NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
35351 |
1lcm   |
cing | 2-parsed | STAR | entry | full | 105 |
data_1lcm_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1lcm
_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_1lcm 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1lcm
_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 1lcm "Master copy" parsed_1lcm
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1lcm
_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 1lcm.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1lcm 1
1 1lcm.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 9 parsed_1lcm 1
1 1lcm.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1lcm 1
1 1lcm.mr . . XPLOR/CNS 4 distance NOE simple 96 parsed_1lcm 1
1 1lcm.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1lcm 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_1lcm
_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 CYANOBACTERIAL TOXIN 30-DEC-95 1LCM
*TITLE MICROCYSTIN-LR, NMR, MINIMIZED AVERAGE STRUCTURE
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: CYCLO(-D-ALA-LEU-D-MEASP-ARG-ADDA-D-GLU-MDHA-);
*COMPND 3 CHAIN: NULL;
*COMPND 4 SYNONYM: MICROCYSTIN-LR
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: MICROCYSTIS AERUGINOSA;
*SOURCE 3 STRAIN: FROM A NATURAL BLOOM IN LAKE AKERSVATN, NORWAY
*KEYWDS CYANOBACTERIAL TOXIN
*EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE
*AUTHOR G.TROGEN,J.ZDUNEK
*REVDAT 1 07-DEC-96 1LCM 0
remark dihedral angles restraints for microcystin-LR
remark
constraints
dihedral
nassign=200
;
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1lcm
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . MCLR 2 . C MCLR 3 . N MCLR 3 . CB2 MCLR 3 . CA parsed_1lcm 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 75.0 . MCLR 3 . HB2 MCLR 3 . CB2 MCLR 3 . CA MCLR 3 . HA parsed_1lcm 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -90.0 . MCLR 3 . C MCLR 4 . N MCLR 4 . CA MCLR 4 . C parsed_1lcm 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.0 -65.0 . MCLR 4 . C MCLR 5 . N MCLR 5 . CB1 MCLR 5 . CA parsed_1lcm 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.0 215.0 . MCLR 5 . C MCLR 6 . N MCLR 6 . CG MCLR 6 . CB parsed_1lcm 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.0 175.0 . MCLR 6 . HB1 MCLR 6 . CB MCLR 6 . CA MCLR 6 . HA1 parsed_1lcm 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120 180 . MCLR 6 . HB2 MCLR 6 . CB MCLR 6 . CA MCLR 6 . HA2 parsed_1lcm 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 70.0 . MCLR 6 . HB2 MCLR 6 . CB MCLR 6 . CA MCLR 6 . HA1 parsed_1lcm 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.0 -26.0 . MCLR 6 . HB1 MCLR 6 . CB MCLR 6 . CA MCLR 6 . HA2 parsed_1lcm 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_1lcm
_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
;
scale=1.0
end
end
flags include cdih end
remark noe for microcystin-LR, NOESY spectrum with 160 ms mixingtime
;
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1lcm
_Distance_constraint_list.ID 1
_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_1lcm 1
2 1 . . . parsed_1lcm 1
3 1 . . . parsed_1lcm 1
4 1 . . . parsed_1lcm 1
5 1 . . . parsed_1lcm 1
6 1 . . . parsed_1lcm 1
7 1 . . . parsed_1lcm 1
8 1 . . . parsed_1lcm 1
9 1 . . . parsed_1lcm 1
10 1 . . . parsed_1lcm 1
11 1 . . . parsed_1lcm 1
12 1 . . . parsed_1lcm 1
13 1 . . . parsed_1lcm 1
14 1 . . . parsed_1lcm 1
15 1 . . . parsed_1lcm 1
16 1 . . . parsed_1lcm 1
17 1 . . . parsed_1lcm 1
18 1 . . . parsed_1lcm 1
19 1 . . . parsed_1lcm 1
20 1 . . . parsed_1lcm 1
21 1 . . . parsed_1lcm 1
22 1 . . . parsed_1lcm 1
23 1 . . . parsed_1lcm 1
24 1 . . . parsed_1lcm 1
25 1 . . . parsed_1lcm 1
26 1 . . . parsed_1lcm 1
27 1 . . . parsed_1lcm 1
28 1 . . . parsed_1lcm 1
29 1 . . . parsed_1lcm 1
30 1 . . . parsed_1lcm 1
31 1 . . . parsed_1lcm 1
32 1 . . . parsed_1lcm 1
33 1 . . . parsed_1lcm 1
34 1 . . . parsed_1lcm 1
35 1 . . . parsed_1lcm 1
36 1 . . . parsed_1lcm 1
37 1 . . . parsed_1lcm 1
38 1 . . . parsed_1lcm 1
39 1 . . . parsed_1lcm 1
40 1 . . . parsed_1lcm 1
41 1 . . . parsed_1lcm 1
42 1 . . . parsed_1lcm 1
43 1 . . . parsed_1lcm 1
44 1 . . . parsed_1lcm 1
45 1 . . . parsed_1lcm 1
46 1 . . . parsed_1lcm 1
47 1 . . . parsed_1lcm 1
48 1 . . . parsed_1lcm 1
49 1 . . . parsed_1lcm 1
50 1 . . . parsed_1lcm 1
51 1 . . . parsed_1lcm 1
52 1 . . . parsed_1lcm 1
53 1 . . . parsed_1lcm 1
54 1 . . . parsed_1lcm 1
55 1 . . . parsed_1lcm 1
56 1 . . . parsed_1lcm 1
57 1 . . . parsed_1lcm 1
58 1 . . . parsed_1lcm 1
59 1 . . . parsed_1lcm 1
60 1 . . . parsed_1lcm 1
61 1 . . . parsed_1lcm 1
62 1 . . . parsed_1lcm 1
63 1 . . . parsed_1lcm 1
64 1 . . . parsed_1lcm 1
65 1 . . . parsed_1lcm 1
66 1 . . . parsed_1lcm 1
67 1 . . . parsed_1lcm 1
68 1 . . . parsed_1lcm 1
69 1 . . . parsed_1lcm 1
70 1 . . . parsed_1lcm 1
71 1 . . . parsed_1lcm 1
