NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
52378 |
2kgp   |
cing | 2-parsed | STAR | dipolar coupling | 30 |
data_2kgp_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kgp
_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_2kgp 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kgp
_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 2kgp "Master copy" parsed_2kgp
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kgp
_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 2kgp.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kgp 1
1 2kgp.mr . . XPLOR/CNS 2 "dipolar coupling" "Not applicable" "Not applicable" 30 parsed_2kgp 1
1 2kgp.mr . . XPLOR/CNS 3 distance NOE simple 0 parsed_2kgp 1
1 2kgp.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_2kgp 1
1 2kgp.mr . . XPLOR/CNS 5 planarity "Not applicable" "Not applicable" 0 parsed_2kgp 1
1 2kgp.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2kgp 1
1 2kgp.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kgp 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_2
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2kgp
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . 19.0000 . . . . . 10 . C2 . 10 . H2 parsed_2kgp 1
2 . . . . . . . . . . . . . . . . 13.5000 . . . . . 21 . C2 . 21 . H2 parsed_2kgp 1
3 . . . . . . . . . . . . . . . . 17.0000 . . . . . 19 . C2 . 19 . H2 parsed_2kgp 1
4 . . . . . . . . . . . . . . . . 18.0000 . . . . . 9 . C8 . 9 . H8 parsed_2kgp 1
5 . . . . . . . . . . . . . . . . 9.0000 . . . . . 7 . C8 . 7 . H8 parsed_2kgp 1
6 . . . . . . . . . . . . . . . . 11.0000 . . . . . 23 . C8 . 23 . H8 parsed_2kgp 1
7 . . . . . . . . . . . . . . . . 14.0000 . . . . . 5 . C8 . 5 . H8 parsed_2kgp 1
8 . . . . . . . . . . . . . . . . 9.0000 . . . . . 10 . C8 . 10 . H8 parsed_2kgp 1
9 . . . . . . . . . . . . . . . . -0.5000 . . . . . 2 . C8 . 2 . H8 parsed_2kgp 1
10 . . . . . . . . . . . . . . . . 4.00000 . . . . . 19 . C8 . 19 . H8 parsed_2kgp 1
11 . . . . . . . . . . . . . . . . 14.00000 . . . . . 21 . C8 . 21 . H8 parsed_2kgp 1
12 . . . . . . . . . . . . . . . . 12.50000 . . . . . 16 . C6 . 16 . H6 parsed_2kgp 1
13 . . . . . . . . . . . . . . . . 10.00000 . . . . . 20 . C6 . 20 . H6 parsed_2kgp 1
14 . . . . . . . . . . . . . . . . 3.50000 . . . . . 24 . C6 . 24 . H6 parsed_2kgp 1
15 . . . . . . . . . . . . . . . . 16.50000 . . . . . 18 . C6 . 18 . H6 parsed_2kgp 1
16 . . . . . . . . . . . . . . . . 13.00000 . . . . . 6 . C6 . 6 . H6 parsed_2kgp 1
17 . . . . . . . . . . . . . . . . 12.50000 . . . . . 8 . C6 . 8 . H6 parsed_2kgp 1
18 . . . . . . . . . . . . . . . . 0.50000 . . . . . 25 . C6 . 25 . H6 parsed_2kgp 1
19 . . . . . . . . . . . . . . . . -3.00000 . . . . . 17 . C6 . 17 . H6 parsed_2kgp 1
20 . . . . . . . . . . . . . . . . 9.50000 . . . . . 17 . C5 . 17 . H5 parsed_2kgp 1
21 . . . . . . . . . . . . . . . . 7.50000 . . . . . 6 . C5 . 6 . H5 parsed_2kgp 1
22 . . . . . . . . . . . . . . . . 5.00000 . . . . . 24 . C5 . 24 . H5 parsed_2kgp 1
23 . . . . . . . . . . . . . . . . 4.50000 . . . . . 25 . C5 . 25 . H5 parsed_2kgp 1
24 . . . . . . . . . . . . . . . . -2.50000 . . . . . 18 . C5 . 18 . H5 parsed_2kgp 1
25 . . . . . . . . . . . . . . . . 5.50000 . . . . . 24 . C5 . 24 . H5 parsed_2kgp 1
26 . . . . . . . . . . . . . . . . 14.50000 . . . . . 5 . C1' . 5 . H1' parsed_2kgp 1
27 . . . . . . . . . . . . . . . . 10.50000 . . . . . 22 . C1' . 22 . H1' parsed_2kgp 1
28 . . . . . . . . . . . . . . . . -9.00000 . . . . . 6 . C1' . 6 . H1' parsed_2kgp 1
29 . . . . . . . . . . . . . . . . -0.50000 . . . . . 21 . C1' . 21 . H1' parsed_2kgp 1
30 . . . . . . . . . . . . . . . . 8.00000 . . . . . 9 . C1' . 9 . H1' parsed_2kgp 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
;
dip2rand.nawk Table; Output File: dip_70.tbl
FractRand: 0.70; NO-Overlap
SEED: 54001124
Mean ABS(Measure): 13.4789 Mean SumSquare: 225.0152 Count: 71
Date: Mon Jun 24 11:00:54 EDT 2002
Path: /net/octave1/clore/RNA_THEO/PAIRS/TEST
A+4:H2
;
1 1 8 8 parsed_2kgp 1
2 A+15:H2 16 1 16 9 parsed_2kgp 1
3 A+13:H2 24 1 24 9 parsed_2kgp 1
4
;
C8-H8 and C6-H6
G+3 H8
;
32 1 34 9 parsed_2kgp 1
5 "G+1 H8" 42 1 42 9 parsed_2kgp 1
6 "G+17 H8" 50 1 50 9 parsed_2kgp 1
7 "G-1 H8" 58 1 58 9 parsed_2kgp 1
8 "A+4 H8" 66 1 66 9 parsed_2kgp 1
9 "G-4 H8" 74 1 74 9 parsed_2kgp 1
10 "A+13 H8" 82 1 82 10 parsed_2kgp 1
11 "A+15 H8" 90 1 90 10 parsed_2kgp 1
12 C+16:H6(ol) 98 1 98 13 parsed_2kgp 1
13 C+14:H6 106 1 106 10 parsed_2kgp 1
14 U+18:H6 114 1 114 9 parsed_2kgp 1
15 C+12:H6(diff) 122 1 122 16 parsed_2kgp 1
16 U0:H6(ol) 130 1 130 12 parsed_2kgp 1
17 U+2:H6(ol) 138 1 138 13 parsed_2kgp 1
18 C+19:H6 146 1 146 10 parsed_2kgp 1
19 U+11:H6 154 1 154 10 parsed_2kgp 1
20 U+11:H5 162 1 162 9 parsed_2kgp 1
21 "U0:H5 (care)" 170 1 170 14 parsed_2kgp 1
22 U+18:1H5(ol) 178 1 178 14 parsed_2kgp 1
23 C+19:H5 186 1 186 9 parsed_2kgp 1
24 C+12:H5 194 1 194 9 parsed_2kgp 1
25 C+16:H5 202 1 202 9 parsed_2kgp 1
26
;
C1'-H1'
G-1:H1'
;
210 1 211 9 parsed_2kgp 1
27 C+16:H1' 218 1 218 10 parsed_2kgp 1
28 U0:H1' 225 1 225 8 parsed_2kgp 1
29 A+15:H1'(ol) 232 1 232 14 parsed_2kgp 1
30 G+3:H1'(ol) 239 1 239 13 parsed_2kgp 1
stop_
save_
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