NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
36449 |
1nkf   |
cing | 2-parsed | STAR | entry | full | 77 |
data_1nkf_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1nkf
_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_1nkf 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1nkf
_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 1nkf "Master copy" parsed_1nkf
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1nkf
_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 1nkf.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1nkf 1
1 1nkf.mr . . XPLOR/CNS 2 distance NOE simple 63 parsed_1nkf 1
1 1nkf.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 14 parsed_1nkf 1
1 1nkf.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1nkf 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_1nkf
_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 CALCIUM-BINDING 09-MAR-98 1NKF
*TITLE CALCIUM-BINDING PEPTIDE, NMR, 30 STRUCTURES
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: CALCIUM-BINDING HEXADECAPEPTIDE;
*COMPND 3 CHAIN: NULL;
*COMPND 4 SYNONYM: CALMODULIN;
*COMPND 5 ENGINEERED: YES;
*COMPND 6 MUTATION: D5N;
*COMPND 7 OTHER_DETAILS: LA3+ ION BOUND
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: SYNTHESIZED BY F-MOC CHEMISTRY;
*SOURCE 3 FRAGMENT: RESIDUES 1 - 12;
*SOURCE 4 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 5 ORGANISM_COMMON: HUMAN
*KEYWDS EF HAND CALCIUM BINDING LOOP, ALPHA-HELIX, NMR STRUCTURE,
*KEYWDS 2 CALCIUM-BINDING
*EXPDTA NMR, 30 STRUCTURES
*AUTHOR H.STICHT,A.EJCHART
*REVDAT 1 12-OCT-04 1NKF 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1nkf
_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_1nkf 1
2 1 . . . parsed_1nkf 1
3 1 . . . parsed_1nkf 1
4 1 . . . parsed_1nkf 1
5 1 . . . parsed_1nkf 1
6 1 . . . parsed_1nkf 1
7 1 . . . parsed_1nkf 1
8 1 . . . parsed_1nkf 1
9 1 . . . parsed_1nkf 1
10 1 . . . parsed_1nkf 1
11 1 . . . parsed_1nkf 1
12 1 . . . parsed_1nkf 1
13 1 . . . parsed_1nkf 1
14 1 . . . parsed_1nkf 1
15 1 . . . parsed_1nkf 1
16 1 . . . parsed_1nkf 1
17 1 . . . parsed_1nkf 1
18 1 . . . parsed_1nkf 1
19 1 . . . parsed_1nkf 1
20 1 . . . parsed_1nkf 1
21 1 . . . parsed_1nkf 1
22 1 . . . parsed_1nkf 1
23 1 . . . parsed_1nkf 1
24 1 . . . parsed_1nkf 1
25 1 . . . parsed_1nkf 1
26 1 . . . parsed_1nkf 1
27 1 . . . parsed_1nkf 1
28 1 . . . parsed_1nkf 1
29 1 . . . parsed_1nkf 1
30 1 . . . parsed_1nkf 1
31 1 . . . parsed_1nkf 1
32 1 . . . parsed_1nkf 1
33 1 . . . parsed_1nkf 1
34 1 . . . parsed_1nkf 1
35 1 . . . parsed_1nkf 1
36 1 . . . parsed_1nkf 1
37 1 . . . parsed_1nkf 1
38 1 . . . parsed_1nkf 1
39 1 . . . parsed_1nkf 1
40 1 . . . parsed_1nkf 1
41 1 . . . parsed_1nkf 1
42 1 . . . parsed_1nkf 1
43 1 . . . parsed_1nkf 1
44 1 . . . parsed_1nkf 1
45 1 . . . parsed_1nkf 1
