NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
36406 |
1nil   |
cing | 2-parsed | STAR | entry | full | 173 |
data_1nil_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1nil
_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_1nil 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1nil
_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 1nil "Master copy" parsed_1nil
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1nil
_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 1nil.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1nil 1
1 1nil.mr . . DISCOVER 2 stereochemistry chirality "Not applicable" 0 parsed_1nil 1
1 1nil.mr . . DISCOVER 3 distance "hydrogen bond" simple 4 parsed_1nil 1
1 1nil.mr . . DISCOVER 4 distance NOE simple 169 parsed_1nil 1
1 1nil.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1nil 1
1 1nil.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1nil 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_1nil
_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 FIMBRIAL PROTEIN 05-OCT-95 1NIL
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: PAK PILIN, TRANS;
*COMPND 3 CHAIN: NULL;
*COMPND 4 DOMAIN: RESIDUES 128 - 144 (ACE-KCTSDQDEQFIPKGCSK-OH);
*COMPND 5 SYNONYM: FIMBRIAL PROTEIN;
*COMPND 6 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA;
*SOURCE 4 STRAIN: K
*EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE
*AUTHOR A.P.CAMPBELL,C.MCINNES,R.S.HODGES,B.D.SYKES
*REVDAT 1 29-JAN-96 1NIL 0
!BIOSYM restraint 1
! pak_128-114.rstrnt
! contains replacement data for 1NIL-MR and 1NIM
! pseudo-atom corrected
! stereosp assign for LYS_128, CYS_129, GLN_133, ASP_134, GLU_135, PHE_137, PRO_139, GLY_141, and CYS_142
! LYS_128:HB1=HBS,HB2=HBR
! CYS_129:HB1=HBS,HB2=HBR; CYS_142:HB1=HBS,HB2=HBR
! GLN_133:HB1=HBS,HB2=HBR
! ASP_134:HB1=HBS,HB2=HBR
! GLU_135:HB1=HBS,HB2=HBR
! PHE_137:HB1=HBS,HB2=HBR
! PRO_139:HB1=HBS,HB2=HBR; HD1=HDR,HD2=HDS.
! GLY_141:HA1=HAS,HA2=HAR
!
;
save_
save_Discover_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1nil
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_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_1nil 1
2 1 . . . parsed_1nil 1
3 1 . . . parsed_1nil 1
4 1 . . . parsed_1nil 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 . . . . . . . . 1 139 PRO O parsed_1nil 1
1 1 2 . . . . . . . . 1 142 CYS HN parsed_1nil 1
2 1 1 . . . . . . . . 1 139 PRO O parsed_1nil 1
2 1 2 . . . . . . . . 1 142 CYS N parsed_1nil 1
3 1 1 . . . . . . . . 1 134 ASP O parsed_1nil 1
3 1 2 . . . . . . . . 1 137 PHE HN parsed_1nil 1
4 1 1 . . . . . . . . 1 134 ASP O parsed_1nil 1
4 1 2 . . . . . . . . 1 137 PHE N parsed_1nil 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 . . . . . . 1.800 2.500 parsed_1nil 1
2 1 . . . . . . 1.800 3.000 parsed_1nil 1
3 1 . . . . . . 1.800 2.500 parsed_1nil 1
4 1 . . . . . . 1.800 3.000 parsed_1nil 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_1nil 1
stop_
save_
save_Discover_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1nil
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_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_1nil 2
2 1 . . . parsed_1nil 2
3 1 . . . parsed_1nil 2
4 1 . . . parsed_1nil 2
5 1 . . . parsed_1nil 2
6 1 . . . parsed_1nil 2
7 1 . . . parsed_1nil 2
8 1 . . . parsed_1nil 2
9 1 . . . parsed_1nil 2
10 1 . . . parsed_1nil 2
11 1 . . . parsed_1nil 2
12 1 . . . parsed_1nil 2
13 1 . . . parsed_1nil 2
14 1 . . . parsed_1nil 2
15 1 . . . parsed_1nil 2
16 1 . . . parsed_1nil 2
17 1 . . . parsed_1nil 2
18 1 . . . parsed_1nil 2
19 1 . . . parsed_1nil 2
20 1 . . . parsed_1nil 2
21 1 . . . parsed_1nil 2
22 1 . . . parsed_1nil 2
23 1 . . . parsed_1nil 2
24 1 . . . parsed_1nil 2
25 1 . . . parsed_1nil 2
26 1 . . . parsed_1nil 2
27 1 . . . parsed_1nil 2
28 1 . . . parsed_1nil 2
29 1 . . . parsed_1nil 2
30 1 . . . parsed_1nil 2
31 1 . . . parsed_1nil 2
32 1 . . . parsed_1nil 2
33 1 . . . parsed_1nil 2
34 1 . . . parsed_1nil 2
35 1 . . . parsed_1nil 2
36 1 . . . parsed_1nil 2
37 1 . . . parsed_1nil 2
38 1 . . . parsed_1nil 2
39 1 . . . parsed_1nil 2
40 1 . . . parsed_1nil 2
41 1 . . . parsed_1nil 2
42 1 . . . parsed_1nil 2
43 1 . . . parsed_1nil 2
44 1 . . . parsed_1nil 2
45 1 . . . parsed_1nil 2
46 1 . . . parsed_1nil 2
47 1 . . . parsed_1nil 2
48 1 . . . parsed_1nil 2
49 1 . . . parsed_1nil 2
50 1 . . . parsed_1nil 2
51 1 . . . parsed_1nil 2
52 1 . . . parsed_1nil 2
53 1 . . . parsed_1nil 2
54 1 . . . parsed_1nil 2
