NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
646231 |
6ucj   |
50007 | cing | 2-parsed | STAR | dipolar coupling | 111 |
data_6ucj_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6ucj
_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_6ucj 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6ucj
_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 6ucj "Master copy" parsed_6ucj
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6ucj
_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 6ucj.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6ucj 1
1 6ucj.mr . . XPLOR/CNS 2 "dipolar coupling" "Not applicable" "Not applicable" 111 parsed_6ucj 1
1 6ucj.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 0 parsed_6ucj 1
1 6ucj.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_6ucj 1
1 6ucj.mr . . XPLOR/CNS 5 distance NOE ambi 0 parsed_6ucj 1
1 6ucj.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_6ucj 1
1 6ucj.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6ucj 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_2
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_6ucj
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . -9.78 . . . . . 13 . N . 13 . HN parsed_6ucj 1
2 . . . . . . . . . . . . . . . . 1.05 . . . . . 14 . N . 14 . HN parsed_6ucj 1
3 . . . . . . . . . . . . . . . . 1.23 . . . . . 15 . N . 15 . HN parsed_6ucj 1
4 . . . . . . . . . . . . . . . . -6.85 . . . . . 16 . N . 16 . HN parsed_6ucj 1
5 . . . . . . . . . . . . . . . . 0.31 . . . . . 17 . N . 17 . HN parsed_6ucj 1
6 . . . . . . . . . . . . . . . . -4.64 . . . . . 20 . N . 20 . HN parsed_6ucj 1
7 . . . . . . . . . . . . . . . . 1.73 . . . . . 21 . N . 21 . HN parsed_6ucj 1
8 . . . . . . . . . . . . . . . . -2.90 . . . . . 23 . N . 23 . HN parsed_6ucj 1
9 . . . . . . . . . . . . . . . . -0.44 . . . . . 24 . N . 24 . HN parsed_6ucj 1
10 . . . . . . . . . . . . . . . . 3.50 . . . . . 25 . N . 25 . HN parsed_6ucj 1
11 . . . . . . . . . . . . . . . . 1.78 . . . . . 28 . N . 28 . HN parsed_6ucj 1
12 . . . . . . . . . . . . . . . . -4.35 . . . . . 29 . N . 29 . HN parsed_6ucj 1
13 . . . . . . . . . . . . . . . . -3.15 . . . . . 30 . N . 30 . HN parsed_6ucj 1
14 . . . . . . . . . . . . . . . . 5.25 . . . . . 32 . N . 32 . HN parsed_6ucj 1
15 . . . . . . . . . . . . . . . . 0.70 . . . . . 33 . N . 33 . HN parsed_6ucj 1
16 . . . . . . . . . . . . . . . . 3.17 . . . . . 34 . N . 34 . HN parsed_6ucj 1
17 . . . . . . . . . . . . . . . . 2.06 . . . . . 35 . N . 35 . HN parsed_6ucj 1
18 . . . . . . . . . . . . . . . . 3.78 . . . . . 36 . N . 36 . HN parsed_6ucj 1
19 . . . . . . . . . . . . . . . . 0.83 . . . . . 38 . N . 38 . HN parsed_6ucj 1
20 . . . . . . . . . . . . . . . . 3.70 . . . . . 39 . N . 39 . HN parsed_6ucj 1
21 . . . . . . . . . . . . . . . . 0.36 . . . . . 52 . N . 52 . HN parsed_6ucj 1
22 . . . . . . . . . . . . . . . . -4.88 . . . . . 53 . N . 53 . HN parsed_6ucj 1
23 . . . . . . . . . . . . . . . . -6.08 . . . . . 54 . N . 54 . HN parsed_6ucj 1
24 . . . . . . . . . . . . . . . . 0.77 . . . . . 55 . N . 55 . HN parsed_6ucj 1
25 . . . . . . . . . . . . . . . . -0.23 . . . . . 56 . N . 56 . HN parsed_6ucj 1
26 . . . . . . . . . . . . . . . . -4.41 . . . . . 57 . N . 57 . HN parsed_6ucj 1
27 . . . . . . . . . . . . . . . . -3.68 . . . . . 58 . N . 58 . HN parsed_6ucj 1
28 . . . . . . . . . . . . . . . . -0.71 . . . . . 62 . N . 62 . HN parsed_6ucj 1
29 . . . . . . . . . . . . . . . . -1.37 . . . . . 63 . N . 63 . HN parsed_6ucj 1
30 . . . . . . . . . . . . . . . . 0.02 . . . . . 65 . N . 65 . HN parsed_6ucj 1
31 . . . . . . . . . . . . . . . . -20.84 . . . . . 13 . CA . 13 . HA parsed_6ucj 1
32 . . . . . . . . . . . . . . . . -7.64 . . . . . 14 . CA . 14 . HA parsed_6ucj 1
