NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
32393 |
1fzx   |
cing | 2-parsed | STAR | dipolar coupling | 94 |
data_1fzx_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1fzx
_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_1fzx 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1fzx
_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 1fzx "Master copy" parsed_1fzx
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1fzx
_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 1fzx.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1fzx 1
1 1fzx.mr . . XPLOR/CNS 2 distance NOE simple 220 parsed_1fzx 1
1 1fzx.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 30 parsed_1fzx 1
1 1fzx.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 90 parsed_1fzx 1
1 1fzx.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 94 parsed_1fzx 1
1 1fzx.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1fzx 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_1fzx
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 5
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint.ID
_RDC_constraint.Assembly_atom_ID_1
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Seq_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Resonance_ID_1
_RDC_constraint.Assembly_atom_ID_2
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Seq_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.Resonance_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.Source_experiment_ID
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 . . . . . . . . . . . . . . . . 15.19 . . . . . 1 . C1' . 1 . H1' parsed_1fzx 1
2 . . . . . . . . . . . . . . . . 19.20 . . . . . 2 . C1' . 2 . H1' parsed_1fzx 1
3 . . . . . . . . . . . . . . . . 10.20 . . . . . 3 . C1' . 3 . H1' parsed_1fzx 1
4 . . . . . . . . . . . . . . . . 25.72 . . . . . 4 . C1' . 4 . H1' parsed_1fzx 1
5 . . . . . . . . . . . . . . . . 24.70 . . . . . 5 . C1' . 5 . H1' parsed_1fzx 1
6 . . . . . . . . . . . . . . . . 25.20 . . . . . 6 . C1' . 6 . H1' parsed_1fzx 1
7 . . . . . . . . . . . . . . . . 23.71 . . . . . 7 . C1' . 7 . H1' parsed_1fzx 1
8 . . . . . . . . . . . . . . . . 19.05 . . . . . 8 . C1' . 8 . H1' parsed_1fzx 1
9 . . . . . . . . . . . . . . . . 24.30 . . . . . 9 . C1' . 9 . H1' parsed_1fzx 1
10 . . . . . . . . . . . . . . . . 19.54 . . . . . 10 . C1' . 10 . H1' parsed_1fzx 1
11 . . . . . . . . . . . . . . . . 11.53 . . . . . 11 . C1' . 11 . H1' parsed_1fzx 1
12 . . . . . . . . . . . . . . . . 16.21 . . . . . 12 . C1' . 12 . H1' parsed_1fzx 1
13 . . . . . . . . . . . . . . . . -3.15 . . . . . 13 . C1' . 13 . H1' parsed_1fzx 1
14 . . . . . . . . . . . . . . . . 11.08 . . . . . 14 . C1' . 14 . H1' parsed_1fzx 1
15 . . . . . . . . . . . . . . . . 17.90 . . . . . 15 . C1' . 15 . H1' parsed_1fzx 1
16 . . . . . . . . . . . . . . . . 14.36 . . . . . 16 . C1' . 16 . H1' parsed_1fzx 1
17 . . . . . . . . . . . . . . . . 20.11 . . . . . 17 . C1' . 17 . H1' parsed_1fzx 1
18 . . . . . . . . . . . . . . . . 24.50 . . . . . 18 . C1' . 18 . H1' parsed_1fzx 1
19 . . . . . . . . . . . . . . . . 22.70 . . . . . 19 . C1' . 19 . H1' parsed_1fzx 1
20 . . . . . . . . . . . . . . . . 24.38 . . . . . 20 . C1' . 20 . H1' parsed_1fzx 1
21 . . . . . . . . . . . . . . . . 17.15 . . . . . 21 . C1' . 21 . H1' parsed_1fzx 1
