NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
48779 |
2joa   |
15154 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 42 |
data_2joa_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2joa
_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_2joa 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2joa
_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 2joa "Master copy" parsed_2joa
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2joa
_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 2joa.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2joa 1
1 2joa.mr . . XPLOR/CNS 2 distance NOE simple 1310 parsed_2joa 1
1 2joa.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 153 parsed_2joa 1
1 2joa.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 21 parsed_2joa 1
1 2joa.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 42 parsed_2joa 1
1 2joa.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2joa 1
stop_
save_
save_CNS/XPLOR_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2joa
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 5
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_2joa 1
2 1 . . . parsed_2joa 1
3 1 . . . parsed_2joa 1
4 1 . . . parsed_2joa 1
5 1 . . . parsed_2joa 1
6 1 . . . parsed_2joa 1
7 1 . . . parsed_2joa 1
8 1 . . . parsed_2joa 1
9 1 . . . parsed_2joa 1
10 1 . . . parsed_2joa 1
11 1 . . . parsed_2joa 1
12 1 . . . parsed_2joa 1
13 1 . . . parsed_2joa 1
14 1 . . . parsed_2joa 1
15 1 . . . parsed_2joa 1
16 1 . . . parsed_2joa 1
17 1 . . . parsed_2joa 1
18 1 . . . parsed_2joa 1
19 1 . . . parsed_2joa 1
20 1 . . . parsed_2joa 1
21 1 . . . parsed_2joa 1
22 1 . . . parsed_2joa 1
23 1 . . . parsed_2joa 1
24 1 . . . parsed_2joa 1
25 1 . . . parsed_2joa 1
26 1 . . . parsed_2joa 1
27 1 . . . parsed_2joa 1
28 1 . . . parsed_2joa 1
29 1 . . . parsed_2joa 1
30 1 . . . parsed_2joa 1
31 1 . . . parsed_2joa 1
32 1 . . . parsed_2joa 1
33 1 . . . parsed_2joa 1
34 1 . . . parsed_2joa 1
35 1 . . . parsed_2joa 1
36 1 . . . parsed_2joa 1
37 1 . . . parsed_2joa 1
38 1 . . . parsed_2joa 1
39 1 . . . parsed_2joa 1
40 1 . . . parsed_2joa 1
41 1 . . . parsed_2joa 1
42 1 . . . parsed_2joa 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . A 13 . HN parsed_2joa 1
1 1 2 . . . . . . . . A 38 . O parsed_2joa 1
2 1 1 . . . . . . . . A 13 . N parsed_2joa 1
2 1 2 . . . . . . . . A 38 . O parsed_2joa 1
3 1 1 . . . . . . . . A 20 . HN parsed_2joa 1
3 1 2 . . . . . . . . A 16 . O parsed_2joa 1
4 1 1 . . . . . . . . A 20 . N parsed_2joa 1
4 1 2 . . . . . . . . A 16 . O parsed_2joa 1
5 1 1 . . . . . . . . A 37 . HN parsed_2joa 1
5 1 2 . . . . . . . . A 59 . O parsed_2joa 1
6 1 1 . . . . . . . . A 37 . N parsed_2joa 1
6 1 2 . . . . . . . . A 59 . O parsed_2joa 1
7 1 1 . . . . . . . . A 38 . HN parsed_2joa 1
7 1 2 . . . . . . . . A 13 . O parsed_2joa 1
8 1 1 . . . . . . . . A 38 . N parsed_2joa 1