55 1 . . . parsed_1nil 2
56 1 . . . parsed_1nil 2
57 1 . . . parsed_1nil 2
58 1 . . . parsed_1nil 2
59 1 . . . parsed_1nil 2
60 1 . . . parsed_1nil 2
61 1 . . . parsed_1nil 2
62 1 . . . parsed_1nil 2
63 1 . . . parsed_1nil 2
64 1 . . . parsed_1nil 2
65 1 . . . parsed_1nil 2
66 1 . . . parsed_1nil 2
67 1 . . . parsed_1nil 2
68 1 . . . parsed_1nil 2
69 1 . . . parsed_1nil 2
70 1 . . . parsed_1nil 2
71 1 . . . parsed_1nil 2
72 1 . . . parsed_1nil 2
73 1 . . . parsed_1nil 2
74 1 . . . parsed_1nil 2
75 1 . . . parsed_1nil 2
76 1 . . . parsed_1nil 2
77 1 . . . parsed_1nil 2
78 1 . . . parsed_1nil 2
79 1 . . . parsed_1nil 2
80 1 . . . parsed_1nil 2
81 1 . . . parsed_1nil 2
82 1 . . . parsed_1nil 2
83 1 . . . parsed_1nil 2
84 1 . . . parsed_1nil 2
85 1 . . . parsed_1nil 2
86 1 . . . parsed_1nil 2
87 1 . . . parsed_1nil 2
88 1 . . . parsed_1nil 2
89 1 . . . parsed_1nil 2
90 1 . . . parsed_1nil 2
91 1 . . . parsed_1nil 2
92 1 . . . parsed_1nil 2
93 1 . . . parsed_1nil 2
94 1 . . . parsed_1nil 2
95 1 . . . parsed_1nil 2
96 1 . . . parsed_1nil 2
97 1 . . . parsed_1nil 2
98 1 . . . parsed_1nil 2
99 1 . . . parsed_1nil 2
100 1 . . . parsed_1nil 2
101 1 . . . parsed_1nil 2
102 1 . . . parsed_1nil 2
103 1 . . . parsed_1nil 2
104 1 . . . parsed_1nil 2
105 1 . . . parsed_1nil 2
106 1 . . . parsed_1nil 2
107 1 . . . parsed_1nil 2
108 1 . . . parsed_1nil 2
109 1 . . . parsed_1nil 2
110 1 . . . parsed_1nil 2
111 1 . . . parsed_1nil 2
112 1 . . . parsed_1nil 2
113 1 . . . parsed_1nil 2
114 1 . . . parsed_1nil 2
115 1 . . . parsed_1nil 2
116 1 . . . parsed_1nil 2
117 1 . . . parsed_1nil 2
118 1 . . . parsed_1nil 2
119 1 . . . parsed_1nil 2
120 1 . . . parsed_1nil 2
121 1 . . . parsed_1nil 2
122 1 . . . parsed_1nil 2
123 1 . . . parsed_1nil 2
124 1 . . . parsed_1nil 2
125 1 . . . parsed_1nil 2
126 1 . . . parsed_1nil 2
127 1 . . . parsed_1nil 2
128 1 . . . parsed_1nil 2
129 1 . . . parsed_1nil 2
130 1 . . . parsed_1nil 2
131 1 . . . parsed_1nil 2
132 1 . . . parsed_1nil 2
133 1 . . . parsed_1nil 2
134 1 . . . parsed_1nil 2
135 1 . . . parsed_1nil 2
136 1 . . . parsed_1nil 2
137 1 . . . parsed_1nil 2
138 1 . . . parsed_1nil 2
139 1 . . . parsed_1nil 2
140 1 . . . parsed_1nil 2
141 1 . . . parsed_1nil 2
142 1 . . . parsed_1nil 2
143 1 . . . parsed_1nil 2
144 1 . . . parsed_1nil 2
145 1 . . . parsed_1nil 2
146 1 . . . parsed_1nil 2
147 1 . . . parsed_1nil 2
148 1 . . . parsed_1nil 2
149 1 . . . parsed_1nil 2
150 1 . . . parsed_1nil 2
151 1 . . . parsed_1nil 2
152 1 . . . parsed_1nil 2
153 1 . . . parsed_1nil 2
154 1 . . . parsed_1nil 2
155 1 . . . parsed_1nil 2
156 1 . . . parsed_1nil 2
157 1 . . . parsed_1nil 2
158 1 . . . parsed_1nil 2
159 1 . . . parsed_1nil 2
160 1 . . . parsed_1nil 2
161 1 . . . parsed_1nil 2
162 1 . . . parsed_1nil 2
163 1 . . . parsed_1nil 2
164 1 . . . parsed_1nil 2
165 1 . . . parsed_1nil 2
166 1 . . . parsed_1nil 2
167 1 . . . parsed_1nil 2
168 1 . . . parsed_1nil 2
169 1 . . . parsed_1nil 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 . . . . . . . . 1 137 PHE HD* parsed_1nil 2
1 1 2 . . . . . . . . 1 137 PHE HBS parsed_1nil 2
2 1 1 . . . . . . . . 1 138 ILE HN parsed_1nil 2
2 1 2 . . . . . . . . 1 139 PRO HDR parsed_1nil 2
3 1 1 . . . . . . . . 1 138 ILE HN parsed_1nil 2
3 1 2 . . . . . . . . 1 139 PRO HDS parsed_1nil 2
4 1 1 . . . . . . . . 1 137 PHE HN parsed_1nil 2
4 1 2 . . . . . . . . 1 137 PHE HBR parsed_1nil 2
5 1 1 . . . . . . . . 1 137 PHE HN parsed_1nil 2
5 1 2 . . . . . . . . 1 137 PHE HBS parsed_1nil 2
6 1 1 . . . . . . . . 1 137 PHE HN parsed_1nil 2
6 1 2 . . . . . . . . 1 135 GLU HG* parsed_1nil 2
7 1 1 . . . . . . . . 1 137 PHE HN parsed_1nil 2
7 1 2 . . . . . . . . 1 135 GLU HBS parsed_1nil 2
8 1 1 . . . . . . . . 1 138 ILE HN parsed_1nil 2
8 1 2 . . . . . . . . 1 138 ILE HB parsed_1nil 2
9 1 1 . . . . . . . . 1 138 ILE HN parsed_1nil 2
9 1 2 . . . . . . . . 1 138 ILE HG11 parsed_1nil 2
10 1 1 . . . . . . . . 1 138 ILE HN parsed_1nil 2
10 1 2 . . . . . . . . 1 138 ILE HG12 parsed_1nil 2
11 1 1 . . . . . . . . 1 138 ILE HN parsed_1nil 2
11 1 2 . . . . . . . . 1 138 ILE HD1* parsed_1nil 2
12 1 1 . . . . . . . . 1 142 CYS HN parsed_1nil 2
12 1 2 . . . . . . . . 1 142 CYS HA parsed_1nil 2
13 1 1 . . . . . . . . 1 142 CYS HN parsed_1nil 2
13 1 2 . . . . . . . . 1 140 LYS HA parsed_1nil 2
14 1 1 . . . . . . . . 1 135 GLU HA parsed_1nil 2
14 1 2 . . . . . . . . 1 137 PHE HN parsed_1nil 2
15 1 1 . . . . . . . . 1 142 CYS HN parsed_1nil 2
