NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
646247 |
6uck   |
50007 | cing | 2-parsed | STAR | dipolar coupling | 141 |
data_6uck_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6uck
_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_6uck 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6uck
_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 6uck "Master copy" parsed_6uck
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6uck
_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 6uck.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6uck 1
1 6uck.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 0 parsed_6uck 1
1 6uck.mr . . XPLOR/CNS 3 distance NOE ambi 0 parsed_6uck 1
1 6uck.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 130 parsed_6uck 1
1 6uck.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 141 parsed_6uck 1
1 6uck.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6uck 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_6uck
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 5
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint.ID
_RDC_constraint.Assembly_atom_ID_1
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Seq_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Resonance_ID_1
_RDC_constraint.Assembly_atom_ID_2
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Seq_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.Resonance_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.Source_experiment_ID
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 . . . . . . . . . . . . . . . . 11.25 . . . . . 13 . N . 13 . HN parsed_6uck 1
2 . . . . . . . . . . . . . . . . -0.13 . . . . . 14 . N . 14 . HN parsed_6uck 1
3 . . . . . . . . . . . . . . . . 8.71 . . . . . 15 . N . 15 . HN parsed_6uck 1
4 . . . . . . . . . . . . . . . . 17.95 . . . . . 16 . N . 16 . HN parsed_6uck 1
5 . . . . . . . . . . . . . . . . 8.93 . . . . . 17 . N . 17 . HN parsed_6uck 1
6 . . . . . . . . . . . . . . . . 11.93 . . . . . 20 . N . 20 . HN parsed_6uck 1
7 . . . . . . . . . . . . . . . . 7.71 . . . . . 21 . N . 21 . HN parsed_6uck 1
8 . . . . . . . . . . . . . . . . 18.15 . . . . . 23 . N . 23 . HN parsed_6uck 1
9 . . . . . . . . . . . . . . . . 11.43 . . . . . 24 . N . 24 . HN parsed_6uck 1
10 . . . . . . . . . . . . . . . . 5.11 . . . . . 25 . N . 25 . HN parsed_6uck 1
11 . . . . . . . . . . . . . . . . 4.74 . . . . . 28 . N . 28 . HN parsed_6uck 1
12 . . . . . . . . . . . . . . . . 8.57 . . . . . 29 . N . 29 . HN parsed_6uck 1
13 . . . . . . . . . . . . . . . . 12.8 . . . . . 30 . N . 30 . HN parsed_6uck 1
14 . . . . . . . . . . . . . . . . -4.81 . . . . . 32 . N . 32 . HN parsed_6uck 1
15 . . . . . . . . . . . . . . . . 4.12 . . . . . 33 . N . 33 . HN parsed_6uck 1
16 . . . . . . . . . . . . . . . . -2.03 . . . . . 34 . N . 34 . HN parsed_6uck 1
17 . . . . . . . . . . . . . . . . -10.16 . . . . . 35 . N . 35 . HN parsed_6uck 1
18 . . . . . . . . . . . . . . . . -7.34 . . . . . 36 . N . 36 . HN parsed_6uck 1
19 . . . . . . . . . . . . . . . . -7.68 . . . . . 38 . N . 38 . HN parsed_6uck 1
20 . . . . . . . . . . . . . . . . -7.38 . . . . . 39 . N . 39 . HN parsed_6uck 1
21 . . . . . . . . . . . . . . . . -2.67 . . . . . 52 . N . 52 . HN parsed_6uck 1
22 . . . . . . . . . . . . . . . . 1.83 . . . . . 53 . N . 53 . HN parsed_6uck 1
23 . . . . . . . . . . . . . . . . 4.65 . . . . . 54 . N . 54 . HN parsed_6uck 1
24 . . . . . . . . . . . . . . . . 5.06 . . . . . 55 . N . 55 . HN parsed_6uck 1
25 . . . . . . . . . . . . . . . . 1.33 . . . . . 56 . N . 56 . HN parsed_6uck 1
26 . . . . . . . . . . . . . . . . 2.91 . . . . . 57 . N . 57 . HN parsed_6uck 1
27 . . . . . . . . . . . . . . . . 6.96 . . . . . 58 . N . 58 . HN parsed_6uck 1
28 . . . . . . . . . . . . . . . . -0.24 . . . . . 62 . N . 62 . HN parsed_6uck 1
29 . . . . . . . . . . . . . . . . 1.25 . . . . . 63 . N . 63 . HN parsed_6uck 1
30 . . . . . . . . . . . . . . . . -2.75 . . . . . 65 . N . 65 . HN parsed_6uck 1
31 . . . . . . . . . . . . . . . . -20.84 . . . . . 13 . CA . 13 . HA parsed_6uck 1
32 . . . . . . . . . . . . . . . . -7.64 . . . . . 14 . CA . 14 . HA parsed_6uck 1
33 . . . . . . . . . . . . . . . . -4.36 . . . . . 16 . CA . 16 . HA parsed_6uck 1
34 . . . . . . . . . . . . . . . . 9.65 . . . . . 19 . CA . 19 . HA parsed_6uck 1
