NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
39474 |
1t52   |
6219 | cing | 2-parsed | STAR | entry | full | 88 |
data_1t52_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1t52
_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_1t52 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1t52
_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 1t52 "Master copy" parsed_1t52
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1t52
_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 1t52.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1t52 1
1 1t52.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 7 parsed_1t52 1
1 1t52.mr . . XPLOR/CNS 3 distance NOE simple 81 parsed_1t52 1
1 1t52.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1t52 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_1t52
_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 ANTIBIOTIC 01-MAY-04 1T52
*TITLE ANTIBIOTIC ACTIVITY AND STRUCTURAL ANALYSIS OF A SCORPION-
*TITLE 2 DERIVED ANTIMICROBIAL PEPTIDE ISCT AND ITS ANALOGS
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: CYTOTOXIC LINEAR PEPTIDE ISCT;
*COMPND 3 CHAIN: A;
*COMPND 4 SYNONYM: ISCT;
*COMPND 5 ENGINEERED: YES;
*COMPND 6 MUTATION: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: OPISTHACANTHUS MADAGASCARIENSIS;
*SOURCE 3 ORGANISM_COMMON: SCORPION;
*SOURCE 4 TISSUE: VENOM;
*SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 6 EXPRESSION_SYSTEM_COMMON: BACTERIA
*KEYWDS COIL-HELIX
*EXPDTA NMR, 20 STRUCTURES
*AUTHOR K.LEE, S.Y.SHIN, K.KIM, S.S.LIM, K.S.HAHM, Y.KIM
*REVDAT 1 19-OCT-04 1T52 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1t52
_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_1t52 1
2 1 . . . parsed_1t52 1
3 1 . . . parsed_1t52 1
4 1 . . . parsed_1t52 1
5 1 . . . parsed_1t52 1
6 1 . . . parsed_1t52 1
7 1 . . . parsed_1t52 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 . . . . . . . . . 5 . N parsed_1t52 1
1 1 2 . . . . . . . . . 1 . O parsed_1t52 1
2 1 1 . . . . . . . . . 7 . N parsed_1t52 1
2 1 2 . . . . . . . . . 3 . O parsed_1t52 1
3 1 1 . . . . . . . . . 8 . N parsed_1t52 1
3 1 2 . . . . . . . . . 4 . O parsed_1t52 1
4 1 1 . . . . . . . . . 10 . N parsed_1t52 1
4 1 2 . . . . . . . . . 6 . O parsed_1t52 1
5 1 1 . . . . . . . . . 11 . N parsed_1t52 1
5 1 2 . . . . . . . . . 7 . O parsed_1t52 1
6 1 1 . . . . . . . . . 12 . N parsed_1t52 1
