NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
29041 |
1aft   |
cing | 2-parsed | STAR | entry | full | 97 |
data_1aft_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1aft
_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_1aft 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1aft
_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 1aft "Master copy" parsed_1aft
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1aft
_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 1aft.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1aft 1
1 1aft.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1aft 1
1 1aft.mr . . XPLOR/CNS 3 distance NOE simple 61 parsed_1aft 1
1 1aft.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1aft 1
1 1aft.mr . . XPLOR/CNS 5 distance NOE simple 36 parsed_1aft 1
1 1aft.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1aft 1
1 1aft.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1aft 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_1aft
_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 RIBONUCLEOTIDE REDUCTASE 13-MAR-97 1AFT
*TITLE SMALL SUBUNIT C-TERMINAL INHIBITORY PEPTIDE OF MOUSE
*TITLE 2 RIBONUCLEOTIDE REDUCTASE AS BOUND TO THE LARGE SUBUNIT,
*TITLE 3 NMR, 26 STRUCTURES
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE;
*COMPND 3 CHAIN: NULL;
*COMPND 4 FRAGMENT: C-TERMINAL RESIDUES AC-FTLDADF OF SMALL SUBUNIT;
*COMPND 5 EC: 1.17.4.1;
*COMPND 6 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 OTHER_DETAILS: SYNTHESIZED USING FMOC CHEMISTRY
*KEYWDS RIBONUCLEOTIDE REDUCTASE, PEPTIDE INHIBITORS, TRANSFERRED
*KEYWDS 2 NOESY, RESTRAINED MOLECULAR DYNAMICS, NONSTANDARD TYPE I
*KEYWDS 3 TURN
*EXPDTA NMR, 26 STRUCTURES
*AUTHOR P.B.LAUB,A.L.FISHER,G.T.FURST,B.A.BARWIS,C.S.HAMANN,
*AUTHOR 2 B.S.COOPERMAN
*REVDAT 1 15-MAY-97 1AFT 0
;
save_
save_MR_file_comment_2
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1aft
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 2
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
noe
reset
nrestraints 200 !Make this amply big
;
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1aft
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_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_1aft 1
2 1 . . . parsed_1aft 1
3 1 . . . parsed_1aft 1
4 1 . . . parsed_1aft 1
5 1 . . . parsed_1aft 1
6 1 . . . parsed_1aft 1
7 1 . . . parsed_1aft 1
8 1 . . . parsed_1aft 1
9 1 . . . parsed_1aft 1
10 1 . . . parsed_1aft 1
11 1 . . . parsed_1aft 1
12 1 . . . parsed_1aft 1
13 1 . . . parsed_1aft 1
14 1 . . . parsed_1aft 1
15 1 . . . parsed_1aft 1
16 1 . . . parsed_1aft 1
17 1 . . . parsed_1aft 1
18 1 . . . parsed_1aft 1
19 1 . . . parsed_1aft 1
20 1 . . . parsed_1aft 1
21 1 . . . parsed_1aft 1
22 1 . . . parsed_1aft 1
