NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
35645 |
1m2c   |
cing | 2-parsed | STAR | entry | full | 168 |
data_1m2c_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1m2c
_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_1m2c 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1m2c
_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 1m2c "Master copy" parsed_1m2c
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1m2c
_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 1m2c.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1m2c 1
1 1m2c.mr . . DISCOVER 2 stereochemistry chirality "Not applicable" 0 parsed_1m2c 1
1 1m2c.mr . . DISCOVER 3 distance NOE simple 154 parsed_1m2c 1
1 1m2c.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1m2c 1
1 1m2c.mr . . DISCOVER 5 "dihedral angle" "Not applicable" "Not applicable" 14 parsed_1m2c 1
1 1m2c.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1m2c 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_1m2c
_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 NEUROTOXIN 15-SEP-97 1M2C
*TITLE THREE-DIMENSIONAL STRUCTURE OF ALPHA-CONOTOXIN MII, NMR,
*TITLE 2 14 STRUCTURES
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: ALPHA-CONOTOXIN MII;
*COMPND 3 CHAIN: NULL;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: CONUS MAGUS;
*SOURCE 4 ORGANISM_COMMON: MAGUS CONE
*KEYWDS NEUROTOXIN, NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR
*KEYWDS 2 INHIBITOR, SUBTYPE SPECIFIC LIGAND, PRESYNAPTIC NICOTINIC
*KEYWDS 3 ACETYLCHOLINE RECEPTOR BLOCKER, CHOLINERGIC MODULATION,
*KEYWDS 4 DOPAMINE RELEASE
*EXPDTA NMR, 14 STRUCTURES
*AUTHOR K.J.SHON,S.C.KOERBER,J.E.RIVIER,B.M.OLIVERA,J.M.MCINTOSH
*REVDAT 1 12-OCT-04 1M2C 0
;
save_
save_Discover_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1m2c
_Distance_constraint_list.ID 1
_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_1m2c 1
2 1 . . . parsed_1m2c 1
3 1 . . . parsed_1m2c 1
4 1 . . . parsed_1m2c 1
5 1 . . . parsed_1m2c 1
6 1 . . . parsed_1m2c 1
7 1 . . . parsed_1m2c 1
8 1 . . . parsed_1m2c 1
9 1 . . . parsed_1m2c 1
10 1 . . . parsed_1m2c 1
11 1 . . . parsed_1m2c 1
12 1 . . . parsed_1m2c 1
13 1 . . . parsed_1m2c 1
14 1 . . . parsed_1m2c 1
15 1 . . . parsed_1m2c 1
16 1 . . . parsed_1m2c 1
17 1 . . . parsed_1m2c 1
18 1 . . . parsed_1m2c 1
19 1 . . . parsed_1m2c 1
20 1 . . . parsed_1m2c 1
21 1 . . . parsed_1m2c 1
22 1 . . . parsed_1m2c 1
23 1 . . . parsed_1m2c 1
24 1 . . . parsed_1m2c 1
25 1 . . . parsed_1m2c 1
26 1 . . . parsed_1m2c 1
27 1 . . . parsed_1m2c 1
28 1 . . . parsed_1m2c 1
29 1 . . . parsed_1m2c 1
30 1 . . . parsed_1m2c 1
31 1 . . . parsed_1m2c 1
32 1 . . . parsed_1m2c 1
33 1 . . . parsed_1m2c 1
34 1 . . . parsed_1m2c 1
35 1 . . . parsed_1m2c 1
36 1 . . . parsed_1m2c 1
37 1 . . . parsed_1m2c 1
38 1 . . . parsed_1m2c 1
39 1 . . . parsed_1m2c 1
40 1 . . . parsed_1m2c 1
41 1 . . . parsed_1m2c 1
42 1 . . . parsed_1m2c 1
43 1 . . . parsed_1m2c 1
44 1 . . . parsed_1m2c 1
45 1 . . . parsed_1m2c 1
46 1 . . . parsed_1m2c 1
47 1 . . . parsed_1m2c 1
48 1 . . . parsed_1m2c 1
49 1 . . . parsed_1m2c 1
50 1 . . . parsed_1m2c 1
51 1 . . . parsed_1m2c 1
52 1 . . . parsed_1m2c 1
53 1 . . . parsed_1m2c 1
54 1 . . . parsed_1m2c 1
55 1 . . . parsed_1m2c 1
56 1 . . . parsed_1m2c 1
57 1 . . . parsed_1m2c 1
58 1 . . . parsed_1m2c 1
59 1 . . . parsed_1m2c 1
60 1 . . . parsed_1m2c 1
61 1 . . . parsed_1m2c 1
62 1 . . . parsed_1m2c 1
63 1 . . . parsed_1m2c 1
64 1 . . . parsed_1m2c 1
65 1 . . . parsed_1m2c 1
66 1 . . . parsed_1m2c 1
67 1 . . . parsed_1m2c 1
68 1 . . . parsed_1m2c 1
69 1 . . . parsed_1m2c 1
70 1 . . . parsed_1m2c 1
71 1 . . . parsed_1m2c 1
72 1 . . . parsed_1m2c 1
73 1 . . . parsed_1m2c 1
74 1 . . . parsed_1m2c 1
75 1 . . . parsed_1m2c 1
76 1 . . . parsed_1m2c 1
77 1 . . . parsed_1m2c 1
78 1 . . . parsed_1m2c 1
79 1 . . . parsed_1m2c 1