6 1 2 . . . . . . . . . 8 . O parsed_1t52 1
7 1 1 . . . . . . . . . 13 . N parsed_1t52 1
7 1 2 . . . . . . . . . 9 . O parsed_1t52 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 . . . . . 3.3 2.5 3.5 parsed_1t52 1
2 1 . . . . . 3.3 2.5 3.5 parsed_1t52 1
3 1 . . . . . 3.3 2.5 3.5 parsed_1t52 1
4 1 . . . . . 3.3 2.5 3.5 parsed_1t52 1
5 1 . . . . . 3.3 2.5 3.5 parsed_1t52 1
6 1 . . . . . 3.3 2.5 3.5 parsed_1t52 1
7 1 . . . . . 3.3 2.5 3.5 parsed_1t52 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 "message=off echo=off" 2 1 2 28 parsed_1t52 1
2
;
S:1.8-2.7(2.5) ; M:1.8-3.5(3.0) ; W:1.8-5.0(4.0)
add pseudoatom correction(m=1.0,r=1.5,+=0.5,q=2.4)
H-bond
;
3 1 6 8 parsed_1t52 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1t52
_Distance_constraint_list.ID 2
_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_1t52 2
2 1 . . . parsed_1t52 2
3 1 . . . parsed_1t52 2
4 1 . . . parsed_1t52 2
5 1 . . . parsed_1t52 2
6 1 . . . parsed_1t52 2
7 1 . . . parsed_1t52 2
8 1 . . . parsed_1t52 2
9 1 . . . parsed_1t52 2
10 1 . . . parsed_1t52 2
11 1 . . . parsed_1t52 2
12 1 . . . parsed_1t52 2
13 1 . . . parsed_1t52 2
14 1 . . . parsed_1t52 2
15 1 . . . parsed_1t52 2
16 1 . . . parsed_1t52 2
17 1 . . . parsed_1t52 2
18 1 . . . parsed_1t52 2
19 1 . . . parsed_1t52 2
20 1 . . . parsed_1t52 2
21 1 . . . parsed_1t52 2
22 1 . . . parsed_1t52 2
23 1 . . . parsed_1t52 2
24 1 . . . parsed_1t52 2
25 1 . . . parsed_1t52 2
26 1 . . . parsed_1t52 2
27 1 . . . parsed_1t52 2
28 1 . . . parsed_1t52 2
29 1 . . . parsed_1t52 2
30 1 . . . parsed_1t52 2
31 1 . . . parsed_1t52 2
32 1 . . . parsed_1t52 2
33 1 . . . parsed_1t52 2
34 1 . . . parsed_1t52 2
35 1 . . . parsed_1t52 2
36 1 . . . parsed_1t52 2
37 1 . . . parsed_1t52 2
38 1 . . . parsed_1t52 2
39 1 . . . parsed_1t52 2
40 1 . . . parsed_1t52 2
41 1 . . . parsed_1t52 2
42 1 . . . parsed_1t52 2
43 1 . . . parsed_1t52 2
44 1 . . . parsed_1t52 2
45 1 . . . parsed_1t52 2
46 1 . . . parsed_1t52 2
47 1 . . . parsed_1t52 2
48 1 . . . parsed_1t52 2
49 1 . . . parsed_1t52 2
50 1 . . . parsed_1t52 2
51 1 . . . parsed_1t52 2
52 1 . . . parsed_1t52 2
53 1 . . . parsed_1t52 2
54 1 . . . parsed_1t52 2
55 1 . . . parsed_1t52 2
56 1 . . . parsed_1t52 2
57 1 . . . parsed_1t52 2
58 1 . . . parsed_1t52 2
59 1 . . . parsed_1t52 2
60 1 . . . parsed_1t52 2
61 1 . . . parsed_1t52 2
62 1 . . . parsed_1t52 2
63 1 . . . parsed_1t52 2
64 1 . . . parsed_1t52 2
