Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
30605 | 1d0w RC | 5214 | cing | 2-parsed | STAR | entry | full | 132 |
data_1d0w_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1d0w
_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_1d0w 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1d0w
_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 1d0w "Master copy" parsed_1d0w
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1d0w
_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 1d0w.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1d0w 1
1 1d0w.mr . . XPLOR/CNS 2 distance NOE simple 124 parsed_1d0w 1
1 1d0w.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1d0w 1
1 1d0w.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 8 parsed_1d0w 1
1 1d0w.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1d0w 1
1 1d0w.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1d0w 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_1d0w
_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 NEUROPEPTIDE 14-SEP-99 1D0W
*TITLE SOLUTION STRUCTURE OF LACTAM-BRIDGED C-TERMINAL ANALOGUE-I
*TITLE 2 OF NEUROPEPTIDE Y
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: C-TERMINAL ANALOGUE OF NEUROPEPTIDE Y, A POTENT
*COMPND 3 Y2 RECEPTOR AGONIST;
*COMPND 4 CHAIN: A;
*COMPND 5 FRAGMENT: C-TERMINAL ANALOGUE;
*COMPND 6 ENGINEERED: YES;
*COMPND 7 MUTATION: YES;
*COMPND 8 OTHER_DETAILS: SYNTHETIC WITH MUTATION: L24A, I28K, I31L,
*COMPND 9 T32E, A LACTAM-BRIDGE WAS INTRODUCED BETWEEN POSITIONS (28)
*COMPND 10 AND (32)
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 OTHER_DETAILS: CHEMICALLY SYNTHESIZED.
*KEYWDS LACTAM-BRIDGED, HELIX
*EXPDTA NMR, 20 STRUCTURES
*AUTHOR S.YAO, R.S.NORTON
*REVDAT 1 17-JUN-00 1D0W 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1d0w
_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_1d0w 1
2 1 . . . parsed_1d0w 1
3 1 . . . parsed_1d0w 1
4 1 . . . parsed_1d0w 1
5 1 . . . parsed_1d0w 1
6 1 . . . parsed_1d0w 1
7 1 . . . parsed_1d0w 1
8 1 . . . parsed_1d0w 1
9 1 . . . parsed_1d0w 1
10 1 . . . parsed_1d0w 1
11 1 . . . parsed_1d0w 1
12 1 . . . parsed_1d0w 1
13 1 . . . parsed_1d0w 1
14 1 . . . parsed_1d0w 1
15 1 . . . parsed_1d0w 1
16 1 . . . parsed_1d0w 1
17 1 . . . parsed_1d0w 1
18 1 . . . parsed_1d0w 1
19 1 . . . parsed_1d0w 1
20 1 . . . parsed_1d0w 1
21 1 . . . parsed_1d0w 1
22 1 . . . parsed_1d0w 1
23 1 . . . parsed_1d0w 1
24 1 . . . parsed_1d0w 1
25 1 . . . parsed_1d0w 1
26 1 . . . parsed_1d0w 1
27 1 . . . parsed_1d0w 1
28 1 . . . parsed_1d0w 1
29 1 . . . parsed_1d0w 1
30 1 . . . parsed_1d0w 1
31 1 . . . parsed_1d0w 1
32 1 . . . parsed_1d0w 1
33 1 . . . parsed_1d0w 1
34 1 . . . parsed_1d0w 1
35 1 . . . parsed_1d0w 1
36 1 . . . parsed_1d0w 1
37 1 . . . parsed_1d0w 1
38 1 . . . parsed_1d0w 1
39 1 . . . parsed_1d0w 1
40 1 . . . parsed_1d0w 1
41 1 . . . parsed_1d0w 1
42 1 . . . parsed_1d0w 1
43 1 . . . parsed_1d0w 1
44 1 . . . parsed_1d0w 1
45 1 . . . parsed_1d0w 1
46 1 . . . parsed_1d0w 1
