NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
624098 |
6f27   |
34203 | cing | 2-parsed | STAR | entry | full | 87 |
data_6f27_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6f27
_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_6f27 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6f27
_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 6f27 "Master copy" parsed_6f27
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6f27
_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 6f27.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6f27 1
1 6f27.mr . . XPLOR/CNS 2 distance NOE simple 73 parsed_6f27 1
1 6f27.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 14 parsed_6f27 1
1 6f27.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6f27 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_6f27
_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 MEMBRANE PROTEIN 23-NOV-17 6F27
*TITLE NMR SOLUTION STRUCTURE OF NON-BOUND [DES-ARG10]-KALLIDIN (DAKD)
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: DAKD;
*COMPND 3 CHAIN: A;
*COMPND 4 SYNONYM: ALPHA-2-THIOL PROTEINASE INHIBITOR,FITZGERALD FACTOR,HIGH
*COMPND 5 MOLECULAR WEIGHT KININOGEN,HMWK,WILLIAMS-FITZGERALD-FLAUJEAC FACTOR,
*COMPND 6 [DES-ARG10]-KALLIDIN [LYS-DES-ARG9]-BRADYKININ;
*COMPND 7 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 4 ORGANISM_COMMON: HUMAN;
*SOURCE 5 ORGANISM_TAXID: 9606
*KEYWDS GPCR G-PROTEIN-COUPLED RECEPTOR PEPTIDE BRADYKININ KALLIDIN HUMAN
*KEYWDS 2 KININ, MEMBRANE PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR C.RICHTER,H.R.A.JONKER,H.SCHWALBE,L.JOEDICKE,J.MAO,G.KUENZE,
*AUTHOR 2 C.REINHART,T.KALAVACHERLA,J.MEILER,J.PREU,H.MICHEL,C.GLAUBITZ
*REVDAT 1 10-JAN-18 6F27 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6f27
_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_6f27 1
2 1 . . . parsed_6f27 1
3 1 . . . parsed_6f27 1
4 1 . . . parsed_6f27 1
5 1 . . . parsed_6f27 1
6 1 . . . parsed_6f27 1
7 1 . . . parsed_6f27 1
8 1 . . . parsed_6f27 1
9 1 . . . parsed_6f27 1
10 1 . . . parsed_6f27 1
11 1 . . . parsed_6f27 1
12 1 . . . parsed_6f27 1
13 1 . . . parsed_6f27 1
14 1 . . . parsed_6f27 1
15 1 . . . parsed_6f27 1
16 1 . . . parsed_6f27 1
17 1 . . . parsed_6f27 1
18 1 . . . parsed_6f27 1
19 1 . . . parsed_6f27 1
20 1 . . . parsed_6f27 1
21 1 . . . parsed_6f27 1
22 1 . . . parsed_6f27 1
23 1 . . . parsed_6f27 1
24 1 . . . parsed_6f27 1
25 1 . . . parsed_6f27 1
26 1 . . . parsed_6f27 1
27 1 . . . parsed_6f27 1
28 1 . . . parsed_6f27 1
29 1 . . . parsed_6f27 1
30 1 . . . parsed_6f27 1
31 1 . . . parsed_6f27 1
32 1 . . . parsed_6f27 1
33 1 . . . parsed_6f27 1
34 1 . . . parsed_6f27 1
