5w3n 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.4 193.2 . A5 87 . N A5 87 . CA A5 87 . C A5 88 . N parsed_5w3n 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -85.4 . A5 88 . C A5 89 . N A5 89 . CA A5 89 . C parsed_5w3n 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.4 187.6 . A5 89 . N A5 89 . CA A5 89 . C A5 90 . N parsed_5w3n 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.6 -69.8 . A5 89 . C A5 90 . N A5 90 . CA A5 90 . C parsed_5w3n 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.8 193.6 . A5 90 . N A5 90 . CA A5 90 . C A5 91 . N parsed_5w3n 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.0 -35.6 . A5 92 . C A5 93 . N A5 93 . CA A5 93 . C parsed_5w3n 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.6 174.4 . A5 93 . N A5 93 . CA A5 93 . C A5 94 . N parsed_5w3n 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168.5 -86.9 . A5 93 . C A5 94 . N A5 94 . CA A5 94 . C parsed_5w3n 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.9 185.7 . A5 94 . N A5 94 . CA A5 94 . C A5 95 . N parsed_5w3n 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.8 -37.6 . A5 94 . C A5 95 . N A5 95 . CA A5 95 . C parsed_5w3n 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.5 196.3 . A5 95 . N A5 95 . CA A5 95 . C A5 96 . N parsed_5w3n 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 4: fus_TALOSN.tbl" 1 1 1 35 parsed_5w3n 1
stop_
save_
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