NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | item_count |
|
|
35525 |
1lsi   |
4159 | cing | recoord | 2-parsed | STAR | entry | full | 543 |
data_1lsi_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1lsi
_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_1lsi 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1lsi
_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 1lsi "Master copy" parsed_1lsi
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1lsi
_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 1lsi.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1lsi 1
1 1lsi.mr . . XPLOR/CNS 2 distance NOE simple 133 parsed_1lsi 1
1 1lsi.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1lsi 1
1 1lsi.mr . . XPLOR/CNS 4 distance NOE simple 210 parsed_1lsi 1
1 1lsi.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1lsi 1
1 1lsi.mr . . XPLOR/CNS 6 distance NOE simple 135 parsed_1lsi 1
1 1lsi.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1lsi 1
1 1lsi.mr . . XPLOR/CNS 8 distance "hydrogen bond" simple 20 parsed_1lsi 1
1 1lsi.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 parsed_1lsi 1
1 1lsi.mr . . XPLOR/CNS 10 "dihedral angle" "Not applicable" "Not applicable" 45 parsed_1lsi 1
1 1lsi.mr . . n/a 11 comment "Not applicable" "Not applicable" 0 parsed_1lsi 1
1 1lsi.mr . . XPLOR/CNS 12 "coupling constant" "Not applicable" "Not applicable" 0 parsed_1lsi 1
1 1lsi.mr . . n/a 13 comment "Not applicable" "Not applicable" 0 parsed_1lsi 1
1 1lsi.mr . . "MR format" 14 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1lsi 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_1lsi
_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 26-NOV-95 1LSI
*TITLE LSIII (NMR, 23 STRUCTURES)
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: LSIII;
*COMPND 3 CHAIN: NULL;
*COMPND 4 SYNONYM: LONG NEUROTOXIN 1 (COMPONENT LSIII)
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: LATICAUDA SEMIFASCIATA;
*SOURCE 3 ORGANISM_COMMON: SEA SNAKE
*KEYWDS VENOM, MULTIGENE FAMILY
*EXPDTA NMR, 23 STRUCTURES
*AUTHOR P.J.CONNOLLY,A.S.STERN,J.C.HOCH
*REVDAT 1 15-MAR-96 1LSI 0
REMARK REFERENCE
REMARK CONNOLLY,P.C.,STERN,A.S.,HOCH,J.C (1995) SOLUTION STRUCTURE OF LSIII,
REMARK A LONG NEUROTOXIN FROM THE VENOM OF LATICAUDA SEMIFAASCIATA.
REMARK BIOCHEMISTRY SUBMITTED
REMARK
REMARK DETAILS OF THE STRUCTURE DETERMINATION ARE GIVEN IN THE ABOVE REFERENCE.
REMARK
REMARK THE STRUCTURES ARE BASED ON 497 DISTANCE CONSTRAINTS DERIVED FROM NOE
REMARK MEASUREMENTS AND 45 ANGLE CONSTRAINTS DERIVED FROM NOE AND COUPLING
REMARK CONSTANT MEASUREMENTS.
REMARK STRUCTURES WERE DETERMINED USING A DYNAMICAL SIMULATED ANNEALING
REMARK METHOD SIMILIAR TO NILGES ET AL. (NILGES,M.,CLORE,G.M.,GRONENBORN
REMARK A.M. (1988) FEBS LETT. 229, 317-324) WITH STARTING STRUCTURES GENERATED
REMARK BY DYNAMICAL SIMULATED ANNEALING OF A REDUCED REPRESENTATION OF
REMARK PROTEIN STRUCTURE. (HOCH,J.C.,STERN,A.S. (1992) J.BIOMOL.NMR 2,
REMARK 535-543)
REMARK
REMARK NOE RESTRAINTS
REMARK
REMARK UPPER BOUNDS FOR INTERPROTON DISTANCES WERE DERIVED FROM NOE CROSSPEAK
REMARK VOLUMES USING THE PROGRAM CALIBA (GUNTERT,P.,BRAUN,W.,WUTRICH,K. (1991)
REMARK J.MOL.BIOL. 317, 517-530). 0.5 ANGSTROMS WAS ADDED TO THE UPPER
REMARK DISTANCE BOUNDS OF METHYL GROUPS. UPPER LIMITS FOR PHE,TYR,METHYL
REMARK AND METHYLENE PROTONS WERE ADJUSTED TO ACCOUNT FOR CENTER AVERAGING
REMARK AS DESCRIBED IN THE LITERATURE (WUTRICH,K.,BILLETER,M.,BRAUN,W. (1983)
REMARK J.MOL.BIOL. 169, 949-961).
REMARK
REMARK THE UPPER AND LOWER LIMITS FOR THE INTERPROTON RESTRAINTS ARE GIVEN BY
REMARK UPPER=I+K AND LOWER=I-J WHERE THE NUMBERS ARE IN THE ORDER I,J,K.
classification STRG
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1lsi
_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_1lsi 1
2 1 . . . parsed_1lsi 1
3 1 . . . parsed_1lsi 1
4 1 . . . parsed_1lsi 1
5 1 . . . parsed_1lsi 1
6 1 . . . parsed_1lsi 1
7 1 . . . parsed_1lsi 1
8 1 . . . parsed_1lsi 1
9 1 . . . parsed_1lsi 1
10 1 . . . parsed_1lsi 1
11 1 . . . parsed_1lsi 1
12 1 . . . parsed_1lsi 1
13 1 . . . parsed_1lsi 1
14 1 . . . parsed_1lsi 1
15 1 . . . parsed_1lsi 1
16 1 . . . parsed_1lsi 1
17 1 . . . parsed_1lsi 1
18 1 . . . parsed_1lsi 1
19 1 . . . parsed_1lsi 1
20 1 . . . parsed_1lsi 1
21 1 . . . parsed_1lsi 1
22 1 . . . parsed_1lsi 1
23 1 . . . parsed_1lsi 1
24 1 . . . parsed_1lsi 1
25 1 . . . parsed_1lsi 1
26 1 . . . parsed_1lsi 1
27 1 . . . parsed_1lsi 1
28 1 . . . parsed_1lsi 1
29 1 . . . parsed_1lsi 1
30 1 . . . parsed_1lsi 1
31 1 . . . parsed_1lsi 1
32 1 . . . parsed_1lsi 1
33 1 . . . parsed_1lsi 1
34 1 . . . parsed_1lsi 1
35 1 . . . parsed_1lsi 1
36 1 . . . parsed_1lsi 1
37 1 . . . parsed_1lsi 1
38 1 . . . parsed_1lsi 1
39 1 . . . parsed_1lsi 1
40 1 . . . parsed_1lsi 1
41 1 . . . parsed_1lsi 1
42 1 . . . parsed_1lsi 1
43 1 . . . parsed_1lsi 1
44 1 . . . parsed_1lsi 1
45 1 . . . parsed_1lsi 1
46 1 . . . parsed_1lsi 1
47 1 . . . parsed_1lsi 1
48 1 . . . parsed_1lsi 1
49 1 . . . parsed_1lsi 1
50 1 . . . parsed_1lsi 1
51 1 . . . parsed_1lsi 1
52 1 . . . parsed_1lsi 1
53 1 . . . parsed_1lsi 1
54 1 . . . parsed_1lsi 1
55 1 . . . parsed_1lsi 1
56 1 . . . parsed_1lsi 1
57 1 . . . parsed_1lsi 1
58 1 . . . parsed_1lsi 1
59 1 . . . parsed_1lsi 1
60 1 . . . parsed_1lsi 1
61 1 . . . parsed_1lsi 1
62 1 . . . parsed_1lsi 1
63 1 . . . parsed_1lsi 1
64 1 . . . parsed_1lsi 1
65 1 . . . parsed_1lsi 1
66 1 . . . parsed_1lsi 1
67 1 . . . parsed_1lsi 1
68 1 . . . parsed_1lsi 1
69 1 . . . parsed_1lsi 1
70 1 . . . parsed_1lsi 1
71 1 . . . parsed_1lsi 1
72 1 . . . parsed_1lsi 1
73 1 . . . parsed_1lsi 1
74 1 . . . parsed_1lsi 1
75 1 . . . parsed_1lsi 1
76 1 . . . parsed_1lsi 1
77 1 . . . parsed_1lsi 1
78 1 . . . parsed_1lsi 1
79 1 . . . parsed_1lsi 1
80 1 . . . parsed_1lsi 1
81 1 . . . parsed_1lsi 1
82 1 . . . parsed_1lsi 1
83 1 . . . parsed_1lsi 1
84 1 . . . parsed_1lsi 1
85 1 . . . parsed_1lsi 1
86 1 . . . parsed_1lsi 1
87 1 . . . parsed_1lsi 1
88 1 . . . parsed_1lsi 1
89 1 . . . parsed_1lsi 1
90 1 . . . parsed_1lsi 1
91 1 . . . parsed_1lsi 1
92 1 . . . parsed_1lsi 1
93 1 . . . parsed_1lsi 1
94 1 . . . parsed_1lsi 1
95 1 . . . parsed_1lsi 1
96 1 . . . parsed_1lsi 1
97 1 . . . parsed_1lsi 1
98 1 . . . parsed_1lsi 1
99 1 . . . parsed_1lsi 1
100 1 . . . parsed_1lsi 1
101 1 . . . parsed_1lsi 1
102 1 . . . parsed_1lsi 1
103 1 . . . parsed_1lsi 1
104 1 . . . parsed_1lsi 1
105 1 . . . parsed_1lsi 1
106 1 . . . parsed_1lsi 1
107 1 . . . parsed_1lsi 1
108 1 . . . parsed_1lsi 1
109 1 . . . parsed_1lsi 1
110 1 . . . parsed_1lsi 1
111 1 . . . parsed_1lsi 1
112 1 . . . parsed_1lsi 1
113 1 . . . parsed_1lsi 1
114 1 . . . parsed_1lsi 1
115 1 . . . parsed_1lsi 1
116 1 . . . parsed_1lsi 1
117 1 . . . parsed_1lsi 1
118 1 . . . parsed_1lsi 1
119 1 . . . parsed_1lsi 1
120 1 . . . parsed_1lsi 1
121 1 . . . parsed_1lsi 1
122 1 . . . parsed_1lsi 1
123 1 . . . parsed_1lsi 1
124 1 . . . parsed_1lsi 1
125 1 . . . parsed_1lsi 1
126 1 . . . parsed_1lsi 1
127 1 . . . parsed_1lsi 1
128 1 . . . parsed_1lsi 1
129 1 . . . parsed_1lsi 1
130 1 . . . parsed_1lsi 1
131 1 . . . parsed_1lsi 1
132 1 . . . parsed_1lsi 1
133 1 . . . parsed_1lsi 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 . HT+ parsed_1lsi 1
1 1 2 . . . . . . . . . 1 . HA parsed_1lsi 1
2 1 1 . . . . . . . . . 1 . HT+ parsed_1lsi 1
2 1 2 . . . . . . . . . 14 . HA parsed_1lsi 1
3 1 1 . . . . . . . . . 1 . HA parsed_1lsi 1
3 1 2 . . . . . . . . . 2 . HN parsed_1lsi 1
4 1 1 . . . . . . . . . 1 . HA parsed_1lsi 1
4 1 2 . . . . . . . . . 13 . HN parsed_1lsi 1
5 1 1 . . . . . . . . . 2 . HA parsed_1lsi 1
5 1 2 . . . . . . . . . 3 . HN parsed_1lsi 1
6 1 1 . . . . . . . . . 2 . HB+ parsed_1lsi 1
6 1 2 . . . . . . . . . 3 . HN parsed_1lsi 1
7 1 1 . . . . . . . . . 3 . HN parsed_1lsi 1
7 1 2 . . . . . . . . . 3 . HB1 parsed_1lsi 1
8 1 1 . . . . . . . . . 3 . HN parsed_1lsi 1
8 1 2 . . . . . . . . . 3 . HB2 parsed_1lsi 1
9 1 1 . . . . . . . . . 3 . HA parsed_1lsi 1
9 1 2 . . . . . . . . . 4 . HN parsed_1lsi 1
10 1 1 . . . . . . . . . 3 . HB2 parsed_1lsi 1
10 1 2 . . . . . . . . . 4 . HN parsed_1lsi 1
11 1 1 . . . . . . . . . 3 . HB1 parsed_1lsi 1
11 1 2 . . . . . . . . . 12 . HB parsed_1lsi 1
12 1 1 . . . . . . . . . 4 . HN parsed_1lsi 1
12 1 2 . . . . . . . . . 4 . HA parsed_1lsi 1
13 1 1 . . . . . . . . . 5 . HN parsed_1lsi 1
13 1 2 . . . . . . . . . 5 . HA parsed_1lsi 1
14 1 1 . . . . . . . . . 5 . HA parsed_1lsi 1
14 1 2 . . . . . . . . . 5 . HB1 parsed_1lsi 1
15 1 1 . . . . . . . . . 5 . HA parsed_1lsi 1
15 1 2 . . . . . . . . . 5 . HG parsed_1lsi 1
16 1 1 . . . . . . . . . 5 . HG parsed_1lsi 1
16 1 2 . . . . . . . . . 5 . HD2+ parsed_1lsi 1
17 1 1 . . . . . . . . . 6 . HN parsed_1lsi 1
17 1 2 . . . . . . . . . 6 . HA parsed_1lsi 1
18 1 1 . . . . . . . . . 8 . HA parsed_1lsi 1
18 1 2 . . . . . . . . . 9 . HN parsed_1lsi 1
19 1 1 . . . . . . . . . 8 . HE1 parsed_1lsi 1
19 1 2 . . . . . . . . . 37 . HA parsed_1lsi 1
20 1 1 . . . . . . . . . 8 . HE1 parsed_1lsi 1
20 1 2 . . . . . . . . . 37 . HB2 parsed_1lsi 1
21 1 1 . . . . . . . . . 10 . HN parsed_1lsi 1
21 1 2 . . . . . . . . . 10 . HA parsed_1lsi 1
22 1 1 . . . . . . . . . 10 . HA parsed_1lsi 1
22 1 2 . . . . . . . . . 11 . HN parsed_1lsi 1
23 1 1 . . . . . . . . . 10 . HA parsed_1lsi 1
23 1 2 . . . . . . . . . 39 . HN parsed_1lsi 1
24 1 1 . . . . . . . . . 10 . HB parsed_1lsi 1
24 1 2 . . . . . . . . . 10 . HG2+ parsed_1lsi 1
25 1 1 . . . . . . . . . 10 . HB parsed_1lsi 1
25 1 2 . . . . . . . . . 11 . HN parsed_1lsi 1
26 1 1 . . . . . . . . . 11 . HN parsed_1lsi 1
26 1 2 . . . . . . . . . 11 . HA parsed_1lsi 1
27 1 1 . . . . . . . . . 12 . HN parsed_1lsi 1
27 1 2 . . . . . . . . . 12 . HA parsed_1lsi 1
28 1 1 . . . . . . . . . 12 . HA parsed_1lsi 1
28 1 2 . . . . . . . . . 12 . HG2+ parsed_1lsi 1
29 1 1 . . . . . . . . . 12 . HA parsed_1lsi 1
29 1 2 . . . . . . . . . 13 . HN parsed_1lsi 1
30 1 1 . . . . . . . . . 12 . HB parsed_1lsi 1
30 1 2 . . . . . . . . . 13 . HN parsed_1lsi 1
31 1 1 . . . . . . . . . 13 . HN parsed_1lsi 1
31 1 2 . . . . . . . . . 13 . HB2 parsed_1lsi 1
32 1 1 . . . . . . . . . 15 . HA parsed_1lsi 1
32 1 2 . . . . . . . . . 16 . HN parsed_1lsi 1
33 1 1 . . . . . . . . . 19 . HN parsed_1lsi 1
33 1 2 . . . . . . . . . 19 . HB parsed_1lsi 1
34 1 1 . . . . . . . . . 19 . HN parsed_1lsi 1
34 1 2 . . . . . . . . . 42 . HN parsed_1lsi 1
35 1 1 . . . . . . . . . 19 . HA parsed_1lsi 1
35 1 2 . . . . . . . . . 19 . HG2+ parsed_1lsi 1
36 1 1 . . . . . . . . . 19 . HA parsed_1lsi 1
36 1 2 . . . . . . . . . 20 . HN parsed_1lsi 1
37 1 1 . . . . . . . . . 19 . HG2+ parsed_1lsi 1
37 1 2 . . . . . . . . . 44 . HA parsed_1lsi 1
38 1 1 . . . . . . . . . 19 . HG2+ parsed_1lsi 1
38 1 2 . . . . . . . . . 20 . HN parsed_1lsi 1
39 1 1 . . . . . . . . . 20 . HN parsed_1lsi 1
39 1 2 . . . . . . . . . 58 . HA parsed_1lsi 1
40 1 1 . . . . . . . . . 20 . HA parsed_1lsi 1
40 1 2 . . . . . . . . . 21 . HN parsed_1lsi 1
41 1 1 . . . . . . . . . 21 . HA parsed_1lsi 1
41 1 2 . . . . . . . . . 22 . HN parsed_1lsi 1
42 1 1 . . . . . . . . . 22 . HA parsed_1lsi 1
42 1 2 . . . . . . . . . 22 . HB parsed_1lsi 1
43 1 1 . . . . . . . . . 22 . HA parsed_1lsi 1
43 1 2 . . . . . . . . . 23 . HN parsed_1lsi 1
44 1 1 . . . . . . . . . 22 . HB parsed_1lsi 1
44 1 2 . . . . . . . . . 22 . HG1+ parsed_1lsi 1
45 1 1 . . . . . . . . . 22 . HB parsed_1lsi 1
45 1 2 . . . . . . . . . 22 . HG2+ parsed_1lsi 1
46 1 1 . . . . . . . . . 23 . HN parsed_1lsi 1
46 1 2 . . . . . . . . . 39 . HA parsed_1lsi 1
47 1 1 . . . . . . . . . 23 . HA parsed_1lsi 1
47 1 2 . . . . . . . . . 24 . HN parsed_1lsi 1
48 1 1 . . . . . . . . . 23 . HA parsed_1lsi 1
48 1 2 . . . . . . . . . 54 . HA parsed_1lsi 1
49 1 1 . . . . . . . . . 24 . HN parsed_1lsi 1
49 1 2 . . . . . . . . . 53 . HN parsed_1lsi 1
50 1 1 . . . . . . . . . 24 . HA parsed_1lsi 1
50 1 2 . . . . . . . . . 25 . HN parsed_1lsi 1
