NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
611089 |
5tww   |
30203 | cing | 2-parsed | STAR | entry | full | 66 |
data_5tww_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5tww
_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_5tww 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5tww
_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 5tww "Master copy" parsed_5tww
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5tww
_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 5tww.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5tww 1
1 5tww.mr . . XPLOR/CNS 2 distance NOE simple 46 parsed_5tww 1
1 5tww.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 20 parsed_5tww 1
1 5tww.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5tww 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_5tww
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
*HEADER DE NOVO PROTEIN 14-NOV-16 5TWW
*TITLE ALPHA HELIX NUCLEATION BY A SIMPLE CYCLIC TETRAPEPTIDE
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: CYCLIC PEPTIDE ALA-ALA-ALA-UN1-ALA-ARG-ALA-ALA-ARG-ALA-ALA-
*COMPND 3 ARG-ALA;
*COMPND 4 CHAIN: A;
*COMPND 5 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 4 ORGANISM_TAXID: 9606
*KEYWDS HELIX CAP, DE NOVO PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 5
*AUTHOR H.N.HOANG
*REVDAT 1 14-DEC-16 5TWW 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_5tww
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_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_5tww 1
2 1 . . . parsed_5tww 1
3 1 . . . parsed_5tww 1
4 1 . . . parsed_5tww 1
5 1 . . . parsed_5tww 1
6 1 . . . parsed_5tww 1
7 1 . . . parsed_5tww 1
8 1 . . . parsed_5tww 1
9 1 . . . parsed_5tww 1
10 1 . . . parsed_5tww 1
11 1 . . . parsed_5tww 1
12 1 . . . parsed_5tww 1
13 1 . . . parsed_5tww 1
14 1 . . . parsed_5tww 1
15 1 . . . parsed_5tww 1
16 1 . . . parsed_5tww 1
17 1 . . . parsed_5tww 1
18 1 . . . parsed_5tww 1
19 1 . . . parsed_5tww 1
20 1 . . . parsed_5tww 1
21 1 . . . parsed_5tww 1
22 1 . . . parsed_5tww 1
23 1 . . . parsed_5tww 1
24 1 . . . parsed_5tww 1
25 1 . . . parsed_5tww 1
26 1 . . . parsed_5tww 1
27 1 . . . parsed_5tww 1
28 1 . . . parsed_5tww 1
29 1 . . . parsed_5tww 1
30 1 . . . parsed_5tww 1
31 1 . . . parsed_5tww 1
32 1 . . . parsed_5tww 1
33 1 . . . parsed_5tww 1
34 1 . . . parsed_5tww 1
35 1 . . . parsed_5tww 1
36 1 . . . parsed_5tww 1
37 1 . . . parsed_5tww 1
38 1 . . . parsed_5tww 1
39 1 . . . parsed_5tww 1
40 1 . . . parsed_5tww 1
41 1 . . . parsed_5tww 1
42 1 . . . parsed_5tww 1
43 1 . . . parsed_5tww 1
44 1 . . . parsed_5tww 1
45 1 . . . parsed_5tww 1
46 1 . . . parsed_5tww 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 . . . . . . . . . 1 . HA parsed_5tww 1
1 1 2 . . . . . . . . . 2 . HN parsed_5tww 1
2 1 1 . . . . . . . . . 1 . HA parsed_5tww 1
2 1 2 . . . . . . . . . 4 . HN parsed_5tww 1
