NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
37362 |
1pfj   |
4901 | cing | 2-parsed | STAR | dipolar coupling | 76 |
data_1pfj_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1pfj
_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_1pfj 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1pfj
_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 1pfj "Master copy" parsed_1pfj
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1pfj
_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 1pfj.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1pfj 1
1 1pfj.mr . . XPLOR/CNS 2 distance NOE simple 1247 parsed_1pfj 1
1 1pfj.mr . . XPLOR/CNS 3 distance NOE ambi 4 parsed_1pfj 1
1 1pfj.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 70 parsed_1pfj 1
1 1pfj.mr . . XPLOR/CNS 5 distance NOE simple 50 parsed_1pfj 1
1 1pfj.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 172 parsed_1pfj 1
1 1pfj.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 76 parsed_1pfj 1
1 1pfj.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1pfj 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_7
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_1pfj
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 7
_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 . . . . . . . . . . . . . . . . 1.34 . . . . . 2 . N . 2 . HN parsed_1pfj 1
2 . . . . . . . . . . . . . . . . 1.73 . . . . . 3 . N . 3 . HN parsed_1pfj 1
3 . . . . . . . . . . . . . . . . -0.95 . . . . . 4 . N . 4 . HN parsed_1pfj 1
4 . . . . . . . . . . . . . . . . 2.81 . . . . . 6 . N . 6 . HN parsed_1pfj 1
5 . . . . . . . . . . . . . . . . -2.47 . . . . . 7 . N . 7 . HN parsed_1pfj 1
6 . . . . . . . . . . . . . . . . -5.81 . . . . . 8 . N . 8 . HN parsed_1pfj 1
7 . . . . . . . . . . . . . . . . 12.20 . . . . . 9 . N . 9 . HN parsed_1pfj 1
8 . . . . . . . . . . . . . . . . 9.89 . . . . . 11 . N . 11 . HN parsed_1pfj 1
9 . . . . . . . . . . . . . . . . 8.12 . . . . . 12 . N . 12 . HN parsed_1pfj 1
10 . . . . . . . . . . . . . . . . 12.91 . . . . . 13 . N . 13 . HN parsed_1pfj 1
11 . . . . . . . . . . . . . . . . 3.32 . . . . . 14 . N . 14 . HN parsed_1pfj 1
12 . . . . . . . . . . . . . . . . -2.20 . . . . . 15 . N . 15 . HN parsed_1pfj 1
13 . . . . . . . . . . . . . . . . 2.51 . . . . . 16 . N . 16 . HN parsed_1pfj 1
14 . . . . . . . . . . . . . . . . 0.00 . . . . . 18 . N . 18 . HN parsed_1pfj 1
15 . . . . . . . . . . . . . . . . -8.82 . . . . . 20 . N . 20 . HN parsed_1pfj 1
16 . . . . . . . . . . . . . . . . -4.58 . . . . . 21 . N . 21 . HN parsed_1pfj 1
17 . . . . . . . . . . . . . . . . 4.04 . . . . . 22 . N . 22 . HN parsed_1pfj 1
18 . . . . . . . . . . . . . . . . 0.63 . . . . . 23 . N . 23 . HN parsed_1pfj 1
19 . . . . . . . . . . . . . . . . 3.52 . . . . . 24 . N . 24 . HN parsed_1pfj 1
20 . . . . . . . . . . . . . . . . 13.06 . . . . . 25 . N . 25 . HN parsed_1pfj 1
21 . . . . . . . . . . . . . . . . 8.07 . . . . . 26 . N . 26 . HN parsed_1pfj 1
22 . . . . . . . . . . . . . . . . 5.24 . . . . . 27 . N . 27 . HN parsed_1pfj 1
23 . . . . . . . . . . . . . . . . 0.83 . . . . . 29 . N . 29 . HN parsed_1pfj 1
24 . . . . . . . . . . . . . . . . 5.93 . . . . . 30 . N . 30 . HN parsed_1pfj 1
25 . . . . . . . . . . . . . . . . 6.65 . . . . . 31 . N . 31 . HN parsed_1pfj 1
26 . . . . . . . . . . . . . . . . 7.66 . . . . . 33 . N . 33 . HN parsed_1pfj 1
27 . . . . . . . . . . . . . . . . 8.26 . . . . . 34 . N . 34 . HN parsed_1pfj 1
28 . . . . . . . . . . . . . . . . -0.22 . . . . . 36 . N . 36 . HN parsed_1pfj 1
29 . . . . . . . . . . . . . . . . 8.01 . . . . . 39 . N . 39 . HN parsed_1pfj 1
30 . . . . . . . . . . . . . . . . -7.14 . . . . . 40 . N . 40 . HN parsed_1pfj 1
31 . . . . . . . . . . . . . . . . 9.42 . . . . . 43 . N . 43 . HN parsed_1pfj 1
