Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
29602 | 1b4c RC | 4001 | cing | 2-parsed | STAR | dipolar coupling | 521 |
data_1b4c_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1b4c
_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_1b4c 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1b4c
_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 1b4c "Master copy" parsed_1b4c
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1b4c
_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 1b4c.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1b4c 1
1 1b4c.mr . . XPLOR/CNS 2 distance NOE ambi 1780 parsed_1b4c 1
1 1b4c.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 340 parsed_1b4c 1
1 1b4c.mr . . XPLOR/CNS 4 distance symmetry simple 0 parsed_1b4c 1
1 1b4c.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 176 parsed_1b4c 1
1 1b4c.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 521 parsed_1b4c 1
1 1b4c.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1b4c 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_6
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_1b4c
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 6
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint.ID
_RDC_constraint.Assembly_atom_ID_1
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Seq_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Resonance_ID_1
_RDC_constraint.Assembly_atom_ID_2
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Seq_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.Resonance_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.Source_experiment_ID
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 . . . . . . . . . . . . . . . . -8.4400 -8.6400 -8.2400 . . sbm1 17 . N sbm1 17 . HN parsed_1b4c 1
2 . . . . . . . . . . . . . . . . 1.85 1.65 2.05 . . sbm1 19 . N sbm1 19 . HN parsed_1b4c 1
3 . . . . . . . . . . . . . . . . -6.77 -6.97 -6.57 . . sbm1 22 . N sbm1 22 . HN parsed_1b4c 1
4 . . . . . . . . . . . . . . . . 5.11 4.91 5.31 . . sbm1 23 . N sbm1 23 . HN parsed_1b4c 1
5 . . . . . . . . . . . . . . . . 9.11 8.91 9.31 . . sbm1 28 . N sbm1 28 . HN parsed_1b4c 1
6 . . . . . . . . . . . . . . . . 11.55 11.35 11.75 . . sbm1 29 . N sbm1 29 . HN parsed_1b4c 1
7 . . . . . . . . . . . . . . . . -0.1000 -0.3000 0.1000 . . sbm1 30 . N sbm1 30 . HN parsed_1b4c 1
8 . . . . . . . . . . . . . . . . 4.1800 3.9800 4.3800 . . sbm1 31 . N sbm1 31 . HN parsed_1b4c 1
9 . . . . . . . . . . . . . . . . 4.6200 4.4200 4.8200 . . sbm1 33 . N sbm1 33 . HN parsed_1b4c 1