35 . . . . . . . . . . . . . . . . 27.49 . . . . . 20 . CA . 20 . HA parsed_6uck 1
36 . . . . . . . . . . . . . . . . 8.04 . . . . . 22 . CA . 22 . HA parsed_6uck 1
37 . . . . . . . . . . . . . . . . -25.77 . . . . . 25 . CA . 25 . HA parsed_6uck 1
38 . . . . . . . . . . . . . . . . 19.11 . . . . . 26 . CA . 26 . HA parsed_6uck 1
39 . . . . . . . . . . . . . . . . -6.23 . . . . . 27 . CA . 27 . HA parsed_6uck 1
40 . . . . . . . . . . . . . . . . 30.51 . . . . . 28 . CA . 28 . HA parsed_6uck 1
41 . . . . . . . . . . . . . . . . -24.75 . . . . . 29 . CA . 29 . HA parsed_6uck 1
42 . . . . . . . . . . . . . . . . -1.81 . . . . . 30 . CA . 30 . HA parsed_6uck 1
43 . . . . . . . . . . . . . . . . 16.31 . . . . . 31 . CA . 31 . HA parsed_6uck 1
44 . . . . . . . . . . . . . . . . 5.86 . . . . . 32 . CA . 32 . HA parsed_6uck 1
45 . . . . . . . . . . . . . . . . -12.96 . . . . . 33 . CA . 33 . HA parsed_6uck 1
46 . . . . . . . . . . . . . . . . 3.66 . . . . . 34 . CA . 34 . HA parsed_6uck 1
47 . . . . . . . . . . . . . . . . -0.07 . . . . . 35 . CA . 35 . HA# parsed_6uck 1
48 . . . . . . . . . . . . . . . . -6.55 . . . . . 36 . CA . 36 . HA parsed_6uck 1
49 . . . . . . . . . . . . . . . . 1.68 . . . . . 37 . CA . 37 . HA parsed_6uck 1
50 . . . . . . . . . . . . . . . . -5.63 . . . . . 38 . CA . 38 . HA parsed_6uck 1
51 . . . . . . . . . . . . . . . . 10.35 . . . . . 39 . CA . 39 . HA parsed_6uck 1
52 . . . . . . . . . . . . . . . . -9.09 . . . . . 51 . CA . 51 . HA parsed_6uck 1
53 . . . . . . . . . . . . . . . . -4.06 . . . . . 52 . CA . 52 . HA parsed_6uck 1
54 . . . . . . . . . . . . . . . . 6.12 . . . . . 53 . CA . 53 . HA parsed_6uck 1
55 . . . . . . . . . . . . . . . . 13.93 . . . . . 54 . CA . 54 . HA parsed_6uck 1
56 . . . . . . . . . . . . . . . . -11.92 . . . . . 55 . CA . 55 . HA parsed_6uck 1
57 . . . . . . . . . . . . . . . . -3.34 . . . . . 56 . CA . 56 . HA parsed_6uck 1
58 . . . . . . . . . . . . . . . . 21.45 . . . . . 57 . CA . 57 . HA parsed_6uck 1
59 . . . . . . . . . . . . . . . . -7.62 . . . . . 58 . CA . 58 . HA parsed_6uck 1
60 . . . . . . . . . . . . . . . . -3.54 . . . . . 59 . CA . 59 . HA parsed_6uck 1
61 . . . . . . . . . . . . . . . . -15.16 . . . . . 61 . CA . 61 . HA parsed_6uck 1
62 . . . . . . . . . . . . . . . . -6.3 . . . . . 62 . CA . 62 . HA parsed_6uck 1
63 . . . . . . . . . . . . . . . . 7.17 . . . . . 63 . CA . 63 . HA parsed_6uck 1
64 . . . . . . . . . . . . . . . . -3.57 . . . . . 64 . CA . 64 . HA parsed_6uck 1
65 . . . . . . . . . . . . . . . . -9.78 . . . . . 13 . N . 13 . HN parsed_6uck 1
66 . . . . . . . . . . . . . . . . 1.05 . . . . . 14 . N . 14 . HN parsed_6uck 1
67 . . . . . . . . . . . . . . . . 1.23 . . . . . 15 . N . 15 . HN parsed_6uck 1
68 . . . . . . . . . . . . . . . . -6.85 . . . . . 16 . N . 16 . HN parsed_6uck 1
69 . . . . . . . . . . . . . . . . 0.31 . . . . . 17 . N . 17 . HN parsed_6uck 1
70 . . . . . . . . . . . . . . . . -4.64 . . . . . 20 . N . 20 . HN parsed_6uck 1
71 . . . . . . . . . . . . . . . . 1.73 . . . . . 21 . N . 21 . HN parsed_6uck 1
72 . . . . . . . . . . . . . . . . -2.90 . . . . . 23 . N . 23 . HN parsed_6uck 1
73 . . . . . . . . . . . . . . . . -0.44 . . . . . 24 . N . 24 . HN parsed_6uck 1
74 . . . . . . . . . . . . . . . . 3.50 . . . . . 25 . N . 25 . HN parsed_6uck 1
75 . . . . . . . . . . . . . . . . 1.78 . . . . . 28 . N . 28 . HN parsed_6uck 1
76 . . . . . . . . . . . . . . . . -4.35 . . . . . 29 . N . 29 . HN parsed_6uck 1
77 . . . . . . . . . . . . . . . . -3.15 . . . . . 30 . N . 30 . HN parsed_6uck 1
78 . . . . . . . . . . . . . . . . 5.25 . . . . . 32 . N . 32 . HN parsed_6uck 1
79 . . . . . . . . . . . . . . . . 0.70 . . . . . 33 . N . 33 . HN parsed_6uck 1
80 . . . . . . . . . . . . . . . . 3.17 . . . . . 34 . N . 34 . HN parsed_6uck 1
81 . . . . . . . . . . . . . . . . 2.06 . . . . . 35 . N . 35 . HN parsed_6uck 1
82 . . . . . . . . . . . . . . . . 3.78 . . . . . 36 . N . 36 . HN parsed_6uck 1
83 . . . . . . . . . . . . . . . . 0.83 . . . . . 38 . N . 38 . HN parsed_6uck 1
84 . . . . . . . . . . . . . . . . 3.70 . . . . . 39 . N . 39 . HN parsed_6uck 1
85 . . . . . . . . . . . . . . . . 0.36 . . . . . 52 . N . 52 . HN parsed_6uck 1
86 . . . . . . . . . . . . . . . . -4.88 . . . . . 53 . N . 53 . HN parsed_6uck 1
87 . . . . . . . . . . . . . . . . -6.08 . . . . . 54 . N . 54 . HN parsed_6uck 1