65 1 . . . parsed_1t52 2
66 1 . . . parsed_1t52 2
67 1 . . . parsed_1t52 2
68 1 . . . parsed_1t52 2
69 1 . . . parsed_1t52 2
70 1 . . . parsed_1t52 2
71 1 . . . parsed_1t52 2
72 1 . . . parsed_1t52 2
73 1 . . . parsed_1t52 2
74 1 . . . parsed_1t52 2
75 1 . . . parsed_1t52 2
76 1 . . . parsed_1t52 2
77 1 . . . parsed_1t52 2
78 1 . . . parsed_1t52 2
79 1 . . . parsed_1t52 2
80 1 . . . parsed_1t52 2
81 1 . . . parsed_1t52 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 . . . . . . . . . 2 . HN parsed_1t52 2
1 1 2 . . . . . . . . . 3 . HN parsed_1t52 2
2 1 1 . . . . . . . . . 3 . HN parsed_1t52 2
2 1 2 . . . . . . . . . 4 . HN parsed_1t52 2
3 1 1 . . . . . . . . . 4 . HN parsed_1t52 2
3 1 2 . . . . . . . . . 5 . HN parsed_1t52 2
4 1 1 . . . . . . . . . 5 . HN parsed_1t52 2
4 1 2 . . . . . . . . . 6 . HN parsed_1t52 2
5 1 1 . . . . . . . . . 6 . HN parsed_1t52 2
5 1 2 . . . . . . . . . 7 . HN parsed_1t52 2
6 1 1 . . . . . . . . . 7 . HN parsed_1t52 2
6 1 2 . . . . . . . . . 8 . HN parsed_1t52 2
7 1 1 . . . . . . . . . 8 . HN parsed_1t52 2
7 1 2 . . . . . . . . . 9 . HN parsed_1t52 2
8 1 1 . . . . . . . . . 9 . HN parsed_1t52 2
8 1 2 . . . . . . . . . 10 . HN parsed_1t52 2
9 1 1 . . . . . . . . . 10 . HN parsed_1t52 2
9 1 2 . . . . . . . . . 11 . HN parsed_1t52 2
10 1 1 . . . . . . . . . 11 . HN parsed_1t52 2
10 1 2 . . . . . . . . . 12 . HN parsed_1t52 2
11 1 1 . . . . . . . . . 12 . HN parsed_1t52 2
11 1 2 . . . . . . . . . 13 . HN parsed_1t52 2
12 1 1 . . . . . . . . . 9 . HN parsed_1t52 2
12 1 2 . . . . . . . . . 11 . HN parsed_1t52 2
13 1 1 . . . . . . . . . 4 . HN parsed_1t52 2
13 1 2 . . . . . . . . . 3 . HA# parsed_1t52 2
14 1 1 . . . . . . . . . 5 . HN parsed_1t52 2
14 1 2 . . . . . . . . . 4 . HA parsed_1t52 2
15 1 1 . . . . . . . . . 6 . HN parsed_1t52 2
15 1 2 . . . . . . . . . 5 . HA parsed_1t52 2
16 1 1 . . . . . . . . . 7 . HN parsed_1t52 2
16 1 2 . . . . . . . . . 6 . HA parsed_1t52 2
17 1 1 . . . . . . . . . 8 . HN parsed_1t52 2
17 1 2 . . . . . . . . . 7 . HA parsed_1t52 2
18 1 1 . . . . . . . . . 9 . HN parsed_1t52 2
18 1 2 . . . . . . . . . 8 . HA1 parsed_1t52 2
19 1 1 . . . . . . . . . 9 . HN parsed_1t52 2
19 1 2 . . . . . . . . . 8 . HA2 parsed_1t52 2
20 1 1 . . . . . . . . . 10 . HN parsed_1t52 2
20 1 2 . . . . . . . . . 9 . HA parsed_1t52 2
21 1 1 . . . . . . . . . 11 . HN parsed_1t52 2
21 1 2 . . . . . . . . . 10 . HA parsed_1t52 2
