NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
53516 |
2rn4   |
cing | 2-parsed | STAR | dipolar coupling | 83 |
data_2rn4_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2rn4
_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_2rn4 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2rn4
_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 2rn4 "Master copy" parsed_2rn4
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2rn4
_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 2rn4.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2rn4 1
1 2rn4.mr . . XPLOR/CNS 2 distance NOE simple 1549 parsed_2rn4 1
1 2rn4.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 36 parsed_2rn4 1
1 2rn4.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 49 parsed_2rn4 1
1 2rn4.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 83 parsed_2rn4 1
1 2rn4.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2rn4 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2rn4
_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 . . . . . . . . . . . . . . . . -0.6484 . . . . . 9 . N . 9 . HN parsed_2rn4 1
2 . . . . . . . . . . . . . . . . -17.6686 . . . . . 10 . N . 10 . HN parsed_2rn4 1
3 . . . . . . . . . . . . . . . . 12.7246 . . . . . 11 . N . 11 . HN parsed_2rn4 1
4 . . . . . . . . . . . . . . . . 8.5101 . . . . . 12 . N . 12 . HN parsed_2rn4 1
5 . . . . . . . . . . . . . . . . 3.3230 . . . . . 13 . N . 13 . HN parsed_2rn4 1
6 . . . . . . . . . . . . . . . . 1.7020 . . . . . 14 . N . 14 . HN parsed_2rn4 1
7 . . . . . . . . . . . . . . . . -2.0262 . . . . . 15 . N . 15 . HN parsed_2rn4 1
8 . . . . . . . . . . . . . . . . -13.7783 . . . . . 16 . N . 16 . HN parsed_2rn4 1
9 . . . . . . . . . . . . . . . . -22.0452 . . . . . 17 . N . 17 . HN parsed_2rn4 1
10 . . . . . . . . . . . . . . . . -24.5578 . . . . . 18 . N . 18 . HN parsed_2rn4 1
11 . . . . . . . . . . . . . . . . -25.5303 . . . . . 19 . N . 19 . HN parsed_2rn4 1
12 . . . . . . . . . . . . . . . . -15.6424 . . . . . 20 . N . 20 . HN parsed_2rn4 1
13 . . . . . . . . . . . . . . . . 5.1061 . . . . . 21 . N . 21 . HN parsed_2rn4 1
14 . . . . . . . . . . . . . . . . 0.1621 . . . . . 22 . N . 22 . HN parsed_2rn4 1
15 . . . . . . . . . . . . . . . . -26.1787 . . . . . 25 . N . 25 . HN parsed_2rn4 1
16 . . . . . . . . . . . . . . . . -19.2085 . . . . . 27 . N . 27 . HN parsed_2rn4 1
17 . . . . . . . . . . . . . . . . 2.8367 . . . . . 28 . N . 28 . HN parsed_2rn4 1
18 . . . . . . . . . . . . . . . . 2.8367 . . . . . 30 . N . 30 . HN parsed_2rn4 1
19 . . . . . . . . . . . . . . . . -0.6484 . . . . . 31 . N . 31 . HN parsed_2rn4 1
20 . . . . . . . . . . . . . . . . -16.2908 . . . . . 32 . N . 32 . HN parsed_2rn4 1
21 . . . . . . . . . . . . . . . . 2.6746 . . . . . 33 . N . 33 . HN parsed_2rn4 1
22 . . . . . . . . . . . . . . . . 18.8033 . . . . . 34 . N . 34 . HN parsed_2rn4 1
23 . . . . . . . . . . . . . . . . -6.1597 . . . . . 35 . N . 35 . HN parsed_2rn4 1