51 1 1 . . . . . . . . . 24 . HA parsed_1lsi 1
51 1 2 . . . . . . . . . 37 . HA parsed_1lsi 1
52 1 1 . . . . . . . . . 25 . HN parsed_1lsi 1
52 1 2 . . . . . . . . . 36 . HN parsed_1lsi 1
53 1 1 . . . . . . . . . 25 . HA parsed_1lsi 1
53 1 2 . . . . . . . . . 26 . HN parsed_1lsi 1
54 1 1 . . . . . . . . . 25 . HE1 parsed_1lsi 1
54 1 2 . . . . . . . . . 25 . HD1 parsed_1lsi 1
55 1 1 . . . . . . . . . 25 . HE3 parsed_1lsi 1
55 1 2 . . . . . . . . . 25 . HZ3 parsed_1lsi 1
56 1 1 . . . . . . . . . 26 . HA parsed_1lsi 1
56 1 2 . . . . . . . . . 27 . HN parsed_1lsi 1
57 1 1 . . . . . . . . . 27 . HN parsed_1lsi 1
57 1 2 . . . . . . . . . 27 . HA parsed_1lsi 1
58 1 1 . . . . . . . . . 28 . HN parsed_1lsi 1
58 1 2 . . . . . . . . . 29 . HN parsed_1lsi 1
59 1 1 . . . . . . . . . 28 . HA parsed_1lsi 1
59 1 2 . . . . . . . . . 28 . HB+ parsed_1lsi 1
60 1 1 . . . . . . . . . 28 . HA parsed_1lsi 1
60 1 2 . . . . . . . . . 29 . HN parsed_1lsi 1
61 1 1 . . . . . . . . . 29 . HN parsed_1lsi 1
61 1 2 . . . . . . . . . 29 . HA parsed_1lsi 1
62 1 1 . . . . . . . . . 29 . HN parsed_1lsi 1
62 1 2 . . . . . . . . . 30 . HN parsed_1lsi 1
63 1 1 . . . . . . . . . 29 . HA parsed_1lsi 1
63 1 2 . . . . . . . . . 29 . HB1 parsed_1lsi 1
64 1 1 . . . . . . . . . 29 . HA parsed_1lsi 1
64 1 2 . . . . . . . . . 29 . HB2 parsed_1lsi 1
65 1 1 . . . . . . . . . 29 . HE1 parsed_1lsi 1
65 1 2 . . . . . . . . . 29 . HD1 parsed_1lsi 1
66 1 1 . . . . . . . . . 29 . HE3 parsed_1lsi 1
66 1 2 . . . . . . . . . 29 . HZ3 parsed_1lsi 1
67 1 1 . . . . . . . . . 31 . HN parsed_1lsi 1
67 1 2 . . . . . . . . . 31 . HA parsed_1lsi 1
68 1 1 . . . . . . . . . 31 . HA parsed_1lsi 1
68 1 2 . . . . . . . . . 32 . HN parsed_1lsi 1
69 1 1 . . . . . . . . . 32 . HA parsed_1lsi 1
69 1 2 . . . . . . . . . 33 . HN parsed_1lsi 1
70 1 1 . . . . . . . . . 35 . HN parsed_1lsi 1
70 1 2 . . . . . . . . . 35 . HA parsed_1lsi 1
71 1 1 . . . . . . . . . 35 . HA parsed_1lsi 1
71 1 2 . . . . . . . . . 36 . HN parsed_1lsi 1
72 1 1 . . . . . . . . . 36 . HN parsed_1lsi 1
72 1 2 . . . . . . . . . 36 . HB parsed_1lsi 1
73 1 1 . . . . . . . . . 36 . HA parsed_1lsi 1
73 1 2 . . . . . . . . . 37 . HN parsed_1lsi 1
74 1 1 . . . . . . . . . 37 . HA parsed_1lsi 1
74 1 2 . . . . . . . . . 37 . HG parsed_1lsi 1
75 1 1 . . . . . . . . . 38 . HA parsed_1lsi 1
75 1 2 . . . . . . . . . 39 . HN parsed_1lsi 1
76 1 1 . . . . . . . . . 39 . HN parsed_1lsi 1
76 1 2 . . . . . . . . . 39 . HA parsed_1lsi 1
77 1 1 . . . . . . . . . 39 . HA parsed_1lsi 1
77 1 2 . . . . . . . . . 40 . HN parsed_1lsi 1
78 1 1 . . . . . . . . . 41 . HN parsed_1lsi 1
78 1 2 . . . . . . . . . 41 . HB2 parsed_1lsi 1
79 1 1 . . . . . . . . . 41 . HA parsed_1lsi 1
79 1 2 . . . . . . . . . 42 . HN parsed_1lsi 1
80 1 1 . . . . . . . . . 41 . HB1 parsed_1lsi 1
80 1 2 . . . . . . . . . 42 . HN parsed_1lsi 1
81 1 1 . . . . . . . . . 42 . HN parsed_1lsi 1
81 1 2 . . . . . . . . . 42 . HA parsed_1lsi 1
82 1 1 . . . . . . . . . 42 . HA parsed_1lsi 1
82 1 2 . . . . . . . . . 42 . HB+ parsed_1lsi 1
83 1 1 . . . . . . . . . 42 . HA parsed_1lsi 1
83 1 2 . . . . . . . . . 43 . HN parsed_1lsi 1
84 1 1 . . . . . . . . . 43 . HN parsed_1lsi 1
84 1 2 . . . . . . . . . 43 . HA parsed_1lsi 1
85 1 1 . . . . . . . . . 43 . HN parsed_1lsi 1
85 1 2 . . . . . . . . . 43 . HB+ parsed_1lsi 1
86 1 1 . . . . . . . . . 43 . HN parsed_1lsi 1
86 1 2 . . . . . . . . . 44 . HN parsed_1lsi 1
87 1 1 . . . . . . . . . 44 . HN parsed_1lsi 1
87 1 2 . . . . . . . . . 44 . HA parsed_1lsi 1
88 1 1 . . . . . . . . . 44 . HA parsed_1lsi 1
88 1 2 . . . . . . . . . 45 . HN parsed_1lsi 1
89 1 1 . . . . . . . . . 45 . HN parsed_1lsi 1
89 1 2 . . . . . . . . . 45 . HA parsed_1lsi 1
90 1 1 . . . . . . . . . 45 . HN parsed_1lsi 1
90 1 2 . . . . . . . . . 45 . HB1 parsed_1lsi 1
91 1 1 . . . . . . . . . 45 . HN parsed_1lsi 1
91 1 2 . . . . . . . . . 45 . HB2 parsed_1lsi 1
92 1 1 . . . . . . . . . 45 . HA parsed_1lsi 1
92 1 2 . . . . . . . . . 45 . HB1 parsed_1lsi 1
93 1 1 . . . . . . . . . 46 . HA parsed_1lsi 1
93 1 2 . . . . . . . . . 46 . HB1 parsed_1lsi 1
94 1 1 . . . . . . . . . 47 . HN parsed_1lsi 1
94 1 2 . . . . . . . . . 47 . HA parsed_1lsi 1
95 1 1 . . . . . . . . . 48 . HN parsed_1lsi 1
95 1 2 . . . . . . . . . 48 . HB parsed_1lsi 1
96 1 1 . . . . . . . . . 48 . HA parsed_1lsi 1
96 1 2 . . . . . . . . . 48 . HB parsed_1lsi 1
97 1 1 . . . . . . . . . 48 . HA parsed_1lsi 1
97 1 2 . . . . . . . . . 49 . HN parsed_1lsi 1
98 1 1 . . . . . . . . . 49 . HN parsed_1lsi 1
98 1 2 . . . . . . . . . 49 . HA parsed_1lsi 1
99 1 1 . . . . . . . . . 49 . HN parsed_1lsi 1
99 1 2 . . . . . . . . . 49 . HB1 parsed_1lsi 1
100 1 1 . . . . . . . . . 49 . HN parsed_1lsi 1
100 1 2 . . . . . . . . . 49 . HB2 parsed_1lsi 1
101 1 1 . . . . . . . . . 49 . HA parsed_1lsi 1
101 1 2 . . . . . . . . . 49 . HB2 parsed_1lsi 1
102 1 1 . . . . . . . . . 50 . HN parsed_1lsi 1
102 1 2 . . . . . . . . . 50 . HB parsed_1lsi 1
103 1 1 . . . . . . . . . 50 . HB parsed_1lsi 1
103 1 2 . . . . . . . . . 50 . HG2+ parsed_1lsi 1
104 1 1 . . . . . . . . . 51 . HN parsed_1lsi 1
104 1 2 . . . . . . . . . 52 . HN parsed_1lsi 1
105 1 1 . . . . . . . . . 52 . HN parsed_1lsi 1
105 1 2 . . . . . . . . . 52 . HB parsed_1lsi 1
106 1 1 . . . . . . . . . 52 . HA parsed_1lsi 1
106 1 2 . . . . . . . . . 53 . HN parsed_1lsi 1
107 1 1 . . . . . . . . . 53 . HN parsed_1lsi 1
107 1 2 . . . . . . . . . 53 . HA parsed_1lsi 1
108 1 1 . . . . . . . . . 53 . HA parsed_1lsi 1
108 1 2 . . . . . . . . . 54 . HN parsed_1lsi 1
109 1 1 . . . . . . . . . 54 . HA parsed_1lsi 1
109 1 2 . . . . . . . . . 55 . HN parsed_1lsi 1
110 1 1 . . . . . . . . . 54 . HB parsed_1lsi 1
110 1 2 . . . . . . . . . 54 . HG2+ parsed_1lsi 1
111 1 1 . . . . . . . . . 56 . HN parsed_1lsi 1
111 1 2 . . . . . . . . . 56 . HA parsed_1lsi 1
112 1 1 . . . . . . . . . 57 . HN parsed_1lsi 1
112 1 2 . . . . . . . . . 57 . HA parsed_1lsi 1
113 1 1 . . . . . . . . . 57 . HA parsed_1lsi 1
113 1 2 . . . . . . . . . 58 . HN parsed_1lsi 1
114 1 1 . . . . . . . . . 58 . HA parsed_1lsi 1
114 1 2 . . . . . . . . . 59 . HN parsed_1lsi 1
115 1 1 . . . . . . . . . 59 . HA parsed_1lsi 1
115 1 2 . . . . . . . . . 59 . HB+ parsed_1lsi 1
116 1 1 . . . . . . . . . 60 . HN parsed_1lsi 1
116 1 2 . . . . . . . . . 60 . HB1 parsed_1lsi 1
117 1 1 . . . . . . . . . 60 . HN parsed_1lsi 1
117 1 2 . . . . . . . . . 60 . HB2 parsed_1lsi 1
118 1 1 . . . . . . . . . 60 . HA parsed_1lsi 1
118 1 2 . . . . . . . . . 61 . HN parsed_1lsi 1
119 1 1 . . . . . . . . . 61 . HN parsed_1lsi 1
119 1 2 . . . . . . . . . 61 . HA parsed_1lsi 1
120 1 1 . . . . . . . . . 61 . HN parsed_1lsi 1
120 1 2 . . . . . . . . . 61 . HB2 parsed_1lsi 1
121 1 1 . . . . . . . . . 61 . HA parsed_1lsi 1
121 1 2 . . . . . . . . . 61 . HB1 parsed_1lsi 1
122 1 1 . . . . . . . . . 61 . HA parsed_1lsi 1
122 1 2 . . . . . . . . . 61 . HG+ parsed_1lsi 1
123 1 1 . . . . . . . . . 62 . HN parsed_1lsi 1
123 1 2 . . . . . . . . . 62 . HA parsed_1lsi 1
124 1 1 . . . . . . . . . 62 . HN parsed_1lsi 1
124 1 2 . . . . . . . . . 63 . HN parsed_1lsi 1
125 1 1 . . . . . . . . . 63 . HN parsed_1lsi 1
125 1 2 . . . . . . . . . 63 . HA parsed_1lsi 1
126 1 1 . . . . . . . . . 63 . HA parsed_1lsi 1
126 1 2 . . . . . . . . . 63 . HB1 parsed_1lsi 1
127 1 1 . . . . . . . . . 63 . HA parsed_1lsi 1
127 1 2 . . . . . . . . . 63 . HB2 parsed_1lsi 1
128 1 1 . . . . . . . . . 64 . HN parsed_1lsi 1
128 1 2 . . . . . . . . . 64 . HA parsed_1lsi 1
129 1 1 . . . . . . . . . 64 . HA parsed_1lsi 1
129 1 2 . . . . . . . . . 64 . HG2+ parsed_1lsi 1
130 1 1 . . . . . . . . . 64 . HA parsed_1lsi 1
130 1 2 . . . . . . . . . 65 . HN parsed_1lsi 1
131 1 1 . . . . . . . . . 65 . HN parsed_1lsi 1
131 1 2 . . . . . . . . . 65 . HA parsed_1lsi 1
132 1 1 . . . . . . . . . 65 . HN parsed_1lsi 1
132 1 2 . . . . . . . . . 65 . HB2 parsed_1lsi 1
133 1 1 . . . . . . . . . 65 . HA parsed_1lsi 1
133 1 2 . . . . . . . . . 65 . HB1 parsed_1lsi 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.60 2.20 3.00 parsed_1lsi 1
2 1 . . . . . 2.35 2.20 2.50 parsed_1lsi 1
3 1 . . . . . 2.30 2.20 2.40 parsed_1lsi 1
4 1 . . . . . 2.60 2.20 3.00 parsed_1lsi 1
5 1 . . . . . 2.40 2.20 2.60 parsed_1lsi 1
6 1 . . . . . 2.40 2.20 4.90 parsed_1lsi 1
7 1 . . . . . 2.40 2.20 4.90 parsed_1lsi 1
8 1 . . . . . 2.45 2.20 4.95 parsed_1lsi 1
9 1 . . . . . 2.55 2.20 3.40 parsed_1lsi 1
10 1 . . . . . 2.40 2.20 5.00 parsed_1lsi 1
11 1 . . . . . 2.30 2.20 5.00 parsed_1lsi 1
12 1 . . . . . 2.65 2.20 3.10 parsed_1lsi 1
13 1 . . . . . 2.35 2.20 2.50 parsed_1lsi 1
14 1 . . . . . 2.45 2.20 2.70 parsed_1lsi 1
15 1 . . . . . 2.50 2.20 2.80 parsed_1lsi 1
16 1 . . . . . 2.40 2.20 2.60 parsed_1lsi 1
17 1 . . . . . 2.65 2.20 3.10 parsed_1lsi 1
18 1 . . . . . 2.45 2.20 2.70 parsed_1lsi 1
19 1 . . . . . 2.30 2.20 5.00 parsed_1lsi 1
20 1 . . . . . 2.50 2.20 2.80 parsed_1lsi 1
21 1 . . . . . 2.25 2.20 2.30 parsed_1lsi 1
22 1 . . . . . 2.40 2.20 2.60 parsed_1lsi 1
23 1 . . . . . 2.30 2.20 2.40 parsed_1lsi 1
24 1 . . . . . 2.50 2.20 2.80 parsed_1lsi 1
25 1 . . . . . 2.40 2.20 3.10 parsed_1lsi 1
26 1 . . . . . 2.45 2.20 2.70 parsed_1lsi 1
27 1 . . . . . 2.40 2.20 2.60 parsed_1lsi 1
28 1 . . . . . 2.65 2.20 3.10 parsed_1lsi 1
29 1 . . . . . 2.30 2.20 2.40 parsed_1lsi 1
30 1 . . . . . 2.55 2.20 2.90 parsed_1lsi 1
31 1 . . . . . 2.45 2.20 2.70 parsed_1lsi 1
32 1 . . . . . 2.50 2.20 2.80 parsed_1lsi 1
33 1 . . . . . 2.40 2.20 2.60 parsed_1lsi 1
34 1 . . . . . 2.65 2.20 3.10 parsed_1lsi 1
35 1 . . . . . 2.95 2.20 3.70 parsed_1lsi 1
36 1 . . . . . 2.20 2.20 2.20 parsed_1lsi 1
37 1 . . . . . 3.10 2.20 4.00 parsed_1lsi 1
38 1 . . . . . 2.65 2.20 3.10 parsed_1lsi 1
39 1 . . . . . 2.60 2.20 3.00 parsed_1lsi 1
40 1 . . . . . 2.30 2.20 2.40 parsed_1lsi 1
41 1 . . . . . 2.30 2.20 2.40 parsed_1lsi 1
42 1 . . . . . 2.55 2.20 2.90 parsed_1lsi 1
43 1 . . . . . 2.35 2.20 2.50 parsed_1lsi 1
44 1 . . . . . 2.50 2.20 2.80 parsed_1lsi 1
45 1 . . . . . 2.30 2.20 2.40 parsed_1lsi 1
46 1 . . . . . 2.55 2.20 2.90 parsed_1lsi 1
47 1 . . . . . 2.40 2.20 2.60 parsed_1lsi 1
48 1 . . . . . 2.55 2.20 2.90 parsed_1lsi 1
49 1 . . . . . 2.65 2.20 3.10 parsed_1lsi 1
50 1 . . . . . 2.40 2.20 2.60 parsed_1lsi 1
51 1 . . . . . 2.60 2.20 3.50 parsed_1lsi 1
52 1 . . . . . 3.30 2.10 4.50 parsed_1lsi 1
53 1 . . . . . 3.60 2.20 5.00 parsed_1lsi 1
54 1 . . . . . 2.45 2.20 2.70 parsed_1lsi 1
55 1 . . . . . 2.30 2.20 2.40 parsed_1lsi 1
56 1 . . . . . 2.45 2.20 2.70 parsed_1lsi 1
57 1 . . . . . 2.60 2.20 3.00 parsed_1lsi 1
58 1 . . . . . 2.55 2.20 2.90 parsed_1lsi 1
59 1 . . . . . 2.55 2.20 2.90 parsed_1lsi 1
60 1 . . . . . 2.65 2.20 3.10 parsed_1lsi 1
61 1 . . . . . 2.65 2.20 3.10 parsed_1lsi 1
62 1 . . . . . 2.20 2.20 2.20 parsed_1lsi 1
63 1 . . . . . 2.55 2.20 2.90 parsed_1lsi 1
64 1 . . . . . 2.60 2.20 3.00 parsed_1lsi 1
65 1 . . . . . 2.50 2.20 2.80 parsed_1lsi 1
66 1 . . . . . 2.50 2.20 2.80 parsed_1lsi 1
67 1 . . . . . 2.60 2.20 3.00 parsed_1lsi 1
68 1 . . . . . 2.30 2.20 2.40 parsed_1lsi 1
69 1 . . . . . 2.20 2.20 2.20 parsed_1lsi 1
70 1 . . . . . 2.65 2.20 3.10 parsed_1lsi 1
71 1 . . . . . 2.40 2.20 2.60 parsed_1lsi 1
72 1 . . . . . 2.65 2.20 3.10 parsed_1lsi 1
73 1 . . . . . 2.45 2.20 2.70 parsed_1lsi 1
74 1 . . . . . 2.65 2.20 3.10 parsed_1lsi 1
75 1 . . . . . 2.30 2.20 2.40 parsed_1lsi 1
76 1 . . . . . 2.50 2.20 2.80 parsed_1lsi 1
77 1 . . . . . 2.45 2.20 2.70 parsed_1lsi 1
78 1 . . . . . 2.45 2.20 2.70 parsed_1lsi 1
79 1 . . . . . 2.35 2.20 2.50 parsed_1lsi 1
80 1 . . . . . 2.60 2.20 3.50 parsed_1lsi 1
81 1 . . . . . 2.60 2.20 3.00 parsed_1lsi 1
82 1 . . . . . 2.40 2.20 3.10 parsed_1lsi 1
83 1 . . . . . 2.35 2.20 2.50 parsed_1lsi 1
84 1 . . . . . 2.55 2.20 2.90 parsed_1lsi 1
85 1 . . . . . 2.30 2.20 2.90 parsed_1lsi 1
86 1 . . . . . 2.45 2.20 2.70 parsed_1lsi 1
87 1 . . . . . 2.60 2.20 3.00 parsed_1lsi 1
88 1 . . . . . 2.30 2.20 2.40 parsed_1lsi 1
89 1 . . . . . 2.30 2.20 2.40 parsed_1lsi 1
