NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
634623 |
6c0a   |
25902 | cing | 2-parsed | STAR | entry | full | 141 |
data_6c0a_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6c0a
_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_6c0a 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6c0a
_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 6c0a "Master copy" parsed_6c0a
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6c0a
_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 6c0a.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6c0a 1
1 6c0a.mr . . XPLOR/CNS 2 distance NOE ambi 6 parsed_6c0a 1
1 6c0a.mr . . XPLOR/CNS 3 distance NOE simple 73 parsed_6c0a 1
1 6c0a.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_6c0a 1
1 6c0a.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 62 parsed_6c0a 1
1 6c0a.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6c0a 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_6c0a
_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 SIGNALING PROTEIN 28-DEC-17 6C0A
*TITLE ACTININ-1 EF-HAND BOUND TO THE CAV1.2 IQ MOTIF
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: ALPHA-ACTININ-1;
*COMPND 3 CHAIN: A;
*COMPND 4 FRAGMENT: EF-HAND 3,4 (UNP RESIDUES 822-892);
*COMPND 5 SYNONYM: ALPHA-ACTININ CYTOSKELETAL ISOFORM, F-ACTIN CROSS-LINKING
*COMPND 6 PROTEIN, NON-MUSCLE ALPHA-ACTININ-1;
*COMPND 7 ENGINEERED: YES;
*COMPND 8 MOL_ID: 2;
*COMPND 9 MOLECULE: VOLTAGE-DEPENDENT L-TYPE CALCIUM CHANNEL SUBUNIT ALPHA-1C;
*COMPND 10 CHAIN: B;
*COMPND 11 FRAGMENT: IQ MOTIF (UNP RESIDUES 1587-1609);
*COMPND 12 SYNONYM: CALCIUM CHANNEL, L TYPE, ALPHA-1 POLYPEPTIDE, ISOFORM 1,
*COMPND 13 CARDIAC MUSCLE, VOLTAGE-GATED CALCIUM CHANNEL SUBUNIT ALPHA CAV1.2;
*COMPND 14 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;
*SOURCE 3 ORGANISM_COMMON: MOUSE;
*SOURCE 4 ORGANISM_TAXID: 10090;
*SOURCE 5 GENE: ACTN1;
*SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI 'BL21-GOLD(DE3)PLYSS AG';
*SOURCE 7 EXPRESSION_SYSTEM_TAXID: 866768;
*SOURCE 8 MOL_ID: 2;
*SOURCE 9 SYNTHETIC: YES;
*SOURCE 10 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 11 ORGANISM_COMMON: HUMAN;
*SOURCE 12 ORGANISM_TAXID: 9606
*KEYWDS ACTININ-1, EF HAND, CALCIUM CALMODULIN, NEURONAL SIGNALING, VOLTAGE
*KEYWDS 2 GATED CALCIUM CHANNEL, CAV1.2, VOLTAGE GATED CALCIUM CHANNEL 1.2,
*KEYWDS 3 HIPPOCAMPAL NEURONS, IQ MOTIF, SIGNALING PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 4
*AUTHOR M.L.TURNER,J.B.AMES
*REVDAT 1 16-JAN-19 6C0A 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6c0a
_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_6c0a 1
2 1 . . . parsed_6c0a 1
3 1 . . . parsed_6c0a 1
4 1 . . . parsed_6c0a 1
5 1 . . . parsed_6c0a 1
6 1 . . . parsed_6c0a 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 . . . . . . . . A 886 . HD1# parsed_6c0a 1
1 1 2 . . . . . . . . B 1658 . HD# parsed_6c0a 1
1 1 2 . . . . . . . . B 1658 . HE# parsed_6c0a 1
1 1 2 . . . . . . . . B 1658 . HZ parsed_6c0a 1
2 1 1 . . . . . . . . A 886 . HD2# parsed_6c0a 1
2 1 2 . . . . . . . . B 1657 . HE# parsed_6c0a 1
2 1 2 . . . . . . . . B 1661 . HD# parsed_6c0a 1
3 1 1 . . . . . . . . A 828 . HA parsed_6c0a 1
3 1 2 . . . . . . . . B 1653 . HD1# parsed_6c0a 1
3 1 2 . . . . . . . . B 1653 . HD2# parsed_6c0a 1
4 1 1 . . . . . . . . A 828 . HG# parsed_6c0a 1
4 1 2 . . . . . . . . B 1653 . HD1# parsed_6c0a 1
4 1 2 . . . . . . . . B 1653 . HD2# parsed_6c0a 1
5 1 1 . . . . . . . . B 1658 . HD# parsed_6c0a 1
5 1 2 . . . . . . . . A 852 . HD1# parsed_6c0a 1
5 1 2 . . . . . . . . A 852 . HD2# parsed_6c0a 1
6 1 1 . . . . . . . . B 1658 . HE# parsed_6c0a 1
6 1 2 . . . . . . . . A 852 . HD1# parsed_6c0a 1
6 1 2 . . . . . . . . A 852 . HD2# parsed_6c0a 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 . . . . . 2.0 0.0 5.0 parsed_6c0a 1