88 . . . . . . . . . . . . . . . . 0.77 . . . . . 55 . N . 55 . HN parsed_6uck 1
89 . . . . . . . . . . . . . . . . -0.23 . . . . . 56 . N . 56 . HN parsed_6uck 1
90 . . . . . . . . . . . . . . . . -4.41 . . . . . 57 . N . 57 . HN parsed_6uck 1
91 . . . . . . . . . . . . . . . . -3.68 . . . . . 58 . N . 58 . HN parsed_6uck 1
92 . . . . . . . . . . . . . . . . -0.71 . . . . . 62 . N . 62 . HN parsed_6uck 1
93 . . . . . . . . . . . . . . . . -1.37 . . . . . 63 . N . 63 . HN parsed_6uck 1
94 . . . . . . . . . . . . . . . . 0.02 . . . . . 65 . N . 65 . HN parsed_6uck 1
95 . . . . . . . . . . . . . . . . 3.89 . . . . . 14 . N . 14 . HN parsed_6uck 1
96 . . . . . . . . . . . . . . . . -15.33 . . . . . 15 . N . 15 . HN parsed_6uck 1
97 . . . . . . . . . . . . . . . . -18.68 . . . . . 16 . N . 16 . HN parsed_6uck 1
98 . . . . . . . . . . . . . . . . -3.36 . . . . . 17 . N . 17 . HN parsed_6uck 1
99 . . . . . . . . . . . . . . . . -12.31 . . . . . 20 . N . 20 . HN parsed_6uck 1
100 . . . . . . . . . . . . . . . . -1.88 . . . . . 24 . N . 24 . HN parsed_6uck 1
101 . . . . . . . . . . . . . . . . 2.24 . . . . . 25 . N . 25 . HN parsed_6uck 1
102 . . . . . . . . . . . . . . . . 10.98 . . . . . 28 . N . 28 . HN parsed_6uck 1
103 . . . . . . . . . . . . . . . . -15.01 . . . . . 30 . N . 30 . HN parsed_6uck 1
104 . . . . . . . . . . . . . . . . 14.6 . . . . . 32 . N . 32 . HN parsed_6uck 1
105 . . . . . . . . . . . . . . . . -5.99 . . . . . 33 . N . 33 . HN parsed_6uck 1
106 . . . . . . . . . . . . . . . . 8.34 . . . . . 34 . N . 34 . HN parsed_6uck 1
107 . . . . . . . . . . . . . . . . 14.45 . . . . . 35 . N . 35 . HN parsed_6uck 1
108 . . . . . . . . . . . . . . . . 15.02 . . . . . 36 . N . 36 . HN parsed_6uck 1
109 . . . . . . . . . . . . . . . . 9.28 . . . . . 38 . N . 38 . HN parsed_6uck 1
110 . . . . . . . . . . . . . . . . 12.35 . . . . . 39 . N . 39 . HN parsed_6uck 1
111 . . . . . . . . . . . . . . . . -5 . . . . . 51 . N . 51 . HN parsed_6uck 1
112 . . . . . . . . . . . . . . . . -11.95 . . . . . 52 . N . 52 . HN parsed_6uck 1
113 . . . . . . . . . . . . . . . . -9 . . . . . 53 . N . 53 . HN parsed_6uck 1
114 . . . . . . . . . . . . . . . . -8.61 . . . . . 54 . N . 54 . HN parsed_6uck 1
115 . . . . . . . . . . . . . . . . -10.17 . . . . . 55 . N . 55 . HN parsed_6uck 1
116 . . . . . . . . . . . . . . . . -13.75 . . . . . 56 . N . 56 . HN parsed_6uck 1
117 . . . . . . . . . . . . . . . . -9.89 . . . . . 57 . N . 57 . HN parsed_6uck 1
118 . . . . . . . . . . . . . . . . -7.68 . . . . . 58 . N . 58 . HN parsed_6uck 1
119 . . . . . . . . . . . . . . . . -9.39 . . . . . 59 . N . 59 . HN parsed_6uck 1
120 . . . . . . . . . . . . . . . . -1.95 . . . . . 62 . N . 62 . HN parsed_6uck 1
121 . . . . . . . . . . . . . . . . -3.42 . . . . . 63 . N . 63 . HN parsed_6uck 1
122 . . . . . . . . . . . . . . . . -0.41 . . . . . 65 . N . 65 . HN parsed_6uck 1
123 . . . . . . . . . . . . . . . . 40.35 . . . . . 29 . CA . 29 . HA parsed_6uck 1
124 . . . . . . . . . . . . . . . . 5.89 . . . . . 31 . CA . 31 . HA parsed_6uck 1
125 . . . . . . . . . . . . . . . . 17.56 . . . . . 33 . CA . 33 . HA parsed_6uck 1
126 . . . . . . . . . . . . . . . . 21 . . . . . 34 . CA . 34 . HA parsed_6uck 1
127 . . . . . . . . . . . . . . . . 15.82 . . . . . 35 . CA . 35 . HA# parsed_6uck 1
128 . . . . . . . . . . . . . . . . 12.8 . . . . . 36 . CA . 36 . HA parsed_6uck 1
129 . . . . . . . . . . . . . . . . 6.92 . . . . . 37 . CA . 37 . HA parsed_6uck 1
130 . . . . . . . . . . . . . . . . 26.17 . . . . . 38 . CA . 38 . HA parsed_6uck 1
131 . . . . . . . . . . . . . . . . -2.89 . . . . . 39 . CA . 39 . HA parsed_6uck 1
132 . . . . . . . . . . . . . . . . -3.14 . . . . . 51 . CA . 51 . HA parsed_6uck 1
133 . . . . . . . . . . . . . . . . 16.25 . . . . . 53 . CA . 53 . HA parsed_6uck 1
134 . . . . . . . . . . . . . . . . -16.4 . . . . . 54 . CA . 54 . HA parsed_6uck 1
135 . . . . . . . . . . . . . . . . 3.87 . . . . . 55 . CA . 55 . HA parsed_6uck 1
136 . . . . . . . . . . . . . . . . 21.2 . . . . . 57 . CA . 57 . HA parsed_6uck 1
137 . . . . . . . . . . . . . . . . 3.26 . . . . . 58 . CA . 58 . HA parsed_6uck 1
138 . . . . . . . . . . . . . . . . 10.55 . . . . . 61 . CA . 61 . HA parsed_6uck 1
139 . . . . . . . . . . . . . . . . -6.3 . . . . . 62 . CA . 62 . HA parsed_6uck 1
140 . . . . . . . . . . . . . . . . -0.81 . . . . . 63 . CA . 63 . HA parsed_6uck 1
