NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
562274 |
2lt2   |
17957 | cing | 2-parsed | STAR | dipolar coupling | 117 |
data_2lt2_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lt2
_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_2lt2 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lt2
_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 2lt2 "Master copy" parsed_2lt2
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lt2
_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 2lt2.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lt2 1
1 2lt2.mr . . XPLOR/CNS 2 distance NOE simple 997 parsed_2lt2 1
1 2lt2.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 172 parsed_2lt2 1
1 2lt2.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 117 parsed_2lt2 1
1 2lt2.mr . . XPLOR/CNS 5 distance NOE simple 0 parsed_2lt2 1
1 2lt2.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2lt2 1
1 2lt2.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2lt2 1
1 2lt2.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lt2 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2lt2
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . 0.3 . . . . . 8 . N . 8 . HN parsed_2lt2 1
2 . . . . . . . . . . . . . . . . 5.9 . . . . . 9 . N . 9 . HN parsed_2lt2 1
3 . . . . . . . . . . . . . . . . -8.9 . . . . . 10 . N . 10 . HN parsed_2lt2 1
4 . . . . . . . . . . . . . . . . -5.6 . . . . . 11 . N . 11 . HN parsed_2lt2 1
5 . . . . . . . . . . . . . . . . -0.1 . . . . . 12 . N . 12 . HN parsed_2lt2 1
6 . . . . . . . . . . . . . . . . -6.9 . . . . . 13 . N . 13 . HN parsed_2lt2 1
7 . . . . . . . . . . . . . . . . -15.1 . . . . . 14 . N . 14 . HN parsed_2lt2 1
8 . . . . . . . . . . . . . . . . -2.7 . . . . . 15 . N . 15 . HN parsed_2lt2 1
9 . . . . . . . . . . . . . . . . -2.1 . . . . . 16 . N . 16 . HN parsed_2lt2 1
10 . . . . . . . . . . . . . . . . -10.3 . . . . . 18 . N . 18 . HN parsed_2lt2 1
11 . . . . . . . . . . . . . . . . 1.5 . . . . . 19 . N . 19 . HN parsed_2lt2 1
12 . . . . . . . . . . . . . . . . -3.2 . . . . . 22 . N . 22 . HN parsed_2lt2 1
13 . . . . . . . . . . . . . . . . -1.3 . . . . . 23 . N . 23 . HN parsed_2lt2 1
14 . . . . . . . . . . . . . . . . -9.0 . . . . . 24 . N . 24 . HN parsed_2lt2 1
15 . . . . . . . . . . . . . . . . -4.0 . . . . . 25 . N . 25 . HN parsed_2lt2 1
16 . . . . . . . . . . . . . . . . 5.0 . . . . . 26 . N . 26 . HN parsed_2lt2 1
17 . . . . . . . . . . . . . . . . -1.3 . . . . . 27 . N . 27 . HN parsed_2lt2 1
18 . . . . . . . . . . . . . . . . 0.4 . . . . . 28 . N . 28 . HN parsed_2lt2 1
19 . . . . . . . . . . . . . . . . -0.6 . . . . . 29 . N . 29 . HN parsed_2lt2 1
20 . . . . . . . . . . . . . . . . -10.2 . . . . . 30 . N . 30 . HN parsed_2lt2 1
21 . . . . . . . . . . . . . . . . 2.9 . . . . . 31 . N . 31 . HN parsed_2lt2 1
22 . . . . . . . . . . . . . . . . 4.8 . . . . . 32 . N . 32 . HN parsed_2lt2 1
23 . . . . . . . . . . . . . . . . 16.8 . . . . . 34 . N . 34 . HN parsed_2lt2 1
24 . . . . . . . . . . . . . . . . 23.5 . . . . . 35 . N . 35 . HN parsed_2lt2 1
25 . . . . . . . . . . . . . . . . 14.6 . . . . . 36 . N . 36 . HN parsed_2lt2 1
26 . . . . . . . . . . . . . . . . 8.7 . . . . . 37 . N . 37 . HN parsed_2lt2 1
27 . . . . . . . . . . . . . . . . 11.1 . . . . . 38 . N . 38 . HN parsed_2lt2 1
28 . . . . . . . . . . . . . . . . 17.0 . . . . . 39 . N . 39 . HN parsed_2lt2 1