10 . . . . . . . . . . . . . . . . -2.4100 -2.6100 -2.2100 . . sbm1 34 . N sbm1 34 . HN parsed_1b4c 1
11 . . . . . . . . . . . . . . . . 7.7700 7.5700 7.9700 . . sbm1 35 . N sbm1 35 . HN parsed_1b4c 1
12 . . . . . . . . . . . . . . . . 0.1800 -0.0200 0.3800 . . sbm1 52 . N sbm1 52 . HN parsed_1b4c 1
13 . . . . . . . . . . . . . . . . -9.3400 -9.5400 -9.1400 . . sbm1 53 . N sbm1 53 . HN parsed_1b4c 1
14 . . . . . . . . . . . . . . . . -10.3400 -10.5400 -10.1400 . . sbm1 57 . N sbm1 57 . HN parsed_1b4c 1
15 . . . . . . . . . . . . . . . . -11.7900 -11.9900 -11.5900 . . sbm1 58 . N sbm1 58 . HN parsed_1b4c 1
16 . . . . . . . . . . . . . . . . -5.4800 -5.6800 -5.2800 . . sbm1 60 . N sbm1 60 . HN parsed_1b4c 1
17 . . . . . . . . . . . . . . . . -11.32 -11.52 -11.12 . . sbm1 61 . N sbm1 61 . HN parsed_1b4c 1
18 . . . . . . . . . . . . . . . . -2.77 -2.97 -2.57 . . sbm1 64 . N sbm1 64 . HN parsed_1b4c 1
19 . . . . . . . . . . . . . . . . -9.80 -10.00 -9.60 . . sbm1 66 . N sbm1 66 . HN parsed_1b4c 1
20 . . . . . . . . . . . . . . . . 6.9000 6.7000 7.1000 . . sbm1 68 . N sbm1 68 . HN parsed_1b4c 1
21 . . . . . . . . . . . . . . . . -10.8800 -11.0800 -10.6800 . . sbm1 70 . N sbm1 70 . HN parsed_1b4c 1
22 . . . . . . . . . . . . . . . . -10.9800 -11.1800 -10.7800 . . sbm1 73 . N sbm1 73 . HN parsed_1b4c 1
23 . . . . . . . . . . . . . . . . -9.4900 -9.6900 -9.2900 . . sbm1 74 . N sbm1 74 . HN parsed_1b4c 1
24 . . . . . . . . . . . . . . . . -8.6200 -8.8200 -8.4200 . . sbm1 75 . N sbm1 75 . HN parsed_1b4c 1
25 . . . . . . . . . . . . . . . . -11.5700 -11.7700 -11.3700 . . sbm1 77 . N sbm1 77 . HN parsed_1b4c 1
26 . . . . . . . . . . . . . . . . -9.7900 -9.9900 -9.5900 . . sbm1 79 . N sbm1 79 . HN parsed_1b4c 1
27 . . . . . . . . . . . . . . . . -8.4400 -8.6400 -8.2400 . . sbm2 17 . N sbm2 17 . HN parsed_1b4c 1
28 . . . . . . . . . . . . . . . . 1.85 1.65 2.05 . . sbm2 19 . N sbm2 19 . HN parsed_1b4c 1
29 . . . . . . . . . . . . . . . . -6.77 -6.97 -6.57 . . sbm2 22 . N sbm2 22 . HN parsed_1b4c 1
30 . . . . . . . . . . . . . . . . 5.11 4.91 5.31 . . sbm2 23 . N sbm2 23 . HN parsed_1b4c 1
31 . . . . . . . . . . . . . . . . 9.11 8.91 9.31 . . sbm2 28 . N sbm2 28 . HN parsed_1b4c 1
32 . . . . . . . . . . . . . . . . 11.55 11.35 11.75 . . sbm2 29 . N sbm2 29 . HN parsed_1b4c 1
33 . . . . . . . . . . . . . . . . -0.1000 -0.3000 0.1000 . . sbm2 30 . N sbm2 30 . HN parsed_1b4c 1
34 . . . . . . . . . . . . . . . . 4.1800 3.9800 4.3800 . . sbm2 31 . N sbm2 31 . HN parsed_1b4c 1
35 . . . . . . . . . . . . . . . . 4.6200 4.4200 4.8200 . . sbm2 33 . N sbm2 33 . HN parsed_1b4c 1