141 . . . . . . . . . . . . . . . . 18.71 . . . . . 64 . CA . 64 . HA parsed_6uck 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
;
# Restraints file 4: dc_negSAG_NH.tbl
# assign ( resid 500 and name OO)
;
1 1 2 1 parsed_6uck 1
2
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 3 and name N)
# ( resid 3 and name HN) 0.05 0.04
;
2 9 8 11 parsed_6uck 1
3
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 4 and name N)
# ( resid 4 and name HN) 0.07 0.06
;
9 9 15 11 parsed_6uck 1
4
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 5 and name N)
# ( resid 5 and name HN) -0.24 0.07
;
16 9 22 11 parsed_6uck 1
5
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 6 and name N)
# ( resid 6 and name HN) -0.01 0.4
;
23 9 29 11 parsed_6uck 1
6
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 7 and name N)
# ( resid 7 and name HN) 3.49 0.11
;
30 9 36 11 parsed_6uck 1
7
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 8 and name N)
# ( resid 8 and name HN) 0.57 0.28
;
37 9 43 11 parsed_6uck 1
8
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 9 and name N)
# ( resid 9 and name HN) 0.7 0.37
;
44 9 50 11 parsed_6uck 1
9
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 10 and name N)
# ( resid 10 and name HN) -1.3 0.15
;
51 9 57 11 parsed_6uck 1
10
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 11 and name N)
# ( resid 11 and name HN) -0.28 0.32
;
58 9 64 11 parsed_6uck 1
11
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 12 and name N)
# ( resid 12 and name HN) 3.91 0.2
;
65 9 70 67 parsed_6uck 1
12 "#" 107 1 107 1 parsed_6uck 1
13
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 18 and name N)
# ( resid 18 and name HN) -1.24 0.47 #overlap w F26
#assign ( resid 500 and name OO)
# ( resid 500 and name
# ( resid 500 and name
# ( resid 500 and name
# ( resid 19 and name
# ( resid 19 and name 0.85 6.04 #overlap w K69
;
107 9 119 86 parsed_6uck 1
14 "#" 135 1 135 1 parsed_6uck 1
15
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 22 and name N)
# ( resid 22 and name HN) -4.37 0.46 #overlap w V43
;
135 9 140 86 parsed_6uck 1
16 "#" 163 1 163 1 parsed_6uck 1
17
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 26 and name N)
# ( resid 26 and name HN) 14.97 0.52 #overlap w C18
;
163 9 169 11 parsed_6uck 1
18
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 27 and name N)
# ( resid 27 and name HN) -2.02 0.28 #overlap w R51
;
170 9 175 86 parsed_6uck 1
19 "#" 198 1 198 1 parsed_6uck 1
20
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 31 and name N)
# ( resid 31 and name HN) -1.42 0.23 #overlap w S40
;
198 9 203 86 parsed_6uck 1
21 "#" 240 1 240 1 parsed_6uck 1
22
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 37 and name N)
# ( resid 37 and name HN) 3.35 0.17 #overlap w Y64
;
240 9 245 86 parsed_6uck 1
23 "#" 261 1 261 1 parsed_6uck 1
24
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 40 and name N)
# ( resid 40 and name HN) -0.53 0.14
;
261 9 267 11 parsed_6uck 1
25
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 41 and name N)
# ( resid 41 and name HN) -1.9 0.15
;
268 9 274 11 parsed_6uck 1
26
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 42 and name N)
# ( resid 42 and name HN) -0.58 0.14
;
275 9 281 11 parsed_6uck 1
27
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 43 and name N)
# ( resid 43 and name HN) 0.14 0.13
;
282 9 288 11 parsed_6uck 1
28
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 44 and name N)
# ( resid 44 and name HN) -2.06 0.31
;
289 9 295 11 parsed_6uck 1
29
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 45 and name N)
# ( resid 45 and name HN) 0.08 0.09
;
296 9 302 11 parsed_6uck 1
30
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 46 and name N)
# ( resid 46 and name HN) 2.74 0.24
;
303 9 309 11 parsed_6uck 1
31
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 47 and name N)
# ( resid 47 and name HN) -1.23 0.11
;
310 9 316 11 parsed_6uck 1
32
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 48 and name N)
# ( resid 48 and name HN) -0.59 0.15
;
317 9 323 11 parsed_6uck 1
33
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 49 and name N)
# ( resid 49 and name HN) 0.88 0.23
;
324 9 330 11 parsed_6uck 1
34
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 50 and name N)
# ( resid 50 and name HN) 1.98 0.37
;
331 9 337 11 parsed_6uck 1
35
;
assign ( resid 500