80 1 . . . parsed_1m2c 1
81 1 . . . parsed_1m2c 1
82 1 . . . parsed_1m2c 1
83 1 . . . parsed_1m2c 1
84 1 . . . parsed_1m2c 1
85 1 . . . parsed_1m2c 1
86 1 . . . parsed_1m2c 1
87 1 . . . parsed_1m2c 1
88 1 . . . parsed_1m2c 1
89 1 . . . parsed_1m2c 1
90 1 . . . parsed_1m2c 1
91 1 . . . parsed_1m2c 1
92 1 . . . parsed_1m2c 1
93 1 . . . parsed_1m2c 1
94 1 . . . parsed_1m2c 1
95 1 . . . parsed_1m2c 1
96 1 . . . parsed_1m2c 1
97 1 . . . parsed_1m2c 1
98 1 . . . parsed_1m2c 1
99 1 . . . parsed_1m2c 1
100 1 . . . parsed_1m2c 1
101 1 . . . parsed_1m2c 1
102 1 . . . parsed_1m2c 1
103 1 . . . parsed_1m2c 1
104 1 . . . parsed_1m2c 1
105 1 . . . parsed_1m2c 1
106 1 . . . parsed_1m2c 1
107 1 . . . parsed_1m2c 1
108 1 . . . parsed_1m2c 1
109 1 . . . parsed_1m2c 1
110 1 . . . parsed_1m2c 1
111 1 . . . parsed_1m2c 1
112 1 . . . parsed_1m2c 1
113 1 . . . parsed_1m2c 1
114 1 . . . parsed_1m2c 1
115 1 . . . parsed_1m2c 1
116 1 . . . parsed_1m2c 1
117 1 . . . parsed_1m2c 1
118 1 . . . parsed_1m2c 1
119 1 . . . parsed_1m2c 1
120 1 . . . parsed_1m2c 1
121 1 . . . parsed_1m2c 1
122 1 . . . parsed_1m2c 1
123 1 . . . parsed_1m2c 1
124 1 . . . parsed_1m2c 1
125 1 . . . parsed_1m2c 1
126 1 . . . parsed_1m2c 1
127 1 . . . parsed_1m2c 1
128 1 . . . parsed_1m2c 1
129 1 . . . parsed_1m2c 1
130 1 . . . parsed_1m2c 1
131 1 . . . parsed_1m2c 1
132 1 . . . parsed_1m2c 1
133 1 . . . parsed_1m2c 1
134 1 . . . parsed_1m2c 1
135 1 . . . parsed_1m2c 1
136 1 . . . parsed_1m2c 1
137 1 . . . parsed_1m2c 1
138 1 . . . parsed_1m2c 1
139 1 . . . parsed_1m2c 1
140 1 . . . parsed_1m2c 1
141 1 . . . parsed_1m2c 1
142 1 . . . parsed_1m2c 1
143 1 . . . parsed_1m2c 1
144 1 . . . parsed_1m2c 1
145 1 . . . parsed_1m2c 1
146 1 . . . parsed_1m2c 1
147 1 . . . parsed_1m2c 1
148 1 . . . parsed_1m2c 1
149 1 . . . parsed_1m2c 1
150 1 . . . parsed_1m2c 1
151 1 . . . parsed_1m2c 1
152 1 . . . parsed_1m2c 1
153 1 . . . parsed_1m2c 1
154 1 . . . parsed_1m2c 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . 1 2 CYS HN parsed_1m2c 1
1 1 2 . . . . . . . . 1 1 GLYN HA* parsed_1m2c 1
2 1 1 . . . . . . . . 1 3 CYS HN parsed_1m2c 1
2 1 2 . . . . . . . . 1 1 GLYN HA* parsed_1m2c 1
3 1 1 . . . . . . . . 1 14 ASN HN parsed_1m2c 1
3 1 2 . . . . . . . . 1 14 ASN HB* parsed_1m2c 1
4 1 1 . . . . . . . . 1 8 CYS HN parsed_1m2c 1
4 1 2 . . . . . . . . 1 7 VAL HG2* parsed_1m2c 1
5 1 1 . . . . . . . . 1 8 CYS HN parsed_1m2c 1
5 1 2 . . . . . . . . 1 7 VAL HG1* parsed_1m2c 1
6 1 1 . . . . . . . . 1 8 CYS HN parsed_1m2c 1
6 1 2 . . . . . . . . 1 8 CYS HB* parsed_1m2c 1
7 1 1 . . . . . . . . 1 15 LEU HN parsed_1m2c 1
7 1 2 . . . . . . . . 1 14 ASN HB* parsed_1m2c 1
8 1 1 . . . . . . . . 1 15 LEU HN parsed_1m2c 1
8 1 2 . . . . . . . . 1 15 LEU HB* parsed_1m2c 1
9 1 1 . . . . . . . . 1 15 LEU HN parsed_1m2c 1
9 1 2 . . . . . . . . 1 15 LEU HD1* parsed_1m2c 1
10 1 1 . . . . . . . . 1 15 LEU HN parsed_1m2c 1
10 1 2 . . . . . . . . 1 15 LEU HD2* parsed_1m2c 1
11 1 1 . . . . . . . . 1 16 CYS HN parsed_1m2c 1
11 1 2 . . . . . . . . 1 15 LEU HB* parsed_1m2c 1
12 1 1 . . . . . . . . 1 10 LEU HN parsed_1m2c 1
12 1 2 . . . . . . . . 1 10 LEU HB* parsed_1m2c 1
13 1 1 . . . . . . . . 1 7 VAL HN parsed_1m2c 1
13 1 2 . . . . . . . . 1 7 VAL HG2* parsed_1m2c 1
14 1 1 . . . . . . . . 1 7 VAL HN parsed_1m2c 1
14 1 2 . . . . . . . . 1 7 VAL HG1* parsed_1m2c 1
15 1 1 . . . . . . . . 1 14 ASN HD22 parsed_1m2c 1
15 1 2 . . . . . . . . 1 14 ASN HB* parsed_1m2c 1
16 1 1 . . . . . . . . 1 14 ASN HD22 parsed_1m2c 1
16 1 2 . . . . . . . . 1 15 LEU HD2* parsed_1m2c 1
17 1 1 . . . . . . . . 1 9 HIS+ HD2 parsed_1m2c 1
17 1 2 . . . . . . . . 1 10 LEU HD* parsed_1m2c 1
18 1 1 . . . . . . . . 1 7 VAL HA parsed_1m2c 1
18 1 2 . . . . . . . . 1 10 LEU HB* parsed_1m2c 1
19 1 1 . . . . . . . . 1 12 HIS+ HB2 parsed_1m2c 1
19 1 2 . . . . . . . . 1 15 LEU HB* parsed_1m2c 1