3 1 1 . . . . . . . . . 1 . HA parsed_5tww 1
3 1 2 . . . . . . . . . 5 . HN parsed_5tww 1
4 1 1 . . . . . . . . . 1 . HN parsed_5tww 1
4 1 2 . . . . . . . . . 2 . HN parsed_5tww 1
5 1 1 . . . . . . . . . 1 . HN parsed_5tww 1
5 1 2 . . . . . . . . . 3 . HN parsed_5tww 1
6 1 1 . . . . . . . . . 1 . HN parsed_5tww 1
6 1 2 . . . . . . . . . 4 . HD1 parsed_5tww 1
7 1 1 . . . . . . . . . 1 . HN parsed_5tww 1
7 1 2 . . . . . . . . . 4 . HD2 parsed_5tww 1
8 1 1 . . . . . . . . . 1 . HN parsed_5tww 1
8 1 2 . . . . . . . . . 4 . HG* parsed_5tww 1
9 1 1 . . . . . . . . . 2 . HA parsed_5tww 1
9 1 2 . . . . . . . . . 5 . HN parsed_5tww 1
10 1 1 . . . . . . . . . 2 . HA parsed_5tww 1
10 1 2 . . . . . . . . . 6 . HN parsed_5tww 1
11 1 1 . . . . . . . . . 2 . HA parsed_5tww 1
11 1 2 . . . . . . . . . 3 . HN parsed_5tww 1
12 1 1 . . . . . . . . . 2 . HN parsed_5tww 1
12 1 2 . . . . . . . . . 3 . HN parsed_5tww 1
13 1 1 . . . . . . . . . 2 . HN parsed_5tww 1
13 1 2 . . . . . . . . . 1 . HB* parsed_5tww 1
14 1 1 . . . . . . . . . 3 . HA parsed_5tww 1
14 1 2 . . . . . . . . . 4 . HN parsed_5tww 1
15 1 1 . . . . . . . . . 3 . HA parsed_5tww 1
15 1 2 . . . . . . . . . 6 . HN parsed_5tww 1
16 1 1 . . . . . . . . . 3 . HN parsed_5tww 1
16 1 2 . . . . . . . . . 4 . HN parsed_5tww 1
17 1 1 . . . . . . . . . 3 . HN parsed_5tww 1
17 1 2 . . . . . . . . . 1 . HB* parsed_5tww 1
18 1 1 . . . . . . . . . 3 . HN parsed_5tww 1
18 1 2 . . . . . . . . . 2 . HB* parsed_5tww 1
19 1 1 . . . . . . . . . 4 . HA parsed_5tww 1
19 1 2 . . . . . . . . . 5 . HN parsed_5tww 1
20 1 1 . . . . . . . . . 4 . HA parsed_5tww 1
20 1 2 . . . . . . . . . 7 . HN parsed_5tww 1
21 1 1 . . . . . . . . . 4 . HN parsed_5tww 1
21 1 2 . . . . . . . . . 5 . HN parsed_5tww 1
22 1 1 . . . . . . . . . 4 . HN parsed_5tww 1
22 1 2 . . . . . . . . . 3 . HB* parsed_5tww 1
23 1 1 . . . . . . . . . 5 . HA parsed_5tww 1
23 1 2 . . . . . . . . . 8 . HN parsed_5tww 1
24 1 1 . . . . . . . . . 5 . HA parsed_5tww 1
24 1 2 . . . . . . . . . 9 . HN parsed_5tww 1
25 1 1 . . . . . . . . . 5 . HA parsed_5tww 1
25 1 2 . . . . . . . . . 6 . HN parsed_5tww 1
26 1 1 . . . . . . . . . 5 . HN parsed_5tww 1
26 1 2 . . . . . . . . . 6 . HN parsed_5tww 1
27 1 1 . . . . . . . . . 6 . HA parsed_5tww 1
27 1 2 . . . . . . . . . 9 . HN parsed_5tww 1
28 1 1 . . . . . . . . . 7 . HA parsed_5tww 1
28 1 2 . . . . . . . . . 10 . HN parsed_5tww 1
29 1 1 . . . . . . . . . 7 . HA parsed_5tww 1
29 1 2 . . . . . . . . . 8 . HN parsed_5tww 1
30 1 1 . . . . . . . . . 8 . HA parsed_5tww 1
30 1 2 . . . . . . . . . 11 . HN parsed_5tww 1
31 1 1 . . . . . . . . . 8 . HA parsed_5tww 1
31 1 2 . . . . . . . . . 9 . HN parsed_5tww 1
32 1 1 . . . . . . . . . 8 . HN parsed_5tww 1
32 1 2 . . . . . . . . . 9 . HN parsed_5tww 1
33 1 1 . . . . . . . . . 9 . HA parsed_5tww 1
33 1 2 . . . . . . . . . 10 . HN parsed_5tww 1
34 1 1 . . . . . . . . . 9 . HA parsed_5tww 1