2 1 . . . . . 2.0 0.0 5.0 parsed_6c0a 1
3 1 . . . . . 2.0 0.0 5.0 parsed_6c0a 1
4 1 . . . . . 2.0 0.0 5.0 parsed_6c0a 1
5 1 . . . . . 2.0 0.0 5.0 parsed_6c0a 1
6 1 . . . . . 2.0 0.0 5.0 parsed_6c0a 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 "!!Ambiq Restraints!!" 2 1 2 22 parsed_6c0a 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: Ambiq_Restraints_15Mar16" 1 1 1 45 parsed_6c0a 1
2
;
assign ( segid A and resid 828 and name HE2#)
(
( segid B and resid 1649 and name HH
) 2.0 2.0 3.0
;
35 1 38 21 parsed_6c0a 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6c0a
_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_6c0a 2
2 1 . . . parsed_6c0a 2
3 1 . . . parsed_6c0a 2
4 1 . . . parsed_6c0a 2
5 1 . . . parsed_6c0a 2
6 1 . . . parsed_6c0a 2
7 1 . . . parsed_6c0a 2
8 1 . . . parsed_6c0a 2
9 1 . . . parsed_6c0a 2
10 1 . . . parsed_6c0a 2
11 1 . . . parsed_6c0a 2
12 1 . . . parsed_6c0a 2
13 1 . . . parsed_6c0a 2
14 1 . . . parsed_6c0a 2
15 1 . . . parsed_6c0a 2
16 1 . . . parsed_6c0a 2
17 1 . . . parsed_6c0a 2
18 1 . . . parsed_6c0a 2
19 1 . . . parsed_6c0a 2
20 1 . . . parsed_6c0a 2
21 1 . . . parsed_6c0a 2
22 1 . . . parsed_6c0a 2
23 1 . . . parsed_6c0a 2
24 1 . . . parsed_6c0a 2
25 1 . . . parsed_6c0a 2
26 1 . . . parsed_6c0a 2
27 1 . . . parsed_6c0a 2
28 1 . . . parsed_6c0a 2
29 1 . . . parsed_6c0a 2
30 1 . . . parsed_6c0a 2
31 1 . . . parsed_6c0a 2
32 1 . . . parsed_6c0a 2
33 1 . . . parsed_6c0a 2
34 1 . . . parsed_6c0a 2
35 1 . . . parsed_6c0a 2
36 1 . . . parsed_6c0a 2
37 1 . . . parsed_6c0a 2
38 1 . . . parsed_6c0a 2
39 1 . . . parsed_6c0a 2
40 1 . . . parsed_6c0a 2
41 1 . . . parsed_6c0a 2
42 1 . . . parsed_6c0a 2
43 1 . . . parsed_6c0a 2
44 1 . . . parsed_6c0a 2
45 1 . . . parsed_6c0a 2
46 1 . . . parsed_6c0a 2
47 1 . . . parsed_6c0a 2
48 1 . . . parsed_6c0a 2
49 1 . . . parsed_6c0a 2
50 1 . . . parsed_6c0a 2
51 1 . . . parsed_6c0a 2
52 1 . . . parsed_6c0a 2
53 1 . . . parsed_6c0a 2
54 1 . . . parsed_6c0a 2
55 1 . . . parsed_6c0a 2
56 1 . . . parsed_6c0a 2
57 1 . . . parsed_6c0a 2
58 1 . . . parsed_6c0a 2
59 1 . . . parsed_6c0a 2
60 1 . . . parsed_6c0a 2
61 1 . . . parsed_6c0a 2
62 1 . . . parsed_6c0a 2
63 1 . . . parsed_6c0a 2
64 1 . . . parsed_6c0a 2
65 1 . . . parsed_6c0a 2
66 1 . . . parsed_6c0a 2
67 1 . . . parsed_6c0a 2
68 1 . . . parsed_6c0a 2
69 1 . . . parsed_6c0a 2
70 1 . . . parsed_6c0a 2
71 1 . . . parsed_6c0a 2
72 1 . . . parsed_6c0a 2
73 1 . . . parsed_6c0a 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 . . . . . . . . A 825 . HA parsed_6c0a 2
1 1 2 . . . . . . . . A 828 . HB2 parsed_6c0a 2
2 1 1 . . . . . . . . A 826 . HA parsed_6c0a 2
2 1 2 . . . . . . . . A 829 . HB parsed_6c0a 2
3 1 1 . . . . . . . . A 827 . HA parsed_6c0a 2
3 1 2 . . . . . . . . A 830 . HB2 parsed_6c0a 2
4 1 1 . . . . . . . . A 828 . HA parsed_6c0a 2
4 1 2 . . . . . . . . A 831 . HB parsed_6c0a 2
5 1 1 . . . . . . . . A 829 . HA parsed_6c0a 2
5 1 2 . . . . . . . . A 832 . HB# parsed_6c0a 2
6 1 1 . . . . . . . . A 830 . HA parsed_6c0a 2
6 1 2 . . . . . . . . A 833 . HB2 parsed_6c0a 2
7 1 1 . . . . . . . . A 831 . HA parsed_6c0a 2
7 1 2 . . . . . . . . A 834 . HB2 parsed_6c0a 2
8 1 1 . . . . . . . . A 832 . HA parsed_6c0a 2
8 1 2 . . . . . . . . A 835 . HB parsed_6c0a 2
9 1 1 . . . . . . . . A 832 . HA parsed_6c0a 2
9 1 2 . . . . . . . . A 835 . HB parsed_6c0a 2
10 1 1 . . . . . . . . A 833 . HA parsed_6c0a 2
10 1 2 . . . . . . . . A 836 . HB2 parsed_6c0a 2
11 1 1 . . . . . . . . A 833 . HA parsed_6c0a 2
11 1 2 . . . . . . . . A 836 . HB3 parsed_6c0a 2
12 1 1 . . . . . . . . A 834 . HA parsed_6c0a 2
12 1 2 . . . . . . . . A 837 . HB parsed_6c0a 2
13 1 1 . . . . . . . . A 844 . HA parsed_6c0a 2
13 1 2 . . . . . . . . A 847 . HB3 parsed_6c0a 2
