NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
499960 |
2kqa   |
cing | 2-parsed | STAR | dipolar coupling | 264 |
data_2kqa_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kqa
_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_2kqa 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kqa
_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 2kqa "Master copy" parsed_2kqa
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kqa
_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 2kqa.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kqa 1
1 2kqa.mr . . XPLOR/CNS 2 distance NOE simple 3203 parsed_2kqa 1
1 2kqa.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 116 parsed_2kqa 1
1 2kqa.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 264 parsed_2kqa 1
1 2kqa.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2kqa 1
1 2kqa.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kqa 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2kqa
_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 . . . . . . . . . . . . . . . . -4.7 . . . . . 10 . C . 11 . HN parsed_2kqa 1
2 . . . . . . . . . . . . . . . . -7.0 . . . . . 11 . C . 12 . HN parsed_2kqa 1
3 . . . . . . . . . . . . . . . . -2.3 . . . . . 17 . C . 18 . HN parsed_2kqa 1
4 . . . . . . . . . . . . . . . . 0.0 . . . . . 18 . C . 19 . HN parsed_2kqa 1
5 . . . . . . . . . . . . . . . . -2.3 . . . . . 19 . C . 20 . HN parsed_2kqa 1
6 . . . . . . . . . . . . . . . . -2.3 . . . . . 20 . C . 21 . HN parsed_2kqa 1
7 . . . . . . . . . . . . . . . . -2.3 . . . . . 23 . C . 24 . HN parsed_2kqa 1
8 . . . . . . . . . . . . . . . . 2.3 . . . . . 24 . C . 25 . HN parsed_2kqa 1
9 . . . . . . . . . . . . . . . . 0.0 . . . . . 25 . C . 26 . HN parsed_2kqa 1
10 . . . . . . . . . . . . . . . . -7.0 . . . . . 28 . C . 29 . HN parsed_2kqa 1
11 . . . . . . . . . . . . . . . . -7.0 . . . . . 29 . C . 30 . HN parsed_2kqa 1
12 . . . . . . . . . . . . . . . . 2.3 . . . . . 31 . C . 32 . HN parsed_2kqa 1
13 . . . . . . . . . . . . . . . . 0.0 . . . . . 34 . C . 35 . HN parsed_2kqa 1
14 . . . . . . . . . . . . . . . . 2.3 . . . . . 35 . C . 36 . HN parsed_2kqa 1
15 . . . . . . . . . . . . . . . . 2.3 . . . . . 37 . C . 38 . HN parsed_2kqa 1
16 . . . . . . . . . . . . . . . . 7.0 . . . . . 38 . C . 39 . HN parsed_2kqa 1
17 . . . . . . . . . . . . . . . . 2.3 . . . . . 39 . C . 40 . HN parsed_2kqa 1
18 . . . . . . . . . . . . . . . . -11.7 . . . . . 41 . C . 42 . HN parsed_2kqa 1
19 . . . . . . . . . . . . . . . . -4.7 . . . . . 42 . C . 43 . HN parsed_2kqa 1
20 . . . . . . . . . . . . . . . . 11.7 . . . . . 47 . C . 48 . HN parsed_2kqa 1
21 . . . . . . . . . . . . . . . . 2.3 . . . . . 52 . C . 53 . HN parsed_2kqa 1
22 . . . . . . . . . . . . . . . . -4.7 . . . . . 56 . C . 57 . HN parsed_2kqa 1
23 . . . . . . . . . . . . . . . . -4.7 . . . . . 57 . C . 58 . HN parsed_2kqa 1
24 . . . . . . . . . . . . . . . . 0.0 . . . . . 60 . C . 61 . HN parsed_2kqa 1
25 . . . . . . . . . . . . . . . . 9.0 . . . . . 70 . C . 71 . HN parsed_2kqa 1
26 . . . . . . . . . . . . . . . . 0.0 . . . . . 71 . C . 72 . HN parsed_2kqa 1
27 . . . . . . . . . . . . . . . . 7.0 . . . . . 72 . C . 73 . HN parsed_2kqa 1
28 . . . . . . . . . . . . . . . . 0.0 . . . . . 76 . C . 77 . HN parsed_2kqa 1
29 . . . . . . . . . . . . . . . . -4.7 . . . . . 77 . C . 78 . HN parsed_2kqa 1
30 . . . . . . . . . . . . . . . . 4.5 . . . . . 78 . C . 79 . HN parsed_2kqa 1
31 . . . . . . . . . . . . . . . . -9.3 . . . . . 79 . C . 80 . HN parsed_2kqa 1
32 . . . . . . . . . . . . . . . . -2.3 . . . . . 81 . C . 82 . HN parsed_2kqa 1
33 . . . . . . . . . . . . . . . . 9.3 . . . . . 82 . C . 83 . HN parsed_2kqa 1
34 . . . . . . . . . . . . . . . . -7.0 . . . . . 84 . C . 85 . HN parsed_2kqa 1
35 . . . . . . . . . . . . . . . . 9.3 . . . . . 85 . C . 86 . HN parsed_2kqa 1
36 . . . . . . . . . . . . . . . . -9.3 . . . . . 86 . C . 87 . HN parsed_2kqa 1
37 . . . . . . . . . . . . . . . . 4.7 . . . . . 87 . C . 88 . HN parsed_2kqa 1
38 . . . . . . . . . . . . . . . . -2.3 . . . . . 89 . C . 90 . HN parsed_2kqa 1
39 . . . . . . . . . . . . . . . . 4.7 . . . . . 90 . C . 91 . HN parsed_2kqa 1
40 . . . . . . . . . . . . . . . . 0.000 . . . . . 93 . C . 94 . HN parsed_2kqa 1
41 . . . . . . . . . . . . . . . . 2.3 . . . . . 94 . C . 95 . HN parsed_2kqa 1
42 . . . . . . . . . . . . . . . . -11.7 . . . . . 98 . C . 99 . HN parsed_2kqa 1
43 . . . . . . . . . . . . . . . . 7.0 . . . . . 99 . C . 100 . HN parsed_2kqa 1
44 . . . . . . . . . . . . . . . . 4.7 . . . . . 100 . C . 101 . HN parsed_2kqa 1
45 . . . . . . . . . . . . . . . . -4.7 . . . . . 101 . C . 102 . HN parsed_2kqa 1