24 . . . . . . . . . . . . . . . . 2.9988 . . . . . 36 . N . 36 . HN parsed_2rn4 1
25 . . . . . . . . . . . . . . . . -17.0202 . . . . . 37 . N . 37 . HN parsed_2rn4 1
26 . . . . . . . . . . . . . . . . -5.6734 . . . . . 38 . N . 38 . HN parsed_2rn4 1
27 . . . . . . . . . . . . . . . . 12.7246 . . . . . 39 . N . 39 . HN parsed_2rn4 1
28 . . . . . . . . . . . . . . . . 0.9726 . . . . . 40 . N . 40 . HN parsed_2rn4 1
29 . . . . . . . . . . . . . . . . 26.3408 . . . . . 41 . N . 41 . HN parsed_2rn4 1
30 . . . . . . . . . . . . . . . . 19.6948 . . . . . 42 . N . 42 . HN parsed_2rn4 1
31 . . . . . . . . . . . . . . . . 4.1335 . . . . . 43 . N . 43 . HN parsed_2rn4 1
32 . . . . . . . . . . . . . . . . -0.7294 . . . . . 44 . N . 44 . HN parsed_2rn4 1
33 . . . . . . . . . . . . . . . . 6.1597 . . . . . 45 . N . 45 . HN parsed_2rn4 1
34 . . . . . . . . . . . . . . . . 3.6472 . . . . . 46 . N . 46 . HN parsed_2rn4 1
35 . . . . . . . . . . . . . . . . 12.8057 . . . . . 47 . N . 47 . HN parsed_2rn4 1
36 . . . . . . . . . . . . . . . . -6.4028 . . . . . 48 . N . 48 . HN parsed_2rn4 1
37 . . . . . . . . . . . . . . . . -0.8105 . . . . . 49 . N . 49 . HN parsed_2rn4 1
38 . . . . . . . . . . . . . . . . 22.9368 . . . . . 50 . N . 50 . HN parsed_2rn4 1
39 . . . . . . . . . . . . . . . . -18.2360 . . . . . 51 . N . 51 . HN parsed_2rn4 1
40 . . . . . . . . . . . . . . . . 0.0810 . . . . . 52 . N . 52 . HN parsed_2rn4 1
41 . . . . . . . . . . . . . . . . 14.7509 . . . . . 53 . N . 53 . HN parsed_2rn4 1
42 . . . . . . . . . . . . . . . . -24.2336 . . . . . 54 . N . 54 . HN parsed_2rn4 1
43 . . . . . . . . . . . . . . . . -2.7557 . . . . . 56 . N . 56 . HN parsed_2rn4 1
44 . . . . . . . . . . . . . . . . -0.3242 . . . . . 57 . N . 57 . HN parsed_2rn4 1
45 . . . . . . . . . . . . . . . . -17.2634 . . . . . 59 . N . 59 . HN parsed_2rn4 1
46 . . . . . . . . . . . . . . . . 13.2920 . . . . . 60 . N . 60 . HN parsed_2rn4 1
47 . . . . . . . . . . . . . . . . 19.7759 . . . . . 61 . N . 61 . HN parsed_2rn4 1
48 . . . . . . . . . . . . . . . . 23.7473 . . . . . 62 . N . 62 . HN parsed_2rn4 1
49 . . . . . . . . . . . . . . . . 15.0751 . . . . . 64 . N . 64 . HN parsed_2rn4 1
50 . . . . . . . . . . . . . . . . 25.2061 . . . . . 67 . N . 67 . HN parsed_2rn4 1
51 . . . . . . . . . . . . . . . . 24.2336 . . . . . 68 . N . 68 . HN parsed_2rn4 1
52 . . . . . . . . . . . . . . . . 21.4779 . . . . . 69 . N . 69 . HN parsed_2rn4 1
53 . . . . . . . . . . . . . . . . 11.7521 . . . . . 70 . N . 70 . HN parsed_2rn4 1
54 . . . . . . . . . . . . . . . . -6.5649 . . . . . 71 . N . 71 . HN parsed_2rn4 1
55 . . . . . . . . . . . . . . . . -4.9440 . . . . . 73 . N . 73 . HN parsed_2rn4 1
56 . . . . . . . . . . . . . . . . 14.5888 . . . . . 74 . N . 74 . HN parsed_2rn4 1
57 . . . . . . . . . . . . . . . . -17.9118 . . . . . 75 . N . 75 . HN parsed_2rn4 1
58 . . . . . . . . . . . . . . . . -11.7521 . . . . . 76 . N . 76 . HN parsed_2rn4 1