35 1 . . . parsed_6f27 1
36 1 . . . parsed_6f27 1
37 1 . . . parsed_6f27 1
38 1 . . . parsed_6f27 1
39 1 . . . parsed_6f27 1
40 1 . . . parsed_6f27 1
41 1 . . . parsed_6f27 1
42 1 . . . parsed_6f27 1
43 1 . . . parsed_6f27 1
44 1 . . . parsed_6f27 1
45 1 . . . parsed_6f27 1
46 1 . . . parsed_6f27 1
47 1 . . . parsed_6f27 1
48 1 . . . parsed_6f27 1
49 1 . . . parsed_6f27 1
50 1 . . . parsed_6f27 1
51 1 . . . parsed_6f27 1
52 1 . . . parsed_6f27 1
53 1 . . . parsed_6f27 1
54 1 . . . parsed_6f27 1
55 1 . . . parsed_6f27 1
56 1 . . . parsed_6f27 1
57 1 . . . parsed_6f27 1
58 1 . . . parsed_6f27 1
59 1 . . . parsed_6f27 1
60 1 . . . parsed_6f27 1
61 1 . . . parsed_6f27 1
62 1 . . . parsed_6f27 1
63 1 . . . parsed_6f27 1
64 1 . . . parsed_6f27 1
65 1 . . . parsed_6f27 1
66 1 . . . parsed_6f27 1
67 1 . . . parsed_6f27 1
68 1 . . . parsed_6f27 1
69 1 . . . parsed_6f27 1
70 1 . . . parsed_6f27 1
71 1 . . . parsed_6f27 1
72 1 . . . parsed_6f27 1
73 1 . . . parsed_6f27 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_6f27 1
1 1 2 . . . . . . . . . 1 . HB# parsed_6f27 1
2 1 1 . . . . . . . . . 1 . HA parsed_6f27 1
2 1 2 . . . . . . . . . 1 . HG# parsed_6f27 1
3 1 1 . . . . . . . . . 1 . HA parsed_6f27 1
3 1 2 . . . . . . . . . 1 . HD# parsed_6f27 1
4 1 1 . . . . . . . . . 1 . HA parsed_6f27 1
4 1 2 . . . . . . . . . 1 . HE# parsed_6f27 1
5 1 1 . . . . . . . . . 1 . HB# parsed_6f27 1
5 1 2 . . . . . . . . . 1 . HE# parsed_6f27 1
6 1 1 . . . . . . . . . 1 . HG# parsed_6f27 1
6 1 2 . . . . . . . . . 1 . HE# parsed_6f27 1
7 1 1 . . . . . . . . . 2 . HN parsed_6f27 1
7 1 2 . . . . . . . . . 2 . HA parsed_6f27 1
8 1 1 . . . . . . . . . 2 . HN parsed_6f27 1
8 1 2 . . . . . . . . . 2 . HB# parsed_6f27 1
9 1 1 . . . . . . . . . 2 . HN parsed_6f27 1
9 1 2 . . . . . . . . . 2 . HG# parsed_6f27 1
10 1 1 . . . . . . . . . 2 . HA parsed_6f27 1
10 1 2 . . . . . . . . . 2 . HB# parsed_6f27 1
11 1 1 . . . . . . . . . 2 . HA parsed_6f27 1
11 1 2 . . . . . . . . . 2 . HG# parsed_6f27 1
12 1 1 . . . . . . . . . 2 . HB# parsed_6f27 1
12 1 2 . . . . . . . . . 2 . HE parsed_6f27 1
13 1 1 . . . . . . . . . 2 . HG# parsed_6f27 1
13 1 2 . . . . . . . . . 2 . HD1 parsed_6f27 1
14 1 1 . . . . . . . . . 2 . HG# parsed_6f27 1
14 1 2 . . . . . . . . . 2 . HE parsed_6f27 1
15 1 1 . . . . . . . . . 2 . HD1 parsed_6f27 1
15 1 2 . . . . . . . . . 2 . HE parsed_6f27 1
16 1 1 . . . . . . . . . 2 . HD2 parsed_6f27 1
16 1 2 . . . . . . . . . 2 . HE parsed_6f27 1
17 1 1 . . . . . . . . . 3 . HB1 parsed_6f27 1
17 1 2 . . . . . . . . . 3 . HD1 parsed_6f27 1
18 1 1 . . . . . . . . . 3 . HG# parsed_6f27 1
18 1 2 . . . . . . . . . 3 . HD1 parsed_6f27 1
