NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
37843 |
1q9p   |
5967 | cing | 2-parsed | STAR | dipolar coupling | 63 |
data_1q9p_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1q9p
_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_1q9p 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1q9p
_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 1q9p "Master copy" parsed_1q9p
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1q9p
_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 1q9p.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1q9p 1
1 1q9p.mr . . XPLOR/CNS 2 distance NOE simple 761 parsed_1q9p 1
1 1q9p.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 47 parsed_1q9p 1
1 1q9p.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 60 parsed_1q9p 1
1 1q9p.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 63 parsed_1q9p 1
1 1q9p.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1q9p 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_1q9p
_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 . . . . . . . . . . . . . . . . -6.5310 . . . . . 12 . N . 12 . HN parsed_1q9p 1
2 . . . . . . . . . . . . . . . . 0.5570 . . . . . 13 . N . 13 . HN parsed_1q9p 1
3 . . . . . . . . . . . . . . . . 9.8710 . . . . . 14 . N . 14 . HN parsed_1q9p 1
4 . . . . . . . . . . . . . . . . 6.9860 . . . . . 15 . N . 15 . HN parsed_1q9p 1
5 . . . . . . . . . . . . . . . . 6.6320 . . . . . 16 . N . 16 . HN parsed_1q9p 1
6 . . . . . . . . . . . . . . . . 7.4420 . . . . . 17 . N . 17 . HN parsed_1q9p 1
7 . . . . . . . . . . . . . . . . 5.7210 . . . . . 18 . N . 18 . HN parsed_1q9p 1
8 . . . . . . . . . . . . . . . . 11.0360 . . . . . 19 . N . 19 . HN parsed_1q9p 1
9 . . . . . . . . . . . . . . . . 2.6330 . . . . . 20 . N . 20 . HN parsed_1q9p 1
10 . . . . . . . . . . . . . . . . -1.8740 . . . . . 21 . N . 21 . HN parsed_1q9p 1
11 . . . . . . . . . . . . . . . . -7.4410 . . . . . 22 . N . 22 . HN parsed_1q9p 1
12 . . . . . . . . . . . . . . . . -7.1370 . . . . . 23 . N . 23 . HN parsed_1q9p 1
13 . . . . . . . . . . . . . . . . -3.1890 . . . . . 24 . N . 24 . HN parsed_1q9p 1
14 . . . . . . . . . . . . . . . . -3.0380 . . . . . 26 . N . 26 . HN parsed_1q9p 1
15 . . . . . . . . . . . . . . . . 7.1880 . . . . . 27 . N . 27 . HN parsed_1q9p 1
16 . . . . . . . . . . . . . . . . -4.3030 . . . . . 28 . N . 28 . HN parsed_1q9p 1
17 . . . . . . . . . . . . . . . . -8.3530 . . . . . 29 . N . 29 . HN parsed_1q9p 1
18 . . . . . . . . . . . . . . . . -5.4670 . . . . . 30 . N . 30 . HN parsed_1q9p 1
19 . . . . . . . . . . . . . . . . -2.6830 . . . . . 31 . N . 31 . HN parsed_1q9p 1
20 . . . . . . . . . . . . . . . . -4.0500 . . . . . 32 . N . 32 . HN parsed_1q9p 1
21 . . . . . . . . . . . . . . . . -6.3280 . . . . . 34 . N . 34 . HN parsed_1q9p 1
22 . . . . . . . . . . . . . . . . -5.5680 . . . . . 35 . N . 35 . HN parsed_1q9p 1
23 . . . . . . . . . . . . . . . . 2.7850 . . . . . 36 . N . 36 . HN parsed_1q9p 1
24 . . . . . . . . . . . . . . . . 2.6830 . . . . . 37 . N . 37 . HN parsed_1q9p 1
25 . . . . . . . . . . . . . . . . -7.2890 . . . . . 38 . N . 38 . HN parsed_1q9p 1
26 . . . . . . . . . . . . . . . . 5.5180 . . . . . 40 . N . 40 . HN parsed_1q9p 1
27 . . . . . . . . . . . . . . . . -2.3790 . . . . . 41 . N . 41 . HN parsed_1q9p 1
28 . . . . . . . . . . . . . . . . -3.8980 . . . . . 43 . N . 43 . HN parsed_1q9p 1
29 . . . . . . . . . . . . . . . . 7.5930 . . . . . 45 . N . 45 . HN parsed_1q9p 1
30 . . . . . . . . . . . . . . . . 7.6940 . . . . . 46 . N . 46 . HN parsed_1q9p 1
31 . . . . . . . . . . . . . . . . 8.3530 . . . . . 47 . N . 47 . HN parsed_1q9p 1