46 . . . . . . . . . . . . . . . . 9.3 . . . . . 103 . C . 104 . HN parsed_2kqa 1
47 . . . . . . . . . . . . . . . . -2.3 . . . . . 112 . C . 113 . HN parsed_2kqa 1
48 . . . . . . . . . . . . . . . . 0.0 . . . . . 113 . C . 114 . HN parsed_2kqa 1
49 . . . . . . . . . . . . . . . . 0.0 . . . . . 117 . C . 118 . HN parsed_2kqa 1
50 . . . . . . . . . . . . . . . . 9.3 . . . . . 120 . C . 121 . HN parsed_2kqa 1
51 . . . . . . . . . . . . . . . . 7.0 . . . . . 122 . C . 123 . HN parsed_2kqa 1
52 . . . . . . . . . . . . . . . . 0.0 . . . . . 124 . C . 125 . HN parsed_2kqa 1
53 . . . . . . . . . . . . . . . . -7.8 . . . . . 10 . HA . 10 . CA parsed_2kqa 1
54 . . . . . . . . . . . . . . . . -0.5 . . . . . 11 . HA . 11 . CA parsed_2kqa 1
55 . . . . . . . . . . . . . . . . 5.4 . . . . . 12 . HA . 12 . CA parsed_2kqa 1
56 . . . . . . . . . . . . . . . . 4.2 . . . . . 13 . HA . 13 . CA parsed_2kqa 1
57 . . . . . . . . . . . . . . . . -1.1 . . . . . 14 . HA . 14 . CA parsed_2kqa 1
58 . . . . . . . . . . . . . . . . -1.4 . . . . . 15 . HA . 15 . CA parsed_2kqa 1
59 . . . . . . . . . . . . . . . . 3.6 . . . . . 17 . HA . 17 . CA parsed_2kqa 1
60 . . . . . . . . . . . . . . . . 10.5 . . . . . 18 . HA . 18 . CA parsed_2kqa 1
61 . . . . . . . . . . . . . . . . -4.1 . . . . . 19 . HA . 19 . CA parsed_2kqa 1
62 . . . . . . . . . . . . . . . . -2.0 . . . . . 20 . HA . 20 . CA parsed_2kqa 1
63 . . . . . . . . . . . . . . . . 1.0 . . . . . 21 . HA . 21 . CA parsed_2kqa 1
64 . . . . . . . . . . . . . . . . -10.7 . . . . . 22 . HA . 22 . CA parsed_2kqa 1
65 . . . . . . . . . . . . . . . . -3.8 . . . . . 23 . HA . 23 . CA parsed_2kqa 1
66 . . . . . . . . . . . . . . . . -8.1 . . . . . 26 . HA . 26 . CA parsed_2kqa 1
67 . . . . . . . . . . . . . . . . 3.3 . . . . . 27 . HA . 27 . CA parsed_2kqa 1
68 . . . . . . . . . . . . . . . . 1.6 . . . . . 29 . HA . 29 . CA parsed_2kqa 1
69 . . . . . . . . . . . . . . . . -8.5 . . . . . 31 . HA . 31 . CA parsed_2kqa 1
70 . . . . . . . . . . . . . . . . 6.7 . . . . . 33 . HA . 33 . CA parsed_2kqa 1
71 . . . . . . . . . . . . . . . . -6.2 . . . . . 36 . HA . 36 . CA parsed_2kqa 1
72 . . . . . . . . . . . . . . . . 3.4 . . . . . 38 . HA . 38 . CA parsed_2kqa 1
73 . . . . . . . . . . . . . . . . 8.7 . . . . . 39 . HA . 39 . CA parsed_2kqa 1
74 . . . . . . . . . . . . . . . . -3.0 . . . . . 41 . HA . 41 . CA parsed_2kqa 1
75 . . . . . . . . . . . . . . . . -10.5 . . . . . 42 . HA . 42 . CA parsed_2kqa 1
76 . . . . . . . . . . . . . . . . 0.0 . . . . . 43 . HA . 43 . CA parsed_2kqa 1
77 . . . . . . . . . . . . . . . . -7.5 . . . . . 45 . HA . 45 . CA parsed_2kqa 1
78 . . . . . . . . . . . . . . . . 3.4 . . . . . 47 . HA . 47 . CA parsed_2kqa 1
79 . . . . . . . . . . . . . . . . -0.9 . . . . . 49 . HA . 49 . CA parsed_2kqa 1
80 . . . . . . . . . . . . . . . . -0.2 . . . . . 52 . HA . 52 . CA parsed_2kqa 1
81 . . . . . . . . . . . . . . . . -10.5 . . . . . 56 . HA . 56 . CA parsed_2kqa 1
82 . . . . . . . . . . . . . . . . -0.9 . . . . . 57 . HA . 57 . CA parsed_2kqa 1
83 . . . . . . . . . . . . . . . . -0.2 . . . . . 58 . HA . 58 . CA parsed_2kqa 1
84 . . . . . . . . . . . . . . . . 1.4 . . . . . 61 . HA . 61 . CA parsed_2kqa 1
85 . . . . . . . . . . . . . . . . -1.6 . . . . . 62 . HA . 62 . CA parsed_2kqa 1
86 . . . . . . . . . . . . . . . . -7.4 . . . . . 65 . HA . 65 . CA parsed_2kqa 1
87 . . . . . . . . . . . . . . . . 3.7 . . . . . 66 . HA . 66 . CA parsed_2kqa 1
88 . . . . . . . . . . . . . . . . -6.1 . . . . . 68 . HA . 68 . CA parsed_2kqa 1
89 . . . . . . . . . . . . . . . . 0.8 . . . . . 69 . HA . 69 . CA parsed_2kqa 1
90 . . . . . . . . . . . . . . . . 0.1 . . . . . 72 . HA . 72 . CA parsed_2kqa 1
91 . . . . . . . . . . . . . . . . -3.2 . . . . . 73 . HA . 73 . CA parsed_2kqa 1
92 . . . . . . . . . . . . . . . . -5.8 . . . . . 74 . HA . 74 . CA parsed_2kqa 1
93 . . . . . . . . . . . . . . . . -0.9 . . . . . 75 . HA . 75 . CA parsed_2kqa 1
94 . . . . . . . . . . . . . . . . -10.0 . . . . . 78 . HA . 78 . CA parsed_2kqa 1
95 . . . . . . . . . . . . . . . . -10.1 . . . . . 79 . HA . 79 . CA parsed_2kqa 1
96 . . . . . . . . . . . . . . . . -6.7 . . . . . 80 . HA . 80 . CA parsed_2kqa 1
97 . . . . . . . . . . . . . . . . 6.9 . . . . . 81 . HA . 81 . CA parsed_2kqa 1
98 . . . . . . . . . . . . . . . . 1.2 . . . . . 83 . HA . 83 . CA parsed_2kqa 1
99 . . . . . . . . . . . . . . . . 5.8 . . . . . 85 . HA . 85 . CA parsed_2kqa 1
100 . . . . . . . . . . . . . . . . 3.4 . . . . . 86 . HA . 86 . CA parsed_2kqa 1
101 . . . . . . . . . . . . . . . . -0.7 . . . . . 89 . HA . 89 . CA parsed_2kqa 1
102 . . . . . . . . . . . . . . . . 7.6 . . . . . 92 . HA . 92 . CA parsed_2kqa 1
103 . . . . . . . . . . . . . . . . 8.4 . . . . . 93 . HA . 93 . CA parsed_2kqa 1