47 1 . . . parsed_1d0w 1
48 1 . . . parsed_1d0w 1
49 1 . . . parsed_1d0w 1
50 1 . . . parsed_1d0w 1
51 1 . . . parsed_1d0w 1
52 1 . . . parsed_1d0w 1
53 1 . . . parsed_1d0w 1
54 1 . . . parsed_1d0w 1
55 1 . . . parsed_1d0w 1
56 1 . . . parsed_1d0w 1
57 1 . . . parsed_1d0w 1
58 1 . . . parsed_1d0w 1
59 1 . . . parsed_1d0w 1
60 1 . . . parsed_1d0w 1
61 1 . . . parsed_1d0w 1
62 1 . . . parsed_1d0w 1
63 1 . . . parsed_1d0w 1
64 1 . . . parsed_1d0w 1
65 1 . . . parsed_1d0w 1
66 1 . . . parsed_1d0w 1
67 1 . . . parsed_1d0w 1
68 1 . . . parsed_1d0w 1
69 1 . . . parsed_1d0w 1
70 1 . . . parsed_1d0w 1
71 1 . . . parsed_1d0w 1
72 1 . . . parsed_1d0w 1
73 1 . . . parsed_1d0w 1
74 1 . . . parsed_1d0w 1
75 1 . . . parsed_1d0w 1
76 1 . . . parsed_1d0w 1
77 1 . . . parsed_1d0w 1
78 1 . . . parsed_1d0w 1
79 1 . . . parsed_1d0w 1
80 1 . . . parsed_1d0w 1
81 1 . . . parsed_1d0w 1
82 1 . . . parsed_1d0w 1
83 1 . . . parsed_1d0w 1
84 1 . . . parsed_1d0w 1
85 1 . . . parsed_1d0w 1
86 1 . . . parsed_1d0w 1
87 1 . . . parsed_1d0w 1
88 1 . . . parsed_1d0w 1
89 1 . . . parsed_1d0w 1
90 1 . . . parsed_1d0w 1
91 1 . . . parsed_1d0w 1
92 1 . . . parsed_1d0w 1
93 1 . . . parsed_1d0w 1
94 1 . . . parsed_1d0w 1
95 1 . . . parsed_1d0w 1
96 1 . . . parsed_1d0w 1
97 1 . . . parsed_1d0w 1
98 1 . . . parsed_1d0w 1
99 1 . . . parsed_1d0w 1
100 1 . . . parsed_1d0w 1
101 1 . . . parsed_1d0w 1
102 1 . . . parsed_1d0w 1
103 1 . . . parsed_1d0w 1
104 1 . . . parsed_1d0w 1
105 1 . . . parsed_1d0w 1
106 1 . . . parsed_1d0w 1
107 1 . . . parsed_1d0w 1
108 1 . . . parsed_1d0w 1
109 1 . . . parsed_1d0w 1
110 1 . . . parsed_1d0w 1
111 1 . . . parsed_1d0w 1
112 1 . . . parsed_1d0w 1
113 1 . . . parsed_1d0w 1
114 1 . . . parsed_1d0w 1
115 1 . . . parsed_1d0w 1
116 1 . . . parsed_1d0w 1
117 1 . . . parsed_1d0w 1
118 1 . . . parsed_1d0w 1
119 1 . . . parsed_1d0w 1
120 1 . . . parsed_1d0w 1
121 1 . . . parsed_1d0w 1
122 1 . . . parsed_1d0w 1
123 1 . . . parsed_1d0w 1
124 1 . . . parsed_1d0w 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 . . . . . . . . . 24A . HA# parsed_1d0w 1
1 1 2 . . . . . . . . . 24 . HN parsed_1d0w 1
2 1 1 . . . . . . . . . 24A . HA# parsed_1d0w 1
2 1 2 . . . . . . . . . 25 . HN parsed_1d0w 1
3 1 1 . . . . . . . . . 24 . HA parsed_1d0w 1
3 1 2 . . . . . . . . . 25 . HN parsed_1d0w 1
4 1 1 . . . . . . . . . 24 . HA parsed_1d0w 1
4 1 2 . . . . . . . . . 27 . HB2 parsed_1d0w 1
5 1 1 . . . . . . . . . 24 . HA parsed_1d0w 1
5 1 2 . . . . . . . . . 27 . HB1 parsed_1d0w 1
6 1 1 . . . . . . . . . 24 . HA parsed_1d0w 1
6 1 2 . . . . . . . . . 27 . HB# parsed_1d0w 1
7 1 1 . . . . . . . . . 25 . HN parsed_1d0w 1
7 1 2 . . . . . . . . . 25 . HG# parsed_1d0w 1
8 1 1 . . . . . . . . . 25 . HA parsed_1d0w 1
8 1 2 . . . . . . . . . 25 . HD# parsed_1d0w 1
9 1 1 . . . . . . . . . 25 . HA parsed_1d0w 1
9 1 2 . . . . . . . . . 25 . HN parsed_1d0w 1
10 1 1 . . . . . . . . . 26 . HA parsed_1d0w 1
10 1 2 . . . . . . . . . 27 . HN parsed_1d0w 1
11 1 1 . . . . . . . . . 26 . HA parsed_1d0w 1