23 1 . . . parsed_1aft 1
24 1 . . . parsed_1aft 1
25 1 . . . parsed_1aft 1
26 1 . . . parsed_1aft 1
27 1 . . . parsed_1aft 1
28 1 . . . parsed_1aft 1
29 1 . . . parsed_1aft 1
30 1 . . . parsed_1aft 1
31 1 . . . parsed_1aft 1
32 1 . . . parsed_1aft 1
33 1 . . . parsed_1aft 1
34 1 . . . parsed_1aft 1
35 1 . . . parsed_1aft 1
36 1 . . . parsed_1aft 1
37 1 . . . parsed_1aft 1
38 1 . . . parsed_1aft 1
39 1 . . . parsed_1aft 1
40 1 . . . parsed_1aft 1
41 1 . . . parsed_1aft 1
42 1 . . . parsed_1aft 1
43 1 . . . parsed_1aft 1
44 1 . . . parsed_1aft 1
45 1 . . . parsed_1aft 1
46 1 . . . parsed_1aft 1
47 1 . . . parsed_1aft 1
48 1 . . . parsed_1aft 1
49 1 . . . parsed_1aft 1
50 1 . . . parsed_1aft 1
51 1 . . . parsed_1aft 1
52 1 . . . parsed_1aft 1
53 1 . . . parsed_1aft 1
54 1 . . . parsed_1aft 1
55 1 . . . parsed_1aft 1
56 1 . . . parsed_1aft 1
57 1 . . . parsed_1aft 1
58 1 . . . parsed_1aft 1
59 1 . . . parsed_1aft 1
60 1 . . . parsed_1aft 1
61 1 . . . parsed_1aft 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 . . . . . . . . . 4 . HN parsed_1aft 1
1 1 2 . . . . . . . . . 5 . HN parsed_1aft 1
2 1 1 . . . . . . . . . 5 . HN parsed_1aft 1
2 1 2 . . . . . . . . . 6 . HN parsed_1aft 1
3 1 1 . . . . . . . . . 6 . HN parsed_1aft 1
3 1 2 . . . . . . . . . 7 . HN parsed_1aft 1
4 1 1 . . . . . . . . . 1 . HD* parsed_1aft 1
4 1 2 . . . . . . . . . 0 . HA* parsed_1aft 1
5 1 1 . . . . . . . . . 1 . HD* parsed_1aft 1
5 1 2 . . . . . . . . . 2 . HG2* parsed_1aft 1
6 1 1 . . . . . . . . . 1 . HE* parsed_1aft 1
6 1 2 . . . . . . . . . 0 . HA* parsed_1aft 1
7 1 1 . . . . . . . . . 1 . HE* parsed_1aft 1
7 1 2 . . . . . . . . . 2 . HG2* parsed_1aft 1
8 1 1 . . . . . . . . . 5 . HB* parsed_1aft 1
8 1 2 . . . . . . . . . 7 . HD* parsed_1aft 1
9 1 1 . . . . . . . . . 5 . HB* parsed_1aft 1
9 1 2 . . . . . . . . . 7 . HE* parsed_1aft 1
10 1 1 . . . . . . . . . 1 . HD* parsed_1aft 1
10 1 2 . . . . . . . . . 3 . HD* parsed_1aft 1
11 1 1 . . . . . . . . . 1 . HE* parsed_1aft 1
11 1 2 . . . . . . . . . 3 . HD* parsed_1aft 1
12 1 1 . . . . . . . . . 1 . HZ parsed_1aft 1
12 1 2 . . . . . . . . . 3 . HD* parsed_1aft 1
13 1 1 . . . . . . . . . 5 . HA parsed_1aft 1
13 1 2 . . . . . . . . . 7 . HN parsed_1aft 1
14 1 1 . . . . . . . . . 1 . HA parsed_1aft 1
14 1 2 . . . . . . . . . 1 . HD* parsed_1aft 1
15 1 1 . . . . . . . . . 1 . HD* parsed_1aft 1
15 1 2 . . . . . . . . . 1 . HN parsed_1aft 1
16 1 1 . . . . . . . . . 1 . HE* parsed_1aft 1
16 1 2 . . . . . . . . . 1 . HN parsed_1aft 1
17 1 1 . . . . . . . . . 2 . HA parsed_1aft 1
17 1 2 . . . . . . . . . 2 . HG2* parsed_1aft 1
18 1 1 . . . . . . . . . 2 . HG2* parsed_1aft 1
18 1 2 . . . . . . . . . 2 . HN parsed_1aft 1
19 1 1 . . . . . . . . . 2 . HB parsed_1aft 1
19 1 2 . . . . . . . . . 2 . HG2* parsed_1aft 1