19 1 1 . . . . . . . . . 4 . HA parsed_6f27 1
19 1 2 . . . . . . . . . 4 . HB1 parsed_6f27 1
20 1 1 . . . . . . . . . 4 . HA parsed_6f27 1
20 1 2 . . . . . . . . . 4 . HB2 parsed_6f27 1
21 1 1 . . . . . . . . . 4 . HA parsed_6f27 1
21 1 2 . . . . . . . . . 4 . HG# parsed_6f27 1
22 1 1 . . . . . . . . . 4 . HA parsed_6f27 1
22 1 2 . . . . . . . . . 4 . HD1 parsed_6f27 1
23 1 1 . . . . . . . . . 4 . HB1 parsed_6f27 1
23 1 2 . . . . . . . . . 4 . HD1 parsed_6f27 1
24 1 1 . . . . . . . . . 4 . HG# parsed_6f27 1
24 1 2 . . . . . . . . . 4 . HD1 parsed_6f27 1
25 1 1 . . . . . . . . . 4 . HG# parsed_6f27 1
25 1 2 . . . . . . . . . 4 . HD2 parsed_6f27 1
26 1 1 . . . . . . . . . 5 . HA1 parsed_6f27 1
26 1 2 . . . . . . . . . 5 . HN parsed_6f27 1
27 1 1 . . . . . . . . . 5 . HA2 parsed_6f27 1
27 1 2 . . . . . . . . . 5 . HN parsed_6f27 1
28 1 1 . . . . . . . . . 6 . HN parsed_6f27 1
28 1 2 . . . . . . . . . 6 . HA parsed_6f27 1
29 1 1 . . . . . . . . . 6 . HN parsed_6f27 1
29 1 2 . . . . . . . . . 6 . HB# parsed_6f27 1
30 1 1 . . . . . . . . . 6 . HN parsed_6f27 1
30 1 2 . . . . . . . . . 6 . HD# parsed_6f27 1
31 1 1 . . . . . . . . . 6 . HA parsed_6f27 1
31 1 2 . . . . . . . . . 6 . HB# parsed_6f27 1
32 1 1 . . . . . . . . . 6 . HA parsed_6f27 1
32 1 2 . . . . . . . . . 6 . HD# parsed_6f27 1
33 1 1 . . . . . . . . . 6 . HB# parsed_6f27 1
33 1 2 . . . . . . . . . 6 . HD# parsed_6f27 1
34 1 1 . . . . . . . . . 7 . HN parsed_6f27 1
34 1 2 . . . . . . . . . 7 . HA parsed_6f27 1
35 1 1 . . . . . . . . . 7 . HN parsed_6f27 1
35 1 2 . . . . . . . . . 7 . HB# parsed_6f27 1
36 1 1 . . . . . . . . . 7 . HA parsed_6f27 1
36 1 2 . . . . . . . . . 7 . HB# parsed_6f27 1
37 1 1 . . . . . . . . . 8 . HA parsed_6f27 1
37 1 2 . . . . . . . . . 8 . HB1 parsed_6f27 1
38 1 1 . . . . . . . . . 8 . HA parsed_6f27 1
38 1 2 . . . . . . . . . 8 . HB2 parsed_6f27 1
39 1 1 . . . . . . . . . 8 . HA parsed_6f27 1
39 1 2 . . . . . . . . . 8 . HG1 parsed_6f27 1
40 1 1 . . . . . . . . . 8 . HA parsed_6f27 1
40 1 2 . . . . . . . . . 8 . HD# parsed_6f27 1
41 1 1 . . . . . . . . . 9 . HN parsed_6f27 1
41 1 2 . . . . . . . . . 9 . HB1 parsed_6f27 1
42 1 1 . . . . . . . . . 9 . HN parsed_6f27 1
42 1 2 . . . . . . . . . 9 . HB2 parsed_6f27 1
43 1 1 . . . . . . . . . 9 . HN parsed_6f27 1
43 1 2 . . . . . . . . . 9 . HD# parsed_6f27 1
44 1 1 . . . . . . . . . 9 . HA parsed_6f27 1
44 1 2 . . . . . . . . . 9 . HB1 parsed_6f27 1
45 1 1 . . . . . . . . . 9 . HA parsed_6f27 1
45 1 2 . . . . . . . . . 9 . HD# parsed_6f27 1
46 1 1 . . . . . . . . . 9 . HA parsed_6f27 1
46 1 2 . . . . . . . . . 9 . HE# parsed_6f27 1
47 1 1 . . . . . . . . . 9 . HB1 parsed_6f27 1