11 1 2 . . . . . . . . . 29 . HN parsed_1d0w 1
12 1 1 . . . . . . . . . 26 . HA parsed_1d0w 1
12 1 2 . . . . . . . . . 29 . HB# parsed_1d0w 1
13 1 1 . . . . . . . . . 27 . HN parsed_1d0w 1
13 1 2 . . . . . . . . . 27 . HB2 parsed_1d0w 1
14 1 1 . . . . . . . . . 27 . HN parsed_1d0w 1
14 1 2 . . . . . . . . . 27 . HB1 parsed_1d0w 1
15 1 1 . . . . . . . . . 27 . HN parsed_1d0w 1
15 1 2 . . . . . . . . . 28 . HN parsed_1d0w 1
16 1 1 . . . . . . . . . 27 . HA parsed_1d0w 1
16 1 2 . . . . . . . . . 28 . HN parsed_1d0w 1
17 1 1 . . . . . . . . . 27 . HA parsed_1d0w 1
17 1 2 . . . . . . . . . 30 . HB# parsed_1d0w 1
18 1 1 . . . . . . . . . 27 . HA parsed_1d0w 1
18 1 2 . . . . . . . . . 30 . HG parsed_1d0w 1
19 1 1 . . . . . . . . . 27 . HB2 parsed_1d0w 1
19 1 2 . . . . . . . . . 28 . HN parsed_1d0w 1
20 1 1 . . . . . . . . . 27 . HB1 parsed_1d0w 1
20 1 2 . . . . . . . . . 28 . HN parsed_1d0w 1
21 1 1 . . . . . . . . . 27 . HB# parsed_1d0w 1
21 1 2 . . . . . . . . . 28 . HN parsed_1d0w 1
22 1 1 . . . . . . . . . 27 . HB# parsed_1d0w 1
22 1 2 . . . . . . . . . 29 . HN parsed_1d0w 1
23 1 1 . . . . . . . . . 27 . HD# parsed_1d0w 1
23 1 2 . . . . . . . . . 28 . HN parsed_1d0w 1
24 1 1 . . . . . . . . . 28 . HN parsed_1d0w 1
24 1 2 . . . . . . . . . 28 . HB2 parsed_1d0w 1
25 1 1 . . . . . . . . . 28 . HN parsed_1d0w 1
25 1 2 . . . . . . . . . 28 . HB1 parsed_1d0w 1
26 1 1 . . . . . . . . . 28 . HN parsed_1d0w 1
26 1 2 . . . . . . . . . 28 . HB# parsed_1d0w 1
27 1 1 . . . . . . . . . 28 . HN parsed_1d0w 1
27 1 2 . . . . . . . . . 28 . HG2 parsed_1d0w 1
28 1 1 . . . . . . . . . 28 . HN parsed_1d0w 1
28 1 2 . . . . . . . . . 28 . HG1 parsed_1d0w 1
29 1 1 . . . . . . . . . 28 . HN parsed_1d0w 1
29 1 2 . . . . . . . . . 28 . HG# parsed_1d0w 1
30 1 1 . . . . . . . . . 28 . HN parsed_1d0w 1
30 1 2 . . . . . . . . . 29 . HN parsed_1d0w 1
31 1 1 . . . . . . . . . 28 . HA parsed_1d0w 1
31 1 2 . . . . . . . . . 28 . HD# parsed_1d0w 1
32 1 1 . . . . . . . . . 28 . HA parsed_1d0w 1
32 1 2 . . . . . . . . . 29 . HN parsed_1d0w 1
33 1 1 . . . . . . . . . 28 . HA parsed_1d0w 1
33 1 2 . . . . . . . . . 31 . HN parsed_1d0w 1
34 1 1 . . . . . . . . . 28 . HB2 parsed_1d0w 1
34 1 2 . . . . . . . . . 28 . HE2 parsed_1d0w 1
35 1 1 . . . . . . . . . 28 . HB2 parsed_1d0w 1
35 1 2 . . . . . . . . . 28 . HE1 parsed_1d0w 1
36 1 1 . . . . . . . . . 28 . HB2 parsed_1d0w 1
36 1 2 . . . . . . . . . 29 . HN parsed_1d0w 1
37 1 1 . . . . . . . . . 28 . HB1 parsed_1d0w 1
37 1 2 . . . . . . . . . 28 . HE2 parsed_1d0w 1
38 1 1 . . . . . . . . . 28 . HB1 parsed_1d0w 1
38 1 2 . . . . . . . . . 28 . HE1 parsed_1d0w 1
39 1 1 . . . . . . . . . 28 . HB1 parsed_1d0w 1
39 1 2 . . . . . . . . . 29 . HN parsed_1d0w 1
40 1 1 . . . . . . . . . 28 . HB# parsed_1d0w 1
40 1 2 . . . . . . . . . 28 . HE# parsed_1d0w 1
41 1 1 . . . . . . . . . 28 . HB# parsed_1d0w 1
41 1 2 . . . . . . . . . 29 . HN parsed_1d0w 1
42 1 1 . . . . . . . . . 28 . HG2 parsed_1d0w 1
42 1 2 . . . . . . . . . 28 . HE2 parsed_1d0w 1