20 1 1 . . . . . . . . . 3 . HA parsed_1aft 1
20 1 2 . . . . . . . . . 3 . HD* parsed_1aft 1
21 1 1 . . . . . . . . . 3 . HD* parsed_1aft 1
21 1 2 . . . . . . . . . 3 . HN parsed_1aft 1
22 1 1 . . . . . . . . . 5 . HA parsed_1aft 1
22 1 2 . . . . . . . . . 5 . HB* parsed_1aft 1
23 1 1 . . . . . . . . . 5 . HB* parsed_1aft 1
23 1 2 . . . . . . . . . 5 . HN parsed_1aft 1
24 1 1 . . . . . . . . . 7 . HD* parsed_1aft 1
24 1 2 . . . . . . . . . 7 . HA parsed_1aft 1
25 1 1 . . . . . . . . . 7 . HE* parsed_1aft 1
25 1 2 . . . . . . . . . 7 . HN parsed_1aft 1
26 1 1 . . . . . . . . . 7 . HD* parsed_1aft 1
26 1 2 . . . . . . . . . 7 . HN parsed_1aft 1
27 1 1 . . . . . . . . . 6 . HA parsed_1aft 1
27 1 2 . . . . . . . . . 7 . HD* parsed_1aft 1
28 1 1 . . . . . . . . . 1 . HA parsed_1aft 1
28 1 2 . . . . . . . . . 0 . HA* parsed_1aft 1
29 1 1 . . . . . . . . . 1 . HA parsed_1aft 1
29 1 2 . . . . . . . . . 2 . HG2* parsed_1aft 1
30 1 1 . . . . . . . . . 5 . HB* parsed_1aft 1
30 1 2 . . . . . . . . . 6 . HA parsed_1aft 1
31 1 1 . . . . . . . . . 2 . HB parsed_1aft 1
31 1 2 . . . . . . . . . 3 . HD* parsed_1aft 1
32 1 1 . . . . . . . . . 2 . HB parsed_1aft 1
32 1 2 . . . . . . . . . 5 . HB* parsed_1aft 1
33 1 1 . . . . . . . . . 0 . HA* parsed_1aft 1
33 1 2 . . . . . . . . . 1 . HN parsed_1aft 1
34 1 1 . . . . . . . . . 5 . HB* parsed_1aft 1
34 1 2 . . . . . . . . . 6 . HN parsed_1aft 1
35 1 1 . . . . . . . . . 1 . HD* parsed_1aft 1
35 1 2 . . . . . . . . . 2 . HN parsed_1aft 1
36 1 1 . . . . . . . . . 1 . HE* parsed_1aft 1
36 1 2 . . . . . . . . . 2 . HN parsed_1aft 1
37 1 1 . . . . . . . . . 1 . HN parsed_1aft 1
37 1 2 . . . . . . . . . 2 . HG2* parsed_1aft 1
38 1 1 . . . . . . . . . 4 . HN parsed_1aft 1
38 1 2 . . . . . . . . . 5 . HB* parsed_1aft 1
39 1 1 . . . . . . . . . 0 . HA* parsed_1aft 1
39 1 2 . . . . . . . . . 2 . HN parsed_1aft 1
40 1 1 . . . . . . . . . 5 . HB* parsed_1aft 1
40 1 2 . . . . . . . . . 7 . HN parsed_1aft 1
41 1 1 . . . . . . . . . 1 . HD* parsed_1aft 1
41 1 2 . . . . . . . . . 3 . HN parsed_1aft 1
42 1 1 . . . . . . . . . 1 . HN parsed_1aft 1
42 1 2 . . . . . . . . . 3 . HD* parsed_1aft 1
43 1 1 . . . . . . . . . 6 . HA parsed_1aft 1
43 1 2 . . . . . . . . . 6 . HN parsed_1aft 1
44 1 1 . . . . . . . . . 1 . HA parsed_1aft 1
44 1 2 . . . . . . . . . 1 . HN parsed_1aft 1
45 1 1 . . . . . . . . . 4 . HA parsed_1aft 1
45 1 2 . . . . . . . . . 4 . HN parsed_1aft 1
46 1 1 . . . . . . . . . 7 . HA parsed_1aft 1
46 1 2 . . . . . . . . . 7 . HN parsed_1aft 1
47 1 1 . . . . . . . . . 2 . HB parsed_1aft 1
47 1 2 . . . . . . . . . 2 . HN parsed_1aft 1
48 1 1 . . . . . . . . . 5 . HA parsed_1aft 1
48 1 2 . . . . . . . . . 6 . HN parsed_1aft 1
49 1 1 . . . . . . . . . 6 . HA parsed_1aft 1