104 . . . . . . . . . . . . . . . . 5.9 . . . . . 94 . HA . 94 . CA parsed_2kqa 1
105 . . . . . . . . . . . . . . . . 9.6 . . . . . 96 . HA . 96 . CA parsed_2kqa 1
106 . . . . . . . . . . . . . . . . 3.3 . . . . . 97 . HA . 97 . CA parsed_2kqa 1
107 . . . . . . . . . . . . . . . . -10.8 . . . . . 98 . HA . 98 . CA parsed_2kqa 1
108 . . . . . . . . . . . . . . . . 3.6 . . . . . 99 . HA . 99 . CA parsed_2kqa 1
109 . . . . . . . . . . . . . . . . 5.2 . . . . . 100 . HA . 100 . CA parsed_2kqa 1
110 . . . . . . . . . . . . . . . . -2.3 . . . . . 101 . HA . 101 . CA parsed_2kqa 1
111 . . . . . . . . . . . . . . . . -10.3 . . . . . 102 . HA . 102 . CA parsed_2kqa 1
112 . . . . . . . . . . . . . . . . 4.57 . . . . . 103 . HA . 103 . CA parsed_2kqa 1
113 . . . . . . . . . . . . . . . . 6.3 . . . . . 112 . HA . 112 . CA parsed_2kqa 1
114 . . . . . . . . . . . . . . . . 0.4 . . . . . 113 . HA . 113 . CA parsed_2kqa 1
115 . . . . . . . . . . . . . . . . -2.8 . . . . . 114 . HA . 114 . CA parsed_2kqa 1
116 . . . . . . . . . . . . . . . . -4.4 . . . . . 115 . HA . 115 . CA parsed_2kqa 1
117 . . . . . . . . . . . . . . . . -1.1 . . . . . 116 . HA . 116 . CA parsed_2kqa 1
118 . . . . . . . . . . . . . . . . 1.2 . . . . . 118 . HA . 118 . CA parsed_2kqa 1
119 . . . . . . . . . . . . . . . . 1.2 . . . . . 119 . HA . 119 . CA parsed_2kqa 1
120 . . . . . . . . . . . . . . . . -6.2 . . . . . 121 . HA . 121 . CA parsed_2kqa 1
121 . . . . . . . . . . . . . . . . -8.0 . . . . . 123 . HA . 123 . CA parsed_2kqa 1
122 . . . . . . . . . . . . . . . . 6.0 . . . . . 124 . HA . 124 . CA parsed_2kqa 1
123 . . . . . . . . . . . . . . . . -5.6 . . . . . 125 . HA . 125 . CA parsed_2kqa 1
124 . . . . . . . . . . . . . . . . -2.4 . . . . . 10 . C . 11 . N parsed_2kqa 1
125 . . . . . . . . . . . . . . . . -4.1 . . . . . 11 . C . 12 . N parsed_2kqa 1
126 . . . . . . . . . . . . . . . . -0.6 . . . . . 13 . C . 14 . N parsed_2kqa 1
127 . . . . . . . . . . . . . . . . 8.3 . . . . . 18 . C . 19 . N parsed_2kqa 1
128 . . . . . . . . . . . . . . . . -4.7 . . . . . 19 . C . 20 . N parsed_2kqa 1
129 . . . . . . . . . . . . . . . . -10.2 . . . . . 20 . C . 21 . N parsed_2kqa 1
130 . . . . . . . . . . . . . . . . 4.1 . . . . . 21 . C . 22 . N parsed_2kqa 1
131 . . . . . . . . . . . . . . . . 0.6 . . . . . 23 . C . 24 . N parsed_2kqa 1
132 . . . . . . . . . . . . . . . . -4.7 . . . . . 24 . C . 25 . N parsed_2kqa 1
133 . . . . . . . . . . . . . . . . 9.5 . . . . . 25 . C . 26 . N parsed_2kqa 1
134 . . . . . . . . . . . . . . . . -13.6 . . . . . 28 . C . 29 . N parsed_2kqa 1
135 . . . . . . . . . . . . . . . . -1.8 . . . . . 29 . C . 30 . N parsed_2kqa 1
136 . . . . . . . . . . . . . . . . 5.3 . . . . . 31 . C . 32 . N parsed_2kqa 1
137 . . . . . . . . . . . . . . . . 5.3 . . . . . 32 . C . 33 . N parsed_2kqa 1
138 . . . . . . . . . . . . . . . . 1.8 . . . . . 34 . C . 35 . N parsed_2kqa 1
139 . . . . . . . . . . . . . . . . -7.1 . . . . . 36 . C . 37 . N parsed_2kqa 1
140 . . . . . . . . . . . . . . . . -5.3 . . . . . 37 . C . 38 . N parsed_2kqa 1
141 . . . . . . . . . . . . . . . . -3.0 . . . . . 38 . C . 39 . N parsed_2kqa 1
142 . . . . . . . . . . . . . . . . 3.5 . . . . . 39 . C . 40 . N parsed_2kqa 1
143 . . . . . . . . . . . . . . . . -3.0 . . . . . 41 . C . 42 . N parsed_2kqa 1
144 . . . . . . . . . . . . . . . . 5.9 . . . . . 47 . C . 48 . N parsed_2kqa 1
145 . . . . . . . . . . . . . . . . -5.9 . . . . . 52 . C . 53 . N parsed_2kqa 1
146 . . . . . . . . . . . . . . . . -3.0 . . . . . 57 . C . 58 . N parsed_2kqa 1
147 . . . . . . . . . . . . . . . . 5.9 . . . . . 60 . C . 61 . N parsed_2kqa 1
148 . . . . . . . . . . . . . . . . 0.0 . . . . . 61 . C . 62 . N parsed_2kqa 1
149 . . . . . . . . . . . . . . . . -3.5 . . . . . 66 . C . 67 . N parsed_2kqa 1
150 . . . . . . . . . . . . . . . . 6.5 . . . . . 70 . C . 71 . N parsed_2kqa 1
151 . . . . . . . . . . . . . . . . 2.4 . . . . . 71 . C . 72 . N parsed_2kqa 1
152 . . . . . . . . . . . . . . . . 11.8 . . . . . 72 . C . 73 . N parsed_2kqa 1
153 . . . . . . . . . . . . . . . . 10.3 . . . . . 76 . C . 77 . N parsed_2kqa 1
154 . . . . . . . . . . . . . . . . 3.5 . . . . . 77 . C . 78 . N parsed_2kqa 1
155 . . . . . . . . . . . . . . . . 10.6 . . . . . 78 . C . 79 . N parsed_2kqa 1
156 . . . . . . . . . . . . . . . . 2.3 . . . . . 79 . C . 80 . N parsed_2kqa 1
157 . . . . . . . . . . . . . . . . -2.4 . . . . . 81 . C . 82 . N parsed_2kqa 1
158 . . . . . . . . . . . . . . . . 14.7 . . . . . 82 . C . 83 . N parsed_2kqa 1
159 . . . . . . . . . . . . . . . . -10.1 . . . . . 84 . C . 85 . N parsed_2kqa 1
160 . . . . . . . . . . . . . . . . 3.6 . . . . . 85 . C . 86 . N parsed_2kqa 1