36 . . . . . . . . . . . . . . . . -2.4100 -2.6100 -2.2100 . . sbm2 34 . N sbm2 34 . HN parsed_1b4c 1
37 . . . . . . . . . . . . . . . . 7.7700 7.5700 7.9700 . . sbm2 35 . N sbm2 35 . HN parsed_1b4c 1
38 . . . . . . . . . . . . . . . . 0.1800 -0.0200 0.3800 . . sbm2 52 . N sbm2 52 . HN parsed_1b4c 1
39 . . . . . . . . . . . . . . . . -9.3400 -9.5400 -9.1400 . . sbm2 53 . N sbm2 53 . HN parsed_1b4c 1
40 . . . . . . . . . . . . . . . . -10.3400 -10.5400 -10.1400 . . sbm2 57 . N sbm2 57 . HN parsed_1b4c 1
41 . . . . . . . . . . . . . . . . -11.7900 -11.9900 -11.5900 . . sbm2 58 . N sbm2 58 . HN parsed_1b4c 1
42 . . . . . . . . . . . . . . . . -5.4800 -5.6800 -5.2800 . . sbm2 60 . N sbm2 60 . HN parsed_1b4c 1
43 . . . . . . . . . . . . . . . . -11.32 -11.52 -11.12 . . sbm2 61 . N sbm2 61 . HN parsed_1b4c 1
44 . . . . . . . . . . . . . . . . -2.77 -2.97 -2.57 . . sbm2 64 . N sbm2 64 . HN parsed_1b4c 1
45 . . . . . . . . . . . . . . . . -9.80 -10.00 -9.60 . . sbm2 66 . N sbm2 66 . HN parsed_1b4c 1
46 . . . . . . . . . . . . . . . . 6.9000 6.7000 7.1000 . . sbm2 68 . N sbm2 68 . HN parsed_1b4c 1
47 . . . . . . . . . . . . . . . . -10.8800 -11.0800 -10.6800 . . sbm2 70 . N sbm2 70 . HN parsed_1b4c 1
48 . . . . . . . . . . . . . . . . -10.9800 -11.1800 -10.7800 . . sbm2 73 . N sbm2 73 . HN parsed_1b4c 1
49 . . . . . . . . . . . . . . . . -9.4900 -9.6900 -9.2900 . . sbm2 74 . N sbm2 74 . HN parsed_1b4c 1
50 . . . . . . . . . . . . . . . . -8.6200 -8.8200 -8.4200 . . sbm2 75 . N sbm2 75 . HN parsed_1b4c 1
51 . . . . . . . . . . . . . . . . -11.5700 -11.7700 -11.3700 . . sbm2 77 . N sbm2 77 . HN parsed_1b4c 1
52 . . . . . . . . . . . . . . . . -9.7900 -9.9900 -9.5900 . . sbm2 79 . N sbm2 79 . HN parsed_1b4c 1
53 . . . . . . . . . . . . . . . . -1.8400 -2.0400 -1.6400 . . sbm1 4 . N sbm1 4 . HN parsed_1b4c 1
54 . . . . . . . . . . . . . . . . -6.5500 -6.7500 -6.3500 . . sbm1 5 . N sbm1 5 . HN parsed_1b4c 1
55 . . . . . . . . . . . . . . . . -8.9000 -9.1000 -8.7000 . . sbm1 6 . N sbm1 6 . HN parsed_1b4c 1
56 . . . . . . . . . . . . . . . . -9.6900 -9.8900 -9.4900 . . sbm1 9 . N sbm1 9 . HN parsed_1b4c 1
57 . . . . . . . . . . . . . . . . -5.6000 -5.8000 -5.4000 . . sbm1 12 . N sbm1 12 . HN parsed_1b4c 1
58 . . . . . . . . . . . . . . . . -4.79 -4.99 -4.59 . . sbm1 26 . N sbm1 26 . HN parsed_1b4c 1
59 . . . . . . . . . . . . . . . . 9.30 9.10 9.50 . . sbm1 69 . N sbm1 69 . HN parsed_1b4c 1
60 . . . . . . . . . . . . . . . . -1.8400 -2.0400 -1.6400 . . sbm2 4 . N sbm2 4 . HN parsed_1b4c 1
61 . . . . . . . . . . . . . . . . -6.5500 -6.7500 -6.3500 . . sbm2 5 . N sbm2 5 . HN parsed_1b4c 1