15 1 2 . . . . . . . . 1 141 GLY HAS parsed_1nil 2
16 1 1 . . . . . . . . 1 142 CYS HN parsed_1nil 2
16 1 2 . . . . . . . . 1 141 GLY HAR parsed_1nil 2
17 1 1 . . . . . . . . 1 142 CYS HN parsed_1nil 2
17 1 2 . . . . . . . . 1 142 CYS HBS parsed_1nil 2
18 1 1 . . . . . . . . 1 142 CYS HN parsed_1nil 2
18 1 2 . . . . . . . . 1 142 CYS HBR parsed_1nil 2
19 1 1 . . . . . . . . 1 142 CYS HN parsed_1nil 2
19 1 2 . . . . . . . . 1 139 PRO HG1 parsed_1nil 2
20 1 1 . . . . . . . . 1 142 CYS HN parsed_1nil 2
20 1 2 . . . . . . . . 1 139 PRO HBS parsed_1nil 2
21 1 1 . . . . . . . . 1 142 CYS HN parsed_1nil 2
21 1 2 . . . . . . . . 1 138 ILE HB parsed_1nil 2
22 1 1 . . . . . . . . 1 142 CYS HN parsed_1nil 2
22 1 2 . . . . . . . . 1 138 ILE HD1* parsed_1nil 2
23 1 1 . . . . . . . . 1 144 LYS HN parsed_1nil 2
23 1 2 . . . . . . . . 1 143 SER HA parsed_1nil 2
24 1 1 . . . . . . . . 1 144 LYS HN parsed_1nil 2
24 1 2 . . . . . . . . 1 144 LYS HA parsed_1nil 2
25 1 1 . . . . . . . . 1 144 LYS HN parsed_1nil 2
25 1 2 . . . . . . . . 1 143 SER HB* parsed_1nil 2
26 1 1 . . . . . . . . 1 144 LYS HN parsed_1nil 2
26 1 2 . . . . . . . . 1 144 LYS HG* parsed_1nil 2
27 1 1 . . . . . . . . 1 130 THR HN parsed_1nil 2
27 1 2 . . . . . . . . 1 129 CYS HA parsed_1nil 2
28 1 1 . . . . . . . . 1 130 THR HN parsed_1nil 2
28 1 2 . . . . . . . . 1 130 THR HA parsed_1nil 2
29 1 1 . . . . . . . . 1 130 THR HN parsed_1nil 2
29 1 2 . . . . . . . . 1 130 THR HB parsed_1nil 2
30 1 1 . . . . . . . . 1 130 THR HN parsed_1nil 2
30 1 2 . . . . . . . . 1 129 CYS HBS parsed_1nil 2
31 1 1 . . . . . . . . 1 130 THR HN parsed_1nil 2
31 1 2 . . . . . . . . 1 129 CYS HBR parsed_1nil 2
32 1 1 . . . . . . . . 1 130 THR HN parsed_1nil 2
32 1 2 . . . . . . . . 1 130 THR HG2* parsed_1nil 2
33 1 1 . . . . . . . . 1 133 GLN HN parsed_1nil 2
33 1 2 . . . . . . . . 1 132 ASP HA parsed_1nil 2
34 1 1 . . . . . . . . 1 133 GLN HN parsed_1nil 2
34 1 2 . . . . . . . . 1 133 GLN HA parsed_1nil 2
35 1 1 . . . . . . . . 1 133 GLN HN parsed_1nil 2
35 1 2 . . . . . . . . 1 132 ASP HB* parsed_1nil 2
36 1 1 . . . . . . . . 1 133 GLN HN parsed_1nil 2
36 1 2 . . . . . . . . 1 133 GLN HG* parsed_1nil 2
37 1 1 . . . . . . . . 1 133 GLN HN parsed_1nil 2
37 1 2 . . . . . . . . 1 133 GLN HBS parsed_1nil 2
38 1 1 . . . . . . . . 1 133 GLN HN parsed_1nil 2
38 1 2 . . . . . . . . 1 133 GLN HBR parsed_1nil 2
39 1 1 . . . . . . . . 1 134 ASP HN parsed_1nil 2
39 1 2 . . . . . . . . 1 134 ASP HA parsed_1nil 2
40 1 1 . . . . . . . . 1 134 ASP HN parsed_1nil 2
40 1 2 . . . . . . . . 1 133 GLN HA parsed_1nil 2
41 1 1 . . . . . . . . 1 134 ASP HN parsed_1nil 2
41 1 2 . . . . . . . . 1 134 ASP HBS parsed_1nil 2
42 1 1 . . . . . . . . 1 134 ASP HN parsed_1nil 2
42 1 2 . . . . . . . . 1 134 ASP HBR parsed_1nil 2
43 1 1 . . . . . . . . 1 135 GLU HN parsed_1nil 2
43 1 2 . . . . . . . . 1 135 GLU HA parsed_1nil 2
44 1 1 . . . . . . . . 1 135 GLU HN parsed_1nil 2
44 1 2 . . . . . . . . 1 134 ASP HA parsed_1nil 2
45 1 1 . . . . . . . . 1 135 GLU HN parsed_1nil 2
45 1 2 . . . . . . . . 1 135 GLU HG* parsed_1nil 2
46 1 1 . . . . . . . . 1 135 GLU HN parsed_1nil 2
46 1 2 . . . . . . . . 1 135 GLU HBS parsed_1nil 2
47 1 1 . . . . . . . . 1 135 GLU HN parsed_1nil 2
47 1 2 . . . . . . . . 1 135 GLU HBR parsed_1nil 2
48 1 1 . . . . . . . . 1 128 LYS HN parsed_1nil 2
48 1 2 . . . . . . . . 1 128 LYS HA parsed_1nil 2
49 1 1 . . . . . . . . 1 128 LYS HN parsed_1nil 2
49 1 2 . . . . . . . . 1 128 LYS HD* parsed_1nil 2
50 1 1 . . . . . . . . 1 128 LYS HN parsed_1nil 2
50 1 2 . . . . . . . . 1 128 LYS HG* parsed_1nil 2
51 1 1 . . . . . . . . 1 143 SER HN parsed_1nil 2
51 1 2 . . . . . . . . 1 142 CYS HA parsed_1nil 2
52 1 1 . . . . . . . . 1 143 SER HN parsed_1nil 2
52 1 2 . . . . . . . . 1 142 CYS HBS parsed_1nil 2
53 1 1 . . . . . . . . 1 143 SER HN parsed_1nil 2
53 1 2 . . . . . . . . 1 142 CYS HBR parsed_1nil 2
54 1 1 . . . . . . . . 1 132 ASP HN parsed_1nil 2
54 1 2 . . . . . . . . 1 132 ASP HA parsed_1nil 2
55 1 1 . . . . . . . . 1 132 ASP HN parsed_1nil 2
55 1 2 . . . . . . . . 1 132 ASP HB* parsed_1nil 2
56 1 1 . . . . . . . . 1 131 SER HN parsed_1nil 2
56 1 2 . . . . . . . . 1 130 THR HA parsed_1nil 2
57 1 1 . . . . . . . . 1 131 SER HN parsed_1nil 2
57 1 2 . . . . . . . . 1 130 THR HG2* parsed_1nil 2
58 1 1 . . . . . . . . 1 136 GLN HN parsed_1nil 2
58 1 2 . . . . . . . . 1 135 GLU HA parsed_1nil 2
59 1 1 . . . . . . . . 1 136 GLN HN parsed_1nil 2
