NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
52935 |
2oed   |
cing | 2-parsed | STAR | dipolar coupling | 87 |
data_2oed_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2oed
_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_2oed 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2oed
_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 2oed "Master copy" parsed_2oed
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2oed
_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 2oed.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . n/a 2 protocol "structure calculation" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 34 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 43 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 87 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 9 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 10 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 11 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 12 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 13 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 14 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 15 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 16 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 17 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 18 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 19 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . "MR format" 20 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2oed 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2oed
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 5
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint.ID
_RDC_constraint.Assembly_atom_ID_1
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Seq_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Resonance_ID_1
_RDC_constraint.Assembly_atom_ID_2
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Seq_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.Resonance_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.Source_experiment_ID
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 . . . . . . . . . . . . . . . . 29.248 28.248 30.248 . . GB3N 2 . CA GB3N 2 . HA parsed_2oed 1
2 . . . . . . . . . . . . . . . . 36.404 35.404 37.404 . . GB3N 3 . CA GB3N 3 . HA parsed_2oed 1
3 . . . . . . . . . . . . . . . . 41.096 40.096 42.096 . . GB3N 4 . CA GB3N 4 . HA parsed_2oed 1
4 . . . . . . . . . . . . . . . . 42.639 41.639 43.639 . . GB3N 5 . CA GB3N 5 . HA parsed_2oed 1
5 . . . . . . . . . . . . . . . . 37.904 36.904 38.904 . . GB3N 6 . CA GB3N 6 . HA parsed_2oed 1
6 . . . . . . . . . . . . . . . . 26.974 25.974 27.974 . . GB3N 7 . CA GB3N 7 . HA parsed_2oed 1
7 . . . . . . . . . . . . . . . . 23.801 22.801 24.801 . . GB3N 8 . CA GB3N 8 . HA parsed_2oed 1
8 . . . . . . . . . . . . . . . . 30.329 29.329 31.329 . . GB3N 12 . CA GB3N 12 . HA parsed_2oed 1
9 . . . . . . . . . . . . . . . . 26.588 25.588 27.588 . . GB3N 13 . CA GB3N 13 . HA parsed_2oed 1