62 . . . . . . . . . . . . . . . . -8.9000 -9.1000 -8.7000 . . sbm2 6 . N sbm2 6 . HN parsed_1b4c 1
63 . . . . . . . . . . . . . . . . -9.6900 -9.8900 -9.4900 . . sbm2 9 . N sbm2 9 . HN parsed_1b4c 1
64 . . . . . . . . . . . . . . . . -5.6000 -5.8000 -5.4000 . . sbm2 12 . N sbm2 12 . HN parsed_1b4c 1
65 . . . . . . . . . . . . . . . . -4.79 -4.99 -4.59 . . sbm2 26 . N sbm2 26 . HN parsed_1b4c 1
66 . . . . . . . . . . . . . . . . 9.30 9.10 9.50 . . sbm2 69 . N sbm2 69 . HN parsed_1b4c 1
67 . . . . . . . . . . . . . . . . -7.600 -7.800 -7.400 . . sbm1 3 . N sbm1 3 . HN parsed_1b4c 1
68 . . . . . . . . . . . . . . . . -7.000 -7.200 -6.800 . . sbm1 10 . N sbm1 10 . HN parsed_1b4c 1
69 . . . . . . . . . . . . . . . . -9.4300 -9.6300 -9.2300 . . sbm1 13 . N sbm1 13 . HN parsed_1b4c 1
70 . . . . . . . . . . . . . . . . -8.900 -9.100 -8.700 . . sbm1 20 . N sbm1 20 . HN parsed_1b4c 1
71 . . . . . . . . . . . . . . . . -4.7900 -4.9900 -4.5900 . . sbm1 26 . N sbm1 26 . HN parsed_1b4c 1
72 . . . . . . . . . . . . . . . . 2.1500 1.9500 2.3500 . . sbm1 27 . N sbm1 27 . HN parsed_1b4c 1
73 . . . . . . . . . . . . . . . . 11.9000 11.7000 12.1000 . . sbm1 36 . N sbm1 36 . HN parsed_1b4c 1
74 . . . . . . . . . . . . . . . . 13.5000 13.3000 13.7000 . . sbm1 39 . N sbm1 39 . HN parsed_1b4c 1
75 . . . . . . . . . . . . . . . . -8.8000 -9.0000 -8.6000 . . sbm1 42 . N sbm1 42 . HN parsed_1b4c 1
76 . . . . . . . . . . . . . . . . 1.700 1.500 1.900 . . sbm1 45 . N sbm1 45 . HN parsed_1b4c 1
77 . . . . . . . . . . . . . . . . -10.000 -10.200 -9.800 . . sbm1 46 . N sbm1 46 . HN parsed_1b4c 1
78 . . . . . . . . . . . . . . . . -1.4700 -1.6700 -1.2700 . . sbm1 48 . N sbm1 48 . HN parsed_1b4c 1
79 . . . . . . . . . . . . . . . . -10.3000 -10.5000 -10.1000 . . sbm1 50 . N sbm1 50 . HN parsed_1b4c 1
80 . . . . . . . . . . . . . . . . -12.2000 -12.4000 -12.0000 . . sbm1 51 . N sbm1 51 . HN parsed_1b4c 1
81 . . . . . . . . . . . . . . . . -3.5000 -3.7000 -3.3000 . . sbm1 56 . N sbm1 56 . HN parsed_1b4c 1
82 . . . . . . . . . . . . . . . . -4.1000 -4.3000 -3.9000 . . sbm1 59 . N sbm1 59 . HN parsed_1b4c 1
83 . . . . . . . . . . . . . . . . 5.6000 5.4000 5.8000 . . sbm1 63 . N sbm1 63 . HN parsed_1b4c 1
84 . . . . . . . . . . . . . . . . 10.060 9.860 10.260 . . sbm1 65 . N sbm1 65 . HN parsed_1b4c 1
85 . . . . . . . . . . . . . . . . 11.5000 11.3000 11.7000 . . sbm1 67 . N sbm1 67 . HN parsed_1b4c 1
86 . . . . . . . . . . . . . . . . 9.3000 9.1000 9.5000 . . sbm1 69 . N sbm1 69 . HN parsed_1b4c 1