14 1 1 . . . . . . . . A 846 . HA parsed_6c0a 2
14 1 2 . . . . . . . . A 849 . HB3 parsed_6c0a 2
15 1 1 . . . . . . . . A 846 . HA parsed_6c0a 2
15 1 2 . . . . . . . . A 849 . HD3 parsed_6c0a 2
16 1 1 . . . . . . . . A 847 . HA parsed_6c0a 2
16 1 2 . . . . . . . . A 850 . HB2 parsed_6c0a 2
17 1 1 . . . . . . . . A 847 . HA parsed_6c0a 2
17 1 2 . . . . . . . . A 850 . HB3 parsed_6c0a 2
18 1 1 . . . . . . . . A 848 . HA parsed_6c0a 2
18 1 2 . . . . . . . . A 851 . HB2 parsed_6c0a 2
19 1 1 . . . . . . . . A 848 . HA parsed_6c0a 2
19 1 2 . . . . . . . . A 851 . HB3 parsed_6c0a 2
20 1 1 . . . . . . . . A 842 . HA parsed_6c0a 2
20 1 2 . . . . . . . . A 878 . HA parsed_6c0a 2
21 1 1 . . . . . . . . A 842 . HN parsed_6c0a 2
21 1 2 . . . . . . . . A 841 . HA parsed_6c0a 2
22 1 1 . . . . . . . . A 843 . HN parsed_6c0a 2
22 1 2 . . . . . . . . A 842 . HA parsed_6c0a 2
23 1 1 . . . . . . . . A 843 . HN parsed_6c0a 2
23 1 2 . . . . . . . . A 877 . HN parsed_6c0a 2
24 1 1 . . . . . . . . A 844 . HA parsed_6c0a 2
24 1 2 . . . . . . . . A 876 . HA parsed_6c0a 2
25 1 1 . . . . . . . . A 876 . HA parsed_6c0a 2
25 1 2 . . . . . . . . A 844 . HA parsed_6c0a 2
26 1 1 . . . . . . . . A 877 . HN parsed_6c0a 2
26 1 2 . . . . . . . . A 843 . HN parsed_6c0a 2
27 1 1 . . . . . . . . A 878 . HA parsed_6c0a 2
27 1 2 . . . . . . . . A 842 . HA parsed_6c0a 2
28 1 1 . . . . . . . . A 878 . HN parsed_6c0a 2
28 1 2 . . . . . . . . A 877 . HA parsed_6c0a 2
29 1 1 . . . . . . . . A 879 . HN parsed_6c0a 2
29 1 2 . . . . . . . . A 842 . HA parsed_6c0a 2
30 1 1 . . . . . . . . A 879 . HN parsed_6c0a 2
30 1 2 . . . . . . . . A 878 . HA parsed_6c0a 2
31 1 1 . . . . . . . . A 855 . HA parsed_6c0a 2
31 1 2 . . . . . . . . A 858 . HB3 parsed_6c0a 2
32 1 1 . . . . . . . . A 856 . HA parsed_6c0a 2
32 1 2 . . . . . . . . A 859 . HB3 parsed_6c0a 2
33 1 1 . . . . . . . . A 857 . HA parsed_6c0a 2
33 1 2 . . . . . . . . A 860 . HB2 parsed_6c0a 2
34 1 1 . . . . . . . . A 857 . HA parsed_6c0a 2
34 1 2 . . . . . . . . A 860 . HB3 parsed_6c0a 2
35 1 1 . . . . . . . . A 858 . HA parsed_6c0a 2
35 1 2 . . . . . . . . A 861 . HB parsed_6c0a 2
36 1 1 . . . . . . . . A 859 . HA parsed_6c0a 2
36 1 2 . . . . . . . . A 862 . HB parsed_6c0a 2
37 1 1 . . . . . . . . A 860 . HA parsed_6c0a 2
37 1 2 . . . . . . . . A 863 . HB2 parsed_6c0a 2
38 1 1 . . . . . . . . A 860 . HA parsed_6c0a 2
38 1 2 . . . . . . . . A 863 . HB3 parsed_6c0a 2
39 1 1 . . . . . . . . A 881 . HA parsed_6c0a 2
39 1 2 . . . . . . . . A 884 . HB parsed_6c0a 2
40 1 1 . . . . . . . . A 882 . HA parsed_6c0a 2
40 1 2 . . . . . . . . A 885 . HB parsed_6c0a 2
41 1 1 . . . . . . . . A 883 . HA parsed_6c0a 2
41 1 2 . . . . . . . . A 886 . HB# parsed_6c0a 2
42 1 1 . . . . . . . . A 884 . HA parsed_6c0a 2
42 1 2 . . . . . . . . A 887 . HB# parsed_6c0a 2
43 1 1 . . . . . . . . A 867 . HN parsed_6c0a 2
43 1 2 . . . . . . . . A 878 . HN parsed_6c0a 2
44 1 1 . . . . . . . . A 867 . HB2 parsed_6c0a 2
44 1 2 . . . . . . . . A 877 . HG parsed_6c0a 2
45 1 1 . . . . . . . . A 867 . HB3 parsed_6c0a 2
45 1 2 . . . . . . . . A 877 . HG parsed_6c0a 2
46 1 1 . . . . . . . . A 868 . HB parsed_6c0a 2
46 1 2 . . . . . . . . A 877 . HG parsed_6c0a 2
47 1 1 . . . . . . . . A 869 . HA2 parsed_6c0a 2
47 1 2 . . . . . . . . A 867 . HD# parsed_6c0a 2
48 1 1 . . . . . . . . A 869 . HA3 parsed_6c0a 2
48 1 2 . . . . . . . . A 867 . HD# parsed_6c0a 2
49 1 1 . . . . . . . . A 872 . HA parsed_6c0a 2
49 1 2 . . . . . . . . A 867 . HD# parsed_6c0a 2
50 1 1 . . . . . . . . A 872 . HB# parsed_6c0a 2
50 1 2 . . . . . . . . A 867 . HD# parsed_6c0a 2
51 1 1 . . . . . . . . A 873 . HG1# parsed_6c0a 2
51 1 2 . . . . . . . . A 867 . HD# parsed_6c0a 2
52 1 1 . . . . . . . . A 873 . HG2# parsed_6c0a 2
52 1 2 . . . . . . . . A 842 . HD# parsed_6c0a 2
53 1 1 . . . . . . . . A 873 . HG2# parsed_6c0a 2