72 1 . . . parsed_1lcm 1
73 1 . . . parsed_1lcm 1
74 1 . . . parsed_1lcm 1
75 1 . . . parsed_1lcm 1
76 1 . . . parsed_1lcm 1
77 1 . . . parsed_1lcm 1
78 1 . . . parsed_1lcm 1
79 1 . . . parsed_1lcm 1
80 1 . . . parsed_1lcm 1
81 1 . . . parsed_1lcm 1
82 1 . . . parsed_1lcm 1
83 1 . . . parsed_1lcm 1
84 1 . . . parsed_1lcm 1
85 1 . . . parsed_1lcm 1
86 1 . . . parsed_1lcm 1
87 1 . . . parsed_1lcm 1
88 1 . . . parsed_1lcm 1
89 1 . . . parsed_1lcm 1
90 1 . . . parsed_1lcm 1
91 1 . . . parsed_1lcm 1
92 1 . . . parsed_1lcm 1
93 1 . . . parsed_1lcm 1
94 1 . . . parsed_1lcm 1
95 1 . . . parsed_1lcm 1
96 1 . . . parsed_1lcm 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 . . . . . . . . MCLR 1 . HA parsed_1lcm 1
1 1 2 . . . . . . . . MCLR 1 . HN parsed_1lcm 1
2 1 1 . . . . . . . . MCLR 1 . HB# parsed_1lcm 1
2 1 2 . . . . . . . . MCLR 1 . HN parsed_1lcm 1
3 1 1 . . . . . . . . MCLR 1 . HB# parsed_1lcm 1
3 1 2 . . . . . . . . MCLR 1 . HA parsed_1lcm 1
4 1 1 . . . . . . . . MCLR 2 . HN parsed_1lcm 1
4 1 2 . . . . . . . . MCLR 1 . HN parsed_1lcm 1
5 1 1 . . . . . . . . MCLR 2 . HN parsed_1lcm 1
5 1 2 . . . . . . . . MCLR 1 . HA parsed_1lcm 1
6 1 1 . . . . . . . . MCLR 2 . HN parsed_1lcm 1
6 1 2 . . . . . . . . MCLR 1 . HB# parsed_1lcm 1
7 1 1 . . . . . . . . MCLR 2 . HA parsed_1lcm 1
7 1 2 . . . . . . . . MCLR 2 . HN parsed_1lcm 1
8 1 1 . . . . . . . . MCLR 2 . HB# parsed_1lcm 1
8 1 2 . . . . . . . . MCLR 2 . HN parsed_1lcm 1
9 1 1 . . . . . . . . MCLR 2 . HB# parsed_1lcm 1
9 1 2 . . . . . . . . MCLR 2 . HA parsed_1lcm 1
10 1 1 . . . . . . . . MCLR 2 . HG parsed_1lcm 1
10 1 2 . . . . . . . . MCLR 2 . HN parsed_1lcm 1
11 1 1 . . . . . . . . MCLR 2 . HG parsed_1lcm 1
11 1 2 . . . . . . . . MCLR 2 . HA parsed_1lcm 1
12 1 1 . . . . . . . . MCLR 2 . HD1# parsed_1lcm 1
12 1 2 . . . . . . . . MCLR 2 . HN parsed_1lcm 1
13 1 1 . . . . . . . . MCLR 2 . HD1# parsed_1lcm 1
13 1 2 . . . . . . . . MCLR 2 . HB# parsed_1lcm 1
14 1 1 . . . . . . . . MCLR 2 . HD1# parsed_1lcm 1
14 1 2 . . . . . . . . MCLR 2 . HG parsed_1lcm 1
15 1 1 . . . . . . . . MCLR 2 . HD2# parsed_1lcm 1
15 1 2 . . . . . . . . MCLR 2 . HN parsed_1lcm 1
16 1 1 . . . . . . . . MCLR 2 . HD2# parsed_1lcm 1
16 1 2 . . . . . . . . MCLR 2 . HA parsed_1lcm 1
17 1 1 . . . . . . . . MCLR 2 . HD2# parsed_1lcm 1
17 1 2 . . . . . . . . MCLR 2 . HB# parsed_1lcm 1
18 1 1 . . . . . . . . MCLR 3 . HN parsed_1lcm 1
18 1 2 . . . . . . . . MCLR 1 . HN parsed_1lcm 1