22 1 1 . . . . . . . . . 12 . HN parsed_1t52 2
22 1 2 . . . . . . . . . 11 . HA parsed_1t52 2
23 1 1 . . . . . . . . . 5 . HN parsed_1t52 2
23 1 2 . . . . . . . . . 2 . HA parsed_1t52 2
24 1 1 . . . . . . . . . 6 . HN parsed_1t52 2
24 1 2 . . . . . . . . . 3 . HA# parsed_1t52 2
25 1 1 . . . . . . . . . 7 . HN parsed_1t52 2
25 1 2 . . . . . . . . . 4 . HA parsed_1t52 2
26 1 1 . . . . . . . . . 8 . HN parsed_1t52 2
26 1 2 . . . . . . . . . 5 . HA parsed_1t52 2
27 1 1 . . . . . . . . . 9 . HN parsed_1t52 2
27 1 2 . . . . . . . . . 6 . HA parsed_1t52 2
28 1 1 . . . . . . . . . 11 . HN parsed_1t52 2
28 1 2 . . . . . . . . . 8 . HA1 parsed_1t52 2
29 1 1 . . . . . . . . . 11 . HN parsed_1t52 2
29 1 2 . . . . . . . . . 8 . HA2 parsed_1t52 2
30 1 1 . . . . . . . . . 12 . HN parsed_1t52 2
30 1 2 . . . . . . . . . 9 . HA parsed_1t52 2
31 1 1 . . . . . . . . . 13 . HN parsed_1t52 2
31 1 2 . . . . . . . . . 10 . HA parsed_1t52 2
32 1 1 . . . . . . . . . 7 . HN parsed_1t52 2
32 1 2 . . . . . . . . . 3 . HA# parsed_1t52 2
33 1 1 . . . . . . . . . 8 . HN parsed_1t52 2
33 1 2 . . . . . . . . . 4 . HA parsed_1t52 2
34 1 1 . . . . . . . . . 10 . HN parsed_1t52 2
34 1 2 . . . . . . . . . 6 . HA parsed_1t52 2
35 1 1 . . . . . . . . . 5 . HN parsed_1t52 2
35 1 2 . . . . . . . . . 4 . HB# parsed_1t52 2
36 1 1 . . . . . . . . . 6 . HN parsed_1t52 2
36 1 2 . . . . . . . . . 5 . HB parsed_1t52 2
37 1 1 . . . . . . . . . 7 . HN parsed_1t52 2
37 1 2 . . . . . . . . . 6 . HB# parsed_1t52 2
38 1 1 . . . . . . . . . 10 . HN parsed_1t52 2
38 1 2 . . . . . . . . . 9 . HB parsed_1t52 2
39 1 1 . . . . . . . . . 11 . HN parsed_1t52 2
39 1 2 . . . . . . . . . 10 . HB# parsed_1t52 2
40 1 1 . . . . . . . . . 12 . HN parsed_1t52 2
40 1 2 . . . . . . . . . 11 . HB# parsed_1t52 2
41 1 1 . . . . . . . . . 13 . HN parsed_1t52 2
41 1 2 . . . . . . . . . 12 . HB# parsed_1t52 2
42 1 1 . . . . . . . . . 6 . HN parsed_1t52 2
42 1 2 . . . . . . . . . 5 . HG1# parsed_1t52 2
43 1 1 . . . . . . . . . 6 . HN parsed_1t52 2
43 1 2 . . . . . . . . . 5 . HG2# parsed_1t52 2
44 1 1 . . . . . . . . . 10 . HN parsed_1t52 2
44 1 2 . . . . . . . . . 9 . HG2# parsed_1t52 2
45 1 1 . . . . . . . . . 10 . HN parsed_1t52 2
45 1 2 . . . . . . . . . 11 . HB parsed_1t52 2
46 1 1 . . . . . . . . . 6 . HN parsed_1t52 2
46 1 2 . . . . . . . . . 4 . HB1 parsed_1t52 2
47 1 1 . . . . . . . . . 3 . HN parsed_1t52 2