161 . . . . . . . . . . . . . . . . -7.7 . . . . . 86 . C . 87 . N parsed_2kqa 1
162 . . . . . . . . . . . . . . . . 7.8 . . . . . 87 . C . 88 . N parsed_2kqa 1
163 . . . . . . . . . . . . . . . . -7.1 . . . . . 88 . C . 89 . N parsed_2kqa 1
164 . . . . . . . . . . . . . . . . 0.0 . . . . . 90 . C . 91 . N parsed_2kqa 1
165 . . . . . . . . . . . . . . . . 1.8 . . . . . 93 . C . 94 . N parsed_2kqa 1
166 . . . . . . . . . . . . . . . . 0.0 . . . . . 94 . C . 95 . N parsed_2kqa 1
167 . . . . . . . . . . . . . . . . -1.2 . . . . . 96 . C . 97 . N parsed_2kqa 1
168 . . . . . . . . . . . . . . . . -14.2 . . . . . 98 . C . 99 . N parsed_2kqa 1
169 . . . . . . . . . . . . . . . . -1.2 . . . . . 99 . C . 100 . N parsed_2kqa 1
170 . . . . . . . . . . . . . . . . 7.5 . . . . . 100 . C . 101 . N parsed_2kqa 1
171 . . . . . . . . . . . . . . . . -7.7 . . . . . 101 . C . 102 . N parsed_2kqa 1
172 . . . . . . . . . . . . . . . . 5.3 . . . . . 103 . C . 104 . N parsed_2kqa 1
173 . . . . . . . . . . . . . . . . 8.8 . . . . . 113 . C . 114 . N parsed_2kqa 1
174 . . . . . . . . . . . . . . . . 1.2 . . . . . 115 . C . 116 . N parsed_2kqa 1
175 . . . . . . . . . . . . . . . . 1.8 . . . . . 116 . C . 117 . N parsed_2kqa 1
176 . . . . . . . . . . . . . . . . 0.6 . . . . . 117 . C . 118 . N parsed_2kqa 1
177 . . . . . . . . . . . . . . . . 8.3 . . . . . 120 . C . 121 . N parsed_2kqa 1
178 . . . . . . . . . . . . . . . . -9.5 . . . . . 121 . C . 122 . N parsed_2kqa 1
179 . . . . . . . . . . . . . . . . 13.6 . . . . . 122 . C . 123 . N parsed_2kqa 1
180 . . . . . . . . . . . . . . . . 4.7 . . . . . 124 . C . 125 . N parsed_2kqa 1
181 . . . . . . . . . . . . . . . . -3.8 . . . . . 11 . N . 11 . HN parsed_2kqa 1
182 . . . . . . . . . . . . . . . . 5.9 . . . . . 12 . N . 12 . HN parsed_2kqa 1
183 . . . . . . . . . . . . . . . . 6.1 . . . . . 13 . N . 13 . HN parsed_2kqa 1
184 . . . . . . . . . . . . . . . . -3.8 . . . . . 14 . N . 14 . HN parsed_2kqa 1
185 . . . . . . . . . . . . . . . . -4.7 . . . . . 15 . N . 15 . HN parsed_2kqa 1
186 . . . . . . . . . . . . . . . . 7.4 . . . . . 18 . N . 18 . HN parsed_2kqa 1
187 . . . . . . . . . . . . . . . . -7.2 . . . . . 19 . N . 19 . HN parsed_2kqa 1
188 . . . . . . . . . . . . . . . . 0.9 . . . . . 20 . N . 20 . HN parsed_2kqa 1
189 . . . . . . . . . . . . . . . . 2.8 . . . . . 21 . N . 21 . HN parsed_2kqa 1
190 . . . . . . . . . . . . . . . . -0.6 . . . . . 22 . N . 22 . HN parsed_2kqa 1
191 . . . . . . . . . . . . . . . . -7.3 . . . . . 23 . N . 23 . HN parsed_2kqa 1
192 . . . . . . . . . . . . . . . . 3.5 . . . . . 24 . N . 24 . HN parsed_2kqa 1
193 . . . . . . . . . . . . . . . . 4.3 . . . . . 25 . N . 25 . HN parsed_2kqa 1
194 . . . . . . . . . . . . . . . . -5.3 . . . . . 26 . N . 26 . HN parsed_2kqa 1
195 . . . . . . . . . . . . . . . . 2.8 . . . . . 27 . N . 27 . HN parsed_2kqa 1
196 . . . . . . . . . . . . . . . . 3.8 . . . . . 29 . N . 29 . HN parsed_2kqa 1
197 . . . . . . . . . . . . . . . . -2.6 . . . . . 30 . N . 30 . HN parsed_2kqa 1
198 . . . . . . . . . . . . . . . . -5.5 . . . . . 31 . N . 31 . HN parsed_2kqa 1
199 . . . . . . . . . . . . . . . . 5.9 . . . . . 32 . N . 32 . HN parsed_2kqa 1
200 . . . . . . . . . . . . . . . . -1.7 . . . . . 33 . N . 33 . HN parsed_2kqa 1
201 . . . . . . . . . . . . . . . . -7.9 . . . . . 34 . N . 34 . HN parsed_2kqa 1
202 . . . . . . . . . . . . . . . . 0.7 . . . . . 35 . N . 35 . HN parsed_2kqa 1
203 . . . . . . . . . . . . . . . . -3.6 . . . . . 36 . N . 36 . HN parsed_2kqa 1
204 . . . . . . . . . . . . . . . . 3.1 . . . . . 38 . N . 38 . HN parsed_2kqa 1
205 . . . . . . . . . . . . . . . . 5.6 . . . . . 39 . N . 39 . HN parsed_2kqa 1
206 . . . . . . . . . . . . . . . . 0.2 . . . . . 40 . N . 40 . HN parsed_2kqa 1
207 . . . . . . . . . . . . . . . . -8.9 . . . . . 42 . N . 42 . HN parsed_2kqa 1
208 . . . . . . . . . . . . . . . . -5.1 . . . . . 44 . N . 44 . HN parsed_2kqa 1
209 . . . . . . . . . . . . . . . . -4.1 . . . . . 45 . N . 45 . HN parsed_2kqa 1
210 . . . . . . . . . . . . . . . . 1.3 . . . . . 48 . N . 48 . HN parsed_2kqa 1
211 . . . . . . . . . . . . . . . . 7.5 . . . . . 49 . N . 49 . HN parsed_2kqa 1
212 . . . . . . . . . . . . . . . . -0.9 . . . . . 53 . N . 53 . HN parsed_2kqa 1
213 . . . . . . . . . . . . . . . . 1.3 . . . . . 54 . N . 54 . HN parsed_2kqa 1
214 . . . . . . . . . . . . . . . . 3.3 . . . . . 55 . N . 55 . HN parsed_2kqa 1
215 . . . . . . . . . . . . . . . . -6.1 . . . . . 57 . N . 57 . HN parsed_2kqa 1
216 . . . . . . . . . . . . . . . . 2.4 . . . . . 58 . N . 58 . HN parsed_2kqa 1
217 . . . . . . . . . . . . . . . . -2.1 . . . . . 59 . N . 59 . HN parsed_2kqa 1