8 1 2 . . . . . . . . A 13 . O parsed_2joa 1
9 1 1 . . . . . . . . A 39 . HN parsed_2joa 1
9 1 2 . . . . . . . . A 57 . O parsed_2joa 1
10 1 1 . . . . . . . . A 39 . N parsed_2joa 1
10 1 2 . . . . . . . . A 57 . O parsed_2joa 1
11 1 1 . . . . . . . . A 51 . HN parsed_2joa 1
11 1 2 . . . . . . . . A 47 . O parsed_2joa 1
12 1 1 . . . . . . . . A 51 . N parsed_2joa 1
12 1 2 . . . . . . . . A 47 . O parsed_2joa 1
13 1 1 . . . . . . . . A 53 . HN parsed_2joa 1
13 1 2 . . . . . . . . A 48 . O parsed_2joa 1
14 1 1 . . . . . . . . A 53 . N parsed_2joa 1
14 1 2 . . . . . . . . A 48 . O parsed_2joa 1
15 1 1 . . . . . . . . A 59 . HN parsed_2joa 1
15 1 2 . . . . . . . . A 37 . O parsed_2joa 1
16 1 1 . . . . . . . . A 59 . N parsed_2joa 1
16 1 2 . . . . . . . . A 37 . O parsed_2joa 1
17 1 1 . . . . . . . . A 62 . HN parsed_2joa 1
17 1 2 . . . . . . . . A 65 . O parsed_2joa 1
18 1 1 . . . . . . . . A 62 . N parsed_2joa 1
18 1 2 . . . . . . . . A 65 . O parsed_2joa 1
19 1 1 . . . . . . . . A 67 . HN parsed_2joa 1
19 1 2 . . . . . . . . A 60 . O parsed_2joa 1
20 1 1 . . . . . . . . A 67 . N parsed_2joa 1
20 1 2 . . . . . . . . A 60 . O parsed_2joa 1
21 1 1 . . . . . . . . A 73 . HN parsed_2joa 1
21 1 2 . . . . . . . . A 69 . O parsed_2joa 1
22 1 1 . . . . . . . . A 73 . N parsed_2joa 1
22 1 2 . . . . . . . . A 69 . O parsed_2joa 1
23 1 1 . . . . . . . . A 77 . HN parsed_2joa 1
23 1 2 . . . . . . . . A 73 . O parsed_2joa 1
24 1 1 . . . . . . . . A 77 . N parsed_2joa 1
24 1 2 . . . . . . . . A 73 . O parsed_2joa 1
25 1 1 . . . . . . . . A 78 . HN parsed_2joa 1
25 1 2 . . . . . . . . A 74 . O parsed_2joa 1
26 1 1 . . . . . . . . A 78 . N parsed_2joa 1
26 1 2 . . . . . . . . A 74 . O parsed_2joa 1
27 1 1 . . . . . . . . A 85 . HN parsed_2joa 1
27 1 2 . . . . . . . . A 96 . O parsed_2joa 1
28 1 1 . . . . . . . . A 85 . N parsed_2joa 1
28 1 2 . . . . . . . . A 96 . O parsed_2joa 1
29 1 1 . . . . . . . . A 87 . HN parsed_2joa 1
29 1 2 . . . . . . . . A 94 . O parsed_2joa 1
30 1 1 . . . . . . . . A 87 . N parsed_2joa 1
30 1 2 . . . . . . . . A 94 . O parsed_2joa 1
31 1 1 . . . . . . . . A 89 . HN parsed_2joa 1
31 1 2 . . . . . . . . A 92 . O parsed_2joa 1
32 1 1 . . . . . . . . A 89 . N parsed_2joa 1
32 1 2 . . . . . . . . A 92 . O parsed_2joa 1
33 1 1 . . . . . . . . A 92 . HN parsed_2joa 1
33 1 2 . . . . . . . . A 89 . O parsed_2joa 1
34 1 1 . . . . . . . . A 92 . N parsed_2joa 1
34 1 2 . . . . . . . . A 89 . O parsed_2joa 1
35 1 1 . . . . . . . . A 94 . HN parsed_2joa 1
35 1 2 . . . . . . . . A 87 . O parsed_2joa 1
36 1 1 . . . . . . . . A 94 . N parsed_2joa 1
36 1 2 . . . . . . . . A 87 . O parsed_2joa 1
37 1 1 . . . . . . . . A 96 . HN parsed_2joa 1
37 1 2 . . . . . . . . A 85 . O parsed_2joa 1
38 1 1 . . . . . . . . A 96 . N parsed_2joa 1
38 1 2 . . . . . . . . A 85 . O parsed_2joa 1
39 1 1 . . . . . . . . A 98 . HN parsed_2joa 1