20 1 1 . . . . . . . . 1 12 HIS+ HB2 parsed_1m2c 1
20 1 2 . . . . . . . . 1 15 LEU HD1* parsed_1m2c 1
21 1 1 . . . . . . . . 1 9 HIS+ HN parsed_1m2c 1
21 1 2 . . . . . . . . 1 8 CYS HN parsed_1m2c 1
22 1 1 . . . . . . . . 1 9 HIS+ HN parsed_1m2c 1
22 1 2 . . . . . . . . 1 10 LEU HN parsed_1m2c 1
23 1 1 . . . . . . . . 1 2 CYS HN parsed_1m2c 1
23 1 2 . . . . . . . . 1 3 CYS HN parsed_1m2c 1
24 1 1 . . . . . . . . 1 3 CYS HN parsed_1m2c 1
24 1 2 . . . . . . . . 1 5 ASN HN parsed_1m2c 1
25 1 1 . . . . . . . . 1 3 CYS HN parsed_1m2c 1
25 1 2 . . . . . . . . 1 4 SER HN parsed_1m2c 1
26 1 1 . . . . . . . . 1 13 SER HN parsed_1m2c 1
26 1 2 . . . . . . . . 1 14 ASN HN parsed_1m2c 1
27 1 1 . . . . . . . . 1 15 LEU HN parsed_1m2c 1
27 1 2 . . . . . . . . 1 14 ASN HN parsed_1m2c 1
28 1 1 . . . . . . . . 1 16 CYS HN parsed_1m2c 1
28 1 2 . . . . . . . . 1 14 ASN HN parsed_1m2c 1
29 1 1 . . . . . . . . 1 5 ASN HN parsed_1m2c 1
29 1 2 . . . . . . . . 1 4 SER HN parsed_1m2c 1
30 1 1 . . . . . . . . 1 5 ASN HN parsed_1m2c 1
30 1 2 . . . . . . . . 1 5 ASN HD22 parsed_1m2c 1
31 1 1 . . . . . . . . 1 5 ASN HD21 parsed_1m2c 1
31 1 2 . . . . . . . . 1 5 ASN HD22 parsed_1m2c 1
32 1 1 . . . . . . . . 1 13 SER HN parsed_1m2c 1
32 1 2 . . . . . . . . 1 12 HIS+ HN parsed_1m2c 1
33 1 1 . . . . . . . . 1 13 SER HN parsed_1m2c 1
33 1 2 . . . . . . . . 1 15 LEU HN parsed_1m2c 1
34 1 1 . . . . . . . . 1 13 SER HN parsed_1m2c 1
34 1 2 . . . . . . . . 1 11 GLU HN parsed_1m2c 1
35 1 1 . . . . . . . . 1 8 CYS HN parsed_1m2c 1
35 1 2 . . . . . . . . 1 7 VAL HN parsed_1m2c 1
36 1 1 . . . . . . . . 1 12 HIS+ HN parsed_1m2c 1
36 1 2 . . . . . . . . 1 11 GLU HN parsed_1m2c 1
37 1 1 . . . . . . . . 1 12 HIS+ HN parsed_1m2c 1
37 1 2 . . . . . . . . 1 10 LEU HN parsed_1m2c 1
38 1 1 . . . . . . . . 1 15 LEU HN parsed_1m2c 1
38 1 2 . . . . . . . . 1 16 CYS HN parsed_1m2c 1
39 1 1 . . . . . . . . 1 11 GLU HN parsed_1m2c 1
39 1 2 . . . . . . . . 1 10 LEU HN parsed_1m2c 1
40 1 1 . . . . . . . . 1 16 CYS HN parsed_1m2c 1
40 1 2 . . . . . . . . 1 17 NH2 HN2 parsed_1m2c 1
41 1 1 . . . . . . . . 1 14 ASN HD21 parsed_1m2c 1
41 1 2 . . . . . . . . 1 14 ASN HD22 parsed_1m2c 1
42 1 1 . . . . . . . . 1 9 HIS+ HN parsed_1m2c 1
42 1 2 . . . . . . . . 1 9 HIS+ HA parsed_1m2c 1
43 1 1 . . . . . . . . 1 9 HIS+ HN parsed_1m2c 1
43 1 2 . . . . . . . . 1 8 CYS HA parsed_1m2c 1
44 1 1 . . . . . . . . 1 9 HIS+ HN parsed_1m2c 1
44 1 2 . . . . . . . . 1 9 HIS+ HB1 parsed_1m2c 1
45 1 1 . . . . . . . . 1 9 HIS+ HN parsed_1m2c 1
45 1 2 . . . . . . . . 1 9 HIS+ HB2 parsed_1m2c 1
46 1 1 . . . . . . . . 1 2 CYS HN parsed_1m2c 1
46 1 2 . . . . . . . . 1 2 CYS HA parsed_1m2c 1
47 1 1 . . . . . . . . 1 2 CYS HN parsed_1m2c 1
47 1 2 . . . . . . . . 1 2 CYS HB1 parsed_1m2c 1
48 1 1 . . . . . . . . 1 2 CYS HN parsed_1m2c 1
48 1 2 . . . . . . . . 1 2 CYS HB2 parsed_1m2c 1
49 1 1 . . . . . . . . 1 3 CYS HN parsed_1m2c 1
49 1 2 . . . . . . . . 1 2 CYS HA parsed_1m2c 1
50 1 1 . . . . . . . . 1 3 CYS HN parsed_1m2c 1
50 1 2 . . . . . . . . 1 3 CYS HA parsed_1m2c 1
51 1 1 . . . . . . . . 1 3 CYS HN parsed_1m2c 1
51 1 2 . . . . . . . . 1 3 CYS HB1 parsed_1m2c 1
52 1 1 . . . . . . . . 1 3 CYS HN parsed_1m2c 1
52 1 2 . . . . . . . . 1 2 CYS HB2 parsed_1m2c 1
53 1 1 . . . . . . . . 1 14 ASN HN parsed_1m2c 1
53 1 2 . . . . . . . . 1 14 ASN HA parsed_1m2c 1
54 1 1 . . . . . . . . 1 14 ASN HN parsed_1m2c 1
54 1 2 . . . . . . . . 1 13 SER HA parsed_1m2c 1
55 1 1 . . . . . . . . 1 12 HIS+ HE1 parsed_1m2c 1
55 1 2 . . . . . . . . 1 11 GLU HB2 parsed_1m2c 1
56 1 1 . . . . . . . . 1 9 HIS+ HE1 parsed_1m2c 1
56 1 2 . . . . . . . . 1 16 CYS HB2 parsed_1m2c 1
57 1 1 . . . . . . . . 1 9 HIS+ HE1 parsed_1m2c 1
57 1 2 . . . . . . . . 1 16 CYS HB1 parsed_1m2c 1
58 1 1 . . . . . . . . 1 5 ASN HN parsed_1m2c 1
58 1 2 . . . . . . . . 1 5 ASN HA parsed_1m2c 1