# ( 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) 5.13 0.34 #overlap w L27
;
338 9 343 99 parsed_6uck 1
36 "#" 394 1 394 1 parsed_6uck 1
37
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 60 and name N)
# ( resid 60 and name HN) -2.2 0.93 #overlap w V43
;
394 9 399 86 parsed_6uck 1
38 "#" 415 1 415 1 parsed_6uck 1
39
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 64 and name N)
# ( resid 64 and name HN) -1.72 0.18 #overlap w I37
;
415 9 420 86 parsed_6uck 1
40 "#" 429 1 429 1 parsed_6uck 1
41
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 67 and name N)
# ( resid 67 and name HN) 1.24 0.18
;
429 9 435 11 parsed_6uck 1
42
;
assign ( resid 500
# ( 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) 0.05 0.16
;
436 9 442 11 parsed_6uck 1
43
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 69 and name N)
# ( resid 69 and name HN) 0.3 0.16
;
443 9 449 11 parsed_6uck 1
44
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 70 and name N)
# ( resid 70 and name HN) 0.3 0.08
;
450 9 456 11 parsed_6uck 1
45
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 71 and name N)
# ( resid 71 and name HN) 0.19 0.13
;
457 9 463 11 parsed_6uck 1
46
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 72 and name N)
# ( resid 72 and name HN) -0.24 0.17
# Restraints file 5: dc_negSAG_CH.tbl
;
464 9 470 37 parsed_6uck 1
47
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 2 and name CA)
# ( resid 2 and name HA) 1.37 1.62
;
471 9 477 10 parsed_6uck 1
48
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 3 and name CA)
# ( resid 3 and name HA) 2.49 0.84
;
478 9 484 10 parsed_6uck 1
49
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 4 and name CA)
# ( resid 4 and name HA) 1.77 0.61
;
485 9 491 10 parsed_6uck 1
50
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 5 and name CA)
# ( resid 5 and name HA) 0.6 2.07
;
492 9 498 10 parsed_6uck 1
51
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 6 and name CA)
# ( resid 6 and name HA) -1.93 1.59
;
499 9 505 10 parsed_6uck 1
52
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 7 and name CA)
# ( resid 7 and name HA) 2.18 4.02
;
506 9 512 10 parsed_6uck 1
53
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 8 and name CA)
# ( resid 8 and name HA) -3.15 5.36
;
513 9 519 10 parsed_6uck 1
54
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 9 and name CA)
# ( resid 9 and name HA) 0.07 1.48
;
520 9 526 10 parsed_6uck 1
55
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 10 and name CA)
# ( resid 10 and name HA) 1.75 5.21
;
527 9 533 10 parsed_6uck 1
56
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 11 and name CA)
# ( resid 11 and name HA) -10.69 3.63
;
534 9 540 10 parsed_6uck 1
57
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 12 and name CA)
# ( resid 12 and name HA) -13 10.96
;
541 9 546 77 parsed_6uck 1
58
;
#assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 18 and name CA)
# ( resid 18 and name HA) -26.82 9.71
;
569 9 574 76 parsed_6uck 1
59 "#" 702 1 702 1 parsed_6uck 1
60
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 40 and name CA)
# ( resid 40 and name HA) -11.5 3.13
;
702 9 708 10 parsed_6uck 1
61
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 41 and name CA)
# ( resid 41 and name HA) 2.23 1.59
;
709 9 715 10 parsed_6uck 1
62
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 42 and name CA)
# ( resid 42 and name HA) -6.23 1.79
;
716 9 722 10 parsed_6uck 1
63
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 43 and name CA)
# ( resid 43 and name HA) 1.51 3.09
;
723 9 729 10 parsed_6uck 1
64
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 44 and name CA)
# ( resid 44 and name HA#) -2.51 1.65
;
730 9 736 10 parsed_6uck 1
65
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 45 and name CA)
# ( resid 45 and name HA) -0.15 1.82
;
737 9 743 10 parsed_6uck 1
66
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 46 and name CA)
# ( resid 46 and name HA) -0.25 1.26
;
744 9 750 10 parsed_6uck 1
67
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 47 and name CA)
# ( resid 47 and name HA) 5.67 3.04
;
751 9 757 10 parsed_6uck 1
68
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 48 and name CA)
# ( resid 48 and name HA) 1.63 5.01
;
758 9 764 10 parsed_6uck 1
69
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 49 and name CA)