39 1 2 . . . . . . . . A 83 . O parsed_2joa 1
40 1 1 . . . . . . . . A 98 . N parsed_2joa 1
40 1 2 . . . . . . . . A 83 . O parsed_2joa 1
41 1 1 . . . . . . . . A 12 . HN parsed_2joa 1
41 1 2 . . . . . . . . B 125 . O parsed_2joa 1
42 1 1 . . . . . . . . A 12 . N parsed_2joa 1
42 1 2 . . . . . . . . B 125 . O parsed_2joa 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.3 1.6 2.3 parsed_2joa 1
2 1 . . . . . 3.4 2.5 3.4 parsed_2joa 1
3 1 . . . . . 2.3 1.6 2.3 parsed_2joa 1
4 1 . . . . . 3.4 2.5 3.4 parsed_2joa 1
5 1 . . . . . 2.3 1.6 2.3 parsed_2joa 1
6 1 . . . . . 3.4 2.5 3.4 parsed_2joa 1
7 1 . . . . . 2.3 1.6 2.3 parsed_2joa 1
8 1 . . . . . 3.4 2.5 3.4 parsed_2joa 1
9 1 . . . . . 2.3 1.6 2.3 parsed_2joa 1
10 1 . . . . . 3.4 2.5 3.4 parsed_2joa 1
11 1 . . . . . 2.3 1.6 2.3 parsed_2joa 1
12 1 . . . . . 3.4 2.5 3.4 parsed_2joa 1
13 1 . . . . . 2.3 1.6 2.3 parsed_2joa 1
14 1 . . . . . 3.4 2.5 3.4 parsed_2joa 1
15 1 . . . . . 2.3 1.6 2.3 parsed_2joa 1
16 1 . . . . . 3.4 2.5 3.4 parsed_2joa 1
17 1 . . . . . 2.3 1.6 2.3 parsed_2joa 1
18 1 . . . . . 3.4 2.5 3.4 parsed_2joa 1
19 1 . . . . . 2.3 1.6 2.3 parsed_2joa 1
20 1 . . . . . 3.4 2.5 3.4 parsed_2joa 1
21 1 . . . . . 2.3 1.6 2.3 parsed_2joa 1
22 1 . . . . . 3.4 2.5 3.4 parsed_2joa 1
23 1 . . . . . 2.3 1.6 2.3 parsed_2joa 1
24 1 . . . . . 3.4 2.5 3.4 parsed_2joa 1
25 1 . . . . . 2.3 1.6 2.3 parsed_2joa 1
26 1 . . . . . 3.4 2.5 3.4 parsed_2joa 1
27 1 . . . . . 2.3 1.6 2.3 parsed_2joa 1
28 1 . . . . . 3.4 2.5 3.4 parsed_2joa 1
29 1 . . . . . 2.3 1.6 2.3 parsed_2joa 1
30 1 . . . . . 3.4 2.5 3.4 parsed_2joa 1
31 1 . . . . . 2.3 1.6 2.3 parsed_2joa 1
32 1 . . . . . 3.4 2.5 3.4 parsed_2joa 1
33 1 . . . . . 2.3 1.6 2.3 parsed_2joa 1
34 1 . . . . . 3.4 2.5 3.4 parsed_2joa 1
35 1 . . . . . 2.3 1.6 2.3 parsed_2joa 1
36 1 . . . . . 3.4 2.5 3.4 parsed_2joa 1
37 1 . . . . . 2.3 1.6 2.3 parsed_2joa 1
38 1 . . . . . 3.4 2.5 3.4 parsed_2joa 1
39 1 . . . . . 2.3 1.6 2.3 parsed_2joa 1
40 1 . . . . . 3.4 2.5 3.4 parsed_2joa 1
41 1 . . . . . 2.3 1.6 2.3 parsed_2joa 1
42 1 . . . . . 3.4 2.5 3.4 parsed_2joa 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1
;
20060202a several H-bonds based on structures from 20060130a
INTRA-molecular hydrogen bond restraints
11-41
resid 11 has slo xchng data and noes to support the following bond:
assign (resid 11 and name HN and segid A )(resid 41 and name O and segid A ) 2.3 0.7 0.0 !
assign (resid 11 and name N and segid A )(resid 41 and name O and segid A ) 3.4 0.9 0.0 !
13-38
resid 13 has slo xchng data and noes to support the following bond:
;
2 1 12 69 parsed_2joa 1
2
;
17-?
resid 13 has slo xchng data and noes to support the following bond:
assign (resid 17 and name HN and segid A )(resid 38 and name O and segid A ) 2.3 0.7 0.0 !
assign (resid 17 and name N and segid A )(resid 38 and name O and segid A ) 3.4 0.9 0.0 !