10 . . . . . . . . . . . . . . . . 34.267 33.267 35.267 . . GB3N 15 . CA GB3N 15 . HA parsed_2oed 1
11 . . . . . . . . . . . . . . . . 33.305 32.305 34.305 . . GB3N 16 . CA GB3N 16 . HA parsed_2oed 1
12 . . . . . . . . . . . . . . . . 39.254 38.254 40.254 . . GB3N 17 . CA GB3N 17 . HA parsed_2oed 1
13 . . . . . . . . . . . . . . . . 41.240 40.240 42.240 . . GB3N 18 . CA GB3N 18 . HA parsed_2oed 1
14 . . . . . . . . . . . . . . . . 31.762 30.762 32.762 . . GB3N 19 . CA GB3N 19 . HA parsed_2oed 1
15 . . . . . . . . . . . . . . . . 10.636 9.636 11.636 . . GB3N 20 . CA GB3N 20 . HA parsed_2oed 1
16 . . . . . . . . . . . . . . . . 9.944 8.944 10.944 . . GB3N 21 . CA GB3N 21 . HA parsed_2oed 1
17 . . . . . . . . . . . . . . . . 27.710 26.710 28.710 . . GB3N 22 . CA GB3N 22 . HA parsed_2oed 1
18 . . . . . . . . . . . . . . . . 19.491 18.491 20.491 . . GB3N 23 . CA GB3N 23 . HA parsed_2oed 1
19 . . . . . . . . . . . . . . . . -34.244 -35.244 -33.244 . . GB3N 27 . CA GB3N 27 . HA parsed_2oed 1
20 . . . . . . . . . . . . . . . . -20.276 -21.276 -19.276 . . GB3N 28 . CA GB3N 28 . HA parsed_2oed 1
21 . . . . . . . . . . . . . . . . 32.192 31.192 33.192 . . GB3N 29 . CA GB3N 29 . HA parsed_2oed 1
22 . . . . . . . . . . . . . . . . 33.187 32.187 34.187 . . GB3N 30 . CA GB3N 30 . HA parsed_2oed 1
23 . . . . . . . . . . . . . . . . -51.346 -52.346 -50.346 . . GB3N 31 . CA GB3N 31 . HA parsed_2oed 1
24 . . . . . . . . . . . . . . . . 4.506 3.506 5.506 . . GB3N 32 . CA GB3N 32 . HA parsed_2oed 1
25 . . . . . . . . . . . . . . . . 42.230 41.230 43.230 . . GB3N 33 . CA GB3N 33 . HA parsed_2oed 1
26 . . . . . . . . . . . . . . . . -3.207 -4.207 -2.207 . . GB3N 34 . CA GB3N 34 . HA parsed_2oed 1
27 . . . . . . . . . . . . . . . . -41.750 -42.750 -40.750 . . GB3N 35 . CA GB3N 35 . HA parsed_2oed 1
28 . . . . . . . . . . . . . . . . 24.039 23.039 25.039 . . GB3N 36 . CA GB3N 36 . HA parsed_2oed 1
29 . . . . . . . . . . . . . . . . 37.686 36.686 38.686 . . GB3N 37 . CA GB3N 37 . HA parsed_2oed 1
30 . . . . . . . . . . . . . . . . 6.185 5.185 7.185 . . GB3N 42 . CA GB3N 42 . HA parsed_2oed 1
31 . . . . . . . . . . . . . . . . 27.419 26.419 28.419 . . GB3N 43 . CA GB3N 43 . HA parsed_2oed 1
32 . . . . . . . . . . . . . . . . 23.599 22.599 24.599 . . GB3N 44 . CA GB3N 44 . HA parsed_2oed 1
33 . . . . . . . . . . . . . . . . 37.344 36.344 38.344 . . GB3N 45 . CA GB3N 45 . HA parsed_2oed 1
34 . . . . . . . . . . . . . . . . 40.329 39.329 41.329 . . GB3N 46 . CA GB3N 46 . HA parsed_2oed 1
35 . . . . . . . . . . . . . . . . 30.267 29.267 31.267 . . GB3N 47 . CA GB3N 47 . HA parsed_2oed 1
36 . . . . . . . . . . . . . . . . -56.646 -57.646 -55.646 . . GB3N 48 . CA GB3N 48 . HA parsed_2oed 1
37 . . . . . . . . . . . . . . . . -3.485 -4.485 -2.485 . . GB3N 49 . CA GB3N 49 . HA parsed_2oed 1
38 . . . . . . . . . . . . . . . . 23.735 22.735 24.735 . . GB3N 50 . CA GB3N 50 . HA parsed_2oed 1
39 . . . . . . . . . . . . . . . . 34.829 33.829 35.829 . . GB3N 51 . CA GB3N 51 . HA parsed_2oed 1