87 . . . . . . . . . . . . . . . . -12.3300 -12.5300 -12.1300 . . sbm1 80 . N sbm1 80 . HN parsed_1b4c 1
88 . . . . . . . . . . . . . . . . -11.5000 -11.7000 -11.3000 . . sbm1 83 . N sbm1 83 . HN parsed_1b4c 1
89 . . . . . . . . . . . . . . . . -7.600 -7.800 -7.400 . . sbm2 3 . N sbm2 3 . HN parsed_1b4c 1
90 . . . . . . . . . . . . . . . . -7.000 -7.200 -6.800 . . sbm2 10 . N sbm2 10 . HN parsed_1b4c 1
91 . . . . . . . . . . . . . . . . -9.4300 -9.6300 -9.2300 . . sbm2 13 . N sbm2 13 . HN parsed_1b4c 1
92 . . . . . . . . . . . . . . . . -8.900 -9.100 -8.700 . . sbm2 20 . N sbm2 20 . HN parsed_1b4c 1
93 . . . . . . . . . . . . . . . . -4.7900 -4.9900 -4.5900 . . sbm2 26 . N sbm2 26 . HN parsed_1b4c 1
94 . . . . . . . . . . . . . . . . 2.1500 1.9500 2.3500 . . sbm2 27 . N sbm2 27 . HN parsed_1b4c 1
95 . . . . . . . . . . . . . . . . 11.9000 11.7000 12.1000 . . sbm2 36 . N sbm2 36 . HN parsed_1b4c 1
96 . . . . . . . . . . . . . . . . 13.500 13.300 13.700 . . sbm2 39 . N sbm2 39 . HN parsed_1b4c 1
97 . . . . . . . . . . . . . . . . -8.800 -9.000 -8.600 . . sbm2 42 . N sbm2 42 . HN parsed_1b4c 1
98 . . . . . . . . . . . . . . . . 1.700 1.500 1.900 . . sbm2 45 . N sbm2 45 . HN parsed_1b4c 1
99 . . . . . . . . . . . . . . . . -10.00 -10.20 -9.80 . . sbm2 46 . N sbm2 46 . HN parsed_1b4c 1
100 . . . . . . . . . . . . . . . . -1.470 -1.670 -1.270 . . sbm2 48 . N sbm2 48 . HN parsed_1b4c 1
101 . . . . . . . . . . . . . . . . -10.300 -10.500 -10.100 . . sbm2 50 . N sbm2 50 . HN parsed_1b4c 1
102 . . . . . . . . . . . . . . . . -12.200 -12.400 -12.000 . . sbm2 51 . N sbm2 51 . HN parsed_1b4c 1
103 . . . . . . . . . . . . . . . . -3.5000 -3.7000 -3.3000 . . sbm2 56 . N sbm2 56 . HN parsed_1b4c 1
104 . . . . . . . . . . . . . . . . -4.1000 -4.3000 -3.9000 . . sbm2 59 . N sbm2 59 . HN parsed_1b4c 1
105 . . . . . . . . . . . . . . . . 5.600 5.400 5.800 . . sbm2 63 . N sbm2 63 . HN parsed_1b4c 1
106 . . . . . . . . . . . . . . . . 10.060 9.860 10.260 . . sbm2 65 . N sbm2 65 . HN parsed_1b4c 1
107 . . . . . . . . . . . . . . . . 11.500 11.300 11.700 . . sbm2 67 . N sbm2 67 . HN parsed_1b4c 1
108 . . . . . . . . . . . . . . . . 9.3000 9.1000 9.5000 . . sbm2 69 . N sbm2 69 . HN parsed_1b4c 1
109 . . . . . . . . . . . . . . . . -12.330 -12.530 -12.130 . . sbm2 80 . N sbm2 80 . HN parsed_1b4c 1
110 . . . . . . . . . . . . . . . . -11.500 -11.700 -11.300 . . sbm2 83 . N sbm2 83 . HN parsed_1b4c 1
111 . . . . . . . . . . . . . . . . 3.7800 3.5800 3.9800 . . sbm1 8 . CA sbm1 8 . HA parsed_1b4c 1
112 . . . . . . . . . . . . . . . . -2.5700 -2.7700 -2.3700 . . sbm1 9 . CA sbm1 9 . HA parsed_1b4c 1