************* Helix 1 *********************
only resid 20 has slow exchanging amide
;
14 101 22 42 parsed_2joa 1
3
;
assign (resid 21 and name HN and segid A )(resid 17 and name O and segid A ) 2.3 0.7 0.0 !
assign (resid 21 and name N and segid A )(resid 17 and name O and segid A ) 3.4 0.9 0.0 !
assign (resid 22 and name HN and segid A )(resid 18 and name O and segid A ) 2.3 0.7 0.0 !
assign (resid 22 and name N and segid A )(resid 18 and name O and segid A ) 3.4 0.9 0.0 !
assign (resid 23 and name HN and segid A )(resid 19 and name O and segid A ) 2.3 0.7 0.0 !
assign (resid 23 and name N and segid A )(resid 19 and name O and segid A ) 3.4 0.9 0.0 !
assign (resid 24 and name HN and segid A )(resid 20 and name O and segid A ) 2.3 0.7 0.0 !
assign (resid 24 and name N and segid A )(resid 20 and name O and segid A ) 3.4 0.9 0.0 !
assign (resid 25 and name HN and segid A )(resid 21 and name O and segid A ) 2.3 0.7 0.0 !
assign (resid 25 and name N and segid A )(resid 21 and name O and segid A ) 3.4 0.9 0.0 !
assign (resid 26 and name HN and segid A )(resid 22 and name O and segid A ) 2.3 0.7 0.0 !
assign (resid 26 and name N and segid A )(resid 22 and name O and segid A ) 3.4 0.9 0.0 !
assign (resid 27 and name HN and segid A )(resid 23 and name O and segid A ) 2.3 0.7 0.0 !
assign (resid 27 and name N and segid A )(resid 23 and name O and segid A ) 3.4 0.9 0.0 !
*********************************************
37-59
resid 37 has slo xchng data and noes to support the following bond:
;
24 101 49 69 parsed_2joa 1
4
;
38-13
resid 38 has slo xchng data and noes to support the following bond:
;
51 102 54 69 parsed_2joa 1
5
;
39-57
resid 39 has slo xchng data and noes to support the following bond:
;
56 101 59 69 parsed_2joa 1
6
;
40-11 (ADDED 20060131B /REMOVED 20060131C)
resid 41 has slo xchng data and noes to support the following bond:
assign (resid 40 and name HN and segid A )(resid 11 and name O and segid A ) 2.3 0.7 0.0 !
assign (resid 40 and name N and segid A )(resid 11 and name O and segid A ) 3.4 0.9 0.0 !
41-11
resid 41 has slo xchng data and noes to support the following bond:
assign (resid 41 and name HN and segid A )(resid 11 and name O and segid A ) 2.3 0.7 0.0 !
assign (resid 41 and name N and segid A )(resid 11 and name O and segid A ) 3.4 0.9 0.0 !
! 42-?
resid 84 has slo xchng data and but not enough noe support for a restraint
assign (resid 42 and name HN and segid A )(resid 61 and name O and segid A ) 2.3 0.7 0.0 !
assign (resid 42 and name N and segid A )(resid 61 and name O and segid A ) 3.4 0.9 0.0 !
43-9 (ADDED 20060131B)
resid 84 has slo xchng data and but not enough noe support for a restraint
assign (resid 43 and name HN and segid A )(resid 9 and name O and segid A ) 2.3 0.7 0.0 !
assign (resid 43 and name N and segid A )(resid 9 and name O and segid A ) 3.4 0.9 0.0 !
45-61
resid 45 has slo xchng data and but not enough noe support for a restraint
assign (resid 45 and name HN and segid A )(resid 61 and name O and segid A ) 2.3 0.7 0.0 !
assign (resid 45 and name N and segid A )(resid 61 and name O and segid A ) 3.4 0.9 0.0 !
46-?
resid 46 has slo xchng data and but not enough noe support for a restraint
assign (resid 46 and name HN and segid A )(resid 61 and name O and segid A ) 2.3 0.7 0.0 !
assign (resid 46 and name N and segid A )(resid 61 and name O and segid A ) 3.4 0.9 0.0 !
48-?
resid 46 has slo xchng data and but not enough noe support for a restraint
assign (resid 48 and name HN and segid A )(resid 61 and name O and segid A ) 2.3 0.7 0.0 !
assign (resid 48 and name N and segid A )(resid 61 and name O and segid A ) 3.4 0.9 0.0 !
******************* HElix 2 *********************************************************************
Only resid 51 has xchange data and noes to backup h-bond
assign (resid 49 and name HN and segid A )(resid 46 and name O and segid A ) 2.3 0.7 0.0 !
assign (resid 49 and name N and segid A )(resid 46 and name O and segid A ) 3.4 0.9 0.0 !
assign (resid 50 and name HN and segid A )(resid 46 and name O and segid A ) 2.3 0.7 0.0 !
assign (resid 50 and name N and segid A )(resid 46 and name O and segid A ) 3.4 0.9 0.0 !