90 1 . . . . . 2.40 2.20 2.60 parsed_1lsi 1
91 1 . . . . . 2.45 2.20 2.70 parsed_1lsi 1
92 1 . . . . . 2.45 2.20 2.70 parsed_1lsi 1
93 1 . . . . . 2.55 2.20 2.90 parsed_1lsi 1
94 1 . . . . . 2.65 2.20 3.10 parsed_1lsi 1
95 1 . . . . . 2.40 2.20 2.60 parsed_1lsi 1
96 1 . . . . . 2.45 2.20 2.70 parsed_1lsi 1
97 1 . . . . . 2.40 2.20 2.60 parsed_1lsi 1
98 1 . . . . . 2.45 2.20 2.70 parsed_1lsi 1
99 1 . . . . . 2.55 2.20 2.90 parsed_1lsi 1
100 1 . . . . . 2.50 2.20 2.80 parsed_1lsi 1
101 1 . . . . . 2.65 2.20 3.10 parsed_1lsi 1
102 1 . . . . . 2.65 2.20 3.10 parsed_1lsi 1
103 1 . . . . . 2.45 2.20 2.70 parsed_1lsi 1
104 1 . . . . . 2.65 2.20 3.10 parsed_1lsi 1
105 1 . . . . . 2.50 2.20 2.80 parsed_1lsi 1
106 1 . . . . . 2.40 2.20 2.60 parsed_1lsi 1
107 1 . . . . . 2.55 2.20 2.90 parsed_1lsi 1
108 1 . . . . . 2.35 2.20 2.50 parsed_1lsi 1
109 1 . . . . . 2.35 2.20 2.50 parsed_1lsi 1
110 1 . . . . . 2.80 2.20 3.40 parsed_1lsi 1
111 1 . . . . . 2.65 2.20 3.10 parsed_1lsi 1
112 1 . . . . . 2.65 2.20 3.10 parsed_1lsi 1
113 1 . . . . . 2.25 2.20 2.30 parsed_1lsi 1
114 1 . . . . . 2.60 2.20 3.00 parsed_1lsi 1
115 1 . . . . . 2.40 2.20 2.60 parsed_1lsi 1
116 1 . . . . . 2.60 2.20 3.00 parsed_1lsi 1
117 1 . . . . . 2.45 2.20 2.70 parsed_1lsi 1
118 1 . . . . . 2.50 2.20 2.80 parsed_1lsi 1
119 1 . . . . . 2.30 2.20 2.90 parsed_1lsi 1
120 1 . . . . . 2.45 2.20 2.70 parsed_1lsi 1
121 1 . . . . . 2.60 2.20 3.00 parsed_1lsi 1
122 1 . . . . . 2.60 2.20 3.60 parsed_1lsi 1
123 1 . . . . . 2.50 2.20 2.80 parsed_1lsi 1
124 1 . . . . . 2.55 2.20 2.90 parsed_1lsi 1
125 1 . . . . . 2.55 2.20 2.90 parsed_1lsi 1
126 1 . . . . . 2.55 2.20 2.90 parsed_1lsi 1
127 1 . . . . . 2.50 2.20 2.80 parsed_1lsi 1
128 1 . . . . . 2.65 2.20 3.10 parsed_1lsi 1
129 1 . . . . . 2.30 2.20 2.40 parsed_1lsi 1
130 1 . . . . . 2.35 2.20 2.50 parsed_1lsi 1
131 1 . . . . . 2.35 2.20 2.50 parsed_1lsi 1
132 1 . . . . . 2.60 2.20 3.00 parsed_1lsi 1
133 1 . . . . . 2.55 2.20 2.90 parsed_1lsi 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_1lsi
_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
;
classification MED
;
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1lsi
_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_1lsi 2
2 1 . . . parsed_1lsi 2
3 1 . . . parsed_1lsi 2
4 1 . . . parsed_1lsi 2
5 1 . . . parsed_1lsi 2
6 1 . . . parsed_1lsi 2
7 1 . . . parsed_1lsi 2
8 1 . . . parsed_1lsi 2
9 1 . . . parsed_1lsi 2
10 1 . . . parsed_1lsi 2
11 1 . . . parsed_1lsi 2
12 1 . . . parsed_1lsi 2
13 1 . . . parsed_1lsi 2
14 1 . . . parsed_1lsi 2
15 1 . . . parsed_1lsi 2
16 1 . . . parsed_1lsi 2
17 1 . . . parsed_1lsi 2
18 1 . . . parsed_1lsi 2
19 1 . . . parsed_1lsi 2
20 1 . . . parsed_1lsi 2
21 1 . . . parsed_1lsi 2
22 1 . . . parsed_1lsi 2
23 1 . . . parsed_1lsi 2
24 1 . . . parsed_1lsi 2
25 1 . . . parsed_1lsi 2
26 1 . . . parsed_1lsi 2
27 1 . . . parsed_1lsi 2
28 1 . . . parsed_1lsi 2
29 1 . . . parsed_1lsi 2
30 1 . . . parsed_1lsi 2
31 1 . . . parsed_1lsi 2
32 1 . . . parsed_1lsi 2
33 1 . . . parsed_1lsi 2
34 1 . . . parsed_1lsi 2
35 1 . . . parsed_1lsi 2
36 1 . . . parsed_1lsi 2
37 1 . . . parsed_1lsi 2
38 1 . . . parsed_1lsi 2
39 1 . . . parsed_1lsi 2
40 1 . . . parsed_1lsi 2
41 1 . . . parsed_1lsi 2
42 1 . . . parsed_1lsi 2
43 1 . . . parsed_1lsi 2
44 1 . . . parsed_1lsi 2
45 1 . . . parsed_1lsi 2
46 1 . . . parsed_1lsi 2
47 1 . . . parsed_1lsi 2
48 1 . . . parsed_1lsi 2
49 1 . . . parsed_1lsi 2
50 1 . . . parsed_1lsi 2
51 1 . . . parsed_1lsi 2
52 1 . . . parsed_1lsi 2
53 1 . . . parsed_1lsi 2
54 1 . . . parsed_1lsi 2
55 1 . . . parsed_1lsi 2
56 1 . . . parsed_1lsi 2
57 1 . . . parsed_1lsi 2
58 1 . . . parsed_1lsi 2
59 1 . . . parsed_1lsi 2
60 1 . . . parsed_1lsi 2
61 1 . . . parsed_1lsi 2
62 1 . . . parsed_1lsi 2
63 1 . . . parsed_1lsi 2
64 1 . . . parsed_1lsi 2
65 1 . . . parsed_1lsi 2
66 1 . . . parsed_1lsi 2
67 1 . . . parsed_1lsi 2
68 1 . . . parsed_1lsi 2
69 1 . . . parsed_1lsi 2
70 1 . . . parsed_1lsi 2
71 1 . . . parsed_1lsi 2
72 1 . . . parsed_1lsi 2
73 1 . . . parsed_1lsi 2
74 1 . . . parsed_1lsi 2
75 1 . . . parsed_1lsi 2
76 1 . . . parsed_1lsi 2
77 1 . . . parsed_1lsi 2
78 1 . . . parsed_1lsi 2
79 1 . . . parsed_1lsi 2
80 1 . . . parsed_1lsi 2
81 1 . . . parsed_1lsi 2
82 1 . . . parsed_1lsi 2
83 1 . . . parsed_1lsi 2
84 1 . . . parsed_1lsi 2
85 1 . . . parsed_1lsi 2
86 1 . . . parsed_1lsi 2
87 1 . . . parsed_1lsi 2
88 1 . . . parsed_1lsi 2
89 1 . . . parsed_1lsi 2
90 1 . . . parsed_1lsi 2
91 1 . . . parsed_1lsi 2
92 1 . . . parsed_1lsi 2
93 1 . . . parsed_1lsi 2
94 1 . . . parsed_1lsi 2
95 1 . . . parsed_1lsi 2
96 1 . . . parsed_1lsi 2
97 1 . . . parsed_1lsi 2
98 1 . . . parsed_1lsi 2
99 1 . . . parsed_1lsi 2
100 1 . . . parsed_1lsi 2
101 1 . . . parsed_1lsi 2
102 1 . . . parsed_1lsi 2
103 1 . . . parsed_1lsi 2
104 1 . . . parsed_1lsi 2
105 1 . . . parsed_1lsi 2
106 1 . . . parsed_1lsi 2
107 1 . . . parsed_1lsi 2
108 1 . . . parsed_1lsi 2
109 1 . . . parsed_1lsi 2
110 1 . . . parsed_1lsi 2
111 1 . . . parsed_1lsi 2
112 1 . . . parsed_1lsi 2
113 1 . . . parsed_1lsi 2
114 1 . . . parsed_1lsi 2
115 1 . . . parsed_1lsi 2
116 1 . . . parsed_1lsi 2
117 1 . . . parsed_1lsi 2
118 1 . . . parsed_1lsi 2
119 1 . . . parsed_1lsi 2
120 1 . . . parsed_1lsi 2
121 1 . . . parsed_1lsi 2
122 1 . . . parsed_1lsi 2
123 1 . . . parsed_1lsi 2
124 1 . . . parsed_1lsi 2
125 1 . . . parsed_1lsi 2
126 1 . . . parsed_1lsi 2
127 1 . . . parsed_1lsi 2
128 1 . . . parsed_1lsi 2
129 1 . . . parsed_1lsi 2
130 1 . . . parsed_1lsi 2
131 1 . . . parsed_1lsi 2
132 1 . . . parsed_1lsi 2
133 1 . . . parsed_1lsi 2
134 1 . . . parsed_1lsi 2
135 1 . . . parsed_1lsi 2
136 1 . . . parsed_1lsi 2
137 1 . . . parsed_1lsi 2
138 1 . . . parsed_1lsi 2
139 1 . . . parsed_1lsi 2
140 1 . . . parsed_1lsi 2
141 1 . . . parsed_1lsi 2
142 1 . . . parsed_1lsi 2
143 1 . . . parsed_1lsi 2
144 1 . . . parsed_1lsi 2
145 1 . . . parsed_1lsi 2
146 1 . . . parsed_1lsi 2
147 1 . . . parsed_1lsi 2
148 1 . . . parsed_1lsi 2
149 1 . . . parsed_1lsi 2
150 1 . . . parsed_1lsi 2
151 1 . . . parsed_1lsi 2
152 1 . . . parsed_1lsi 2
153 1 . . . parsed_1lsi 2
154 1 . . . parsed_1lsi 2
155 1 . . . parsed_1lsi 2
156 1 . . . parsed_1lsi 2
157 1 . . . parsed_1lsi 2
158 1 . . . parsed_1lsi 2
159 1 . . . parsed_1lsi 2
160 1 . . . parsed_1lsi 2
161 1 . . . parsed_1lsi 2
162 1 . . . parsed_1lsi 2
163 1 . . . parsed_1lsi 2
164 1 . . . parsed_1lsi 2
165 1 . . . parsed_1lsi 2
166 1 . . . parsed_1lsi 2
167 1 . . . parsed_1lsi 2
168 1 . . . parsed_1lsi 2
169 1 . . . parsed_1lsi 2
170 1 . . . parsed_1lsi 2
171 1 . . . parsed_1lsi 2
172 1 . . . parsed_1lsi 2
173 1 . . . parsed_1lsi 2
174 1 . . . parsed_1lsi 2
175 1 . . . parsed_1lsi 2
176 1 . . . parsed_1lsi 2
177 1 . . . parsed_1lsi 2
178 1 . . . parsed_1lsi 2
179 1 . . . parsed_1lsi 2
180 1 . . . parsed_1lsi 2
181 1 . . . parsed_1lsi 2
182 1 . . . parsed_1lsi 2
183 1 . . . parsed_1lsi 2
184 1 . . . parsed_1lsi 2
185 1 . . . parsed_1lsi 2
186 1 . . . parsed_1lsi 2
187 1 . . . parsed_1lsi 2
188 1 . . . parsed_1lsi 2
189 1 . . . parsed_1lsi 2
190 1 . . . parsed_1lsi 2
191 1 . . . parsed_1lsi 2
192 1 . . . parsed_1lsi 2
193 1 . . . parsed_1lsi 2
194 1 . . . parsed_1lsi 2
195 1 . . . parsed_1lsi 2
196 1 . . . parsed_1lsi 2
197 1 . . . parsed_1lsi 2
198 1 . . . parsed_1lsi 2
199 1 . . . parsed_1lsi 2
200 1 . . . parsed_1lsi 2
201 1 . . . parsed_1lsi 2
202 1 . . . parsed_1lsi 2
203 1 . . . parsed_1lsi 2
204 1 . . . parsed_1lsi 2
205 1 . . . parsed_1lsi 2
206 1 . . . parsed_1lsi 2
207 1 . . . parsed_1lsi 2
208 1 . . . parsed_1lsi 2
209 1 . . . parsed_1lsi 2
210 1 . . . parsed_1lsi 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 . HT+ parsed_1lsi 2
1 1 2 . . . . . . . . . 1 . HB+ parsed_1lsi 2
2 1 1 . . . . . . . . . 1 . HT+ parsed_1lsi 2
2 1 2 . . . . . . . . . 1 . HG+ parsed_1lsi 2
3 1 1 . . . . . . . . . 1 . HA parsed_1lsi 2
3 1 2 . . . . . . . . . 1 . HB+ parsed_1lsi 2
4 1 1 . . . . . . . . . 1 . HB+ parsed_1lsi 2
4 1 2 . . . . . . . . . 2 . HN parsed_1lsi 2
5 1 1 . . . . . . . . . 1 . HB+ parsed_1lsi 2
5 1 2 . . . . . . . . . 12 . HB parsed_1lsi 2
6 1 1 . . . . . . . . . 2 . HN parsed_1lsi 2
6 1 2 . . . . . . . . . 2 . HB+ parsed_1lsi 2
7 1 1 . . . . . . . . . 2 . HN parsed_1lsi 2
7 1 2 . . . . . . . . . 12 . HA parsed_1lsi 2
8 1 1 . . . . . . . . . 2 . HA parsed_1lsi 2
8 1 2 . . . . . . . . . 2 . HG+ parsed_1lsi 2
9 1 1 . . . . . . . . . 2 . HB+ parsed_1lsi 2
9 1 2 . . . . . . . . . 3 . HN parsed_1lsi 2
10 1 1 . . . . . . . . . 3 . HN parsed_1lsi 2
10 1 2 . . . . . . . . . 3 . HA parsed_1lsi 2
11 1 1 . . . . . . . . . 3 . HA parsed_1lsi 2
11 1 2 . . . . . . . . . 3 . HB1 parsed_1lsi 2
12 1 1 . . . . . . . . . 3 . HA parsed_1lsi 2
12 1 2 . . . . . . . . . 3 . HB2 parsed_1lsi 2
13 1 1 . . . . . . . . . 3 . HA parsed_1lsi 2
13 1 2 . . . . . . . . . 10 . HG2+ parsed_1lsi 2
14 1 1 . . . . . . . . . 3 . HB1 parsed_1lsi 2
14 1 2 . . . . . . . . . 4 . HN parsed_1lsi 2
15 1 1 . . . . . . . . . 4 . HN parsed_1lsi 2
15 1 2 . . . . . . . . . 4 . HB2 parsed_1lsi 2
16 1 1 . . . . . . . . . 4 . HA parsed_1lsi 2
16 1 2 . . . . . . . . . 4 . HB+ parsed_1lsi 2
17 1 1 . . . . . . . . . 4 . HA parsed_1lsi 2
17 1 2 . . . . . . . . . 10 . HB parsed_1lsi 2
18 1 1 . . . . . . . . . 4 . HA parsed_1lsi 2
18 1 2 . . . . . . . . . 12 . HG2+ parsed_1lsi 2
19 1 1 . . . . . . . . . 4 . HB+ parsed_1lsi 2
19 1 2 . . . . . . . . . 5 . HN parsed_1lsi 2
20 1 1 . . . . . . . . . 4 . HB+ parsed_1lsi 2
20 1 2 . . . . . . . . . 5 . HG parsed_1lsi 2
21 1 1 . . . . . . . . . 5 . HN parsed_1lsi 2
21 1 2 . . . . . . . . . 5 . HB1 parsed_1lsi 2
22 1 1 . . . . . . . . . 5 . HN parsed_1lsi 2
22 1 2 . . . . . . . . . 5 . HG parsed_1lsi 2
23 1 1 . . . . . . . . . 5 . HN parsed_1lsi 2
23 1 2 . . . . . . . . . 6 . HN parsed_1lsi 2
24 1 1 . . . . . . . . . 5 . HA parsed_1lsi 2
24 1 2 . . . . . . . . . 6 . HN parsed_1lsi 2
25 1 1 . . . . . . . . . 5 . HB1 parsed_1lsi 2
25 1 2 . . . . . . . . . 5 . HD2+ parsed_1lsi 2
26 1 1 . . . . . . . . . 5 . HB2 parsed_1lsi 2
26 1 2 . . . . . . . . . 10 . HG2+ parsed_1lsi 2
27 1 1 . . . . . . . . . 6 . HN parsed_1lsi 2
27 1 2 . . . . . . . . . 6 . HB+ parsed_1lsi 2
28 1 1 . . . . . . . . . 6 . HD2+ parsed_1lsi 2
28 1 2 . . . . . . . . . 38 . HA parsed_1lsi 2
29 1 1 . . . . . . . . . 7 . HA parsed_1lsi 2
29 1 2 . . . . . . . . . 7 . HB+ parsed_1lsi 2
30 1 1 . . . . . . . . . 7 . HA parsed_1lsi 2
30 1 2 . . . . . . . . . 7 . HG+ parsed_1lsi 2
31 1 1 . . . . . . . . . 8 . HE1 parsed_1lsi 2
31 1 2 . . . . . . . . . 37 . HB1 parsed_1lsi 2
32 1 1 . . . . . . . . . 8 . HE1 parsed_1lsi 2
32 1 2 . . . . . . . . . 37 . HG parsed_1lsi 2
33 1 1 . . . . . . . . . 9 . HN parsed_1lsi 2
33 1 2 . . . . . . . . . 9 . HA parsed_1lsi 2
34 1 1 . . . . . . . . . 9 . HN parsed_1lsi 2
34 1 2 . . . . . . . . . 9 . HB+ parsed_1lsi 2
35 1 1 . . . . . . . . . 10 . HN parsed_1lsi 2
35 1 2 . . . . . . . . . 38 . HB+ parsed_1lsi 2
36 1 1 . . . . . . . . . 10 . HA parsed_1lsi 2
36 1 2 . . . . . . . . . 10 . HB parsed_1lsi 2
37 1 1 . . . . . . . . . 10 . HA parsed_1lsi 2
37 1 2 . . . . . . . . . 10 . HG2+ parsed_1lsi 2
38 1 1 . . . . . . . . . 11 . HN parsed_1lsi 2
38 1 2 . . . . . . . . . 11 . HB+ parsed_1lsi 2
39 1 1 . . . . . . . . . 11 . HN parsed_1lsi 2
39 1 2 . . . . . . . . . 11 . HG+ parsed_1lsi 2
40 1 1 . . . . . . . . . 11 . HA parsed_1lsi 2
40 1 2 . . . . . . . . . 11 . HB+ parsed_1lsi 2
41 1 1 . . . . . . . . . 11 . HG+ parsed_1lsi 2
41 1 2 . . . . . . . . . 41 . HN parsed_1lsi 2
42 1 1 . . . . . . . . . 13 . HN parsed_1lsi 2
42 1 2 . . . . . . . . . 13 . HA parsed_1lsi 2
43 1 1 . . . . . . . . . 13 . HN parsed_1lsi 2
43 1 2 . . . . . . . . . 13 . HB1 parsed_1lsi 2
44 1 1 . . . . . . . . . 13 . HA parsed_1lsi 2
44 1 2 . . . . . . . . . 13 . HB2 parsed_1lsi 2
45 1 1 . . . . . . . . . 13 . HA parsed_1lsi 2
45 1 2 . . . . . . . . . 14 . HD2 parsed_1lsi 2
46 1 1 . . . . . . . . . 14 . HA parsed_1lsi 2