19 1 1 . . . . . . . . MCLR 3 . HN parsed_1lcm 1
19 1 2 . . . . . . . . MCLR 1 . HB# parsed_1lcm 1
20 1 1 . . . . . . . . MCLR 3 . HN parsed_1lcm 1
20 1 2 . . . . . . . . MCLR 2 . HN parsed_1lcm 1
21 1 1 . . . . . . . . MCLR 3 . HN parsed_1lcm 1
21 1 2 . . . . . . . . MCLR 2 . HB# parsed_1lcm 1
22 1 1 . . . . . . . . MCLR 3 . HN parsed_1lcm 1
22 1 2 . . . . . . . . MCLR 2 . HG parsed_1lcm 1
23 1 1 . . . . . . . . MCLR 3 . HB2 parsed_1lcm 1
23 1 2 . . . . . . . . MCLR 3 . HN parsed_1lcm 1
24 1 1 . . . . . . . . MCLR 3 . HA parsed_1lcm 1
24 1 2 . . . . . . . . MCLR 3 . HN parsed_1lcm 1
25 1 1 . . . . . . . . MCLR 3 . HA parsed_1lcm 1
25 1 2 . . . . . . . . MCLR 3 . HB2 parsed_1lcm 1
26 1 1 . . . . . . . . MCLR 3 . HB1# parsed_1lcm 1
26 1 2 . . . . . . . . MCLR 3 . HN parsed_1lcm 1
27 1 1 . . . . . . . . MCLR 3 . HB1# parsed_1lcm 1
27 1 2 . . . . . . . . MCLR 3 . HA parsed_1lcm 1
28 1 1 . . . . . . . . MCLR 4 . HN parsed_1lcm 1
28 1 2 . . . . . . . . MCLR 3 . HN parsed_1lcm 1
29 1 1 . . . . . . . . MCLR 4 . HN parsed_1lcm 1
29 1 2 . . . . . . . . MCLR 3 . HA parsed_1lcm 1
30 1 1 . . . . . . . . MCLR 4 . HN parsed_1lcm 1
30 1 2 . . . . . . . . MCLR 3 . HB1# parsed_1lcm 1
31 1 1 . . . . . . . . MCLR 4 . HA parsed_1lcm 1
31 1 2 . . . . . . . . MCLR 4 . HN parsed_1lcm 1
32 1 1 . . . . . . . . MCLR 4 . HB# parsed_1lcm 1
32 1 2 . . . . . . . . MCLR 4 . HN parsed_1lcm 1
33 1 1 . . . . . . . . MCLR 4 . HB# parsed_1lcm 1
33 1 2 . . . . . . . . MCLR 4 . HA parsed_1lcm 1
34 1 1 . . . . . . . . MCLR 4 . HD# parsed_1lcm 1
34 1 2 . . . . . . . . MCLR 4 . HG# parsed_1lcm 1
35 1 1 . . . . . . . . MCLR 5 . HN parsed_1lcm 1
35 1 2 . . . . . . . . MCLR 3 . HA parsed_1lcm 1
36 1 1 . . . . . . . . MCLR 5 . HN parsed_1lcm 1
36 1 2 . . . . . . . . MCLR 4 . HN parsed_1lcm 1
37 1 1 . . . . . . . . MCLR 5 . HN parsed_1lcm 1
37 1 2 . . . . . . . . MCLR 4 . HA parsed_1lcm 1
38 1 1 . . . . . . . . MCLR 5 . HN parsed_1lcm 1
38 1 2 . . . . . . . . MCLR 4 . HB# parsed_1lcm 1
39 1 1 . . . . . . . . MCLR 5 . HN parsed_1lcm 1
39 1 2 . . . . . . . . MCLR 4 . HG# parsed_1lcm 1
40 1 1 . . . . . . . . MCLR 5 . HB1 parsed_1lcm 1
40 1 2 . . . . . . . . MCLR 5 . HN parsed_1lcm 1
41 1 1 . . . . . . . . MCLR 5 . HG parsed_1lcm 1
41 1 2 . . . . . . . . MCLR 5 . HN parsed_1lcm 1
42 1 1 . . . . . . . . MCLR 5 . HG parsed_1lcm 1
42 1 2 . . . . . . . . MCLR 5 . HB1 parsed_1lcm 1
43 1 1 . . . . . . . . MCLR 5 . HD parsed_1lcm 1
