NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
581100 |
2mnu   |
19906 | cing | 2-parsed | STAR | dipolar coupling | 72 |
data_2mnu_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mnu
_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_2mnu 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mnu
_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 2mnu "Master copy" parsed_2mnu
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mnu
_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 2mnu.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mnu 1
1 2mnu.mr . . XPLOR/CNS 2 distance NOE simple 1503 parsed_2mnu 1
1 2mnu.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 4 parsed_2mnu 1
1 2mnu.mr . . XPLOR/CNS 4 distance NOE simple 107 parsed_2mnu 1
1 2mnu.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 225 parsed_2mnu 1
1 2mnu.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 72 parsed_2mnu 1
1 2mnu.mr . . XPLOR/CNS 7 unknown "Not applicable" "Not applicable" 0 parsed_2mnu 1
1 2mnu.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mnu 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_6
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2mnu
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . 3.2820 . . . . . 12 . N . 12 . HN parsed_2mnu 1
2 . . . . . . . . . . . . . . . . 10.8270 . . . . . 13 . N . 13 . HN parsed_2mnu 1
3 . . . . . . . . . . . . . . . . 14.7320 . . . . . 14 . N . 14 . HN parsed_2mnu 1
4 . . . . . . . . . . . . . . . . 10.9250 . . . . . 15 . N . 15 . HN parsed_2mnu 1
5 . . . . . . . . . . . . . . . . 11.4960 . . . . . 16 . N . 16 . HN parsed_2mnu 1
6 . . . . . . . . . . . . . . . . 14.6430 . . . . . 17 . N . 17 . HN parsed_2mnu 1
7 . . . . . . . . . . . . . . . . 7.2010 . . . . . 19 . N . 19 . HN parsed_2mnu 1
8 . . . . . . . . . . . . . . . . 2.5300 . . . . . 20 . N . 20 . HN parsed_2mnu 1
9 . . . . . . . . . . . . . . . . 4.0440 . . . . . 21 . N . 21 . HN parsed_2mnu 1
10 . . . . . . . . . . . . . . . . 4.1700 . . . . . 22 . N . 22 . HN parsed_2mnu 1
11 . . . . . . . . . . . . . . . . 3.5440 . . . . . 23 . N . 23 . HN parsed_2mnu 1
12 . . . . . . . . . . . . . . . . 15.7850 . . . . . 24 . N . 24 . HN parsed_2mnu 1
13 . . . . . . . . . . . . . . . . 10.2570 . . . . . 25 . N . 25 . HN parsed_2mnu 1
14 . . . . . . . . . . . . . . . . 14.9830 . . . . . 26 . N . 26 . HN parsed_2mnu 1
15 . . . . . . . . . . . . . . . . 6.2650 . . . . . 29 . N . 29 . HN parsed_2mnu 1
16 . . . . . . . . . . . . . . . . 8.4930 . . . . . 30 . N . 30 . HN parsed_2mnu 1
17 . . . . . . . . . . . . . . . . -1.2450 . . . . . 31 . N . 31 . HN parsed_2mnu 1
18 . . . . . . . . . . . . . . . . 8.0640 . . . . . 33 . N . 33 . HN parsed_2mnu 1
19 . . . . . . . . . . . . . . . . 5.6720 . . . . . 35 . N . 35 . HN parsed_2mnu 1
20 . . . . . . . . . . . . . . . . 17.1430 . . . . . 39 . N . 39 . HN parsed_2mnu 1
21 . . . . . . . . . . . . . . . . 17.0690 . . . . . 40 . N . 40 . HN parsed_2mnu 1
22 . . . . . . . . . . . . . . . . 16.7760 . . . . . 42 . N . 42 . HN parsed_2mnu 1
23 . . . . . . . . . . . . . . . . 13.0060 . . . . . 43 . N . 43 . HN parsed_2mnu 1