46 1 2 . . . . . . . . . 14 . HB+ parsed_1lsi 2
47 1 1 . . . . . . . . . 14 . HA parsed_1lsi 2
47 1 2 . . . . . . . . . 14 . HG+ parsed_1lsi 2
48 1 1 . . . . . . . . . 15 . HN parsed_1lsi 2
48 1 2 . . . . . . . . . 15 . HA parsed_1lsi 2
49 1 1 . . . . . . . . . 16 . HN parsed_1lsi 2
49 1 2 . . . . . . . . . 16 . HA+ parsed_1lsi 2
50 1 1 . . . . . . . . . 17 . HN parsed_1lsi 2
50 1 2 . . . . . . . . . 17 . HB+ parsed_1lsi 2
51 1 1 . . . . . . . . . 17 . HN parsed_1lsi 2
51 1 2 . . . . . . . . . 17 . HG+ parsed_1lsi 2
52 1 1 . . . . . . . . . 17 . HA parsed_1lsi 2
52 1 2 . . . . . . . . . 17 . HG+ parsed_1lsi 2
53 1 1 . . . . . . . . . 17 . HB+ parsed_1lsi 2
53 1 2 . . . . . . . . . 18 . HN parsed_1lsi 2
54 1 1 . . . . . . . . . 18 . HN parsed_1lsi 2
54 1 2 . . . . . . . . . 18 . HA parsed_1lsi 2
55 1 1 . . . . . . . . . 18 . HN parsed_1lsi 2
55 1 2 . . . . . . . . . 18 . HG+ parsed_1lsi 2
56 1 1 . . . . . . . . . 18 . HA parsed_1lsi 2
56 1 2 . . . . . . . . . 18 . HB+ parsed_1lsi 2
57 1 1 . . . . . . . . . 18 . HA parsed_1lsi 2
57 1 2 . . . . . . . . . 18 . HG+ parsed_1lsi 2
58 1 1 . . . . . . . . . 18 . HB+ parsed_1lsi 2
58 1 2 . . . . . . . . . 19 . HN parsed_1lsi 2
59 1 1 . . . . . . . . . 19 . HN parsed_1lsi 2
59 1 2 . . . . . . . . . 19 . HA parsed_1lsi 2
60 1 1 . . . . . . . . . 19 . HN parsed_1lsi 2
60 1 2 . . . . . . . . . 19 . HG1+ parsed_1lsi 2
61 1 1 . . . . . . . . . 19 . HA parsed_1lsi 2
61 1 2 . . . . . . . . . 19 . HB parsed_1lsi 2
62 1 1 . . . . . . . . . 19 . HA parsed_1lsi 2
62 1 2 . . . . . . . . . 19 . HG1+ parsed_1lsi 2
63 1 1 . . . . . . . . . 19 . HA parsed_1lsi 2
63 1 2 . . . . . . . . . 19 . HD1+ parsed_1lsi 2
64 1 1 . . . . . . . . . 19 . HB parsed_1lsi 2
64 1 2 . . . . . . . . . 20 . HN parsed_1lsi 2
65 1 1 . . . . . . . . . 19 . HB parsed_1lsi 2
65 1 2 . . . . . . . . . 42 . HN parsed_1lsi 2
66 1 1 . . . . . . . . . 19 . HB parsed_1lsi 2
66 1 2 . . . . . . . . . 43 . HN parsed_1lsi 2
67 1 1 . . . . . . . . . 19 . HD1+ parsed_1lsi 2
67 1 2 . . . . . . . . . 44 . HA parsed_1lsi 2
68 1 1 . . . . . . . . . 20 . HN parsed_1lsi 2
68 1 2 . . . . . . . . . 20 . HB+ parsed_1lsi 2
69 1 1 . . . . . . . . . 20 . HA parsed_1lsi 2
69 1 2 . . . . . . . . . 20 . HB+ parsed_1lsi 2
70 1 1 . . . . . . . . . 20 . HA parsed_1lsi 2
70 1 2 . . . . . . . . . 41 . HA parsed_1lsi 2
71 1 1 . . . . . . . . . 21 . HN parsed_1lsi 2
71 1 2 . . . . . . . . . 21 . HA parsed_1lsi 2
72 1 1 . . . . . . . . . 21 . HN parsed_1lsi 2
72 1 2 . . . . . . . . . 21 . HB+ parsed_1lsi 2
73 1 1 . . . . . . . . . 21 . HN parsed_1lsi 2
73 1 2 . . . . . . . . . 40 . HN parsed_1lsi 2
74 1 1 . . . . . . . . . 21 . HN parsed_1lsi 2
74 1 2 . . . . . . . . . 41 . HA parsed_1lsi 2
75 1 1 . . . . . . . . . 21 . HA parsed_1lsi 2
75 1 2 . . . . . . . . . 21 . HB+ parsed_1lsi 2
76 1 1 . . . . . . . . . 21 . HB+ parsed_1lsi 2
76 1 2 . . . . . . . . . 22 . HN parsed_1lsi 2
77 1 1 . . . . . . . . . 22 . HN parsed_1lsi 2
77 1 2 . . . . . . . . . 22 . HA parsed_1lsi 2
78 1 1 . . . . . . . . . 22 . HN parsed_1lsi 2
78 1 2 . . . . . . . . . 22 . HG2+ parsed_1lsi 2
79 1 1 . . . . . . . . . 22 . HN parsed_1lsi 2
79 1 2 . . . . . . . . . 55 . HN parsed_1lsi 2
80 1 1 . . . . . . . . . 22 . HA parsed_1lsi 2
80 1 2 . . . . . . . . . 22 . HG1+ parsed_1lsi 2
81 1 1 . . . . . . . . . 23 . HN parsed_1lsi 2
81 1 2 . . . . . . . . . 23 . HA parsed_1lsi 2
82 1 1 . . . . . . . . . 23 . HN parsed_1lsi 2
82 1 2 . . . . . . . . . 23 . HB+ parsed_1lsi 2
83 1 1 . . . . . . . . . 24 . HN parsed_1lsi 2
83 1 2 . . . . . . . . . 24 . HA parsed_1lsi 2
84 1 1 . . . . . . . . . 24 . HN parsed_1lsi 2
84 1 2 . . . . . . . . . 54 . HA parsed_1lsi 2
85 1 1 . . . . . . . . . 24 . HA parsed_1lsi 2
85 1 2 . . . . . . . . . 24 . HB+ parsed_1lsi 2
86 1 1 . . . . . . . . . 25 . HN parsed_1lsi 2
86 1 2 . . . . . . . . . 25 . HA parsed_1lsi 2
87 1 1 . . . . . . . . . 25 . HN parsed_1lsi 2
87 1 2 . . . . . . . . . 25 . HB+ parsed_1lsi 2
88 1 1 . . . . . . . . . 25 . HN parsed_1lsi 2
88 1 2 . . . . . . . . . 25 . HZ3 parsed_1lsi 2
89 1 1 . . . . . . . . . 25 . HN parsed_1lsi 2
89 1 2 . . . . . . . . . 36 . HB parsed_1lsi 2
90 1 1 . . . . . . . . . 25 . HA parsed_1lsi 2
90 1 2 . . . . . . . . . 25 . HB+ parsed_1lsi 2
91 1 1 . . . . . . . . . 25 . HE1 parsed_1lsi 2
91 1 2 . . . . . . . . . 36 . HB parsed_1lsi 2
92 1 1 . . . . . . . . . 25 . HH2 parsed_1lsi 2
92 1 2 . . . . . . . . . 25 . HZ3 parsed_1lsi 2
93 1 1 . . . . . . . . . 25 . HD1 parsed_1lsi 2
93 1 2 . . . . . . . . . 26 . HN parsed_1lsi 2
94 1 1 . . . . . . . . . 26 . HN parsed_1lsi 2
94 1 2 . . . . . . . . . 26 . HB+ parsed_1lsi 2
95 1 1 . . . . . . . . . 26 . HA parsed_1lsi 2
95 1 2 . . . . . . . . . 35 . HA parsed_1lsi 2
96 1 1 . . . . . . . . . 26 . HB+ parsed_1lsi 2
96 1 2 . . . . . . . . . 27 . HN parsed_1lsi 2
97 1 1 . . . . . . . . . 26 . HB+ parsed_1lsi 2
97 1 2 . . . . . . . . . 30 . HB+ parsed_1lsi 2
98 1 1 . . . . . . . . . 27 . HN parsed_1lsi 2
98 1 2 . . . . . . . . . 27 . HB+ parsed_1lsi 2
99 1 1 . . . . . . . . . 27 . HN parsed_1lsi 2
99 1 2 . . . . . . . . . 30 . HB+ parsed_1lsi 2
100 1 1 . . . . . . . . . 27 . HA parsed_1lsi 2
100 1 2 . . . . . . . . . 27 . HB+ parsed_1lsi 2
101 1 1 . . . . . . . . . 27 . HA parsed_1lsi 2
101 1 2 . . . . . . . . . 28 . HN parsed_1lsi 2
102 1 1 . . . . . . . . . 27 . HB+ parsed_1lsi 2
102 1 2 . . . . . . . . . 28 . HN parsed_1lsi 2
103 1 1 . . . . . . . . . 27 . HB+ parsed_1lsi 2
103 1 2 . . . . . . . . . 28 . HN parsed_1lsi 2
104 1 1 . . . . . . . . . 28 . HN parsed_1lsi 2
104 1 2 . . . . . . . . . 28 . HA parsed_1lsi 2
105 1 1 . . . . . . . . . 28 . HN parsed_1lsi 2
105 1 2 . . . . . . . . . 28 . HB+ parsed_1lsi 2
106 1 1 . . . . . . . . . 28 . HA parsed_1lsi 2
106 1 2 . . . . . . . . . 29 . HD1 parsed_1lsi 2
107 1 1 . . . . . . . . . 29 . HN parsed_1lsi 2
107 1 2 . . . . . . . . . 29 . HB1 parsed_1lsi 2
108 1 1 . . . . . . . . . 29 . HN parsed_1lsi 2
108 1 2 . . . . . . . . . 29 . HB2 parsed_1lsi 2
109 1 1 . . . . . . . . . 29 . HA parsed_1lsi 2
109 1 2 . . . . . . . . . 29 . HE3 parsed_1lsi 2
110 1 1 . . . . . . . . . 29 . HA parsed_1lsi 2
110 1 2 . . . . . . . . . 30 . HN parsed_1lsi 2
111 1 1 . . . . . . . . . 29 . HB1 parsed_1lsi 2
111 1 2 . . . . . . . . . 29 . HE3 parsed_1lsi 2
112 1 1 . . . . . . . . . 29 . HB2 parsed_1lsi 2
112 1 2 . . . . . . . . . 29 . HE3 parsed_1lsi 2
113 1 1 . . . . . . . . . 29 . HE1 parsed_1lsi 2
113 1 2 . . . . . . . . . 29 . HZ2 parsed_1lsi 2
114 1 1 . . . . . . . . . 30 . HN parsed_1lsi 2
114 1 2 . . . . . . . . . 30 . HA parsed_1lsi 2
115 1 1 . . . . . . . . . 30 . HN parsed_1lsi 2
115 1 2 . . . . . . . . . 30 . HB2 parsed_1lsi 2
116 1 1 . . . . . . . . . 30 . HA parsed_1lsi 2
116 1 2 . . . . . . . . . 30 . HB+ parsed_1lsi 2
117 1 1 . . . . . . . . . 30 . HA parsed_1lsi 2
117 1 2 . . . . . . . . . 34 . HN parsed_1lsi 2
118 1 1 . . . . . . . . . 30 . HB+ parsed_1lsi 2
118 1 2 . . . . . . . . . 31 . HN parsed_1lsi 2
119 1 1 . . . . . . . . . 30 . HB+ parsed_1lsi 2
119 1 2 . . . . . . . . . 33 . HN parsed_1lsi 2
120 1 1 . . . . . . . . . 31 . HN parsed_1lsi 2
120 1 2 . . . . . . . . . 31 . HB+ parsed_1lsi 2
121 1 1 . . . . . . . . . 31 . HA parsed_1lsi 2
121 1 2 . . . . . . . . . 31 . HB+ parsed_1lsi 2
122 1 1 . . . . . . . . . 32 . HN parsed_1lsi 2
122 1 2 . . . . . . . . . 32 . HA parsed_1lsi 2
123 1 1 . . . . . . . . . 32 . HN parsed_1lsi 2
123 1 2 . . . . . . . . . 32 . HB+ parsed_1lsi 2
124 1 1 . . . . . . . . . 32 . HB+ parsed_1lsi 2
124 1 2 . . . . . . . . . 33 . HN parsed_1lsi 2
125 1 1 . . . . . . . . . 33 . HN parsed_1lsi 2
125 1 2 . . . . . . . . . 33 . HB+ parsed_1lsi 2
126 1 1 . . . . . . . . . 33 . HA parsed_1lsi 2
126 1 2 . . . . . . . . . 33 . HG+ parsed_1lsi 2
127 1 1 . . . . . . . . . 34 . HN parsed_1lsi 2
127 1 2 . . . . . . . . . 34 . HA+ parsed_1lsi 2
128 1 1 . . . . . . . . . 34 . HA+ parsed_1lsi 2
128 1 2 . . . . . . . . . 35 . HN parsed_1lsi 2
129 1 1 . . . . . . . . . 35 . HN parsed_1lsi 2
129 1 2 . . . . . . . . . 35 . HB+ parsed_1lsi 2
130 1 1 . . . . . . . . . 35 . HN parsed_1lsi 2
130 1 2 . . . . . . . . . 35 . HG+ parsed_1lsi 2
131 1 1 . . . . . . . . . 35 . HA parsed_1lsi 2
131 1 2 . . . . . . . . . 35 . HB+ parsed_1lsi 2
132 1 1 . . . . . . . . . 35 . HA parsed_1lsi 2
132 1 2 . . . . . . . . . 35 . HG+ parsed_1lsi 2
133 1 1 . . . . . . . . . 36 . HN parsed_1lsi 2
133 1 2 . . . . . . . . . 36 . HA parsed_1lsi 2
134 1 1 . . . . . . . . . 36 . HN parsed_1lsi 2
134 1 2 . . . . . . . . . 36 . HG2+ parsed_1lsi 2
135 1 1 . . . . . . . . . 36 . HA parsed_1lsi 2
135 1 2 . . . . . . . . . 36 . HB parsed_1lsi 2
136 1 1 . . . . . . . . . 36 . HA parsed_1lsi 2
136 1 2 . . . . . . . . . 36 . HG2+ parsed_1lsi 2
137 1 1 . . . . . . . . . 36 . HB parsed_1lsi 2
137 1 2 . . . . . . . . . 36 . HG2+ parsed_1lsi 2
138 1 1 . . . . . . . . . 36 . HB parsed_1lsi 2
138 1 2 . . . . . . . . . 36 . HG1+ parsed_1lsi 2
139 1 1 . . . . . . . . . 37 . HN parsed_1lsi 2
139 1 2 . . . . . . . . . 37 . HB2 parsed_1lsi 2
140 1 1 . . . . . . . . . 37 . HN parsed_1lsi 2
140 1 2 . . . . . . . . . 37 . HB1 parsed_1lsi 2
141 1 1 . . . . . . . . . 37 . HN parsed_1lsi 2
141 1 2 . . . . . . . . . 37 . HG parsed_1lsi 2
142 1 1 . . . . . . . . . 37 . HA parsed_1lsi 2
142 1 2 . . . . . . . . . 37 . HB2 parsed_1lsi 2
143 1 1 . . . . . . . . . 37 . HA parsed_1lsi 2
143 1 2 . . . . . . . . . 37 . HB1 parsed_1lsi 2
144 1 1 . . . . . . . . . 37 . HA parsed_1lsi 2
144 1 2 . . . . . . . . . 37 . HD1+ parsed_1lsi 2
145 1 1 . . . . . . . . . 37 . HB2 parsed_1lsi 2
145 1 2 . . . . . . . . . 37 . HD2+ parsed_1lsi 2
146 1 1 . . . . . . . . . 37 . HB1 parsed_1lsi 2
146 1 2 . . . . . . . . . 37 . HD2+ parsed_1lsi 2
147 1 1 . . . . . . . . . 38 . HN parsed_1lsi 2
147 1 2 . . . . . . . . . 38 . HA parsed_1lsi 2
148 1 1 . . . . . . . . . 38 . HN parsed_1lsi 2
148 1 2 . . . . . . . . . 38 . HG+ parsed_1lsi 2
149 1 1 . . . . . . . . . 38 . HA parsed_1lsi 2
149 1 2 . . . . . . . . . 38 . HG+ parsed_1lsi 2
150 1 1 . . . . . . . . . 39 . HA parsed_1lsi 2
150 1 2 . . . . . . . . . 39 . HB+ parsed_1lsi 2
151 1 1 . . . . . . . . . 39 . CG parsed_1lsi 2
151 1 2 . . . . . . . . . 39 . HZ parsed_1lsi 2
152 1 1 . . . . . . . . . 39 . HZ parsed_1lsi 2
152 1 2 . . . . . . . . . 62 . HB+ parsed_1lsi 2
153 1 1 . . . . . . . . . 40 . HN parsed_1lsi 2
153 1 2 . . . . . . . . . 40 . HA+ parsed_1lsi 2
154 1 1 . . . . . . . . . 40 . HN parsed_1lsi 2
154 1 2 . . . . . . . . . 40 . HA1 parsed_1lsi 2
155 1 1 . . . . . . . . . 40 . HA+ parsed_1lsi 2
155 1 2 . . . . . . . . . 41 . HN parsed_1lsi 2
156 1 1 . . . . . . . . . 41 . HN parsed_1lsi 2
156 1 2 . . . . . . . . . 41 . HA parsed_1lsi 2
157 1 1 . . . . . . . . . 41 . HN parsed_1lsi 2
157 1 2 . . . . . . . . . 41 . HB1 parsed_1lsi 2
158 1 1 . . . . . . . . . 41 . HN parsed_1lsi 2
158 1 2 . . . . . . . . . 42 . HN parsed_1lsi 2
159 1 1 . . . . . . . . . 41 . HB2 parsed_1lsi 2
159 1 2 . . . . . . . . . 42 . HN parsed_1lsi 2
160 1 1 . . . . . . . . . 42 . HN parsed_1lsi 2
160 1 2 . . . . . . . . . 42 . HB+ parsed_1lsi 2
161 1 1 . . . . . . . . . 43 . HB+ parsed_1lsi 2
161 1 2 . . . . . . . . . 44 . HN parsed_1lsi 2
162 1 1 . . . . . . . . . 44 . HN parsed_1lsi 2
162 1 2 . . . . . . . . . 44 . HG2+ parsed_1lsi 2
163 1 1 . . . . . . . . . 44 . HA parsed_1lsi 2
163 1 2 . . . . . . . . . 44 . HG2+ parsed_1lsi 2
164 1 1 . . . . . . . . . 45 . HA parsed_1lsi 2
164 1 2 . . . . . . . . . 45 . HB2 parsed_1lsi 2
165 1 1 . . . . . . . . . 45 . HA parsed_1lsi 2
165 1 2 . . . . . . . . . 46 . HD+ parsed_1lsi 2
166 1 1 . . . . . . . . . 46 . HA parsed_1lsi 2
166 1 2 . . . . . . . . . 46 . HB+ parsed_1lsi 2
167 1 1 . . . . . . . . . 46 . HA parsed_1lsi 2
167 1 2 . . . . . . . . . 47 . HN parsed_1lsi 2
168 1 1 . . . . . . . . . 46 . HB+ parsed_1lsi 2
168 1 2 . . . . . . . . . 54 . HG2+ parsed_1lsi 2
169 1 1 . . . . . . . . . 46 . HG+ parsed_1lsi 2