43 1 1 . . . . . . . . . 28 . HG2 parsed_1d0w 1
43 1 2 . . . . . . . . . 28 . HE1 parsed_1d0w 1
44 1 1 . . . . . . . . . 28 . HG2 parsed_1d0w 1
44 1 2 . . . . . . . . . 29 . HN parsed_1d0w 1
45 1 1 . . . . . . . . . 28 . HG1 parsed_1d0w 1
45 1 2 . . . . . . . . . 28 . HE2 parsed_1d0w 1
46 1 1 . . . . . . . . . 28 . HG1 parsed_1d0w 1
46 1 2 . . . . . . . . . 28 . HE1 parsed_1d0w 1
47 1 1 . . . . . . . . . 28 . HG1 parsed_1d0w 1
47 1 2 . . . . . . . . . 29 . HN parsed_1d0w 1
48 1 1 . . . . . . . . . 28 . HG# parsed_1d0w 1
48 1 2 . . . . . . . . . 28 . HZ1 parsed_1d0w 1
49 1 1 . . . . . . . . . 28 . HG# parsed_1d0w 1
49 1 2 . . . . . . . . . 29 . HN parsed_1d0w 1
50 1 1 . . . . . . . . . 28 . HG# parsed_1d0w 1
50 1 2 . . . . . . . . . 29 . HA parsed_1d0w 1
51 1 1 . . . . . . . . . 28 . HD# parsed_1d0w 1
51 1 2 . . . . . . . . . 29 . HN parsed_1d0w 1
52 1 1 . . . . . . . . . 28 . NZ parsed_1d0w 1
52 1 2 . . . . . . . . . 32 . CD parsed_1d0w 1
53 1 1 . . . . . . . . . 28 . HZ1 parsed_1d0w 1
53 1 2 . . . . . . . . . 32 . HN parsed_1d0w 1
54 1 1 . . . . . . . . . 28 . HZ1 parsed_1d0w 1
54 1 2 . . . . . . . . . 32 . HB# parsed_1d0w 1
55 1 1 . . . . . . . . . 28 . HZ1 parsed_1d0w 1
55 1 2 . . . . . . . . . 32 . HG2 parsed_1d0w 1
56 1 1 . . . . . . . . . 28 . HZ1 parsed_1d0w 1
56 1 2 . . . . . . . . . 32 . HG1 parsed_1d0w 1
57 1 1 . . . . . . . . . 29 . HN parsed_1d0w 1
57 1 2 . . . . . . . . . 32 . HB# parsed_1d0w 1
58 1 1 . . . . . . . . . 29 . HA parsed_1d0w 1
58 1 2 . . . . . . . . . 29 . HD21 parsed_1d0w 1
59 1 1 . . . . . . . . . 29 . HA parsed_1d0w 1
59 1 2 . . . . . . . . . 29 . HD22 parsed_1d0w 1
60 1 1 . . . . . . . . . 29 . HA parsed_1d0w 1
60 1 2 . . . . . . . . . 30 . HN parsed_1d0w 1
61 1 1 . . . . . . . . . 29 . HA parsed_1d0w 1
61 1 2 . . . . . . . . . 32 . HN parsed_1d0w 1
62 1 1 . . . . . . . . . 29 . HA parsed_1d0w 1
62 1 2 . . . . . . . . . 32 . HB# parsed_1d0w 1
63 1 1 . . . . . . . . . 30 . HN parsed_1d0w 1
63 1 2 . . . . . . . . . 30 . HG parsed_1d0w 1
64 1 1 . . . . . . . . . 30 . HN parsed_1d0w 1
64 1 2 . . . . . . . . . 30 . HD1# parsed_1d0w 1
65 1 1 . . . . . . . . . 30 . HN parsed_1d0w 1
65 1 2 . . . . . . . . . 30 . HD2# parsed_1d0w 1
66 1 1 . . . . . . . . . 30 . HN parsed_1d0w 1
66 1 2 . . . . . . . . . 30 . HD# parsed_1d0w 1
67 1 1 . . . . . . . . . 30 . HA parsed_1d0w 1
67 1 2 . . . . . . . . . 30 . HG parsed_1d0w 1
68 1 1 . . . . . . . . . 30 . HA parsed_1d0w 1
68 1 2 . . . . . . . . . 33 . HN parsed_1d0w 1
69 1 1 . . . . . . . . . 30 . HA parsed_1d0w 1
69 1 2 . . . . . . . . . 33 . HB2 parsed_1d0w 1
70 1 1 . . . . . . . . . 30 . HA parsed_1d0w 1
70 1 2 . . . . . . . . . 33 . HB1 parsed_1d0w 1
71 1 1 . . . . . . . . . 30 . HG parsed_1d0w 1
71 1 2 . . . . . . . . . 32 . HN parsed_1d0w 1
72 1 1 . . . . . . . . . 30 . HD1# parsed_1d0w 1
72 1 2 . . . . . . . . . 33 . HG# parsed_1d0w 1
73 1 1 . . . . . . . . . 30 . HD2# parsed_1d0w 1
73 1 2 . . . . . . . . . 33 . HG# parsed_1d0w 1
74 1 1 . . . . . . . . . 30 . HD# parsed_1d0w 1