47 1 2 . . . . . . . . . 9 . HD# parsed_6f27 1
48 1 1 . . . . . . . . . 9 . HB2 parsed_6f27 1
48 1 2 . . . . . . . . . 9 . HD# parsed_6f27 1
49 1 1 . . . . . . . . . 1 . HA parsed_6f27 1
49 1 2 . . . . . . . . . 2 . HN parsed_6f27 1
50 1 1 . . . . . . . . . 1 . HB# parsed_6f27 1
50 1 2 . . . . . . . . . 2 . HN parsed_6f27 1
51 1 1 . . . . . . . . . 2 . HA parsed_6f27 1
51 1 2 . . . . . . . . . 3 . HD1 parsed_6f27 1
52 1 1 . . . . . . . . . 2 . HA parsed_6f27 1
52 1 2 . . . . . . . . . 3 . HD2 parsed_6f27 1
53 1 1 . . . . . . . . . 3 . HB1 parsed_6f27 1
53 1 2 . . . . . . . . . 4 . HD2 parsed_6f27 1
54 1 1 . . . . . . . . . 3 . HB2 parsed_6f27 1
54 1 2 . . . . . . . . . 4 . HD2 parsed_6f27 1
55 1 1 . . . . . . . . . 4 . HA parsed_6f27 1
55 1 2 . . . . . . . . . 5 . HN parsed_6f27 1
56 1 1 . . . . . . . . . 4 . HB1 parsed_6f27 1
56 1 2 . . . . . . . . . 5 . HN parsed_6f27 1
57 1 1 . . . . . . . . . 4 . HB2 parsed_6f27 1
57 1 2 . . . . . . . . . 5 . HN parsed_6f27 1
58 1 1 . . . . . . . . . 4 . HG# parsed_6f27 1
58 1 2 . . . . . . . . . 5 . HN parsed_6f27 1
59 1 1 . . . . . . . . . 4 . HD2 parsed_6f27 1
59 1 2 . . . . . . . . . 5 . HN parsed_6f27 1
60 1 1 . . . . . . . . . 5 . HN parsed_6f27 1
60 1 2 . . . . . . . . . 6 . HN parsed_6f27 1
61 1 1 . . . . . . . . . 5 . HA1 parsed_6f27 1
61 1 2 . . . . . . . . . 6 . HN parsed_6f27 1
62 1 1 . . . . . . . . . 5 . HA2 parsed_6f27 1
62 1 2 . . . . . . . . . 6 . HN parsed_6f27 1
63 1 1 . . . . . . . . . 6 . HN parsed_6f27 1
63 1 2 . . . . . . . . . 7 . HN parsed_6f27 1
64 1 1 . . . . . . . . . 6 . HA parsed_6f27 1
64 1 2 . . . . . . . . . 7 . HN parsed_6f27 1
65 1 1 . . . . . . . . . 6 . HB# parsed_6f27 1
65 1 2 . . . . . . . . . 7 . HN parsed_6f27 1
66 1 1 . . . . . . . . . 6 . HD# parsed_6f27 1
66 1 2 . . . . . . . . . 7 . HN parsed_6f27 1
67 1 1 . . . . . . . . . 7 . HA parsed_6f27 1
67 1 2 . . . . . . . . . 8 . HA parsed_6f27 1
68 1 1 . . . . . . . . . 7 . HA parsed_6f27 1
68 1 2 . . . . . . . . . 8 . HD# parsed_6f27 1
69 1 1 . . . . . . . . . 8 . HA parsed_6f27 1
69 1 2 . . . . . . . . . 9 . HN parsed_6f27 1
70 1 1 . . . . . . . . . 8 . HB2 parsed_6f27 1
70 1 2 . . . . . . . . . 9 . HN parsed_6f27 1
71 1 1 . . . . . . . . . 8 . HG2 parsed_6f27 1
71 1 2 . . . . . . . . . 9 . HN parsed_6f27 1
72 1 1 . . . . . . . . . 8 . HD# parsed_6f27 1
72 1 2 . . . . . . . . . 9 . HN parsed_6f27 1
73 1 1 . . . . . . . . . 7 . HB# parsed_6f27 1
73 1 2 . . . . . . . . . 9 . HN parsed_6f27 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 . . . . . 2.16 1.58 2.74 parsed_6f27 1
2 1 . . . . . 2.85 1.84 3.86 parsed_6f27 1
3 1 . . . . . 3.39 1.96 4.82 parsed_6f27 1
4 1 . . . . . 3.66 1.98 5.34 parsed_6f27 1
