NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
580149 |
4ch1   |
19653 | cing | 2-parsed | STAR | dipolar coupling | 73 |
data_4ch1_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_4ch1
_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_4ch1 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_4ch1
_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 4ch1 "Master copy" parsed_4ch1
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_4ch1
_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 4ch1.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_4ch1 1
1 4ch1.mr . . XPLOR/CNS 2 distance NOE ambi 2506 parsed_4ch1 1
1 4ch1.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 50 parsed_4ch1 1
1 4ch1.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 275 parsed_4ch1 1
1 4ch1.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 73 parsed_4ch1 1
1 4ch1.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_4ch1 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_4ch1
_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 . . . . . . . . . . . . . . . . 6.42 . . . . . 32 . HN . 32 . N parsed_4ch1 1
2 . . . . . . . . . . . . . . . . -5.04 . . . . . 33 . HN . 33 . N parsed_4ch1 1
3 . . . . . . . . . . . . . . . . 6.78 . . . . . 34 . HN . 34 . N parsed_4ch1 1
4 . . . . . . . . . . . . . . . . -0.63 . . . . . 35 . HN . 35 . N parsed_4ch1 1
5 . . . . . . . . . . . . . . . . -6.96 . . . . . 36 . HN . 36 . N parsed_4ch1 1
6 . . . . . . . . . . . . . . . . 1.52 . . . . . 37 . HN . 37 . N parsed_4ch1 1
7 . . . . . . . . . . . . . . . . -15.16 . . . . . 39 . HN . 39 . N parsed_4ch1 1
8 . . . . . . . . . . . . . . . . -3.57 . . . . . 40 . HN . 40 . N parsed_4ch1 1
9 . . . . . . . . . . . . . . . . -5.14 . . . . . 45 . HN . 45 . N parsed_4ch1 1
10 . . . . . . . . . . . . . . . . 10.31 . . . . . 46 . HN . 46 . N parsed_4ch1 1
11 . . . . . . . . . . . . . . . . 5.02 . . . . . 47 . HN . 47 . N parsed_4ch1 1
12 . . . . . . . . . . . . . . . . -9.12 . . . . . 48 . HN . 48 . N parsed_4ch1 1
13 . . . . . . . . . . . . . . . . -8.79 . . . . . 49 . HN . 49 . N parsed_4ch1 1
14 . . . . . . . . . . . . . . . . 3.10 . . . . . 50 . HN . 50 . N parsed_4ch1 1
15 . . . . . . . . . . . . . . . . -10.54 . . . . . 51 . HN . 51 . N parsed_4ch1 1
16 . . . . . . . . . . . . . . . . -8.09 . . . . . 52 . HN . 52 . N parsed_4ch1 1
17 . . . . . . . . . . . . . . . . -7.30 . . . . . 53 . HN . 53 . N parsed_4ch1 1
18 . . . . . . . . . . . . . . . . 4.42 . . . . . 54 . HN . 54 . N parsed_4ch1 1
19 . . . . . . . . . . . . . . . . -3.6 . . . . . 55 . HN . 55 . N parsed_4ch1 1
20 . . . . . . . . . . . . . . . . 13.14 . . . . . 57 . HN . 57 . N parsed_4ch1 1
21 . . . . . . . . . . . . . . . . 0.09 . . . . . 58 . HN . 58 . N parsed_4ch1 1
22 . . . . . . . . . . . . . . . . -12.27 . . . . . 59 . HN . 59 . N parsed_4ch1 1
23 . . . . . . . . . . . . . . . . -7.74 . . . . . 60 . HN . 60 . N parsed_4ch1 1
24 . . . . . . . . . . . . . . . . 0.25 . . . . . 61 . HN . 61 . N parsed_4ch1 1
25 . . . . . . . . . . . . . . . . 1.92 . . . . . 62 . HN . 62 . N parsed_4ch1 1
26 . . . . . . . . . . . . . . . . -14 . . . . . 63 . HN . 63 . N parsed_4ch1 1
27 . . . . . . . . . . . . . . . . -9.74 . . . . . 64 . HN . 64 . N parsed_4ch1 1
28 . . . . . . . . . . . . . . . . -11.85 . . . . . 65 . HN . 65 . N parsed_4ch1 1
29 . . . . . . . . . . . . . . . . -11.22 . . . . . 67 . HN . 67 . N parsed_4ch1 1
30 . . . . . . . . . . . . . . . . 1.70 . . . . . 68 . HN . 68 . N parsed_4ch1 1
31 . . . . . . . . . . . . . . . . -3.67 . . . . . 69 . HN . 69 . N parsed_4ch1 1
32 . . . . . . . . . . . . . . . . -7.84 . . . . . 70 . HN . 70 . N parsed_4ch1 1