34 1 2 . . . . . . . . . 12 . HN parsed_5tww 1
35 1 1 . . . . . . . . . 9 . HN parsed_5tww 1
35 1 2 . . . . . . . . . 10 . HN parsed_5tww 1
36 1 1 . . . . . . . . . 9 . HN parsed_5tww 1
36 1 2 . . . . . . . . . 7 . HB* parsed_5tww 1
37 1 1 . . . . . . . . . 10 . HA parsed_5tww 1
37 1 2 . . . . . . . . . 13 . HN parsed_5tww 1
38 1 1 . . . . . . . . . 10 . HA parsed_5tww 1
38 1 2 . . . . . . . . . 11 . HN parsed_5tww 1
39 1 1 . . . . . . . . . 10 . HN parsed_5tww 1
39 1 2 . . . . . . . . . 11 . HN parsed_5tww 1
40 1 1 . . . . . . . . . 10 . HN parsed_5tww 1
40 1 2 . . . . . . . . . 8 . HB* parsed_5tww 1
41 1 1 . . . . . . . . . 11 . HA parsed_5tww 1
41 1 2 . . . . . . . . . 12 . HN parsed_5tww 1
42 1 1 . . . . . . . . . 12 . HA parsed_5tww 1
42 1 2 . . . . . . . . . 13 . HN parsed_5tww 1
43 1 1 . . . . . . . . . 12 . HN parsed_5tww 1
43 1 2 . . . . . . . . . 13 . HN parsed_5tww 1
44 1 1 . . . . . . . . . 13 . HA parsed_5tww 1
44 1 2 . . . . . . . . . 13 . H1 parsed_5tww 1
45 1 1 . . . . . . . . . 13 . HN parsed_5tww 1
45 1 2 . . . . . . . . . 13 . H1 parsed_5tww 1
46 1 1 . . . . . . . . . 13 . HN parsed_5tww 1
46 1 2 . . . . . . . . . 12 . HB* parsed_5tww 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 . . . . . 0.0 0.0 5.0 parsed_5tww 1
2 1 . . . . . 0.0 0.0 6.0 parsed_5tww 1
3 1 . . . . . 0.0 0.0 6.0 parsed_5tww 1
4 1 . . . . . 0.0 0.0 6.0 parsed_5tww 1
5 1 . . . . . 0.0 0.0 6.0 parsed_5tww 1
6 1 . . . . . 0.0 0.0 2.7 parsed_5tww 1
7 1 . . . . . 0.0 0.0 5.0 parsed_5tww 1
8 1 . . . . . 0.0 0.0 6.0 parsed_5tww 1
9 1 . . . . . 0.0 0.0 5.0 parsed_5tww 1
10 1 . . . . . 0.0 0.0 6.0 parsed_5tww 1
11 1 . . . . . 0.0 0.0 3.5 parsed_5tww 1
12 1 . . . . . 0.0 0.0 3.5 parsed_5tww 1
13 1 . . . . . 0.0 0.0 5.0 parsed_5tww 1
14 1 . . . . . 0.0 0.0 3.5 parsed_5tww 1
15 1 . . . . . 0.0 0.0 5.0 parsed_5tww 1
16 1 . . . . . 0.0 0.0 3.5 parsed_5tww 1
17 1 . . . . . 0.0 0.0 6.0 parsed_5tww 1
18 1 . . . . . 0.0 0.0 6.0 parsed_5tww 1
19 1 . . . . . 0.0 0.0 5.0 parsed_5tww 1
20 1 . . . . . 0.0 0.0 5.0 parsed_5tww 1
21 1 . . . . . 0.0 0.0 5.0 parsed_5tww 1
22 1 . . . . . 0.0 0.0 6.0 parsed_5tww 1
23 1 . . . . . 0.0 0.0 5.0 parsed_5tww 1
24 1 . . . . . 0.0 0.0 6.0 parsed_5tww 1
25 1 . . . . . 0.0 0.0 5.0 parsed_5tww 1
26 1 . . . . . 0.0 0.0 5.0 parsed_5tww 1
27 1 . . . . . 0.0 0.0 5.0 parsed_5tww 1
28 1 . . . . . 0.0 0.0 5.0 parsed_5tww 1
29 1 . . . . . 0.0 0.0 5.0 parsed_5tww 1
30 1 . . . . . 0.0 0.0 6.0 parsed_5tww 1
31 1 . . . . . 0.0 0.0 5.0 parsed_5tww 1
32 1 . . . . . 0.0 0.0 5.0 parsed_5tww 1
33 1 . . . . . 0.0 0.0 3.5 parsed_5tww 1
34 1 . . . . . 0.0 0.0 5.0 parsed_5tww 1
35 1 . . . . . 0.0 0.0 6.0 parsed_5tww 1
36 1 . . . . . 0.0 0.0 6.0 parsed_5tww 1
37 1 . . . . . 0.0 0.0 5.0 parsed_5tww 1
38 1 . . . . . 0.0 0.0 5.0 parsed_5tww 1
39 1 . . . . . 0.0 0.0 6.0 parsed_5tww 1
40 1 . . . . . 0.0 0.0 6.0 parsed_5tww 1
41 1 . . . . . 0.0 0.0 5.0 parsed_5tww 1