59 . . . . . . . . . . . . . . . . -22.2884 . . . . . 77 . N . 77 . HN parsed_2rn4 1
60 . . . . . . . . . . . . . . . . 1.7831 . . . . . 78 . N . 78 . HN parsed_2rn4 1
61 . . . . . . . . . . . . . . . . 21.2348 . . . . . 79 . N . 79 . HN parsed_2rn4 1
62 . . . . . . . . . . . . . . . . 15.0751 . . . . . 80 . N . 80 . HN parsed_2rn4 1
63 . . . . . . . . . . . . . . . . 22.2884 . . . . . 81 . N . 81 . HN parsed_2rn4 1
64 . . . . . . . . . . . . . . . . 18.5601 . . . . . 82 . N . 82 . HN parsed_2rn4 1
65 . . . . . . . . . . . . . . . . 1.8641 . . . . . 83 . N . 83 . HN parsed_2rn4 1
66 . . . . . . . . . . . . . . . . -25.0440 . . . . . 84 . N . 84 . HN parsed_2rn4 1
67 . . . . . . . . . . . . . . . . 0.7294 . . . . . 85 . N . 85 . HN parsed_2rn4 1
68 . . . . . . . . . . . . . . . . -21.4779 . . . . . 86 . N . 86 . HN parsed_2rn4 1
69 . . . . . . . . . . . . . . . . -15.1561 . . . . . 88 . N . 88 . HN parsed_2rn4 1
70 . . . . . . . . . . . . . . . . -22.6126 . . . . . 90 . N . 90 . HN parsed_2rn4 1
71 . . . . . . . . . . . . . . . . -17.7497 . . . . . 91 . N . 91 . HN parsed_2rn4 1
72 . . . . . . . . . . . . . . . . -15.6424 . . . . . 92 . N . 92 . HN parsed_2rn4 1
73 . . . . . . . . . . . . . . . . 2.3504 . . . . . 93 . N . 93 . HN parsed_2rn4 1
74 . . . . . . . . . . . . . . . . 8.8343 . . . . . 96 . N . 96 . HN parsed_2rn4 1
75 . . . . . . . . . . . . . . . . -5.5113 . . . . . 97 . N . 97 . HN parsed_2rn4 1
76 . . . . . . . . . . . . . . . . -2.9178 . . . . . 98 . N . 98 . HN parsed_2rn4 1
77 . . . . . . . . . . . . . . . . -22.9368 . . . . . 99 . N . 99 . HN parsed_2rn4 1
78 . . . . . . . . . . . . . . . . -20.5053 . . . . . 100 . N . 100 . HN parsed_2rn4 1
79 . . . . . . . . . . . . . . . . -27.3134 . . . . . 101 . N . 101 . HN parsed_2rn4 1
80 . . . . . . . . . . . . . . . . -20.7485 . . . . . 102 . N . 102 . HN parsed_2rn4 1
81 . . . . . . . . . . . . . . . . -21.5590 . . . . . 103 . N . 103 . HN parsed_2rn4 1
82 . . . . . . . . . . . . . . . . 19.6138 . . . . . 104 . N . 104 . HN parsed_2rn4 1
83 . . . . . . . . . . . . . . . . 10.5363 . . . . . 105 . N . 105 . HN parsed_2rn4 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 "NH Residual Dipolar Couplings" 1 1 3 2 parsed_2rn4 1
2
;
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 24 and name N )
( resid 24 and name HN ) -0.5673 0.2000
;
102 1 107 53 parsed_2rn4 1
3
;
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 29 and name N )
( resid 29 and name HN ) -0.4052 0.2000
;
130 1 135 53 parsed_2rn4 1
4
;
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 72 and name N )
( resid 72 and name HN ) -27.7187 0.2000
;
396 1 401 54 parsed_2rn4 1
5
;
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 89 and name N )
( resid 89 and name HN ) -30.7175 0.2000
;
508 1 513 54 parsed_2rn4 1
6
;
echo=true
wrnlev=5
;
612 1 613 16 parsed_2rn4 1
stop_
save_
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