43 1 2 . . . . . . . . MCLR 5 . HN parsed_1lcm 1
44 1 1 . . . . . . . . MCLR 5 . HD parsed_1lcm 1
44 1 2 . . . . . . . . MCLR 5 . HB1 parsed_1lcm 1
45 1 1 . . . . . . . . MCLR 5 . HZ1# parsed_1lcm 1
45 1 2 . . . . . . . . MCLR 5 . HN parsed_1lcm 1
46 1 1 . . . . . . . . MCLR 5 . HZ1# parsed_1lcm 1
46 1 2 . . . . . . . . MCLR 5 . HB1 parsed_1lcm 1
47 1 1 . . . . . . . . MCLR 5 . HZ1# parsed_1lcm 1
47 1 2 . . . . . . . . MCLR 5 . HG parsed_1lcm 1
48 1 1 . . . . . . . . MCLR 5 . HZ1# parsed_1lcm 1
48 1 2 . . . . . . . . MCLR 5 . HD parsed_1lcm 1
49 1 1 . . . . . . . . MCLR 5 . HZ2 parsed_1lcm 1
49 1 2 . . . . . . . . MCLR 5 . HZ1# parsed_1lcm 1
50 1 1 . . . . . . . . MCLR 5 . HH parsed_1lcm 1
50 1 2 . . . . . . . . MCLR 5 . HZ1# parsed_1lcm 1
51 1 1 . . . . . . . . MCLR 5 . HH parsed_1lcm 1
51 1 2 . . . . . . . . MCLR 5 . HZ2 parsed_1lcm 1
52 1 1 . . . . . . . . MCLR 5 . HT1# parsed_1lcm 1
52 1 2 . . . . . . . . MCLR 5 . HZ2 parsed_1lcm 1
53 1 1 . . . . . . . . MCLR 5 . HT1# parsed_1lcm 1
53 1 2 . . . . . . . . MCLR 5 . HH parsed_1lcm 1
54 1 1 . . . . . . . . MCLR 5 . HT2 parsed_1lcm 1
54 1 2 . . . . . . . . MCLR 5 . HZ1# parsed_1lcm 1
55 1 1 . . . . . . . . MCLR 5 . HT2 parsed_1lcm 1
55 1 2 . . . . . . . . MCLR 5 . HZ2 parsed_1lcm 1
56 1 1 . . . . . . . . MCLR 5 . HT2 parsed_1lcm 1
56 1 2 . . . . . . . . MCLR 5 . HH parsed_1lcm 1
57 1 1 . . . . . . . . MCLR 5 . HT2 parsed_1lcm 1
57 1 2 . . . . . . . . MCLR 5 . HT1# parsed_1lcm 1
58 1 1 . . . . . . . . MCLR 5 . HF1# parsed_1lcm 1
58 1 2 . . . . . . . . MCLR 5 . HH parsed_1lcm 1
59 1 1 . . . . . . . . MCLR 5 . HF1# parsed_1lcm 1
59 1 2 . . . . . . . . MCLR 5 . HT1# parsed_1lcm 1
60 1 1 . . . . . . . . MCLR 5 . HF1# parsed_1lcm 1
60 1 2 . . . . . . . . MCLR 5 . HT2 parsed_1lcm 1
61 1 1 . . . . . . . . MCLR 5 . HU# parsed_1lcm 1
61 1 2 . . . . . . . . MCLR 5 . HZ1# parsed_1lcm 1
62 1 1 . . . . . . . . MCLR 5 . HU# parsed_1lcm 1
62 1 2 . . . . . . . . MCLR 5 . HZ2 parsed_1lcm 1
63 1 1 . . . . . . . . MCLR 5 . HU# parsed_1lcm 1
63 1 2 . . . . . . . . MCLR 5 . HT1# parsed_1lcm 1
64 1 1 . . . . . . . . MCLR 5 . HU# parsed_1lcm 1
64 1 2 . . . . . . . . MCLR 5 . HT2 parsed_1lcm 1
65 1 1 . . . . . . . . MCLR 5 . HA parsed_1lcm 1
65 1 2 . . . . . . . . MCLR 5 . HN parsed_1lcm 1
66 1 1 . . . . . . . . MCLR 5 . HA parsed_1lcm 1
66 1 2 . . . . . . . . MCLR 5 . HB1 parsed_1lcm 1
67 1 1 . . . . . . . . MCLR 5 . HA parsed_1lcm 1