74 1 2 . . . . . . . . . 31 . HG parsed_1d0w 1
75 1 1 . . . . . . . . . 30 . HD# parsed_1d0w 1
75 1 2 . . . . . . . . . 33 . HG# parsed_1d0w 1
76 1 1 . . . . . . . . . 31 . HN parsed_1d0w 1
76 1 2 . . . . . . . . . 31 . HG parsed_1d0w 1
77 1 1 . . . . . . . . . 31 . HN parsed_1d0w 1
77 1 2 . . . . . . . . . 31 . HD1# parsed_1d0w 1
78 1 1 . . . . . . . . . 31 . HN parsed_1d0w 1
78 1 2 . . . . . . . . . 31 . HD2# parsed_1d0w 1
79 1 1 . . . . . . . . . 31 . HN parsed_1d0w 1
79 1 2 . . . . . . . . . 31 . HD# parsed_1d0w 1
80 1 1 . . . . . . . . . 31 . HN parsed_1d0w 1
80 1 2 . . . . . . . . . 32 . HN parsed_1d0w 1
81 1 1 . . . . . . . . . 31 . HN parsed_1d0w 1
81 1 2 . . . . . . . . . 32 . HB# parsed_1d0w 1
82 1 1 . . . . . . . . . 31 . HA parsed_1d0w 1
82 1 2 . . . . . . . . . 31 . HG parsed_1d0w 1
83 1 1 . . . . . . . . . 31 . HA parsed_1d0w 1
83 1 2 . . . . . . . . . 32 . HN parsed_1d0w 1
84 1 1 . . . . . . . . . 31 . HB# parsed_1d0w 1
84 1 2 . . . . . . . . . 32 . HN parsed_1d0w 1
85 1 1 . . . . . . . . . 31 . HG parsed_1d0w 1
85 1 2 . . . . . . . . . 32 . HN parsed_1d0w 1
86 1 1 . . . . . . . . . 32 . HN parsed_1d0w 1
86 1 2 . . . . . . . . . 32 . HG2 parsed_1d0w 1
87 1 1 . . . . . . . . . 32 . HN parsed_1d0w 1
87 1 2 . . . . . . . . . 32 . HG1 parsed_1d0w 1
88 1 1 . . . . . . . . . 32 . HN parsed_1d0w 1
88 1 2 . . . . . . . . . 32 . HG# parsed_1d0w 1
89 1 1 . . . . . . . . . 32 . HA parsed_1d0w 1
89 1 2 . . . . . . . . . 32 . HG2 parsed_1d0w 1
90 1 1 . . . . . . . . . 32 . HA parsed_1d0w 1
90 1 2 . . . . . . . . . 32 . HG1 parsed_1d0w 1
91 1 1 . . . . . . . . . 32 . HA parsed_1d0w 1
91 1 2 . . . . . . . . . 33 . HN parsed_1d0w 1
92 1 1 . . . . . . . . . 32 . HA parsed_1d0w 1
92 1 2 . . . . . . . . . 35 . HN parsed_1d0w 1
93 1 1 . . . . . . . . . 32 . HG2 parsed_1d0w 1
93 1 2 . . . . . . . . . 33 . HN parsed_1d0w 1
94 1 1 . . . . . . . . . 32 . HG1 parsed_1d0w 1
94 1 2 . . . . . . . . . 33 . HN parsed_1d0w 1
95 1 1 . . . . . . . . . 32 . HG# parsed_1d0w 1
95 1 2 . . . . . . . . . 33 . HN parsed_1d0w 1
96 1 1 . . . . . . . . . 33 . HN parsed_1d0w 1
96 1 2 . . . . . . . . . 33 . HB2 parsed_1d0w 1
97 1 1 . . . . . . . . . 33 . HN parsed_1d0w 1
97 1 2 . . . . . . . . . 33 . HB1 parsed_1d0w 1
98 1 1 . . . . . . . . . 33 . HN parsed_1d0w 1
98 1 2 . . . . . . . . . 33 . HB# parsed_1d0w 1
99 1 1 . . . . . . . . . 33 . HN parsed_1d0w 1
99 1 2 . . . . . . . . . 33 . HG# parsed_1d0w 1
100 1 1 . . . . . . . . . 33 . HN parsed_1d0w 1
100 1 2 . . . . . . . . . 34 . HN parsed_1d0w 1
101 1 1 . . . . . . . . . 33 . HA parsed_1d0w 1
101 1 2 . . . . . . . . . 33 . HD# parsed_1d0w 1
102 1 1 . . . . . . . . . 33 . HA parsed_1d0w 1
102 1 2 . . . . . . . . . 34 . HN parsed_1d0w 1
103 1 1 . . . . . . . . . 33 . HA parsed_1d0w 1
103 1 2 . . . . . . . . . 36 . HN parsed_1d0w 1
104 1 1 . . . . . . . . . 33 . HB2 parsed_1d0w 1
104 1 2 . . . . . . . . . 34 . HN parsed_1d0w 1
105 1 1 . . . . . . . . . 33 . HB1 parsed_1d0w 1
105 1 2 . . . . . . . . . 34 . HN parsed_1d0w 1