59 1 1 . . . . . . . . 1 5 ASN HN parsed_1m2c 1
59 1 2 . . . . . . . . 1 4 SER HA parsed_1m2c 1
60 1 1 . . . . . . . . 1 5 ASN HN parsed_1m2c 1
60 1 2 . . . . . . . . 1 5 ASN HB1 parsed_1m2c 1
61 1 1 . . . . . . . . 1 5 ASN HN parsed_1m2c 1
61 1 2 . . . . . . . . 1 5 ASN HB2 parsed_1m2c 1
62 1 1 . . . . . . . . 1 5 ASN HD21 parsed_1m2c 1
62 1 2 . . . . . . . . 1 5 ASN HB2 parsed_1m2c 1
63 1 1 . . . . . . . . 1 13 SER HN parsed_1m2c 1
63 1 2 . . . . . . . . 1 12 HIS+ HA parsed_1m2c 1
64 1 1 . . . . . . . . 1 13 SER HN parsed_1m2c 1
64 1 2 . . . . . . . . 1 13 SER HA parsed_1m2c 1
65 1 1 . . . . . . . . 1 4 SER HN parsed_1m2c 1
65 1 2 . . . . . . . . 1 4 SER HA parsed_1m2c 1
66 1 1 . . . . . . . . 1 8 CYS HN parsed_1m2c 1
66 1 2 . . . . . . . . 1 8 CYS HA parsed_1m2c 1
67 1 1 . . . . . . . . 1 4 SER HN parsed_1m2c 1
67 1 2 . . . . . . . . 1 4 SER HB1 parsed_1m2c 1
68 1 1 . . . . . . . . 1 4 SER HN parsed_1m2c 1
68 1 2 . . . . . . . . 1 4 SER HB2 parsed_1m2c 1
69 1 1 . . . . . . . . 1 8 CYS HN parsed_1m2c 1
69 1 2 . . . . . . . . 1 7 VAL HA parsed_1m2c 1
70 1 1 . . . . . . . . 1 8 CYS HN parsed_1m2c 1
70 1 2 . . . . . . . . 1 5 ASN HB1 parsed_1m2c 1
71 1 1 . . . . . . . . 1 8 CYS HN parsed_1m2c 1
71 1 2 . . . . . . . . 1 5 ASN HB2 parsed_1m2c 1
72 1 1 . . . . . . . . 1 4 SER HN parsed_1m2c 1
72 1 2 . . . . . . . . 1 3 CYS HB2 parsed_1m2c 1
73 1 1 . . . . . . . . 1 8 CYS HN parsed_1m2c 1
73 1 2 . . . . . . . . 1 7 VAL HB parsed_1m2c 1
74 1 1 . . . . . . . . 1 12 HIS+ HN parsed_1m2c 1
74 1 2 . . . . . . . . 1 12 HIS+ HA parsed_1m2c 1
75 1 1 . . . . . . . . 1 12 HIS+ HN parsed_1m2c 1
75 1 2 . . . . . . . . 1 11 GLU HA parsed_1m2c 1
76 1 1 . . . . . . . . 1 12 HIS+ HN parsed_1m2c 1
76 1 2 . . . . . . . . 1 13 SER HA parsed_1m2c 1
77 1 1 . . . . . . . . 1 12 HIS+ HN parsed_1m2c 1
77 1 2 . . . . . . . . 1 12 HIS+ HB2 parsed_1m2c 1
78 1 1 . . . . . . . . 1 12 HIS+ HN parsed_1m2c 1
78 1 2 . . . . . . . . 1 12 HIS+ HB1 parsed_1m2c 1
79 1 1 . . . . . . . . 1 12 HIS+ HN parsed_1m2c 1
79 1 2 . . . . . . . . 1 11 GLU HB1 parsed_1m2c 1
80 1 1 . . . . . . . . 1 12 HIS+ HN parsed_1m2c 1
80 1 2 . . . . . . . . 1 11 GLU HB2 parsed_1m2c 1
81 1 1 . . . . . . . . 1 15 LEU HN parsed_1m2c 1
81 1 2 . . . . . . . . 1 14 ASN HA parsed_1m2c 1
82 1 1 . . . . . . . . 1 15 LEU HN parsed_1m2c 1
82 1 2 . . . . . . . . 1 15 LEU HA parsed_1m2c 1
83 1 1 . . . . . . . . 1 15 LEU HN parsed_1m2c 1
83 1 2 . . . . . . . . 1 13 SER HA parsed_1m2c 1
84 1 1 . . . . . . . . 1 15 LEU HN parsed_1m2c 1
84 1 2 . . . . . . . . 1 12 HIS+ HB2 parsed_1m2c 1
85 1 1 . . . . . . . . 1 15 LEU HN parsed_1m2c 1
85 1 2 . . . . . . . . 1 15 LEU HG parsed_1m2c 1
86 1 1 . . . . . . . . 1 16 CYS HN parsed_1m2c 1
86 1 2 . . . . . . . . 1 16 CYS HA parsed_1m2c 1
87 1 1 . . . . . . . . 1 16 CYS HN parsed_1m2c 1
87 1 2 . . . . . . . . 1 15 LEU HA parsed_1m2c 1
88 1 1 . . . . . . . . 1 16 CYS HN parsed_1m2c 1
88 1 2 . . . . . . . . 1 13 SER HA parsed_1m2c 1
89 1 1 . . . . . . . . 1 16 CYS HN parsed_1m2c 1
89 1 2 . . . . . . . . 1 16 CYS HB1 parsed_1m2c 1
90 1 1 . . . . . . . . 1 16 CYS HN parsed_1m2c 1
90 1 2 . . . . . . . . 1 16 CYS HB2 parsed_1m2c 1
91 1 1 . . . . . . . . 1 11 GLU HN parsed_1m2c 1
91 1 2 . . . . . . . . 1 8 CYS HA parsed_1m2c 1
92 1 1 . . . . . . . . 1 11 GLU HN parsed_1m2c 1
92 1 2 . . . . . . . . 1 10 LEU HA parsed_1m2c 1
93 1 1 . . . . . . . . 1 11 GLU HN parsed_1m2c 1
93 1 2 . . . . . . . . 1 11 GLU HA parsed_1m2c 1
94 1 1 . . . . . . . . 1 11 GLU HN parsed_1m2c 1
94 1 2 . . . . . . . . 1 11 GLU HG2 parsed_1m2c 1
95 1 1 . . . . . . . . 1 11 GLU HN parsed_1m2c 1
95 1 2 . . . . . . . . 1 11 GLU HG1 parsed_1m2c 1
96 1 1 . . . . . . . . 1 11 GLU HN parsed_1m2c 1
96 1 2 . . . . . . . . 1 11 GLU HB1 parsed_1m2c 1
97 1 1 . . . . . . . . 1 11 GLU HN parsed_1m2c 1
97 1 2 . . . . . . . . 1 11 GLU HB2 parsed_1m2c 1