5 1 . . . . . 3.03 1.88 4.18 parsed_6f27 1
6 1 . . . . . 2.75 1.81 3.69 parsed_6f27 1
7 1 . . . . . 3.12 1.90 4.34 parsed_6f27 1
8 1 . . . . . 2.84 1.83 3.85 parsed_6f27 1
9 1 . . . . . 3.00 1.87 4.13 parsed_6f27 1
10 1 . . . . . 2.84 1.83 3.85 parsed_6f27 1
11 1 . . . . . 2.95 1.86 4.04 parsed_6f27 1
12 1 . . . . . 3.35 1.94 4.76 parsed_6f27 1
13 1 . . . . . 2.23 1.61 2.85 parsed_6f27 1
14 1 . . . . . 2.93 1.86 4.00 parsed_6f27 1
15 1 . . . . . 3.08 1.89 4.27 parsed_6f27 1
16 1 . . . . . 3.18 1.91 4.45 parsed_6f27 1
17 1 . . . . . 3.69 1.99 5.39 parsed_6f27 1
18 1 . . . . . 2.19 1.59 2.79 parsed_6f27 1
19 1 . . . . . 1.99 1.49 2.49 parsed_6f27 1
20 1 . . . . . 2.71 1.79 3.63 parsed_6f27 1
21 1 . . . . . 3.02 1.88 4.16 parsed_6f27 1
22 1 . . . . . 3.18 1.92 4.44 parsed_6f27 1
23 1 . . . . . 3.41 1.96 4.86 parsed_6f27 1
24 1 . . . . . 2.26 1.62 2.90 parsed_6f27 1
25 1 . . . . . 2.62 1.76 3.48 parsed_6f27 1
26 1 . . . . . 2.36 1.67 3.05 parsed_6f27 1
27 1 . . . . . 2.26 1.62 2.90 parsed_6f27 1
28 1 . . . . . 2.24 1.61 2.87 parsed_6f27 1
29 1 . . . . . 2.34 1.65 3.03 parsed_6f27 1
30 1 . . . . . 2.60 1.75 3.45 parsed_6f27 1
31 1 . . . . . 2.67 1.78 3.56 parsed_6f27 1
32 1 . . . . . 1.87 1.43 2.31 parsed_6f27 1
33 1 . . . . . 1.78 1.38 2.20 parsed_6f27 1
34 1 . . . . . 2.28 1.63 2.93 parsed_6f27 1
35 1 . . . . . 2.44 1.70 3.18 parsed_6f27 1
36 1 . . . . . 2.45 1.70 3.20 parsed_6f27 1
37 1 . . . . . 2.00 1.50 2.50 parsed_6f27 1
38 1 . . . . . 2.71 1.79 3.63 parsed_6f27 1
39 1 . . . . . 3.47 1.97 4.97 parsed_6f27 1
40 1 . . . . . 3.28 1.94 4.62 parsed_6f27 1
41 1 . . . . . 3.45 1.96 4.94 parsed_6f27 1
42 1 . . . . . 2.73 1.80 3.66 parsed_6f27 1
43 1 . . . . . 2.50 1.72 3.28 parsed_6f27 1
44 1 . . . . . 2.24 1.61 2.87 parsed_6f27 1
45 1 . . . . . 2.00 1.50 2.50 parsed_6f27 1
46 1 . . . . . 3.01 1.88 4.14 parsed_6f27 1
47 1 . . . . . 2.07 1.54 2.60 parsed_6f27 1
48 1 . . . . . 1.94 1.47 2.41 parsed_6f27 1
49 1 . . . . . 2.22 1.60 2.84 parsed_6f27 1
50 1 . . . . . 3.24 1.93 4.55 parsed_6f27 1
51 1 . . . . . 2.36 1.67 3.05 parsed_6f27 1
52 1 . . . . . 2.90 1.85 3.95 parsed_6f27 1
53 1 . . . . . 3.02 1.88 4.16 parsed_6f27 1
54 1 . . . . . 2.99 1.87 4.11 parsed_6f27 1
55 1 . . . . . 2.07 1.53 2.61 parsed_6f27 1
56 1 . . . . . 3.95 2.00 5.90 parsed_6f27 1
57 1 . . . . . 3.30 1.94 4.66 parsed_6f27 1
58 1 . . . . . 4.18 2.00 6.36 parsed_6f27 1
59 1 . . . . . 3.83 1.99 5.67 parsed_6f27 1
60 1 . . . . . 3.23 1.92 4.54 parsed_6f27 1
61 1 . . . . . 2.52 1.73 3.31 parsed_6f27 1
62 1 . . . . . 2.51 1.72 3.30 parsed_6f27 1
63 1 . . . . . 4.24 1.99 6.49 parsed_6f27 1
64 1 . . . . . 1.99 1.50 2.48 parsed_6f27 1