53 1 2 . . . . . . . . A 867 . HD# parsed_6c0a 2
54 1 1 . . . . . . . . A 878 . HN parsed_6c0a 2
54 1 2 . . . . . . . . A 867 . HN parsed_6c0a 2
55 1 1 . . . . . . . . A 878 . HN parsed_6c0a 2
55 1 2 . . . . . . . . A 867 . HD# parsed_6c0a 2
56 1 1 . . . . . . . . A 882 . HA parsed_6c0a 2
56 1 2 . . . . . . . . A 864 . HG# parsed_6c0a 2
57 1 1 . . . . . . . . A 882 . HB# parsed_6c0a 2
57 1 2 . . . . . . . . A 864 . HG# parsed_6c0a 2
58 1 1 . . . . . . . . A 882 . HB# parsed_6c0a 2
58 1 2 . . . . . . . . A 864 . HE parsed_6c0a 2
59 1 1 . . . . . . . . A 885 . HB parsed_6c0a 2
59 1 2 . . . . . . . . A 863 . HD# parsed_6c0a 2
60 1 1 . . . . . . . . A 836 . HD2# parsed_6c0a 2
60 1 2 . . . . . . . . A 833 . HD# parsed_6c0a 2
61 1 1 . . . . . . . . A 826 . HB parsed_6c0a 2
61 1 2 . . . . . . . . A 887 . HD# parsed_6c0a 2
62 1 1 . . . . . . . . A 833 . HD# parsed_6c0a 2
62 1 2 . . . . . . . . B 1654 . HD1# parsed_6c0a 2
63 1 1 . . . . . . . . A 836 . HD2# parsed_6c0a 2
63 1 2 . . . . . . . . B 1654 . HD1# parsed_6c0a 2
64 1 1 . . . . . . . . A 833 . HD# parsed_6c0a 2
64 1 2 . . . . . . . . B 1654 . HG2# parsed_6c0a 2
65 1 1 . . . . . . . . A 847 . OE# parsed_6c0a 2
65 1 2 . . . . . . . . B 1647 . HZ# parsed_6c0a 2
66 1 1 . . . . . . . . A 851 . OE# parsed_6c0a 2
66 1 2 . . . . . . . . B 1647 . HZ# parsed_6c0a 2
67 1 1 . . . . . . . . A 835 . HD1# parsed_6c0a 2
67 1 2 . . . . . . . . B 1650 . HB# parsed_6c0a 2
68 1 1 . . . . . . . . A 886 . HD1# parsed_6c0a 2
68 1 2 . . . . . . . . B 1657 . HD# parsed_6c0a 2
69 1 1 . . . . . . . . A 886 . HD1# parsed_6c0a 2
69 1 2 . . . . . . . . B 1657 . HE# parsed_6c0a 2
70 1 1 . . . . . . . . A 886 . HD1# parsed_6c0a 2
70 1 2 . . . . . . . . B 1658 . HD# parsed_6c0a 2
71 1 1 . . . . . . . . A 886 . HD2# parsed_6c0a 2
71 1 2 . . . . . . . . B 1658 . HD# parsed_6c0a 2
72 1 1 . . . . . . . . A 886 . HD2# parsed_6c0a 2
72 1 2 . . . . . . . . B 1658 . HE# parsed_6c0a 2
73 1 1 . . . . . . . . A 886 . HD1# parsed_6c0a 2
73 1 2 . . . . . . . . B 1661 . HE# parsed_6c0a 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 . . . . . 0.0 0.0 2.5 parsed_6c0a 2
2 1 . . . . . 0.0 0.0 2.5 parsed_6c0a 2
3 1 . . . . . 0.0 0.0 2.5 parsed_6c0a 2
4 1 . . . . . 0.0 0.0 2.5 parsed_6c0a 2
5 1 . . . . . 0.0 0.0 2.5 parsed_6c0a 2
6 1 . . . . . 0.0 0.0 2.5 parsed_6c0a 2
7 1 . . . . . 0.0 0.0 2.5 parsed_6c0a 2
8 1 . . . . . 0.0 0.0 2.5 parsed_6c0a 2
9 1 . . . . . 0.0 0.0 2.5 parsed_6c0a 2
10 1 . . . . . 0.0 0.0 2.5 parsed_6c0a 2
11 1 . . . . . 0.0 0.0 2.5 parsed_6c0a 2
12 1 . . . . . 0.0 0.0 2.5 parsed_6c0a 2
13 1 . . . . . 0.0 0.0 2.5 parsed_6c0a 2
14 1 . . . . . 0.0 0.0 2.5 parsed_6c0a 2
15 1 . . . . . 2.0 0.0 2.0 parsed_6c0a 2
16 1 . . . . . 0.0 0.0 2.5 parsed_6c0a 2
17 1 . . . . . 0.0 0.0 2.5 parsed_6c0a 2
18 1 . . . . . 0.0 0.0 2.5 parsed_6c0a 2
19 1 . . . . . 0.0 0.0 2.5 parsed_6c0a 2
20 1 . . . . . 0.0 0.0 2.5 parsed_6c0a 2
21 1 . . . . . 0.0 0.0 3.2 parsed_6c0a 2
22 1 . . . . . 0.0 0.0 3.2 parsed_6c0a 2
23 1 . . . . . 0.0 0.0 3.3 parsed_6c0a 2
24 1 . . . . . 0.0 0.0 2.5 parsed_6c0a 2
25 1 . . . . . 0.0 0.0 2.5 parsed_6c0a 2
26 1 . . . . . 0.0 0.0 3.3 parsed_6c0a 2
27 1 . . . . . 0.0 0.0 2.5 parsed_6c0a 2
28 1 . . . . . 0.0 0.0 3.2 parsed_6c0a 2
29 1 . . . . . 0.0 0.0 4.0 parsed_6c0a 2
30 1 . . . . . 0.0 0.0 3.2 parsed_6c0a 2
31 1 . . . . . 0.0 0.0 2.5 parsed_6c0a 2
32 1 . . . . . 0.0 0.0 2.5 parsed_6c0a 2
33 1 . . . . . 0.0 0.0 2.5 parsed_6c0a 2
34 1 . . . . . 0.0 0.0 2.5 parsed_6c0a 2
35 1 . . . . . 0.0 0.0 2.5 parsed_6c0a 2
36 1 . . . . . 0.0 0.0 2.5 parsed_6c0a 2
37 1 . . . . . 0.0 0.0 2.5 parsed_6c0a 2
38 1 . . . . . 0.0 0.0 2.5 parsed_6c0a 2
39 1 . . . . . 0.0 0.0 2.5 parsed_6c0a 2
40 1 . . . . . 0.0 0.0 2.5 parsed_6c0a 2
41 1 . . . . . 0.0 0.0 2.5 parsed_6c0a 2