40 . . . . . . . . . . . . . . . . 43.214 42.214 44.214 . . GB3N 52 . CA GB3N 52 . HA parsed_2oed 1
41 . . . . . . . . . . . . . . . . 39.814 38.814 40.814 . . GB3N 53 . CA GB3N 53 . HA parsed_2oed 1
42 . . . . . . . . . . . . . . . . 36.424 35.424 37.424 . . GB3N 54 . CA GB3N 54 . HA parsed_2oed 1
43 . . . . . . . . . . . . . . . . 29.428 28.428 30.428 . . GB3N 55 . CA GB3N 55 . HA parsed_2oed 1
44 . . . . . . . . . . . . . . . . -0.320 -0.445 -0.195 . . GB3N 2 . C GB3N 3 . N parsed_2oed 1
45 . . . . . . . . . . . . . . . . -1.906 -2.031 -1.781 . . GB3N 3 . C GB3N 4 . N parsed_2oed 1
46 . . . . . . . . . . . . . . . . -0.024 -0.149 0.101 . . GB3N 4 . C GB3N 5 . N parsed_2oed 1
47 . . . . . . . . . . . . . . . . -0.476 -0.601 -0.351 . . GB3N 5 . C GB3N 6 . N parsed_2oed 1
48 . . . . . . . . . . . . . . . . 0.578 0.453 0.703 . . GB3N 6 . C GB3N 7 . N parsed_2oed 1
49 . . . . . . . . . . . . . . . . 0.944 0.819 1.069 . . GB3N 7 . C GB3N 8 . N parsed_2oed 1
50 . . . . . . . . . . . . . . . . 2.356 2.231 2.481 . . GB3N 8 . C GB3N 9 . N parsed_2oed 1
51 . . . . . . . . . . . . . . . . -0.564 -0.689 -0.439 . . GB3N 9 . C GB3N 10 . N parsed_2oed 1
52 . . . . . . . . . . . . . . . . 1.016 0.891 1.141 . . GB3N 12 . C GB3N 13 . N parsed_2oed 1
53 . . . . . . . . . . . . . . . . -1.894 -2.019 -1.769 . . GB3N 13 . C GB3N 14 . N parsed_2oed 1
54 . . . . . . . . . . . . . . . . -1.914 -2.039 -1.789 . . GB3N 14 . C GB3N 15 . N parsed_2oed 1
55 . . . . . . . . . . . . . . . . -1.834 -1.959 -1.709 . . GB3N 15 . C GB3N 16 . N parsed_2oed 1
56 . . . . . . . . . . . . . . . . -1.150 -1.275 -1.025 . . GB3N 17 . C GB3N 18 . N parsed_2oed 1
57 . . . . . . . . . . . . . . . . -2.606 -2.731 -2.481 . . GB3N 18 . C GB3N 19 . N parsed_2oed 1
58 . . . . . . . . . . . . . . . . 1.722 1.597 1.847 . . GB3N 19 . C GB3N 20 . N parsed_2oed 1
59 . . . . . . . . . . . . . . . . -1.028 -1.153 -0.903 . . GB3N 20 . C GB3N 21 . N parsed_2oed 1
60 . . . . . . . . . . . . . . . . -1.952 -2.077 -1.827 . . GB3N 21 . C GB3N 22 . N parsed_2oed 1
61 . . . . . . . . . . . . . . . . 0.950 0.825 1.075 . . GB3N 22 . C GB3N 23 . N parsed_2oed 1
62 . . . . . . . . . . . . . . . . -0.274 -0.399 -0.149 . . GB3N 23 . C GB3N 24 . N parsed_2oed 1
63 . . . . . . . . . . . . . . . . -1.928 -2.053 -1.803 . . GB3N 27 . C GB3N 28 . N parsed_2oed 1
64 . . . . . . . . . . . . . . . . 0.528 0.403 0.653 . . GB3N 28 . C GB3N 29 . N parsed_2oed 1
65 . . . . . . . . . . . . . . . . 1.348 1.223 1.473 . . GB3N 30 . C GB3N 31 . N parsed_2oed 1
66 . . . . . . . . . . . . . . . . -1.522 -1.647 -1.397 . . GB3N 31 . C GB3N 32 . N parsed_2oed 1
67 . . . . . . . . . . . . . . . . 1.216 1.091 1.341 . . GB3N 32 . C GB3N 33 . N parsed_2oed 1
68 . . . . . . . . . . . . . . . . 1.898 1.773 2.023 . . GB3N 33 . C GB3N 34 . N parsed_2oed 1
69 . . . . . . . . . . . . . . . . -0.472 -0.597 -0.347 . . GB3N 34 . C GB3N 35 . N parsed_2oed 1
70 . . . . . . . . . . . . . . . . -0.618 -0.743 -0.493 . . GB3N 35 . C GB3N 36 . N parsed_2oed 1