47 1 2 . . . . . . . . . 6 . HB# parsed_1t52 2
48 1 1 . . . . . . . . . 7 . HN parsed_1t52 2
48 1 2 . . . . . . . . . 4 . HB# parsed_1t52 2
49 1 1 . . . . . . . . . 8 . HN parsed_1t52 2
49 1 2 . . . . . . . . . 5 . HB parsed_1t52 2
50 1 1 . . . . . . . . . 12 . HN parsed_1t52 2
50 1 2 . . . . . . . . . 9 . HG2# parsed_1t52 2
51 1 1 . . . . . . . . . 6 . HE1 parsed_1t52 2
51 1 2 . . . . . . . . . 3 . HA parsed_1t52 2
52 1 1 . . . . . . . . . 6 . HE1 parsed_1t52 2
52 1 2 . . . . . . . . . 2 . HA parsed_1t52 2
53 1 1 . . . . . . . . . 13 . HD2 parsed_1t52 2
53 1 2 . . . . . . . . . 10 . HA parsed_1t52 2
54 1 1 . . . . . . . . . 13 . HE2 parsed_1t52 2
54 1 2 . . . . . . . . . 10 . HA parsed_1t52 2
55 1 1 . . . . . . . . . 2 . HN parsed_1t52 2
55 1 2 . . . . . . . . . 2 . HB2 parsed_1t52 2
56 1 1 . . . . . . . . . 2 . HN parsed_1t52 2
56 1 2 . . . . . . . . . 2 . HG parsed_1t52 2
57 1 1 . . . . . . . . . 4 . HN parsed_1t52 2
57 1 2 . . . . . . . . . 4 . HB# parsed_1t52 2
58 1 1 . . . . . . . . . 4 . HN parsed_1t52 2
58 1 2 . . . . . . . . . 4 . HG# parsed_1t52 2
59 1 1 . . . . . . . . . 5 . HN parsed_1t52 2
59 1 2 . . . . . . . . . 5 . HB parsed_1t52 2
60 1 1 . . . . . . . . . 5 . HN parsed_1t52 2
60 1 2 . . . . . . . . . 5 . HG# parsed_1t52 2
61 1 1 . . . . . . . . . 5 . HN parsed_1t52 2
61 1 2 . . . . . . . . . 5 . HD1# parsed_1t52 2
62 1 1 . . . . . . . . . 6 . HN parsed_1t52 2
62 1 2 . . . . . . . . . 6 . HB# parsed_1t52 2
63 1 1 . . . . . . . . . 6 . HN parsed_1t52 2
63 1 2 . . . . . . . . . 6 . HE3 parsed_1t52 2
64 1 1 . . . . . . . . . 6 . HN parsed_1t52 2
64 1 2 . . . . . . . . . 6 . HE1 parsed_1t52 2
65 1 1 . . . . . . . . . 7 . HN parsed_1t52 2
65 1 2 . . . . . . . . . 7 . HB# parsed_1t52 2
66 1 1 . . . . . . . . . 7 . HN parsed_1t52 2
66 1 2 . . . . . . . . . 7 . HG# parsed_1t52 2
67 1 1 . . . . . . . . . 9 . HN parsed_1t52 2
67 1 2 . . . . . . . . . 9 . HB parsed_1t52 2
68 1 1 . . . . . . . . . 9 . HN parsed_1t52 2
68 1 2 . . . . . . . . . 9 . HG1# parsed_1t52 2
69 1 1 . . . . . . . . . 9 . HN parsed_1t52 2
69 1 2 . . . . . . . . . 9 . HD1# parsed_1t52 2
70 1 1 . . . . . . . . . 10 . HN parsed_1t52 2
70 1 2 . . . . . . . . . 10 . HB# parsed_1t52 2
71 1 1 . . . . . . . . . 10 . HN parsed_1t52 2
71 1 2 . . . . . . . . . 10 . HG# parsed_1t52 2
72 1 1 . . . . . . . . . 10 . HN parsed_1t52 2
72 1 2 . . . . . . . . . 10 . HD# parsed_1t52 2