42 1 . . . . . 0.0 0.0 3.5 parsed_5tww 1
43 1 . . . . . 0.0 0.0 5.0 parsed_5tww 1
44 1 . . . . . 0.0 0.0 3.5 parsed_5tww 1
45 1 . . . . . 0.0 0.0 5.0 parsed_5tww 1
46 1 . . . . . 0.0 0.0 6.0 parsed_5tww 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
;
ARAhomoE-NH2 NOE Assignment Table (from visual inspection)
Cyclic arahomoE-NH2
ala1
;
2 1 6 6 parsed_5tww 1
2 (4)w 7 83 7 89 parsed_5tww 1
3 "(4)w ov" 8 83 8 92 parsed_5tww 1
4 "(1)vw ov" 9 83 9 93 parsed_5tww 1
5 (1)vw 10 83 10 90 parsed_5tww 1
6 (1)vw 11 83 11 90 parsed_5tww 1
7 (11)s 12 83 12 90 parsed_5tww 1
8 (w 13 83 13 87 parsed_5tww 1
9
;
(w
ARG2
;
14 83 19 6 parsed_5tww 1
10 "(5) m to w" 20 83 20 95 parsed_5tww 1
11 (1)VW 21 83 21 91 parsed_5tww 1
12 "(6) m" 22 83 22 91 parsed_5tww 1
13 (6)m 23 83 23 89 parsed_5tww 1
14
;
(6)m
ALA3
;
24 83 27 6 parsed_5tww 1
15 "(5) m" 28 83 28 91 parsed_5tww 1
16 "(5) m ov make to w" 29 83 29 103 parsed_5tww 1
17 (6)m 30 83 30 89 parsed_5tww 1
18 homoGlu4 32 83 37 10 parsed_5tww 1
19 "(7)s make to m to w" 38 83 38 104 parsed_5tww 1
20 (3)w 39 83 39 89 parsed_5tww 1
21 (4)w 40 83 40 89 parsed_5tww 1
22
;
(4)w
ALA5
;
41 83 45 6 parsed_5tww 1
23 (3)w 47 83 47 89 parsed_5tww 1
24 (1)w 48 83 48 89 parsed_5tww 1
25 "(5)m, ov" 49 83 49 93 parsed_5tww 1
26
;
(5)m
ARG6
;
50 83 54 6 parsed_5tww 1
27
;
(5)m to w
ALA7
;
56 83 59 6 parsed_5tww 1
28 "(5)m to w" 61 83 61 94 parsed_5tww 1
29
;
(4)w
ALA8
;
62 83 64 6 parsed_5tww 1
30 (2)vw 66 83 66 90 parsed_5tww 1
31 (4)w 67 83 67 89 parsed_5tww 1
32
;
(4)w
ARG9
;
68 83 73 6 parsed_5tww 1
33 "(6) m" 75 83 75 90 parsed_5tww 1
34 "(3) w" 76 83 76 90 parsed_5tww 1
35 (2)vw 77 83 77 90 parsed_5tww 1
36 ALA10 78 83 81 7 parsed_5tww 1
37 "(3) w ov" 82 83 82 93 parsed_5tww 1
38 "(4) w" 83 83 83 90 parsed_5tww 1
39 (2)vw 84 83 84 90 parsed_5tww 1
40 ALA11 85 83 90 7 parsed_5tww 1
41
;
(4) w
ARG12
;
91 83 93 7 parsed_5tww 1
42 "(6) m" 94 83 94 90 parsed_5tww 1
43
;
(4)w
ALA13
;
95 83 97 7 parsed_5tww 1
44 "(6) m" 99 83 99 90 parsed_5tww 1
45 "(4) w" 101 83 101 90 parsed_5tww 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "# Restraints file 1: noetable_hECapPep.tbl" 1 1 1 42 parsed_5tww 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_5tww
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_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_5tww 2
2 1 . . . parsed_5tww 2
3 1 . . . parsed_5tww 2
4 1 . . . parsed_5tww 2
5 1 . . . parsed_5tww 2
6 1 . . . parsed_5tww 2
7 1 . . . parsed_5tww 2
8 1 . . . parsed_5tww 2
9 1 . . . parsed_5tww 2
10 1 . . . parsed_5tww 2
11 1 . . . parsed_5tww 2
12 1 . . . parsed_5tww 2
13 1 . . . parsed_5tww 2
14 1 . . . parsed_5tww 2
15 1 . . . parsed_5tww 2
16 1 . . . parsed_5tww 2
17 1 . . . parsed_5tww 2
18 1 . . . parsed_5tww 2
19 1 . . . parsed_5tww 2
20 1 . . . parsed_5tww 2
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 . . . . . . . . . 1 . O parsed_5tww 2