98 1 1 . . . . . . . . 1 12 HIS+ HD2 parsed_1m2c 1
98 1 2 . . . . . . . . 1 12 HIS+ HA parsed_1m2c 1
99 1 1 . . . . . . . . 1 10 LEU HN parsed_1m2c 1
99 1 2 . . . . . . . . 1 9 HIS+ HA parsed_1m2c 1
100 1 1 . . . . . . . . 1 10 LEU HN parsed_1m2c 1
100 1 2 . . . . . . . . 1 7 VAL HA parsed_1m2c 1
101 1 1 . . . . . . . . 1 10 LEU HN parsed_1m2c 1
101 1 2 . . . . . . . . 1 8 CYS HA parsed_1m2c 1
102 1 1 . . . . . . . . 1 7 VAL HN parsed_1m2c 1
102 1 2 . . . . . . . . 1 7 VAL HA parsed_1m2c 1
103 1 1 . . . . . . . . 1 7 VAL HN parsed_1m2c 1
103 1 2 . . . . . . . . 1 6 PRO HA parsed_1m2c 1
104 1 1 . . . . . . . . 1 10 LEU HN parsed_1m2c 1
104 1 2 . . . . . . . . 1 9 HIS+ HB2 parsed_1m2c 1
105 1 1 . . . . . . . . 1 7 VAL HN parsed_1m2c 1
105 1 2 . . . . . . . . 1 6 PRO HG1 parsed_1m2c 1
106 1 1 . . . . . . . . 1 7 VAL HN parsed_1m2c 1
106 1 2 . . . . . . . . 1 7 VAL HB parsed_1m2c 1
107 1 1 . . . . . . . . 1 10 LEU HN parsed_1m2c 1
107 1 2 . . . . . . . . 1 10 LEU HG parsed_1m2c 1
108 1 1 . . . . . . . . 1 17 NH2 HN1 parsed_1m2c 1
108 1 2 . . . . . . . . 1 16 CYS HA parsed_1m2c 1
109 1 1 . . . . . . . . 1 17 NH2 HN2 parsed_1m2c 1
109 1 2 . . . . . . . . 1 16 CYS HA parsed_1m2c 1
110 1 1 . . . . . . . . 1 17 NH2 HN2 parsed_1m2c 1
110 1 2 . . . . . . . . 1 14 ASN HA parsed_1m2c 1
111 1 1 . . . . . . . . 1 17 NH2 HN2 parsed_1m2c 1
111 1 2 . . . . . . . . 1 13 SER HA parsed_1m2c 1
112 1 1 . . . . . . . . 1 5 ASN HD22 parsed_1m2c 1
112 1 2 . . . . . . . . 1 7 VAL HB parsed_1m2c 1
113 1 1 . . . . . . . . 1 9 HIS+ HD2 parsed_1m2c 1
113 1 2 . . . . . . . . 1 3 CYS HA parsed_1m2c 1
114 1 1 . . . . . . . . 1 9 HIS+ HD2 parsed_1m2c 1
114 1 2 . . . . . . . . 1 9 HIS+ HA parsed_1m2c 1
115 1 1 . . . . . . . . 1 9 HIS+ HD2 parsed_1m2c 1
115 1 2 . . . . . . . . 1 10 LEU HA parsed_1m2c 1
116 1 1 . . . . . . . . 1 9 HIS+ HD2 parsed_1m2c 1
116 1 2 . . . . . . . . 1 13 SER HA parsed_1m2c 1
117 1 1 . . . . . . . . 1 9 HIS+ HD2 parsed_1m2c 1
117 1 2 . . . . . . . . 1 9 HIS+ HB2 parsed_1m2c 1
118 1 1 . . . . . . . . 1 9 HIS+ HD2 parsed_1m2c 1
118 1 2 . . . . . . . . 1 16 CYS HB1 parsed_1m2c 1
119 1 1 . . . . . . . . 1 9 HIS+ HD2 parsed_1m2c 1
119 1 2 . . . . . . . . 1 16 CYS HB2 parsed_1m2c 1
120 1 1 . . . . . . . . 1 6 PRO HD2 parsed_1m2c 1
120 1 2 . . . . . . . . 1 5 ASN HA parsed_1m2c 1
121 1 1 . . . . . . . . 1 13 SER HA parsed_1m2c 1
121 1 2 . . . . . . . . 1 16 CYS HB2 parsed_1m2c 1
122 1 1 . . . . . . . . 1 5 ASN HB1 parsed_1m2c 1
122 1 2 . . . . . . . . 1 5 ASN HA parsed_1m2c 1
123 1 1 . . . . . . . . 1 5 ASN HB2 parsed_1m2c 1
123 1 2 . . . . . . . . 1 5 ASN HA parsed_1m2c 1
124 1 1 . . . . . . . . 1 12 HIS+ HB2 parsed_1m2c 1
124 1 2 . . . . . . . . 1 12 HIS+ HA parsed_1m2c 1
125 1 1 . . . . . . . . 1 12 HIS+ HB1 parsed_1m2c 1
125 1 2 . . . . . . . . 1 12 HIS+ HA parsed_1m2c 1
126 1 1 . . . . . . . . 1 16 CYS HB1 parsed_1m2c 1
126 1 2 . . . . . . . . 1 16 CYS HA parsed_1m2c 1
127 1 1 . . . . . . . . 1 16 CYS HB2 parsed_1m2c 1
127 1 2 . . . . . . . . 1 16 CYS HA parsed_1m2c 1
128 1 1 . . . . . . . . 1 4 SER HB1 parsed_1m2c 1
128 1 2 . . . . . . . . 1 4 SER HA parsed_1m2c 1
129 1 1 . . . . . . . . 1 4 SER HB2 parsed_1m2c 1
129 1 2 . . . . . . . . 1 4 SER HA parsed_1m2c 1
130 1 1 . . . . . . . . 1 2 CYS HB1 parsed_1m2c 1
130 1 2 . . . . . . . . 1 2 CYS HA parsed_1m2c 1
131 1 1 . . . . . . . . 1 2 CYS HB2 parsed_1m2c 1
131 1 2 . . . . . . . . 1 2 CYS HA parsed_1m2c 1
132 1 1 . . . . . . . . 1 9 HIS+ HA parsed_1m2c 1
132 1 2 . . . . . . . . 1 9 HIS+ HB1 parsed_1m2c 1
133 1 1 . . . . . . . . 1 6 PRO HA parsed_1m2c 1
133 1 2 . . . . . . . . 1 6 PRO HB1 parsed_1m2c 1
134 1 1 . . . . . . . . 1 6 PRO HA parsed_1m2c 1
134 1 2 . . . . . . . . 1 6 PRO HB2 parsed_1m2c 1
135 1 1 . . . . . . . . 1 10 LEU HA parsed_1m2c 1
135 1 2 . . . . . . . . 1 10 LEU HG parsed_1m2c 1
136 1 1 . . . . . . . . 1 11 GLU HA parsed_1m2c 1