59 1 2 . . . . . . . . 1 136 GLN HG* parsed_1nil 2
60 1 1 . . . . . . . . 1 136 GLN HN parsed_1nil 2
60 1 2 . . . . . . . . 1 136 GLN HB* parsed_1nil 2
61 1 1 . . . . . . . . 1 137 PHE HN parsed_1nil 2
61 1 2 . . . . . . . . 1 137 PHE HA parsed_1nil 2
62 1 1 . . . . . . . . 1 138 ILE HN parsed_1nil 2
62 1 2 . . . . . . . . 1 138 ILE HA parsed_1nil 2
63 1 1 . . . . . . . . 1 138 ILE HN parsed_1nil 2
63 1 2 . . . . . . . . 1 137 PHE HA parsed_1nil 2
64 1 1 . . . . . . . . 1 137 PHE HN parsed_1nil 2
64 1 2 . . . . . . . . 1 136 GLN HA parsed_1nil 2
65 1 1 . . . . . . . . 1 140 LYS HN parsed_1nil 2
65 1 2 . . . . . . . . 1 139 PRO HA parsed_1nil 2
66 1 1 . . . . . . . . 1 140 LYS HN parsed_1nil 2
66 1 2 . . . . . . . . 1 140 LYS HA parsed_1nil 2
67 1 1 . . . . . . . . 1 140 LYS HN parsed_1nil 2
67 1 2 . . . . . . . . 1 139 PRO HBR parsed_1nil 2
68 1 1 . . . . . . . . 1 140 LYS HN parsed_1nil 2
68 1 2 . . . . . . . . 1 140 LYS HG* parsed_1nil 2
69 1 1 . . . . . . . . 1 141 GLY HN parsed_1nil 2
69 1 2 . . . . . . . . 1 140 LYS HA parsed_1nil 2
70 1 1 . . . . . . . . 1 141 GLY HN parsed_1nil 2
70 1 2 . . . . . . . . 1 141 GLY HAS parsed_1nil 2
71 1 1 . . . . . . . . 1 141 GLY HN parsed_1nil 2
71 1 2 . . . . . . . . 1 141 GLY HAR parsed_1nil 2
72 1 1 . . . . . . . . 1 141 GLY HN parsed_1nil 2
72 1 2 . . . . . . . . 1 140 LYS HB* parsed_1nil 2
73 1 1 . . . . . . . . 1 141 GLY HN parsed_1nil 2
73 1 2 . . . . . . . . 1 140 LYS HG* parsed_1nil 2
74 1 1 . . . . . . . . 1 141 GLY HN parsed_1nil 2
74 1 2 . . . . . . . . 1 138 ILE HD1* parsed_1nil 2
75 1 1 . . . . . . . . 1 129 CYS HN parsed_1nil 2
75 1 2 . . . . . . . . 1 129 CYS HA parsed_1nil 2
76 1 1 . . . . . . . . 1 129 CYS HN parsed_1nil 2
76 1 2 . . . . . . . . 1 128 LYS HA parsed_1nil 2
77 1 1 . . . . . . . . 1 129 CYS HN parsed_1nil 2
77 1 2 . . . . . . . . 1 129 CYS HBS parsed_1nil 2
78 1 1 . . . . . . . . 1 129 CYS HN parsed_1nil 2
78 1 2 . . . . . . . . 1 129 CYS HBR parsed_1nil 2
79 1 1 . . . . . . . . 1 129 CYS HN parsed_1nil 2
79 1 2 . . . . . . . . 1 128 LYS HBS parsed_1nil 2
80 1 1 . . . . . . . . 1 129 CYS HN parsed_1nil 2
80 1 2 . . . . . . . . 1 128 LYS HBR parsed_1nil 2
81 1 1 . . . . . . . . 1 129 CYS HN parsed_1nil 2
81 1 2 . . . . . . . . 1 128 LYS HG* parsed_1nil 2
82 1 1 . . . . . . . . 1 129 CYS HN parsed_1nil 2
82 1 2 . . . . . . . . 1 130 THR HG2* parsed_1nil 2
83 1 1 . . . . . . . . 1 137 PHE HN parsed_1nil 2
83 1 2 . . . . . . . . 1 136 GLN HN parsed_1nil 2
84 1 1 . . . . . . . . 1 137 PHE HN parsed_1nil 2
84 1 2 . . . . . . . . 1 137 PHE HD* parsed_1nil 2
85 1 1 . . . . . . . . 1 137 PHE HN parsed_1nil 2
85 1 2 . . . . . . . . 1 137 PHE HE* parsed_1nil 2
86 1 1 . . . . . . . . 1 142 CYS HN parsed_1nil 2
86 1 2 . . . . . . . . 1 141 GLY HN parsed_1nil 2
87 1 1 . . . . . . . . 1 142 CYS HN parsed_1nil 2
87 1 2 . . . . . . . . 1 143 SER HN parsed_1nil 2
88 1 1 . . . . . . . . 1 144 LYS HN parsed_1nil 2
88 1 2 . . . . . . . . 1 143 SER HN parsed_1nil 2
89 1 1 . . . . . . . . 1 130 THR HN parsed_1nil 2
89 1 2 . . . . . . . . 1 131 SER HN parsed_1nil 2
90 1 1 . . . . . . . . 1 131 SER HN parsed_1nil 2
90 1 2 . . . . . . . . 1 132 ASP HN parsed_1nil 2
91 1 1 . . . . . . . . 1 133 GLN HN parsed_1nil 2
91 1 2 . . . . . . . . 1 132 ASP HN parsed_1nil 2
92 1 1 . . . . . . . . 1 130 THR HN parsed_1nil 2
92 1 2 . . . . . . . . 1 129 CYS HN parsed_1nil 2
93 1 1 . . . . . . . . 1 128 LYS HN parsed_1nil 2
93 1 2 . . . . . . . . 1 129 CYS HN parsed_1nil 2
94 1 1 . . . . . . . . 1 133 GLN HN parsed_1nil 2
94 1 2 . . . . . . . . 1 134 ASP HN parsed_1nil 2
95 1 1 . . . . . . . . 1 141 GLY HN parsed_1nil 2
95 1 2 . . . . . . . . 1 140 LYS HN parsed_1nil 2
96 1 1 . . . . . . . . 1 142 CYS HN parsed_1nil 2
96 1 2 . . . . . . . . 1 140 LYS HN parsed_1nil 2
97 1 1 . . . . . . . . 1 137 PHE HD* parsed_1nil 2
97 1 2 . . . . . . . . 1 137 PHE HA parsed_1nil 2
98 1 1 . . . . . . . . 1 137 PHE HD* parsed_1nil 2
98 1 2 . . . . . . . . 1 138 ILE HA parsed_1nil 2
99 1 1 . . . . . . . . 1 137 PHE HD* parsed_1nil 2
99 1 2 . . . . . . . . 1 139 PRO HDR parsed_1nil 2
100 1 1 . . . . . . . . 1 137 PHE HD* parsed_1nil 2
100 1 2 . . . . . . . . 1 134 ASP HBS parsed_1nil 2
101 1 1 . . . . . . . . 1 137 PHE HD* parsed_1nil 2
101 1 2 . . . . . . . . 1 134 ASP HBR parsed_1nil 2
102 1 1 . . . . . . . . 1 137 PHE HD* parsed_1nil 2
102 1 2 . . . . . . . . 1 139 PRO HBR parsed_1nil 2
103 1 1 . . . . . . . . 1 137 PHE HD* parsed_1nil 2