32 . . . . . . . . . . . . . . . . 3.8970 . . . . . 48 . N . 48 . HN parsed_1q9p 1
33 . . . . . . . . . . . . . . . . -2.9370 . . . . . 49 . N . 49 . HN parsed_1q9p 1
34 . . . . . . . . . . . . . . . . -4.5560 . . . . . 53 . N . 53 . HN parsed_1q9p 1
35 . . . . . . . . . . . . . . . . 4.4040 . . . . . 54 . N . 54 . HN parsed_1q9p 1
36 . . . . . . . . . . . . . . . . 6.0750 . . . . . 55 . N . 55 . HN parsed_1q9p 1
37 . . . . . . . . . . . . . . . . 7.9470 . . . . . 56 . N . 56 . HN parsed_1q9p 1
38 . . . . . . . . . . . . . . . . -5.6190 . . . . . 58 . N . 58 . HN parsed_1q9p 1
39 . . . . . . . . . . . . . . . . -2.9360 . . . . . 59 . N . 59 . HN parsed_1q9p 1
40 . . . . . . . . . . . . . . . . -0.2530 . . . . . 60 . N . 60 . HN parsed_1q9p 1
41 . . . . . . . . . . . . . . . . 8.5550 . . . . . 61 . N . 61 . HN parsed_1q9p 1
42 . . . . . . . . . . . . . . . . 1.8230 . . . . . 62 . N . 62 . HN parsed_1q9p 1
43 . . . . . . . . . . . . . . . . 10.7820 . . . . . 64 . N . 64 . HN parsed_1q9p 1
44 . . . . . . . . . . . . . . . . 6.4300 . . . . . 65 . N . 65 . HN parsed_1q9p 1
45 . . . . . . . . . . . . . . . . 2.4300 . . . . . 66 . N . 66 . HN parsed_1q9p 1
46 . . . . . . . . . . . . . . . . 3.1380 . . . . . 67 . N . 67 . HN parsed_1q9p 1
47 . . . . . . . . . . . . . . . . 1.8220 . . . . . 68 . N . 68 . HN parsed_1q9p 1
48 . . . . . . . . . . . . . . . . -5.2140 . . . . . 69 . N . 69 . HN parsed_1q9p 1
49 . . . . . . . . . . . . . . . . -4.2020 . . . . . 70 . N . 70 . HN parsed_1q9p 1
50 . . . . . . . . . . . . . . . . 9.1620 . . . . . 71 . N . 71 . HN parsed_1q9p 1
51 . . . . . . . . . . . . . . . . 9.1120 . . . . . 72 . N . 72 . HN parsed_1q9p 1
52 . . . . . . . . . . . . . . . . 12.7060 . . . . . 73 . N . 73 . HN parsed_1q9p 1
53 . . . . . . . . . . . . . . . . 11.9470 . . . . . 74 . N . 74 . HN parsed_1q9p 1
54 . . . . . . . . . . . . . . . . -1.5690 . . . . . 75 . N . 75 . HN parsed_1q9p 1
55 . . . . . . . . . . . . . . . . 8.9610 . . . . . 76 . N . 76 . HN parsed_1q9p 1
56 . . . . . . . . . . . . . . . . -1.8220 . . . . . 77 . N . 77 . HN parsed_1q9p 1
57 . . . . . . . . . . . . . . . . -6.4290 . . . . . 78 . N . 78 . HN parsed_1q9p 1
58 . . . . . . . . . . . . . . . . -3.9480 . . . . . 84 . N . 84 . HN parsed_1q9p 1
59 . . . . . . . . . . . . . . . . -5.9740 . . . . . 87 . N . 87 . HN parsed_1q9p 1
60 . . . . . . . . . . . . . . . . -4.3030 . . . . . 88 . N . 88 . HN parsed_1q9p 1
61 . . . . . . . . . . . . . . . . -3.5950 . . . . . 89 . N . 89 . HN parsed_1q9p 1
62 . . . . . . . . . . . . . . . . -7.6440 . . . . . 90 . N . 90 . HN parsed_1q9p 1
63 . . . . . . . . . . . . . . . . -7.6950 . . . . . 91 . N . 91 . HN parsed_1q9p 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
;
dipolar coupling
;
2 1 6 2 parsed_1q9p 1
2
;
MOBILE REGION
assign ( resid 500 and name OO)
( resid 500 and name Z)
( resid 500 and name X)
( resid 500 and name Y)
( resid 50 and name N)
( resid 50 and name HN) 0.2530 0.5000
assign ( resid 500 and name OO)
( resid 500 and name Z)
( resid 500 and name X)
( resid 500 and name Y)
( resid 51 and name N)
( resid 51 and name HN) 0.8100 0.5000
assign ( resid 500 and name OO)
( resid 500 and name Z)
( resid 500 and name X)
( resid 500 and name Y)
( resid 52 and name N)
( resid 52 and name HN) -0.0500 0.5000
;
239 1 259 55 parsed_1q9p 1
3
;
MOBILE REGION
assign ( resid 500 and name OO)
( resid 500 and name Z)
( resid 500 and name X)
( resid 500 and name Y)
( resid 82 and name N)
( resid 82 and name HN) 1.2650 0.5000
;
429 1 435 55 parsed_1q9p 1
stop_
save_
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