42 1 . . . . . 0.0 0.0 2.5 parsed_6c0a 2
43 1 . . . . . 2.0 0.0 2.0 parsed_6c0a 2
44 1 . . . . . 2.0 0.0 2.0 parsed_6c0a 2
45 1 . . . . . 2.0 0.0 2.0 parsed_6c0a 2
46 1 . . . . . 2.0 0.0 2.0 parsed_6c0a 2
47 1 . . . . . 2.0 0.0 2.0 parsed_6c0a 2
48 1 . . . . . 2.0 0.0 2.0 parsed_6c0a 2
49 1 . . . . . 2.0 0.0 2.0 parsed_6c0a 2
50 1 . . . . . 2.0 0.0 2.0 parsed_6c0a 2
51 1 . . . . . 2.0 0.0 2.0 parsed_6c0a 2
52 1 . . . . . 2.0 0.0 2.0 parsed_6c0a 2
53 1 . . . . . 2.0 0.0 2.0 parsed_6c0a 2
54 1 . . . . . 2.0 0.0 2.0 parsed_6c0a 2
55 1 . . . . . 2.0 0.0 2.0 parsed_6c0a 2
56 1 . . . . . 2.0 0.0 5.0 parsed_6c0a 2
57 1 . . . . . 2.0 0.0 5.0 parsed_6c0a 2
58 1 . . . . . 2.0 0.0 5.0 parsed_6c0a 2
59 1 . . . . . 2.0 0.0 5.0 parsed_6c0a 2
60 1 . . . . . 2.0 0.0 5.0 parsed_6c0a 2
61 1 . . . . . 2.0 0.0 5.0 parsed_6c0a 2
62 1 . . . . . 2.0 0.0 5.0 parsed_6c0a 2
63 1 . . . . . 2.0 0.0 5.0 parsed_6c0a 2
64 1 . . . . . 2.0 0.0 5.0 parsed_6c0a 2
65 1 . . . . . 2.0 0.0 2.0 parsed_6c0a 2
66 1 . . . . . 2.0 0.0 2.0 parsed_6c0a 2
67 1 . . . . . 2.0 0.0 5.0 parsed_6c0a 2
68 1 . . . . . 2.0 0.0 5.0 parsed_6c0a 2
69 1 . . . . . 2.0 0.0 5.0 parsed_6c0a 2
70 1 . . . . . 2.0 0.0 5.0 parsed_6c0a 2
71 1 . . . . . 2.0 0.0 5.0 parsed_6c0a 2
72 1 . . . . . 2.0 0.0 5.0 parsed_6c0a 2
73 1 . . . . . 2.0 0.0 5.0 parsed_6c0a 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
;
!!Xplor NIH Convention assign (selection 1) (selection 2) d d- d+ where d is distance.
!! segid A: aEF_Clobe
!! segid B: Cav1.2 IQ (1-25)
!!! perturbation residue number
!!! aEF_clobe: 827,828,829,834,835,836,838,839,840,841,843,844,848,849,851,852,856,857,858,860,861,863,864,865,882,883,885,886,887,888,889
!!! Cav1.2:
!!! Flexible region
!!! aEF_clobe:
!!! Cav1.2IQ:
!!Intramolecular NOE
!!Alpha Helix 1!!!
;
2 1 18 20 parsed_6c0a 2
2 "!!Alpha Helix 2!!!" 32 1 32 20 parsed_6c0a 2
3 "!!Beta Sheet 1!!!" 41 1 41 20 parsed_6c0a 2
4 "!!Alpha Helix 3!!!" 54 1 54 20 parsed_6c0a 2
5 "!!Alpha Helix 4!!!" 65 1 65 20 parsed_6c0a 2
6
;
!!Tertiary Structure!!!
!!Loop Interaction with Beta Sheet!!!
;
71 1 72 39 parsed_6c0a 2
7 "!!Long Range NOE!!!" 87 1 87 21 parsed_6c0a 2
8 "!!Intermolecular NOE" 95 1 95 23 parsed_6c0a 2
9 "!!Intermolecular NOE (March 15 2016)" 103 1 103 38 parsed_6c0a 2
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 2: Docking_unambiq_15Mar16.txt" 1 1 1 48 parsed_6c0a 2
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_6c0a
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 4
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint_parse_err.ID
_RDC_constraint_parse_err.Content
_RDC_constraint_parse_err.Begin_line
_RDC_constraint_parse_err.Begin_column
_RDC_constraint_parse_err.End_line
_RDC_constraint_parse_err.End_column
_RDC_constraint_parse_err.Entry_ID
_RDC_constraint_parse_err.RDC_constraint_list_ID
1
;
# Restraints file 3: aEF_RDC_Final.txt
DATA SEQUENCE DTADQVMASFKILAGDKNYITMDELRRELPPDQAEYCIARMAPYTGPDSVPGALDYMSFSTALYGESDL
DATA SEQUENCE TVGKFYATFLIQEYFRKFKKRKEQG
VARS RESID_I RESNAME_I ATOMNAME_I RESID_J RESNAME_J ATOMNAME_J D DD W
FORMAT %5d %6s %6s %5d %6s %6s %9.3f %9.3f %.2f
824 ASP N 824 ASP HN -1.950 1 1
825 THR N 825 THR HN 2.520 1 1
826 ALA N 826 ALA HN -7.470 1 1
827 ASP N 827 ASP HN -7.780 1 1
829 VAL N 829 VAL HN -12.480 1 1
833 PHE N 833 PHE HN -13.280 1 1
834 LYS N 834 LYS HN -15.090 1 1
835 ILE N 835 ILE HN -0.330 1 1
837 ALA N 837 ALA HN -11.150 1 1
839 ASP N 839 ASP HN 14.100 1 1
844 THR N 844 THR HN 6.240 1 1
845 MET N 845 MET HN 14.040 1 1
846 ASP N 846 ASP HN 8.030 1 1
849 ARG N 849 ARG HN 9.660 1 1
851 GLU N 851 GLU HN 17.860 1 1
856 GLN N 856 GLN HN 3.650 1 1
857 ALA N 857 ALA HN 6.820 1 1
858 GLU N 858 GLU HN 9.130 1 1
859 TYR N 859 TYR HN 15.640 1 1
860 CYS N 860 CYS HN 7.060 1 1
862 ALA N 862 ALA HN 12.490 1 1
863 ARG N 863 ARG HN 7.220 1 1