46 1 . . . parsed_1nkf 1
47 1 . . . parsed_1nkf 1
48 1 . . . parsed_1nkf 1
49 1 . . . parsed_1nkf 1
50 1 . . . parsed_1nkf 1
51 1 . . . parsed_1nkf 1
52 1 . . . parsed_1nkf 1
53 1 . . . parsed_1nkf 1
54 1 . . . parsed_1nkf 1
55 1 . . . parsed_1nkf 1
56 1 . . . parsed_1nkf 1
57 1 . . . parsed_1nkf 1
58 1 . . . parsed_1nkf 1
59 1 . . . parsed_1nkf 1
60 1 . . . parsed_1nkf 1
61 1 . . . parsed_1nkf 1
62 1 . . . parsed_1nkf 1
63 1 . . . parsed_1nkf 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 . . . . . . . . . 16 . HN parsed_1nkf 1
1 1 2 . . . . . . . . . 16 . HE21 parsed_1nkf 1
2 1 1 . . . . . . . . . 16 . HN parsed_1nkf 1
2 1 2 . . . . . . . . . 16 . HE22 parsed_1nkf 1
3 1 1 . . . . . . . . . 7 . HB1 parsed_1nkf 1
3 1 2 . . . . . . . . . 7 . HD* parsed_1nkf 1
4 1 1 . . . . . . . . . 7 . HB2 parsed_1nkf 1
4 1 2 . . . . . . . . . 7 . HD* parsed_1nkf 1
5 1 1 . . . . . . . . . 7 . HD* parsed_1nkf 1
5 1 2 . . . . . . . . . 7 . HA parsed_1nkf 1
6 1 1 . . . . . . . . . 7 . HD* parsed_1nkf 1
6 1 2 . . . . . . . . . 7 . HB1 parsed_1nkf 1
7 1 1 . . . . . . . . . 7 . HD* parsed_1nkf 1
7 1 2 . . . . . . . . . 7 . HB2 parsed_1nkf 1
8 1 1 . . . . . . . . . 7 . HD* parsed_1nkf 1
8 1 2 . . . . . . . . . 7 . HN parsed_1nkf 1
9 1 1 . . . . . . . . . 7 . HN parsed_1nkf 1
9 1 2 . . . . . . . . . 7 . HD* parsed_1nkf 1
10 1 1 . . . . . . . . . 9 . HA parsed_1nkf 1
10 1 2 . . . . . . . . . 10 . HN parsed_1nkf 1
11 1 1 . . . . . . . . . 9 . HB1 parsed_1nkf 1
11 1 2 . . . . . . . . . 10 . HN parsed_1nkf 1
12 1 1 . . . . . . . . . 9 . HB2 parsed_1nkf 1
12 1 2 . . . . . . . . . 8 . HG2* parsed_1nkf 1
13 1 1 . . . . . . . . . 9 . HN parsed_1nkf 1
13 1 2 . . . . . . . . . 8 . HG1* parsed_1nkf 1
14 1 1 . . . . . . . . . 10 . HN parsed_1nkf 1
14 1 2 . . . . . . . . . 9 . HB2 parsed_1nkf 1
15 1 1 . . . . . . . . . 10 . HN parsed_1nkf 1
15 1 2 . . . . . . . . . 11 . HN parsed_1nkf 1
16 1 1 . . . . . . . . . 11 . HB* parsed_1nkf 1
16 1 2 . . . . . . . . . 12 . HN parsed_1nkf 1
17 1 1 . . . . . . . . . 11 . HN parsed_1nkf 1
17 1 2 . . . . . . . . . 12 . HN parsed_1nkf 1
18 1 1 . . . . . . . . . 11 . HN parsed_1nkf 1
18 1 2 . . . . . . . . . 10 . HB* parsed_1nkf 1
19 1 1 . . . . . . . . . 12 . HN parsed_1nkf 1
19 1 2 . . . . . . . . . 13 . HN parsed_1nkf 1
20 1 1 . . . . . . . . . 13 . HB* parsed_1nkf 1
20 1 2 . . . . . . . . . 14 . HN parsed_1nkf 1
21 1 1 . . . . . . . . . 13 . HN parsed_1nkf 1
21 1 2 . . . . . . . . . 12 . HA parsed_1nkf 1
22 1 1 . . . . . . . . . 13 . HN parsed_1nkf 1
22 1 2 . . . . . . . . . 12 . HG2 parsed_1nkf 1
23 1 1 . . . . . . . . . 13 . HN parsed_1nkf 1
23 1 2 . . . . . . . . . 14 . HN parsed_1nkf 1
24 1 1 . . . . . . . . . 14 . HN parsed_1nkf 1
24 1 2 . . . . . . . . . 15 . HN parsed_1nkf 1
25 1 1 . . . . . . . . . 15 . HN parsed_1nkf 1