32 . . . . . . . . . . . . . . . . 10.35 . . . . . 44 . N . 44 . HN parsed_1pfj 1
33 . . . . . . . . . . . . . . . . 15.37 . . . . . 46 . N . 46 . HN parsed_1pfj 1
34 . . . . . . . . . . . . . . . . 0.11 . . . . . 47 . N . 47 . HN parsed_1pfj 1
35 . . . . . . . . . . . . . . . . -0.05 . . . . . 48 . N . 48 . HN parsed_1pfj 1
36 . . . . . . . . . . . . . . . . 1.94 . . . . . 49 . N . 49 . HN parsed_1pfj 1
37 . . . . . . . . . . . . . . . . 8.36 . . . . . 50 . N . 50 . HN parsed_1pfj 1
38 . . . . . . . . . . . . . . . . -10.16 . . . . . 53 . N . 53 . HN parsed_1pfj 1
39 . . . . . . . . . . . . . . . . 9.49 . . . . . 59 . N . 59 . HN parsed_1pfj 1
40 . . . . . . . . . . . . . . . . 1.27 . . . . . 60 . N . 60 . HN parsed_1pfj 1
41 . . . . . . . . . . . . . . . . 1.86 . . . . . 61 . N . 61 . HN parsed_1pfj 1
42 . . . . . . . . . . . . . . . . 1.41 . . . . . 62 . N . 62 . HN parsed_1pfj 1
43 . . . . . . . . . . . . . . . . -5.02 . . . . . 63 . N . 63 . HN parsed_1pfj 1
44 . . . . . . . . . . . . . . . . 2.10 . . . . . 64 . N . 64 . HN parsed_1pfj 1
45 . . . . . . . . . . . . . . . . -4.48 . . . . . 67 . N . 67 . HN parsed_1pfj 1
46 . . . . . . . . . . . . . . . . -0.77 . . . . . 69 . N . 69 . HN parsed_1pfj 1
47 . . . . . . . . . . . . . . . . 0.79 . . . . . 71 . N . 71 . HN parsed_1pfj 1
48 . . . . . . . . . . . . . . . . 9.90 . . . . . 72 . N . 72 . HN parsed_1pfj 1
49 . . . . . . . . . . . . . . . . -7.79 . . . . . 73 . N . 73 . HN parsed_1pfj 1
50 . . . . . . . . . . . . . . . . 0.83 . . . . . 74 . N . 74 . HN parsed_1pfj 1
51 . . . . . . . . . . . . . . . . 0.31 . . . . . 75 . N . 75 . HN parsed_1pfj 1
52 . . . . . . . . . . . . . . . . 7.37 . . . . . 76 . N . 76 . HN parsed_1pfj 1
53 . . . . . . . . . . . . . . . . -0.35 . . . . . 77 . N . 77 . HN parsed_1pfj 1
54 . . . . . . . . . . . . . . . . 3.60 . . . . . 78 . N . 78 . HN parsed_1pfj 1
55 . . . . . . . . . . . . . . . . -0.78 . . . . . 79 . N . 79 . HN parsed_1pfj 1
56 . . . . . . . . . . . . . . . . -3.34 . . . . . 80 . N . 80 . HN parsed_1pfj 1
57 . . . . . . . . . . . . . . . . 4.33 . . . . . 83 . N . 83 . HN parsed_1pfj 1
58 . . . . . . . . . . . . . . . . 8.97 . . . . . 84 . N . 84 . HN parsed_1pfj 1
59 . . . . . . . . . . . . . . . . -5.68 . . . . . 85 . N . 85 . HN parsed_1pfj 1
60 . . . . . . . . . . . . . . . . 1.33 . . . . . 86 . N . 86 . HN parsed_1pfj 1
61 . . . . . . . . . . . . . . . . -10.87 . . . . . 88 . N . 88 . HN parsed_1pfj 1
62 . . . . . . . . . . . . . . . . -13.01 . . . . . 89 . N . 89 . HN parsed_1pfj 1
63 . . . . . . . . . . . . . . . . -13.64 . . . . . 90 . N . 90 . HN parsed_1pfj 1
64 . . . . . . . . . . . . . . . . -10.94 . . . . . 91 . N . 91 . HN parsed_1pfj 1
65 . . . . . . . . . . . . . . . . -12.54 . . . . . 92 . N . 92 . HN parsed_1pfj 1
66 . . . . . . . . . . . . . . . . -12.14 . . . . . 93 . N . 93 . HN parsed_1pfj 1
67 . . . . . . . . . . . . . . . . -10.17 . . . . . 95 . N . 95 . HN parsed_1pfj 1
68 . . . . . . . . . . . . . . . . -15.90 . . . . . 96 . N . 96 . HN parsed_1pfj 1
69 . . . . . . . . . . . . . . . . -11.29 . . . . . 97 . N . 97 . HN parsed_1pfj 1
70 . . . . . . . . . . . . . . . . -10.30 . . . . . 98 . N . 98 . HN parsed_1pfj 1
71 . . . . . . . . . . . . . . . . -9.80 . . . . . 100 . N . 100 . HN parsed_1pfj 1
72 . . . . . . . . . . . . . . . . -12.82 . . . . . 102 . N . 102 . HN parsed_1pfj 1
73 . . . . . . . . . . . . . . . . -10.97 . . . . . 103 . N . 103 . HN parsed_1pfj 1
74 . . . . . . . . . . . . . . . . 8.08 . . . . . 104 . N . 104 . HN parsed_1pfj 1
75 . . . . . . . . . . . . . . . . -3.39 . . . . . 105 . N . 105 . HN parsed_1pfj 1
76 . . . . . . . . . . . . . . . . 0.25 . . . . . 106 . N . 106 . HN parsed_1pfj 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 values:" 2 1 2 39 parsed_1pfj 1
stop_
save_
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