NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
43086 |
2a36   |
5925 | cing | 2-parsed | STAR | dipolar coupling | 254 |
data_2a36_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2a36
_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_2a36 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2a36
_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 2a36 "Master copy" parsed_2a36
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2a36
_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 2a36.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2a36 1
1 2a36.mr . . PDB 2 coordinate ensemble "Not applicable" 0 parsed_2a36 1
1 2a36.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_2a36 1
1 2a36.mr . . XPLOR/CNS 4 distance NOE simple 909 parsed_2a36 1
1 2a36.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_2a36 1
1 2a36.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 254 parsed_2a36 1
1 2a36.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_2a36 1
1 2a36.mr . . XPLOR/CNS 8 distance "hydrogen bond" simple 0 parsed_2a36 1
1 2a36.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 parsed_2a36 1
1 2a36.mr . . XPLOR/CNS 10 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2a36 1
1 2a36.mr . . n/a 11 comment "Not applicable" "Not applicable" 0 parsed_2a36 1
1 2a36.mr . . XPLOR/CNS 12 "coupling constant" "Not applicable" "Not applicable" 0 parsed_2a36 1
1 2a36.mr . . n/a 13 comment "Not applicable" "Not applicable" 0 parsed_2a36 1
1 2a36.mr . . XPLOR/CNS 14 "coupling constant" "Not applicable" "Not applicable" 0 parsed_2a36 1
1 2a36.mr . . n/a 15 comment "Not applicable" "Not applicable" 0 parsed_2a36 1
1 2a36.mr . . "MR format" 16 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2a36 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_6
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2a36
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . 12.44 . . . . . 2 . N . 2 . HN parsed_2a36 1
2 . . . . . . . . . . . . . . . . 6.15 . . . . . 3 . N . 3 . HN parsed_2a36 1
3 . . . . . . . . . . . . . . . . 1.95 . . . . . 4 . N . 4 . HN parsed_2a36 1
4 . . . . . . . . . . . . . . . . -6.84 . . . . . 5 . N . 5 . HN parsed_2a36 1
5 . . . . . . . . . . . . . . . . 0.86 . . . . . 6 . N . 6 . HN parsed_2a36 1
6 . . . . . . . . . . . . . . . . -4.71 . . . . . 7 . N . 7 . HN parsed_2a36 1
7 . . . . . . . . . . . . . . . . -11.09 . . . . . 8 . N . 8 . HN parsed_2a36 1
8 . . . . . . . . . . . . . . . . -9.90 . . . . . 9 . N . 9 . HN parsed_2a36 1
9 . . . . . . . . . . . . . . . . -12.54 . . . . . 10 . N . 10 . HN parsed_2a36 1
10 . . . . . . . . . . . . . . . . -5.74 . . . . . 11 . N . 11 . HN parsed_2a36 1
11 . . . . . . . . . . . . . . . . 5.62 . . . . . 12 . N . 12 . HN parsed_2a36 1
12 . . . . . . . . . . . . . . . . 10.56 . . . . . 13 . N . 13 . HN parsed_2a36 1
13 . . . . . . . . . . . . . . . . 9.33 . . . . . 14 . N . 14 . HN parsed_2a36 1
14 . . . . . . . . . . . . . . . . -5.16 . . . . . 15 . N . 15 . HN parsed_2a36 1
15 . . . . . . . . . . . . . . . . 10.12 . . . . . 16 . N . 16 . HN parsed_2a36 1
16 . . . . . . . . . . . . . . . . 3.76 . . . . . 17 . N . 17 . HN parsed_2a36 1
17 . . . . . . . . . . . . . . . . -1.51 . . . . . 18 . N . 18 . HN parsed_2a36 1
18 . . . . . . . . . . . . . . . . -12.55 . . . . . 19 . N . 19 . HN parsed_2a36 1
19 . . . . . . . . . . . . . . . . -10.79 . . . . . 20 . N . 20 . HN parsed_2a36 1
20 . . . . . . . . . . . . . . . . -1.82 . . . . . 21 . N . 21 . HN parsed_2a36 1
21 . . . . . . . . . . . . . . . . -1.69 . . . . . 22 . N . 22 . HN parsed_2a36 1
22 . . . . . . . . . . . . . . . . -0.06 . . . . . 23 . N . 23 . HN parsed_2a36 1
23 . . . . . . . . . . . . . . . . -3.24 . . . . . 24 . N . 24 . HN parsed_2a36 1
24 . . . . . . . . . . . . . . . . 12.83 . . . . . 26 . N . 26 . HN parsed_2a36 1
25 . . . . . . . . . . . . . . . . 13.40 . . . . . 27 . N . 27 . HN parsed_2a36 1
26 . . . . . . . . . . . . . . . . 0.74 . . . . . 28 . N . 28 . HN parsed_2a36 1
27 . . . . . . . . . . . . . . . . -9.51 . . . . . 29 . N . 29 . HN parsed_2a36 1