103 1 2 . . . . . . . . 1 139 PRO HG1 parsed_1nil 2
104 1 1 . . . . . . . . 1 137 PHE HD* parsed_1nil 2
104 1 2 . . . . . . . . 1 139 PRO HG2 parsed_1nil 2
105 1 1 . . . . . . . . 1 137 PHE HD* parsed_1nil 2
105 1 2 . . . . . . . . 1 139 PRO HBS parsed_1nil 2
106 1 1 . . . . . . . . 1 137 PHE HD* parsed_1nil 2
106 1 2 . . . . . . . . 1 138 ILE HG11 parsed_1nil 2
107 1 1 . . . . . . . . 1 137 PHE HD* parsed_1nil 2
107 1 2 . . . . . . . . 1 138 ILE HG2* parsed_1nil 2
108 1 1 . . . . . . . . 1 137 PHE HZ parsed_1nil 2
108 1 2 . . . . . . . . 1 139 PRO HA parsed_1nil 2
109 1 1 . . . . . . . . 1 137 PHE HE* parsed_1nil 2
109 1 2 . . . . . . . . 1 139 PRO HA parsed_1nil 2
110 1 1 . . . . . . . . 1 137 PHE HE* parsed_1nil 2
110 1 2 . . . . . . . . 1 137 PHE HBR parsed_1nil 2
111 1 1 . . . . . . . . 1 137 PHE HE* parsed_1nil 2
111 1 2 . . . . . . . . 1 137 PHE HBS parsed_1nil 2
112 1 1 . . . . . . . . 1 137 PHE HE* parsed_1nil 2
112 1 2 . . . . . . . . 1 134 ASP HBR parsed_1nil 2
113 1 1 . . . . . . . . 1 137 PHE HE* parsed_1nil 2
113 1 2 . . . . . . . . 1 139 PRO HBR parsed_1nil 2
114 1 1 . . . . . . . . 1 137 PHE HE* parsed_1nil 2
114 1 2 . . . . . . . . 1 139 PRO HG1 parsed_1nil 2
115 1 1 . . . . . . . . 1 137 PHE HE* parsed_1nil 2
115 1 2 . . . . . . . . 1 139 PRO HG2 parsed_1nil 2
116 1 1 . . . . . . . . 1 137 PHE HE* parsed_1nil 2
116 1 2 . . . . . . . . 1 139 PRO HBS parsed_1nil 2
117 1 1 . . . . . . . . 1 129 CYS HA parsed_1nil 2
117 1 2 . . . . . . . . 1 129 CYS HBS parsed_1nil 2
118 1 1 . . . . . . . . 1 129 CYS HA parsed_1nil 2
118 1 2 . . . . . . . . 1 142 CYS HBS parsed_1nil 2
119 1 1 . . . . . . . . 1 129 CYS HA parsed_1nil 2
119 1 2 . . . . . . . . 1 129 CYS HBR parsed_1nil 2
120 1 1 . . . . . . . . 1 129 CYS HA parsed_1nil 2
120 1 2 . . . . . . . . 1 130 THR HG2* parsed_1nil 2
121 1 1 . . . . . . . . 1 142 CYS HA parsed_1nil 2
121 1 2 . . . . . . . . 1 142 CYS HBS parsed_1nil 2
122 1 1 . . . . . . . . 1 142 CYS HA parsed_1nil 2
122 1 2 . . . . . . . . 1 142 CYS HBR parsed_1nil 2
123 1 1 . . . . . . . . 1 142 CYS HA parsed_1nil 2
123 1 2 . . . . . . . . 1 138 ILE HD1* parsed_1nil 2
124 1 1 . . . . . . . . 1 137 PHE HA parsed_1nil 2
124 1 2 . . . . . . . . 1 137 PHE HBR parsed_1nil 2
125 1 1 . . . . . . . . 1 137 PHE HA parsed_1nil 2
125 1 2 . . . . . . . . 1 137 PHE HBS parsed_1nil 2
126 1 1 . . . . . . . . 1 137 PHE HA parsed_1nil 2
126 1 2 . . . . . . . . 1 136 GLN HB* parsed_1nil 2
127 1 1 . . . . . . . . 1 134 ASP HA parsed_1nil 2
127 1 2 . . . . . . . . 1 135 GLU HG* parsed_1nil 2
128 1 1 . . . . . . . . 1 134 ASP HA parsed_1nil 2
128 1 2 . . . . . . . . 1 135 GLU HBS parsed_1nil 2
129 1 1 . . . . . . . . 1 134 ASP HA parsed_1nil 2
129 1 2 . . . . . . . . 1 135 GLU HBR parsed_1nil 2
130 1 1 . . . . . . . . 1 143 SER HA parsed_1nil 2
130 1 2 . . . . . . . . 1 142 CYS HBR parsed_1nil 2
131 1 1 . . . . . . . . 1 131 SER HA parsed_1nil 2
131 1 2 . . . . . . . . 1 132 ASP HB* parsed_1nil 2
132 1 1 . . . . . . . . 1 130 THR HA parsed_1nil 2
132 1 2 . . . . . . . . 1 130 THR HB parsed_1nil 2
133 1 1 . . . . . . . . 1 130 THR HA parsed_1nil 2
133 1 2 . . . . . . . . 1 130 THR HG2* parsed_1nil 2
134 1 1 . . . . . . . . 1 138 ILE HA parsed_1nil 2
134 1 2 . . . . . . . . 1 139 PRO HDR parsed_1nil 2
135 1 1 . . . . . . . . 1 138 ILE HA parsed_1nil 2
135 1 2 . . . . . . . . 1 139 PRO HDS parsed_1nil 2
136 1 1 . . . . . . . . 1 138 ILE HA parsed_1nil 2
136 1 2 . . . . . . . . 1 138 ILE HG12 parsed_1nil 2
137 1 1 . . . . . . . . 1 138 ILE HA parsed_1nil 2
137 1 2 . . . . . . . . 1 138 ILE HD1* parsed_1nil 2
138 1 1 . . . . . . . . 1 139 PRO HA parsed_1nil 2
138 1 2 . . . . . . . . 1 139 PRO HBR parsed_1nil 2
139 1 1 . . . . . . . . 1 133 GLN HA parsed_1nil 2
139 1 2 . . . . . . . . 1 133 GLN HG* parsed_1nil 2
140 1 1 . . . . . . . . 1 133 GLN HA parsed_1nil 2
140 1 2 . . . . . . . . 1 133 GLN HBS parsed_1nil 2
141 1 1 . . . . . . . . 1 133 GLN HA parsed_1nil 2
141 1 2 . . . . . . . . 1 133 GLN HBR parsed_1nil 2
142 1 1 . . . . . . . . 1 135 GLU HA parsed_1nil 2
142 1 2 . . . . . . . . 1 135 GLU HG* parsed_1nil 2
143 1 1 . . . . . . . . 1 135 GLU HA parsed_1nil 2
143 1 2 . . . . . . . . 1 135 GLU HBS parsed_1nil 2
144 1 1 . . . . . . . . 1 135 GLU HA parsed_1nil 2
144 1 2 . . . . . . . . 1 135 GLU HBR parsed_1nil 2
145 1 1 . . . . . . . . 1 135 GLU HA parsed_1nil 2
145 1 2 . . . . . . . . 1 138 ILE HG2* parsed_1nil 2
146 1 1 . . . . . . . . 1 140 LYS HA parsed_1nil 2