49 1 2 . . . . . . . . . 7 . HN parsed_1aft 1
50 1 1 . . . . . . . . . 1 . HA parsed_1aft 1
50 1 2 . . . . . . . . . 2 . HN parsed_1aft 1
51 1 1 . . . . . . . . . 4 . HA parsed_1aft 1
51 1 2 . . . . . . . . . 5 . HN parsed_1aft 1
52 1 1 . . . . . . . . . 2 . HB parsed_1aft 1
52 1 2 . . . . . . . . . 3 . HN parsed_1aft 1
53 1 1 . . . . . . . . . 3 . HD* parsed_1aft 1
53 1 2 . . . . . . . . . 4 . HN parsed_1aft 1
54 1 1 . . . . . . . . . 2 . HG2* parsed_1aft 1
54 1 2 . . . . . . . . . 4 . HN parsed_1aft 1
55 1 1 . . . . . . . . . 2 . HG2* parsed_1aft 1
55 1 2 . . . . . . . . . 5 . HN parsed_1aft 1
56 1 1 . . . . . . . . . 5 . HB* parsed_1aft 1
56 1 2 . . . . . . . . . 4 . HN parsed_1aft 1
57 1 1 . . . . . . . . . 3 . HA parsed_1aft 1
57 1 2 . . . . . . . . . 4 . HN parsed_1aft 1
58 1 1 . . . . . . . . . 5 . HB* parsed_1aft 1
58 1 2 . . . . . . . . . 4 . HA parsed_1aft 1
59 1 1 . . . . . . . . . 5 . HB* parsed_1aft 1
59 1 2 . . . . . . . . . 7 . HA parsed_1aft 1
60 1 1 . . . . . . . . . 2 . HB* parsed_1aft 1
60 1 2 . . . . . . . . . 5 . HA parsed_1aft 1
61 1 1 . . . . . . . . . 5 . HB* parsed_1aft 1
61 1 2 . . . . . . . . . 7 . HN parsed_1aft 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 . . . . . 1.80 1.80 3.30 parsed_1aft 1
2 1 . . . . . 1.80 1.80 3.30 parsed_1aft 1
3 1 . . . . . 1.80 1.80 3.30 parsed_1aft 1
4 1 . . . . . 1.80 1.80 3.30 parsed_1aft 1
5 1 . . . . . 1.80 1.80 5.00 parsed_1aft 1
6 1 . . . . . 1.80 1.80 5.00 parsed_1aft 1
7 1 . . . . . 1.80 1.80 6.00 parsed_1aft 1
8 1 . . . . . 1.80 1.80 3.30 parsed_1aft 1
9 1 . . . . . 1.80 1.80 3.30 parsed_1aft 1
10 1 . . . . . 1.80 1.80 3.30 parsed_1aft 1
11 1 . . . . . 1.80 1.80 3.30 parsed_1aft 1
12 1 . . . . . 1.80 1.80 5.00 parsed_1aft 1
13 1 . . . . . 1.80 1.80 5.00 parsed_1aft 1
14 1 . . . . . 1.80 1.80 3.90 parsed_1aft 1
15 1 . . . . . 1.80 1.80 3.30 parsed_1aft 1
16 1 . . . . . 1.80 1.80 5.60 parsed_1aft 1
17 1 . . . . . 1.80 1.80 3.10 parsed_1aft 1
18 1 . . . . . 1.80 1.80 2.70 parsed_1aft 1
19 1 . . . . . 1.80 1.80 2.70 parsed_1aft 1
20 1 . . . . . 1.80 1.80 3.20 parsed_1aft 1
21 1 . . . . . 1.80 1.80 3.30 parsed_1aft 1
22 1 . . . . . 1.80 1.80 2.70 parsed_1aft 1
23 1 . . . . . 1.80 1.80 3.30 parsed_1aft 1
24 1 . . . . . 1.80 1.80 3.90 parsed_1aft 1
25 1 . . . . . 1.80 1.80 5.00 parsed_1aft 1
26 1 . . . . . 1.80 1.80 3.30 parsed_1aft 1
27 1 . . . . . 1.80 1.80 5.00 parsed_1aft 1
28 1 . . . . . 1.80 1.80 4.30 parsed_1aft 1
29 1 . . . . . 1.80 1.80 4.30 parsed_1aft 1
30 1 . . . . . 1.80 1.80 5.00 parsed_1aft 1
31 1 . . . . . 1.80 1.80 6.00 parsed_1aft 1
32 1 . . . . . 1.80 1.80 5.00 parsed_1aft 1
33 1 . . . . . 1.80 1.80 2.70 parsed_1aft 1
34 1 . . . . . 1.80 1.80 2.70 parsed_1aft 1
35 1 . . . . . 1.80 1.80 3.30 parsed_1aft 1
36 1 . . . . . 1.80 1.80 5.00 parsed_1aft 1