28 . . . . . . . . . . . . . . . . -2.33 . . . . . 30 . N . 30 . HN parsed_2a36 1
29 . . . . . . . . . . . . . . . . -5.17 . . . . . 31 . N . 31 . HN parsed_2a36 1
30 . . . . . . . . . . . . . . . . -4.65 . . . . . 32 . N . 32 . HN parsed_2a36 1
31 . . . . . . . . . . . . . . . . -0.71 . . . . . 33 . N . 33 . HN parsed_2a36 1
32 . . . . . . . . . . . . . . . . -1.87 . . . . . 34 . N . 34 . HN parsed_2a36 1
33 . . . . . . . . . . . . . . . . 5.45 . . . . . 35 . N . 35 . HN parsed_2a36 1
34 . . . . . . . . . . . . . . . . -1.58 . . . . . 36 . N . 36 . HN parsed_2a36 1
35 . . . . . . . . . . . . . . . . -4.59 . . . . . 37 . N . 37 . HN parsed_2a36 1
36 . . . . . . . . . . . . . . . . 6.56 . . . . . 38 . N . 38 . HN parsed_2a36 1
37 . . . . . . . . . . . . . . . . 15.93 . . . . . 40 . N . 40 . HN parsed_2a36 1
38 . . . . . . . . . . . . . . . . 12.74 . . . . . 41 . N . 41 . HN parsed_2a36 1
39 . . . . . . . . . . . . . . . . 14.81 . . . . . 42 . N . 42 . HN parsed_2a36 1
40 . . . . . . . . . . . . . . . . 2.43 . . . . . 44 . N . 44 . HN parsed_2a36 1
41 . . . . . . . . . . . . . . . . 9.34 . . . . . 45 . N . 45 . HN parsed_2a36 1
42 . . . . . . . . . . . . . . . . 15.64 . . . . . 47 . N . 47 . HN parsed_2a36 1
43 . . . . . . . . . . . . . . . . 0.63 . . . . . 48 . N . 48 . HN parsed_2a36 1
44 . . . . . . . . . . . . . . . . 3.64 . . . . . 50 . N . 50 . HN parsed_2a36 1
45 . . . . . . . . . . . . . . . . 12.15 . . . . . 51 . N . 51 . HN parsed_2a36 1
46 . . . . . . . . . . . . . . . . -1.87 . . . . . 52 . N . 52 . HN parsed_2a36 1
47 . . . . . . . . . . . . . . . . -1.28 . . . . . 53 . N . 53 . HN parsed_2a36 1
48 . . . . . . . . . . . . . . . . -2.74 . . . . . 54 . N . 54 . HN parsed_2a36 1
49 . . . . . . . . . . . . . . . . -6.97 . . . . . 55 . N . 55 . HN parsed_2a36 1
50 . . . . . . . . . . . . . . . . 1.18 . . . . . 56 . N . 56 . HN parsed_2a36 1
51 . . . . . . . . . . . . . . . . -4.16 . . . . . 57 . N . 57 . HN parsed_2a36 1
52 . . . . . . . . . . . . . . . . -1.25 . . . . . 58 . N . 58 . HN parsed_2a36 1
53 . . . . . . . . . . . . . . . . -0.51 . . . . . 59 . N . 59 . HN parsed_2a36 1
54 . . . . . . . . . . . . . . . . -1.30 . . . . . 2 . N . 1 . C parsed_2a36 1
55 . . . . . . . . . . . . . . . . 1.69 . . . . . 3 . N . 2 . C parsed_2a36 1
56 . . . . . . . . . . . . . . . . -10.98 . . . . . 4 . N . 3 . C parsed_2a36 1
57 . . . . . . . . . . . . . . . . 5.69 . . . . . 5 . N . 4 . C parsed_2a36 1
58 . . . . . . . . . . . . . . . . -8.17 . . . . . 6 . N . 5 . C parsed_2a36 1
59 . . . . . . . . . . . . . . . . 13.95 . . . . . 7 . N . 6 . C parsed_2a36 1
60 . . . . . . . . . . . . . . . . 4.10 . . . . . 8 . N . 7 . C parsed_2a36 1
61 . . . . . . . . . . . . . . . . -1.07 . . . . . 9 . N . 8 . C parsed_2a36 1
62 . . . . . . . . . . . . . . . . 3.53 . . . . . 10 . N . 9 . C parsed_2a36 1
63 . . . . . . . . . . . . . . . . -7.99 . . . . . 11 . N . 10 . C parsed_2a36 1
64 . . . . . . . . . . . . . . . . -0.60 . . . . . 12 . N . 11 . C parsed_2a36 1
65 . . . . . . . . . . . . . . . . -9.32 . . . . . 13 . N . 12 . C parsed_2a36 1
66 . . . . . . . . . . . . . . . . -0.77 . . . . . 14 . N . 13 . C parsed_2a36 1
67 . . . . . . . . . . . . . . . . 0.43 . . . . . 15 . N . 14 . C parsed_2a36 1
68 . . . . . . . . . . . . . . . . -9.50 . . . . . 16 . N . 15 . C parsed_2a36 1
69 . . . . . . . . . . . . . . . . 12.46 . . . . . 17 . N . 16 . C parsed_2a36 1
70 . . . . . . . . . . . . . . . . 0.18 . . . . . 18 . N . 17 . C parsed_2a36 1
71 . . . . . . . . . . . . . . . . -3.61 . . . . . 19 . N . 18 . C parsed_2a36 1
72 . . . . . . . . . . . . . . . . 9.04 . . . . . 20 . N . 19 . C parsed_2a36 1
73 . . . . . . . . . . . . . . . . -9.27 . . . . . 21 . N . 20 . C parsed_2a36 1
74 . . . . . . . . . . . . . . . . 11.29 . . . . . 22 . N . 21 . C parsed_2a36 1
75 . . . . . . . . . . . . . . . . 13.19 . . . . . 23 . N . 22 . C parsed_2a36 1
76 . . . . . . . . . . . . . . . . -6.72 . . . . . 26 . N . 25 . C parsed_2a36 1
77 . . . . . . . . . . . . . . . . 8.32 . . . . . 27 . N . 26 . C parsed_2a36 1
78 . . . . . . . . . . . . . . . . 10.68 . . . . . 28 . N . 27 . C parsed_2a36 1