146 1 2 . . . . . . . . 1 140 LYS HD* parsed_1nil 2
147 1 1 . . . . . . . . 1 136 GLN HA parsed_1nil 2
147 1 2 . . . . . . . . 1 136 GLN HG* parsed_1nil 2
148 1 1 . . . . . . . . 1 144 LYS HA parsed_1nil 2
148 1 2 . . . . . . . . 1 144 LYS HD* parsed_1nil 2
149 1 1 . . . . . . . . 1 144 LYS HA parsed_1nil 2
149 1 2 . . . . . . . . 1 144 LYS HG* parsed_1nil 2
150 1 1 . . . . . . . . 1 139 PRO HA parsed_1nil 2
150 1 2 . . . . . . . . 1 142 CYS HBR parsed_1nil 2
151 1 1 . . . . . . . . 1 139 PRO HDR parsed_1nil 2
151 1 2 . . . . . . . . 1 142 CYS HBR parsed_1nil 2
152 1 1 . . . . . . . . 1 139 PRO HDS parsed_1nil 2
152 1 2 . . . . . . . . 1 142 CYS HBS parsed_1nil 2
153 1 1 . . . . . . . . 1 139 PRO HDS parsed_1nil 2
153 1 2 . . . . . . . . 1 142 CYS HBR parsed_1nil 2
154 1 1 . . . . . . . . 1 139 PRO HDR parsed_1nil 2
154 1 2 . . . . . . . . 1 139 PRO HBR parsed_1nil 2
155 1 1 . . . . . . . . 1 139 PRO HDR parsed_1nil 2
155 1 2 . . . . . . . . 1 139 PRO HBS parsed_1nil 2
156 1 1 . . . . . . . . 1 139 PRO HDR parsed_1nil 2
156 1 2 . . . . . . . . 1 138 ILE HB parsed_1nil 2
157 1 1 . . . . . . . . 1 139 PRO HDR parsed_1nil 2
157 1 2 . . . . . . . . 1 138 ILE HD1* parsed_1nil 2
158 1 1 . . . . . . . . 1 139 PRO HDS parsed_1nil 2
158 1 2 . . . . . . . . 1 139 PRO HBR parsed_1nil 2
159 1 1 . . . . . . . . 1 139 PRO HDS parsed_1nil 2
159 1 2 . . . . . . . . 1 139 PRO HG1 parsed_1nil 2
160 1 1 . . . . . . . . 1 139 PRO HDS parsed_1nil 2
160 1 2 . . . . . . . . 1 139 PRO HBS parsed_1nil 2
161 1 1 . . . . . . . . 1 139 PRO HDS parsed_1nil 2
161 1 2 . . . . . . . . 1 138 ILE HB parsed_1nil 2
162 1 1 . . . . . . . . 1 139 PRO HDS parsed_1nil 2
162 1 2 . . . . . . . . 1 138 ILE HG11 parsed_1nil 2
163 1 1 . . . . . . . . 1 139 PRO HDS parsed_1nil 2
163 1 2 . . . . . . . . 1 138 ILE HG12 parsed_1nil 2
164 1 1 . . . . . . . . 1 139 PRO HDS parsed_1nil 2
164 1 2 . . . . . . . . 1 138 ILE HD1* parsed_1nil 2
165 1 1 . . . . . . . . 1 142 CYS HBS parsed_1nil 2
165 1 2 . . . . . . . . 1 138 ILE HD1* parsed_1nil 2
166 1 1 . . . . . . . . 1 142 CYS HBR parsed_1nil 2
166 1 2 . . . . . . . . 1 138 ILE HB parsed_1nil 2
167 1 1 . . . . . . . . 1 142 CYS HBR parsed_1nil 2
167 1 2 . . . . . . . . 1 138 ILE HD1* parsed_1nil 2
168 1 1 . . . . . . . . 1 134 ASP HBR parsed_1nil 2
168 1 2 . . . . . . . . 1 135 GLU HG* parsed_1nil 2
169 1 1 . . . . . . . . 1 132 ASP HB* parsed_1nil 2
169 1 2 . . . . . . . . 1 133 GLN HBR parsed_1nil 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.700 -1.000 4.700 parsed_1nil 2
2 1 . . . . . 5.000 2.300 5.000 parsed_1nil 2
3 1 . . . . . 5.000 2.300 5.000 parsed_1nil 2
4 1 . . . . . 2.700 -1.000 3.600 parsed_1nil 2
5 1 . . . . . 2.700 -1.000 3.000 parsed_1nil 2
6 1 . . . . . 5.000 2.300 6.000 parsed_1nil 2
7 1 . . . . . 3.300 -1.000 5.500 parsed_1nil 2
8 1 . . . . . 2.700 -1.000 3.800 parsed_1nil 2
9 1 . . . . . 2.700 -1.000 4.000 parsed_1nil 2
10 1 . . . . . 3.300 -1.000 4.000 parsed_1nil 2
11 1 . . . . . 3.300 -1.000 4.800 parsed_1nil 2
12 1 . . . . . 3.300 -1.000 3.300 parsed_1nil 2
13 1 . . . . . 5.000 2.300 5.000 parsed_1nil 2
14 1 . . . . . 3.300 -1.000 4.500 parsed_1nil 2
15 1 . . . . . 2.700 -1.000 3.300 parsed_1nil 2
16 1 . . . . . 2.700 -1.000 3.300 parsed_1nil 2
17 1 . . . . . 2.700 -1.000 2.800 parsed_1nil 2
18 1 . . . . . 2.700 -1.000 2.800 parsed_1nil 2
19 1 . . . . . 5.000 2.300 5.000 parsed_1nil 2
20 1 . . . . . 5.000 2.300 6.000 parsed_1nil 2
21 1 . . . . . 5.000 2.300 5.000 parsed_1nil 2
22 1 . . . . . 5.000 2.300 6.500 parsed_1nil 2
23 1 . . . . . 2.700 -1.000 2.700 parsed_1nil 2
24 1 . . . . . 3.300 -1.000 3.300 parsed_1nil 2
25 1 . . . . . 3.300 -1.000 4.300 parsed_1nil 2
26 1 . . . . . 3.300 -1.000 4.800 parsed_1nil 2
27 1 . . . . . 3.300 -1.000 3.300 parsed_1nil 2
28 1 . . . . . 3.300 -1.000 3.300 parsed_1nil 2
29 1 . . . . . 3.300 -1.000 4.000 parsed_1nil 2
30 1 . . . . . 3.300 -1.000 3.300 parsed_1nil 2
31 1 . . . . . 3.300 -1.000 3.300 parsed_1nil 2
32 1 . . . . . 3.300 -1.000 4.800 parsed_1nil 2
33 1 . . . . . 5.000 -2.300 5.000 parsed_1nil 2
34 1 . . . . . 2.700 2.700 3.300 parsed_1nil 2
35 1 . . . . . 2.700 -1.000 3.700 parsed_1nil 2
36 1 . . . . . 2.700 -1.000 4.500 parsed_1nil 2
37 1 . . . . . 2.700 -1.000 3.300 parsed_1nil 2
38 1 . . . . . 2.700 -1.000 3.500 parsed_1nil 2
39 1 . . . . . 2.700 2.700 3.300 parsed_1nil 2
40 1 . . . . . 2.700 -1.000 2.700 parsed_1nil 2
41 1 . . . . . 2.700 -1.000 2.700 parsed_1nil 2
42 1 . . . . . 2.700 -1.000 3.900 parsed_1nil 2