71 . . . . . . . . . . . . . . . . 1.366 1.241 1.491 . . GB3N 36 . C GB3N 37 . N parsed_2oed 1
72 . . . . . . . . . . . . . . . . 1.742 1.617 1.867 . . GB3N 37 . C GB3N 38 . N parsed_2oed 1
73 . . . . . . . . . . . . . . . . -0.444 -0.569 -0.319 . . GB3N 38 . C GB3N 39 . N parsed_2oed 1
74 . . . . . . . . . . . . . . . . -2.984 -3.109 -2.859 . . GB3N 42 . C GB3N 43 . N parsed_2oed 1
75 . . . . . . . . . . . . . . . . 0.968 0.843 1.093 . . GB3N 43 . C GB3N 44 . N parsed_2oed 1
76 . . . . . . . . . . . . . . . . -0.594 -0.719 -0.469 . . GB3N 44 . C GB3N 45 . N parsed_2oed 1
77 . . . . . . . . . . . . . . . . 0.940 0.815 1.065 . . GB3N 45 . C GB3N 46 . N parsed_2oed 1
78 . . . . . . . . . . . . . . . . -0.402 -0.527 -0.277 . . GB3N 46 . C GB3N 47 . N parsed_2oed 1
79 . . . . . . . . . . . . . . . . -0.194 -0.319 -0.069 . . GB3N 47 . C GB3N 48 . N parsed_2oed 1
80 . . . . . . . . . . . . . . . . -0.868 -0.993 -0.743 . . GB3N 48 . C GB3N 49 . N parsed_2oed 1
81 . . . . . . . . . . . . . . . . 0.326 0.201 0.451 . . GB3N 49 . C GB3N 50 . N parsed_2oed 1
82 . . . . . . . . . . . . . . . . -2.602 -2.727 -2.477 . . GB3N 50 . C GB3N 51 . N parsed_2oed 1
83 . . . . . . . . . . . . . . . . 1.666 1.541 1.791 . . GB3N 51 . C GB3N 52 . N parsed_2oed 1
84 . . . . . . . . . . . . . . . . -1.054 -1.179 -0.929 . . GB3N 52 . C GB3N 53 . N parsed_2oed 1
85 . . . . . . . . . . . . . . . . 0.352 0.227 0.477 . . GB3N 53 . C GB3N 54 . N parsed_2oed 1
86 . . . . . . . . . . . . . . . . 0.076 -0.049 0.201 . . GB3N 54 . C GB3N 55 . N parsed_2oed 1
87 . . . . . . . . . . . . . . . . -0.386 -0.511 -0.261 . . GB3N 55 . C GB3N 56 . N parsed_2oed 1
stop_
loop_
_RDC_constraint_comment_org.ID
_RDC_constraint_comment_org.Comment_text
_RDC_constraint_comment_org.Comment_begin_line
_RDC_constraint_comment_org.Comment_begin_column
_RDC_constraint_comment_org.Comment_end_line
_RDC_constraint_comment_org.Comment_end_column
_RDC_constraint_comment_org.Entry_ID
_RDC_constraint_comment_org.RDC_constraint_list_ID
1 rcds_A_CAHA.dat 1 1 1 18 parsed_2oed 1
2
;
assign ( resi 501 and name OO )
( resi 501 and name Z )
( resi 501 and name X )
( resi 501 and name Y )
( segi GB3N and resi 9 and name CA )
( segi GB3N and resi 9 and name HA# ) 54.500 1.0 1.0
;
51 1 56 65 parsed_2oed 1
3
;
assign ( resi 501 and name OO )
( resi 501 and name Z )
( resi 501 and name X )
( resi 501 and name Y )
( segi GB3N and resi 14 and name CA )
( segi GB3N and resi 14 and name HA# ) 54.760 1.0 1.0
;
72 1 77 65 parsed_2oed 1
4
;
assign ( resi 501 and name OO )
( resi 501 and name Z )
( resi 501 and name X )
( resi 501 and name Y )
( segi GB3N and resi 38 and name CA )
( segi GB3N and resi 38 and name HA# ) -1.692 1.0 1.0
;
219 1 224 65 parsed_2oed 1
5
;
assign ( resi 501 and name OO )
( resi 501 and name Z )
( resi 501 and name X )
( resi 501 and name Y )
( segi GB3N and resi 10 and name CA )
( segi GB3N and resi 10 and name HA ) 18.139 1.0 1.0 1
assign ( resi 501 and name OO )
( resi 501 and name Z )
( resi 501 and name X )
( resi 501 and name Y )
( segi GB3N and resi 11 and name CA )