67 1 2 . . . . . . . . MCLR 5 . HG parsed_1lcm 1
68 1 1 . . . . . . . . MCLR 5 . HA parsed_1lcm 1
68 1 2 . . . . . . . . MCLR 5 . HD parsed_1lcm 1
69 1 1 . . . . . . . . MCLR 5 . HA parsed_1lcm 1
69 1 2 . . . . . . . . MCLR 5 . HZ1# parsed_1lcm 1
70 1 1 . . . . . . . . MCLR 5 . HB2# parsed_1lcm 1
70 1 2 . . . . . . . . MCLR 5 . HN parsed_1lcm 1
71 1 1 . . . . . . . . MCLR 5 . HB2# parsed_1lcm 1
71 1 2 . . . . . . . . MCLR 5 . HB1 parsed_1lcm 1
72 1 1 . . . . . . . . MCLR 5 . HB2# parsed_1lcm 1
72 1 2 . . . . . . . . MCLR 5 . HG parsed_1lcm 1
73 1 1 . . . . . . . . MCLR 5 . HB2# parsed_1lcm 1
73 1 2 . . . . . . . . MCLR 5 . HD parsed_1lcm 1
74 1 1 . . . . . . . . MCLR 5 . HB2# parsed_1lcm 1
74 1 2 . . . . . . . . MCLR 5 . HA parsed_1lcm 1
75 1 1 . . . . . . . . MCLR 6 . HN parsed_1lcm 1
75 1 2 . . . . . . . . MCLR 5 . HN parsed_1lcm 1
76 1 1 . . . . . . . . MCLR 6 . HN parsed_1lcm 1
76 1 2 . . . . . . . . MCLR 5 . HA parsed_1lcm 1
77 1 1 . . . . . . . . MCLR 6 . HN parsed_1lcm 1
77 1 2 . . . . . . . . MCLR 5 . HB2# parsed_1lcm 1
78 1 1 . . . . . . . . MCLR 6 . HG parsed_1lcm 1
78 1 2 . . . . . . . . MCLR 6 . HN parsed_1lcm 1
79 1 1 . . . . . . . . MCLR 6 . HB1 parsed_1lcm 1
79 1 2 . . . . . . . . MCLR 6 . HN parsed_1lcm 1
80 1 1 . . . . . . . . MCLR 6 . HB1 parsed_1lcm 1
80 1 2 . . . . . . . . MCLR 6 . HG parsed_1lcm 1
81 1 1 . . . . . . . . MCLR 6 . HB2 parsed_1lcm 1
81 1 2 . . . . . . . . MCLR 2 . HN parsed_1lcm 1
82 1 1 . . . . . . . . MCLR 6 . HB2 parsed_1lcm 1
82 1 2 . . . . . . . . MCLR 3 . HN parsed_1lcm 1
83 1 1 . . . . . . . . MCLR 6 . HB2 parsed_1lcm 1
83 1 2 . . . . . . . . MCLR 6 . HN parsed_1lcm 1
84 1 1 . . . . . . . . MCLR 6 . HB2 parsed_1lcm 1
84 1 2 . . . . . . . . MCLR 6 . HG parsed_1lcm 1
85 1 1 . . . . . . . . MCLR 6 . HA1 parsed_1lcm 1
85 1 2 . . . . . . . . MCLR 6 . HG parsed_1lcm 1
86 1 1 . . . . . . . . MCLR 6 . HA1 parsed_1lcm 1
86 1 2 . . . . . . . . MCLR 6 . HB2 parsed_1lcm 1
87 1 1 . . . . . . . . MCLR 6 . HA2 parsed_1lcm 1
87 1 2 . . . . . . . . MCLR 6 . HG parsed_1lcm 1
88 1 1 . . . . . . . . MCLR 6 . HA2 parsed_1lcm 1
88 1 2 . . . . . . . . MCLR 6 . HB1 parsed_1lcm 1
89 1 1 . . . . . . . . MCLR 6 . HA2 parsed_1lcm 1
89 1 2 . . . . . . . . MCLR 6 . HA1 parsed_1lcm 1
90 1 1 . . . . . . . . MCLR 7 . HCN# parsed_1lcm 1
90 1 2 . . . . . . . . MCLR 1 . HN parsed_1lcm 1
91 1 1 . . . . . . . . MCLR 7 . HCN# parsed_1lcm 1
91 1 2 . . . . . . . . MCLR 6 . HG parsed_1lcm 1