169 1 2 . . . . . . . . . 46 . HD+ parsed_1lsi 2
170 1 1 . . . . . . . . . 46 . HD+ parsed_1lsi 2
170 1 2 . . . . . . . . . 54 . HG2+ parsed_1lsi 2
171 1 1 . . . . . . . . . 47 . HN parsed_1lsi 2
171 1 2 . . . . . . . . . 47 . HB+ parsed_1lsi 2
172 1 1 . . . . . . . . . 48 . HN parsed_1lsi 2
172 1 2 . . . . . . . . . 48 . HA parsed_1lsi 2
173 1 1 . . . . . . . . . 48 . HA parsed_1lsi 2
173 1 2 . . . . . . . . . 48 . HG1+ parsed_1lsi 2
174 1 1 . . . . . . . . . 48 . HB parsed_1lsi 2
174 1 2 . . . . . . . . . 48 . HG1+ parsed_1lsi 2
175 1 1 . . . . . . . . . 49 . HA parsed_1lsi 2
175 1 2 . . . . . . . . . 49 . HB1 parsed_1lsi 2
176 1 1 . . . . . . . . . 50 . HN parsed_1lsi 2
176 1 2 . . . . . . . . . 50 . HA parsed_1lsi 2
177 1 1 . . . . . . . . . 50 . HN parsed_1lsi 2
177 1 2 . . . . . . . . . 52 . HB parsed_1lsi 2
178 1 1 . . . . . . . . . 51 . HN parsed_1lsi 2
178 1 2 . . . . . . . . . 51 . HA+ parsed_1lsi 2
179 1 1 . . . . . . . . . 51 . HA+ parsed_1lsi 2
179 1 2 . . . . . . . . . 52 . HN parsed_1lsi 2
180 1 1 . . . . . . . . . 52 . HN parsed_1lsi 2
180 1 2 . . . . . . . . . 52 . HA parsed_1lsi 2
181 1 1 . . . . . . . . . 52 . HG2+ parsed_1lsi 2
181 1 2 . . . . . . . . . 53 . HN parsed_1lsi 2
182 1 1 . . . . . . . . . 53 . HN parsed_1lsi 2
182 1 2 . . . . . . . . . 53 . HB+ parsed_1lsi 2
183 1 1 . . . . . . . . . 53 . HA parsed_1lsi 2
183 1 2 . . . . . . . . . 53 . HG+ parsed_1lsi 2
184 1 1 . . . . . . . . . 53 . HB+ parsed_1lsi 2
184 1 2 . . . . . . . . . 54 . HN parsed_1lsi 2
185 1 1 . . . . . . . . . 54 . HN parsed_1lsi 2
185 1 2 . . . . . . . . . 54 . HA parsed_1lsi 2
186 1 1 . . . . . . . . . 54 . HN parsed_1lsi 2
186 1 2 . . . . . . . . . 54 . HB parsed_1lsi 2
187 1 1 . . . . . . . . . 54 . HN parsed_1lsi 2
187 1 2 . . . . . . . . . 54 . HG2+ parsed_1lsi 2
188 1 1 . . . . . . . . . 54 . HG2+ parsed_1lsi 2
188 1 2 . . . . . . . . . 55 . HN parsed_1lsi 2
189 1 1 . . . . . . . . . 55 . HN parsed_1lsi 2
189 1 2 . . . . . . . . . 55 . HB+ parsed_1lsi 2
190 1 1 . . . . . . . . . 55 . HN parsed_1lsi 2
190 1 2 . . . . . . . . . 55 . HG+ parsed_1lsi 2
191 1 1 . . . . . . . . . 56 . HN parsed_1lsi 2
191 1 2 . . . . . . . . . 56 . HB+ parsed_1lsi 2
192 1 1 . . . . . . . . . 56 . HA parsed_1lsi 2
192 1 2 . . . . . . . . . 56 . HB+ parsed_1lsi 2
193 1 1 . . . . . . . . . 57 . HA parsed_1lsi 2
193 1 2 . . . . . . . . . 59 . HN parsed_1lsi 2
194 1 1 . . . . . . . . . 57 . HB+ parsed_1lsi 2
194 1 2 . . . . . . . . . 58 . HN parsed_1lsi 2
195 1 1 . . . . . . . . . 58 . HN parsed_1lsi 2
195 1 2 . . . . . . . . . 58 . HB+ parsed_1lsi 2
196 1 1 . . . . . . . . . 59 . HN parsed_1lsi 2
196 1 2 . . . . . . . . . 59 . HA parsed_1lsi 2
197 1 1 . . . . . . . . . 59 . HN parsed_1lsi 2
197 1 2 . . . . . . . . . 60 . HN parsed_1lsi 2
198 1 1 . . . . . . . . . 60 . HA parsed_1lsi 2
198 1 2 . . . . . . . . . 60 . HB1 parsed_1lsi 2
199 1 1 . . . . . . . . . 61 . HN parsed_1lsi 2
199 1 2 . . . . . . . . . 61 . HG+ parsed_1lsi 2
200 1 1 . . . . . . . . . 61 . HA parsed_1lsi 2
200 1 2 . . . . . . . . . 61 . HG1 parsed_1lsi 2
201 1 1 . . . . . . . . . 62 . HN parsed_1lsi 2
201 1 2 . . . . . . . . . 62 . HB+ parsed_1lsi 2
202 1 1 . . . . . . . . . 62 . HA parsed_1lsi 2
202 1 2 . . . . . . . . . 62 . HB+ parsed_1lsi 2
203 1 1 . . . . . . . . . 62 . HA parsed_1lsi 2
203 1 2 . . . . . . . . . 63 . HN parsed_1lsi 2
204 1 1 . . . . . . . . . 62 . HB+ parsed_1lsi 2
204 1 2 . . . . . . . . . 63 . HN parsed_1lsi 2
205 1 1 . . . . . . . . . 63 . HN parsed_1lsi 2
205 1 2 . . . . . . . . . 63 . HB1 parsed_1lsi 2
206 1 1 . . . . . . . . . 63 . HN parsed_1lsi 2
206 1 2 . . . . . . . . . 63 . HB2 parsed_1lsi 2
207 1 1 . . . . . . . . . 63 . HN parsed_1lsi 2
207 1 2 . . . . . . . . . 64 . HN parsed_1lsi 2
208 1 1 . . . . . . . . . 65 . HN parsed_1lsi 2
208 1 2 . . . . . . . . . 65 . HB1 parsed_1lsi 2
209 1 1 . . . . . . . . . 65 . HA parsed_1lsi 2
209 1 2 . . . . . . . . . 66 . HD+ parsed_1lsi 2
210 1 1 . . . . . . . . . 66 . HG+ parsed_1lsi 2
210 1 2 . . . . . . . . . 66 . HD+ parsed_1lsi 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 . . . . . 3.05 2.20 3.90 parsed_1lsi 2
2 1 . . . . . 3.15 2.20 4.10 parsed_1lsi 2
3 1 . . . . . 3.05 2.20 3.90 parsed_1lsi 2
4 1 . . . . . 3.40 2.20 4.60 parsed_1lsi 2
5 1 . . . . . 3.30 2.20 4.40 parsed_1lsi 2
6 1 . . . . . 3.20 2.20 4.20 parsed_1lsi 2
7 1 . . . . . 2.70 2.20 3.20 parsed_1lsi 2
8 1 . . . . . 3.20 2.20 4.20 parsed_1lsi 2
9 1 . . . . . 3.35 2.20 4.50 parsed_1lsi 2
10 1 . . . . . 2.85 2.20 3.50 parsed_1lsi 2
11 1 . . . . . 3.10 2.20 4.00 parsed_1lsi 2
12 1 . . . . . 2.80 2.20 3.40 parsed_1lsi 2
13 1 . . . . . 3.15 2.20 4.10 parsed_1lsi 2
14 1 . . . . . 3.10 2.20 4.00 parsed_1lsi 2
15 1 . . . . . 2.80 2.20 3.40 parsed_1lsi 2
16 1 . . . . . 3.25 2.20 4.30 parsed_1lsi 2
17 1 . . . . . 3.15 2.20 4.10 parsed_1lsi 2
18 1 . . . . . 2.75 2.20 3.30 parsed_1lsi 2
19 1 . . . . . 3.40 2.20 4.60 parsed_1lsi 2
20 1 . . . . . 3.10 2.20 4.00 parsed_1lsi 2
21 1 . . . . . 2.90 2.20 3.60 parsed_1lsi 2
22 1 . . . . . 2.75 2.20 3.30 parsed_1lsi 2
23 1 . . . . . 2.70 2.20 3.20 parsed_1lsi 2
24 1 . . . . . 3.35 2.20 4.50 parsed_1lsi 2
25 1 . . . . . 3.45 2.20 4.70 parsed_1lsi 2
26 1 . . . . . 3.45 2.20 4.70 parsed_1lsi 2
27 1 . . . . . 3.10 2.20 4.00 parsed_1lsi 2
28 1 . . . . . 3.35 2.20 4.50 parsed_1lsi 2
29 1 . . . . . 3.10 2.20 4.00 parsed_1lsi 2
30 1 . . . . . 3.25 2.20 4.30 parsed_1lsi 2
31 1 . . . . . 2.80 2.20 3.40 parsed_1lsi 2
32 1 . . . . . 2.90 2.20 3.60 parsed_1lsi 2
33 1 . . . . . 2.80 2.20 3.40 parsed_1lsi 2
34 1 . . . . . 3.35 2.20 4.50 parsed_1lsi 2
35 1 . . . . . 3.20 2.20 4.20 parsed_1lsi 2
36 1 . . . . . 2.75 2.20 3.30 parsed_1lsi 2
37 1 . . . . . 2.80 2.20 3.40 parsed_1lsi 2
38 1 . . . . . 3.05 2.20 3.90 parsed_1lsi 2
39 1 . . . . . 2.85 2.20 4.50 parsed_1lsi 2
40 1 . . . . . 3.15 2.20 4.10 parsed_1lsi 2
41 1 . . . . . 3.35 2.20 4.50 parsed_1lsi 2
42 1 . . . . . 2.70 2.20 3.20 parsed_1lsi 2
43 1 . . . . . 2.80 2.20 3.40 parsed_1lsi 2
44 1 . . . . . 2.95 2.20 3.70 parsed_1lsi 2
45 1 . . . . . 2.75 2.20 3.30 parsed_1lsi 2
46 1 . . . . . 2.90 2.20 3.60 parsed_1lsi 2
47 1 . . . . . 3.35 2.20 4.50 parsed_1lsi 2
48 1 . . . . . 2.70 2.20 3.20 parsed_1lsi 2
49 1 . . . . . 2.80 2.20 3.40 parsed_1lsi 2
50 1 . . . . . 3.15 2.20 4.10 parsed_1lsi 2
51 1 . . . . . 3.10 2.20 4.00 parsed_1lsi 2
52 1 . . . . . 3.30 2.20 4.40 parsed_1lsi 2
53 1 . . . . . 3.25 2.20 4.30 parsed_1lsi 2
54 1 . . . . . 2.75 2.20 3.30 parsed_1lsi 2
55 1 . . . . . 2.95 2.20 3.70 parsed_1lsi 2
56 1 . . . . . 3.25 2.20 4.30 parsed_1lsi 2
57 1 . . . . . 3.05 2.20 3.90 parsed_1lsi 2
58 1 . . . . . 3.40 2.20 4.60 parsed_1lsi 2
59 1 . . . . . 2.70 2.20 3.20 parsed_1lsi 2
60 1 . . . . . 3.25 2.20 4.30 parsed_1lsi 2
61 1 . . . . . 2.70 2.20 3.20 parsed_1lsi 2
62 1 . . . . . 3.15 2.20 4.10 parsed_1lsi 2
63 1 . . . . . 3.25 2.20 4.30 parsed_1lsi 2
64 1 . . . . . 2.75 2.20 3.30 parsed_1lsi 2
65 1 . . . . . 2.80 2.20 3.40 parsed_1lsi 2
66 1 . . . . . 2.85 2.20 3.50 parsed_1lsi 2
67 1 . . . . . 2.85 2.20 3.50 parsed_1lsi 2
68 1 . . . . . 3.00 2.20 3.80 parsed_1lsi 2
69 1 . . . . . 3.10 2.20 4.00 parsed_1lsi 2
70 1 . . . . . 2.85 2.20 3.50 parsed_1lsi 2
71 1 . . . . . 2.70 2.20 3.20 parsed_1lsi 2
72 1 . . . . . 2.90 2.20 3.60 parsed_1lsi 2
73 1 . . . . . 2.70 2.20 3.20 parsed_1lsi 2
74 1 . . . . . 3.10 2.20 4.00 parsed_1lsi 2
75 1 . . . . . 3.15 2.20 4.10 parsed_1lsi 2
76 1 . . . . . 3.10 2.20 4.00 parsed_1lsi 2
77 1 . . . . . 2.85 2.20 3.50 parsed_1lsi 2
78 1 . . . . . 3.05 2.20 3.90 parsed_1lsi 2
79 1 . . . . . 2.70 2.20 3.20 parsed_1lsi 2
80 1 . . . . . 2.90 2.20 3.60 parsed_1lsi 2
81 1 . . . . . 2.85 2.20 3.50 parsed_1lsi 2
82 1 . . . . . 2.95 2.20 3.70 parsed_1lsi 2
83 1 . . . . . 3.00 2.20 3.80 parsed_1lsi 2
84 1 . . . . . 2.95 2.20 3.70 parsed_1lsi 2
85 1 . . . . . 3.15 2.20 4.10 parsed_1lsi 2
86 1 . . . . . 2.80 2.20 3.40 parsed_1lsi 2
87 1 . . . . . 3.10 2.20 4.00 parsed_1lsi 2
88 1 . . . . . 2.90 2.20 3.60 parsed_1lsi 2
89 1 . . . . . 3.45 2.20 4.70 parsed_1lsi 2
90 1 . . . . . 3.15 2.20 4.10 parsed_1lsi 2
91 1 . . . . . 3.05 2.20 3.90 parsed_1lsi 2
92 1 . . . . . 2.95 2.20 3.70 parsed_1lsi 2
93 1 . . . . . 3.45 2.20 4.70 parsed_1lsi 2
94 1 . . . . . 2.80 2.20 3.40 parsed_1lsi 2
95 1 . . . . . 2.85 2.20 3.50 parsed_1lsi 2
96 1 . . . . . 3.35 2.20 4.50 parsed_1lsi 2
97 1 . . . . . 3.35 2.20 4.50 parsed_1lsi 2
98 1 . . . . . 3.10 2.20 4.00 parsed_1lsi 2
99 1 . . . . . 3.40 2.20 4.60 parsed_1lsi 2
100 1 . . . . . 3.20 2.20 4.20 parsed_1lsi 2
101 1 . . . . . 2.70 2.20 3.20 parsed_1lsi 2
102 1 . . . . . 3.00 2.20 3.80 parsed_1lsi 2
103 1 . . . . . 3.15 2.20 4.10 parsed_1lsi 2
104 1 . . . . . 2.70 2.20 3.20 parsed_1lsi 2
105 1 . . . . . 3.05 2.20 3.90 parsed_1lsi 2
106 1 . . . . . 2.90 2.20 3.60 parsed_1lsi 2
107 1 . . . . . 3.20 2.20 4.20 parsed_1lsi 2
108 1 . . . . . 2.70 2.20 3.70 parsed_1lsi 2
109 1 . . . . . 2.95 2.20 3.70 parsed_1lsi 2
110 1 . . . . . 2.85 2.20 3.50 parsed_1lsi 2
111 1 . . . . . 2.85 2.20 3.50 parsed_1lsi 2
112 1 . . . . . 3.10 2.20 4.00 parsed_1lsi 2
113 1 . . . . . 2.80 2.20 3.40 parsed_1lsi 2
114 1 . . . . . 2.70 2.20 3.20 parsed_1lsi 2
115 1 . . . . . 2.80 2.20 3.40 parsed_1lsi 2
116 1 . . . . . 3.30 2.20 4.40 parsed_1lsi 2
117 1 . . . . . 3.00 2.20 3.80 parsed_1lsi 2
118 1 . . . . . 3.25 2.20 4.30 parsed_1lsi 2
119 1 . . . . . 3.25 2.20 4.30 parsed_1lsi 2
120 1 . . . . . 3.05 2.20 3.90 parsed_1lsi 2
121 1 . . . . . 2.80 2.20 3.40 parsed_1lsi 2
122 1 . . . . . 2.75 2.20 3.30 parsed_1lsi 2
123 1 . . . . . 3.15 2.20 4.10 parsed_1lsi 2
124 1 . . . . . 3.05 2.20 3.90 parsed_1lsi 2
125 1 . . . . . 3.20 2.20 4.20 parsed_1lsi 2
126 1 . . . . . 2.80 2.20 3.40 parsed_1lsi 2
127 1 . . . . . 3.15 2.20 4.10 parsed_1lsi 2
128 1 . . . . . 3.05 2.20 3.90 parsed_1lsi 2
129 1 . . . . . 3.20 2.20 4.20 parsed_1lsi 2
130 1 . . . . . 3.30 2.20 4.40 parsed_1lsi 2
131 1 . . . . . 3.30 2.20 4.40 parsed_1lsi 2
132 1 . . . . . 2.75 2.20 3.30 parsed_1lsi 2
133 1 . . . . . 2.80 2.20 3.40 parsed_1lsi 2
134 1 . . . . . 3.35 2.20 4.50 parsed_1lsi 2
135 1 . . . . . 2.95 2.20 3.70 parsed_1lsi 2
136 1 . . . . . 3.40 2.20 4.60 parsed_1lsi 2
137 1 . . . . . 3.15 2.20 4.10 parsed_1lsi 2
138 1 . . . . . 2.85 2.20 3.50 parsed_1lsi 2
139 1 . . . . . 2.80 2.20 3.40 parsed_1lsi 2
140 1 . . . . . 3.00 2.20 3.80 parsed_1lsi 2
141 1 . . . . . 3.20 2.20 4.20 parsed_1lsi 2
142 1 . . . . . 2.70 2.20 3.20 parsed_1lsi 2
143 1 . . . . . 2.85 2.20 3.50 parsed_1lsi 2
144 1 . . . . . 2.95 2.20 3.70 parsed_1lsi 2
145 1 . . . . . 3.30 2.20 4.40 parsed_1lsi 2
146 1 . . . . . 2.85 2.20 3.50 parsed_1lsi 2
147 1 . . . . . 2.70 2.20 3.20 parsed_1lsi 2
148 1 . . . . . 3.25 2.20 4.30 parsed_1lsi 2
149 1 . . . . . 3.40 2.20 4.60 parsed_1lsi 2
150 1 . . . . . 3.20 2.20 4.20 parsed_1lsi 2
151 1 . . . . . 3.45 2.20 4.70 parsed_1lsi 2
152 1 . . . . . 3.20 2.20 4.20 parsed_1lsi 2
153 1 . . . . . 3.40 2.20 4.60 parsed_1lsi 2
154 1 . . . . . 3.10 2.20 4.00 parsed_1lsi 2
155 1 . . . . . 2.90 2.20 3.60 parsed_1lsi 2
156 1 . . . . . 2.80 2.20 3.40 parsed_1lsi 2
157 1 . . . . . 2.70 2.20 3.20 parsed_1lsi 2
158 1 . . . . . 3.25 2.20 4.30 parsed_1lsi 2
159 1 . . . . . 3.05 2.20 3.90 parsed_1lsi 2
160 1 . . . . . 3.10 2.20 4.00 parsed_1lsi 2
161 1 . . . . . 2.75 2.20 3.30 parsed_1lsi 2
162 1 . . . . . 3.00 2.20 3.80 parsed_1lsi 2
163 1 . . . . . 3.25 2.20 4.30 parsed_1lsi 2
164 1 . . . . . 2.85 2.20 3.50 parsed_1lsi 2
165 1 . . . . . 3.10 2.20 4.00 parsed_1lsi 2
166 1 . . . . . 2.95 2.20 3.70 parsed_1lsi 2
167 1 . . . . . 2.95 2.20 3.70 parsed_1lsi 2
168 1 . . . . . 3.35 2.30 4.40 parsed_1lsi 2
169 1 . . . . . 3.45 2.20 4.70 parsed_1lsi 2
170 1 . . . . . 3.90 2.75 5.05 parsed_1lsi 2
171 1 . . . . . 2.80 2.20 3.40 parsed_1lsi 2
172 1 . . . . . 2.70 2.20 3.20 parsed_1lsi 2
173 1 . . . . . 2.70 2.20 3.20 parsed_1lsi 2
174 1 . . . . . 3.25 2.20 4.30 parsed_1lsi 2
175 1 . . . . . 2.75 2.20 3.30 parsed_1lsi 2
