NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type |
|
|
567184 |
2me3   |
19514 | cing | 2-parsed | STAR | dipolar coupling |
data_2me3_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2me3
_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_2me3 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2me3
_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 2me3 "Master copy" parsed_2me3
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2me3
_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 2me3.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2me3 1
1 2me3.mr . . XPLOR/CNS 2 distance NOE simple 382 parsed_2me3 1
1 2me3.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 47 parsed_2me3 1
1 2me3.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2me3 1
1 2me3.mr . . XPLOR/CNS 5 unknown "Not applicable" "Not applicable" 0 parsed_2me3 1
1 2me3.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2me3 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2me3
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 4
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint_parse_err.ID
_RDC_constraint_parse_err.Content
_RDC_constraint_parse_err.Begin_line
_RDC_constraint_parse_err.Begin_column
_RDC_constraint_parse_err.End_line
_RDC_constraint_parse_err.End_column
_RDC_constraint_parse_err.Entry_ID
_RDC_constraint_parse_err.RDC_constraint_list_ID
1
;
assign ( resid 666 and name N )
( resid 666 and name HN ) -3.18 1.00
;
2 1 3 47 parsed_2me3 1
2
;
assign ( resid 667 and name N )
( resid 667 and name HN ) 1.37 1.00
;
4 1 5 47 parsed_2me3 1
3
;
assign ( resid 668 and name N )
( resid 668 and name HN ) -8.28 1.00
;
6 1 7 47 parsed_2me3 1
4
;
assign ( resid 669 and name N )
( resid 669 and name HN ) -7.48 1.00
;
8 1 9 47 parsed_2me3 1
5
;
assign ( resid 670 and name N )
( resid 670 and name HN ) 4.18 1.00
;
10 1 11 47 parsed_2me3 1
6
;
assign ( resid 671 and name N )
( resid 671 and name HN ) -1.45 1.00
;
12 1 13 47 parsed_2me3 1
7
;
assign ( resid 672 and name N )
( resid 672 and name HN ) -8.59 1.00
;
14 1 15 47 parsed_2me3 1
8
;
assign ( resid 665 and name C )
( resid 666 and name N ) -4.73 1.00
;
16 1 17 47 parsed_2me3 1
9
;
assign ( resid 666 and name C )
( resid 667 and name N ) 15.24 1.00
;
18 1 19 47 parsed_2me3 1
10
;
assign ( resid 667 and name C )
( resid 668 and name N ) -6.26 1.00
;
20 1 21 47 parsed_2me3 1
11
;
assign ( resid 668 and name C )
( resid 669 and name N ) -0.65 1.00
;
22 1 23 47 parsed_2me3 1
12
;
assign ( resid 669 and name C )
( resid 670 and name N ) -0.50 1.00
;
24 1 25 47 parsed_2me3 1
13
;
assign ( resid 670 and name C )
( resid 671 and name N ) 4.84 1.00
;
26 1 27 47 parsed_2me3 1
14
;
assign ( resid 671 and name C )
( resid 672 and name N ) -0.74 1.00
;
28 1 29 47 parsed_2me3 1
15
;
assign ( resid 666 and name CA )
( resid 666 and name C ) -8.34 1.00
;
30 1 31 47 parsed_2me3 1
16
;
assign ( resid 667 and name CA )
( resid 667 and name C ) -7.79 1.00
;
32 1 33 47 parsed_2me3 1
17
;
assign ( resid 669 and name CA )
( resid 669 and name C ) -8.14 1.00
;
34 1 35 47 parsed_2me3 1
18
;
assign ( resid 670 and name CA )
( resid 670 and name C ) -10.14 1.00
;
36 1 37 47 parsed_2me3 1
19
;
assign ( resid 671 and name CA )
( resid 671 and name C ) 1.71 1.00
;
38 1 39 47 parsed_2me3 1
20
;
assign ( resid 672 and name CA )
( resid 672 and name C ) 3.34 1.00
;
40 1 41 47 parsed_2me3 1
21
;
assign ( resid 666 and name CA )
( resid 666 and name HA ) 8.44 1.00
;
42 1 43 47 parsed_2me3 1
22
;
assign ( resid 667 and name CA )
( resid 667 and name HA ) -2.00 1.00
;
44 1 45 47 parsed_2me3 1
23
;
assign ( resid 668 and name CA )
( resid 668 and name HA ) -4.17 1.00