79 . . . . . . . . . . . . . . . . -7.33 . . . . . 29 . N . 28 . C parsed_2a36 1
80 . . . . . . . . . . . . . . . . 5.93 . . . . . 30 . N . 29 . C parsed_2a36 1
81 . . . . . . . . . . . . . . . . -3.35 . . . . . 31 . N . 30 . C parsed_2a36 1
82 . . . . . . . . . . . . . . . . 7.54 . . . . . 32 . N . 31 . C parsed_2a36 1
83 . . . . . . . . . . . . . . . . 1.79 . . . . . 33 . N . 32 . C parsed_2a36 1
84 . . . . . . . . . . . . . . . . 0.55 . . . . . 34 . N . 33 . C parsed_2a36 1
85 . . . . . . . . . . . . . . . . 7.55 . . . . . 35 . N . 34 . C parsed_2a36 1
86 . . . . . . . . . . . . . . . . -7.61 . . . . . 36 . N . 35 . C parsed_2a36 1
87 . . . . . . . . . . . . . . . . 0.58 . . . . . 37 . N . 36 . C parsed_2a36 1
88 . . . . . . . . . . . . . . . . -13.86 . . . . . 38 . N . 37 . C parsed_2a36 1
89 . . . . . . . . . . . . . . . . 1.28 . . . . . 40 . N . 39 . C parsed_2a36 1
90 . . . . . . . . . . . . . . . . 6.61 . . . . . 41 . N . 40 . C parsed_2a36 1
91 . . . . . . . . . . . . . . . . -3.29 . . . . . 42 . N . 41 . C parsed_2a36 1
92 . . . . . . . . . . . . . . . . -13.73 . . . . . 44 . N . 43 . C parsed_2a36 1
93 . . . . . . . . . . . . . . . . 1.54 . . . . . 45 . N . 44 . C parsed_2a36 1
94 . . . . . . . . . . . . . . . . -6.24 . . . . . 47 . N . 46 . C parsed_2a36 1
95 . . . . . . . . . . . . . . . . 8.26 . . . . . 48 . N . 47 . C parsed_2a36 1
96 . . . . . . . . . . . . . . . . 0.76 . . . . . 50 . N . 49 . C parsed_2a36 1
97 . . . . . . . . . . . . . . . . -9.00 . . . . . 51 . N . 50 . C parsed_2a36 1
98 . . . . . . . . . . . . . . . . -2.25 . . . . . 52 . N . 51 . C parsed_2a36 1
99 . . . . . . . . . . . . . . . . 1.27 . . . . . 53 . N . 52 . C parsed_2a36 1
100 . . . . . . . . . . . . . . . . 9.90 . . . . . 54 . N . 53 . C parsed_2a36 1
101 . . . . . . . . . . . . . . . . 0.64 . . . . . 55 . N . 54 . C parsed_2a36 1
102 . . . . . . . . . . . . . . . . -8.30 . . . . . 56 . N . 55 . C parsed_2a36 1
103 . . . . . . . . . . . . . . . . 4.16 . . . . . 57 . N . 56 . C parsed_2a36 1
104 . . . . . . . . . . . . . . . . -3.62 . . . . . 58 . N . 57 . C parsed_2a36 1
105 . . . . . . . . . . . . . . . . -0.10 . . . . . 59 . N . 58 . C parsed_2a36 1
106 . . . . . . . . . . . . . . . . -3.78 . . . . . 1 . C . 1 . CA parsed_2a36 1
107 . . . . . . . . . . . . . . . . -14.60 . . . . . 2 . C . 2 . CA parsed_2a36 1
108 . . . . . . . . . . . . . . . . -4.40 . . . . . 3 . C . 3 . CA parsed_2a36 1
109 . . . . . . . . . . . . . . . . -3.76 . . . . . 4 . C . 4 . CA parsed_2a36 1
110 . . . . . . . . . . . . . . . . -11.18 . . . . . 5 . C . 5 . CA parsed_2a36 1
111 . . . . . . . . . . . . . . . . -3.63 . . . . . 6 . C . 6 . CA parsed_2a36 1
112 . . . . . . . . . . . . . . . . 2.50 . . . . . 7 . C . 7 . CA parsed_2a36 1
113 . . . . . . . . . . . . . . . . -0.00 . . . . . 8 . C . 8 . CA parsed_2a36 1
114 . . . . . . . . . . . . . . . . -0.90 . . . . . 9 . C . 9 . CA parsed_2a36 1
115 . . . . . . . . . . . . . . . . 7.61 . . . . . 10 . C . 10 . CA parsed_2a36 1
116 . . . . . . . . . . . . . . . . 6.22 . . . . . 11 . C . 11 . CA parsed_2a36 1
117 . . . . . . . . . . . . . . . . 0.87 . . . . . 12 . C . 12 . CA parsed_2a36 1
118 . . . . . . . . . . . . . . . . -10.69 . . . . . 13 . C . 13 . CA parsed_2a36 1
119 . . . . . . . . . . . . . . . . -0.24 . . . . . 14 . C . 14 . CA parsed_2a36 1
120 . . . . . . . . . . . . . . . . 8.82 . . . . . 15 . C . 15 . CA parsed_2a36 1
121 . . . . . . . . . . . . . . . . -0.21 . . . . . 16 . C . 16 . CA parsed_2a36 1
122 . . . . . . . . . . . . . . . . -3.11 . . . . . 17 . C . 17 . CA parsed_2a36 1
123 . . . . . . . . . . . . . . . . 5.53 . . . . . 18 . C . 18 . CA parsed_2a36 1
124 . . . . . . . . . . . . . . . . -6.92 . . . . . 19 . C . 19 . CA parsed_2a36 1
125 . . . . . . . . . . . . . . . . 7.71 . . . . . 20 . C . 20 . CA parsed_2a36 1
126 . . . . . . . . . . . . . . . . -2.56 . . . . . 21 . C . 21 . CA parsed_2a36 1
127 . . . . . . . . . . . . . . . . -18.19 . . . . . 22 . C . 22 . CA parsed_2a36 1
128 . . . . . . . . . . . . . . . . -3.21 . . . . . 23 . C . 23 . CA parsed_2a36 1
129 . . . . . . . . . . . . . . . . -6.93 . . . . . 25 . C . 25 . CA parsed_2a36 1