176 1 . . . . . 2.75 2.20 3.30 parsed_1lsi 2
177 1 . . . . . 2.85 2.20 3.50 parsed_1lsi 2
178 1 . . . . . 2.90 2.20 3.60 parsed_1lsi 2
179 1 . . . . . 3.45 2.20 4.70 parsed_1lsi 2
180 1 . . . . . 2.85 2.20 3.50 parsed_1lsi 2
181 1 . . . . . 3.25 2.20 4.30 parsed_1lsi 2
182 1 . . . . . 3.25 2.20 4.30 parsed_1lsi 2
183 1 . . . . . 3.15 2.20 4.10 parsed_1lsi 2
184 1 . . . . . 3.30 2.20 4.40 parsed_1lsi 2
185 1 . . . . . 2.80 2.20 3.40 parsed_1lsi 2
186 1 . . . . . 2.80 2.20 3.40 parsed_1lsi 2
187 1 . . . . . 3.00 2.20 3.80 parsed_1lsi 2
188 1 . . . . . 3.40 2.20 4.60 parsed_1lsi 2
189 1 . . . . . 2.80 2.20 3.40 parsed_1lsi 2
190 1 . . . . . 3.10 2.20 4.00 parsed_1lsi 2
191 1 . . . . . 2.80 2.20 3.40 parsed_1lsi 2
192 1 . . . . . 3.40 2.20 4.60 parsed_1lsi 2
193 1 . . . . . 2.95 2.20 3.70 parsed_1lsi 2
194 1 . . . . . 3.25 2.20 4.30 parsed_1lsi 2
195 1 . . . . . 3.20 2.20 4.20 parsed_1lsi 2
196 1 . . . . . 2.70 2.20 3.20 parsed_1lsi 2
197 1 . . . . . 2.90 2.20 3.60 parsed_1lsi 2
198 1 . . . . . 2.80 2.20 3.40 parsed_1lsi 2
199 1 . . . . . 3.05 2.20 4.50 parsed_1lsi 2
200 1 . . . . . 2.85 2.20 3.50 parsed_1lsi 2
201 1 . . . . . 2.75 2.20 3.30 parsed_1lsi 2
202 1 . . . . . 3.10 2.20 4.00 parsed_1lsi 2
203 1 . . . . . 3.30 2.20 4.40 parsed_1lsi 2
204 1 . . . . . 3.45 2.20 4.70 parsed_1lsi 2
205 1 . . . . . 2.95 2.20 3.70 parsed_1lsi 2
206 1 . . . . . 2.70 2.20 3.20 parsed_1lsi 2
207 1 . . . . . 3.05 2.20 3.90 parsed_1lsi 2
208 1 . . . . . 2.75 2.20 3.30 parsed_1lsi 2
209 1 . . . . . 2.95 2.20 3.70 parsed_1lsi 2
210 1 . . . . . 3.40 2.20 4.60 parsed_1lsi 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 "assign (resid 35 and name HN ) (resid 37 and name HB1 ) 2.85 0.65 0.65" 131 1 131 1 parsed_1lsi 2
stop_
save_
save_MR_file_comment_5
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1lsi
_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
;
classification WEAK
;
save_
save_CNS/XPLOR_distance_constraints_6
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1lsi
_Distance_constraint_list.ID 3
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 6
_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_1lsi 3
2 1 . . . parsed_1lsi 3
3 1 . . . parsed_1lsi 3
4 1 . . . parsed_1lsi 3
5 1 . . . parsed_1lsi 3
6 1 . . . parsed_1lsi 3
7 1 . . . parsed_1lsi 3
8 1 . . . parsed_1lsi 3
9 1 . . . parsed_1lsi 3
10 1 . . . parsed_1lsi 3
11 1 . . . parsed_1lsi 3
12 1 . . . parsed_1lsi 3
13 1 . . . parsed_1lsi 3
14 1 . . . parsed_1lsi 3
15 1 . . . parsed_1lsi 3
16 1 . . . parsed_1lsi 3
17 1 . . . parsed_1lsi 3
18 1 . . . parsed_1lsi 3
19 1 . . . parsed_1lsi 3
20 1 . . . parsed_1lsi 3
21 1 . . . parsed_1lsi 3
22 1 . . . parsed_1lsi 3
23 1 . . . parsed_1lsi 3
24 1 . . . parsed_1lsi 3
25 1 . . . parsed_1lsi 3
26 1 . . . parsed_1lsi 3
27 1 . . . parsed_1lsi 3
28 1 . . . parsed_1lsi 3
29 1 . . . parsed_1lsi 3
30 1 . . . parsed_1lsi 3
31 1 . . . parsed_1lsi 3
32 1 . . . parsed_1lsi 3
33 1 . . . parsed_1lsi 3
34 1 . . . parsed_1lsi 3
35 1 . . . parsed_1lsi 3
36 1 . . . parsed_1lsi 3
37 1 . . . parsed_1lsi 3
38 1 . . . parsed_1lsi 3
39 1 . . . parsed_1lsi 3
40 1 . . . parsed_1lsi 3
41 1 . . . parsed_1lsi 3
42 1 . . . parsed_1lsi 3
43 1 . . . parsed_1lsi 3
44 1 . . . parsed_1lsi 3
45 1 . . . parsed_1lsi 3
46 1 . . . parsed_1lsi 3
47 1 . . . parsed_1lsi 3
48 1 . . . parsed_1lsi 3
49 1 . . . parsed_1lsi 3
50 1 . . . parsed_1lsi 3
51 1 . . . parsed_1lsi 3
52 1 . . . parsed_1lsi 3
53 1 . . . parsed_1lsi 3
54 1 . . . parsed_1lsi 3
55 1 . . . parsed_1lsi 3
56 1 . . . parsed_1lsi 3
57 1 . . . parsed_1lsi 3
58 1 . . . parsed_1lsi 3
59 1 . . . parsed_1lsi 3
60 1 . . . parsed_1lsi 3
61 1 . . . parsed_1lsi 3
62 1 . . . parsed_1lsi 3
63 1 . . . parsed_1lsi 3
64 1 . . . parsed_1lsi 3
65 1 . . . parsed_1lsi 3
66 1 . . . parsed_1lsi 3
67 1 . . . parsed_1lsi 3
68 1 . . . parsed_1lsi 3
69 1 . . . parsed_1lsi 3
70 1 . . . parsed_1lsi 3
71 1 . . . parsed_1lsi 3
72 1 . . . parsed_1lsi 3
73 1 . . . parsed_1lsi 3
74 1 . . . parsed_1lsi 3
75 1 . . . parsed_1lsi 3
76 1 . . . parsed_1lsi 3
77 1 . . . parsed_1lsi 3
78 1 . . . parsed_1lsi 3
79 1 . . . parsed_1lsi 3
80 1 . . . parsed_1lsi 3
81 1 . . . parsed_1lsi 3
82 1 . . . parsed_1lsi 3
83 1 . . . parsed_1lsi 3
84 1 . . . parsed_1lsi 3
85 1 . . . parsed_1lsi 3
86 1 . . . parsed_1lsi 3
87 1 . . . parsed_1lsi 3
88 1 . . . parsed_1lsi 3
89 1 . . . parsed_1lsi 3
90 1 . . . parsed_1lsi 3
91 1 . . . parsed_1lsi 3
92 1 . . . parsed_1lsi 3
93 1 . . . parsed_1lsi 3
94 1 . . . parsed_1lsi 3
95 1 . . . parsed_1lsi 3
96 1 . . . parsed_1lsi 3
97 1 . . . parsed_1lsi 3
98 1 . . . parsed_1lsi 3
99 1 . . . parsed_1lsi 3
100 1 . . . parsed_1lsi 3
101 1 . . . parsed_1lsi 3
102 1 . . . parsed_1lsi 3
103 1 . . . parsed_1lsi 3
104 1 . . . parsed_1lsi 3
105 1 . . . parsed_1lsi 3
106 1 . . . parsed_1lsi 3
107 1 . . . parsed_1lsi 3
108 1 . . . parsed_1lsi 3
109 1 . . . parsed_1lsi 3
110 1 . . . parsed_1lsi 3
111 1 . . . parsed_1lsi 3
112 1 . . . parsed_1lsi 3
113 1 . . . parsed_1lsi 3
114 1 . . . parsed_1lsi 3
115 1 . . . parsed_1lsi 3
116 1 . . . parsed_1lsi 3
117 1 . . . parsed_1lsi 3
118 1 . . . parsed_1lsi 3
119 1 . . . parsed_1lsi 3
120 1 . . . parsed_1lsi 3
121 1 . . . parsed_1lsi 3
122 1 . . . parsed_1lsi 3
123 1 . . . parsed_1lsi 3
124 1 . . . parsed_1lsi 3
125 1 . . . parsed_1lsi 3
126 1 . . . parsed_1lsi 3
127 1 . . . parsed_1lsi 3
128 1 . . . parsed_1lsi 3
129 1 . . . parsed_1lsi 3
130 1 . . . parsed_1lsi 3
131 1 . . . parsed_1lsi 3
132 1 . . . parsed_1lsi 3
133 1 . . . parsed_1lsi 3
134 1 . . . parsed_1lsi 3
135 1 . . . parsed_1lsi 3
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 1 . HT+ parsed_1lsi 3
1 1 2 . . . . . . . . . 1 . HD+ parsed_1lsi 3
2 1 1 . . . . . . . . . 1 . HG+ parsed_1lsi 3
2 1 2 . . . . . . . . . 12 . HN parsed_1lsi 3
3 1 1 . . . . . . . . . 2 . HA parsed_1lsi 3
3 1 2 . . . . . . . . . 2 . HB+ parsed_1lsi 3
4 1 1 . . . . . . . . . 2 . HB+ parsed_1lsi 3
4 1 2 . . . . . . . . . 2 . HG+ parsed_1lsi 3
5 1 1 . . . . . . . . . 3 . HN parsed_1lsi 3
5 1 2 . . . . . . . . . 4 . CG parsed_1lsi 3
6 1 1 . . . . . . . . . 3 . HN parsed_1lsi 3
6 1 2 . . . . . . . . . 10 . HG2+ parsed_1lsi 3
7 1 1 . . . . . . . . . 3 . HA parsed_1lsi 3
7 1 2 . . . . . . . . . 4 . CG parsed_1lsi 3
8 1 1 . . . . . . . . . 3 . HB1 parsed_1lsi 3
8 1 2 . . . . . . . . . 4 . CG parsed_1lsi 3
9 1 1 . . . . . . . . . 4 . HN parsed_1lsi 3
9 1 2 . . . . . . . . . 4 . CG parsed_1lsi 3
10 1 1 . . . . . . . . . 4 . HB+ parsed_1lsi 3
10 1 2 . . . . . . . . . 4 . CG parsed_1lsi 3
11 1 1 . . . . . . . . . 4 . HB+ parsed_1lsi 3
11 1 2 . . . . . . . . . 4 . CZ parsed_1lsi 3
12 1 1 . . . . . . . . . 4 . CG parsed_1lsi 3
12 1 2 . . . . . . . . . 4 . CZ parsed_1lsi 3
13 1 1 . . . . . . . . . 4 . CG parsed_1lsi 3
13 1 2 . . . . . . . . . 10 . HG2+ parsed_1lsi 3
14 1 1 . . . . . . . . . 4 . CZ parsed_1lsi 3
14 1 2 . . . . . . . . . 10 . HG2+ parsed_1lsi 3
15 1 1 . . . . . . . . . 5 . HN parsed_1lsi 3
15 1 2 . . . . . . . . . 5 . HB2 parsed_1lsi 3
16 1 1 . . . . . . . . . 5 . HN parsed_1lsi 3
16 1 2 . . . . . . . . . 5 . HD2+ parsed_1lsi 3
17 1 1 . . . . . . . . . 5 . HN parsed_1lsi 3
17 1 2 . . . . . . . . . 10 . HG2+ parsed_1lsi 3
18 1 1 . . . . . . . . . 5 . HA parsed_1lsi 3
18 1 2 . . . . . . . . . 5 . HD2+ parsed_1lsi 3
19 1 1 . . . . . . . . . 5 . HB1 parsed_1lsi 3
19 1 2 . . . . . . . . . 10 . HG2+ parsed_1lsi 3
20 1 1 . . . . . . . . . 5 . HB2 parsed_1lsi 3
20 1 2 . . . . . . . . . 5 . HD2+ parsed_1lsi 3
21 1 1 . . . . . . . . . 6 . HD2+ parsed_1lsi 3
21 1 2 . . . . . . . . . 39 . HN parsed_1lsi 3
22 1 1 . . . . . . . . . 7 . HG+ parsed_1lsi 3
22 1 2 . . . . . . . . . 7 . HD+ parsed_1lsi 3
23 1 1 . . . . . . . . . 8 . HE1 parsed_1lsi 3
23 1 2 . . . . . . . . . 35 . HB+ parsed_1lsi 3
24 1 1 . . . . . . . . . 8 . HE1 parsed_1lsi 3
24 1 2 . . . . . . . . . 37 . HD2+ parsed_1lsi 3
25 1 1 . . . . . . . . . 10 . HN parsed_1lsi 3
25 1 2 . . . . . . . . . 10 . HG2+ parsed_1lsi 3
26 1 1 . . . . . . . . . 10 . HG2+ parsed_1lsi 3
26 1 2 . . . . . . . . . 11 . HN parsed_1lsi 3
27 1 1 . . . . . . . . . 10 . HG2+ parsed_1lsi 3
27 1 2 . . . . . . . . . 38 . HB+ parsed_1lsi 3
28 1 1 . . . . . . . . . 11 . HB+ parsed_1lsi 3
28 1 2 . . . . . . . . . 11 . HE2+ parsed_1lsi 3
29 1 1 . . . . . . . . . 11 . HG+ parsed_1lsi 3
29 1 2 . . . . . . . . . 11 . HE2+ parsed_1lsi 3
30 1 1 . . . . . . . . . 12 . HN parsed_1lsi 3
30 1 2 . . . . . . . . . 12 . HG2+ parsed_1lsi 3
31 1 1 . . . . . . . . . 14 . HB+ parsed_1lsi 3
31 1 2 . . . . . . . . . 14 . HD+ parsed_1lsi 3
32 1 1 . . . . . . . . . 14 . HG+ parsed_1lsi 3
32 1 2 . . . . . . . . . 14 . HD+ parsed_1lsi 3
33 1 1 . . . . . . . . . 15 . HN parsed_1lsi 3
33 1 2 . . . . . . . . . 15 . HB+ parsed_1lsi 3
34 1 1 . . . . . . . . . 17 . HA parsed_1lsi 3
34 1 2 . . . . . . . . . 17 . HB+ parsed_1lsi 3
35 1 1 . . . . . . . . . 17 . HB+ parsed_1lsi 3
35 1 2 . . . . . . . . . 17 . HG+ parsed_1lsi 3
36 1 1 . . . . . . . . . 17 . HB+ parsed_1lsi 3
36 1 2 . . . . . . . . . 19 . HN parsed_1lsi 3
37 1 1 . . . . . . . . . 17 . HG+ parsed_1lsi 3
37 1 2 . . . . . . . . . 18 . HN parsed_1lsi 3
38 1 1 . . . . . . . . . 19 . HN parsed_1lsi 3
38 1 2 . . . . . . . . . 19 . HG2+ parsed_1lsi 3
39 1 1 . . . . . . . . . 19 . HN parsed_1lsi 3
39 1 2 . . . . . . . . . 19 . HD1+ parsed_1lsi 3
40 1 1 . . . . . . . . . 19 . HN parsed_1lsi 3
40 1 2 . . . . . . . . . 42 . HB+ parsed_1lsi 3
41 1 1 . . . . . . . . . 19 . HG2+ parsed_1lsi 3
41 1 2 . . . . . . . . . 42 . HN parsed_1lsi 3
42 1 1 . . . . . . . . . 19 . HG2+ parsed_1lsi 3
42 1 2 . . . . . . . . . 43 . HN parsed_1lsi 3
43 1 1 . . . . . . . . . 19 . HG1+ parsed_1lsi 3
43 1 2 . . . . . . . . . 20 . HN parsed_1lsi 3
44 1 1 . . . . . . . . . 19 . HG1+ parsed_1lsi 3
44 1 2 . . . . . . . . . 42 . HN parsed_1lsi 3
45 1 1 . . . . . . . . . 19 . HG1+ parsed_1lsi 3
45 1 2 . . . . . . . . . 43 . HN parsed_1lsi 3
46 1 1 . . . . . . . . . 19 . HD1+ parsed_1lsi 3
46 1 2 . . . . . . . . . 20 . HN parsed_1lsi 3
47 1 1 . . . . . . . . . 19 . HD1+ parsed_1lsi 3
47 1 2 . . . . . . . . . 43 . HN parsed_1lsi 3
48 1 1 . . . . . . . . . 20 . HA parsed_1lsi 3
48 1 2 . . . . . . . . . 42 . HN parsed_1lsi 3
49 1 1 . . . . . . . . . 21 . HN parsed_1lsi 3
49 1 2 . . . . . . . . . 21 . CZ parsed_1lsi 3
50 1 1 . . . . . . . . . 21 . HB+ parsed_1lsi 3
50 1 2 . . . . . . . . . 21 . CZ parsed_1lsi 3
51 1 1 . . . . . . . . . 21 . CG parsed_1lsi 3
51 1 2 . . . . . . . . . 22 . HG1+ parsed_1lsi 3
52 1 1 . . . . . . . . . 21 . CG parsed_1lsi 3
52 1 2 . . . . . . . . . 54 . HG2+ parsed_1lsi 3
53 1 1 . . . . . . . . . 21 . CG parsed_1lsi 3
53 1 2 . . . . . . . . . 55 . HN parsed_1lsi 3
54 1 1 . . . . . . . . . 21 . HD2 parsed_1lsi 3
54 1 2 . . . . . . . . . 22 . HG1+ parsed_1lsi 3
55 1 1 . . . . . . . . . 21 . CZ parsed_1lsi 3
55 1 2 . . . . . . . . . 22 . HN parsed_1lsi 3
56 1 1 . . . . . . . . . 21 . CZ parsed_1lsi 3
56 1 2 . . . . . . . . . 22 . HA parsed_1lsi 3
57 1 1 . . . . . . . . . 21 . CZ parsed_1lsi 3
57 1 2 . . . . . . . . . 23 . HN parsed_1lsi 3
58 1 1 . . . . . . . . . 21 . CZ parsed_1lsi 3
58 1 2 . . . . . . . . . 23 . HB+ parsed_1lsi 3
59 1 1 . . . . . . . . . 21 . CZ parsed_1lsi 3
59 1 2 . . . . . . . . . 40 . HA+ parsed_1lsi 3
60 1 1 . . . . . . . . . 21 . CZ parsed_1lsi 3
60 1 2 . . . . . . . . . 41 . HN parsed_1lsi 3
61 1 1 . . . . . . . . . 22 . HN parsed_1lsi 3
61 1 2 . . . . . . . . . 22 . HG2+ parsed_1lsi 3
62 1 1 . . . . . . . . . 22 . HA parsed_1lsi 3
62 1 2 . . . . . . . . . 22 . HG1+ parsed_1lsi 3
63 1 1 . . . . . . . . . 22 . HA parsed_1lsi 3
63 1 2 . . . . . . . . . 39 . CG parsed_1lsi 3
64 1 1 . . . . . . . . . 22 . HB parsed_1lsi 3
64 1 2 . . . . . . . . . 39 . CG parsed_1lsi 3
65 1 1 . . . . . . . . . 22 . HB parsed_1lsi 3
65 1 2 . . . . . . . . . 39 . CZ parsed_1lsi 3
66 1 1 . . . . . . . . . 22 . HG1+ parsed_1lsi 3
66 1 2 . . . . . . . . . 23 . HN parsed_1lsi 3
67 1 1 . . . . . . . . . 22 . HG1+ parsed_1lsi 3