22 . . . . . . . . . . . . . . . . 12.84 . . . . . 22 . C1' . 22 . H1' parsed_1fzx 1
23 . . . . . . . . . . . . . . . . 10.90 . . . . . 23 . C1' . 23 . H1' parsed_1fzx 1
24 . . . . . . . . . . . . . . . . 10.05 . . . . . 24 . C1' . 24 . H1' parsed_1fzx 1
25 . . . . . . . . . . . . . . . . 6.16 . . . . . 1 . C3' . 1 . H3' parsed_1fzx 1
26 . . . . . . . . . . . . . . . . 7.27 . . . . . 3 . C3' . 3 . H3' parsed_1fzx 1
27 . . . . . . . . . . . . . . . . 23.30 . . . . . 7 . C3' . 7 . H3' parsed_1fzx 1
28 . . . . . . . . . . . . . . . . 23.30 . . . . . 8 . C3' . 8 . H3' parsed_1fzx 1
29 . . . . . . . . . . . . . . . . 22.00 . . . . . 9 . C3' . 9 . H3' parsed_1fzx 1
30 . . . . . . . . . . . . . . . . 21.00 . . . . . 10 . C3' . 10 . H3' parsed_1fzx 1
31 . . . . . . . . . . . . . . . . 20.00 . . . . . 11 . C3' . 11 . H3' parsed_1fzx 1
32 . . . . . . . . . . . . . . . . 10.70 . . . . . 12 . C3' . 12 . H3' parsed_1fzx 1
33 . . . . . . . . . . . . . . . . -8.90 . . . . . 13 . C3' . 13 . H3' parsed_1fzx 1
34 . . . . . . . . . . . . . . . . 8.80 . . . . . 14 . C3' . 14 . H3' parsed_1fzx 1
35 . . . . . . . . . . . . . . . . 14.30 . . . . . 15 . C3' . 15 . H3' parsed_1fzx 1
36 . . . . . . . . . . . . . . . . 13.00 . . . . . 16 . C3' . 16 . H3' parsed_1fzx 1
37 . . . . . . . . . . . . . . . . 20.00 . . . . . 17 . C3' . 17 . H3' parsed_1fzx 1
38 . . . . . . . . . . . . . . . . 18.30 . . . . . 18 . C3' . 18 . H3' parsed_1fzx 1
39 . . . . . . . . . . . . . . . . 18.30 . . . . . 19 . C3' . 19 . H3' parsed_1fzx 1
40 . . . . . . . . . . . . . . . . 20.00 . . . . . 20 . C3' . 20 . H3' parsed_1fzx 1
41 . . . . . . . . . . . . . . . . 24.20 . . . . . 21 . C3' . 21 . H3' parsed_1fzx 1
42 . . . . . . . . . . . . . . . . 14.40 . . . . . 23 . C3' . 23 . H3' parsed_1fzx 1
43 . . . . . . . . . . . . . . . . 9.26 . . . . . 24 . C3' . 24 . H3' parsed_1fzx 1
44 . . . . . . . . . . . . . . . . 6.55 . . . . . 1 . C4' . 1 . H4' parsed_1fzx 1
45 . . . . . . . . . . . . . . . . 5.14 . . . . . 3 . C4' . 3 . H4' parsed_1fzx 1
46 . . . . . . . . . . . . . . . . 1.90 . . . . . 9 . C4' . 9 . H4' parsed_1fzx 1
47 . . . . . . . . . . . . . . . . 16.57 . . . . . 10 . C4' . 10 . H4' parsed_1fzx 1
48 . . . . . . . . . . . . . . . . 23.30 . . . . . 11 . C4' . 11 . H4' parsed_1fzx 1
49 . . . . . . . . . . . . . . . . 17.20 . . . . . 12 . C4' . 12 . H4' parsed_1fzx 1
50 . . . . . . . . . . . . . . . . -7.86 . . . . . 13 . C4' . 13 . H4' parsed_1fzx 1
51 . . . . . . . . . . . . . . . . 3.47 . . . . . 14 . C4' . 14 . H4' parsed_1fzx 1
52 . . . . . . . . . . . . . . . . -3.80 . . . . . 15 . C4' . 15 . H4' parsed_1fzx 1
53 . . . . . . . . . . . . . . . . 19.22 . . . . . 21 . C4' . 21 . H4' parsed_1fzx 1
54 . . . . . . . . . . . . . . . . 15.72 . . . . . 24 . C4' . 24 . H4' parsed_1fzx 1
55 . . . . . . . . . . . . . . . . 23.04 . . . . . 1 . C8 . 1 . H8 parsed_1fzx 1
56 . . . . . . . . . . . . . . . . 25.24 . . . . . 2 . C8 . 2 . H8 parsed_1fzx 1
57 . . . . . . . . . . . . . . . . 25.31 . . . . . 3 . C6 . 3 . H6 parsed_1fzx 1
58 . . . . . . . . . . . . . . . . 29.58 . . . . . 4 . C8 . 4 . H8 parsed_1fzx 1
59 . . . . . . . . . . . . . . . . 29.32 . . . . . 5 . C8 . 5 . H8 parsed_1fzx 1
60 . . . . . . . . . . . . . . . . 28.38 . . . . . 6 . C8 . 6 . H8 parsed_1fzx 1