130 . . . . . . . . . . . . . . . . 2.93 . . . . . 26 . C . 26 . CA parsed_2a36 1
131 . . . . . . . . . . . . . . . . -7.70 . . . . . 27 . C . 27 . CA parsed_2a36 1
132 . . . . . . . . . . . . . . . . 6.17 . . . . . 28 . C . 28 . CA parsed_2a36 1
133 . . . . . . . . . . . . . . . . -11.77 . . . . . 29 . C . 29 . CA parsed_2a36 1
134 . . . . . . . . . . . . . . . . -2.59 . . . . . 30 . C . 30 . CA parsed_2a36 1
135 . . . . . . . . . . . . . . . . -2.35 . . . . . 31 . C . 31 . CA parsed_2a36 1
136 . . . . . . . . . . . . . . . . -8.55 . . . . . 32 . C . 32 . CA parsed_2a36 1
137 . . . . . . . . . . . . . . . . 7.00 . . . . . 33 . C . 33 . CA parsed_2a36 1
138 . . . . . . . . . . . . . . . . 2.38 . . . . . 34 . C . 34 . CA parsed_2a36 1
139 . . . . . . . . . . . . . . . . 0.73 . . . . . 35 . C . 35 . CA parsed_2a36 1
140 . . . . . . . . . . . . . . . . -17.58 . . . . . 36 . C . 36 . CA parsed_2a36 1
141 . . . . . . . . . . . . . . . . -3.94 . . . . . 37 . C . 37 . CA parsed_2a36 1
142 . . . . . . . . . . . . . . . . 7.79 . . . . . 38 . C . 38 . CA parsed_2a36 1
143 . . . . . . . . . . . . . . . . -3.38 . . . . . 39 . C . 39 . CA parsed_2a36 1
144 . . . . . . . . . . . . . . . . 0.38 . . . . . 40 . C . 40 . CA parsed_2a36 1
145 . . . . . . . . . . . . . . . . 0.44 . . . . . 41 . C . 41 . CA parsed_2a36 1
146 . . . . . . . . . . . . . . . . 0.81 . . . . . 43 . C . 43 . CA parsed_2a36 1
147 . . . . . . . . . . . . . . . . 3.25 . . . . . 44 . C . 44 . CA parsed_2a36 1
148 . . . . . . . . . . . . . . . . -12.67 . . . . . 45 . C . 45 . CA parsed_2a36 1
149 . . . . . . . . . . . . . . . . -6.11 . . . . . 46 . C . 46 . CA parsed_2a36 1
150 . . . . . . . . . . . . . . . . -9.26 . . . . . 47 . C . 47 . CA parsed_2a36 1
151 . . . . . . . . . . . . . . . . 18.78 . . . . . 49 . C . 49 . CA parsed_2a36 1
152 . . . . . . . . . . . . . . . . -2.05 . . . . . 50 . C . 50 . CA parsed_2a36 1
153 . . . . . . . . . . . . . . . . 0.11 . . . . . 51 . C . 51 . CA parsed_2a36 1
154 . . . . . . . . . . . . . . . . -4.49 . . . . . 52 . C . 52 . CA parsed_2a36 1
155 . . . . . . . . . . . . . . . . 5.10 . . . . . 53 . C . 53 . CA parsed_2a36 1
156 . . . . . . . . . . . . . . . . -8.49 . . . . . 54 . C . 54 . CA parsed_2a36 1
157 . . . . . . . . . . . . . . . . 10.62 . . . . . 55 . C . 55 . CA parsed_2a36 1
158 . . . . . . . . . . . . . . . . 7.87 . . . . . 56 . C . 56 . CA parsed_2a36 1
159 . . . . . . . . . . . . . . . . 2.52 . . . . . 57 . C . 57 . CA parsed_2a36 1
160 . . . . . . . . . . . . . . . . 2.47 . . . . . 58 . C . 58 . CA parsed_2a36 1
161 . . . . . . . . . . . . . . . . 12.33 . . . . . 1 . CA . 1 . HA parsed_2a36 1
162 . . . . . . . . . . . . . . . . 14.41 . . . . . 2 . CA . 2 . HA parsed_2a36 1
163 . . . . . . . . . . . . . . . . 12.52 . . . . . 3 . CA . 3 . HA parsed_2a36 1
164 . . . . . . . . . . . . . . . . -3.50 . . . . . 4 . CA . 4 . HA parsed_2a36 1
165 . . . . . . . . . . . . . . . . -0.68 . . . . . 5 . CA . 5 . HA parsed_2a36 1
166 . . . . . . . . . . . . . . . . -2.42 . . . . . 7 . CA . 7 . HA parsed_2a36 1
167 . . . . . . . . . . . . . . . . -12.68 . . . . . 8 . CA . 8 . HA parsed_2a36 1
168 . . . . . . . . . . . . . . . . -13.16 . . . . . 9 . CA . 9 . HA parsed_2a36 1
169 . . . . . . . . . . . . . . . . -13.06 . . . . . 10 . CA . 10 . HA parsed_2a36 1
170 . . . . . . . . . . . . . . . . 3.45 . . . . . 11 . CA . 11 . HA parsed_2a36 1
171 . . . . . . . . . . . . . . . . 1.96 . . . . . 12 . CA . 12 . HA parsed_2a36 1
172 . . . . . . . . . . . . . . . . 14.03 . . . . . 13 . CA . 13 . HA parsed_2a36 1
173 . . . . . . . . . . . . . . . . -0.43 . . . . . 14 . CA . 14 . HA parsed_2a36 1
174 . . . . . . . . . . . . . . . . -12.41 . . . . . 15 . CA . 15 . HA parsed_2a36 1
175 . . . . . . . . . . . . . . . . 9.88 . . . . . 16 . CA . 16 . HA parsed_2a36 1
176 . . . . . . . . . . . . . . . . 5.64 . . . . . 17 . CA . 17 . HA parsed_2a36 1
177 . . . . . . . . . . . . . . . . -10.62 . . . . . 18 . CA . 18 . HA parsed_2a36 1
178 . . . . . . . . . . . . . . . . -7.29 . . . . . 19 . CA . 19 . HA parsed_2a36 1