73 1 1 . . . . . . . . . 11 . HN parsed_1t52 2
73 1 2 . . . . . . . . . 11 . HB# parsed_1t52 2
74 1 1 . . . . . . . . . 12 . HN parsed_1t52 2
74 1 2 . . . . . . . . . 12 . HB# parsed_1t52 2
75 1 1 . . . . . . . . . 12 . HN parsed_1t52 2
75 1 2 . . . . . . . . . 12 . HG parsed_1t52 2
76 1 1 . . . . . . . . . 12 . HN parsed_1t52 2
76 1 2 . . . . . . . . . 12 . HD1# parsed_1t52 2
77 1 1 . . . . . . . . . 12 . HN parsed_1t52 2
77 1 2 . . . . . . . . . 12 . HD2# parsed_1t52 2
78 1 1 . . . . . . . . . 13 . HN parsed_1t52 2
78 1 2 . . . . . . . . . 13 . HB# parsed_1t52 2
79 1 1 . . . . . . . . . 13 . HB# parsed_1t52 2
79 1 2 . . . . . . . . . 13 . HE# parsed_1t52 2
80 1 1 . . . . . . . . . 13 . HB# parsed_1t52 2
80 1 2 . . . . . . . . . 13 . HD# parsed_1t52 2
81 1 1 . . . . . . . . . 13 . HA parsed_1t52 2
81 1 2 . . . . . . . . . 13 . HD# parsed_1t52 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 . . . . . 2.5 1.8 2.7 parsed_1t52 2
2 1 . . . . . 3.0 1.8 4.0 parsed_1t52 2
3 1 . . . . . 2.5 1.8 2.7 parsed_1t52 2
4 1 . . . . . 2.5 1.8 2.7 parsed_1t52 2
5 1 . . . . . 2.5 1.8 2.7 parsed_1t52 2
6 1 . . . . . 2.5 1.8 3.2 parsed_1t52 2
7 1 . . . . . 3.0 1.8 3.5 parsed_1t52 2
8 1 . . . . . 3.0 1.8 4.0 parsed_1t52 2
9 1 . . . . . 2.5 1.8 2.7 parsed_1t52 2
10 1 . . . . . 2.5 1.8 2.7 parsed_1t52 2
11 1 . . . . . 2.5 1.8 2.7 parsed_1t52 2
12 1 . . . . . 4.0 1.8 6.0 parsed_1t52 2
13 1 . . . . . 3.0 1.8 3.5 parsed_1t52 2
14 1 . . . . . 3.0 1.8 3.5 parsed_1t52 2
15 1 . . . . . 3.0 1.8 3.5 parsed_1t52 2
16 1 . . . . . 3.0 1.8 3.5 parsed_1t52 2
17 1 . . . . . 3.0 1.8 3.5 parsed_1t52 2
18 1 . . . . . 3.0 1.8 3.5 parsed_1t52 2
19 1 . . . . . 3.0 1.8 3.5 parsed_1t52 2
20 1 . . . . . 3.0 1.8 3.5 parsed_1t52 2
21 1 . . . . . 3.0 1.8 3.5 parsed_1t52 2
22 1 . . . . . 3.0 1.8 3.5 parsed_1t52 2
23 1 . . . . . 4.0 1.8 6.0 parsed_1t52 2
24 1 . . . . . 3.0 1.8 4.5 parsed_1t52 2
25 1 . . . . . 4.0 1.8 6.0 parsed_1t52 2
26 1 . . . . . 4.0 1.8 6.0 parsed_1t52 2
27 1 . . . . . 3.0 1.8 4.5 parsed_1t52 2
28 1 . . . . . 4.0 1.8 6.0 parsed_1t52 2
29 1 . . . . . 4.0 1.8 6.0 parsed_1t52 2
30 1 . . . . . 3.0 1.8 4.0 parsed_1t52 2
31 1 . . . . . 3.0 1.8 3.5 parsed_1t52 2
32 1 . . . . . 4.0 1.8 6.0 parsed_1t52 2
33 1 . . . . . 4.0 1.8 6.0 parsed_1t52 2
34 1 . . . . . 4.0 1.8 6.0 parsed_1t52 2
35 1 . . . . . 3.0 1.8 3.5 parsed_1t52 2
36 1 . . . . . 2.5 1.8 2.7 parsed_1t52 2
37 1 . . . . . 3.0 1.8 4.0 parsed_1t52 2