61 . . . . . . . . . . . . . . . . 29.00 . . . . . 7 . C8 . 7 . H8 parsed_1fzx 1
62 . . . . . . . . . . . . . . . . 29.00 . . . . . 8 . C8 . 8 . H8 parsed_1fzx 1
63 . . . . . . . . . . . . . . . . 29.00 . . . . . 9 . C8 . 9 . H8 parsed_1fzx 1
64 . . . . . . . . . . . . . . . . 26.26 . . . . . 10 . C6 . 10 . H6 parsed_1fzx 1
65 . . . . . . . . . . . . . . . . 21.80 . . . . . 11 . C8 . 11 . H8 parsed_1fzx 1
66 . . . . . . . . . . . . . . . . 22.28 . . . . . 12 . C8 . 12 . H8 parsed_1fzx 1
67 . . . . . . . . . . . . . . . . 27.10 . . . . . 4 . C2 . 4 . H2 parsed_1fzx 1
68 . . . . . . . . . . . . . . . . 29.17 . . . . . 5 . C2 . 5 . H2 parsed_1fzx 1
69 . . . . . . . . . . . . . . . . 28.50 . . . . . 6 . C2 . 6 . H2 parsed_1fzx 1
70 . . . . . . . . . . . . . . . . 28.30 . . . . . 7 . C2 . 7 . H2 parsed_1fzx 1
71 . . . . . . . . . . . . . . . . 27.50 . . . . . 8 . C2 . 8 . H2 parsed_1fzx 1
72 . . . . . . . . . . . . . . . . 28.00 . . . . . 9 . C2 . 9 . H2 parsed_1fzx 1
73 . . . . . . . . . . . . . . . . 18.47 . . . . . 13 . C6 . 13 . H6 parsed_1fzx 1
74 . . . . . . . . . . . . . . . . 19.45 . . . . . 14 . C6 . 14 . H6 parsed_1fzx 1
75 . . . . . . . . . . . . . . . . 22.62 . . . . . 15 . C8 . 15 . H8 parsed_1fzx 1
76 . . . . . . . . . . . . . . . . 25.21 . . . . . 16 . C6 . 16 . H6 parsed_1fzx 1
77 . . . . . . . . . . . . . . . . 22.30 . . . . . 17 . C6 . 17 . H6 parsed_1fzx 1
78 . . . . . . . . . . . . . . . . 22.30 . . . . . 18 . C6 . 18 . H6 parsed_1fzx 1
79 . . . . . . . . . . . . . . . . 22.30 . . . . . 19 . C6 . 19 . H6 parsed_1fzx 1
80 . . . . . . . . . . . . . . . . 22.30 . . . . . 20 . C6 . 20 . H6 parsed_1fzx 1
81 . . . . . . . . . . . . . . . . 26.91 . . . . . 21 . C6 . 21 . H6 parsed_1fzx 1
82 . . . . . . . . . . . . . . . . 25.85 . . . . . 22 . C8 . 22 . H8 parsed_1fzx 1
83 . . . . . . . . . . . . . . . . 18.51 . . . . . 23 . C6 . 23 . H6 parsed_1fzx 1
84 . . . . . . . . . . . . . . . . 11.63 . . . . . 24 . C6 . 24 . H6 parsed_1fzx 1
85 . . . . . . . . . . . . . . . . -8.39 . . . . . 2 . N1 . 2 . H1 parsed_1fzx 1
86 . . . . . . . . . . . . . . . . -7.61 . . . . . 11 . N1 . 11 . H1 parsed_1fzx 1
87 . . . . . . . . . . . . . . . . -8.78 . . . . . 15 . N1 . 15 . H1 parsed_1fzx 1
88 . . . . . . . . . . . . . . . . -8.85 . . . . . 16 . N3 . 16 . H3 parsed_1fzx 1
89 . . . . . . . . . . . . . . . . -8.61 . . . . . 17 . N3 . 17 . H3 parsed_1fzx 1
90 . . . . . . . . . . . . . . . . -7.45 . . . . . 18 . N3 . 18 . H3 parsed_1fzx 1
91 . . . . . . . . . . . . . . . . -6.91 . . . . . 19 . N3 . 19 . H3 parsed_1fzx 1
92 . . . . . . . . . . . . . . . . -8.41 . . . . . 20 . N3 . 20 . H3 parsed_1fzx 1
93 . . . . . . . . . . . . . . . . -9.53 . . . . . 21 . N3 . 21 . H3 parsed_1fzx 1
94 . . . . . . . . . . . . . . . . -8.06 . . . . . 22 . N1 . 22 . H1 parsed_1fzx 1
stop_
loop_
_RDC_constraint_comment_org.ID
_RDC_constraint_comment_org.Comment_text
_RDC_constraint_comment_org.Comment_begin_line
_RDC_constraint_comment_org.Comment_begin_column
_RDC_constraint_comment_org.Comment_end_line
_RDC_constraint_comment_org.Comment_end_column
_RDC_constraint_comment_org.Entry_ID
_RDC_constraint_comment_org.RDC_constraint_list_ID
1 "Residual Dipolar Couplings" 1 1 1 29 parsed_1fzx 1
stop_
save_
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