29 . . . . . . . . . . . . . . . . 16.3 . . . . . 40 . N . 40 . HN parsed_2lt2 1
30 . . . . . . . . . . . . . . . . -0.0 . . . . . 42 . N . 42 . HN parsed_2lt2 1
31 . . . . . . . . . . . . . . . . 21.8 . . . . . 45 . N . 45 . HN parsed_2lt2 1
32 . . . . . . . . . . . . . . . . 23.8 . . . . . 47 . N . 47 . HN parsed_2lt2 1
33 . . . . . . . . . . . . . . . . 26.7 . . . . . 48 . N . 48 . HN parsed_2lt2 1
34 . . . . . . . . . . . . . . . . 23.5 . . . . . 49 . N . 49 . HN parsed_2lt2 1
35 . . . . . . . . . . . . . . . . 25.0 . . . . . 50 . N . 50 . HN parsed_2lt2 1
36 . . . . . . . . . . . . . . . . 25.0 . . . . . 52 . N . 52 . HN parsed_2lt2 1
37 . . . . . . . . . . . . . . . . 25.0 . . . . . 53 . N . 53 . HN parsed_2lt2 1
38 . . . . . . . . . . . . . . . . 8.3 . . . . . 55 . N . 55 . HN parsed_2lt2 1
39 . . . . . . . . . . . . . . . . 17.1 . . . . . 56 . N . 56 . HN parsed_2lt2 1
40 . . . . . . . . . . . . . . . . -0.7 . . . . . 57 . N . 57 . HN parsed_2lt2 1
41 . . . . . . . . . . . . . . . . -10.5 . . . . . 58 . N . 58 . HN parsed_2lt2 1
42 . . . . . . . . . . . . . . . . -5.1 . . . . . 59 . N . 59 . HN parsed_2lt2 1
43 . . . . . . . . . . . . . . . . -15.8 . . . . . 60 . N . 60 . HN parsed_2lt2 1
44 . . . . . . . . . . . . . . . . -25.1 . . . . . 61 . N . 61 . HN parsed_2lt2 1
45 . . . . . . . . . . . . . . . . 19.0 . . . . . 62 . N . 62 . HN parsed_2lt2 1
46 . . . . . . . . . . . . . . . . 26.9 . . . . . 63 . N . 63 . HN parsed_2lt2 1
47 . . . . . . . . . . . . . . . . -24.5 . . . . . 64 . N . 64 . HN parsed_2lt2 1
48 . . . . . . . . . . . . . . . . 1.4 . . . . . 65 . N . 65 . HN parsed_2lt2 1
49 . . . . . . . . . . . . . . . . -4.6 . . . . . 66 . N . 66 . HN parsed_2lt2 1
50 . . . . . . . . . . . . . . . . 17.4 . . . . . 67 . N . 67 . HN parsed_2lt2 1
51 . . . . . . . . . . . . . . . . 21.4 . . . . . 69 . N . 69 . HN parsed_2lt2 1
52 . . . . . . . . . . . . . . . . 11.0 . . . . . 70 . N . 70 . HN parsed_2lt2 1
53 . . . . . . . . . . . . . . . . -8.5 . . . . . 72 . N . 72 . HN parsed_2lt2 1
54 . . . . . . . . . . . . . . . . 7.3 . . . . . 73 . N . 73 . HN parsed_2lt2 1
55 . . . . . . . . . . . . . . . . 13.1 . . . . . 74 . N . 74 . HN parsed_2lt2 1
56 . . . . . . . . . . . . . . . . 7.4 . . . . . 75 . N . 75 . HN parsed_2lt2 1
57 . . . . . . . . . . . . . . . . 16.4 . . . . . 76 . N . 76 . HN parsed_2lt2 1
58 . . . . . . . . . . . . . . . . 15.5 . . . . . 77 . N . 77 . HN parsed_2lt2 1
59 . . . . . . . . . . . . . . . . 17.9 . . . . . 78 . N . 78 . HN parsed_2lt2 1
60 . . . . . . . . . . . . . . . . -0.8 . . . . . 79 . N . 79 . HN parsed_2lt2 1
61 . . . . . . . . . . . . . . . . 16.7 . . . . . 80 . N . 80 . HN parsed_2lt2 1
62 . . . . . . . . . . . . . . . . -5.4 . . . . . 81 . N . 81 . HN parsed_2lt2 1
63 . . . . . . . . . . . . . . . . 2.6 . . . . . 83 . N . 83 . HN parsed_2lt2 1
64 . . . . . . . . . . . . . . . . 0.4 . . . . . 84 . N . 84 . HN parsed_2lt2 1
65 . . . . . . . . . . . . . . . . 6.2 . . . . . 85 . N . 85 . HN parsed_2lt2 1
66 . . . . . . . . . . . . . . . . 18.2 . . . . . 86 . N . 86 . HN parsed_2lt2 1
67 . . . . . . . . . . . . . . . . -6.3 . . . . . 87 . N . 87 . HN parsed_2lt2 1
68 . . . . . . . . . . . . . . . . 0.8 . . . . . 88 . N . 88 . HN parsed_2lt2 1
69 . . . . . . . . . . . . . . . . -13.5 . . . . . 89 . N . 89 . HN parsed_2lt2 1
70 . . . . . . . . . . . . . . . . -28.5 . . . . . 92 . N . 92 . HN parsed_2lt2 1
71 . . . . . . . . . . . . . . . . -10.7 . . . . . 93 . N . 93 . HN parsed_2lt2 1