( segi GB3N and resi 11 and name HA ) -23.085 1.0 1.0 1
assign ( resi 501 and name OO )
( resi 501 and name Z )
( resi 501 and name X )
( resi 501 and name Y )
( segi GB3N and resi 24 and name CA )
( segi GB3N and resi 24 and name HA ) -52.233 1.0 1.0 1
assign ( resi 501 and name OO )
( resi 501 and name Z )
( resi 501 and name X )
( resi 501 and name Y )
( segi GB3N and resi 25 and name CA )
( segi GB3N and resi 25 and name HA ) 25.500 1.0 1.0 1
assign ( resi 501 and name OO )
( resi 501 and name Z )
( resi 501 and name X )
( resi 501 and name Y )
( segi GB3N and resi 26 and name CA )
( segi GB3N and resi 26 and name HA ) 41.889 1.0 1.0 1
assign ( resi 501 and name OO )
( resi 501 and name Z )
( resi 501 and name X )
( resi 501 and name Y )
( segi GB3N and resi 39 and name CA )
( segi GB3N and resi 39 and name HA ) -59.692 1.0 1.0 1
assign ( resi 501 and name OO )
( resi 501 and name Z )
( resi 501 and name X )
( resi 501 and name Y )
( segi GB3N and resi 40 and name CA )
( segi GB3N and resi 40 and name HA ) -56.871 1.0 1.0 1
!assign ( resi 501 and name OO )
! ( resi 501 and name Z )
! ( resi 501 and name X )
! ( resi 501 and name Y )
! ( segi GB3N and resi 41 and name CA )
! ( segi GB3N and resi 41 and name HA# ) -22.020 1.0 1.0
;
324 1 324 1 parsed_2oed 1
6 rcds_A_CN.dat 382 1 382 16 parsed_2oed 1
7
;
assign ( resi 501 and name OO )
( resi 501 and name Z )
( resi 501 and name X )
( resi 501 and name Y )
( segi GB3N and resi 10 and name C )
( segi GB3N and resi 11 and name N ) -0.012 0.125 0.125 1
assign ( resi 501 and name OO )
( resi 501 and name Z )
( resi 501 and name X )
( resi 501 and name Y )
( segi GB3N and resi 11 and name C )
( segi GB3N and resi 12 and name N ) -1.896 0.125 0.125 1
assign ( resi 501 and name OO )
( resi 501 and name Z )
( resi 501 and name X )
( resi 501 and name Y )
( segi GB3N and resi 24 and name C )
( segi GB3N and resi 25 and name N ) -1.320 0.125 0.125 1
assign ( resi 501 and name OO )
( resi 501 and name Z )
( resi 501 and name X )
( resi 501 and name Y )
( segi GB3N and resi 25 and name C )
( segi GB3N and resi 26 and name N ) 1.084 0.125 0.125 1
assign ( resi 501 and name OO )
( resi 501 and name Z )
( resi 501 and name X )
( resi 501 and name Y )
( segi GB3N and resi 26 and name C )
( segi GB3N and resi 27 and name N ) 1.820 0.125 0.125 1
assign ( resi 501 and name OO )
( resi 501 and name Z )
( resi 501 and name X )
( resi 501 and name Y )
( segi GB3N and resi 39 and name C )
( segi GB3N and resi 40 and name N ) -0.262 0.125 0.125 1
assign ( resi 501 and name OO )
( resi 501 and name Z )
( resi 501 and name X )
( resi 501 and name Y )
( segi GB3N and resi 40 and name C )
( segi GB3N and resi 41 and name N ) 0.222 0.125 0.125 1
assign ( resi 501 and name OO )
( resi 501 and name Z )
( resi 501 and name X )
( resi 501 and name Y )
( segi GB3N and resi 41 and name C )
( segi GB3N and resi 42 and name N ) 1.784 0.125 0.125 1
;
691 1 691 1 parsed_2oed 1
stop_
save_
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