38 1 . . . . . 3.0 1.8 4.0 parsed_1t52 2
39 1 . . . . . 4.0 1.8 6.0 parsed_1t52 2
40 1 . . . . . 3.0 1.8 3.5 parsed_1t52 2
41 1 . . . . . 3.0 1.8 3.5 parsed_1t52 2
42 1 . . . . . 4.0 1.8 6.0 parsed_1t52 2
43 1 . . . . . 4.0 1.8 6.0 parsed_1t52 2
44 1 . . . . . 4.0 1.8 6.0 parsed_1t52 2
45 1 . . . . . 4.0 1.8 6.0 parsed_1t52 2
46 1 . . . . . 4.0 1.8 6.0 parsed_1t52 2
47 1 . . . . . 4.0 1.8 6.0 parsed_1t52 2
48 1 . . . . . 4.0 1.8 6.0 parsed_1t52 2
49 1 . . . . . 4.0 1.8 6.0 parsed_1t52 2
50 1 . . . . . 4.0 1.8 6.0 parsed_1t52 2
51 1 . . . . . 4.0 1.8 6.0 parsed_1t52 2
52 1 . . . . . 4.0 1.8 6.0 parsed_1t52 2
53 1 . . . . . 3.0 1.8 3.5 parsed_1t52 2
54 1 . . . . . 4.0 1.8 6.0 parsed_1t52 2
55 1 . . . . . 2.5 1.8 2.7 parsed_1t52 2
56 1 . . . . . 2.5 1.8 2.7 parsed_1t52 2
57 1 . . . . . 2.5 1.8 2.7 parsed_1t52 2
58 1 . . . . . 2.5 1.8 2.7 parsed_1t52 2
59 1 . . . . . 2.5 1.8 2.7 parsed_1t52 2
60 1 . . . . . 3.0 1.8 3.5 parsed_1t52 2
61 1 . . . . . 4.0 1.8 6.0 parsed_1t52 2
62 1 . . . . . 2.5 1.8 2.7 parsed_1t52 2
63 1 . . . . . 3.0 1.8 4.0 parsed_1t52 2
64 1 . . . . . 3.0 1.8 4.0 parsed_1t52 2
65 1 . . . . . 2.5 1.8 3.0 parsed_1t52 2
66 1 . . . . . 4.0 1.8 6.0 parsed_1t52 2
67 1 . . . . . 3.0 1.8 3.5 parsed_1t52 2
68 1 . . . . . 3.0 1.8 3.5 parsed_1t52 2
69 1 . . . . . 4.0 1.8 6.0 parsed_1t52 2
70 1 . . . . . 3.0 1.8 3.5 parsed_1t52 2
71 1 . . . . . 3.0 1.8 3.5 parsed_1t52 2
72 1 . . . . . 4.0 1.8 6.0 parsed_1t52 2
73 1 . . . . . 2.5 1.8 2.7 parsed_1t52 2
74 1 . . . . . 2.5 1.8 2.7 parsed_1t52 2
75 1 . . . . . 4.0 1.8 6.0 parsed_1t52 2
76 1 . . . . . 4.0 1.8 6.0 parsed_1t52 2
77 1 . . . . . 4.0 1.8 6.0 parsed_1t52 2
78 1 . . . . . 3.0 1.8 3.5 parsed_1t52 2
79 1 . . . . . 4.0 1.8 6.0 parsed_1t52 2
80 1 . . . . . 4.0 1.8 6.0 parsed_1t52 2
81 1 . . . . . 4.0 1.8 6.0 parsed_1t52 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
;
NH-NH NOEs
i-i+1
;
2 1 3 8 parsed_1t52 2
2 S 4 77 4 79 parsed_1t52 2
3 M+ 5 77 5 81 parsed_1t52 2
4 S 6 77 6 79 parsed_1t52 2
5 S 7 77 7 79 parsed_1t52 2
6 S 8 77 8 79 parsed_1t52 2
7 S+ 9 77 9 80 parsed_1t52 2
8 M 10 77 10 79 parsed_1t52 2
9 M+ 11 77 11 80 parsed_1t52 2
10 S 12 77 12 79 parsed_1t52 2
11 S 13 77 13 79 parsed_1t52 2
12
;
S
i-i+2
;
14 77 16 8 parsed_1t52 2
13
;
W
CaH-NH NOEs
i-i+1
assign (resid 3 and name HN )(resid 2 and name HA ) 3.0 1.2 0.5 !M
;
17 77 21 80 parsed_1t52 2
14 M 22 77 22 79 parsed_1t52 2