72 . . . . . . . . . . . . . . . . -16.8 . . . . . 94 . N . 94 . HN parsed_2lt2 1
73 . . . . . . . . . . . . . . . . -9.0 . . . . . 95 . N . 95 . HN parsed_2lt2 1
74 . . . . . . . . . . . . . . . . -23.9 . . . . . 96 . N . 96 . HN parsed_2lt2 1
75 . . . . . . . . . . . . . . . . -17.5 . . . . . 97 . N . 97 . HN parsed_2lt2 1
76 . . . . . . . . . . . . . . . . -10.0 . . . . . 98 . N . 98 . HN parsed_2lt2 1
77 . . . . . . . . . . . . . . . . -11.0 . . . . . 99 . N . 99 . HN parsed_2lt2 1
78 . . . . . . . . . . . . . . . . -23.3 . . . . . 100 . N . 100 . HN parsed_2lt2 1
79 . . . . . . . . . . . . . . . . -12.0 . . . . . 101 . N . 101 . HN parsed_2lt2 1
80 . . . . . . . . . . . . . . . . -2.1 . . . . . 102 . N . 102 . HN parsed_2lt2 1
81 . . . . . . . . . . . . . . . . -11.5 . . . . . 103 . N . 103 . HN parsed_2lt2 1
82 . . . . . . . . . . . . . . . . -14.1 . . . . . 104 . N . 104 . HN parsed_2lt2 1
83 . . . . . . . . . . . . . . . . -4.7 . . . . . 105 . N . 105 . HN parsed_2lt2 1
84 . . . . . . . . . . . . . . . . 9.5 . . . . . 106 . N . 106 . HN parsed_2lt2 1
85 . . . . . . . . . . . . . . . . -23.1 . . . . . 107 . N . 107 . HN parsed_2lt2 1
86 . . . . . . . . . . . . . . . . 5.9 . . . . . 108 . N . 108 . HN parsed_2lt2 1
87 . . . . . . . . . . . . . . . . -6.4 . . . . . 109 . N . 109 . HN parsed_2lt2 1
88 . . . . . . . . . . . . . . . . -14.1 . . . . . 110 . N . 110 . HN parsed_2lt2 1
89 . . . . . . . . . . . . . . . . -3.8 . . . . . 111 . N . 111 . HN parsed_2lt2 1
90 . . . . . . . . . . . . . . . . -1.1 . . . . . 112 . N . 112 . HN parsed_2lt2 1
91 . . . . . . . . . . . . . . . . -10.1 . . . . . 114 . N . 114 . HN parsed_2lt2 1
92 . . . . . . . . . . . . . . . . 0.6 . . . . . 115 . N . 115 . HN parsed_2lt2 1
93 . . . . . . . . . . . . . . . . -3.4 . . . . . 116 . N . 116 . HN parsed_2lt2 1
94 . . . . . . . . . . . . . . . . -14.2 . . . . . 117 . N . 117 . HN parsed_2lt2 1
95 . . . . . . . . . . . . . . . . -8.8 . . . . . 118 . N . 118 . HN parsed_2lt2 1
96 . . . . . . . . . . . . . . . . 0.2 . . . . . 119 . N . 119 . HN parsed_2lt2 1
97 . . . . . . . . . . . . . . . . -8.4 . . . . . 120 . N . 120 . HN parsed_2lt2 1
98 . . . . . . . . . . . . . . . . -17.8 . . . . . 121 . N . 121 . HN parsed_2lt2 1
99 . . . . . . . . . . . . . . . . -3.6 . . . . . 122 . N . 122 . HN parsed_2lt2 1
100 . . . . . . . . . . . . . . . . -5.9 . . . . . 123 . N . 123 . HN parsed_2lt2 1
101 . . . . . . . . . . . . . . . . -14.2 . . . . . 124 . N . 124 . HN parsed_2lt2 1
102 . . . . . . . . . . . . . . . . -15.7 . . . . . 125 . N . 125 . HN parsed_2lt2 1
103 . . . . . . . . . . . . . . . . 8.4 . . . . . 126 . N . 126 . HN parsed_2lt2 1
104 . . . . . . . . . . . . . . . . -5.8 . . . . . 127 . N . 127 . HN parsed_2lt2 1
105 . . . . . . . . . . . . . . . . -10.0 . . . . . 128 . N . 128 . HN parsed_2lt2 1
106 . . . . . . . . . . . . . . . . -6.8 . . . . . 130 . N . 130 . HN parsed_2lt2 1
107 . . . . . . . . . . . . . . . . -1.6 . . . . . 131 . N . 131 . HN parsed_2lt2 1
108 . . . . . . . . . . . . . . . . -2.7 . . . . . 132 . N . 132 . HN parsed_2lt2 1
109 . . . . . . . . . . . . . . . . -3.1 . . . . . 133 . N . 133 . HN parsed_2lt2 1
110 . . . . . . . . . . . . . . . . -4.9 . . . . . 134 . N . 134 . HN parsed_2lt2 1
111 . . . . . . . . . . . . . . . . -3.5 . . . . . 135 . N . 135 . HN parsed_2lt2 1
112 . . . . . . . . . . . . . . . . 21.6 . . . . . 136 . N . 136 . HN parsed_2lt2 1