179 . . . . . . . . . . . . . . . . -0.31 . . . . . 21 . CA . 21 . HA parsed_2a36 1
180 . . . . . . . . . . . . . . . . 2.41 . . . . . 25 . CA . 25 . HA parsed_2a36 1
181 . . . . . . . . . . . . . . . . 14.42 . . . . . 26 . CA . 26 . HA parsed_2a36 1
182 . . . . . . . . . . . . . . . . 9.57 . . . . . 27 . CA . 27 . HA parsed_2a36 1
183 . . . . . . . . . . . . . . . . 6.26 . . . . . 29 . CA . 29 . HA parsed_2a36 1
184 . . . . . . . . . . . . . . . . -0.36 . . . . . 30 . CA . 30 . HA parsed_2a36 1
185 . . . . . . . . . . . . . . . . -3.11 . . . . . 31 . CA . 31 . HA parsed_2a36 1
186 . . . . . . . . . . . . . . . . 2.22 . . . . . 32 . CA . 32 . HA parsed_2a36 1
187 . . . . . . . . . . . . . . . . -3.28 . . . . . 33 . CA . 33 . HA parsed_2a36 1
188 . . . . . . . . . . . . . . . . -2.04 . . . . . 34 . CA . 34 . HA parsed_2a36 1
189 . . . . . . . . . . . . . . . . 7.76 . . . . . 35 . CA . 35 . HA parsed_2a36 1
190 . . . . . . . . . . . . . . . . -2.55 . . . . . 36 . CA . 36 . HA parsed_2a36 1
191 . . . . . . . . . . . . . . . . -2.37 . . . . . 37 . CA . 37 . HA parsed_2a36 1
192 . . . . . . . . . . . . . . . . 7.05 . . . . . 38 . CA . 38 . HA parsed_2a36 1
193 . . . . . . . . . . . . . . . . 6.10 . . . . . 39 . CA . 39 . HA parsed_2a36 1
194 . . . . . . . . . . . . . . . . 15.75 . . . . . 40 . CA . 40 . HA parsed_2a36 1
195 . . . . . . . . . . . . . . . . 0.53 . . . . . 44 . CA . 44 . HA parsed_2a36 1
196 . . . . . . . . . . . . . . . . 7.24 . . . . . 47 . CA . 47 . HA parsed_2a36 1
197 . . . . . . . . . . . . . . . . 0.49 . . . . . 49 . CA . 49 . HA parsed_2a36 1
198 . . . . . . . . . . . . . . . . -8.74 . . . . . 50 . CA . 50 . HA parsed_2a36 1
199 . . . . . . . . . . . . . . . . 13.60 . . . . . 51 . CA . 51 . HA parsed_2a36 1
200 . . . . . . . . . . . . . . . . -10.94 . . . . . 52 . CA . 52 . HA parsed_2a36 1
201 . . . . . . . . . . . . . . . . -3.40 . . . . . 53 . CA . 53 . HA parsed_2a36 1
202 . . . . . . . . . . . . . . . . -3.21 . . . . . 54 . CA . 54 . HA parsed_2a36 1
203 . . . . . . . . . . . . . . . . 1.43 . . . . . 55 . CA . 55 . HA parsed_2a36 1
204 . . . . . . . . . . . . . . . . -5.90 . . . . . 56 . CA . 56 . HA parsed_2a36 1
205 . . . . . . . . . . . . . . . . -2.27 . . . . . 57 . CA . 57 . HA parsed_2a36 1
206 . . . . . . . . . . . . . . . . -2.09 . . . . . 58 . CA . 58 . HA parsed_2a36 1
207 . . . . . . . . . . . . . . . . -0.25 . . . . . 1 . CA . 1 . CB parsed_2a36 1
208 . . . . . . . . . . . . . . . . 1.00 . . . . . 2 . CA . 2 . CB parsed_2a36 1
209 . . . . . . . . . . . . . . . . 5.79 . . . . . 3 . CA . 3 . CB parsed_2a36 1
210 . . . . . . . . . . . . . . . . 11.68 . . . . . 4 . CA . 4 . CB parsed_2a36 1
211 . . . . . . . . . . . . . . . . 12.75 . . . . . 5 . CA . 5 . CB parsed_2a36 1
212 . . . . . . . . . . . . . . . . -0.16 . . . . . 7 . CA . 7 . CB parsed_2a36 1
213 . . . . . . . . . . . . . . . . 2.95 . . . . . 8 . CA . 8 . CB parsed_2a36 1
214 . . . . . . . . . . . . . . . . -1.24 . . . . . 9 . CA . 9 . CB parsed_2a36 1
215 . . . . . . . . . . . . . . . . 7.68 . . . . . 10 . CA . 10 . CB parsed_2a36 1
216 . . . . . . . . . . . . . . . . -14.30 . . . . . 11 . CA . 11 . CB parsed_2a36 1
217 . . . . . . . . . . . . . . . . -9.10 . . . . . 12 . CA . 12 . CB parsed_2a36 1
218 . . . . . . . . . . . . . . . . 2.46 . . . . . 13 . CA . 13 . CB parsed_2a36 1
219 . . . . . . . . . . . . . . . . 6.66 . . . . . 14 . CA . 14 . CB parsed_2a36 1
220 . . . . . . . . . . . . . . . . -2.24 . . . . . 15 . CA . 15 . CB parsed_2a36 1
221 . . . . . . . . . . . . . . . . -16.95 . . . . . 16 . CA . 16 . CB parsed_2a36 1
222 . . . . . . . . . . . . . . . . 7.10 . . . . . 17 . CA . 17 . CB parsed_2a36 1
223 . . . . . . . . . . . . . . . . 7.61 . . . . . 18 . CA . 18 . CB parsed_2a36 1
224 . . . . . . . . . . . . . . . . 9.39 . . . . . 19 . CA . 19 . CB parsed_2a36 1
225 . . . . . . . . . . . . . . . . -9.45 . . . . . 21 . CA . 21 . CB parsed_2a36 1
226 . . . . . . . . . . . . . . . . 1.11 . . . . . 22 . CA . 22 . CB parsed_2a36 1
227 . . . . . . . . . . . . . . . . 7.68 . . . . . 23 . CA . 23 . CB parsed_2a36 1
228 . . . . . . . . . . . . . . . . -4.81 . . . . . 25 . CA . 25 . CB parsed_2a36 1