24 . . . . . . . . . . . . . . . . 2.7410 . . . . . 44 . N . 44 . HN parsed_2mnu 1
25 . . . . . . . . . . . . . . . . 1.6810 . . . . . 46 . N . 46 . HN parsed_2mnu 1
26 . . . . . . . . . . . . . . . . 16.9510 . . . . . 53 . N . 53 . HN parsed_2mnu 1
27 . . . . . . . . . . . . . . . . 17.9320 . . . . . 54 . N . 54 . HN parsed_2mnu 1
28 . . . . . . . . . . . . . . . . 14.7820 . . . . . 55 . N . 55 . HN parsed_2mnu 1
29 . . . . . . . . . . . . . . . . 9.2040 . . . . . 56 . N . 56 . HN parsed_2mnu 1
30 . . . . . . . . . . . . . . . . -13.8760 . . . . . 57 . N . 57 . HN parsed_2mnu 1
31 . . . . . . . . . . . . . . . . 7.0840 . . . . . 58 . N . 58 . HN parsed_2mnu 1
32 . . . . . . . . . . . . . . . . 5.5770 . . . . . 59 . N . 59 . HN parsed_2mnu 1
33 . . . . . . . . . . . . . . . . -4.4400 . . . . . 60 . N . 60 . HN parsed_2mnu 1
34 . . . . . . . . . . . . . . . . 5.3120 . . . . . 61 . N . 61 . HN parsed_2mnu 1
35 . . . . . . . . . . . . . . . . 9.2020 . . . . . 62 . N . 62 . HN parsed_2mnu 1
36 . . . . . . . . . . . . . . . . 10.0320 . . . . . 63 . N . 63 . HN parsed_2mnu 1
37 . . . . . . . . . . . . . . . . 11.3690 . . . . . 64 . N . 64 . HN parsed_2mnu 1
38 . . . . . . . . . . . . . . . . 0.6010 . . . . . 66 . N . 66 . HN parsed_2mnu 1
39 . . . . . . . . . . . . . . . . 3.5920 . . . . . 67 . N . 67 . HN parsed_2mnu 1
40 . . . . . . . . . . . . . . . . 0.2360 . . . . . 68 . N . 68 . HN parsed_2mnu 1
41 . . . . . . . . . . . . . . . . 5.7580 . . . . . 70 . N . 70 . HN parsed_2mnu 1
42 . . . . . . . . . . . . . . . . 2.8770 . . . . . 71 . N . 71 . HN parsed_2mnu 1
43 . . . . . . . . . . . . . . . . 8.5860 . . . . . 73 . N . 73 . HN parsed_2mnu 1
44 . . . . . . . . . . . . . . . . 13.3960 . . . . . 74 . N . 74 . HN parsed_2mnu 1
45 . . . . . . . . . . . . . . . . 16.0100 . . . . . 75 . N . 75 . HN parsed_2mnu 1
46 . . . . . . . . . . . . . . . . 15.6400 . . . . . 76 . N . 76 . HN parsed_2mnu 1
47 . . . . . . . . . . . . . . . . 17.3210 . . . . . 77 . N . 77 . HN parsed_2mnu 1
48 . . . . . . . . . . . . . . . . 14.4540 . . . . . 78 . N . 78 . HN parsed_2mnu 1
49 . . . . . . . . . . . . . . . . 13.0280 . . . . . 79 . N . 79 . HN parsed_2mnu 1
50 . . . . . . . . . . . . . . . . 2.2340 . . . . . 80 . N . 80 . HN parsed_2mnu 1
51 . . . . . . . . . . . . . . . . 2.4250 . . . . . 203 . N . 203 . HN parsed_2mnu 1
52 . . . . . . . . . . . . . . . . 8.5070 . . . . . 205 . N . 205 . HN parsed_2mnu 1
53 . . . . . . . . . . . . . . . . 9.0730 . . . . . 206 . N . 206 . HN parsed_2mnu 1
54 . . . . . . . . . . . . . . . . 10.2250 . . . . . 207 . N . 207 . HN parsed_2mnu 1
55 . . . . . . . . . . . . . . . . 13.1260 . . . . . 208 . N . 208 . HN parsed_2mnu 1
56 . . . . . . . . . . . . . . . . 14.2060 . . . . . 209 . N . 209 . HN parsed_2mnu 1
57 . . . . . . . . . . . . . . . . 19.3920 . . . . . 210 . N . 210 . HN parsed_2mnu 1
58 . . . . . . . . . . . . . . . . 15.6640 . . . . . 211 . N . 211 . HN parsed_2mnu 1
59 . . . . . . . . . . . . . . . . 7.8600 . . . . . 212 . N . 212 . HN parsed_2mnu 1
60 . . . . . . . . . . . . . . . . 14.2880 . . . . . 214 . N . 214 . HN parsed_2mnu 1
61 . . . . . . . . . . . . . . . . -9.2950 . . . . . 215 . N . 215 . HN parsed_2mnu 1