865 ALA N 865 ALA HN 1.700 1 1
867 TYR N 867 TYR HN -1.020 1 1
868 THR N 868 THR HN 7.700 1 1
871 ASP N 871 ASP HN -8.430 1 1
872 SER N 872 SER HN 8.760 1 1
873 VAL N 873 VAL HN -10.780 1 1
875 GLY N 875 GLY HN 8.920 1 1
879 TYR N 879 TYR HN -14.510 1 1
880 MET N 880 MET HN -4.770 1 1
881 SER N 881 SER HN -11.100 1 1
888 GLY N 888 GLY HN -1.050 1 1
890 SER N 890 SER HN 0.730 1 1
1654 ILE N 1654 ILE HN -14.680 1 1
1658 PHE N 1658 PHE HN -19.690 1 1
;
1 1 43 65 parsed_6c0a 1
stop_
save_
save_CNS/XPLOR_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6c0a
_Distance_constraint_list.ID 3
_Distance_constraint_list.Constraint_type "hydrogen bond"
_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_6c0a 3
2 1 . . . parsed_6c0a 3
3 1 . . . parsed_6c0a 3
4 1 . . . parsed_6c0a 3
5 1 . . . parsed_6c0a 3
6 1 . . . parsed_6c0a 3
7 1 . . . parsed_6c0a 3
8 1 . . . parsed_6c0a 3
9 1 . . . parsed_6c0a 3
10 1 . . . parsed_6c0a 3
11 1 . . . parsed_6c0a 3
12 1 . . . parsed_6c0a 3
13 1 . . . parsed_6c0a 3
14 1 . . . parsed_6c0a 3
15 1 . . . parsed_6c0a 3
16 1 . . . parsed_6c0a 3
17 1 . . . parsed_6c0a 3
18 1 . . . parsed_6c0a 3
19 1 . . . parsed_6c0a 3
20 1 . . . parsed_6c0a 3
21 1 . . . parsed_6c0a 3
22 1 . . . parsed_6c0a 3
23 1 . . . parsed_6c0a 3
24 1 . . . parsed_6c0a 3
25 1 . . . parsed_6c0a 3
26 1 . . . parsed_6c0a 3
27 1 . . . parsed_6c0a 3
28 1 . . . parsed_6c0a 3
29 1 . . . parsed_6c0a 3
30 1 . . . parsed_6c0a 3
31 1 . . . parsed_6c0a 3
32 1 . . . parsed_6c0a 3
33 1 . . . parsed_6c0a 3
34 1 . . . parsed_6c0a 3
35 1 . . . parsed_6c0a 3
36 1 . . . parsed_6c0a 3
37 1 . . . parsed_6c0a 3
38 1 . . . parsed_6c0a 3
39 1 . . . parsed_6c0a 3
40 1 . . . parsed_6c0a 3
41 1 . . . parsed_6c0a 3
42 1 . . . parsed_6c0a 3
43 1 . . . parsed_6c0a 3
44 1 . . . parsed_6c0a 3
45 1 . . . parsed_6c0a 3
46 1 . . . parsed_6c0a 3
47 1 . . . parsed_6c0a 3
48 1 . . . parsed_6c0a 3
49 1 . . . parsed_6c0a 3
50 1 . . . parsed_6c0a 3
51 1 . . . parsed_6c0a 3
52 1 . . . parsed_6c0a 3
53 1 . . . parsed_6c0a 3
54 1 . . . parsed_6c0a 3
55 1 . . . parsed_6c0a 3
56 1 . . . parsed_6c0a 3
57 1 . . . parsed_6c0a 3
58 1 . . . parsed_6c0a 3
59 1 . . . parsed_6c0a 3
60 1 . . . parsed_6c0a 3
61 1 . . . parsed_6c0a 3
62 1 . . . parsed_6c0a 3
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 . . . . . . . . A 825 . O parsed_6c0a 3
1 1 2 . . . . . . . . A 829 . N parsed_6c0a 3
2 1 1 . . . . . . . . A 825 . O parsed_6c0a 3
2 1 2 . . . . . . . . A 829 . HN parsed_6c0a 3
3 1 1 . . . . . . . . A 826 . O parsed_6c0a 3
3 1 2 . . . . . . . . A 830 . N parsed_6c0a 3
4 1 1 . . . . . . . . A 826 . O parsed_6c0a 3
4 1 2 . . . . . . . . A 830 . HN parsed_6c0a 3
5 1 1 . . . . . . . . A 827 . O parsed_6c0a 3
5 1 2 . . . . . . . . A 831 . N parsed_6c0a 3
6 1 1 . . . . . . . . A 827 . O parsed_6c0a 3
6 1 2 . . . . . . . . A 831 . HN parsed_6c0a 3
7 1 1 . . . . . . . . A 828 . O parsed_6c0a 3
7 1 2 . . . . . . . . A 832 . N parsed_6c0a 3
8 1 1 . . . . . . . . A 828 . O parsed_6c0a 3
8 1 2 . . . . . . . . A 832 . HN parsed_6c0a 3
9 1 1 . . . . . . . . A 829 . O parsed_6c0a 3
9 1 2 . . . . . . . . A 833 . N parsed_6c0a 3
10 1 1 . . . . . . . . A 829 . O parsed_6c0a 3
10 1 2 . . . . . . . . A 833 . HN parsed_6c0a 3
11 1 1 . . . . . . . . A 830 . O parsed_6c0a 3
11 1 2 . . . . . . . . A 834 . N parsed_6c0a 3
12 1 1 . . . . . . . . A 830 . O parsed_6c0a 3
12 1 2 . . . . . . . . A 834 . HN parsed_6c0a 3
13 1 1 . . . . . . . . A 831 . O parsed_6c0a 3
13 1 2 . . . . . . . . A 835 . N parsed_6c0a 3
14 1 1 . . . . . . . . A 831 . O parsed_6c0a 3
14 1 2 . . . . . . . . A 835 . HN parsed_6c0a 3
15 1 1 . . . . . . . . A 832 . O parsed_6c0a 3
15 1 2 . . . . . . . . A 836 . N parsed_6c0a 3
16 1 1 . . . . . . . . A 832 . O parsed_6c0a 3
16 1 2 . . . . . . . . A 836 . HN parsed_6c0a 3