37 1 . . . . . 1.80 1.80 5.50 parsed_1aft 1
38 1 . . . . . 1.80 1.80 5.00 parsed_1aft 1
39 1 . . . . . 1.80 1.80 6.00 parsed_1aft 1
40 1 . . . . . 1.80 1.80 3.30 parsed_1aft 1
41 1 . . . . . 1.80 1.80 5.00 parsed_1aft 1
42 1 . . . . . 1.80 1.80 6.30 parsed_1aft 1
43 1 . . . . . 1.80 1.80 2.90 parsed_1aft 1
44 1 . . . . . 1.80 1.80 2.90 parsed_1aft 1
45 1 . . . . . 1.80 1.80 2.90 parsed_1aft 1
46 1 . . . . . 1.80 1.80 2.90 parsed_1aft 1
47 1 . . . . . 1.80 1.80 5.00 parsed_1aft 1
48 1 . . . . . 1.80 1.80 3.30 parsed_1aft 1
49 1 . . . . . 1.80 1.80 3.30 parsed_1aft 1
50 1 . . . . . 1.80 1.80 3.30 parsed_1aft 1
51 1 . . . . . 1.80 1.80 3.30 parsed_1aft 1
52 1 . . . . . 1.80 1.80 5.00 parsed_1aft 1
53 1 . . . . . 1.80 1.80 5.00 parsed_1aft 1
54 1 . . . . . 1.80 1.80 5.50 parsed_1aft 1
55 1 . . . . . 1.80 1.80 5.00 parsed_1aft 1
56 1 . . . . . 1.80 1.80 5.00 parsed_1aft 1
57 1 . . . . . 1.80 1.80 3.30 parsed_1aft 1
58 1 . . . . . 1.80 1.80 6.00 parsed_1aft 1
59 1 . . . . . 1.80 1.80 5.00 parsed_1aft 1
60 1 . . . . . 1.80 1.80 5.00 parsed_1aft 1
61 1 . . . . . 1.80 1.80 3.30 parsed_1aft 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 "r-6 averaging" 1 5 1 21 parsed_1aft 1
stop_
save_
save_MR_file_comment_4
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1aft
_Org_constr_file_comment.ID 3
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 4
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment " CLASS CAVG"
save_
save_CNS/XPLOR_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1aft
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 5
_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_1aft 2
2 1 . . . parsed_1aft 2
3 1 . . . parsed_1aft 2
4 1 . . . parsed_1aft 2
5 1 . . . parsed_1aft 2
6 1 . . . parsed_1aft 2
7 1 . . . parsed_1aft 2
8 1 . . . parsed_1aft 2
9 1 . . . parsed_1aft 2
10 1 . . . parsed_1aft 2
11 1 . . . parsed_1aft 2
12 1 . . . parsed_1aft 2
13 1 . . . parsed_1aft 2
14 1 . . . parsed_1aft 2
15 1 . . . parsed_1aft 2
16 1 . . . parsed_1aft 2
17 1 . . . parsed_1aft 2
18 1 . . . parsed_1aft 2
19 1 . . . parsed_1aft 2
20 1 . . . parsed_1aft 2
21 1 . . . parsed_1aft 2
22 1 . . . parsed_1aft 2
23 1 . . . parsed_1aft 2
24 1 . . . parsed_1aft 2
25 1 . . . parsed_1aft 2
26 1 . . . parsed_1aft 2
27 1 . . . parsed_1aft 2
28 1 . . . parsed_1aft 2
29 1 . . . parsed_1aft 2
30 1 . . . parsed_1aft 2
31 1 . . . parsed_1aft 2
32 1 . . . parsed_1aft 2
33 1 . . . parsed_1aft 2
34 1 . . . parsed_1aft 2
35 1 . . . parsed_1aft 2
36 1 . . . parsed_1aft 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 . . . . . . . . . 6 . HB* parsed_1aft 2
1 1 2 . . . . . . . . . 7 . HD* parsed_1aft 2
2 1 1 . . . . . . . . . 6 . HB* parsed_1aft 2
2 1 2 . . . . . . . . . 7 . HD* parsed_1aft 2
3 1 1 . . . . . . . . . 5 . HB* parsed_1aft 2