# ( resid 49 and name HA#) -9.69 10.24
;
765 9 771 10 parsed_6uck 1
70
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 50 and name CA)
# ( resid 50 and name HA) 0.39 3.28
;
772 9 777 76 parsed_6uck 1
71 "#s/n <15" 819 81 819 88 parsed_6uck 1
72 "#s/n <15" 826 81 826 88 parsed_6uck 1
73 "#overlap w/ acrylamide" 833 81 833 102 parsed_6uck 1
74 "#" 870 1 870 1 parsed_6uck 1
75
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 66 and name CA)
# ( resid 66 and name HA) -10.61 4.32
;
870 9 876 10 parsed_6uck 1
76
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 67 and name CA)
# ( resid 67 and name HA) -6.95 4.53
;
877 9 883 10 parsed_6uck 1
77
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 68 and name CA)
# ( resid 68 and name HA) -2.02 9.61
;
884 9 890 10 parsed_6uck 1
78
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 69 and name CA)
# ( resid 69 and name HA) 2.43 1.43
;
891 9 897 10 parsed_6uck 1
79
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 70 and name CA)
# ( resid 70 and name HA) -1.52 1.24
;
898 9 904 10 parsed_6uck 1
80
;
assign ( resid 500
# ( resid 500 and name Z)
# ( resid 500 and name X)
# ( resid 500 and name Y)
# ( resid 71 and name CA)
# ( resid 71 and name HA) -0.81 0.67
# Restraints file 6: dc_neuSAG_NH.tbl
;
905 9 911 37 parsed_6uck 1
81
;
assign ( resid 501
# ( resid 501 and name Z)
# ( resid 501 and name X)
# ( resid 501 and name Y)
# ( resid 3 and name N)
# ( resid 3 and name HN) 0.52 0.41
;
912 9 918 12 parsed_6uck 1
82
;
assign ( resid 501
# ( resid 501 and name Z)
# ( resid 501 and name X)
# ( resid 501 and name Y)
# ( resid 4 and name N)
# ( resid 4 and name HN) -0.08 0.41
;
919 9 925 12 parsed_6uck 1
83
;
assign ( resid 501
# ( resid 501 and name Z)
# ( resid 501 and name X)
# ( resid 501 and name Y)
# ( resid 5 and name N)
# ( resid 5 and name HN) -0.26 0.4
;
926 9 932 12 parsed_6uck 1
84
;
assign ( resid 501
# ( resid 501 and name Z)
# ( resid 501 and name X)
# ( resid 501 and name Y)
# ( resid 6 and name N)
# ( resid 6 and name HN) -0.32 0.48
;
933 9 939 12 parsed_6uck 1
85
;
assign ( resid 501
# ( resid 501 and name Z)
# ( resid 501 and name X)
# ( resid 501 and name Y)
# ( resid 7 and name N)
# ( resid 7 and name HN) -1.45 0.41
;
940 9 946 12 parsed_6uck 1
86
;
assign ( resid 501
# ( resid 501 and name Z)
# ( resid 501 and name X)
# ( resid 501 and name Y)
# ( resid 8 and name N)
# ( resid 8 and name HN) -1.19 0.39
;
947 9 953 12 parsed_6uck 1
87
;
assign ( resid 501
# ( resid 501 and name Z)
# ( resid 501 and name X)
# ( resid 501 and name Y)
# ( resid 9 and name N)
# ( resid 9 and name HN) -1.55 0.42
;
954 9 960 12 parsed_6uck 1
88
;
assign ( resid 501
# ( resid 501 and name Z)
# ( resid 501 and name X)
# ( resid 501 and name Y)
# ( resid 10 and name N)
# ( resid 10 and name HN) -1.93 0.41
;
961 9 967 12 parsed_6uck 1
89
;
assign ( resid 501
# ( resid 501 and name Z)
# ( resid 501 and name X)
# ( resid 501 and name Y)
# ( resid 11 and name N)
# ( resid 11 and name HN) -1.54 0.51
;
968 9 974 12 parsed_6uck 1
90
;
assign ( resid 501
# ( resid 501 and name Z)
# ( resid 501 and name X)
# ( resid 501 and name Y)
# ( resid 12 and name N)
# ( resid 12 and name HN) -2 0.67
;
975 9 980 68 parsed_6uck 1
91
;
#assign ( resid 501
# ( resid 501 and name
# ( resid 501 and name
# ( resid 501 and name
# ( resid 19 and name
# ( resid 19 and name -5.99 1.11 #overlap with K69
;
1017 9 1022 89 parsed_6uck 1
92 "#" 1038 1 1038 1 parsed_6uck 1
93
;
assign ( resid 501
# ( resid 501 and name Z)
# ( resid 501 and name X)
# ( resid 501 and name Y)
# ( resid 22 and name N)
# ( resid 22 and name HN) -7.21 0.94 #overlap w V43
;
1038 9 1043 86 parsed_6uck 1
94 "#" 1066 1 1066 1 parsed_6uck 1
95
;
assign ( resid 501
# ( resid 501 and name Z)
# ( resid 501 and name X)
# ( resid 501 and name Y)
# ( resid 26 and name N)
# ( resid 26 and name HN) -3.21 0.99
;
1066 9 1071 68 parsed_6uck 1
96 "#" 1094 1 1094 1 parsed_6uck 1
97
;
assign ( resid 501
# ( resid 501 and name Z)
# ( resid 501 and name X)
# ( resid 501 and name Y)
# ( resid 31 and name N)
# ( resid 31 and name HN) 0.44 0.52 #overlap w S40
;
1094 9 1099 86 parsed_6uck 1
98 "#" 1136 1 1136 1 parsed_6uck 1
99
;
assign ( resid 501
# ( resid 501 and name Z)
# ( resid 501 and name X)
# ( resid 501 and name Y)
# ( resid 37 and name N)
# ( resid 37 and name HN) 4.53 0.5 #overlap w Y64
;