33 . . . . . . . . . . . . . . . . -4.36 . . . . . 16 . CA . 16 . HA parsed_6ucj 1
34 . . . . . . . . . . . . . . . . 9.65 . . . . . 19 . CA . 19 . HA parsed_6ucj 1
35 . . . . . . . . . . . . . . . . 27.49 . . . . . 20 . CA . 20 . HA parsed_6ucj 1
36 . . . . . . . . . . . . . . . . 8.04 . . . . . 22 . CA . 22 . HA parsed_6ucj 1
37 . . . . . . . . . . . . . . . . -25.77 . . . . . 25 . CA . 25 . HA parsed_6ucj 1
38 . . . . . . . . . . . . . . . . 19.11 . . . . . 26 . CA . 26 . HA parsed_6ucj 1
39 . . . . . . . . . . . . . . . . -6.23 . . . . . 27 . CA . 27 . HA parsed_6ucj 1
40 . . . . . . . . . . . . . . . . 30.51 . . . . . 28 . CA . 28 . HA parsed_6ucj 1
41 . . . . . . . . . . . . . . . . -24.75 . . . . . 29 . CA . 29 . HA parsed_6ucj 1
42 . . . . . . . . . . . . . . . . -1.81 . . . . . 30 . CA . 30 . HA parsed_6ucj 1
43 . . . . . . . . . . . . . . . . 16.31 . . . . . 31 . CA . 31 . HA parsed_6ucj 1
44 . . . . . . . . . . . . . . . . 5.86 . . . . . 32 . CA . 32 . HA parsed_6ucj 1
45 . . . . . . . . . . . . . . . . -12.96 . . . . . 33 . CA . 33 . HA parsed_6ucj 1
46 . . . . . . . . . . . . . . . . 3.66 . . . . . 34 . CA . 34 . HA parsed_6ucj 1
47 . . . . . . . . . . . . . . . . -0.07 . . . . . 35 . CA . 35 . HA# parsed_6ucj 1
48 . . . . . . . . . . . . . . . . -6.55 . . . . . 36 . CA . 36 . HA parsed_6ucj 1
49 . . . . . . . . . . . . . . . . 1.68 . . . . . 37 . CA . 37 . HA parsed_6ucj 1
50 . . . . . . . . . . . . . . . . -5.63 . . . . . 38 . CA . 38 . HA parsed_6ucj 1
51 . . . . . . . . . . . . . . . . 10.35 . . . . . 39 . CA . 39 . HA parsed_6ucj 1
52 . . . . . . . . . . . . . . . . -9.09 . . . . . 51 . CA . 51 . HA parsed_6ucj 1
53 . . . . . . . . . . . . . . . . -4.06 . . . . . 52 . CA . 52 . HA parsed_6ucj 1
54 . . . . . . . . . . . . . . . . 6.12 . . . . . 53 . CA . 53 . HA parsed_6ucj 1
55 . . . . . . . . . . . . . . . . 13.93 . . . . . 54 . CA . 54 . HA parsed_6ucj 1
56 . . . . . . . . . . . . . . . . -11.92 . . . . . 55 . CA . 55 . HA parsed_6ucj 1
57 . . . . . . . . . . . . . . . . -3.34 . . . . . 56 . CA . 56 . HA parsed_6ucj 1
58 . . . . . . . . . . . . . . . . 21.45 . . . . . 57 . CA . 57 . HA parsed_6ucj 1
59 . . . . . . . . . . . . . . . . -7.62 . . . . . 58 . CA . 58 . HA parsed_6ucj 1
60 . . . . . . . . . . . . . . . . -3.54 . . . . . 59 . CA . 59 . HA parsed_6ucj 1
61 . . . . . . . . . . . . . . . . -15.16 . . . . . 61 . CA . 61 . HA parsed_6ucj 1
62 . . . . . . . . . . . . . . . . -6.3 . . . . . 62 . CA . 62 . HA parsed_6ucj 1
63 . . . . . . . . . . . . . . . . 7.17 . . . . . 63 . CA . 63 . HA parsed_6ucj 1
64 . . . . . . . . . . . . . . . . -3.57 . . . . . 64 . CA . 64 . HA parsed_6ucj 1
65 . . . . . . . . . . . . . . . . 3.89 . . . . . 14 . N . 14 . HN parsed_6ucj 1
66 . . . . . . . . . . . . . . . . -15.33 . . . . . 15 . N . 15 . HN parsed_6ucj 1
67 . . . . . . . . . . . . . . . . -18.68 . . . . . 16 . N . 16 . HN parsed_6ucj 1
68 . . . . . . . . . . . . . . . . -3.36 . . . . . 17 . N . 17 . HN parsed_6ucj 1
69 . . . . . . . . . . . . . . . . -12.31 . . . . . 20 . N . 20 . HN parsed_6ucj 1
70 . . . . . . . . . . . . . . . . -1.88 . . . . . 24 . N . 24 . HN parsed_6ucj 1
71 . . . . . . . . . . . . . . . . 2.24 . . . . . 25 . N . 25 . HN parsed_6ucj 1
72 . . . . . . . . . . . . . . . . 10.98 . . . . . 28 . N . 28 . HN parsed_6ucj 1
73 . . . . . . . . . . . . . . . . -15.01 . . . . . 30 . N . 30 . HN parsed_6ucj 1
74 . . . . . . . . . . . . . . . . 14.6 . . . . . 32 . N . 32 . HN parsed_6ucj 1
75 . . . . . . . . . . . . . . . . -5.99 . . . . . 33 . N . 33 . HN parsed_6ucj 1
76 . . . . . . . . . . . . . . . . 8.34 . . . . . 34 . N . 34 . HN parsed_6ucj 1
77 . . . . . . . . . . . . . . . . 14.45 . . . . . 35 . N . 35 . HN parsed_6ucj 1