33 . . . . . . . . . . . . . . . . -4.74 . . . . . 71 . HN . 71 . N parsed_4ch1 1
34 . . . . . . . . . . . . . . . . -11.05 . . . . . 72 . HN . 72 . N parsed_4ch1 1
35 . . . . . . . . . . . . . . . . -2.12 . . . . . 73 . HN . 73 . N parsed_4ch1 1
36 . . . . . . . . . . . . . . . . 11.28 . . . . . 74 . HN . 74 . N parsed_4ch1 1
37 . . . . . . . . . . . . . . . . -8.33 . . . . . 75 . HN . 75 . N parsed_4ch1 1
38 . . . . . . . . . . . . . . . . 13.22 . . . . . 76 . HN . 76 . N parsed_4ch1 1
39 . . . . . . . . . . . . . . . . -9.43 . . . . . 77 . HN . 77 . N parsed_4ch1 1
40 . . . . . . . . . . . . . . . . -14.68 . . . . . 78 . HN . 78 . N parsed_4ch1 1
41 . . . . . . . . . . . . . . . . -16.94 . . . . . 79 . HN . 79 . N parsed_4ch1 1
42 . . . . . . . . . . . . . . . . -11.94 . . . . . 80 . HN . 80 . N parsed_4ch1 1
43 . . . . . . . . . . . . . . . . -1.82 . . . . . 81 . HN . 81 . N parsed_4ch1 1
44 . . . . . . . . . . . . . . . . -11.34 . . . . . 82 . HN . 82 . N parsed_4ch1 1
45 . . . . . . . . . . . . . . . . -4.88 . . . . . 84 . HN . 84 . N parsed_4ch1 1
46 . . . . . . . . . . . . . . . . -2.99 . . . . . 85 . HN . 85 . N parsed_4ch1 1
47 . . . . . . . . . . . . . . . . -0.92 . . . . . 86 . HN . 86 . N parsed_4ch1 1
48 . . . . . . . . . . . . . . . . 10.13 . . . . . 87 . HN . 87 . N parsed_4ch1 1
49 . . . . . . . . . . . . . . . . -2.04 . . . . . 88 . HN . 88 . N parsed_4ch1 1
50 . . . . . . . . . . . . . . . . -2.42 . . . . . 89 . HN . 89 . N parsed_4ch1 1
51 . . . . . . . . . . . . . . . . 10.14 . . . . . 90 . HN . 90 . N parsed_4ch1 1
52 . . . . . . . . . . . . . . . . 8.04 . . . . . 91 . HN . 91 . N parsed_4ch1 1
53 . . . . . . . . . . . . . . . . -0.72 . . . . . 92 . HN . 92 . N parsed_4ch1 1
54 . . . . . . . . . . . . . . . . 4.34 . . . . . 93 . HN . 93 . N parsed_4ch1 1
55 . . . . . . . . . . . . . . . . 17.38 . . . . . 94 . HN . 94 . N parsed_4ch1 1
56 . . . . . . . . . . . . . . . . 1.88 . . . . . 95 . HN . 95 . N parsed_4ch1 1
57 . . . . . . . . . . . . . . . . 5.12 . . . . . 97 . HN . 97 . N parsed_4ch1 1
58 . . . . . . . . . . . . . . . . 7.18 . . . . . 99 . HN . 99 . N parsed_4ch1 1
59 . . . . . . . . . . . . . . . . 24.61 . . . . . 100 . HN . 100 . N parsed_4ch1 1
60 . . . . . . . . . . . . . . . . 23.51 . . . . . 101 . HN . 101 . N parsed_4ch1 1
61 . . . . . . . . . . . . . . . . 11.54 . . . . . 102 . HN . 102 . N parsed_4ch1 1
62 . . . . . . . . . . . . . . . . 8.27 . . . . . 103 . HN . 103 . N parsed_4ch1 1
63 . . . . . . . . . . . . . . . . 20.41 . . . . . 105 . HN . 105 . N parsed_4ch1 1
64 . . . . . . . . . . . . . . . . -10.87 . . . . . 106 . HN . 106 . N parsed_4ch1 1
65 . . . . . . . . . . . . . . . . -9.94 . . . . . 107 . HN . 107 . N parsed_4ch1 1
66 . . . . . . . . . . . . . . . . -15.30 . . . . . 108 . HN . 108 . N parsed_4ch1 1
67 . . . . . . . . . . . . . . . . -13.48 . . . . . 109 . HN . 109 . N parsed_4ch1 1
68 . . . . . . . . . . . . . . . . 18.41 . . . . . 110 . HN . 110 . N parsed_4ch1 1
69 . . . . . . . . . . . . . . . . 25.115 . . . . . 111 . HN . 111 . N parsed_4ch1 1
70 . . . . . . . . . . . . . . . . 10.86 . . . . . 112 . HN . 112 . N parsed_4ch1 1
71 . . . . . . . . . . . . . . . . 5.66 . . . . . 113 . HN . 113 . N parsed_4ch1 1
72 . . . . . . . . . . . . . . . . 2.85 . . . . . 114 . HN . 114 . N parsed_4ch1 1
73 . . . . . . . . . . . . . . . . -1.35 . . . . . 117 . HN . 117 . N parsed_4ch1 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
;
RDC restraints
!aligned with PEG/hexanol with HDO splitting 35.5 Hz
!
!Da=13
!R=0.25
;
1 1 6 9 parsed_4ch1 1
stop_
save_
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