218 . . . . . . . . . . . . . . . . -8.3 . . . . . 60 . N . 60 . HN parsed_2kqa 1
219 . . . . . . . . . . . . . . . . 3.3 . . . . . 62 . N . 62 . HN parsed_2kqa 1
220 . . . . . . . . . . . . . . . . -9.1 . . . . . 65 . N . 65 . HN parsed_2kqa 1
221 . . . . . . . . . . . . . . . . -1.6 . . . . . 66 . N . 66 . HN parsed_2kqa 1
222 . . . . . . . . . . . . . . . . -3.0 . . . . . 67 . N . 67 . HN parsed_2kqa 1
223 . . . . . . . . . . . . . . . . -1.7 . . . . . 69 . N . 69 . HN parsed_2kqa 1
224 . . . . . . . . . . . . . . . . 2.1 . . . . . 70 . N . 70 . HN parsed_2kqa 1
225 . . . . . . . . . . . . . . . . 2.9 . . . . . 71 . N . 71 . HN parsed_2kqa 1
226 . . . . . . . . . . . . . . . . 3.0 . . . . . 72 . N . 72 . HN parsed_2kqa 1
227 . . . . . . . . . . . . . . . . -2.3 . . . . . 73 . N . 73 . HN parsed_2kqa 1
228 . . . . . . . . . . . . . . . . -0.4 . . . . . 76 . N . 76 . HN parsed_2kqa 1
229 . . . . . . . . . . . . . . . . -7.2 . . . . . 77 . N . 77 . HN parsed_2kqa 1
230 . . . . . . . . . . . . . . . . -4.4 . . . . . 78 . N . 78 . HN parsed_2kqa 1
231 . . . . . . . . . . . . . . . . -5.8 . . . . . 79 . N . 79 . HN parsed_2kqa 1
232 . . . . . . . . . . . . . . . . 1.3 . . . . . 81 . N . 81 . HN parsed_2kqa 1
233 . . . . . . . . . . . . . . . . 5.6 . . . . . 82 . N . 82 . HN parsed_2kqa 1
234 . . . . . . . . . . . . . . . . 2.8 . . . . . 83 . N . 83 . HN parsed_2kqa 1
235 . . . . . . . . . . . . . . . . -4.5 . . . . . 84 . N . 84 . HN parsed_2kqa 1
236 . . . . . . . . . . . . . . . . 3.1 . . . . . 85 . N . 85 . HN parsed_2kqa 1
237 . . . . . . . . . . . . . . . . 3.5 . . . . . 86 . N . 86 . HN parsed_2kqa 1
238 . . . . . . . . . . . . . . . . -0.2 . . . . . 87 . N . 87 . HN parsed_2kqa 1
239 . . . . . . . . . . . . . . . . -1.2 . . . . . 88 . N . 88 . HN parsed_2kqa 1
240 . . . . . . . . . . . . . . . . 3.1 . . . . . 90 . N . 90 . HN parsed_2kqa 1
241 . . . . . . . . . . . . . . . . 5.7 . . . . . 91 . N . 91 . HN parsed_2kqa 1
242 . . . . . . . . . . . . . . . . 6.6 . . . . . 92 . N . 92 . HN parsed_2kqa 1
243 . . . . . . . . . . . . . . . . 6.6 . . . . . 94 . N . 94 . HN parsed_2kqa 1
244 . . . . . . . . . . . . . . . . -1.8 . . . . . 95 . N . 95 . HN parsed_2kqa 1
245 . . . . . . . . . . . . . . . . 5.8 . . . . . 97 . N . 97 . HN parsed_2kqa 1
246 . . . . . . . . . . . . . . . . -1.6 . . . . . 98 . N . 98 . HN parsed_2kqa 1
247 . . . . . . . . . . . . . . . . 0.6 . . . . . 99 . N . 99 . HN parsed_2kqa 1
248 . . . . . . . . . . . . . . . . 5.7 . . . . . 100 . N . 100 . HN parsed_2kqa 1
249 . . . . . . . . . . . . . . . . 3.9 . . . . . 101 . N . 101 . HN parsed_2kqa 1
250 . . . . . . . . . . . . . . . . -2.4 . . . . . 102 . N . 102 . HN parsed_2kqa 1
251 . . . . . . . . . . . . . . . . 2.1 . . . . . 103 . N . 103 . HN parsed_2kqa 1
252 . . . . . . . . . . . . . . . . 6.7 . . . . . 104 . N . 104 . HN parsed_2kqa 1
253 . . . . . . . . . . . . . . . . 2.9 . . . . . 112 . N . 112 . HN parsed_2kqa 1
254 . . . . . . . . . . . . . . . . -7.0 . . . . . 113 . N . 113 . HN parsed_2kqa 1
255 . . . . . . . . . . . . . . . . -10.0 . . . . . 114 . N . 114 . HN parsed_2kqa 1
256 . . . . . . . . . . . . . . . . -1.8 . . . . . 115 . N . 115 . HN parsed_2kqa 1
257 . . . . . . . . . . . . . . . . 2.5 . . . . . 116 . N . 116 . HN parsed_2kqa 1
258 . . . . . . . . . . . . . . . . 2.1 . . . . . 117 . N . 117 . HN parsed_2kqa 1
259 . . . . . . . . . . . . . . . . 2.4 . . . . . 118 . N . 118 . HN parsed_2kqa 1
260 . . . . . . . . . . . . . . . . 2.0 . . . . . 121 . N . 121 . HN parsed_2kqa 1
261 . . . . . . . . . . . . . . . . 0.0 . . . . . 122 . N . 122 . HN parsed_2kqa 1
262 . . . . . . . . . . . . . . . . 1.8 . . . . . 123 . N . 123 . HN parsed_2kqa 1
263 . . . . . . . . . . . . . . . . 2.3 . . . . . 124 . N . 124 . HN parsed_2kqa 1
264 . . . . . . . . . . . . . . . . 2.4 . . . . . 125 . N . 125 . HN parsed_2kqa 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
;
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 C )
( resid 3 and name HN ) 19.165 1.000
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 C )
( resid 4 and name HN ) 2.047 1.000
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 C )
( resid 5 and name HN ) -1.270 1.000
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 C )
( resid 6 and name HN ) 3.804 1.000
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 C )
( resid 7 and name HN ) 6.610 1.000
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 C )
( resid 8 and name HN ) -1.378 1.000
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 C )
( resid 9 and name HN ) 9.967 1.000
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 C )
( resid 10 and name HN ) xxx 1.000
;
1 1 55 51 parsed_2kqa 1
2
;