78 . . . . . . . . . . . . . . . . 15.02 . . . . . 36 . N . 36 . HN parsed_6ucj 1
79 . . . . . . . . . . . . . . . . 9.28 . . . . . 38 . N . 38 . HN parsed_6ucj 1
80 . . . . . . . . . . . . . . . . 12.35 . . . . . 39 . N . 39 . HN parsed_6ucj 1
81 . . . . . . . . . . . . . . . . -5 . . . . . 51 . N . 51 . HN parsed_6ucj 1
82 . . . . . . . . . . . . . . . . -11.95 . . . . . 52 . N . 52 . HN parsed_6ucj 1
83 . . . . . . . . . . . . . . . . -9 . . . . . 53 . N . 53 . HN parsed_6ucj 1
84 . . . . . . . . . . . . . . . . -8.61 . . . . . 54 . N . 54 . HN parsed_6ucj 1
85 . . . . . . . . . . . . . . . . -10.17 . . . . . 55 . N . 55 . HN parsed_6ucj 1
86 . . . . . . . . . . . . . . . . -13.75 . . . . . 56 . N . 56 . HN parsed_6ucj 1
87 . . . . . . . . . . . . . . . . -9.89 . . . . . 57 . N . 57 . HN parsed_6ucj 1
88 . . . . . . . . . . . . . . . . -7.68 . . . . . 58 . N . 58 . HN parsed_6ucj 1
89 . . . . . . . . . . . . . . . . -9.39 . . . . . 59 . N . 59 . HN parsed_6ucj 1
90 . . . . . . . . . . . . . . . . -1.95 . . . . . 62 . N . 62 . HN parsed_6ucj 1
91 . . . . . . . . . . . . . . . . -3.42 . . . . . 63 . N . 63 . HN parsed_6ucj 1
92 . . . . . . . . . . . . . . . . -0.41 . . . . . 65 . N . 65 . HN parsed_6ucj 1
93 . . . . . . . . . . . . . . . . 40.35 . . . . . 29 . CA . 29 . HA parsed_6ucj 1
94 . . . . . . . . . . . . . . . . 5.89 . . . . . 31 . CA . 31 . HA parsed_6ucj 1
95 . . . . . . . . . . . . . . . . 17.56 . . . . . 33 . CA . 33 . HA parsed_6ucj 1
96 . . . . . . . . . . . . . . . . 21 . . . . . 34 . CA . 34 . HA parsed_6ucj 1
97 . . . . . . . . . . . . . . . . 15.82 . . . . . 35 . CA . 35 . HA# parsed_6ucj 1
98 . . . . . . . . . . . . . . . . 12.8 . . . . . 36 . CA . 36 . HA parsed_6ucj 1
99 . . . . . . . . . . . . . . . . 6.92 . . . . . 37 . CA . 37 . HA parsed_6ucj 1
100 . . . . . . . . . . . . . . . . 26.17 . . . . . 38 . CA . 38 . HA parsed_6ucj 1
101 . . . . . . . . . . . . . . . . -2.89 . . . . . 39 . CA . 39 . HA parsed_6ucj 1
102 . . . . . . . . . . . . . . . . -3.14 . . . . . 51 . CA . 51 . HA parsed_6ucj 1
103 . . . . . . . . . . . . . . . . 16.25 . . . . . 53 . CA . 53 . HA parsed_6ucj 1
104 . . . . . . . . . . . . . . . . -16.4 . . . . . 54 . CA . 54 . HA parsed_6ucj 1
105 . . . . . . . . . . . . . . . . 3.87 . . . . . 55 . CA . 55 . HA parsed_6ucj 1
106 . . . . . . . . . . . . . . . . 21.2 . . . . . 57 . CA . 57 . HA parsed_6ucj 1
107 . . . . . . . . . . . . . . . . 3.26 . . . . . 58 . CA . 58 . HA parsed_6ucj 1
108 . . . . . . . . . . . . . . . . 10.55 . . . . . 61 . CA . 61 . HA parsed_6ucj 1
109 . . . . . . . . . . . . . . . . -6.3 . . . . . 62 . CA . 62 . HA parsed_6ucj 1
110 . . . . . . . . . . . . . . . . -0.81 . . . . . 63 . CA . 63 . HA parsed_6ucj 1
111 . . . . . . . . . . . . . . . . 18.71 . . . . . 64 . CA . 64 . HA parsed_6ucj 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 1: dc_neuSAG_NH.tbl
# assign ( resid 501 and name OO)
;
1 1 2 1 parsed_6ucj 1
2
;
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
;
2 9 8 12 parsed_6ucj 1
3
;
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
;
9 9 15 12 parsed_6ucj 1
4
;
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
;
16 9 22 12 parsed_6ucj 1
5
;
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
;
23 9 29 12 parsed_6ucj 1
6
;
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
;
30 9 36 12 parsed_6ucj 1
7
;
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
;
37 9 43 12 parsed_6ucj 1
8
;
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
;
44 9 50 12 parsed_6ucj 1
9
;
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
;
51 9 57 12 parsed_6ucj 1
10
;
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
;
58 9 64 12 parsed_6ucj 1
11
;