136 1 2 . . . . . . . . 1 11 GLU HG2 parsed_1m2c 1
137 1 1 . . . . . . . . 1 11 GLU HA parsed_1m2c 1
137 1 2 . . . . . . . . 1 11 GLU HB2 parsed_1m2c 1
138 1 1 . . . . . . . . 1 6 PRO HD2 parsed_1m2c 1
138 1 2 . . . . . . . . 1 6 PRO HD1 parsed_1m2c 1
139 1 1 . . . . . . . . 1 6 PRO HD1 parsed_1m2c 1
139 1 2 . . . . . . . . 1 6 PRO HG1 parsed_1m2c 1
140 1 1 . . . . . . . . 1 7 VAL HA parsed_1m2c 1
140 1 2 . . . . . . . . 1 7 VAL HB parsed_1m2c 1
141 1 1 . . . . . . . . 1 9 HIS+ HB1 parsed_1m2c 1
141 1 2 . . . . . . . . 1 9 HIS+ HB2 parsed_1m2c 1
142 1 1 . . . . . . . . 1 12 HIS+ HB2 parsed_1m2c 1
142 1 2 . . . . . . . . 1 12 HIS+ HB1 parsed_1m2c 1
143 1 1 . . . . . . . . 1 5 ASN HB1 parsed_1m2c 1
143 1 2 . . . . . . . . 1 5 ASN HB2 parsed_1m2c 1
144 1 1 . . . . . . . . 1 3 CYS HB1 parsed_1m2c 1
144 1 2 . . . . . . . . 1 3 CYS HB2 parsed_1m2c 1
145 1 1 . . . . . . . . 1 2 CYS HB1 parsed_1m2c 1
145 1 2 . . . . . . . . 1 2 CYS HB2 parsed_1m2c 1
146 1 1 . . . . . . . . 1 11 GLU HG2 parsed_1m2c 1
146 1 2 . . . . . . . . 1 11 GLU HG1 parsed_1m2c 1
147 1 1 . . . . . . . . 1 11 GLU HG2 parsed_1m2c 1
147 1 2 . . . . . . . . 1 11 GLU HB1 parsed_1m2c 1
148 1 1 . . . . . . . . 1 11 GLU HG2 parsed_1m2c 1
148 1 2 . . . . . . . . 1 11 GLU HB2 parsed_1m2c 1
149 1 1 . . . . . . . . 1 11 GLU HG1 parsed_1m2c 1
149 1 2 . . . . . . . . 1 11 GLU HB2 parsed_1m2c 1
150 1 1 . . . . . . . . 1 16 CYS HB1 parsed_1m2c 1
150 1 2 . . . . . . . . 1 16 CYS HB2 parsed_1m2c 1
151 1 1 . . . . . . . . 1 6 PRO HB1 parsed_1m2c 1
151 1 2 . . . . . . . . 1 6 PRO HG1 parsed_1m2c 1
152 1 1 . . . . . . . . 1 6 PRO HB1 parsed_1m2c 1
152 1 2 . . . . . . . . 1 6 PRO HB2 parsed_1m2c 1
153 1 1 . . . . . . . . 1 6 PRO HG1 parsed_1m2c 1
153 1 2 . . . . . . . . 1 6 PRO HG2 parsed_1m2c 1
154 1 1 . . . . . . . . 1 11 GLU HB1 parsed_1m2c 1
154 1 2 . . . . . . . . 1 11 GLU HB2 parsed_1m2c 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . -1.000 3.375 parsed_1m2c 1
2 1 . . . . . . -1.000 4.698 parsed_1m2c 1
3 1 . . . . . . -1.000 3.577 parsed_1m2c 1
4 1 . . . . . . -1.000 5.478 parsed_1m2c 1
5 1 . . . . . . -1.000 4.307 parsed_1m2c 1
6 1 . . . . . . -1.000 3.553 parsed_1m2c 1
7 1 . . . . . . -1.000 3.684 parsed_1m2c 1
8 1 . . . . . . -1.000 3.440 parsed_1m2c 1
9 1 . . . . . . -1.000 4.838 parsed_1m2c 1
10 1 . . . . . . -1.000 4.688 parsed_1m2c 1
11 1 . . . . . . -1.000 3.786 parsed_1m2c 1
12 1 . . . . . . -1.000 3.327 parsed_1m2c 1
13 1 . . . . . . -1.000 4.257 parsed_1m2c 1
14 1 . . . . . . -1.000 4.648 parsed_1m2c 1
15 1 . . . . . . -1.000 4.088 parsed_1m2c 1
16 1 . . . . . . -1.000 4.145 parsed_1m2c 1
17 1 . . . . . . -1.000 3.884 parsed_1m2c 1
18 1 . . . . . . -1.000 3.938 parsed_1m2c 1
19 1 . . . . . . -1.000 3.581 parsed_1m2c 1
20 1 . . . . . . -1.000 4.421 parsed_1m2c 1
21 1 . . . . . 2.891 -1.000 2.891 parsed_1m2c 1
22 1 . . . . . 3.086 -1.000 3.086 parsed_1m2c 1
23 1 . . . . . 3.259 -1.000 3.259 parsed_1m2c 1
24 1 . . . . . 5.169 -1.000 5.169 parsed_1m2c 1
25 1 . . . . . 2.946 -1.000 2.946 parsed_1m2c 1
26 1 . . . . . 3.005 -1.000 3.005 parsed_1m2c 1
27 1 . . . . . 2.824 -1.000 2.824 parsed_1m2c 1
28 1 . . . . . 4.619 -1.000 4.619 parsed_1m2c 1
29 1 . . . . . 2.538 -1.000 2.538 parsed_1m2c 1
30 1 . . . . . 4.645 -1.000 4.645 parsed_1m2c 1
31 1 . . . . . 1.929 -1.000 1.929 parsed_1m2c 1
32 1 . . . . . 2.923 -1.000 2.923 parsed_1m2c 1
33 1 . . . . . 3.811 -1.000 3.811 parsed_1m2c 1
34 1 . . . . . 4.490 -1.000 4.490 parsed_1m2c 1
35 1 . . . . . 2.602 -1.000 2.602 parsed_1m2c 1
36 1 . . . . . 2.697 -1.000 2.697 parsed_1m2c 1
37 1 . . . . . 3.441 -1.000 3.441 parsed_1m2c 1
38 1 . . . . . 2.347 -1.000 2.347 parsed_1m2c 1
39 1 . . . . . 2.648 -1.000 2.648 parsed_1m2c 1
40 1 . . . . . 3.001 -1.000 3.001 parsed_1m2c 1
41 1 . . . . . 2.067 -1.000 2.067 parsed_1m2c 1
42 1 . . . . . 2.736 -1.000 2.736 parsed_1m2c 1