62 . . . . . . . . . . . . . . . . -8.1550 . . . . . 216 . N . 216 . HN parsed_2mnu 1
63 . . . . . . . . . . . . . . . . 16.8230 . . . . . 217 . N . 217 . HN parsed_2mnu 1
64 . . . . . . . . . . . . . . . . 17.8070 . . . . . 218 . N . 218 . HN parsed_2mnu 1
65 . . . . . . . . . . . . . . . . 18.7770 . . . . . 219 . N . 219 . HN parsed_2mnu 1
66 . . . . . . . . . . . . . . . . 19.7860 . . . . . 220 . N . 220 . HN parsed_2mnu 1
67 . . . . . . . . . . . . . . . . 15.4640 . . . . . 221 . N . 221 . HN parsed_2mnu 1
68 . . . . . . . . . . . . . . . . 11.5600 . . . . . 222 . N . 222 . HN parsed_2mnu 1
69 . . . . . . . . . . . . . . . . 10.0540 . . . . . 223 . N . 223 . HN parsed_2mnu 1
70 . . . . . . . . . . . . . . . . 12.7710 . . . . . 224 . N . 224 . HN parsed_2mnu 1
71 . . . . . . . . . . . . . . . . -3.3060 . . . . . 225 . N . 225 . HN parsed_2mnu 1
72 . . . . . . . . . . . . . . . . 2.3400 . . . . . 226 . N . 226 . HN parsed_2mnu 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
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 5 and name N )
( resid 5 and name HN ) -0.0790 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 6 and name N )
( resid 6 and name HN ) 0.6350 0.2000
;
1 1 1 1 parsed_2mnu 1
2
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 34 and name N )
( resid 34 and name HN ) 5.2410 0.2000
;
143 1 143 1 parsed_2mnu 1
3
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 37 and name N )
( resid 37 and name HN ) -9.9360 0.2000
;
159 1 159 1 parsed_2mnu 1
4
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 72 and name N )
( resid 72 and name HN ) -1.8890 0.2000
;
329 1 329 1 parsed_2mnu 1
5
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 81 and name N )
( resid 81 and name HN ) 5.0130 0.2000
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 ) 8.1240 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 83 and name N )
( resid 83 and name HN ) 7.5550 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 84 and name N )
( resid 84 and name HN ) -0.7700 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 85 and name N )
( resid 85 and name HN ) 1.8430 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 86 and name N )
( resid 86 and name HN ) 2.3440 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 87 and name N )
( resid 87 and name HN ) 2.8330 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 89 and name N )
( resid 89 and name HN ) 2.5060 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 90 and name N )
( resid 90 and name HN ) 1.8540 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 91 and name N )
( resid 91 and name HN ) 1.6200 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 92 and name N )
( resid 92 and name HN ) 1.2750 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 93 and name N )
( resid 93 and name HN ) 1.6600 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 94 and name N )
( resid 94 and name HN ) 1.5020 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 95 and name N )
( resid 95 and name HN ) 0.9630 0.2000
;
394 1 394 1 parsed_2mnu 1
stop_
save_
Contact the webmaster for help, if required. Saturday, May 4, 2024 3:22:47 PM GMT (wattos1)