17 1 1 . . . . . . . . A 843 . O parsed_6c0a 3
17 1 2 . . . . . . . . A 877 . HN parsed_6c0a 3
18 1 1 . . . . . . . . A 877 . O parsed_6c0a 3
18 1 2 . . . . . . . . A 843 . HN parsed_6c0a 3
19 1 1 . . . . . . . . A 844 . O parsed_6c0a 3
19 1 2 . . . . . . . . A 848 . N parsed_6c0a 3
20 1 1 . . . . . . . . A 844 . O parsed_6c0a 3
20 1 2 . . . . . . . . A 848 . HN parsed_6c0a 3
21 1 1 . . . . . . . . A 845 . O parsed_6c0a 3
21 1 2 . . . . . . . . A 849 . N parsed_6c0a 3
22 1 1 . . . . . . . . A 845 . O parsed_6c0a 3
22 1 2 . . . . . . . . A 849 . HN parsed_6c0a 3
23 1 1 . . . . . . . . A 846 . O parsed_6c0a 3
23 1 2 . . . . . . . . A 850 . N parsed_6c0a 3
24 1 1 . . . . . . . . A 846 . O parsed_6c0a 3
24 1 2 . . . . . . . . A 850 . HN parsed_6c0a 3
25 1 1 . . . . . . . . A 855 . O parsed_6c0a 3
25 1 2 . . . . . . . . A 859 . N parsed_6c0a 3
26 1 1 . . . . . . . . A 855 . O parsed_6c0a 3
26 1 2 . . . . . . . . A 859 . HN parsed_6c0a 3
27 1 1 . . . . . . . . A 856 . O parsed_6c0a 3
27 1 2 . . . . . . . . A 860 . N parsed_6c0a 3
28 1 1 . . . . . . . . A 856 . O parsed_6c0a 3
28 1 2 . . . . . . . . A 860 . HN parsed_6c0a 3
29 1 1 . . . . . . . . A 857 . O parsed_6c0a 3
29 1 2 . . . . . . . . A 861 . N parsed_6c0a 3
30 1 1 . . . . . . . . A 857 . O parsed_6c0a 3
30 1 2 . . . . . . . . A 861 . HN parsed_6c0a 3
31 1 1 . . . . . . . . A 858 . O parsed_6c0a 3
31 1 2 . . . . . . . . A 862 . N parsed_6c0a 3
32 1 1 . . . . . . . . A 858 . O parsed_6c0a 3
32 1 2 . . . . . . . . A 862 . HN parsed_6c0a 3
33 1 1 . . . . . . . . A 881 . O parsed_6c0a 3
33 1 2 . . . . . . . . A 885 . N parsed_6c0a 3
34 1 1 . . . . . . . . A 881 . O parsed_6c0a 3
34 1 2 . . . . . . . . A 885 . HN parsed_6c0a 3
35 1 1 . . . . . . . . A 882 . O parsed_6c0a 3
35 1 2 . . . . . . . . A 886 . N parsed_6c0a 3
36 1 1 . . . . . . . . A 882 . O parsed_6c0a 3
36 1 2 . . . . . . . . A 886 . HN parsed_6c0a 3
37 1 1 . . . . . . . . A 883 . O parsed_6c0a 3
37 1 2 . . . . . . . . A 887 . N parsed_6c0a 3
38 1 1 . . . . . . . . A 883 . O parsed_6c0a 3
38 1 2 . . . . . . . . A 887 . HN parsed_6c0a 3
39 1 1 . . . . . . . . B 1647 . O parsed_6c0a 3
39 1 2 . . . . . . . . B 1651 . N parsed_6c0a 3
40 1 1 . . . . . . . . B 1647 . O parsed_6c0a 3
40 1 2 . . . . . . . . B 1651 . HN parsed_6c0a 3
41 1 1 . . . . . . . . B 1648 . O parsed_6c0a 3
41 1 2 . . . . . . . . B 1652 . N parsed_6c0a 3
42 1 1 . . . . . . . . B 1648 . O parsed_6c0a 3
42 1 2 . . . . . . . . B 1652 . HN parsed_6c0a 3
43 1 1 . . . . . . . . B 1649 . O parsed_6c0a 3
43 1 2 . . . . . . . . B 1653 . N parsed_6c0a 3
44 1 1 . . . . . . . . B 1649 . O parsed_6c0a 3
44 1 2 . . . . . . . . B 1653 . HN parsed_6c0a 3
45 1 1 . . . . . . . . B 1650 . O parsed_6c0a 3
45 1 2 . . . . . . . . B 1654 . N parsed_6c0a 3
46 1 1 . . . . . . . . B 1650 . O parsed_6c0a 3
46 1 2 . . . . . . . . B 1654 . HN parsed_6c0a 3
47 1 1 . . . . . . . . B 1651 . O parsed_6c0a 3
47 1 2 . . . . . . . . B 1655 . N parsed_6c0a 3
48 1 1 . . . . . . . . B 1651 . O parsed_6c0a 3
48 1 2 . . . . . . . . B 1655 . HN parsed_6c0a 3
49 1 1 . . . . . . . . B 1652 . O parsed_6c0a 3
49 1 2 . . . . . . . . B 1656 . N parsed_6c0a 3
50 1 1 . . . . . . . . B 1652 . O parsed_6c0a 3
50 1 2 . . . . . . . . B 1656 . HN parsed_6c0a 3
51 1 1 . . . . . . . . B 1653 . O parsed_6c0a 3
51 1 2 . . . . . . . . B 1657 . N parsed_6c0a 3
52 1 1 . . . . . . . . B 1653 . O parsed_6c0a 3
52 1 2 . . . . . . . . B 1657 . HN parsed_6c0a 3
53 1 1 . . . . . . . . B 1654 . O parsed_6c0a 3
53 1 2 . . . . . . . . B 1658 . N parsed_6c0a 3
54 1 1 . . . . . . . . B 1654 . O parsed_6c0a 3
54 1 2 . . . . . . . . B 1658 . HN parsed_6c0a 3
55 1 1 . . . . . . . . B 1655 . O parsed_6c0a 3
55 1 2 . . . . . . . . B 1659 . N parsed_6c0a 3
56 1 1 . . . . . . . . B 1655 . O parsed_6c0a 3