229 . . . . . . . . . . . . . . . . -6.09 . . . . . 26 . CA . 26 . CB parsed_2a36 1
230 . . . . . . . . . . . . . . . . -0.86 . . . . . 27 . CA . 27 . CB parsed_2a36 1
231 . . . . . . . . . . . . . . . . 9.92 . . . . . 29 . CA . 29 . CB parsed_2a36 1
232 . . . . . . . . . . . . . . . . 5.56 . . . . . 30 . CA . 30 . CB parsed_2a36 1
233 . . . . . . . . . . . . . . . . -0.31 . . . . . 31 . CA . 31 . CB parsed_2a36 1
234 . . . . . . . . . . . . . . . . 4.66 . . . . . 32 . CA . 32 . CB parsed_2a36 1
235 . . . . . . . . . . . . . . . . 7.45 . . . . . 33 . CA . 33 . CB parsed_2a36 1
236 . . . . . . . . . . . . . . . . -2.38 . . . . . 34 . CA . 34 . CB parsed_2a36 1
237 . . . . . . . . . . . . . . . . -2.58 . . . . . 35 . CA . 35 . CB parsed_2a36 1
238 . . . . . . . . . . . . . . . . 17.19 . . . . . 36 . CA . 36 . CB parsed_2a36 1
239 . . . . . . . . . . . . . . . . 15.91 . . . . . 37 . CA . 37 . CB parsed_2a36 1
240 . . . . . . . . . . . . . . . . -5.41 . . . . . 38 . CA . 38 . CB parsed_2a36 1
241 . . . . . . . . . . . . . . . . -8.67 . . . . . 39 . CA . 39 . CB parsed_2a36 1
242 . . . . . . . . . . . . . . . . -12.07 . . . . . 40 . CA . 40 . CB parsed_2a36 1
243 . . . . . . . . . . . . . . . . -4.22 . . . . . 44 . CA . 44 . CB parsed_2a36 1
244 . . . . . . . . . . . . . . . . 3.53 . . . . . 47 . CA . 47 . CB parsed_2a36 1
245 . . . . . . . . . . . . . . . . -10.46 . . . . . 49 . CA . 49 . CB parsed_2a36 1
246 . . . . . . . . . . . . . . . . 0.17 . . . . . 50 . CA . 50 . CB parsed_2a36 1
247 . . . . . . . . . . . . . . . . -8.14 . . . . . 51 . CA . 51 . CB parsed_2a36 1
248 . . . . . . . . . . . . . . . . 13.64 . . . . . 52 . CA . 52 . CB parsed_2a36 1
249 . . . . . . . . . . . . . . . . -10.35 . . . . . 53 . CA . 53 . CB parsed_2a36 1
250 . . . . . . . . . . . . . . . . 2.22 . . . . . 54 . CA . 54 . CB parsed_2a36 1
251 . . . . . . . . . . . . . . . . 0.13 . . . . . 55 . CA . 55 . CB parsed_2a36 1
252 . . . . . . . . . . . . . . . . -4.31 . . . . . 56 . CA . 56 . CB parsed_2a36 1
253 . . . . . . . . . . . . . . . . -2.25 . . . . . 57 . CA . 57 . CB parsed_2a36 1
254 . . . . . . . . . . . . . . . . -4.60 . . . . . 58 . CA . 58 . CB parsed_2a36 1
stop_
loop_
_RDC_constraint_parse_err.ID
_RDC_constraint_parse_err.Content
_RDC_constraint_parse_err.Begin_line
_RDC_constraint_parse_err.Begin_column
_RDC_constraint_parse_err.End_line
_RDC_constraint_parse_err.End_column
_RDC_constraint_parse_err.Entry_ID
_RDC_constraint_parse_err.RDC_constraint_list_ID
1
;
#
# N-CO RDC
;
372 1 373 11 parsed_2a36 1
2
;
#
# CO-CA RDC
;
738 1 739 12 parsed_2a36 1
3
;
#
# CA-HA RDC
;
1125 1 1126 12 parsed_2a36 1
4
;
#
# CA-CB RDC
;
1449 1 1450 12 parsed_2a36 1
5
;
#
# Carbonyl chemical shift anisotropy constraints
;
1787 1 1788 48 parsed_2a36 1
6
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 1 and name N )
( resid 0 and name C )
( resid 0 and name O ) 73.333 73.333 40 39.11 10
;
1790 1 1796 58 parsed_2a36 1
7
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 2 and name N )
( resid 1 and name C )
( resid 1 and name O ) 73.333 73.333 40 -20.84 10
;
1798 1 1804 59 parsed_2a36 1
8
;
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 2 and name C )
( resid 2 and name O ) 73.333 73.333 40 -35.70 10
;
1806 1 1812 59 parsed_2a36 1
9
;
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 3 and name C )
( resid 3 and name O ) 73.333 73.333 40 9.12 10
;
1814 1 1820 58 parsed_2a36 1
10
;
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 4 and name C )
( resid 4 and name O ) 73.333 73.333 40 -71.60 10
;
1822 1 1828 59 parsed_2a36 1
11
;
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 5 and name C )
( resid 5 and name O ) 73.333 73.333 40 14.86 10
;
1830 1 1836 58 parsed_2a36 1
12
;
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 6 and name C )
( resid 6 and name O ) 73.333 73.333 40 53.11 10
;
1838 1 1844 58 parsed_2a36 1
13
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 8 and name N )
( resid 7 and name C )
( resid 7 and name O ) 73.333 73.333 40 -16.46 10
;
1846 1 1852 59 parsed_2a36 1
14