67 1 2 . . . . . . . . . 39 . CG parsed_1lsi 3
68 1 1 . . . . . . . . . 22 . HG1+ parsed_1lsi 3
68 1 2 . . . . . . . . . 39 . HZ parsed_1lsi 3
69 1 1 . . . . . . . . . 22 . HG1+ parsed_1lsi 3
69 1 2 . . . . . . . . . 59 . HN parsed_1lsi 3
70 1 1 . . . . . . . . . 22 . HG1+ parsed_1lsi 3
70 1 2 . . . . . . . . . 23 . HN parsed_1lsi 3
71 1 1 . . . . . . . . . 22 . HG2+ parsed_1lsi 3
71 1 2 . . . . . . . . . 39 . HZ parsed_1lsi 3
72 1 1 . . . . . . . . . 22 . HG2+ parsed_1lsi 3
72 1 2 . . . . . . . . . 55 . HN parsed_1lsi 3
73 1 1 . . . . . . . . . 23 . HN parsed_1lsi 3
73 1 2 . . . . . . . . . 23 . HG+ parsed_1lsi 3
74 1 1 . . . . . . . . . 23 . HA parsed_1lsi 3
74 1 2 . . . . . . . . . 55 . HN parsed_1lsi 3
75 1 1 . . . . . . . . . 23 . HB+ parsed_1lsi 3
75 1 2 . . . . . . . . . 24 . HN parsed_1lsi 3
76 1 1 . . . . . . . . . 23 . HG+ parsed_1lsi 3
76 1 2 . . . . . . . . . 23 . HD+ parsed_1lsi 3
77 1 1 . . . . . . . . . 24 . HN parsed_1lsi 3
77 1 2 . . . . . . . . . 52 . HG2+ parsed_1lsi 3
78 1 1 . . . . . . . . . 24 . HB+ parsed_1lsi 3
78 1 2 . . . . . . . . . 53 . HB+ parsed_1lsi 3
79 1 1 . . . . . . . . . 24 . HB+ parsed_1lsi 3
79 1 2 . . . . . . . . . 25 . HN parsed_1lsi 3
80 1 1 . . . . . . . . . 25 . HN parsed_1lsi 3
80 1 2 . . . . . . . . . 36 . HG2+ parsed_1lsi 3
81 1 1 . . . . . . . . . 25 . HB+ parsed_1lsi 3
81 1 2 . . . . . . . . . 25 . HD1 parsed_1lsi 3
82 1 1 . . . . . . . . . 25 . HB+ parsed_1lsi 3
82 1 2 . . . . . . . . . 25 . HZ3 parsed_1lsi 3
83 1 1 . . . . . . . . . 25 . HE1 parsed_1lsi 3
83 1 2 . . . . . . . . . 36 . HG2+ parsed_1lsi 3
84 1 1 . . . . . . . . . 25 . HE1 parsed_1lsi 3
84 1 2 . . . . . . . . . 36 . HG1+ parsed_1lsi 3
85 1 1 . . . . . . . . . 25 . HD1 parsed_1lsi 3
85 1 2 . . . . . . . . . 37 . HD* parsed_1lsi 3
86 1 1 . . . . . . . . . 25 . HE3 parsed_1lsi 3
86 1 2 . . . . . . . . . 37 . HD* parsed_1lsi 3
87 1 1 . . . . . . . . . 25 . HE3 parsed_1lsi 3
87 1 2 . . . . . . . . . 53 . HG+ parsed_1lsi 3
88 1 1 . . . . . . . . . 25 . HZ3 parsed_1lsi 3
88 1 2 . . . . . . . . . 52 . HG2+ parsed_1lsi 3
89 1 1 . . . . . . . . . 26 . HA parsed_1lsi 3
89 1 2 . . . . . . . . . 26 . HB+ parsed_1lsi 3
90 1 1 . . . . . . . . . 27 . HN parsed_1lsi 3
90 1 2 . . . . . . . . . 36 . HG2+ parsed_1lsi 3
91 1 1 . . . . . . . . . 27 . HB+ parsed_1lsi 3
91 1 2 . . . . . . . . . 27 . HD2+ parsed_1lsi 3
92 1 1 . . . . . . . . . 27 . HB+ parsed_1lsi 3
92 1 2 . . . . . . . . . 27 . HD2+ parsed_1lsi 3
93 1 1 . . . . . . . . . 27 . HB+ parsed_1lsi 3
93 1 2 . . . . . . . . . 36 . HG2+ parsed_1lsi 3
94 1 1 . . . . . . . . . 27 . HD2+ parsed_1lsi 3
94 1 2 . . . . . . . . . 36 . HG2+ parsed_1lsi 3
95 1 1 . . . . . . . . . 28 . HB+ parsed_1lsi 3
95 1 2 . . . . . . . . . 29 . HN parsed_1lsi 3
96 1 1 . . . . . . . . . 28 . HB+ parsed_1lsi 3
96 1 2 . . . . . . . . . 29 . HD1 parsed_1lsi 3
97 1 1 . . . . . . . . . 30 . HN parsed_1lsi 3
97 1 2 . . . . . . . . . 31 . HB+ parsed_1lsi 3
98 1 1 . . . . . . . . . 33 . HN parsed_1lsi 3
98 1 2 . . . . . . . . . 33 . HG+ parsed_1lsi 3
99 1 1 . . . . . . . . . 33 . HB+ parsed_1lsi 3
99 1 2 . . . . . . . . . 33 . HG+ parsed_1lsi 3
100 1 1 . . . . . . . . . 35 . HB+ parsed_1lsi 3
100 1 2 . . . . . . . . . 37 . HD2+ parsed_1lsi 3
101 1 1 . . . . . . . . . 36 . HN parsed_1lsi 3
101 1 2 . . . . . . . . . 36 . HG1+ parsed_1lsi 3
102 1 1 . . . . . . . . . 36 . HA parsed_1lsi 3
102 1 2 . . . . . . . . . 36 . HG1+ parsed_1lsi 3
103 1 1 . . . . . . . . . 36 . HG2+ parsed_1lsi 3
103 1 2 . . . . . . . . . 37 . HN parsed_1lsi 3
104 1 1 . . . . . . . . . 36 . HG1+ parsed_1lsi 3
104 1 2 . . . . . . . . . 37 . HN parsed_1lsi 3
105 1 1 . . . . . . . . . 37 . HN parsed_1lsi 3
105 1 2 . . . . . . . . . 37 . HD2+ parsed_1lsi 3
106 1 1 . . . . . . . . . 37 . HG parsed_1lsi 3
106 1 2 . . . . . . . . . 37 . HD2+ parsed_1lsi 3
107 1 1 . . . . . . . . . 37 . HD2+ parsed_1lsi 3
107 1 2 . . . . . . . . . 39 . HZ parsed_1lsi 3
108 1 1 . . . . . . . . . 38 . HA parsed_1lsi 3
108 1 2 . . . . . . . . . 38 . HB+ parsed_1lsi 3
109 1 1 . . . . . . . . . 38 . HB+ parsed_1lsi 3
109 1 2 . . . . . . . . . 38 . HG+ parsed_1lsi 3
110 1 1 . . . . . . . . . 38 . HB+ parsed_1lsi 3
110 1 2 . . . . . . . . . 39 . HN parsed_1lsi 3
111 1 1 . . . . . . . . . 39 . HN parsed_1lsi 3
111 1 2 . . . . . . . . . 39 . HB+ parsed_1lsi 3
112 1 1 . . . . . . . . . 39 . HB+ parsed_1lsi 3
112 1 2 . . . . . . . . . 39 . CZ parsed_1lsi 3
113 1 1 . . . . . . . . . 43 . HA parsed_1lsi 3
113 1 2 . . . . . . . . . 44 . HN parsed_1lsi 3
114 1 1 . . . . . . . . . 44 . HG2+ parsed_1lsi 3
114 1 2 . . . . . . . . . 45 . HN parsed_1lsi 3
115 1 1 . . . . . . . . . 46 . HB+ parsed_1lsi 3
115 1 2 . . . . . . . . . 46 . HD+ parsed_1lsi 3
116 1 1 . . . . . . . . . 47 . HN parsed_1lsi 3
116 1 2 . . . . . . . . . 54 . HG2+ parsed_1lsi 3
117 1 1 . . . . . . . . . 48 . HN parsed_1lsi 3
117 1 2 . . . . . . . . . 48 . HG1+ parsed_1lsi 3
118 1 1 . . . . . . . . . 49 . HN parsed_1lsi 3
118 1 2 . . . . . . . . . 50 . HG2+ parsed_1lsi 3
119 1 1 . . . . . . . . . 49 . HB1 parsed_1lsi 3
119 1 2 . . . . . . . . . 49 . HD2+ parsed_1lsi 3
120 1 1 . . . . . . . . . 49 . HB2 parsed_1lsi 3
120 1 2 . . . . . . . . . 49 . HD2+ parsed_1lsi 3
121 1 1 . . . . . . . . . 50 . HG2+ parsed_1lsi 3
121 1 2 . . . . . . . . . 51 . HN parsed_1lsi 3
122 1 1 . . . . . . . . . 52 . HN parsed_1lsi 3
122 1 2 . . . . . . . . . 52 . HG2+ parsed_1lsi 3
123 1 1 . . . . . . . . . 52 . HA parsed_1lsi 3
123 1 2 . . . . . . . . . 52 . HG2+ parsed_1lsi 3
124 1 1 . . . . . . . . . 53 . HN parsed_1lsi 3
124 1 2 . . . . . . . . . 53 . HG+ parsed_1lsi 3
125 1 1 . . . . . . . . . 53 . HG+ parsed_1lsi 3
125 1 2 . . . . . . . . . 54 . HN parsed_1lsi 3
126 1 1 . . . . . . . . . 57 . HN parsed_1lsi 3
126 1 2 . . . . . . . . . 57 . HB+ parsed_1lsi 3
127 1 1 . . . . . . . . . 58 . HA parsed_1lsi 3
127 1 2 . . . . . . . . . 58 . HB+ parsed_1lsi 3
128 1 1 . . . . . . . . . 58 . HB+ parsed_1lsi 3
128 1 2 . . . . . . . . . 59 . HN parsed_1lsi 3
129 1 1 . . . . . . . . . 59 . HN parsed_1lsi 3
129 1 2 . . . . . . . . . 59 . HB+ parsed_1lsi 3
130 1 1 . . . . . . . . . 59 . HN parsed_1lsi 3
130 1 2 . . . . . . . . . 61 . HA parsed_1lsi 3
131 1 1 . . . . . . . . . 59 . HN parsed_1lsi 3
131 1 2 . . . . . . . . . 61 . HG+ parsed_1lsi 3
132 1 1 . . . . . . . . . 59 . HB+ parsed_1lsi 3
132 1 2 . . . . . . . . . 62 . HN parsed_1lsi 3
133 1 1 . . . . . . . . . 61 . HB1 parsed_1lsi 3
133 1 2 . . . . . . . . . 62 . HN parsed_1lsi 3
134 1 1 . . . . . . . . . 63 . HN parsed_1lsi 3
134 1 2 . . . . . . . . . 64 . HG2+ parsed_1lsi 3
135 1 1 . . . . . . . . . 64 . HG2+ parsed_1lsi 3
135 1 2 . . . . . . . . . 65 . HN parsed_1lsi 3
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.50 2.20 4.80 parsed_1lsi 3
2 1 . . . . . 3.65 2.20 5.10 parsed_1lsi 3
3 1 . . . . . 3.55 2.20 4.90 parsed_1lsi 3
4 1 . . . . . 3.70 2.20 5.20 parsed_1lsi 3
5 1 . . . . . 3.75 2.20 5.30 parsed_1lsi 3
6 1 . . . . . 3.85 2.20 5.50 parsed_1lsi 3
7 1 . . . . . 3.85 2.20 5.50 parsed_1lsi 3
8 1 . . . . . 3.65 2.20 5.10 parsed_1lsi 3
9 1 . . . . . 4.25 2.20 6.30 parsed_1lsi 3
10 1 . . . . . 4.15 2.20 6.10 parsed_1lsi 3
11 1 . . . . . 4.60 2.20 7.00 parsed_1lsi 3
12 1 . . . . . 4.70 2.20 7.20 parsed_1lsi 3
13 1 . . . . . 5.10 2.20 8.00 parsed_1lsi 3
14 1 . . . . . 5.10 2.20 8.00 parsed_1lsi 3
15 1 . . . . . 3.60 2.20 5.00 parsed_1lsi 3
16 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
17 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
18 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
19 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
20 1 . . . . . 3.75 2.20 5.30 parsed_1lsi 3
21 1 . . . . . 3.60 2.20 5.00 parsed_1lsi 3
22 1 . . . . . 3.60 2.20 5.00 parsed_1lsi 3
23 1 . . . . . 3.70 2.20 5.20 parsed_1lsi 3
24 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
25 1 . . . . . 3.60 2.20 5.00 parsed_1lsi 3
26 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
27 1 . . . . . 4.60 2.20 7.00 parsed_1lsi 3
28 1 . . . . . 4.60 2.20 7.00 parsed_1lsi 3
29 1 . . . . . 4.45 2.20 6.70 parsed_1lsi 3
30 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
31 1 . . . . . 3.55 2.20 4.90 parsed_1lsi 3
32 1 . . . . . 3.50 2.20 4.80 parsed_1lsi 3
33 1 . . . . . 3.75 2.20 5.30 parsed_1lsi 3
34 1 . . . . . 3.95 2.20 5.70 parsed_1lsi 3
35 1 . . . . . 3.55 2.20 4.90 parsed_1lsi 3
36 1 . . . . . 3.60 2.20 5.00 parsed_1lsi 3
37 1 . . . . . 3.50 2.20 4.80 parsed_1lsi 3
38 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
39 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
40 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
41 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
42 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
43 1 . . . . . 3.85 2.20 5.50 parsed_1lsi 3
44 1 . . . . . 3.90 2.20 5.60 parsed_1lsi 3
45 1 . . . . . 3.55 2.20 4.90 parsed_1lsi 3
46 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
47 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
48 1 . . . . . 3.60 2.20 5.00 parsed_1lsi 3
49 1 . . . . . 3.75 2.20 5.30 parsed_1lsi 3
50 1 . . . . . 4.20 2.20 6.20 parsed_1lsi 3
51 1 . . . . . 5.10 2.20 8.00 parsed_1lsi 3
52 1 . . . . . 4.55 2.20 6.90 parsed_1lsi 3
53 1 . . . . . 3.85 2.20 5.50 parsed_1lsi 3
54 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
55 1 . . . . . 4.00 2.20 5.80 parsed_1lsi 3
56 1 . . . . . 3.95 2.20 5.70 parsed_1lsi 3
57 1 . . . . . 3.80 2.20 5.40 parsed_1lsi 3
58 1 . . . . . 3.60 2.20 5.00 parsed_1lsi 3
59 1 . . . . . 4.45 2.20 6.70 parsed_1lsi 3
60 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
61 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
62 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
63 1 . . . . . 4.60 2.20 7.00 parsed_1lsi 3
64 1 . . . . . 4.00 2.20 5.80 parsed_1lsi 3
65 1 . . . . . 3.75 2.20 5.30 parsed_1lsi 3
66 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
67 1 . . . . . 5.10 2.20 8.00 parsed_1lsi 3
68 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
69 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
70 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
71 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
72 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
73 1 . . . . . 3.50 2.20 4.80 parsed_1lsi 3
74 1 . . . . . 3.60 2.20 5.00 parsed_1lsi 3
75 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
76 1 . . . . . 3.50 2.20 4.80 parsed_1lsi 3
77 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
78 1 . . . . . 3.90 2.20 5.60 parsed_1lsi 3
79 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
80 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
81 1 . . . . . 3.85 2.20 5.50 parsed_1lsi 3
82 1 . . . . . 3.80 2.20 5.40 parsed_1lsi 3
83 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
84 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
85 1 . . . . . 4.10 2.20 6.60 parsed_1lsi 3
86 1 . . . . . 4.10 2.20 6.60 parsed_1lsi 3
87 1 . . . . . 3.85 2.20 5.50 parsed_1lsi 3
88 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
89 1 . . . . . 3.55 2.20 4.90 parsed_1lsi 3
90 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
91 1 . . . . . 3.55 2.20 4.90 parsed_1lsi 3
92 1 . . . . . 4.00 2.20 5.80 parsed_1lsi 3
93 1 . . . . . 4.60 2.20 7.00 parsed_1lsi 3
94 1 . . . . . 4.60 2.20 7.00 parsed_1lsi 3
95 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
96 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
97 1 . . . . . 3.85 2.20 5.50 parsed_1lsi 3
98 1 . . . . . 3.80 2.20 5.40 parsed_1lsi 3
99 1 . . . . . 3.50 2.20 4.80 parsed_1lsi 3
100 1 . . . . . 4.60 2.20 7.00 parsed_1lsi 3
101 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
102 1 . . . . . 3.55 2.20 4.90 parsed_1lsi 3
103 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
104 1 . . . . . 3.70 2.20 5.20 parsed_1lsi 3
105 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
106 1 . . . . . 3.75 2.20 5.30 parsed_1lsi 3