43 1 . . . . . 2.700 2.700 3.300 parsed_1nil 2
44 1 . . . . . 2.700 -1.000 2.700 parsed_1nil 2
45 1 . . . . . 2.700 -1.000 4.500 parsed_1nil 2
46 1 . . . . . 3.300 -1.000 4.000 parsed_1nil 2
47 1 . . . . . 2.700 -1.000 2.700 parsed_1nil 2
48 1 . . . . . 3.300 -1.000 3.300 parsed_1nil 2
49 1 . . . . . 2.700 -1.000 5.000 parsed_1nil 2
50 1 . . . . . 3.300 -1.000 4.300 parsed_1nil 2
51 1 . . . . . 3.300 -1.000 3.300 parsed_1nil 2
52 1 . . . . . 3.300 -1.000 4.000 parsed_1nil 2
53 1 . . . . . 3.300 -1.000 3.300 parsed_1nil 2
54 1 . . . . . 2.700 -1.000 3.300 parsed_1nil 2
55 1 . . . . . 2.700 -1.000 4.300 parsed_1nil 2
56 1 . . . . . 2.700 -1.000 2.700 parsed_1nil 2
57 1 . . . . . 3.300 -1.000 4.800 parsed_1nil 2
58 1 . . . . . 2.700 -1.000 4.000 parsed_1nil 2
59 1 . . . . . 2.700 -1.000 4.300 parsed_1nil 2
60 1 . . . . . 2.700 -1.000 4.300 parsed_1nil 2
61 1 . . . . . 2.700 2.700 3.300 parsed_1nil 2
62 1 . . . . . 3.300 -1.000 3.300 parsed_1nil 2
63 1 . . . . . 2.700 -1.000 2.700 parsed_1nil 2
64 1 . . . . . 2.700 2.300 3.600 parsed_1nil 2
65 1 . . . . . 2.700 -1.000 2.700 parsed_1nil 2
66 1 . . . . . 2.700 -1.000 3.300 parsed_1nil 2
67 1 . . . . . 2.700 -1.000 2.700 parsed_1nil 2
68 1 . . . . . 3.300 -1.000 5.000 parsed_1nil 2
69 1 . . . . . 2.700 -1.000 2.700 parsed_1nil 2
70 1 . . . . . 2.700 -1.000 3.300 parsed_1nil 2
71 1 . . . . . 2.700 -1.000 2.700 parsed_1nil 2
72 1 . . . . . 2.700 -1.000 4.300 parsed_1nil 2
73 1 . . . . . 3.300 -1.000 4.600 parsed_1nil 2
74 1 . . . . . 5.000 2.300 6.500 parsed_1nil 2
75 1 . . . . . 3.300 -1.000 3.300 parsed_1nil 2
76 1 . . . . . 2.700 -1.000 2.700 parsed_1nil 2
77 1 . . . . . 3.300 -1.000 3.000 parsed_1nil 2
78 1 . . . . . 2.700 -1.000 4.000 parsed_1nil 2
79 1 . . . . . 5.000 2.300 5.000 parsed_1nil 2
80 1 . . . . . 3.300 -1.000 3.300 parsed_1nil 2
81 1 . . . . . 3.300 -1.000 4.300 parsed_1nil 2
82 1 . . . . . 5.000 2.300 6.500 parsed_1nil 2
83 1 . . . . . 2.700 -1.000 2.700 parsed_1nil 2
84 1 . . . . . 3.300 -1.000 5.300 parsed_1nil 2
85 1 . . . . . 3.300 -1.000 7.500 parsed_1nil 2
86 1 . . . . . 3.300 -1.000 2.500 parsed_1nil 2
87 1 . . . . . 3.300 -1.000 3.300 parsed_1nil 2
88 1 . . . . . 4.000 -1.000 4.000 parsed_1nil 2
89 1 . . . . . 5.000 2.300 5.000 parsed_1nil 2
90 1 . . . . . 2.700 -1.000 2.700 parsed_1nil 2
91 1 . . . . . 2.700 -1.000 2.700 parsed_1nil 2
92 1 . . . . . 3.300 -1.000 3.300 parsed_1nil 2
93 1 . . . . . 5.000 2.300 5.000 parsed_1nil 2
94 1 . . . . . 3.300 2.300 5.000 parsed_1nil 2
95 1 . . . . . 3.300 3.300 5.000 parsed_1nil 2
96 1 . . . . . 3.300 -1.000 5.000 parsed_1nil 2
97 1 . . . . . 2.700 -1.000 4.700 parsed_1nil 2
98 1 . . . . . 5.000 2.300 7.000 parsed_1nil 2
99 1 . . . . . 5.000 2.300 7.000 parsed_1nil 2
100 1 . . . . . 5.000 2.300 6.000 parsed_1nil 2
101 1 . . . . . 5.000 2.300 5.000 parsed_1nil 2
102 1 . . . . . 5.000 2.300 7.000 parsed_1nil 2
103 1 . . . . . 5.000 2.300 7.000 parsed_1nil 2
104 1 . . . . . 5.000 2.300 7.500 parsed_1nil 2
105 1 . . . . . 5.000 2.300 7.000 parsed_1nil 2
106 1 . . . . . 5.000 2.300 7.000 parsed_1nil 2
107 1 . . . . . 5.000 2.300 8.500 parsed_1nil 2
108 1 . . . . . 5.000 2.300 5.000 parsed_1nil 2
109 1 . . . . . 5.000 2.300 7.000 parsed_1nil 2
110 1 . . . . . 5.000 2.300 7.000 parsed_1nil 2
111 1 . . . . . 5.000 2.300 7.000 parsed_1nil 2
112 1 . . . . . 5.000 2.300 6.000 parsed_1nil 2
113 1 . . . . . 5.000 2.300 7.000 parsed_1nil 2
114 1 . . . . . 5.000 2.300 7.000 parsed_1nil 2
115 1 . . . . . 5.000 2.300 7.000 parsed_1nil 2
116 1 . . . . . 5.000 2.300 7.000 parsed_1nil 2
117 1 . . . . . 2.700 -1.000 3.300 parsed_1nil 2
118 1 . . . . . 5.000 2.300 5.000 parsed_1nil 2
119 1 . . . . . 2.700 -1.000 2.800 parsed_1nil 2
120 1 . . . . . 5.000 2.300 6.500 parsed_1nil 2
121 1 . . . . . 2.700 -1.000 2.700 parsed_1nil 2
122 1 . . . . . 2.700 -1.000 3.300 parsed_1nil 2
123 1 . . . . . 5.000 2.300 6.500 parsed_1nil 2
124 1 . . . . . 2.700 -1.000 2.700 parsed_1nil 2
125 1 . . . . . 2.700 -1.000 3.300 parsed_1nil 2
126 1 . . . . . 5.000 2.300 6.000 parsed_1nil 2
127 1 . . . . . 5.000 2.300 5.500 parsed_1nil 2
128 1 . . . . . 5.000 2.300 6.000 parsed_1nil 2
129 1 . . . . . 5.000 2.300 5.000 parsed_1nil 2
130 1 . . . . . 5.000 2.300 5.000 parsed_1nil 2
131 1 . . . . . 5.000 2.300 6.000 parsed_1nil 2
132 1 . . . . . 2.700 -1.000 3.300 parsed_1nil 2
133 1 . . . . . 2.700 -1.000 4.200 parsed_1nil 2
134 1 . . . . . 2.700 -1.000 2.700 parsed_1nil 2
