NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
473169 |
2i8f   |
7296 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 30 |
data_2i8f_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2i8f
_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_2i8f 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2i8f
_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 2i8f "Master copy" parsed_2i8f
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2i8f
_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 2i8f.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2i8f 1
1 2i8f.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 30 parsed_2i8f 1
1 2i8f.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2i8f 1
1 2i8f.mr . . XPLOR/CNS 4 distance NOE ambi 0 parsed_2i8f 1
1 2i8f.mr . . ARIA 5 peak "Not applicable" "Not applicable" 0 parsed_2i8f 1
1 2i8f.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2i8f 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2i8f
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_2i8f 1
2 1 . . . parsed_2i8f 1
3 1 . . . parsed_2i8f 1
4 1 . . . parsed_2i8f 1
5 1 . . . parsed_2i8f 1
6 1 . . . parsed_2i8f 1
7 1 . . . parsed_2i8f 1
8 1 . . . parsed_2i8f 1
9 1 . . . parsed_2i8f 1
10 1 . . . parsed_2i8f 1
11 1 . . . parsed_2i8f 1
12 1 . . . parsed_2i8f 1
13 1 . . . parsed_2i8f 1
14 1 . . . parsed_2i8f 1
15 1 . . . parsed_2i8f 1
16 1 . . . parsed_2i8f 1
17 1 . . . parsed_2i8f 1
18 1 . . . parsed_2i8f 1
19 1 . . . parsed_2i8f 1
20 1 . . . parsed_2i8f 1
21 1 . . . parsed_2i8f 1
22 1 . . . parsed_2i8f 1
23 1 . . . parsed_2i8f 1
24 1 . . . parsed_2i8f 1
25 1 . . . parsed_2i8f 1
26 1 . . . parsed_2i8f 1
27 1 . . . parsed_2i8f 1
28 1 . . . parsed_2i8f 1
29 1 . . . parsed_2i8f 1
30 1 . . . parsed_2i8f 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . c551 2 . O parsed_2i8f 1
1 1 2 . . . . . . . . c551 6 . N parsed_2i8f 1
2 1 1 . . . . . . . . c551 3 . O parsed_2i8f 1
2 1 2 . . . . . . . . c551 7 . N parsed_2i8f 1
3 1 1 . . . . . . . . c551 4 . O parsed_2i8f 1
3 1 2 . . . . . . . . c551 8 . N parsed_2i8f 1
4 1 1 . . . . . . . . c551 5 . O parsed_2i8f 1
4 1 2 . . . . . . . . c551 9 . N parsed_2i8f 1
5 1 1 . . . . . . . . c551 6 . O parsed_2i8f 1
5 1 2 . . . . . . . . c551 10 . N parsed_2i8f 1
6 1 1 . . . . . . . . c551 12 . O parsed_2i8f 1
6 1 2 . . . . . . . . c551 16 . N parsed_2i8f 1
7 1 1 . . . . . . . . c551 26 . O parsed_2i8f 1
7 1 2 . . . . . . . . c551 30 . N parsed_2i8f 1
8 1 1 . . . . . . . . c551 27 . O parsed_2i8f 1
8 1 2 . . . . . . . . c551 31 . N parsed_2i8f 1
9 1 1 . . . . . . . . c551 28 . O parsed_2i8f 1
9 1 2 . . . . . . . . c551 32 . N parsed_2i8f 1
10 1 1 . . . . . . . . c551 29 . O parsed_2i8f 1
10 1 2 . . . . . . . . c551 33 . N parsed_2i8f 1
11 1 1 . . . . . . . . c551 30 . O parsed_2i8f 1
11 1 2 . . . . . . . . c551 34 . N parsed_2i8f 1
12 1 1 . . . . . . . . c551 39 . O parsed_2i8f 1
12 1 2 . . . . . . . . c551 43 . N parsed_2i8f 1
13 1 1 . . . . . . . . c551 40 . O parsed_2i8f 1
13 1 2 . . . . . . . . c551 44 . N parsed_2i8f 1
14 1 1 . . . . . . . . c551 41 . O parsed_2i8f 1
14 1 2 . . . . . . . . c551 45 . N parsed_2i8f 1
15 1 1 . . . . . . . . c551 42 . O parsed_2i8f 1
15 1 2 . . . . . . . . c551 46 . N parsed_2i8f 1
16 1 1 . . . . . . . . c551 43 . O parsed_2i8f 1
16 1 2 . . . . . . . . c551 47 . N parsed_2i8f 1