106 1 1 . . . . . . . . . 33 . HB# parsed_1d0w 1
106 1 2 . . . . . . . . . 34 . HN parsed_1d0w 1
107 1 1 . . . . . . . . . 33 . HG# parsed_1d0w 1
107 1 2 . . . . . . . . . 34 . HN parsed_1d0w 1
108 1 1 . . . . . . . . . 34 . HN parsed_1d0w 1
108 1 2 . . . . . . . . . 34 . HG2 parsed_1d0w 1
109 1 1 . . . . . . . . . 34 . HN parsed_1d0w 1
109 1 2 . . . . . . . . . 34 . HG1 parsed_1d0w 1
110 1 1 . . . . . . . . . 34 . HN parsed_1d0w 1
110 1 2 . . . . . . . . . 34 . HG# parsed_1d0w 1
111 1 1 . . . . . . . . . 34 . HN parsed_1d0w 1
111 1 2 . . . . . . . . . 35 . HN parsed_1d0w 1
112 1 1 . . . . . . . . . 35 . HN parsed_1d0w 1
112 1 2 . . . . . . . . . 35 . HA parsed_1d0w 1
113 1 1 . . . . . . . . . 35 . HN parsed_1d0w 1
113 1 2 . . . . . . . . . 35 . HB2 parsed_1d0w 1
114 1 1 . . . . . . . . . 35 . HN parsed_1d0w 1
114 1 2 . . . . . . . . . 35 . HB1 parsed_1d0w 1
115 1 1 . . . . . . . . . 35 . HN parsed_1d0w 1
115 1 2 . . . . . . . . . 35 . HB# parsed_1d0w 1
116 1 1 . . . . . . . . . 35 . HN parsed_1d0w 1
116 1 2 . . . . . . . . . 35 . HG2 parsed_1d0w 1
117 1 1 . . . . . . . . . 35 . HN parsed_1d0w 1
117 1 2 . . . . . . . . . 35 . HG1 parsed_1d0w 1
118 1 1 . . . . . . . . . 35 . HN parsed_1d0w 1
118 1 2 . . . . . . . . . 35 . HG# parsed_1d0w 1
119 1 1 . . . . . . . . . 35 . HN parsed_1d0w 1
119 1 2 . . . . . . . . . 36 . HN parsed_1d0w 1
120 1 1 . . . . . . . . . 35 . HA parsed_1d0w 1
120 1 2 . . . . . . . . . 35 . HD# parsed_1d0w 1
121 1 1 . . . . . . . . . 35 . HA parsed_1d0w 1
121 1 2 . . . . . . . . . 36 . HN parsed_1d0w 1
122 1 1 . . . . . . . . . 36 . HN parsed_1d0w 1
122 1 2 . . . . . . . . . 36 . HB# parsed_1d0w 1
123 1 1 . . . . . . . . . 36 . HN parsed_1d0w 1
123 1 2 . . . . . . . . . 36 . H1 parsed_1d0w 1
124 1 1 . . . . . . . . . 36 . HN parsed_1d0w 1
124 1 2 . . . . . . . . . 36 . H2 parsed_1d0w 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 . . . . . 0.00 0.00 4.80 parsed_1d0w 1
2 1 . . . . . 0.00 0.00 5.90 parsed_1d0w 1
3 1 . . . . . 0.00 0.00 3.40 parsed_1d0w 1
4 1 . . . . . 0.00 0.00 4.60 parsed_1d0w 1
5 1 . . . . . 0.00 0.00 4.60 parsed_1d0w 1
6 1 . . . . . 0.00 0.00 4.62 parsed_1d0w 1
7 1 . . . . . 0.00 0.00 7.70 parsed_1d0w 1
8 1 . . . . . 0.00 0.00 8.30 parsed_1d0w 1
9 1 . . . . . 0.00 0.00 3.60 parsed_1d0w 1
10 1 . . . . . 0.00 0.00 3.30 parsed_1d0w 1
11 1 . . . . . 0.00 0.00 4.70 parsed_1d0w 1
12 1 . . . . . 0.00 0.00 5.50 parsed_1d0w 1
13 1 . . . . . 0.00 0.00 3.70 parsed_1d0w 1
14 1 . . . . . 0.00 0.00 3.70 parsed_1d0w 1
15 1 . . . . . 0.00 0.00 3.70 parsed_1d0w 1
16 1 . . . . . 0.00 0.00 3.50 parsed_1d0w 1
17 1 . . . . . 0.00 0.00 5.50 parsed_1d0w 1
18 1 . . . . . 0.00 0.00 5.30 parsed_1d0w 1
19 1 . . . . . 0.00 0.00 4.10 parsed_1d0w 1
20 1 . . . . . 0.00 0.00 4.10 parsed_1d0w 1
21 1 . . . . . 0.00 0.00 3.90 parsed_1d0w 1
22 1 . . . . . 0.00 0.00 5.38 parsed_1d0w 1
23 1 . . . . . 0.00 0.00 8.60 parsed_1d0w 1
24 1 . . . . . 0.00 0.00 3.60 parsed_1d0w 1
25 1 . . . . . 0.00 0.00 3.60 parsed_1d0w 1
26 1 . . . . . 0.00 0.00 3.39 parsed_1d0w 1