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 9 and name N )
( resid 8 and name C )
( resid 8 and name O ) 73.333 73.333 40 39.64 10
;
1854 1 1860 58 parsed_2a36 1
15
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 10 and name N )
( resid 9 and name C )
( resid 9 and name O ) 73.333 73.333 40 -58.15 10
;
1862 1 1868 59 parsed_2a36 1
16
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 11 and name N )
( resid 10 and name C )
( resid 10 and name O ) 73.333 73.333 40 12.04 10
;
1870 1 1876 58 parsed_2a36 1
17
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 12 and name N )
( resid 11 and name C )
( resid 11 and name O ) 73.333 73.333 40 2.05 10
;
1878 1 1884 58 parsed_2a36 1
18
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 13 and name N )
( resid 12 and name C )
( resid 12 and name O ) 73.333 73.333 40 -18.69 10
;
1886 1 1892 59 parsed_2a36 1
19
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 14 and name N )
( resid 13 and name C )
( resid 13 and name O ) 73.333 73.333 40 31.08 10
;
1894 1 1900 58 parsed_2a36 1
20
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 15 and name N )
( resid 14 and name C )
( resid 14 and name O ) 73.333 73.333 40 23.72 10
;
1902 1 1908 58 parsed_2a36 1
21
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 16 and name N )
( resid 15 and name C )
( resid 15 and name O ) 73.333 73.333 40 47.93 10
;
1910 1 1916 58 parsed_2a36 1
22
;
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 16 and name C )
( resid 16 and name O ) 73.333 73.333 40 -60.40 10
;
1918 1 1924 59 parsed_2a36 1
23
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 18 and name N )
( resid 17 and name C )
( resid 17 and name O ) 73.333 73.333 40 17.35 10
;
1926 1 1932 58 parsed_2a36 1
24
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 19 and name N )
( resid 18 and name C )
( resid 18 and name O ) 73.333 73.333 40 -29.43 10
;
1934 1 1940 59 parsed_2a36 1
25
;
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 19 and name C )
( resid 19 and name O ) 73.333 73.333 40 11.52 10
;
1942 1 1948 58 parsed_2a36 1
26
;
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 20 and name C )
( resid 20 and name O ) 73.333 73.333 40 20.03 10
;
1950 1 1956 58 parsed_2a36 1
27
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 22 and name N )
( resid 21 and name C )
( resid 21 and name O ) 73.333 73.333 40 -11.74 10
;
1958 1 1964 59 parsed_2a36 1
28
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 23 and name N )
( resid 22 and name C )
( resid 22 and name O ) 73.333 73.333 40 -51.08 10
;
1966 1 1972 59 parsed_2a36 1
29
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 25 and name N )
( resid 24 and name C )
( resid 24 and name O ) 73.333 73.333 40 -17.67 10
;
1974 1 1980 59 parsed_2a36 1
30
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 26 and name N )
( resid 25 and name C )
( resid 25 and name O ) 73.333 73.333 40 29.49 10
;
1982 1 1988 58 parsed_2a36 1
31
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 27 and name N )
( resid 26 and name C )
( resid 26 and name O ) 73.333 73.333 40 5.53 10
;
1990 1 1996 58 parsed_2a36 1
32
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 28 and name N )
( resid 27 and name C )
( resid 27 and name O ) 73.333 73.333 40 -47.32 10
;
1998 1 2004 59 parsed_2a36 1
33
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 29 and name N )
( resid 28 and name C )
( resid 28 and name O ) 73.333 73.333 40 -31.22 10
;
2006 1 2012 59 parsed_2a36 1
34
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 30 and name N )
( resid 29 and name C )
( resid 29 and name O ) 73.333 73.333 40 -16.38 10
;
2014 1 2020 59 parsed_2a36 1
35
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 31 and name N )
( resid 30 and name C )
( resid 30 and name O ) 73.333 73.333 40 23.29 10
;
2022 1 2028 58 parsed_2a36 1
36
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 32 and name N )
( resid 31 and name C )
( resid 31 and name O ) 73.333 73.333 40 -34.16 10
;
2030 1 2036 59 parsed_2a36 1
37
;
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 32 and name C )