56 1 2 . . . . . . . . B 1659 . HN parsed_6c0a 3
57 1 1 . . . . . . . . B 1656 . O parsed_6c0a 3
57 1 2 . . . . . . . . B 1660 . N parsed_6c0a 3
58 1 1 . . . . . . . . B 1656 . O parsed_6c0a 3
58 1 2 . . . . . . . . B 1660 . HN parsed_6c0a 3
59 1 1 . . . . . . . . B 1657 . O parsed_6c0a 3
59 1 2 . . . . . . . . B 1661 . N parsed_6c0a 3
60 1 1 . . . . . . . . B 1657 . O parsed_6c0a 3
60 1 2 . . . . . . . . B 1661 . HN parsed_6c0a 3
61 1 1 . . . . . . . . B 1658 . O parsed_6c0a 3
61 1 2 . . . . . . . . B 1662 . N parsed_6c0a 3
62 1 1 . . . . . . . . B 1658 . O parsed_6c0a 3
62 1 2 . . . . . . . . B 1662 . HN parsed_6c0a 3
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 0.0 0.0 3.3 parsed_6c0a 3
2 1 . . . . . 0.0 0.0 2.3 parsed_6c0a 3
3 1 . . . . . 0.0 0.0 3.3 parsed_6c0a 3
4 1 . . . . . 0.0 0.0 2.3 parsed_6c0a 3
5 1 . . . . . 0.0 0.0 3.3 parsed_6c0a 3
6 1 . . . . . 0.0 0.0 2.3 parsed_6c0a 3
7 1 . . . . . 0.0 0.0 3.3 parsed_6c0a 3
8 1 . . . . . 0.0 0.0 2.3 parsed_6c0a 3
9 1 . . . . . 0.0 0.0 3.3 parsed_6c0a 3
10 1 . . . . . 0.0 0.0 2.3 parsed_6c0a 3
11 1 . . . . . 0.0 0.0 3.3 parsed_6c0a 3
12 1 . . . . . 0.0 0.0 2.3 parsed_6c0a 3
13 1 . . . . . 0.0 0.0 3.3 parsed_6c0a 3
14 1 . . . . . 0.0 0.0 2.3 parsed_6c0a 3
15 1 . . . . . 0.0 0.0 3.3 parsed_6c0a 3
16 1 . . . . . 0.0 0.0 2.3 parsed_6c0a 3
17 1 . . . . . 0.0 0.0 2.3 parsed_6c0a 3
18 1 . . . . . 0.0 0.0 2.3 parsed_6c0a 3
19 1 . . . . . 0.0 0.0 3.3 parsed_6c0a 3
20 1 . . . . . 0.0 0.0 2.3 parsed_6c0a 3
21 1 . . . . . 0.0 0.0 3.3 parsed_6c0a 3
22 1 . . . . . 0.0 0.0 2.3 parsed_6c0a 3
23 1 . . . . . 0.0 0.0 3.3 parsed_6c0a 3
24 1 . . . . . 0.0 0.0 2.3 parsed_6c0a 3
25 1 . . . . . 0.0 0.0 3.3 parsed_6c0a 3
26 1 . . . . . 0.0 0.0 2.3 parsed_6c0a 3
27 1 . . . . . 0.0 0.0 3.3 parsed_6c0a 3
28 1 . . . . . 0.0 0.0 2.3 parsed_6c0a 3
29 1 . . . . . 0.0 0.0 3.3 parsed_6c0a 3
30 1 . . . . . 0.0 0.0 2.3 parsed_6c0a 3
31 1 . . . . . 0.0 0.0 3.3 parsed_6c0a 3
32 1 . . . . . 0.0 0.0 2.3 parsed_6c0a 3
33 1 . . . . . 0.0 0.0 3.3 parsed_6c0a 3
34 1 . . . . . 0.0 0.0 2.3 parsed_6c0a 3
35 1 . . . . . 0.0 0.0 3.3 parsed_6c0a 3
36 1 . . . . . 0.0 0.0 2.3 parsed_6c0a 3
37 1 . . . . . 0.0 0.0 3.3 parsed_6c0a 3
38 1 . . . . . 0.0 0.0 2.3 parsed_6c0a 3
39 1 . . . . . 0.0 0.0 3.3 parsed_6c0a 3
40 1 . . . . . 0.0 0.0 2.3 parsed_6c0a 3
41 1 . . . . . 0.0 0.0 3.3 parsed_6c0a 3
42 1 . . . . . 0.0 0.0 2.3 parsed_6c0a 3
43 1 . . . . . 0.0 0.0 3.3 parsed_6c0a 3
44 1 . . . . . 0.0 0.0 2.3 parsed_6c0a 3
45 1 . . . . . 0.0 0.0 3.3 parsed_6c0a 3
46 1 . . . . . 0.0 0.0 2.3 parsed_6c0a 3
47 1 . . . . . 0.0 0.0 3.3 parsed_6c0a 3
48 1 . . . . . 0.0 0.0 2.3 parsed_6c0a 3
49 1 . . . . . 0.0 0.0 3.3 parsed_6c0a 3
50 1 . . . . . 0.0 0.0 2.3 parsed_6c0a 3
51 1 . . . . . 0.0 0.0 3.3 parsed_6c0a 3
52 1 . . . . . 0.0 0.0 2.3 parsed_6c0a 3
53 1 . . . . . 0.0 0.0 3.3 parsed_6c0a 3
54 1 . . . . . 0.0 0.0 2.3 parsed_6c0a 3
55 1 . . . . . 0.0 0.0 3.3 parsed_6c0a 3
56 1 . . . . . 0.0 0.0 2.3 parsed_6c0a 3
57 1 . . . . . 0.0 0.0 3.3 parsed_6c0a 3
58 1 . . . . . 0.0 0.0 2.3 parsed_6c0a 3
59 1 . . . . . 0.0 0.0 3.3 parsed_6c0a 3
60 1 . . . . . 0.0 0.0 2.3 parsed_6c0a 3
61 1 . . . . . 0.0 0.0 3.3 parsed_6c0a 3
62 1 . . . . . 0.0 0.0 2.3 parsed_6c0a 3
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
;
!!!Hydrogen Bonding Restraints
!!aEF_Clobe
!!Alpha Helix 1!!!
;
2 1 5 20 parsed_6c0a 3
2 "!BetaSheet!! What should the distance for beta sheets be????" 24 1 24 63 parsed_6c0a 3
3 "!Alpha Helix 2!!!" 28 1 28 19 parsed_6c0a 3
4 "!Alpha Helix 3!!!" 36 1 36 19 parsed_6c0a 3
5 "!Alpha Helix 4!!" 46 1 46 18 parsed_6c0a 3
6 "!!IQ Helix (NMR Based Result via CSI)" 55 1 55 40 parsed_6c0a 3
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 4: aEFclobe_IQ_Hbonds" 1 1 1 39 parsed_6c0a 3
stop_
save_
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