15 M 23 77 23 79 parsed_1t52 2
16 M 24 77 24 79 parsed_1t52 2
17 M 25 77 25 79 parsed_1t52 2
18 M 26 77 26 79 parsed_1t52 2
19 M 27 77 27 79 parsed_1t52 2
20 M 28 77 28 79 parsed_1t52 2
21 M 29 77 29 79 parsed_1t52 2
22 M 30 77 30 79 parsed_1t52 2
23
;
M
i-i+3
;
31 77 33 8 parsed_1t52 2
24 W 34 77 34 79 parsed_1t52 2
25 M+ 35 77 35 80 parsed_1t52 2
26 W 36 77 36 79 parsed_1t52 2
27 W 37 77 37 79 parsed_1t52 2
28 M+ 38 77 38 80 parsed_1t52 2
29 W 39 77 39 79 parsed_1t52 2
30 W 40 77 40 79 parsed_1t52 2
31 M+ 41 77 41 80 parsed_1t52 2
32
;
M
i-i+4
;
42 77 44 8 parsed_1t52 2
33 W 45 77 45 79 parsed_1t52 2
34 W 46 77 46 79 parsed_1t52 2
35
;
W
NH-Cb/Cg/CdH(sequential)
;
47 77 49 27 parsed_1t52 2
36 M 50 77 50 79 parsed_1t52 2
37 S 51 77 51 79 parsed_1t52 2
38 M+ 52 77 52 80 parsed_1t52 2
39 M+ 53 77 53 80 parsed_1t52 2
40 W 54 77 54 79 parsed_1t52 2
41 M 55 77 55 79 parsed_1t52 2
42 M 56 77 56 79 parsed_1t52 2
43 W 57 77 57 79 parsed_1t52 2
44 W 58 77 58 79 parsed_1t52 2
45 W 59 77 59 79 parsed_1t52 2
46
;
W
NH-Cb/Cg/CdH(i-i+2)
;
60 77 62 22 parsed_1t52 2
47
;
W
NH-Cb/Cg/CdH(i-i+3)
;
63 77 65 22 parsed_1t52 2
48 W 66 77 66 79 parsed_1t52 2
49 W 67 77 67 79 parsed_1t52 2
50 W 68 77 68 79 parsed_1t52 2
51
;
W
Other inter-residual NOEs (sequential)
;
69 77 71 41 parsed_1t52 2
52 W 72 77 72 79 parsed_1t52 2
53 W 73 77 73 79 parsed_1t52 2
54 M 74 77 74 79 parsed_1t52 2
55
;
W
Intra-residual NOEs
;
75 77 77 22 parsed_1t52 2
56 S 78 77 78 79 parsed_1t52 2
57 S 79 77 79 79 parsed_1t52 2
58 S 80 77 80 79 parsed_1t52 2
59 S 81 77 81 79 parsed_1t52 2
60 S 82 77 82 79 parsed_1t52 2
61 M 83 77 83 79 parsed_1t52 2
62 W 84 77 84 79 parsed_1t52 2
63 S 85 77 85 79 parsed_1t52 2
64 M+ 86 77 86 80 parsed_1t52 2
65 M+ 87 77 87 80 parsed_1t52 2
66 S+ 88 77 88 80 parsed_1t52 2
67 W 89 77 89 79 parsed_1t52 2
68 M 90 77 90 79 parsed_1t52 2
69 M 91 77 91 79 parsed_1t52 2
70 W 92 77 92 79 parsed_1t52 2
71 M 93 77 93 79 parsed_1t52 2
72 M 94 77 94 79 parsed_1t52 2
73 W 95 77 95 79 parsed_1t52 2
74 S 96 77 96 79 parsed_1t52 2
75 S 97 77 97 79 parsed_1t52 2
76 W 98 77 98 79 parsed_1t52 2
77 W 99 77 99 79 parsed_1t52 2
78 W 100 77 100 79 parsed_1t52 2
79 M 101 77 101 79 parsed_1t52 2
80 W 102 77 102 79 parsed_1t52 2
81 W 103 77 103 79 parsed_1t52 2
82 W 104 77 104 79 parsed_1t52 2
83 "message=on echo=on" 107 1 107 26 parsed_1t52 2
stop_
save_
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