( resid 32 and name O ) 73.333 73.333 40 10.52 10
;
2038 1 2044 58 parsed_2a36 1
38
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 34 and name N )
( resid 33 and name C )
( resid 33 and name O ) 73.333 73.333 40 20.01 10
;
2046 1 2052 58 parsed_2a36 1
39
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 35 and name N )
( resid 34 and name C )
( resid 34 and name O ) 73.333 73.333 40 -45.17 10
;
2054 1 2060 59 parsed_2a36 1
40
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 36 and name N )
( resid 35 and name C )
( resid 35 and name O ) 73.333 73.333 40 -43.93 10
;
2062 1 2068 59 parsed_2a36 1
41
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 37 and name N )
( resid 36 and name C )
( resid 36 and name O ) 73.333 73.333 40 -54.56 10
;
2070 1 2076 59 parsed_2a36 1
42
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 38 and name N )
( resid 37 and name C )
( resid 37 and name O ) 73.333 73.333 40 34.57 10
;
2078 1 2084 58 parsed_2a36 1
43
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 39 and name N )
( resid 38 and name C )
( resid 38 and name O ) 73.333 73.333 40 -3.26 10
;
2086 1 2092 58 parsed_2a36 1
44
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 40 and name N )
( resid 39 and name C )
( resid 39 and name O ) 73.333 73.333 40 42.76 10
;
2094 1 2100 58 parsed_2a36 1
45
;
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 40 and name C )
( resid 40 and name O ) 73.333 73.333 40 15.20 10
;
2102 1 2108 58 parsed_2a36 1
46
;
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 42 and name C )
( resid 42 and name O ) 73.333 73.333 40 -21.45 10
;
2110 1 2116 59 parsed_2a36 1
47
;
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 43 and name C )
( resid 43 and name O ) 73.333 73.333 40 -0.97 10
;
2118 1 2124 58 parsed_2a36 1
48
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 45 and name N )
( resid 44 and name C )
( resid 44 and name O ) 73.333 73.333 40 14.67 10
;
2126 1 2132 58 parsed_2a36 1
49
;
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 45 and name C )
( resid 45 and name O ) 73.333 73.333 40 -12.35 10
;
2134 1 2140 59 parsed_2a36 1
50
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 47 and name N )
( resid 46 and name C )
( resid 46 and name O ) 73.333 73.333 40 -9.91 10
;
2142 1 2148 58 parsed_2a36 1
51
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 49 and name N )
( resid 48 and name C )
( resid 48 and name O ) 73.333 73.333 40 70.92 10
;
2150 1 2156 58 parsed_2a36 1
52
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 50 and name N )
( resid 49 and name C )
( resid 49 and name O ) 73.333 73.333 40 -39.03 10
;
2158 1 2164 59 parsed_2a36 1
53
;
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 50 and name C )
( resid 50 and name O ) 73.333 73.333 40 -20.93 10
;
2166 1 2172 59 parsed_2a36 1
54
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 52 and name N )
( resid 51 and name C )
( resid 51 and name O ) 73.333 73.333 40 -2.35 10
;
2174 1 2180 58 parsed_2a36 1
55
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 53 and name N )
( resid 52 and name C )
( resid 52 and name O ) 73.333 73.333 40 60.78 10
;
2182 1 2188 58 parsed_2a36 1
56
;
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 53 and name C )
( resid 53 and name O ) 73.333 73.333 40 -46.48 10
;
2190 1 2196 59 parsed_2a36 1
57
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 55 and name N )
( resid 54 and name C )
( resid 54 and name O ) 73.333 73.333 40 -8.85 10
;
2198 1 2204 58 parsed_2a36 1
58
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 56 and name N )
( resid 55 and name C )
( resid 55 and name O ) 73.333 73.333 40 12.52 10
;
2206 1 2212 58 parsed_2a36 1
59
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 57 and name N )
( resid 56 and name C )
( resid 56 and name O ) 73.333 73.333 40 -16.45 10
;
2214 1 2220 59 parsed_2a36 1
60
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 58 and name N )
( resid 57 and name C )
( resid 57 and name O ) 73.333 73.333 40 22.51 10
;
2222 1 2228 58 parsed_2a36 1
stop_
save_
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