17 1 1 . . . . . . . . c551 44 . O parsed_2i8f 1
17 1 2 . . . . . . . . c551 48 . N parsed_2i8f 1
18 1 1 . . . . . . . . c551 45 . O parsed_2i8f 1
18 1 2 . . . . . . . . c551 49 . N parsed_2i8f 1
19 1 1 . . . . . . . . c551 46 . O parsed_2i8f 1
19 1 2 . . . . . . . . c551 50 . N parsed_2i8f 1
20 1 1 . . . . . . . . c551 67 . O parsed_2i8f 1
20 1 2 . . . . . . . . c551 71 . N parsed_2i8f 1
21 1 1 . . . . . . . . c551 68 . O parsed_2i8f 1
21 1 2 . . . . . . . . c551 72 . N parsed_2i8f 1
22 1 1 . . . . . . . . c551 69 . O parsed_2i8f 1
22 1 2 . . . . . . . . c551 73 . N parsed_2i8f 1
23 1 1 . . . . . . . . c551 70 . O parsed_2i8f 1
23 1 2 . . . . . . . . c551 74 . N parsed_2i8f 1
24 1 1 . . . . . . . . c551 71 . O parsed_2i8f 1
24 1 2 . . . . . . . . c551 75 . N parsed_2i8f 1
25 1 1 . . . . . . . . c551 72 . O parsed_2i8f 1
25 1 2 . . . . . . . . c551 76 . N parsed_2i8f 1
26 1 1 . . . . . . . . c551 73 . O parsed_2i8f 1
26 1 2 . . . . . . . . c551 77 . N parsed_2i8f 1
27 1 1 . . . . . . . . c551 74 . O parsed_2i8f 1
27 1 2 . . . . . . . . c551 78 . N parsed_2i8f 1
28 1 1 . . . . . . . . c551 75 . O parsed_2i8f 1
28 1 2 . . . . . . . . c551 79 . N parsed_2i8f 1
29 1 1 . . . . . . . . c551 76 . O parsed_2i8f 1
29 1 2 . . . . . . . . c551 80 . N parsed_2i8f 1
30 1 1 . . . . . . . . c551 56 . NE1 parsed_2i8f 1
30 1 2 . . . . . . . . heme 1 . O1A parsed_2i8f 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.85 2.60 3.10 parsed_2i8f 1
2 1 . . . . . 2.85 2.60 3.10 parsed_2i8f 1
3 1 . . . . . 2.85 2.60 3.10 parsed_2i8f 1
4 1 . . . . . 2.85 2.60 3.10 parsed_2i8f 1
5 1 . . . . . 2.85 2.60 3.10 parsed_2i8f 1
6 1 . . . . . 2.85 2.60 3.10 parsed_2i8f 1
7 1 . . . . . 2.85 2.60 3.10 parsed_2i8f 1
8 1 . . . . . 2.85 2.60 3.10 parsed_2i8f 1
9 1 . . . . . 2.85 2.60 3.10 parsed_2i8f 1
10 1 . . . . . 2.85 2.60 3.10 parsed_2i8f 1
11 1 . . . . . 2.85 2.60 3.10 parsed_2i8f 1
12 1 . . . . . 2.85 2.60 3.10 parsed_2i8f 1
13 1 . . . . . 2.85 2.60 3.10 parsed_2i8f 1
14 1 . . . . . 2.85 2.60 3.10 parsed_2i8f 1
15 1 . . . . . 2.85 2.60 3.10 parsed_2i8f 1
16 1 . . . . . 2.85 2.60 3.10 parsed_2i8f 1
17 1 . . . . . 2.85 2.60 3.10 parsed_2i8f 1
18 1 . . . . . 2.85 2.60 3.10 parsed_2i8f 1
19 1 . . . . . 2.85 2.60 3.10 parsed_2i8f 1
20 1 . . . . . 2.85 2.60 3.10 parsed_2i8f 1
21 1 . . . . . 2.85 2.60 3.10 parsed_2i8f 1
22 1 . . . . . 2.85 2.60 3.10 parsed_2i8f 1
23 1 . . . . . 2.85 2.60 3.10 parsed_2i8f 1
24 1 . . . . . 2.85 2.60 3.10 parsed_2i8f 1
25 1 . . . . . 2.85 2.60 3.10 parsed_2i8f 1
26 1 . . . . . 2.85 2.60 3.10 parsed_2i8f 1
27 1 . . . . . 2.85 2.60 3.10 parsed_2i8f 1
28 1 . . . . . 2.85 2.60 3.10 parsed_2i8f 1
29 1 . . . . . 2.85 2.60 3.10 parsed_2i8f 1
30 1 . . . . . 2.85 2.60 3.10 parsed_2i8f 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1
;
remark h47a_c551_hbres.tbl
remark mainchain hydrogen bond distance restraints
remark manually generated by QL based upon 4 helix domains of c551
CNS version: 1.1 ARIA version:2.0 alpha date: 21-JUL-05 user:
;
2 1 5 69 parsed_2i8f 1
2 "ECHO OFF MESSAGE OFF" 7 1 7 28 parsed_2i8f 1
3 "helix 1" 9 1 9 10 parsed_2i8f 1
4 "helix 2" 28 1 28 10 parsed_2i8f 1
5 "helix 3" 45 1 45 9 parsed_2i8f 1
6 "helix 4" 72 1 72 9 parsed_2i8f 1
7
;
propionate
trp 57 to heme propionate
;
103 1 104 27 parsed_2i8f 1
8 "ECHO ON MESSAGE ON" 109 1 109 26 parsed_2i8f 1
stop_
save_
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