3 1 2 . . . . . . . . . 7 . HB* parsed_1aft 2
4 1 1 . . . . . . . . . 1 . HB* parsed_1aft 2
4 1 2 . . . . . . . . . 0 . HA* parsed_1aft 2
5 1 1 . . . . . . . . . 1 . HB* parsed_1aft 2
5 1 2 . . . . . . . . . 3 . HD* parsed_1aft 2
6 1 1 . . . . . . . . . 1 . HB* parsed_1aft 2
6 1 2 . . . . . . . . . 3 . HD* parsed_1aft 2
7 1 1 . . . . . . . . . 6 . HA parsed_1aft 2
7 1 2 . . . . . . . . . 6 . HB* parsed_1aft 2
8 1 1 . . . . . . . . . 1 . HA parsed_1aft 2
8 1 2 . . . . . . . . . 1 . HB* parsed_1aft 2
9 1 1 . . . . . . . . . 1 . HA parsed_1aft 2
9 1 2 . . . . . . . . . 1 . HB* parsed_1aft 2
10 1 1 . . . . . . . . . 7 . HA parsed_1aft 2
10 1 2 . . . . . . . . . 7 . HB* parsed_1aft 2
11 1 1 . . . . . . . . . 7 . HA parsed_1aft 2
11 1 2 . . . . . . . . . 7 . HB* parsed_1aft 2
12 1 1 . . . . . . . . . 1 . HB* parsed_1aft 2
12 1 2 . . . . . . . . . 1 . HN parsed_1aft 2
13 1 1 . . . . . . . . . 1 . HB* parsed_1aft 2
13 1 2 . . . . . . . . . 1 . HN parsed_1aft 2
14 1 1 . . . . . . . . . 4 . HB* parsed_1aft 2
14 1 2 . . . . . . . . . 4 . HN parsed_1aft 2
15 1 1 . . . . . . . . . 4 . HB* parsed_1aft 2
15 1 2 . . . . . . . . . 4 . HN parsed_1aft 2
16 1 1 . . . . . . . . . 6 . HB* parsed_1aft 2
16 1 2 . . . . . . . . . 6 . HN parsed_1aft 2
17 1 1 . . . . . . . . . 6 . HB* parsed_1aft 2
17 1 2 . . . . . . . . . 6 . HN parsed_1aft 2
18 1 1 . . . . . . . . . 7 . HB* parsed_1aft 2
18 1 2 . . . . . . . . . 7 . HN parsed_1aft 2
19 1 1 . . . . . . . . . 7 . HB* parsed_1aft 2
19 1 2 . . . . . . . . . 7 . HN parsed_1aft 2
20 1 1 . . . . . . . . . 5 . HA parsed_1aft 2
20 1 2 . . . . . . . . . 6 . HB* parsed_1aft 2
21 1 1 . . . . . . . . . 5 . HA parsed_1aft 2
21 1 2 . . . . . . . . . 6 . HB* parsed_1aft 2
22 1 1 . . . . . . . . . 1 . HB* parsed_1aft 2
22 1 2 . . . . . . . . . 2 . HN parsed_1aft 2
23 1 1 . . . . . . . . . 1 . HB* parsed_1aft 2
23 1 2 . . . . . . . . . 2 . HN parsed_1aft 2
24 1 1 . . . . . . . . . 4 . HB* parsed_1aft 2
24 1 2 . . . . . . . . . 5 . HN parsed_1aft 2
25 1 1 . . . . . . . . . 4 . HB* parsed_1aft 2
25 1 2 . . . . . . . . . 5 . HN parsed_1aft 2
26 1 1 . . . . . . . . . 6 . HB* parsed_1aft 2
26 1 2 . . . . . . . . . 7 . HN parsed_1aft 2
27 1 1 . . . . . . . . . 6 . HB* parsed_1aft 2
27 1 2 . . . . . . . . . 7 . HN parsed_1aft 2
28 1 1 . . . . . . . . . 1 . HB* parsed_1aft 2
28 1 2 . . . . . . . . . 1 . HD* parsed_1aft 2
29 1 1 . . . . . . . . . 1 . HB* parsed_1aft 2
29 1 2 . . . . . . . . . 1 . HD* parsed_1aft 2
30 1 1 . . . . . . . . . 1 . HB* parsed_1aft 2
30 1 2 . . . . . . . . . 1 . HE* parsed_1aft 2
31 1 1 . . . . . . . . . 1 . HB* parsed_1aft 2
31 1 2 . . . . . . . . . 1 . HE* parsed_1aft 2
32 1 1 . . . . . . . . . 7 . HB* parsed_1aft 2
32 1 2 . . . . . . . . . 7 . HE* parsed_1aft 2