1136 9 1141 86 parsed_6uck 1
100 "#" 1157 1 1157 1 parsed_6uck 1
101
;
assign ( resid 501
# ( resid 501 and name Z)
# ( resid 501 and name X)
# ( resid 501 and name Y)
# ( resid 40 and name N)
# ( resid 40 and name HN) 0.41 0.48
;
1157 9 1163 12 parsed_6uck 1
102
;
assign ( resid 501
# ( resid 501 and name Z)
# ( resid 501 and name X)
# ( resid 501 and name Y)
# ( resid 41 and name N)
# ( resid 41 and name HN) 0.31 0.51
;
1164 9 1170 12 parsed_6uck 1
103
;
assign ( resid 501
# ( resid 501 and name Z)
# ( resid 501 and name X)
# ( resid 501 and name Y)
# ( resid 42 and name N)
# ( resid 42 and name HN) -0.43 0.48
;
1171 9 1177 12 parsed_6uck 1
104
;
assign ( resid 501
# ( resid 501 and name Z)
# ( resid 501 and name X)
# ( resid 501 and name Y)
# ( resid 43 and name N)
# ( resid 43 and name HN) 0.3 0.43
;
1178 9 1184 12 parsed_6uck 1
105
;
assign ( resid 501
# ( resid 501 and name Z)
# ( resid 501 and name X)
# ( resid 501 and name Y)
# ( resid 44 and name N)
# ( resid 44 and name HN) -0.42 0.44
;
1185 9 1191 12 parsed_6uck 1
106
;
assign ( resid 501
# ( resid 501 and name Z)
# ( resid 501 and name X)
# ( resid 501 and name Y)
# ( resid 45 and name N)
# ( resid 45 and name HN) -0.57 0.37
;
1192 9 1198 12 parsed_6uck 1
107
;
assign ( resid 501
# ( resid 501 and name Z)
# ( resid 501 and name X)
# ( resid 501 and name Y)
# ( resid 46 and name N)
# ( resid 46 and name HN) -0.49 0.45
;
1199 9 1205 12 parsed_6uck 1
108
;
assign ( resid 501
# ( resid 501 and name Z)
# ( resid 501 and name X)
# ( resid 501 and name Y)
# ( resid 47 and name N)
# ( resid 47 and name HN) -0.49 0.47
;
1206 9 1212 12 parsed_6uck 1
109
;
assign ( resid 501
# ( resid 501 and name Z)
# ( resid 501 and name X)
# ( resid 501 and name Y)
# ( resid 48 and name N)
# ( resid 48 and name HN) -1.16 0.92
;
1213 9 1219 12 parsed_6uck 1
110
;
assign ( resid 501
# ( resid 501 and name Z)
# ( resid 501 and name X)
# ( resid 501 and name Y)
# ( resid 49 and name N)
# ( resid 49 and name HN) -0.7 0.53
;
1220 9 1226 12 parsed_6uck 1
111
;
assign ( resid 501
# ( resid 501 and name Z)
# ( resid 501 and name X)
# ( resid 501 and name Y)
# ( resid 50 and name N)
# ( resid 50 and name HN) -1.52 0.64
;
1227 9 1233 12 parsed_6uck 1
112
;
assign ( resid 501
# ( resid 501 and name Z)
# ( resid 501 and name X)
# ( resid 501 and name Y)
# ( resid 51 and name N)
# ( resid 51 and name HN) -3.14 0.58 #overlap w L27
;
1234 9 1239 99 parsed_6uck 1
113 "#" 1290 1 1290 1 parsed_6uck 1
114
;
assign ( resid 501
# ( resid 501 and name Z)
# ( resid 501 and name X)
# ( resid 501 and name Y)
# ( resid 60 and name N)
# ( resid 60 and name HN) -7.86 0.88 #could not resolve peak
;
1290 9 1295 100 parsed_6uck 1
115 "#" 1311 1 1311 1 parsed_6uck 1
116
;
assign ( resid 501
# ( resid 501 and name Z)
# ( resid 501 and name X)
# ( resid 501 and name Y)
# ( resid 64 and name N)
# ( resid 64 and name HN) -5.25 0.0.53 #overlap w I37
;
1311 9 1316 86 parsed_6uck 1
117 "#" 1325 1 1325 1 parsed_6uck 1
118
;
assign ( resid 501
# ( resid 501 and name Z)
# ( resid 501 and name X)
# ( resid 501 and name Y)
# ( resid 67 and name N)
# ( resid 67 and name HN) -0.27 0.48
;
1325 9 1331 12 parsed_6uck 1
119
;
assign ( resid 501
# ( resid 501 and name Z)
# ( resid 501 and name X)
# ( resid 501 and name Y)
# ( resid 69 and name N)
# ( resid 69 and name HN) -0.75 0.28
;
1332 9 1338 12 parsed_6uck 1
120
;
assign ( resid 501
# ( resid 501 and name Z)
# ( resid 501 and name X)
# ( resid 501 and name Y)
# ( resid 70 and name N)
# ( resid 70 and name HN) -0.5 0.26
;
1339 9 1345 12 parsed_6uck 1
121
;
assign ( resid 501
# ( resid 501 and name Z)
# ( resid 501 and name X)
# ( resid 501 and name Y)
# ( resid 71 and name N)
# ( resid 71 and name HN) -0.64 0.23
;
1346 9 1352 12 parsed_6uck 1
122
;
assign ( resid 501
# ( resid 501 and name Z)
# ( resid 501 and name X)
# ( resid 501 and name Y)
# ( resid 72 and name N)
# ( resid 72 and name HN) -0.25 0.19
# Restraints file 7: dc_posSAG_NH.tbl
;
1353 9 1359 37 parsed_6uck 1
123
;
assign ( resid 50
# ( resid 502 and name Z)
# ( resid 502 and name X)
# ( resid 502 and name Y)
# ( resid 3 and name N)
# ( resid 3 and name HN) 0.04 0.0917621916
;
1360 9 1366 8 parsed_6uck 1
124
;
assign ( resid 50
# ( resid 502 and name Z)
# ( resid 502 and name X)
# ( resid 502 and name Y)
# ( resid 4 and name N)
# ( resid 4 and name HN) -0.76 0.089234398
;
1367 9 1373 8 parsed_6uck 1