113 . . . . . . . . . . . . . . . . -3.4300 -3.6300 -3.2300 . . sbm1 14 . CA sbm1 14 . HA parsed_1b4c 1
114 . . . . . . . . . . . . . . . . -8.6600 -8.8600 -8.4600 . . sbm1 16 . CA sbm1 16 . HA parsed_1b4c 1
115 . . . . . . . . . . . . . . . . 28.4000 28.2000 28.6000 . . sbm1 19 . CA sbm1 19 . HA# parsed_1b4c 1
116 . . . . . . . . . . . . . . . . 20.25 20.05 20.45 . . sbm1 20 . CA sbm1 20 . HA parsed_1b4c 1
117 . . . . . . . . . . . . . . . . -14.87 -15.07 -14.67 . . sbm1 21 . CA sbm1 21 . HA parsed_1b4c 1
118 . . . . . . . . . . . . . . . . -1.16 -1.36 -0.96 . . sbm1 22 . CA sbm1 22 . HA# parsed_1b4c 1
119 . . . . . . . . . . . . . . . . -17.1800 -17.3800 -16.9800 . . sbm1 26 . CA sbm1 26 . HA parsed_1b4c 1
120 . . . . . . . . . . . . . . . . -4.6000 -4.8000 -4.4000 . . sbm1 27 . CA sbm1 27 . HA parsed_1b4c 1
121 . . . . . . . . . . . . . . . . 26.9200 26.7200 27.1200 . . sbm1 28 . CA sbm1 28 . HA parsed_1b4c 1
122 . . . . . . . . . . . . . . . . -4.05 -4.25 -3.85 . . sbm1 29 . CA sbm1 29 . HA parsed_1b4c 1
123 . . . . . . . . . . . . . . . . 7.7200 7.5200 7.9200 . . sbm1 31 . CA sbm1 31 . HA parsed_1b4c 1
124 . . . . . . . . . . . . . . . . 24.3800 24.1800 24.5800 . . sbm1 32 . CA sbm1 32 . HA parsed_1b4c 1
125 . . . . . . . . . . . . . . . . -22.2900 -22.4900 -22.0900 . . sbm1 33 . CA sbm1 33 . HA parsed_1b4c 1
126 . . . . . . . . . . . . . . . . -15.7200 -15.9200 -15.5200 . . sbm1 34 . CA sbm1 34 . HA parsed_1b4c 1
127 . . . . . . . . . . . . . . . . 31.2500 31.0500 31.4500 . . sbm1 35 . CA sbm1 35 . HA parsed_1b4c 1
128 . . . . . . . . . . . . . . . . -0.9600 -1.1600 -0.7600 . . sbm1 36 . CA sbm1 36 . HA parsed_1b4c 1
129 . . . . . . . . . . . . . . . . -5.4300 -5.6300 -5.2300 . . sbm1 38 . CA sbm1 38 . HA parsed_1b4c 1
130 . . . . . . . . . . . . . . . . 2.61 2.41 2.81 . . sbm1 48 . CA sbm1 48 . HA parsed_1b4c 1
131 . . . . . . . . . . . . . . . . -15.84 -16.04 -15.64 . . sbm1 49 . CA sbm1 49 . HA parsed_1b4c 1
132 . . . . . . . . . . . . . . . . 29.5700 29.3700 29.7700 . . sbm1 52 . CA sbm1 52 . HA parsed_1b4c 1
133 . . . . . . . . . . . . . . . . -15.4800 -15.6800 -15.2800 . . sbm1 53 . CA sbm1 53 . HA parsed_1b4c 1
134 . . . . . . . . . . . . . . . . 2.6100 2.4100 2.8100 . . sbm1 54 . CA sbm1 54 . HA parsed_1b4c 1
135 . . . . . . . . . . . . . . . . 11.5600 11.3600 11.7600 . . sbm1 55 . CA sbm1 55 . HA parsed_1b4c 1
136 . . . . . . . . . . . . . . . . 2.8300 2.6300 3.0300 . . sbm1 56 . CA sbm1 56 . HA parsed_1b4c 1
137 . . . . . . . . . . . . . . . . -9.2900 -9.4900 -9.0900 . . sbm1 57 . CA sbm1 57 . HA parsed_1b4c 1