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 C )
( resid 23 and name HN ) 2.990 1.000
;
99 1 104 51 parsed_2kqa 1
3
;
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 C )
( resid 27 and name HN ) xxx 1.000
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 C )
( resid 28 and name HN ) xxx 1.000
;
127 1 139 48 parsed_2kqa 1
4
;
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 C )
( resid 31 and name HN ) 15.793 1.000
;
155 1 160 52 parsed_2kqa 1
5
;
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 C )
( resid 33 and name HN ) 14.820 1.000
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 C )
( resid 34 and name HN ) 8.341 1.000
;
169 1 181 51 parsed_2kqa 1
6
;
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 C )
( resid 37 and name HN ) 0.190 1.000
;
197 1 202 51 parsed_2kqa 1
7
;
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 C )
( resid 41 and name HN ) xxx 1.000
;
225 1 230 49 parsed_2kqa 1
8
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 48 and name C )
( resid 49 and name HN ) -8.420 1.000
;
253 1 258 52 parsed_2kqa 1
9
;
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 C )
( resid 59 and name HN ) 3.671 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 59 and name C )
( resid 60 and name HN ) -4.165 1.000
;
281 1 293 51 parsed_2kqa 1
10
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 61 and name C )
( resid 62 and name HN ) -10.862 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 64 and name C )
( resid 65 and name HN ) -7.130 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 65 and name C )
( resid 66 and name HN ) 5.521 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 66 and name C )
( resid 67 and name HN ) xxx 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 67 and name C )
( resid 68 and name HN ) 11.102 1.000
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 C )
( resid 69 and name HN ) 2.102 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 69 and name C )
( resid 70 and name HN ) -1.135 1.000
;
302 1 349 53 parsed_2kqa 1
11
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 73 and name C )
( resid 74 and name HN ) xxx 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 74 and name C )
( resid 75 and name HN ) xxx 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 75 and name C )
( resid 76 and name HN ) -4.510 1.000
;
372 1 391 51 parsed_2kqa 1
12
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 80 and name C )
( resid 81 and name HN ) -9.6 1.000
;
421 1 426 49 parsed_2kqa 1
13
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 83 and name C )
( resid 84 and name HN ) xxx 1.000
;
442 1 447 49 parsed_2kqa 1
14
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 88 and name C )
( resid 89 and name HN ) -10.637 1.000
;
477 1 482 52 parsed_2kqa 1
15
;
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 C )
( resid 92 and name HN ) -2.372 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 92 and name C )
( resid 93 and name HN ) 10.557 1.000
;
498 1 510 51 parsed_2kqa 1
16
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 95 and name C )
( resid 96 and name HN ) xxx 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 96 and name C )
( resid 97 and name HN ) 9.657 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 97 and name C )
( resid 98 and name HN ) -3.768 1.000
;
526 1 545 53 parsed_2kqa 1
17
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 102 and name C )
( resid 103 and name HN ) -11.274 1.000
;
575 1 580 53 parsed_2kqa 1
18
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 104 and name C )
( resid 105 and name HN ) -1.064 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 105 and name C )
( resid 106 and name HN ) -5.281 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 106 and name C )
( resid 107 and name HN ) -4.080 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 107 and name C )
( resid 108 and name HN ) 4.460 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 108 and name C )
( resid 109 and name HN ) -2.805 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 109 and name C )
( resid 110 and name HN ) -9.978 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 110 and name C )
( resid 111 and name HN ) -0.717 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 111 and name C )
( resid 112 and name HN ) xxx 1.000
;
589 1 643 49 parsed_2kqa 1
19
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 114 and name C )
( resid 115 and name HN ) 5.625 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 115 and name C )
( resid 116 and name HN ) -10.422 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 116 and name C )
( resid 117 and name HN ) -5.200 1.000!