1 1 2 . . . . . . . . . 5 . HN parsed_5tww 2
2 1 1 . . . . . . . . . 1 . O parsed_5tww 2
2 1 2 . . . . . . . . . 5 . N parsed_5tww 2
3 1 1 . . . . . . . . . 3 . O parsed_5tww 2
3 1 2 . . . . . . . . . 7 . HN parsed_5tww 2
4 1 1 . . . . . . . . . 3 . O parsed_5tww 2
4 1 2 . . . . . . . . . 7 . N parsed_5tww 2
5 1 1 . . . . . . . . . 4 . O parsed_5tww 2
5 1 2 . . . . . . . . . 8 . HN parsed_5tww 2
6 1 1 . . . . . . . . . 4 . O parsed_5tww 2
6 1 2 . . . . . . . . . 8 . N parsed_5tww 2
7 1 1 . . . . . . . . . 6 . O parsed_5tww 2
7 1 2 . . . . . . . . . 10 . HN parsed_5tww 2
8 1 1 . . . . . . . . . 6 . O parsed_5tww 2
8 1 2 . . . . . . . . . 10 . N parsed_5tww 2
9 1 1 . . . . . . . . . 9 . O parsed_5tww 2
9 1 2 . . . . . . . . . 13 . HN parsed_5tww 2
10 1 1 . . . . . . . . . 9 . O parsed_5tww 2
10 1 2 . . . . . . . . . 13 . N parsed_5tww 2
11 1 1 . . . . . . . . . 10 . O parsed_5tww 2
11 1 2 . . . . . . . . . 13 . H1 parsed_5tww 2
12 1 1 . . . . . . . . . 10 . O parsed_5tww 2
12 1 2 . . . . . . . . . 13 . NT parsed_5tww 2
13 1 1 . . . . . . . . . 5 . O parsed_5tww 2
13 1 2 . . . . . . . . . 9 . HN parsed_5tww 2
14 1 1 . . . . . . . . . 5 . O parsed_5tww 2
14 1 2 . . . . . . . . . 9 . N parsed_5tww 2
15 1 1 . . . . . . . . . 2 . O parsed_5tww 2
15 1 2 . . . . . . . . . 6 . HN parsed_5tww 2
16 1 1 . . . . . . . . . 2 . O parsed_5tww 2
16 1 2 . . . . . . . . . 6 . N parsed_5tww 2
17 1 1 . . . . . . . . . 8 . O parsed_5tww 2
17 1 2 . . . . . . . . . 12 . HN parsed_5tww 2
18 1 1 . . . . . . . . . 8 . O parsed_5tww 2
18 1 2 . . . . . . . . . 12 . N parsed_5tww 2
19 1 1 . . . . . . . . . 7 . O parsed_5tww 2
19 1 2 . . . . . . . . . 11 . HN parsed_5tww 2
20 1 1 . . . . . . . . . 7 . O parsed_5tww 2
20 1 2 . . . . . . . . . 11 . N parsed_5tww 2
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 . . . . . 2.00 1.70 2.42 parsed_5tww 2
2 1 . . . . . 3.00 2.70 3.42 parsed_5tww 2
3 1 . . . . . 2.00 1.70 2.42 parsed_5tww 2
4 1 . . . . . 3.00 2.70 3.42 parsed_5tww 2
5 1 . . . . . 2.00 1.70 2.42 parsed_5tww 2
6 1 . . . . . 3.00 2.70 3.42 parsed_5tww 2
7 1 . . . . . 2.00 1.70 2.42 parsed_5tww 2
8 1 . . . . . 3.00 2.70 3.42 parsed_5tww 2
9 1 . . . . . 2.00 1.70 2.42 parsed_5tww 2
10 1 . . . . . 3.00 2.70 3.42 parsed_5tww 2
11 1 . . . . . 2.00 1.70 2.42 parsed_5tww 2
12 1 . . . . . 3.00 2.70 3.42 parsed_5tww 2
13 1 . . . . . 2.00 1.70 2.42 parsed_5tww 2
14 1 . . . . . 3.00 2.70 3.42 parsed_5tww 2
15 1 . . . . . 2.00 1.70 2.42 parsed_5tww 2
16 1 . . . . . 3.00 2.70 3.42 parsed_5tww 2
17 1 . . . . . 2.00 1.70 2.42 parsed_5tww 2
18 1 . . . . . 3.00 2.70 3.42 parsed_5tww 2
19 1 . . . . . 2.00 1.70 2.52 parsed_5tww 2
20 1 . . . . . 3.00 2.70 3.52 parsed_5tww 2
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 H-Bonds 1 1 1 9 parsed_5tww 2
stop_
save_
Contact the webmaster for help, if required. Friday, May 10, 2024 6:20:09 PM GMT (wattos1)