25 1 2 . . . . . . . . . 16 . HE22 parsed_1nkf 1
26 1 1 . . . . . . . . . 15 . HN parsed_1nkf 1
26 1 2 . . . . . . . . . 16 . HN parsed_1nkf 1
27 1 1 . . . . . . . . . 16 . HN parsed_1nkf 1
27 1 2 . . . . . . . . . 15 . HA parsed_1nkf 1
28 1 1 . . . . . . . . . 16 . HN parsed_1nkf 1
28 1 2 . . . . . . . . . 15 . HB* parsed_1nkf 1
29 1 1 . . . . . . . . . 1 . HA parsed_1nkf 1
29 1 2 . . . . . . . . . 2 . HN parsed_1nkf 1
30 1 1 . . . . . . . . . 3 . HN parsed_1nkf 1
30 1 2 . . . . . . . . . 2 . HA parsed_1nkf 1
31 1 1 . . . . . . . . . 3 . HN parsed_1nkf 1
31 1 2 . . . . . . . . . 2 . HN parsed_1nkf 1
32 1 1 . . . . . . . . . 4 . HN parsed_1nkf 1
32 1 2 . . . . . . . . . 3 . HA parsed_1nkf 1
33 1 1 . . . . . . . . . 4 . HN parsed_1nkf 1
33 1 2 . . . . . . . . . 5 . HN parsed_1nkf 1
34 1 1 . . . . . . . . . 5 . HN parsed_1nkf 1
34 1 2 . . . . . . . . . 4 . HA2 parsed_1nkf 1
35 1 1 . . . . . . . . . 5 . HN parsed_1nkf 1
35 1 2 . . . . . . . . . 6 . HN parsed_1nkf 1
36 1 1 . . . . . . . . . 6 . HN parsed_1nkf 1
36 1 2 . . . . . . . . . 5 . HA parsed_1nkf 1
37 1 1 . . . . . . . . . 6 . HN parsed_1nkf 1
37 1 2 . . . . . . . . . 7 . HN parsed_1nkf 1
38 1 1 . . . . . . . . . 7 . HN parsed_1nkf 1
38 1 2 . . . . . . . . . 6 . HA1 parsed_1nkf 1
39 1 1 . . . . . . . . . 8 . HG2* parsed_1nkf 1
39 1 2 . . . . . . . . . 9 . HN parsed_1nkf 1
40 1 1 . . . . . . . . . 8 . HN parsed_1nkf 1
40 1 2 . . . . . . . . . 7 . HA parsed_1nkf 1
41 1 1 . . . . . . . . . 8 . HN parsed_1nkf 1
41 1 2 . . . . . . . . . 7 . HB1 parsed_1nkf 1
42 1 1 . . . . . . . . . 9 . HN parsed_1nkf 1
42 1 2 . . . . . . . . . 12 . HB2 parsed_1nkf 1
43 1 1 . . . . . . . . . 9 . HN parsed_1nkf 1
43 1 2 . . . . . . . . . 12 . HG2 parsed_1nkf 1
44 1 1 . . . . . . . . . 11 . HN parsed_1nkf 1
44 1 2 . . . . . . . . . 9 . HB1 parsed_1nkf 1
45 1 1 . . . . . . . . . 12 . HA parsed_1nkf 1
45 1 2 . . . . . . . . . 15 . HN parsed_1nkf 1
46 1 1 . . . . . . . . . 12 . HA parsed_1nkf 1
46 1 2 . . . . . . . . . 15 . HB* parsed_1nkf 1
47 1 1 . . . . . . . . . 12 . HB2 parsed_1nkf 1
47 1 2 . . . . . . . . . 8 . HG2* parsed_1nkf 1
48 1 1 . . . . . . . . . 12 . HG2 parsed_1nkf 1
48 1 2 . . . . . . . . . 8 . HG2* parsed_1nkf 1
49 1 1 . . . . . . . . . 12 . HN parsed_1nkf 1
49 1 2 . . . . . . . . . 9 . HB1 parsed_1nkf 1
50 1 1 . . . . . . . . . 12 . HN parsed_1nkf 1
50 1 2 . . . . . . . . . 9 . HN parsed_1nkf 1
51 1 1 . . . . . . . . . 13 . HN parsed_1nkf 1
51 1 2 . . . . . . . . . 11 . HN parsed_1nkf 1
52 1 1 . . . . . . . . . 13 . HN parsed_1nkf 1
52 1 2 . . . . . . . . . 10 . HA parsed_1nkf 1
53 1 1 . . . . . . . . . 15 . HN parsed_1nkf 1
53 1 2 . . . . . . . . . 11 . HA parsed_1nkf 1
54 1 1 . . . . . . . . . 3 . HN parsed_1nkf 1
54 1 2 . . . . . . . . . 5 . HN parsed_1nkf 1
55 1 1 . . . . . . . . . 16 . HG2 parsed_1nkf 1