138 . . . . . . . . . . . . . . . . -14.9300 -15.1300 -14.7300 . . sbm1 58 . CA sbm1 58 . HA parsed_1b4c 1
139 . . . . . . . . . . . . . . . . 31.5600 31.3600 31.7600 . . sbm1 59 . CA sbm1 59 . HA parsed_1b4c 1
140 . . . . . . . . . . . . . . . . -12.3400 -12.5400 -12.1400 . . sbm1 60 . CA sbm1 60 . HA parsed_1b4c 1
141 . . . . . . . . . . . . . . . . -6.71 -6.91 -6.51 . . sbm1 62 . CA sbm1 62 . HA parsed_1b4c 1
142 . . . . . . . . . . . . . . . . 4.67 4.47 4.87 . . sbm1 63 . CA sbm1 63 . HA parsed_1b4c 1
143 . . . . . . . . . . . . . . . . -6.54 -6.74 -6.34 . . sbm1 64 . CA sbm1 64 . HA# parsed_1b4c 1
144 . . . . . . . . . . . . . . . . 30.94 30.74 31.14 . . sbm1 65 . CA sbm1 65 . HA parsed_1b4c 1
145 . . . . . . . . . . . . . . . . -12.09 -12.29 -11.89 . . sbm1 66 . CA sbm1 66 . HA# parsed_1b4c 1
146 . . . . . . . . . . . . . . . . 3.3700 3.1700 3.5700 . . sbm1 70 . CA sbm1 70 . HA parsed_1b4c 1
147 . . . . . . . . . . . . . . . . 7.6900 7.4900 7.8900 . . sbm1 71 . CA sbm1 71 . HA parsed_1b4c 1
148 . . . . . . . . . . . . . . . . -8.3500 -8.5500 -8.1500 . . sbm1 72 . CA sbm1 72 . HA parsed_1b4c 1
149 . . . . . . . . . . . . . . . . -10.5200 -10.7200 -10.3200 . . sbm1 73 . CA sbm1 73 . HA parsed_1b4c 1
150 . . . . . . . . . . . . . . . . 25.3300 25.1300 25.5300 . . sbm1 74 . CA sbm1 74 . HA parsed_1b4c 1
151 . . . . . . . . . . . . . . . . -18.5400 -18.7400 -18.3400 . . sbm1 75 . CA sbm1 75 . HA parsed_1b4c 1
152 . . . . . . . . . . . . . . . . -15.5900 -15.7900 -15.3900 . . sbm1 79 . CA sbm1 79 . HA parsed_1b4c 1
153 . . . . . . . . . . . . . . . . -0.54 -0.74 -0.34 . . sbm1 80 . CA sbm1 80 . HA parsed_1b4c 1
154 . . . . . . . . . . . . . . . . -1.47 -1.67 -1.27 . . sbm1 88 . CA sbm1 88 . HA parsed_1b4c 1
155 . . . . . . . . . . . . . . . . 3.7800 3.5800 3.9800 . . sbm2 8 . CA sbm2 8 . HA parsed_1b4c 1
156 . . . . . . . . . . . . . . . . -2.5700 -2.7700 -2.3700 . . sbm2 9 . CA sbm2 9 . HA parsed_1b4c 1
157 . . . . . . . . . . . . . . . . -3.4300 -3.6300 -3.2300 . . sbm2 14 . CA sbm2 14 . HA parsed_1b4c 1
158 . . . . . . . . . . . . . . . . -8.6600 -8.8600 -8.4600 . . sbm2 16 . CA sbm2 16 . HA parsed_1b4c 1
159 . . . . . . . . . . . . . . . . 28.400 28.200 28.600 . . sbm2 19 . CA sbm2 19 . HA# parsed_1b4c 1
160 . . . . . . . . . . . . . . . . 20.2500 20.0500 20.4500 . . sbm2 20 . CA sbm2 20 . HA parsed_1b4c 1
161 . . . . . . . . . . . . . . . . -14.8700 -15.0700 -14.6700 . . sbm2 21 . CA sbm2 21 . HA parsed_1b4c 1
162 . . . . . . . . . . . . . . . . -1.1600 -1.3600 -0.9600 . . sbm2 22 . CA sbm2 22 . HA# parsed_1b4c 1