135 1 . . . . . 2.700 -1.000 2.700 parsed_1nil 2
136 1 . . . . . 2.700 -1.000 4.500 parsed_1nil 2
137 1 . . . . . 2.700 -1.000 4.800 parsed_1nil 2
138 1 . . . . . 2.700 -1.000 3.300 parsed_1nil 2
139 1 . . . . . 2.700 -1.000 4.300 parsed_1nil 2
140 1 . . . . . 2.700 -1.000 3.300 parsed_1nil 2
141 1 . . . . . 2.700 -1.000 2.700 parsed_1nil 2
142 1 . . . . . 2.700 -1.000 4.300 parsed_1nil 2
143 1 . . . . . 2.700 -1.000 2.700 parsed_1nil 2
144 1 . . . . . 2.700 -1.000 3.300 parsed_1nil 2
145 1 . . . . . 3.300 -1.000 5.000 parsed_1nil 2
146 1 . . . . . 5.000 2.300 6.000 parsed_1nil 2
147 1 . . . . . 2.700 -1.000 4.300 parsed_1nil 2
148 1 . . . . . 3.300 -1.000 4.300 parsed_1nil 2
149 1 . . . . . 3.300 -1.000 4.300 parsed_1nil 2
150 1 . . . . . 5.000 2.300 6.000 parsed_1nil 2
151 1 . . . . . 5.000 2.300 6.000 parsed_1nil 2
152 1 . . . . . 5.000 2.300 6.000 parsed_1nil 2
153 1 . . . . . 5.000 2.300 6.000 parsed_1nil 2
154 1 . . . . . 3.300 -1.000 4.300 parsed_1nil 2
155 1 . . . . . 2.700 -1.000 3.300 parsed_1nil 2
156 1 . . . . . 3.300 -1.000 4.000 parsed_1nil 2
157 1 . . . . . 3.300 -1.000 6.000 parsed_1nil 2
158 1 . . . . . 3.300 -1.000 4.300 parsed_1nil 2
159 1 . . . . . 2.700 -1.000 2.700 parsed_1nil 2
160 1 . . . . . 2.700 -1.000 4.000 parsed_1nil 2
161 1 . . . . . 2.700 -1.000 2.700 parsed_1nil 2
162 1 . . . . . 5.000 2.300 5.000 parsed_1nil 2
163 1 . . . . . 5.000 2.300 5.000 parsed_1nil 2
164 1 . . . . . 2.700 -1.000 5.000 parsed_1nil 2
165 1 . . . . . 3.300 -1.000 5.000 parsed_1nil 2
166 1 . . . . . 5.000 -1.000 4.000 parsed_1nil 2
167 1 . . . . . 5.000 -1.000 4.000 parsed_1nil 2
168 1 . . . . . 5.000 2.300 7.000 parsed_1nil 2
169 1 . . . . . 5.000 2.300 6.000 parsed_1nil 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 NOE_distance 1 1 1 13 parsed_1nil 2
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1nil
_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_
_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 "phi-angle restraints" 2 1 2 22 parsed_1nil 1
2 "psi-angle restraints" 6 1 6 22 parsed_1nil 1
3 "omega-angle restraints" 12 1 12 24 parsed_1nil 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1
;
#NMR_dihedral
!phi-angle restraints
1:CYS_129:C 1:THR_130:N 1:THR_130:CA 1:THR_130:C -135.000 -75.000 30.00 30.00 1000.000
1:PRO_139:C 1:LYS_140:N 1:LYS_140:CA 1:LYS_140:C -100.000 -40.000 30.00 30.00 1000.000
1:GLY_141:C 1:CYS_142:N 1:CYS_142:CA 1:CYS_142:C -120.000 -60.000 30.00 30.00 1000.000
!psi-angle restraints
1:CYS_129:N 1:CYS_129:CA 1:CYS_129:C 1:THR_130:N -130.000 -50.000 30.00 30.00 1000.000
1:GLN_133:N 1:GLN_133:CA 1:GLN_133:C 1:ASP_134:N 25.000 115.000 30.00 30.00 1000.000
1:GLU_135:N 1:GLU_135:CA 1:GLU_135:C 1:GLN_136:N -55.000 25.000 30.00 30.00 1000.000
1:PRO_139:N 1:PRO_139:CA 1:PRO_139:C 1:LYS_140:N 75.000 155.000 30.00 30.00 1000.000
1:CYS_142:N 1:CYS_142:CA 1:CYS_142:C 1:SER_143:N -130.000 -50.000 30.00 30.00 1000.000
!omega-angle restraints
1:LYS_128:CA 1:LYS_128:C 1:CYS_129:N 1:CYS_129:CA 179.000 -179.000 100.00 100.00 1000.000
1:CYS_129:CA 1:CYS_129:C 1:THR_130:N 1:THR_130:CA 179.000 -179.000 100.00 100.00 1000.000
1:THR_130:CA 1:THR_130:C 1:SER_131:N 1:SER_131:CA 179.000 -179.000 100.00 100.00 1000.000
1:SER_131:CA 1:SER_131:C 1:ASP_132:N 1:ASP_132:CA 179.000 -179.000 100.00 100.00 1000.000
1:ASP_132:CA 1:ASP_132:C 1:GLN_133:N 1:GLN_133:CA 179.000 -179.000 100.00 100.00 1000.000
1:GLN_133:CA 1:GLN_133:C 1:ASP_134:N 1:ASP_134:CA 179.000 -179.000 100.00 100.00 1000.000
1:ASP_134:CA 1:ASP_134:C 1:GLU_135:N 1:GLU_135:CA 179.000 -179.000 100.00 100.00 1000.000
1:GLU_135:CA 1:GLU_135:C 1:GLN_136:N 1:GLN_136:CA 179.000 -179.000 100.00 100.00 1000.000
1:GLN_136:CA 1:GLN_136:C 1:PHE_137:N 1:PHE_137:CA 179.000 -179.000 100.00 100.00 1000.000
1:PHE_137:CA 1:PHE_137:C 1:ILE_138:N 1:ILE_138:CA 179.000 -179.000 100.00 100.00 1000.000
1:ILE_138:CA 1:ILE_138:C 1:PRO_139:N 1:PRO_139:CA 179.000 -179.000 100.00 100.00 1000.000
1:PRO_139:CA 1:PRO_139:C 1:LYS_140:N 1:LYS_140:CA 179.000 -179.000 100.00 100.00 1000.000
1:LYS_140:CA 1:LYS_140:C 1:GLY_141:N 1:GLY_141:CA 179.000 -179.000 100.00 100.00 1000.000
1:GLY_141:CA 1:GLY_141:C 1:CYS_142:N 1:CYS_142:CA 179.000 -179.000 100.00 100.00 1000.000
1:CYS_142:CA 1:CYS_142:C 1:SER_143:N 1:SER_143:CA 179.000 -179.000 100.00 100.00 1000.000
1:SER_143:CA 1:SER_143:C 1:LYS_144:N 1:LYS_144:CA 179.000 -179.000 100.00 100.00 1000.000
;
1 1 28 115 parsed_1nil 1
stop_
save_
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