55 1 2 . . . . . . . . . 8 . HG2* parsed_1nkf 1
56 1 1 . . . . . . . . . 1 . HN parsed_1nkf 1
56 1 2 . . . . . . . . . 8 . HD* parsed_1nkf 1
57 1 1 . . . . . . . . . 1 . HN parsed_1nkf 1
57 1 2 . . . . . . . . . 8 . HG1* parsed_1nkf 1
58 1 1 . . . . . . . . . 2 . HN parsed_1nkf 1
58 1 2 . . . . . . . . . 15 . HB* parsed_1nkf 1
59 1 1 . . . . . . . . . 8 . HA parsed_1nkf 1
59 1 2 . . . . . . . . . 16 . HB2 parsed_1nkf 1
60 1 1 . . . . . . . . . 8 . HA parsed_1nkf 1
60 1 2 . . . . . . . . . 2 . HN parsed_1nkf 1
61 1 1 . . . . . . . . . 13 . HB* parsed_1nkf 1
61 1 2 . . . . . . . . . 8 . HG2* parsed_1nkf 1
62 1 1 . . . . . . . . . 13 . HN parsed_1nkf 1
62 1 2 . . . . . . . . . 8 . HG1* parsed_1nkf 1
63 1 1 . . . . . . . . . 8 . HG2* parsed_1nkf 1
63 1 2 . . . . . . . . . 13 . HN parsed_1nkf 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 . . . . . 1.8 1.8 4.0 parsed_1nkf 1
2 1 . . . . . 1.8 1.8 4.0 parsed_1nkf 1
3 1 . . . . . 1.8 1.8 2.7 parsed_1nkf 1
4 1 . . . . . 1.8 1.8 2.7 parsed_1nkf 1
5 1 . . . . . 1.8 1.8 4.0 parsed_1nkf 1
6 1 . . . . . 1.8 1.8 2.7 parsed_1nkf 1
7 1 . . . . . 1.8 1.8 2.7 parsed_1nkf 1
8 1 . . . . . 1.8 1.8 4.0 parsed_1nkf 1
9 1 . . . . . 1.8 1.8 5.5 parsed_1nkf 1
10 1 . . . . . 1.8 1.8 2.7 parsed_1nkf 1
11 1 . . . . . 1.8 1.8 2.7 parsed_1nkf 1
12 1 . . . . . 1.8 1.8 5.5 parsed_1nkf 1
13 1 . . . . . 1.8 1.8 4.5 parsed_1nkf 1
14 1 . . . . . 1.8 1.8 4.0 parsed_1nkf 1
15 1 . . . . . 1.8 1.8 4.0 parsed_1nkf 1
16 1 . . . . . 1.8 1.8 4.0 parsed_1nkf 1
17 1 . . . . . 1.8 1.8 2.7 parsed_1nkf 1
18 1 . . . . . 1.8 1.8 3.2 parsed_1nkf 1
19 1 . . . . . 1.8 1.8 2.7 parsed_1nkf 1
20 1 . . . . . 1.8 1.8 3.2 parsed_1nkf 1
21 1 . . . . . 1.8 1.8 5.5 parsed_1nkf 1
22 1 . . . . . 1.8 1.8 4.0 parsed_1nkf 1
23 1 . . . . . 1.8 1.8 2.7 parsed_1nkf 1
24 1 . . . . . 1.8 1.8 2.7 parsed_1nkf 1
25 1 . . . . . 1.8 1.8 4.0 parsed_1nkf 1
26 1 . . . . . 1.8 1.8 2.7 parsed_1nkf 1
27 1 . . . . . 1.8 1.8 4.0 parsed_1nkf 1
28 1 . . . . . 1.8 1.8 4.5 parsed_1nkf 1
29 1 . . . . . 1.8 1.8 3.2 parsed_1nkf 1
30 1 . . . . . 1.8 1.8 4.0 parsed_1nkf 1
31 1 . . . . . 1.8 1.8 3.2 parsed_1nkf 1
32 1 . . . . . 1.8 1.8 4.0 parsed_1nkf 1
33 1 . . . . . 1.8 1.8 2.7 parsed_1nkf 1
34 1 . . . . . 1.8 1.8 5.5 parsed_1nkf 1
35 1 . . . . . 1.8 1.8 2.7 parsed_1nkf 1
36 1 . . . . . 1.8 1.8 5.5 parsed_1nkf 1
37 1 . . . . . 1.8 1.8 2.7 parsed_1nkf 1
38 1 . . . . . 1.8 1.8 5.5 parsed_1nkf 1
39 1 . . . . . 1.8 1.8 4.0 parsed_1nkf 1
40 1 . . . . . 1.8 1.8 3.2 parsed_1nkf 1
41 1 . . . . . 1.8 1.8 5.5 parsed_1nkf 1
42 1 . . . . . 1.8 1.8 4.0 parsed_1nkf 1
43 1 . . . . . 1.8 1.8 4.0 parsed_1nkf 1
44 1 . . . . . 1.8 1.8 5.5 parsed_1nkf 1
45 1 . . . . . 1.8 1.8 5.5 parsed_1nkf 1
46 1 . . . . . 1.8 1.8 4.5 parsed_1nkf 1
47 1 . . . . . 1.8 1.8 4.5 parsed_1nkf 1