125
;
assign ( resid 50
# ( resid 502 and name Z)
# ( resid 502 and name X)
# ( resid 502 and name Y)
# ( resid 5 and name N)
# ( resid 5 and name HN) -0.826 0.1146229637
;
1374 9 1380 8 parsed_6uck 1
126
;
assign ( resid 50
# ( resid 502 and name Z)
# ( resid 502 and name X)
# ( resid 502 and name Y)
# ( resid 6 and name N)
# ( resid 6 and name HN) -0.22 0.2071968805
;
1381 9 1387 8 parsed_6uck 1
127
;
assign ( resid 50
# ( resid 502 and name Z)
# ( resid 502 and name X)
# ( resid 502 and name Y)
# ( resid 7 and name N)
# ( resid 7 and name HN) -3.35 0.0950475537
;
1388 9 1394 8 parsed_6uck 1
128
;
assign ( resid 50
# ( resid 502 and name Z)
# ( resid 502 and name X)
# ( resid 502 and name Y)
# ( resid 8 and name N)
# ( resid 8 and name HN) -2.01 0.0665451043
;
1395 9 1401 8 parsed_6uck 1
129
;
assign ( resid 50
# ( resid 502 and name Z)
# ( resid 502 and name X)
# ( resid 502 and name Y)
# ( resid 9 and name N)
# ( resid 9 and name HN) -1.13 0.1348832796
;
1402 9 1408 8 parsed_6uck 1
130
;
assign ( resid 50
# ( resid 502 and name Z)
# ( resid 502 and name X)
# ( resid 502 and name Y)
# ( resid 11 and name N)
# ( resid 11 and name HN) -14.25 0.3526745529
;
1409 9 1414 76 parsed_6uck 1
131 "#" 1479 1 1479 1 parsed_6uck 1
132
;
assign ( resid 50
# ( resid 502 and name Z)
# ( resid 502 and name X)
# ( resid 502 and name Y)
# ( resid 31 and name N)
# ( resid 31 and name HN) 6.08 0.2601081506 #overlap w S40
;
1479 9 1484 91 parsed_6uck 1
133 "#" 1521 1 1521 1 parsed_6uck 1
134
;
assign ( resid 50
# ( resid 502 and name Z)
# ( resid 502 and name X)
# ( resid 502 and name Y)
# ( resid 37 and name N)
# ( resid 37 and name HN) -4.91 0.2462949734 #overlap w Y64
;
1521 9 1526 91 parsed_6uck 1
135 "#" 1542 1 1542 1 parsed_6uck 1
136
;
assign ( resid 50
# ( resid 502 and name Z)
# ( resid 502 and name X)
# ( resid 502 and name Y)
# ( resid 40 and name N)
# ( resid 40 and name HN) 9 0.1645240524
;
1542 9 1548 8 parsed_6uck 1
137
;
assign ( resid 50
# ( resid 502 and name Z)
# ( resid 502 and name X)
# ( resid 502 and name Y)
# ( resid 41 and name N)
# ( resid 41 and name HN) 0.19 0.1510311603
;
1549 9 1555 8 parsed_6uck 1
138
;
assign ( resid 50
# ( resid 502 and name Z)
# ( resid 502 and name X)
# ( resid 502 and name Y)
# ( resid 42 and name N)
# ( resid 42 and name HN) -1.19 0.1538353675
;
1556 9 1562 8 parsed_6uck 1
139
;
assign ( resid 50
# ( resid 502 and name Z)
# ( resid 502 and name X)
# ( resid 502 and name Y)
# ( resid 43 and name N)
# ( resid 43 and name HN) 3.65 0.1177880192
;
1563 9 1569 8 parsed_6uck 1
140
;
assign ( resid 50
# ( resid 502 and name Z)
# ( resid 502 and name X)
# ( resid 502 and name Y)
# ( resid 44 and name N)
# ( resid 44 and name HN) -2.15 0.1116379125
;
1570 9 1576 8 parsed_6uck 1
141
;
assign ( resid 50
# ( resid 502 and name Z)
# ( resid 502 and name X)
# ( resid 502 and name Y)
# ( resid 45 and name N)
# ( resid 45 and name HN) -2.47 0.0446309926
;
1577 9 1583 8 parsed_6uck 1
142
;
assign ( resid 50
# ( resid 502 and name Z)
# ( resid 502 and name X)
# ( resid 502 and name Y)
# ( resid 46 and name N)
# ( resid 46 and name HN) -0.56 0.0964228555
;
1584 9 1590 8 parsed_6uck 1
143
;
assign ( resid 50
# ( resid 502 and name Z)
# ( resid 502 and name X)
# ( resid 502 and name Y)
# ( resid 47 and name N)
# ( resid 47 and name HN) 1.62 0.1064435262
;
1591 9 1597 8 parsed_6uck 1
144
;
assign ( resid 50
# ( resid 502 and name Z)
# ( resid 502 and name X)
# ( resid 502 and name Y)
# ( resid 49 and name N)
# ( resid 49 and name HN) -4.9 0.1583097706
;
1598 9 1604 8 parsed_6uck 1
145
;
assign ( resid 50
# ( resid 502 and name Z)
# ( resid 502 and name X)
# ( resid 502 and name Y)
# ( resid 50 and name N)
# ( resid 50 and name HN) -6.4 0.2283615917
;
1605 9 1610 76 parsed_6uck 1
146 "#" 1689 1 1689 1 parsed_6uck 1
147
;
assign ( resid 50
# ( resid 502 and name Z)
# ( resid 502 and name X)
# ( resid 502 and name Y)
# ( resid 64 and name N)
# ( resid 64 and name HN) -2.2 0.4111985234 #overlap w I37
;
1689 9 1694 91 parsed_6uck 1
148 "#" 1703 1 1703 1 parsed_6uck 1
149
;
assign ( resid 50
# ( resid 502 and name Z)
# ( resid 502 and name X)
# ( resid 502 and name Y)
# ( resid 67 and name N)
# ( resid 67 and name HN) -0.61 0.1040926811
# Restraints file 8: dc_posSAG_CH.tbl
;
1703 9 1709 37 parsed_6uck 1
stop_
save_
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