107 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
108 1 . . . . . 3.55 2.20 4.90 parsed_1lsi 3
109 1 . . . . . 3.60 2.20 5.00 parsed_1lsi 3
110 1 . . . . . 3.50 2.20 4.80 parsed_1lsi 3
111 1 . . . . . 3.90 2.20 5.60 parsed_1lsi 3
112 1 . . . . . 4.85 2.20 7.50 parsed_1lsi 3
113 1 . . . . . 3.60 2.20 5.00 parsed_1lsi 3
114 1 . . . . . 3.75 2.20 5.30 parsed_1lsi 3
115 1 . . . . . 3.50 2.20 4.80 parsed_1lsi 3
116 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
117 1 . . . . . 3.70 2.20 5.20 parsed_1lsi 3
118 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
119 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
120 1 . . . . . 3.70 2.20 5.20 parsed_1lsi 3
121 1 . . . . . 3.95 2.20 5.70 parsed_1lsi 3
122 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
123 1 . . . . . 3.70 2.20 5.20 parsed_1lsi 3
124 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
125 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
126 1 . . . . . 3.50 2.20 4.80 parsed_1lsi 3
127 1 . . . . . 3.50 2.20 4.80 parsed_1lsi 3
128 1 . . . . . 3.95 2.20 5.70 parsed_1lsi 3
129 1 . . . . . 3.50 2.20 4.80 parsed_1lsi 3
130 1 . . . . . 3.60 2.20 5.00 parsed_1lsi 3
131 1 . . . . . 3.75 2.20 5.30 parsed_1lsi 3
132 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
133 1 . . . . . 3.60 2.20 5.00 parsed_1lsi 3
134 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
135 1 . . . . . 4.10 2.20 6.00 parsed_1lsi 3
stop_
save_
save_MR_file_comment_7
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1lsi
_Org_constr_file_comment.ID 4
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 7
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
CLASS H_BONDS
;
save_
save_CNS/XPLOR_distance_constraints_8
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1lsi
_Distance_constraint_list.ID 4
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 8
_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_1lsi 4
2 1 . . . parsed_1lsi 4
3 1 . . . parsed_1lsi 4
4 1 . . . parsed_1lsi 4
5 1 . . . parsed_1lsi 4
6 1 . . . parsed_1lsi 4
7 1 . . . parsed_1lsi 4
8 1 . . . parsed_1lsi 4
9 1 . . . parsed_1lsi 4
10 1 . . . parsed_1lsi 4
11 1 . . . parsed_1lsi 4
12 1 . . . parsed_1lsi 4
13 1 . . . parsed_1lsi 4
14 1 . . . parsed_1lsi 4
15 1 . . . parsed_1lsi 4
16 1 . . . parsed_1lsi 4
17 1 . . . parsed_1lsi 4
18 1 . . . parsed_1lsi 4
19 1 . . . parsed_1lsi 4
20 1 . . . parsed_1lsi 4
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 . . . . . . . . . 19 . HN parsed_1lsi 4
1 1 2 . . . . . . . . . 42 . O parsed_1lsi 4
2 1 1 . . . . . . . . . 19 . N parsed_1lsi 4
2 1 2 . . . . . . . . . 42 . O parsed_1lsi 4
3 1 1 . . . . . . . . . 20 . HN parsed_1lsi 4
3 1 2 . . . . . . . . . 57 . O parsed_1lsi 4
4 1 1 . . . . . . . . . 20 . N parsed_1lsi 4
4 1 2 . . . . . . . . . 57 . O parsed_1lsi 4
5 1 1 . . . . . . . . . 21 . HN parsed_1lsi 4
5 1 2 . . . . . . . . . 40 . O parsed_1lsi 4
6 1 1 . . . . . . . . . 21 . N parsed_1lsi 4
6 1 2 . . . . . . . . . 40 . O parsed_1lsi 4
7 1 1 . . . . . . . . . 22 . HN parsed_1lsi 4
7 1 2 . . . . . . . . . 55 . O parsed_1lsi 4
8 1 1 . . . . . . . . . 22 . N parsed_1lsi 4
8 1 2 . . . . . . . . . 55 . O parsed_1lsi 4
9 1 1 . . . . . . . . . 23 . HN parsed_1lsi 4
9 1 2 . . . . . . . . . 38 . O parsed_1lsi 4
10 1 1 . . . . . . . . . 23 . N parsed_1lsi 4
10 1 2 . . . . . . . . . 38 . O parsed_1lsi 4
11 1 1 . . . . . . . . . 24 . HN parsed_1lsi 4
11 1 2 . . . . . . . . . 53 . O parsed_1lsi 4
12 1 1 . . . . . . . . . 24 . N parsed_1lsi 4
12 1 2 . . . . . . . . . 53 . O parsed_1lsi 4
13 1 1 . . . . . . . . . 57 . HN parsed_1lsi 4
13 1 2 . . . . . . . . . 20 . O parsed_1lsi 4
14 1 1 . . . . . . . . . 57 . N parsed_1lsi 4
14 1 2 . . . . . . . . . 20 . O parsed_1lsi 4
15 1 1 . . . . . . . . . 53 . HN parsed_1lsi 4
15 1 2 . . . . . . . . . 24 . O parsed_1lsi 4
16 1 1 . . . . . . . . . 53 . N parsed_1lsi 4
16 1 2 . . . . . . . . . 24 . O parsed_1lsi 4
17 1 1 . . . . . . . . . 42 . HN parsed_1lsi 4
17 1 2 . . . . . . . . . 19 . O parsed_1lsi 4
18 1 1 . . . . . . . . . 42 . N parsed_1lsi 4
18 1 2 . . . . . . . . . 19 . O parsed_1lsi 4
19 1 1 . . . . . . . . . 40 . HN parsed_1lsi 4
19 1 2 . . . . . . . . . 21 . O parsed_1lsi 4
20 1 1 . . . . . . . . . 40 . N parsed_1lsi 4
20 1 2 . . . . . . . . . 21 . O parsed_1lsi 4
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 . . . . . 2.00 1.70 2.30 parsed_1lsi 4
2 1 . . . . . 2.85 2.40 3.30 parsed_1lsi 4
3 1 . . . . . 2.00 1.70 2.30 parsed_1lsi 4
4 1 . . . . . 2.85 2.40 3.30 parsed_1lsi 4
5 1 . . . . . 2.00 1.70 2.30 parsed_1lsi 4
6 1 . . . . . 2.85 2.40 3.30 parsed_1lsi 4
7 1 . . . . . 2.00 1.70 2.30 parsed_1lsi 4
8 1 . . . . . 2.85 2.40 3.30 parsed_1lsi 4
9 1 . . . . . 2.00 1.70 2.30 parsed_1lsi 4
10 1 . . . . . 2.85 2.40 3.30 parsed_1lsi 4
11 1 . . . . . 2.00 1.70 2.30 parsed_1lsi 4
12 1 . . . . . 2.85 2.40 3.30 parsed_1lsi 4
13 1 . . . . . 2.00 1.70 2.30 parsed_1lsi 4
14 1 . . . . . 2.85 2.40 3.30 parsed_1lsi 4
15 1 . . . . . 2.00 1.70 2.30 parsed_1lsi 4
16 1 . . . . . 2.85 2.40 3.30 parsed_1lsi 4
17 1 . . . . . 2.00 1.70 2.30 parsed_1lsi 4
18 1 . . . . . 2.85 2.40 3.30 parsed_1lsi 4
19 1 . . . . . 2.00 1.70 2.30 parsed_1lsi 4
20 1 . . . . . 2.85 2.40 3.30 parsed_1lsi 4
stop_
save_
save_MR_file_comment_9
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1lsi
_Org_constr_file_comment.ID 5
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 9
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
REMARK
REMARK TORSION ANGLE RESTRAINTS
REMARK
REMARK TORSION ANGLE RESTRAINTS WERE DERIVED FROM NOE AND COUPLING
REMARK CONSTANT DATA. THE UPPER AND LOWER BOUNDS ARE GIVEN BY I+J
REMARK AND I-J WHERE THE NUMBERS ARE ENTERED IN THE ORDER H,I,J,K.
REMARK H IS THE FORCE CONSTANT AND K IS THE EXPONENT USED TO
REMARK COMPUTE THE TORSION ANGLE RESTRAIN TARGET FUNCTION
;
save_
save_CNS/XPLOR_dihedral_10
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1lsi
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 10
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -70 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_1lsi 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -70 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_1lsi 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -70 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_1lsi 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -70 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_1lsi 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -70 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_1lsi 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -70 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_1lsi 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -70 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_1lsi 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -70 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_1lsi 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -70 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_1lsi 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -70 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_1lsi 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -70 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_1lsi 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -70 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_1lsi 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -70 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_1lsi 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -70 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_1lsi 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_1lsi 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_1lsi 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -70 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_1lsi 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_1lsi 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -70 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_1lsi 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -70 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_1lsi 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -70 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_1lsi 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -70 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_1lsi 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -70 . . 46 . C . 47 . N . 47 . CA . 47 . C parsed_1lsi 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -70 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_1lsi 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_1lsi 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -70 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_1lsi 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -70 . . 53 . C . 54 . N . 54 . CA . 54 . C parsed_1lsi 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140 -100 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_1lsi 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -70 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_1lsi 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140 -100 . . 60 . C . 61 . N . 61 . CA . 61 . C parsed_1lsi 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -70 . . 62 . C . 63 . N . 63 . CA . 63 . C parsed_1lsi 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 3 . N . 3 . CA . 3 . CB . 3 . SG parsed_1lsi 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 5 . N . 5 . CA . 5 . CB . 5 . CG parsed_1lsi 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 200 . . 13 . N . 13 . CA . 13 . CB . 13 . SG parsed_1lsi 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . . 21 . N . 21 . CA . 21 . CB . 21 . CG parsed_1lsi 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . . 25 . N . 25 . CA . 25 . CB . 25 . CG parsed_1lsi 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 29 . N . 29 . CA . 29 . CB . 29 . CG parsed_1lsi 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 320 . . 37 . N . 37 . CA . 37 . CB . 37 . CG parsed_1lsi 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 200 . . 41 . N . 41 . CA . 41 . CB . 41 . SG parsed_1lsi 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 200 . . 45 . N . 45 . CA . 45 . CB . 45 . SG parsed_1lsi 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 200 . . 49 . N . 49 . CA . 49 . CB . 49 . CG parsed_1lsi 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 200 . . 57 . N . 57 . CA . 57 . CB . 57 . SG parsed_1lsi 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 200 . . 60 . N . 60 . CA . 60 . CB . 60 . CG parsed_1lsi 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . . 63 . N . 63 . CA . 63 . CB . 63 . CG parsed_1lsi 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160 200 . . 65 . N . 65 . CA . 65 . CB . 65 . CG parsed_1lsi 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 "phi angle restraints" 1 1 1 23 parsed_1lsi 1
2 "Chi1 angle restraints" 67 1 67 24 parsed_1lsi 1
stop_
save_
save_MR_file_comment_11
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1lsi
_Org_constr_file_comment.ID 6
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 11
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
REMARK
REMARK J-RESTRAINTS
REMARK COUPLING CONSTANTS WERE DETERMINED BY A LEAST SQUARES FIT OF COUPLING
REMARK CONSTANTS, LINE WIDTHS, AND CHEMICAL SHIFTS TO T2 CROSS-SECTIONS
REMARK IN P.COSY AND DQF-COSY SPECTRA. THE RESTRAINTS ARE DEFINED BY A
REMARK HARMONIC POTENTIAL WHERE THE COUPLING IS GIVEN IN THE FIRST
REMARK COLUMN OF NUMBERS.
REMARK
;
save_
save_MR_file_comment_13
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1lsi
_Org_constr_file_comment.ID 7
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 13
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
!end
;
save_
Contact the webmaster for help, if required. Thursday, May 2, 2024 11:43:01 AM GMT (wattos1)