;
659 1 678 54 parsed_2kqa 1
20
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 118 and name C )
( resid 119 and name HN ) -12.598 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 119 and name C )
( resid 120 and name HN ) xxx 1.000
;
687 1 699 50 parsed_2kqa 1
21
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 121 and name C )
( resid 122 and name HN ) 5.182 1.000
;
708 1 713 52 parsed_2kqa 1
22
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 123 and name C )
( resid 124 and name HN ) -13.293 1.000
;
722 1 727 53 parsed_2kqa 1
23
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 125 and name C )
( resid 126 and name HN ) xxx 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 126 and name C )
( resid 127 and name HN ) xxx 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 127 and name C )
( resid 128 and name HN ) -3.376 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 128 and name C )
( resid 129 and name HN ) 3.295 1.000
;
736 1 762 52 parsed_2kqa 1
24
;
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 HA )
( resid 16 and name CA ) 11.838 1.000
;
806 1 811 53 parsed_2kqa 1
25
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 24 and name HA )
( resid 24 and name CA ) -12.230 1.000
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 HA1 )
( resid 25 and name CA ) -6.947 1.000
;
863 1 876 2 parsed_2kqa 1
26
;
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 HA )
( resid 28 and name CA ) 6.692 1.000
;
891 1 896 51 parsed_2kqa 1
27
;
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 HA )
( resid 30 and name CA ) 5.7901 1.000
;
905 1 910 52 parsed_2kqa 1
28
;
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 HA )
( resid 34 and name CA ) 20.643 1.000
;
926 1 932 2 parsed_2kqa 1
29
;
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 HA )
( resid 37 and name CA ) -2.8 1.000
;
940 1 945 51 parsed_2kqa 1
30
;
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 HA1 )
( resid 44 and name CA ) -9.034 1.000
;
982 1 988 2 parsed_2kqa 1
31
;
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 HA )
( resid 46 and name CA ) 6.9 1.000
;
996 1 1001 49 parsed_2kqa 1
32
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 48 and name HA1 )
( resid 48 and name CA ) 4.837 1.000
;
1010 1 1016 2 parsed_2kqa 1
33
;
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 HA )
( resid 50 and name CA ) 3.802 1.000
;
1024 1 1029 53 parsed_2kqa 1
34
;
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 HA1 )
( resid 54 and name CA ) 0.469 1.000
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 HA )
( resid 55 and name CA ) 9.7 1.000
;
1038 1 1050 48 parsed_2kqa 1
35
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 59 and name HA )
( resid 59 and name CA ) -4.116 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 60 and name HA1 )
( resid 60 and name CA ) 5.041 1.000
;
1073 1 1086 2 parsed_2kqa 1
36
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 67 and name HA1 )
( resid 67 and name CA ) 2.813 1.000
;
1115 1 1120 53 parsed_2kqa 1
37
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 70 and name HA )
( resid 70 and name CA ) -3.275 1.000
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 HA )
( resid 71 and name CA ) -9.069 1.000
;
1136 1 1148 50 parsed_2kqa 1
38
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 76 and name HA )
( resid 76 and name CA ) -7.212 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 77 and name HA1 )
( resid 77 and name CA ) 4.940 1.000
;
1178 1 1191 2 parsed_2kqa 1
39
;
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 HA )
( resid 82 and name CA ) -4.876 1.000
;
1220 1 1225 50 parsed_2kqa 1
40
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 84 and name HA1 )
( resid 84 and name CA ) -4.083 1.000
;
1234 1 1240 2 parsed_2kqa 1
41
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 87 and name HA )
( resid 87 and name CA ) -0.967 1.000
;
1255 1 1260 51 parsed_2kqa 1
42
;
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 HA1 )
( resid 90 and name CA ) 1.519 1.000
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 HA1 )
( resid 91 and name CA ) -6.327 1.000
;
1269 1 1281 52 parsed_2kqa 1
43
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 104 and name HA1 )
( resid 104 and name CA ) -8.641 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 111 and name HA )
( resid 111 and name CA ) -6.244 1.000
;
1360 1 1374 2 parsed_2kqa 1
44
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 117 and name HA )
( resid 117 and name CA ) 5.407 1.000
;
1410 1 1415 51 parsed_2kqa 1
45
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 122 and name HA )
( resid 122 and name CA ) -6.187 1.000
;
1439 1 1444 52 parsed_2kqa 1
46
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 126 and name HA )
( resid 126 and name CA ) -5.167 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 127 and name HA1 )
( resid 127 and name CA ) 4.622 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 128 and name HA )
( resid 128 and name CA ) 1.081 1.000
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 HA )
( resid 129 and name CA ) 0.367 1.000
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 C )
( resid 3 and name N ) -3.006 1.000
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 C )
( resid 4 and name N ) -0.309 1.000
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 C )
( resid 5 and name N ) -2.420 1.000
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 C )
( resid 6 and name N ) 5.797 1.000
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 C )
( resid 7 and name N ) 3.149 1.000
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 C )
( resid 8 and name N ) -8.114 1.000
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 C )
( resid 9 and name N ) 5.587 1.000
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 C )
( resid 10 and name N ) xx 1.000
;
1467 1 1548 50 parsed_2kqa 1
47
;
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 C )
( resid 23 and name N ) 1.422 1.000
;
1599 1 1604 50 parsed_2kqa 1
48
;
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 C )
( resid 31 and name N ) -6.302 1.000
;
1641 1 1646 52 parsed_2kqa 1
49
;
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 C )
( resid 34 and name N ) -8.060 1.000
;
1662 1 1667 50 parsed_2kqa 1
50
;
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 C )
( resid 36 and name N ) 7.769 1.000
;
1676 1 1681 51 parsed_2kqa 1
51
;
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 C )
( resid 41 and name N ) xxx 1.000
;
1711 1 1716 49 parsed_2kqa 1
52
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 42 and name C )
( resid 43 and name N ) -12.569 1.000
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 C )
( resid 44 and name N ) 14.729 1.000
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 C )
( resid 45 and name N ) xxx 1.000
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 C )