48 1 . . . . . 1.8 1.8 4.0 parsed_1nkf 1
49 1 . . . . . 1.8 1.8 4.0 parsed_1nkf 1
50 1 . . . . . 1.8 1.8 5.5 parsed_1nkf 1
51 1 . . . . . 1.8 1.8 5.5 parsed_1nkf 1
52 1 . . . . . 1.8 1.8 4.0 parsed_1nkf 1
53 1 . . . . . 1.8 1.8 5.5 parsed_1nkf 1
54 1 . . . . . 1.8 1.8 4.0 parsed_1nkf 1
55 1 . . . . . 1.8 1.8 2.7 parsed_1nkf 1
56 1 . . . . . 1.8 1.8 4.0 parsed_1nkf 1
57 1 . . . . . 1.8 1.8 4.0 parsed_1nkf 1
58 1 . . . . . 1.8 1.8 6.5 parsed_1nkf 1
59 1 . . . . . 1.8 1.8 5.5 parsed_1nkf 1
60 1 . . . . . 1.8 1.8 4.0 parsed_1nkf 1
61 1 . . . . . 1.8 1.8 3.7 parsed_1nkf 1
62 1 . . . . . 1.8 1.8 5.0 parsed_1nkf 1
63 1 . . . . . 1.8 1.8 3.7 parsed_1nkf 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 "intraresidual NOEs (protein)" 2 1 2 30 parsed_1nkf 1
2 "sequential (|i - j| = 1) NOEs" 15 1 15 31 parsed_1nkf 1
3 "short range interresidue (|i - j| = 2,3,4) NOEs" 51 1 51 49 parsed_1nkf 1
4 "long range interresidue (|i - j| > 4) NOEs" 68 1 68 44 parsed_1nkf 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1nkf
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -105 . . 1 . HN . 1 . N . 1 . CA . 1 . HA parsed_1nkf 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -176 -116 . . 2 . HN . 2 . N . 2 . CA . 2 . HA parsed_1nkf 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . . 3 . HN . 3 . N . 3 . CA . 3 . HA parsed_1nkf 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . . 5 . HN . 5 . N . 5 . CA . 5 . HA parsed_1nkf 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . . 7 . HN . 7 . N . 7 . CA . 7 . HA parsed_1nkf 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . . 8 . HN . 8 . N . 8 . CA . 8 . HA parsed_1nkf 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172 -112 . . 9 . HN . 9 . N . 9 . CA . 9 . HA parsed_1nkf 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130 -70 . . 10 . HN . 10 . N . 10 . CA . 10 . HA parsed_1nkf 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153 -93 . . 11 . HN . 11 . N . 11 . CA . 11 . HA parsed_1nkf 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162 -102 . . 12 . HN . 12 . N . 12 . CA . 12 . HA parsed_1nkf 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152 -92 . . 13 . HN . 13 . N . 13 . CA . 13 . HA parsed_1nkf 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157 -97 . . 14 . HN . 14 . N . 14 . CA . 14 . HA parsed_1nkf 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162 -102 . . 15 . HN . 15 . N . 15 . CA . 15 . HA parsed_1nkf 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173 -113 . . 16 . HN . 16 . N . 16 . CA . 16 . HA parsed_1nkf 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1 "dihedral angle restraints for the phi angles" 2 1 2 46 parsed_1nkf 1
stop_
save_
Contact the webmaster for help, if required. Wednesday, July 3, 2024 3:51:16 AM GMT (wattos1)