65 1 . . . . . 3.01 1.88 4.14 parsed_6f27 1
66 1 . . . . . 3.29 1.94 4.64 parsed_6f27 1
67 1 . . . . . 3.70 1.99 5.41 parsed_6f27 1
68 1 . . . . . 2.77 1.81 3.73 parsed_6f27 1
69 1 . . . . . 2.18 1.59 2.77 parsed_6f27 1
70 1 . . . . . 3.59 1.98 5.20 parsed_6f27 1
71 1 . . . . . 3.78 2.00 5.56 parsed_6f27 1
72 1 . . . . . 3.12 1.90 4.34 parsed_6f27 1
73 1 . . . . . 3.39 1.95 4.83 parsed_6f27 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
;
NOE distance restraints
intra residue
;
2 1 6 2 parsed_6f27 1
2 sequential 55 1 58 2 parsed_6f27 1
3 "medium range (2-4)" 83 1 86 2 parsed_6f27 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: noe.tbl" 1 1 1 28 parsed_6f27 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6f27
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -50 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_6f27 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111 161 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_6f27 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81 -41 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_6f27 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 170 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_6f27 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74 -34 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_6f27 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113 153 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_6f27 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 65 105 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_6f27 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20 20 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_6f27 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124 -52 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_6f27 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112 152 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_6f27 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122 -42 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_6f27 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109 165 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_6f27 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81 -41 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_6f27 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124 164 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_6f27 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 "torsion angle restraints" 2 1 3 2 parsed_6f27 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "# Restraints file 2: dihedral.tbl" 1 1 1 33 parsed_6f27 1
stop_
save_
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