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
;
65 9 70 68 parsed_6ucj 1
12
;
#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
;
107 9 112 89 parsed_6ucj 1
13 "#" 128 1 128 1 parsed_6ucj 1
14
;
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
;
128 9 133 86 parsed_6ucj 1
15 "#" 156 1 156 1 parsed_6ucj 1
16
;
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
;
156 9 161 68 parsed_6ucj 1
17 "#" 184 1 184 1 parsed_6ucj 1
18
;
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
;
184 9 189 86 parsed_6ucj 1
19 "#" 226 1 226 1 parsed_6ucj 1
20
;
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
;
226 9 231 86 parsed_6ucj 1
21 "#" 247 1 247 1 parsed_6ucj 1
22
;
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
;
247 9 253 12 parsed_6ucj 1
23
;
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
;
254 9 260 12 parsed_6ucj 1
24
;
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
;
261 9 267 12 parsed_6ucj 1
25
;
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
;
268 9 274 12 parsed_6ucj 1
26
;
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
;
275 9 281 12 parsed_6ucj 1
27
;
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
;
282 9 288 12 parsed_6ucj 1
28
;
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
;
289 9 295 12 parsed_6ucj 1
29
;
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
;
296 9 302 12 parsed_6ucj 1
30
;
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
;
303 9 309 12 parsed_6ucj 1
31
;
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
;
310 9 316 12 parsed_6ucj 1
32
;
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
;
317 9 323 12 parsed_6ucj 1
33
;
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
;
324 9 329 99 parsed_6ucj 1
34 "#" 380 1 380 1 parsed_6ucj 1
35
;
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
;
380 9 385 100 parsed_6ucj 1
36 "#" 401 1 401 1 parsed_6ucj 1
37
;
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
;
401 9 406 86 parsed_6ucj 1
38 "#" 415 1 415 1 parsed_6ucj 1
39
;
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
;
415 9 421 12 parsed_6ucj 1
40
;
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
;
422 9 428 12 parsed_6ucj 1
41
;
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
;
429 9 435 12 parsed_6ucj 1
42
;
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
;
436 9 442 12 parsed_6ucj 1
43
;
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 2: dc_negSAG_CH.tbl
;
443 9 449 37 parsed_6ucj 1
44
;
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
;
450 9 456 10 parsed_6ucj 1
45
;
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
;
457 9 463 10 parsed_6ucj 1
46
;
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
;
464 9 470 10 parsed_6ucj 1
47
;
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
;
471 9 477 10 parsed_6ucj 1
48
;
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
;
478 9 484 10 parsed_6ucj 1
49
;
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
;
485 9 491 10 parsed_6ucj 1
50
;
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
;
492 9 498 10 parsed_6ucj 1
51
;
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
;
499 9 505 10 parsed_6ucj 1
52
;
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
;
506 9 512 10 parsed_6ucj 1
53
;
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
;
513 9 519 10 parsed_6ucj 1
54
;
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
;
520 9 525 77 parsed_6ucj 1
55
;
#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
;
548 9 553 76 parsed_6ucj 1
56 "#" 681 1 681 1 parsed_6ucj 1
57
;
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
;
681 9 687 10 parsed_6ucj 1
58
;
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
;
688 9 694 10 parsed_6ucj 1