27 1 . . . . . 0.00 0.00 4.70 parsed_1d0w 1
28 1 . . . . . 0.00 0.00 4.70 parsed_1d0w 1
29 1 . . . . . 0.00 0.00 4.52 parsed_1d0w 1
30 1 . . . . . 0.00 0.00 3.40 parsed_1d0w 1
31 1 . . . . . 0.00 0.00 6.20 parsed_1d0w 1
32 1 . . . . . 0.00 0.00 3.50 parsed_1d0w 1
33 1 . . . . . 0.00 0.00 4.30 parsed_1d0w 1
34 1 . . . . . 0.00 0.00 6.20 parsed_1d0w 1
35 1 . . . . . 0.00 0.00 6.20 parsed_1d0w 1
36 1 . . . . . 0.00 0.00 4.30 parsed_1d0w 1
37 1 . . . . . 0.00 0.00 6.20 parsed_1d0w 1
38 1 . . . . . 0.00 0.00 6.20 parsed_1d0w 1
39 1 . . . . . 0.00 0.00 4.30 parsed_1d0w 1
40 1 . . . . . 0.00 0.00 5.46 parsed_1d0w 1
41 1 . . . . . 0.00 0.00 3.91 parsed_1d0w 1
42 1 . . . . . 0.00 0.00 4.20 parsed_1d0w 1
43 1 . . . . . 0.00 0.00 4.20 parsed_1d0w 1
44 1 . . . . . 0.00 0.00 5.50 parsed_1d0w 1
45 1 . . . . . 0.00 0.00 4.20 parsed_1d0w 1
46 1 . . . . . 0.00 0.00 4.20 parsed_1d0w 1
47 1 . . . . . 0.00 0.00 5.50 parsed_1d0w 1
48 1 . . . . . 0.00 0.00 5.18 parsed_1d0w 1
49 1 . . . . . 0.00 0.00 5.23 parsed_1d0w 1
50 1 . . . . . 0.00 0.00 6.58 parsed_1d0w 1
51 1 . . . . . 0.00 0.00 9.00 parsed_1d0w 1
52 1 . . . . . 0.00 0.00 1.30 parsed_1d0w 1
53 1 . . . . . 0.00 0.00 6.50 parsed_1d0w 1
54 1 . . . . . 0.00 0.00 6.80 parsed_1d0w 1
55 1 . . . . . 0.00 0.00 4.00 parsed_1d0w 1
56 1 . . . . . 0.00 0.00 4.00 parsed_1d0w 1
57 1 . . . . . 0.00 0.00 5.70 parsed_1d0w 1
58 1 . . . . . 0.00 0.00 6.20 parsed_1d0w 1
59 1 . . . . . 0.00 0.00 6.20 parsed_1d0w 1
60 1 . . . . . 0.00 0.00 3.00 parsed_1d0w 1
61 1 . . . . . 0.00 0.00 3.80 parsed_1d0w 1
62 1 . . . . . 0.00 0.00 5.20 parsed_1d0w 1
63 1 . . . . . 0.00 0.00 3.70 parsed_1d0w 1
64 1 . . . . . 0.00 0.00 9.00 parsed_1d0w 1
65 1 . . . . . 0.00 0.00 9.00 parsed_1d0w 1
66 1 . . . . . 0.00 0.00 8.42 parsed_1d0w 1
67 1 . . . . . 0.00 0.00 3.70 parsed_1d0w 1
68 1 . . . . . 0.00 0.00 4.40 parsed_1d0w 1
69 1 . . . . . 0.00 0.00 4.00 parsed_1d0w 1
70 1 . . . . . 0.00 0.00 4.00 parsed_1d0w 1
71 1 . . . . . 0.00 0.00 4.80 parsed_1d0w 1
72 1 . . . . . 0.00 0.00 6.30 parsed_1d0w 1
73 1 . . . . . 0.00 0.00 6.30 parsed_1d0w 1
74 1 . . . . . 0.00 0.00 5.97 parsed_1d0w 1
75 1 . . . . . 0.00 0.00 5.85 parsed_1d0w 1
76 1 . . . . . 0.00 0.00 4.20 parsed_1d0w 1
77 1 . . . . . 0.00 0.00 8.30 parsed_1d0w 1
78 1 . . . . . 0.00 0.00 8.30 parsed_1d0w 1
79 1 . . . . . 0.00 0.00 7.75 parsed_1d0w 1
80 1 . . . . . 0.00 0.00 3.60 parsed_1d0w 1
81 1 . . . . . 0.00 0.00 6.50 parsed_1d0w 1
82 1 . . . . . 0.00 0.00 3.80 parsed_1d0w 1
83 1 . . . . . 0.00 0.00 3.50 parsed_1d0w 1
84 1 . . . . . 0.00 0.00 5.30 parsed_1d0w 1
85 1 . . . . . 0.00 0.00 4.70 parsed_1d0w 1
86 1 . . . . . 0.00 0.00 4.70 parsed_1d0w 1
87 1 . . . . . 0.00 0.00 4.70 parsed_1d0w 1
88 1 . . . . . 0.00 0.00 4.52 parsed_1d0w 1
89 1 . . . . . 0.00 0.00 4.20 parsed_1d0w 1
90 1 . . . . . 0.00 0.00 4.20 parsed_1d0w 1
91 1 . . . . . 0.00 0.00 3.20 parsed_1d0w 1
92 1 . . . . . 0.00 0.00 4.80 parsed_1d0w 1
93 1 . . . . . 0.00 0.00 6.70 parsed_1d0w 1
94 1 . . . . . 0.00 0.00 6.70 parsed_1d0w 1