( resid 46 and name N ) xxx 1.000
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 C )
( resid 47 and name N ) xxx 1.000
;
1725 1 1758 48 parsed_2kqa 1
53
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 48 and name C )
( resid 49 and name N ) -14.680 1.000
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 C )
( resid 50 and name N ) xxx 1.000
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 C )
( resid 51 and name N ) xxx 1.000
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 C )
( resid 52 and name N ) xxx 1.000
;
1767 1 1793 50 parsed_2kqa 1
54
;
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 C )
( resid 54 and name N ) xxx 1.000
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 C )
( resid 55 and name N ) xxx 1.000
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 C )
( resid 56 and name N ) xxx 1.000
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 C )
( resid 57 and name N ) -6.5 1.000
;
1802 1 1828 49 parsed_2kqa 1
55
;
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 C )
( resid 59 and name N ) 6.513 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 59 and name C )
( resid 60 and name N ) -16.908 1.000
;
1837 1 1849 53 parsed_2kqa 1
56
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 62 and name C )
( resid 63 and name N ) xxx 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 63 and name C )
( resid 64 and name N ) xxx 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 64 and name C )
( resid 65 and name N ) -13.753 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 65 and name C )
( resid 66 and name N ) 8.753 1.000
;
1865 1 1891 50 parsed_2kqa 1
57
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 67 and name C )
( resid 68 and name N ) -6.678 1.000
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 C )
( resid 69 and name N ) 5.900 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 69 and name C )
( resid 70 and name N ) 7.014 1.000
;
1900 1 1919 52 parsed_2kqa 1
58
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 73 and name C )
( resid 74 and name N ) xxx 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 74 and name C )
( resid 75 and name N ) xxx 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 75 and name C )
( resid 76 and name N ) 10.3 1.000
;
1942 1 1961 50 parsed_2kqa 1
59
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 80 and name C )
( resid 81 and name N ) -35.569 1.000
;
1991 1 1996 54 parsed_2kqa 1
60
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 83 and name C )
( resid 84 and name N ) xxx 1.000
;
2012 1 2017 48 parsed_2kqa 1
61
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 89 and name C )
( resid 90 and name N ) 1.136 1.000
;
2054 1 2059 51 parsed_2kqa 1
62
;
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 C )
( resid 92 and name N ) 5.511 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 92 and name C )
( resid 93 and name N ) -2.071 1.000
;
2068 1 2080 52 parsed_2kqa 1
63
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 95 and name C )
( resid 96 and name N ) xxx 1.000
;
2096 1 2101 49 parsed_2kqa 1
64
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 97 and name C )
( resid 98 and name N ) -12.989 1.000
;
2110 1 2115 53 parsed_2kqa 1
65
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 102 and name C )
( resid 103 and name N ) -11.853 1.000
;
2145 1 2150 54 parsed_2kqa 1
66
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 104 and name C )
( resid 105 and name N ) 25.348 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 105 and name C )
( resid 106 and name N ) -0.380 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 106 and name C )
( resid 107 and name N ) -22.606 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 107 and name C )
( resid 108 and name N ) 6.553 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 108 and name C )
( resid 109 and name N ) -6.893 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 109 and name C )
( resid 110 and name N ) -9.733 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 110 and name C )
( resid 111 and name N ) 5.180 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 111 and name C )
( resid 112 and name N ) xxx 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 112 and name C )
( resid 113 and name N ) -7.081 1.000
;
2159 1 2220 51 parsed_2kqa 1
67
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 114 and name C )
( resid 115 and name N ) 12.095 1.000
;
2229 1 2234 53 parsed_2kqa 1
68
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 118 and name C )
( resid 119 and name N ) -30.720 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 119 and name C )
( resid 120 and name N ) xxx 1.000
;
2257 1 2269 50 parsed_2kqa 1
69
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 123 and name C )
( resid 124 and name N ) 4.826 1.000
;
2292 1 2297 52 parsed_2kqa 1
70
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 125 and name C )
( resid 126 and name N ) xxx 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 126 and name C )
( resid 127 and name N ) 0.059 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 127 and name C )
( resid 128 and name N ) -3.507 1.000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 128 and name C )
( resid 129 and name N ) 1.673 1.000
MONOMER A
;
2306 1 2334 11 parsed_2kqa 1
71
;
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 ) 3.4379 1.0000
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 52 and name HN ) -4.5 1.0000
;
2553 1 2565 55 parsed_2kqa 1
72
;
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 ) 6.4801 1.0000
;
2644 1 2649 60 parsed_2kqa 1
73
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 74 and name N )
( resid 74 and name HN ) 7.3682 1.0000
;
2686 1 2691 58 parsed_2kqa 1
74
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 80 and name N )
( resid 80 and name HN ) 5.1200 1.0000
;
2721 1 2726 58 parsed_2kqa 1
75
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 89 and name N )
( resid 89 and name HN ) -6.1456 1.0000
;
2784 1 2789 59 parsed_2kqa 1
76
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 93 and name N )
( resid 93 and name HN ) -1.5982 1.0000
;
2812 1 2817 58 parsed_2kqa 1
77
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 111 and name N )
( resid 111 and name HN ) -4.7390 1.0000
;
2889 1 2895 2 parsed_2kqa 1
78
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 119 and name N )
( resid 119 and name HN ) 2.1665 1.0000
;
2945 1 2950 53 parsed_2kqa 1
79
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 127 and name N )
( resid 127 and name HN ) 1.5403 1.0000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 128 and name N )
( resid 128 and name HN ) -0.30741 1.0000
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 ) 2.8192 1.0000
;
2987 1 3006 52 parsed_2kqa 1
stop_
save_
Contact the webmaster for help, if required. Saturday, April 27, 2024 3:26:32 PM GMT (wattos1)