33 1 1 . . . . . . . . . 7 . HB* parsed_1aft 2
33 1 2 . . . . . . . . . 7 . HE* parsed_1aft 2
34 1 1 . . . . . . . . . 7 . HB* parsed_1aft 2
34 1 2 . . . . . . . . . 7 . HD* parsed_1aft 2
35 1 1 . . . . . . . . . 7 . HB* parsed_1aft 2
35 1 2 . . . . . . . . . 7 . HD* parsed_1aft 2
36 1 1 . . . . . . . . . 4 . HB* parsed_1aft 2
36 1 2 . . . . . . . . . 3 . HA* parsed_1aft 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 . . . . . 1.80 1.80 5.90 parsed_1aft 2
2 1 . . . . . 1.80 1.80 5.90 parsed_1aft 2
3 1 . . . . . 1.80 1.80 5.90 parsed_1aft 2
4 1 . . . . . 1.80 1.80 5.90 parsed_1aft 2
5 1 . . . . . 1.80 1.80 5.90 parsed_1aft 2
6 1 . . . . . 1.80 1.80 5.90 parsed_1aft 2
7 1 . . . . . 1.80 1.80 3.60 parsed_1aft 2
8 1 . . . . . 1.80 1.80 3.60 parsed_1aft 2
9 1 . . . . . 1.80 1.80 3.60 parsed_1aft 2
10 1 . . . . . 1.80 1.80 3.60 parsed_1aft 2
11 1 . . . . . 1.80 1.80 3.60 parsed_1aft 2
12 1 . . . . . 1.80 1.80 3.60 parsed_1aft 2
13 1 . . . . . 1.80 1.80 3.60 parsed_1aft 2
14 1 . . . . . 1.80 1.80 3.60 parsed_1aft 2
15 1 . . . . . 1.80 1.80 3.60 parsed_1aft 2
16 1 . . . . . 1.80 1.80 3.60 parsed_1aft 2
17 1 . . . . . 1.80 1.80 3.60 parsed_1aft 2
18 1 . . . . . 1.80 1.80 4.20 parsed_1aft 2
19 1 . . . . . 1.80 1.80 4.20 parsed_1aft 2
20 1 . . . . . 1.80 1.80 5.90 parsed_1aft 2
21 1 . . . . . 1.80 1.80 5.90 parsed_1aft 2
22 1 . . . . . 1.80 1.80 4.20 parsed_1aft 2
23 1 . . . . . 1.80 1.80 4.20 parsed_1aft 2
24 1 . . . . . 1.80 1.80 4.20 parsed_1aft 2
25 1 . . . . . 1.80 1.80 4.20 parsed_1aft 2
26 1 . . . . . 1.80 1.80 4.20 parsed_1aft 2
27 1 . . . . . 1.80 1.80 4.20 parsed_1aft 2
28 1 . . . . . 1.80 1.80 3.60 parsed_1aft 2
29 1 . . . . . 1.80 1.80 3.60 parsed_1aft 2
30 1 . . . . . 1.80 1.80 5.90 parsed_1aft 2
31 1 . . . . . 1.80 1.80 5.90 parsed_1aft 2
32 1 . . . . . 1.80 1.80 5.90 parsed_1aft 2
33 1 . . . . . 1.80 1.80 5.90 parsed_1aft 2
34 1 . . . . . 1.80 1.80 3.60 parsed_1aft 2
35 1 . . . . . 1.80 1.80 3.60 parsed_1aft 2
36 1 . . . . . 1.80 1.80 5.90 parsed_1aft 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 "center of mass averaging. 0.9 A upper bound slack added." 1 5 1 63 parsed_1aft 2
2 "End of file" 38 5 38 18 parsed_1aft 2
stop_
save_
save_MR_file_comment_6
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1aft
_Org_constr_file_comment.ID 4
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 6
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
aver ravg r-6
aver cavg center
potential * soft !square -> soft
ceiling $ceil
scale * 1 !Never change this
sqconstant * $sqcon
sqexponent * 2 !Never change this
sqoffset * 0 !Never change this
rswitch * 1.5 !used for soft potential
asymptote * 0.5 !seems logical
soexponent * 2 !default
end ! end of NOE statement
;
save_
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