43 1 . . . . . 3.059 -1.000 3.059 parsed_1m2c 1
44 1 . . . . . 2.574 -1.000 2.574 parsed_1m2c 1
45 1 . . . . . 2.530 -1.000 2.530 parsed_1m2c 1
46 1 . . . . . 3.004 -1.000 3.004 parsed_1m2c 1
47 1 . . . . . 2.574 -1.000 2.574 parsed_1m2c 1
48 1 . . . . . 2.665 -1.000 2.665 parsed_1m2c 1
49 1 . . . . . 3.745 -1.000 3.745 parsed_1m2c 1
50 1 . . . . . 3.004 -1.000 3.004 parsed_1m2c 1
51 1 . . . . . 2.961 -1.000 2.961 parsed_1m2c 1
52 1 . . . . . 2.698 -1.000 2.698 parsed_1m2c 1
53 1 . . . . . 3.016 -1.000 3.016 parsed_1m2c 1
54 1 . . . . . 2.895 -1.000 2.895 parsed_1m2c 1
55 1 . . . . . 3.985 -1.000 3.985 parsed_1m2c 1
56 1 . . . . . 4.588 -1.000 4.588 parsed_1m2c 1
57 1 . . . . . 3.774 -1.000 3.774 parsed_1m2c 1
58 1 . . . . . 3.113 -1.000 3.113 parsed_1m2c 1
59 1 . . . . . 3.460 -1.000 3.460 parsed_1m2c 1
60 1 . . . . . 2.595 -1.000 2.595 parsed_1m2c 1
61 1 . . . . . 3.459 -1.000 3.459 parsed_1m2c 1
62 1 . . . . . 3.169 -1.000 3.169 parsed_1m2c 1
63 1 . . . . . 2.665 -1.000 2.665 parsed_1m2c 1
64 1 . . . . . 2.392 -1.000 2.392 parsed_1m2c 1
65 1 . . . . . 3.046 -1.000 3.046 parsed_1m2c 1
66 1 . . . . . 2.563 -1.000 2.563 parsed_1m2c 1
67 1 . . . . . 3.288 -1.000 3.288 parsed_1m2c 1
68 1 . . . . . 3.529 -1.000 3.529 parsed_1m2c 1
69 1 . . . . . 3.442 -1.000 3.442 parsed_1m2c 1
70 1 . . . . . 2.937 -1.000 2.937 parsed_1m2c 1
71 1 . . . . . 4.074 -1.000 4.074 parsed_1m2c 1
72 1 . . . . . 3.283 -1.000 3.283 parsed_1m2c 1
73 1 . . . . . 2.629 -1.000 2.629 parsed_1m2c 1
74 1 . . . . . 2.919 -1.000 2.919 parsed_1m2c 1
75 1 . . . . . 3.306 -1.000 3.306 parsed_1m2c 1
76 1 . . . . . 3.752 -1.000 3.752 parsed_1m2c 1
77 1 . . . . . 4.276 -1.000 4.276 parsed_1m2c 1
78 1 . . . . . 2.807 -1.000 2.807 parsed_1m2c 1
79 1 . . . . . 3.177 -1.000 3.177 parsed_1m2c 1
80 1 . . . . . 3.293 -1.000 3.293 parsed_1m2c 1
81 1 . . . . . 3.421 -1.000 3.421 parsed_1m2c 1
82 1 . . . . . 2.910 -1.000 2.910 parsed_1m2c 1
83 1 . . . . . 3.635 -1.000 3.635 parsed_1m2c 1
84 1 . . . . . 3.570 -1.000 3.570 parsed_1m2c 1
85 1 . . . . . 2.952 -1.000 2.952 parsed_1m2c 1
86 1 . . . . . 3.088 -1.000 3.088 parsed_1m2c 1
87 1 . . . . . 3.409 -1.000 3.409 parsed_1m2c 1
88 1 . . . . . 3.421 -1.000 3.421 parsed_1m2c 1
89 1 . . . . . 3.625 -1.000 3.625 parsed_1m2c 1
90 1 . . . . . 2.604 -1.000 2.604 parsed_1m2c 1
91 1 . . . . . 3.614 -1.000 3.614 parsed_1m2c 1
92 1 . . . . . 3.352 -1.000 3.352 parsed_1m2c 1
93 1 . . . . . 2.948 -1.000 2.948 parsed_1m2c 1
94 1 . . . . . 2.826 -1.000 2.826 parsed_1m2c 1
95 1 . . . . . 3.766 -1.000 3.766 parsed_1m2c 1
96 1 . . . . . 2.530 -1.000 2.530 parsed_1m2c 1
97 1 . . . . . 3.035 -1.000 3.035 parsed_1m2c 1
98 1 . . . . . 3.273 -1.000 3.273 parsed_1m2c 1
99 1 . . . . . 3.159 -1.000 3.159 parsed_1m2c 1
100 1 . . . . . 3.286 -1.000 3.286 parsed_1m2c 1
101 1 . . . . . 3.085 -1.000 3.085 parsed_1m2c 1
102 1 . . . . . 2.995 -1.000 2.995 parsed_1m2c 1
103 1 . . . . . 3.204 -1.000 3.204 parsed_1m2c 1
104 1 . . . . . 2.530 -1.000 2.530 parsed_1m2c 1
105 1 . . . . . 3.210 -1.000 3.210 parsed_1m2c 1
106 1 . . . . . 2.194 -1.000 2.194 parsed_1m2c 1
107 1 . . . . . 3.088 -1.000 3.088 parsed_1m2c 1
108 1 . . . . . 4.491 -1.000 4.491 parsed_1m2c 1
109 1 . . . . . 3.980 -1.000 3.980 parsed_1m2c 1
110 1 . . . . . 4.223 -1.000 4.223 parsed_1m2c 1
111 1 . . . . . 3.590 -1.000 3.590 parsed_1m2c 1
112 1 . . . . . 3.683 -1.000 3.683 parsed_1m2c 1
113 1 . . . . . 4.169 -1.000 4.169 parsed_1m2c 1
114 1 . . . . . 3.594 -1.000 3.594 parsed_1m2c 1
115 1 . . . . . 3.555 -1.000 3.555 parsed_1m2c 1
116 1 . . . . . 3.218 -1.000 3.218 parsed_1m2c 1
117 1 . . . . . 3.184 -1.000 3.184 parsed_1m2c 1
118 1 . . . . . 3.783 -1.000 3.783 parsed_1m2c 1
119 1 . . . . . 3.618 -1.000 3.618 parsed_1m2c 1
120 1 . . . . . 2.255 -1.000 2.255 parsed_1m2c 1
121 1 . . . . . 3.157 -1.000 3.157 parsed_1m2c 1