92 1 1 . . . . . . . . MCLR 7 . HCN# parsed_1lcm 1
92 1 2 . . . . . . . . MCLR 6 . HA1 parsed_1lcm 1
93 1 1 . . . . . . . . MCLR 7 . HCN# parsed_1lcm 1
93 1 2 . . . . . . . . MCLR 6 . HA2 parsed_1lcm 1
94 1 1 . . . . . . . . MCLR 7 . HB1 parsed_1lcm 1
94 1 2 . . . . . . . . MCLR 7 . HCN# parsed_1lcm 1
95 1 1 . . . . . . . . MCLR 7 . HB2 parsed_1lcm 1
95 1 2 . . . . . . . . MCLR 7 . HCN# parsed_1lcm 1
96 1 1 . . . . . . . . MCLR 7 . HB2 parsed_1lcm 1
96 1 2 . . . . . . . . MCLR 7 . HB1 parsed_1lcm 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 . . . . . 3.02 2.85 3.21 parsed_1lcm 1
2 1 . . . . . 2.86 2.70 3.06 parsed_1lcm 1
3 1 . . . . . 2.38 2.26 2.46 parsed_1lcm 1
4 1 . . . . . 2.74 2.63 2.85 parsed_1lcm 1
5 1 . . . . . 4.06 2.56 5.58 parsed_1lcm 1
6 1 . . . . . 4.42 3.73 6.19 parsed_1lcm 1
7 1 . . . . . 3.23 3.02 3.51 parsed_1lcm 1
8 1 . . . . . 3.16 2.87 3.47 parsed_1lcm 1
9 1 . . . . . 2.71 2.60 2.86 parsed_1lcm 1
10 1 . . . . . 2.41 2.34 2.47 parsed_1lcm 1
11 1 . . . . . 2.78 2.66 2.89 parsed_1lcm 1
12 1 . . . . . 5.00 3.96 7.48 parsed_1lcm 1
13 1 . . . . . 3.36 2.90 3.74 parsed_1lcm 1
14 1 . . . . . 3.40 2.77 3.72 parsed_1lcm 1
15 1 . . . . . 5.14 4.38 6.92 parsed_1lcm 1
16 1 . . . . . 2.73 2.45 3.06 parsed_1lcm 1
17 1 . . . . . 3.26 3.13 3.41 parsed_1lcm 1
18 1 . . . . . 3.98 3.46 4.90 parsed_1lcm 1
19 1 . . . . . 4.14 3.58 5.20 parsed_1lcm 1
20 1 . . . . . 2.31 2.25 2.36 parsed_1lcm 1
21 1 . . . . . 2.76 2.24 5.46 parsed_1lcm 1
22 1 . . . . . 3.04 2.79 3.37 parsed_1lcm 1
23 1 . . . . . 2.90 2.76 3.06 parsed_1lcm 1
24 1 . . . . . 3.35 3.08 3.71 parsed_1lcm 1
25 1 . . . . . 2.23 2.16 2.29 parsed_1lcm 1
26 1 . . . . . 3.09 2.92 3.25 parsed_1lcm 1
27 1 . . . . . 2.12 2.02 2.18 parsed_1lcm 1
28 1 . . . . . 3.86 3.34 4.78 parsed_1lcm 1
29 1 . . . . . 2.09 2.03 2.14 parsed_1lcm 1
30 1 . . . . . 4.01 3.72 4.87 parsed_1lcm 1
31 1 . . . . . 3.17 2.63 3.46 parsed_1lcm 1
32 1 . . . . . 3.07 2.75 3.42 parsed_1lcm 1
33 1 . . . . . 2.57 2.45 2.70 parsed_1lcm 1
34 1 . . . . . 2.68 2.58 2.77 parsed_1lcm 1
35 1 . . . . . 3.52 3.24 3.88 parsed_1lcm 1
36 1 . . . . . 2.34 2.27 2.42 parsed_1lcm 1
37 1 . . . . . 3.01 2.82 3.22 parsed_1lcm 1
38 1 . . . . . 4.21 3.65 5.54 parsed_1lcm 1
39 1 . . . . . 4.12 3.54 5.13 parsed_1lcm 1
40 1 . . . . . 2.97 2.81 3.16 parsed_1lcm 1
41 1 . . . . . 2.56 2.46 2.66 parsed_1lcm 1
42 1 . . . . . 2.58 2.48 3.08 parsed_1lcm 1
43 1 . . . . . 2.96 2.79 3.96 parsed_1lcm 1