;
61 101 105 2 parsed_2joa 1
7
;
residues 52 & 53 are involve in a reverse turn
assign (resid 52 and name HN and segid A )(resid 49 and name O and segid A ) 2.3 0.7 0.0 !
assign (resid 52 and name N and segid A )(resid 49 and name O and segid A ) 3.4 0.9 0.0 !
(ADDED 20060131B)
;
107 101 113 20 parsed_2joa 1
8
;
****************************************************************************************************
55-?
resid 55 has slo xchng data and but not enough noe support for a restraint
assign (resid 55 and name HN and segid A )(resid 61 and name O and segid A ) 2.3 0.7 0.0 !
assign (resid 55 and name N and segid A )(resid 61 and name O and segid A ) 3.4 0.9 0.0 !
56-?
resid 56 has slo xchng data and but not enough noe support for a restraint
assign (resid 56 and name HN and segid A )(resid 39 and name O and segid A ) 2.3 0.7 0.0 !
assign (resid 56 and name N and segid A )(resid 39 and name O and segid A ) 3.4 0.9 0.0 !
57-?
resid 57 has slo xchng data and but not enough noe support for a restraint
assign (resid 57 and name HN and segid A )(resid 61 and name O and segid A ) 2.3 0.7 0.0 !
assign (resid 57 and name N and segid A )(resid 61 and name O and segid A ) 3.4 0.9 0.0 !
58-?
resid 58 has slo xchng data and but not enough noe support for a restraint
assign (resid 58 and name HN and segid A )(resid 61 and name O and segid A ) 2.3 0.7 0.0 !
assign (resid 58 and name N and segid A )(resid 61 and name O and segid A ) 3.4 0.9 0.0 !
59-37
resid 59 has slo xchng data and noes to support the following bond:
;
115 101 140 69 parsed_2joa 1
9
;
61-86 (ADDED 20060131B / REMOVED 20060131D)
resid 61 has slo xchng data and noes to support the following bond:
assign (resid 61 and name HN and segid A )(resid 86 and name O and segid A ) 2.3 0.7 0.0 !
assign (resid 61 and name N and segid A )(resid 86 and name O and segid A ) 3.4 0.9 0.0 !
62-65 (ADDED 20060131B)
resid 62 has slo xchng data and but not enough noe support for a restraint
;
142 101 150 76 parsed_2joa 1
10
;
67-60 (ADDED 20060131B)
resid 67 has slo xchng data and but not enough noe support for a restraint
;
152 101 155 76 parsed_2joa 1
11
;
46-?
resid 46 has slo xchng data and but not enough noe support for a restraint
assign (resid 46 and name HN and segid A )(resid 61 and name O and segid A ) 2.3 0.7 0.0 !
assign (resid 46 and name N and segid A )(resid 61 and name O and segid A ) 3.4 0.9 0.0 !
*************** helix 3 ******************************************************************************
resid. 73 & 77 have slo xchng data and noes to support hbonds
;
157 101 166 63 parsed_2joa 1
12
;
(ADDED 20060131B)
assign (resid 74 and name HN and segid A )(resid 70 and name O and segid A ) 2.3 0.7 0.0 !
assign (resid 74 and name N and segid A )(resid 70 and name O and segid A ) 3.4 0.9 0.0 !
(ADDED 20060131B)
assign (resid 75 and name HN and segid A )(resid 71 and name O and segid A ) 2.3 0.7 0.0 !
assign (resid 75 and name N and segid A )(resid 71 and name O and segid A ) 3.4 0.9 0.0 !
(ADDED 20060131B)
assign (resid 76 and name HN and segid A )(resid 72 and name O and segid A ) 2.3 0.7 0.0 !
assign (resid 76 and name N and segid A )(resid 72 and name O and segid A ) 3.4 0.9 0.0 !
;
168 101 182 2 parsed_2joa 1
13 "(ADDED 20060131B)" 184 101 186 19 parsed_2joa 1
14
;
******************************************************************************************************
84-61
resid 84 has slo xchng data and noes to support the following bond:
assign (resid 84 and name HN and segid A )(resid 61 and name O and segid A ) 2.3 0.7 0.0 !
assign (resid 84 and name N and segid A )(resid 61 and name O and segid A ) 3.4 0.9 0.0 !