113 . . . . . . . . . . . . . . . . 8.3 . . . . . 137 . N . 137 . HN parsed_2lt2 1
114 . . . . . . . . . . . . . . . . 7.7 . . . . . 140 . N . 140 . HN parsed_2lt2 1
115 . . . . . . . . . . . . . . . . 7.4 . . . . . 141 . N . 141 . HN parsed_2lt2 1
116 . . . . . . . . . . . . . . . . 8.8 . . . . . 143 . N . 143 . HN parsed_2lt2 1
117 . . . . . . . . . . . . . . . . 19.4 . . . . . 144 . N . 144 . HN parsed_2lt2 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
;
MONOMER A (fago - agua)
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 3 and name N )
( resid 3 and name HN ) -7.3 1.0000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 4 and name N )
( resid 4 and name HN ) -2.9740 1.0000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 5 and name N )
( resid 5 and name HN ) -3.6273 1.0000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 6 and name N )
( resid 6 and name HN ) -7.3 1.0000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 7 and name N )
( resid 7 and name HN ) -0.071442 1.0000
;
1 1 35 56 parsed_2lt2 1
2
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 17 and name N )
( resid 17 and name HN ) -2.7 1.0000
;
102 1 107 55 parsed_2lt2 1
3
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 20 and name N )
( resid 20 and name HN ) 5.5 1.0000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 21 and name N )
( resid 21 and name HN ) 4.3634 1.0000
;
124 1 136 56 parsed_2lt2 1
4
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 33 and name N )
( resid 33 and name HN ) -4.4402 1.0000
;
215 1 220 56 parsed_2lt2 1
5
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 41 and name N )
( resid 41 and name HN ) -15.528 1.0000
;
271 1 276 58 parsed_2lt2 1
6
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 43 and name N )
( resid 43 and name HN ) -14.740 1.0000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 44 and name N )
( resid 44 and name HN ) 22.7 1.0000
;
285 1 297 57 parsed_2lt2 1
7
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 46 and name N )
( resid 46 and name HN ) -14.740 1.0000
;
306 1 311 58 parsed_2lt2 1
8
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 51 and name N )
( resid 51 and name HN ) -6.2836 1.0000
;
342 1 347 58 parsed_2lt2 1
9
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 54 and name N )
( resid 54 and name HN ) 4.5236 1.0000
;
363 1 368 53 parsed_2lt2 1
10
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 68 and name N )
( resid 68 and name HN ) -6.5808 1.0000
;
461 1 466 61 parsed_2lt2 1
11
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 71 and name N )
( resid 71 and name HN ) 4.9506 1.0000
;
482 1 487 58 parsed_2lt2 1
12
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 82 and name N )
( resid 82 and name HN ) 11.300 1.0000
;
559 1 564 58 parsed_2lt2 1
13
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 90 and name N )
( resid 90 and name HN ) 5.9123 1.0000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 91 and name N )
( resid 91 and name HN ) 10.147 1.0000
;
615 1 627 52 parsed_2lt2 1
14
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 113 and name N )
( resid 113 and name HN ) -10.101 1.0000
;
776 1 781 54 parsed_2lt2 1
15
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 129 and name N )
( resid 129 and name HN ) -1.7525 1.0000
;
889 1 894 54 parsed_2lt2 1
stop_
save_
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