122 1 . . . . . 3.439 -1.000 3.439 parsed_1m2c 1
123 1 . . . . . 2.554 -1.000 2.554 parsed_1m2c 1
124 1 . . . . . 2.470 -1.000 2.470 parsed_1m2c 1
125 1 . . . . . 2.982 -1.000 2.982 parsed_1m2c 1
126 1 . . . . . 2.585 -1.000 2.585 parsed_1m2c 1
127 1 . . . . . 3.154 -1.000 3.154 parsed_1m2c 1
128 1 . . . . . 2.683 -1.000 2.683 parsed_1m2c 1
129 1 . . . . . 2.531 -1.000 2.531 parsed_1m2c 1
130 1 . . . . . 2.404 -1.000 2.404 parsed_1m2c 1
131 1 . . . . . 3.030 -1.000 3.030 parsed_1m2c 1
132 1 . . . . . 2.379 -1.000 2.379 parsed_1m2c 1
133 1 . . . . . 2.541 -1.000 2.541 parsed_1m2c 1
134 1 . . . . . 2.718 -1.000 2.718 parsed_1m2c 1
135 1 . . . . . 3.366 -1.000 3.366 parsed_1m2c 1
136 1 . . . . . 3.359 -1.000 3.359 parsed_1m2c 1
137 1 . . . . . 2.545 -1.000 2.545 parsed_1m2c 1
138 1 . . . . . 1.666 -1.000 1.666 parsed_1m2c 1
139 1 . . . . . 2.531 -1.000 2.531 parsed_1m2c 1
140 1 . . . . . 3.107 -1.000 3.107 parsed_1m2c 1
141 1 . . . . . 1.713 -1.000 1.713 parsed_1m2c 1
142 1 . . . . . 1.776 -1.000 1.776 parsed_1m2c 1
143 1 . . . . . 1.785 -1.000 1.785 parsed_1m2c 1
144 1 . . . . . 1.831 -1.000 1.831 parsed_1m2c 1
145 1 . . . . . 1.894 -1.000 1.894 parsed_1m2c 1
146 1 . . . . . 1.969 -1.000 1.969 parsed_1m2c 1
147 1 . . . . . 2.924 -1.000 2.924 parsed_1m2c 1
148 1 . . . . . 2.960 -1.000 2.960 parsed_1m2c 1
149 1 . . . . . 2.931 -1.000 2.931 parsed_1m2c 1
150 1 . . . . . 1.867 -1.000 1.867 parsed_1m2c 1
151 1 . . . . . 2.705 -1.000 2.705 parsed_1m2c 1
152 1 . . . . . 1.962 -1.000 1.962 parsed_1m2c 1
153 1 . . . . . 1.682 -1.000 1.682 parsed_1m2c 1
154 1 . . . . . 1.815 -1.000 1.815 parsed_1m2c 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 distance 1 1 1 9 parsed_1m2c 1
2 NOE_distance 22 1 23 13 parsed_1m2c 1
stop_
save_
save_MR_file_comment_4
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1m2c
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 4
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
!
#mixing_times
7.500000E-021.500000E-01 2.500000E-01 3.500000E-01
!
;
save_
save_Discover_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1m2c
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . 1 1 GLYN C 1 2 CYS N 1 2 CYS CA 1 2 CYS C parsed_1m2c 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . 1 2 CYS C 1 3 CYS N 1 3 CYS CA 1 3 CYS C parsed_1m2c 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . 1 3 CYS C 1 4 SER N 1 4 SER CA 1 4 SER C parsed_1m2c 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -90.000 . 1 4 SER C 1 5 ASN N 1 5 ASN CA 1 5 ASN C parsed_1m2c 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . 1 7 VAL C 1 8 CYS N 1 8 CYS CA 1 8 CYS C parsed_1m2c 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . 1 8 CYS C 1 9 HIS+ N 1 9 HIS+ CA 1 9 HIS+ C parsed_1m2c 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . 1 9 HIS+ C 1 10 LEU N 1 10 LEU CA 1 10 LEU C parsed_1m2c 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -90.000 . 1 11 GLU C 1 12 HIS+ N 1 12 HIS+ CA 1 12 HIS+ C parsed_1m2c 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . 1 12 HIS+ C 1 13 SER N 1 13 SER CA 1 13 SER C parsed_1m2c 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . 1 13 SER C 1 14 ASN N 1 14 ASN CA 1 14 ASN C parsed_1m2c 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . 1 14 ASN C 1 15 LEU N 1 15 LEU CA 1 15 LEU C parsed_1m2c 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 150.000 . 1 2 CYS N 1 2 CYS CA 1 2 CYS CB 1 2 CYS SG parsed_1m2c 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 150.000 . 1 9 HIS+ N 1 9 HIS+ CA 1 9 HIS+ CB 1 9 HIS+ CG parsed_1m2c 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . 1 5 ASN N 1 5 ASN CA 1 5 ASN CB 1 5 ASN CG parsed_1m2c 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1 NMR_dihedral 1 1 1 13 parsed_1m2c 1
stop_
save_
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