85-96
resid 85 has slo xchng data and noes to support the following bond:
;
188 101 198 69 parsed_2joa 1
15
;
86-61 (ADDED 20060131B / REMOVED 20060131D)
resid 86 has slo xchng data and but not enough noe support for a restraint
assign (resid 86 and name HN and segid A )(resid 61 and name O and segid A ) 2.3 0.7 0.0 !
assign (resid 86 and name N and segid A )(resid 61 and name O and segid A ) 3.4 0.9 0.0 !
??? 86-60 ???
resid 86 has slo xchng data and but not enough noe support for a restraint
assign (resid 86 and name HN and segid A )(resid 60 and name O and segid A ) 2.3 0.7 0.0 !
assign (resid 86 and name N and segid A )(resid 60 and name O and segid A ) 3.4 0.9 0.0 !
87-94 (ADDED 20060131B)
resid 87 has slo xchng data and but not enough noe support for a restraint
;
200 101 214 76 parsed_2joa 1
16
;
89-92 (ADDED 20060131B)
resid 89 has slo xchng data and noes to support the following bond:
;
216 101 219 69 parsed_2joa 1
17
;
92-89
resid 92 has slo xchng data and noes to support the following bond:
;
221 101 224 69 parsed_2joa 1
18
;
94-87
resid 94 has slo xchng data and noes to support the following bond:
;
226 101 229 69 parsed_2joa 1
19
;
96-85
resid 96 has slo xchng data and noes to support the following bond:
;
231 101 234 69 parsed_2joa 1
20
;
98-83
resid 98 has slo xchng data and noes to support the following bond:
;
236 101 239 69 parsed_2joa 1
21
;
99-?
resid 99 has slo xchng data and but no noes to support a restraint
assign (resid 99 and name HN and segid A )(resid 61 and name O and segid A ) 2.3 0.7 0.0 !
assign (resid 99 and name N and segid A )(resid 61 and name O and segid A ) 3.4 0.9 0.0 !
Intermolecular hbonds
8-127 CO2
resid 8 has slo xchng data BUT NOT noes to support the following bond:
assign (resid 8 and name HN and segid A )(resid 127 and name O and segid B ) 2.3 0.7 0.0 !
assign (resid 8 and name N and segid A )(resid 127 and name O and segid B ) 3.4 0.9 0.0 !
9-127 CO2
resid 9 has slo xchng data BUT NOT noes to support the following bond:
assign (resid 9 and name HN and segid A )(resid 127 and name OXT and segid B ) 2.3 0.7 0.0 !
assign (resid 9 and name N and segid A )(resid 127 and name OXT and segid B ) 3.4 0.9 0.0 !
10-127 CO2
resid 10 has slo xchng data and noes to support the following bond:
assign (resid 10 and name HN and segid A )(resid 127 and name OXT and segid B ) 2.3 0.7 0.0 !
assign (resid 10 and name N and segid A )(resid 127 and name OXT and segid B ) 3.4 0.9 0.0 !
127hn-10o
NO DATA TO SUPPORT THIS!
assign (resid 127 and name HN and segid A )(resid 10 and name O and segid B ) 2.3 0.7 0.0 !
assign (resid 127 and name N and segid A )(resid 10 and name O and segid B ) 3.4 0.9 0.0 !
12-125
resid 12 has slo xchng data and noes to support the following bond:
;
241 101 272 69 parsed_2joa 1
22
;
125-12 (ADDED 2006013E)
NO DATA TO SUPPORT THIS!
assign (resid 125 and name HN and segid A )(resid 12 and name O and segid B ) 2.3 0.7 0.0 !
assign (resid 125 and name N and segid A )(resid 12 and name O and segid B ) 3.4 0.9 0.0 !
40-13? NOE's d& xchng data back this up but it's weird
resid 40 has slo xchng data and noes to support the following bond:
assign (resid 40 and name HN and segid A )(resid 13 and name O and segid A ) 2.3 0.7 0.0 !
assign (resid 40 and name N and segid A )(resid 13 and name O and segid A ) 3.4 0.9 0.0 !
resid 42 has x data and noe to 55 hn,ha:
assign (resid 42 and name HN and segid A )(resid 54 and name O and segid A ) 2.3 0.7 0.0 !
assign (resid 42 and name N and segid A )(resid 54 and name O and segid A ) 3.4 0.9 0.0 !
;
274 102 289 2 parsed_2joa 1
stop_
save_
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