;
46 1 47 47 parsed_2me3 1
24
;
assign ( resid 669 and name CA )
( resid 669 and name HA ) -4.45 1.00
;
48 1 49 47 parsed_2me3 1
25
;
assign ( resid 670 and name CA )
( resid 670 and name HA ) 18.06 1.00
;
50 1 51 47 parsed_2me3 1
26
;
assign ( resid 671 and name CA )
( resid 671 and name HA ) -5.31 1.00
;
52 1 53 47 parsed_2me3 1
27
;
assign ( resid 672 and name CA )
( resid 672 and name HA ) -3.64 1.00
;
54 1 55 47 parsed_2me3 1
28
;
assign ( resid 675 and name N )
( resid 675 and name HN ) -1.72 1.00
;
57 1 58 47 parsed_2me3 1
29
;
assign ( resid 676 and name N )
( resid 676 and name HN ) 4.24 1.00
;
59 1 60 47 parsed_2me3 1
30
;
assign ( resid 677 and name N )
( resid 677 and name HN ) -2.17 1.00
;
61 1 62 47 parsed_2me3 1
31
;
assign ( resid 678 and name N )
( resid 678 and name HN ) -0.81 1.00
;
63 1 64 47 parsed_2me3 1
32
;
assign ( resid 679 and name N )
( resid 679 and name HN ) 8.25 1.00
;
65 1 66 47 parsed_2me3 1
33
;
assign ( resid 680 and name N )
( resid 680 and name HN ) 3.96 1.00
;
67 1 68 47 parsed_2me3 1
34
;
assign ( resid 681 and name N )
( resid 681 and name HN ) -2.15 1.00
;
69 1 70 47 parsed_2me3 1
35
;
assign ( resid 674 and name C )
( resid 675 and name N ) -3.29 1.00
;
71 1 72 47 parsed_2me3 1
36
;
assign ( resid 675 and name C )
( resid 676 and name N ) 4.58 1.00
;
73 1 74 47 parsed_2me3 1
37
;
assign ( resid 676 and name C )
( resid 677 and name N ) -1.45 1.00
;
75 1 76 47 parsed_2me3 1
38
;
assign ( resid 677 and name C )
( resid 678 and name N ) -5.37 1.00
;
77 1 78 47 parsed_2me3 1
39
;
assign ( resid 678 and name C )
( resid 679 and name N ) 0.36 1.00
;
79 1 80 47 parsed_2me3 1
40
;
assign ( resid 679 and name C )
( resid 680 and name N ) -2.42 1.00
;
81 1 82 47 parsed_2me3 1
41
;
assign ( resid 680 and name C )
( resid 681 and name N ) -0.53 1.00
;
83 1 84 47 parsed_2me3 1
42
;
assign ( resid 681 and name C )
( resid 682 and name N ) -3.13 1.00
;
85 1 86 47 parsed_2me3 1
43
;
assign ( resid 675 and name CA )
( resid 675 and name C ) -4.94 1.00
;
87 1 88 47 parsed_2me3 1
44
;
assign ( resid 676 and name CA )
( resid 676 and name C ) -4.02 1.00
;
89 1 90 47 parsed_2me3 1
45
;
assign ( resid 677 and name CA )
( resid 677 and name C ) 7.97 1.00
;
91 1 92 47 parsed_2me3 1
46
;
assign ( resid 678 and name CA )
( resid 678 and name C ) 1.63 1.00
;
93 1 94 47 parsed_2me3 1
47
;
assign ( resid 679 and name CA )
( resid 679 and name C ) -5.86 1.00
;
95 1 96 47 parsed_2me3 1
48
;
assign ( resid 680 and name CA )
( resid 680 and name C ) 3.26 1.00
;
97 1 98 47 parsed_2me3 1
49
;
assign ( resid 681 and name CA )
( resid 681 and name C ) -0.99 1.00
;
99 1 100 47 parsed_2me3 1
50
;
assign ( resid 682 and name CA )
( resid 682 and name C ) -0.69 1.00
;
101 1 102 47 parsed_2me3 1
51
;
assign ( resid 675 and name CA )
( resid 675 and name HA ) 2.72 1.00
;
103 1 104 47 parsed_2me3 1
52
;
assign ( resid 676 and name CA )
( resid 676 and name HA ) 2.07 1.00
;
105 1 106 47 parsed_2me3 1
53
;
assign ( resid 677 and name CA )
( resid 677 and name HA ) -5.18 1.00
;
107 1 108 47 parsed_2me3 1
54
;
assign ( resid 678 and name CA )
( resid 678 and name HA ) -2.71 1.00
;
109 1 110 47 parsed_2me3 1
55
;
assign ( resid 679 and name CA )
( resid 679 and name HA ) 4.39 1.00
;
111 1 112 47 parsed_2me3 1
56
;
assign ( resid 680 and name CA )
( resid 680 and name HA ) 0.90 1.00
;
113 1 114 47 parsed_2me3 1
57
;
assign ( resid 681 and name CA )
( resid 681 and name HA ) -3.95 1.00
;
115 1 116 47 parsed_2me3 1
58
;
assign ( resid 682 and name CA )
( resid 682 and name HA ) 3.30 1.00
;
117 1 118 47 parsed_2me3 1
stop_
save_
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