95 1 . . . . . 0.00 0.00 6.54 parsed_1d0w 1
96 1 . . . . . 0.00 0.00 3.80 parsed_1d0w 1
97 1 . . . . . 0.00 0.00 3.80 parsed_1d0w 1
98 1 . . . . . 0.00 0.00 3.60 parsed_1d0w 1
99 1 . . . . . 0.00 0.00 6.20 parsed_1d0w 1
100 1 . . . . . 0.00 0.00 3.20 parsed_1d0w 1
101 1 . . . . . 0.00 0.00 7.40 parsed_1d0w 1
102 1 . . . . . 0.00 0.00 3.60 parsed_1d0w 1
103 1 . . . . . 0.00 0.00 4.50 parsed_1d0w 1
104 1 . . . . . 0.00 0.00 4.20 parsed_1d0w 1
105 1 . . . . . 0.00 0.00 4.20 parsed_1d0w 1
106 1 . . . . . 0.00 0.00 4.01 parsed_1d0w 1
107 1 . . . . . 0.00 0.00 7.50 parsed_1d0w 1
108 1 . . . . . 0.00 0.00 5.80 parsed_1d0w 1
109 1 . . . . . 0.00 0.00 5.80 parsed_1d0w 1
110 1 . . . . . 0.00 0.00 5.49 parsed_1d0w 1
111 1 . . . . . 0.00 0.00 3.30 parsed_1d0w 1
112 1 . . . . . 0.00 0.00 2.90 parsed_1d0w 1
113 1 . . . . . 0.00 0.00 3.90 parsed_1d0w 1
114 1 . . . . . 0.00 0.00 3.90 parsed_1d0w 1
115 1 . . . . . 0.00 0.00 3.70 parsed_1d0w 1
116 1 . . . . . 0.00 0.00 6.00 parsed_1d0w 1
117 1 . . . . . 0.00 0.00 6.00 parsed_1d0w 1
118 1 . . . . . 0.00 0.00 5.79 parsed_1d0w 1
119 1 . . . . . 0.00 0.00 3.40 parsed_1d0w 1
120 1 . . . . . 0.00 0.00 7.40 parsed_1d0w 1
121 1 . . . . . 0.00 0.00 3.40 parsed_1d0w 1
122 1 . . . . . 0.00 0.00 3.80 parsed_1d0w 1
123 1 . . . . . 0.00 0.00 5.20 parsed_1d0w 1
124 1 . . . . . 0.00 0.00 5.30 parsed_1d0w 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 "24A ACE" 1 1 1 9 parsed_1d0w 1
2 "24 ALA" 4 1 4 8 parsed_1d0w 1
3 "25 ARG" 9 1 9 8 parsed_1d0w 1
4 "26 HIS" 13 1 13 8 parsed_1d0w 1
5 "27 TYR" 17 1 17 8 parsed_1d0w 1
6 "28 LYS" 29 1 29 8 parsed_1d0w 1
7 "29 ASN" 63 1 63 8 parsed_1d0w 1
8 "30 LEU" 70 1 70 8 parsed_1d0w 1
9 "31 LEU" 84 1 84 8 parsed_1d0w 1
10 "32 GLU" 95 1 95 8 parsed_1d0w 1
11 "33 ARG" 106 1 106 8 parsed_1d0w 1
12 "34 GLN" 119 1 119 8 parsed_1d0w 1
13 "35 ARG" 124 1 124 8 parsed_1d0w 1
14 "36 TYR" 135 1 135 8 parsed_1d0w 1
stop_
save_
save_MR_file_comment_3
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1d0w
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 3
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
restraints dihedral
reset
;
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1d0w
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 24A . c . 24 . n . 24 . ca . 24 . c parsed_1d0w 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_1d0w 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_1d0w 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_1d0w 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_1d0w 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 31 . c . 32 . n . 32 . ca . 32 . c parsed_1d0w 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_1d0w 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_1d0w 1
stop_
save_
save_MR_file_comment_5
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1d0w
_Org_constr_file_comment.ID 3
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 5
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
end
;
save_