59
;
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
;
695 9 701 10 parsed_6ucj 1
60
;
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
;
702 9 708 10 parsed_6ucj 1
61
;
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
;
709 9 715 10 parsed_6ucj 1
62
;
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
;
716 9 722 10 parsed_6ucj 1
63
;
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
;
723 9 729 10 parsed_6ucj 1
64
;
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
;
730 9 736 10 parsed_6ucj 1
65
;
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
;
737 9 743 10 parsed_6ucj 1
66
;
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
;
744 9 750 10 parsed_6ucj 1
67
;
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
;
751 9 756 76 parsed_6ucj 1
68 "#s/n <15" 798 81 798 88 parsed_6ucj 1
69 "#s/n <15" 805 81 805 88 parsed_6ucj 1
70 "#overlap w/ acrylamide" 812 81 812 102 parsed_6ucj 1
71 "#" 849 1 849 1 parsed_6ucj 1
72
;
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
;
849 9 855 10 parsed_6ucj 1
73
;
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
;
856 9 862 10 parsed_6ucj 1
74
;
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
;
863 9 869 10 parsed_6ucj 1
75
;
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
;
870 9 876 10 parsed_6ucj 1
76
;
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
;
877 9 883 10 parsed_6ucj 1
77
;
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 3: dc_posSAG_NH.tbl
;
884 9 890 37 parsed_6ucj 1
78
;
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
;
891 9 897 8 parsed_6ucj 1
79
;
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
;
898 9 904 8 parsed_6ucj 1
80
;
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
;
905 9 911 8 parsed_6ucj 1
81
;
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
;
912 9 918 8 parsed_6ucj 1
82
;
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
;
919 9 925 8 parsed_6ucj 1
83
;
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
;
926 9 932 8 parsed_6ucj 1
84
;
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
;
933 9 939 8 parsed_6ucj 1
85
;
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
;
940 9 945 76 parsed_6ucj 1
86 "#" 1010 1 1010 1 parsed_6ucj 1
87
;
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
;
1010 9 1015 91 parsed_6ucj 1
88 "#" 1052 1 1052 1 parsed_6ucj 1
89
;
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
;
1052 9 1057 91 parsed_6ucj 1
90 "#" 1073 1 1073 1 parsed_6ucj 1
91
;
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
;
1073 9 1079 8 parsed_6ucj 1
92
;
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
;
1080 9 1086 8 parsed_6ucj 1
93
;
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
;
1087 9 1093 8 parsed_6ucj 1
94
;
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
;
1094 9 1100 8 parsed_6ucj 1
95
;
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
;
1101 9 1107 8 parsed_6ucj 1
96
;
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
;
1108 9 1114 8 parsed_6ucj 1
97
;
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
;
1115 9 1121 8 parsed_6ucj 1
98
;
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
;
1122 9 1128 8 parsed_6ucj 1
99
;
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
;
1129 9 1135 8 parsed_6ucj 1
100
;
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
;
1136 9 1141 76 parsed_6ucj 1
101 "#" 1220 1 1220 1 parsed_6ucj 1
102
;
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
;
1220 9 1225 91 parsed_6ucj 1
103 "#" 1234 1 1234 1 parsed_6ucj 1
104
;
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 4: dc_posSAG_CH.tbl
;
1234 9 1240 37 parsed_6ucj 1
stop_
save_
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