44 1 . . . . . 2.26 2.17 2.32 parsed_1lcm 1
45 1 . . . . . 5.11 4.41 6.80 parsed_1lcm 1
46 1 . . . . . 4.04 3.70 4.75 parsed_1lcm 1
47 1 . . . . . 2.40 2.11 2.66 parsed_1lcm 1
48 1 . . . . . 4.11 3.81 4.59 parsed_1lcm 1
49 1 . . . . . 2.10 2.03 3.60 parsed_1lcm 1
50 1 . . . . . 2.55 2.28 2.79 parsed_1lcm 1
51 1 . . . . . 3.47 3.23 3.80 parsed_1lcm 1
52 1 . . . . . 2.67 2.48 2.88 parsed_1lcm 1
53 1 . . . . . 2.78 2.69 2.89 parsed_1lcm 1
54 1 . . . . . 3.67 3.42 4.01 parsed_1lcm 1
55 1 . . . . . 2.73 2.61 2.86 parsed_1lcm 1
56 1 . . . . . 2.65 2.56 2.74 parsed_1lcm 1
57 1 . . . . . 3.22 3.07 3.43 parsed_1lcm 1
58 1 . . . . . 3.85 3.52 4.49 parsed_1lcm 1
59 1 . . . . . 3.35 3.08 3.60 parsed_1lcm 1
60 1 . . . . . 3.05 2.93 3.21 parsed_1lcm 1
61 1 . . . . . 4.81 3.87 6.42 parsed_1lcm 1
62 1 . . . . . 3.67 3.30 4.32 parsed_1lcm 1
63 1 . . . . . 4.09 3.68 4.71 parsed_1lcm 1
64 1 . . . . . 3.09 2.59 3.27 parsed_1lcm 1
65 1 . . . . . 2.45 2.36 2.54 parsed_1lcm 1
66 1 . . . . . 2.64 2.52 2.81 parsed_1lcm 1
67 1 . . . . . 2.60 2.48 2.72 parsed_1lcm 1
68 1 . . . . . 4.06 2.97 5.75 parsed_1lcm 1
69 1 . . . . . 3.33 3.02 5.09 parsed_1lcm 1
70 1 . . . . . 3.45 2.59 4.20 parsed_1lcm 1
71 1 . . . . . 2.71 1.90 3.01 parsed_1lcm 1
72 1 . . . . . 3.40 2.85 3.83 parsed_1lcm 1
73 1 . . . . . 3.51 3.18 4.08 parsed_1lcm 1
74 1 . . . . . 2.16 1.30 2.35 parsed_1lcm 1
75 1 . . . . . 2.89 2.76 3.05 parsed_1lcm 1
76 1 . . . . . 1.98 1.92 2.01 parsed_1lcm 1
77 1 . . . . . 3.81 3.47 4.43 parsed_1lcm 1
78 1 . . . . . 2.93 2.78 3.15 parsed_1lcm 1
79 1 . . . . . 2.42 2.33 2.50 parsed_1lcm 1
80 1 . . . . . 2.84 2.69 3.01 parsed_1lcm 1
81 1 . . . . . 3.40 3.10 3.81 parsed_1lcm 1
82 1 . . . . . 3.01 2.85 3.22 parsed_1lcm 1
83 1 . . . . . 2.26 2.21 2.30 parsed_1lcm 1
84 1 . . . . . 2.57 2.50 2.67 parsed_1lcm 1
85 1 . . . . . 2.42 2.32 2.53 parsed_1lcm 1
86 1 . . . . . 2.54 2.22 3.56 parsed_1lcm 1
87 1 . . . . . 2.76 2.64 2.88 parsed_1lcm 1
88 1 . . . . . 2.77 2.63 2.96 parsed_1lcm 1
89 1 . . . . . 1.76 1.66 1.81 parsed_1lcm 1
90 1 . . . . . 3.79 3.39 4.48 parsed_1lcm 1
91 1 . . . . . 4.75 4.01 6.25 parsed_1lcm 1
92 1 . . . . . 2.33 1.98 2.84 parsed_1lcm 1
93 1 . . . . . 2.71 2.49 2.96 parsed_1lcm 1
94 1 . . . . . 3.72 3.37 4.16 parsed_1lcm 1
95 1 . . . . . 2.71 2.36 3.04 parsed_1lcm 1
96 1 . . . . . 1.92 1.86 1.98 parsed_1lcm 1
stop_
save_
Contact the webmaster for help, if required. Monday, July 1, 2024 6:26:47 AM GMT (wattos1)