163 . . . . . . . . . . . . . . . . -17.1800 -17.3800 -16.9800 . . sbm2 26 . CA sbm2 26 . HA parsed_1b4c 1
164 . . . . . . . . . . . . . . . . -4.6000 -4.8000 -4.4000 . . sbm2 27 . CA sbm2 27 . HA parsed_1b4c 1
165 . . . . . . . . . . . . . . . . 26.9200 26.7200 27.1200 . . sbm2 28 . CA sbm2 28 . HA parsed_1b4c 1
166 . . . . . . . . . . . . . . . . -4.0500 -4.2500 -3.8500 . . sbm2 29 . CA sbm2 29 . HA parsed_1b4c 1
167 . . . . . . . . . . . . . . . . 7.7200 7.5200 7.9200 . . sbm2 31 . CA sbm2 31 . HA parsed_1b4c 1
168 . . . . . . . . . . . . . . . . 24.3800 24.1800 24.5800 . . sbm2 32 . CA sbm2 32 . HA parsed_1b4c 1
169 . . . . . . . . . . . . . . . . -22.2900 -22.4900 -22.0900 . . sbm2 33 . CA sbm2 33 . HA parsed_1b4c 1
170 . . . . . . . . . . . . . . . . -15.7200 -15.9200 -15.5200 . . sbm2 34 . CA sbm2 34 . HA parsed_1b4c 1
171 . . . . . . . . . . . . . . . . 31.2500 31.0500 31.4500 . . sbm2 35 . CA sbm2 35 . HA parsed_1b4c 1
172 . . . . . . . . . . . . . . . . -0.9600 -1.1600 -0.7600 . . sbm2 36 . CA sbm2 36 . HA parsed_1b4c 1
173 . . . . . . . . . . . . . . . . -5.4300 -5.6300 -5.2300 . . sbm2 38 . CA sbm2 38 . HA parsed_1b4c 1
174 . . . . . . . . . . . . . . . . 2.6100 2.4100 2.8100 . . sbm2 48 . CA sbm2 48 . HA parsed_1b4c 1
175 . . . . . . . . . . . . . . . . -15.8400 -16.0400 -15.6400 . . sbm2 49 . CA sbm2 49 . HA parsed_1b4c 1
176 . . . . . . . . . . . . . . . . 29.5700 29.3700 29.7700 . . sbm2 52 . CA sbm2 52 . HA parsed_1b4c 1
177 . . . . . . . . . . . . . . . . -15.4800 -15.6800 -15.2800 . . sbm2 53 . CA sbm2 53 . HA parsed_1b4c 1
178 . . . . . . . . . . . . . . . . 2.6100 2.4100 2.8100 . . sbm2 54 . CA sbm2 54 . HA parsed_1b4c 1
179 . . . . . . . . . . . . . . . . 11.5600 11.3600 11.7600 . . sbm2 55 . CA sbm2 55 . HA parsed_1b4c 1
180 . . . . . . . . . . . . . . . . 2.8300 2.6300 3.0300 . . sbm2 56 . CA sbm2 56 . HA parsed_1b4c 1
181 . . . . . . . . . . . . . . . . -9.2900 -9.4900 -9.0900 . . sbm2 57 . CA sbm2 57 . HA parsed_1b4c 1
182 . . . . . . . . . . . . . . . . -14.9300 -15.1300 -14.7300 . . sbm2 58 . CA sbm2 58 . HA parsed_1b4c 1
183 . . . . . . . . . . . . . . . . 31.5600 31.3600 31.7600 . . sbm2 59 . CA sbm2 59 . HA parsed_1b4c 1
184 . . . . . . . . . . . . . . . . -12.3400 -12.5400 -12.1400 . . sbm2 60 . CA sbm2 60 . HA parsed_1b4c 1
185 . . . . . . . . . . . . . . . . -6.7100 -6.9100 -6.5100 . . sbm2 62 . CA sbm2 62 . HA parsed_1b4c 1
186 . . . . . . . . . . . . . . . . 3.3700 3.1700 3.5700 . . sbm2 70 . CA sbm2 70 . HA parsed_1b4c 1
187 . . . . . . . . . . . . . . . . 7.6900 7.4900 7.8900 . . sbm2 71 . CA sbm2 71 . HA parsed_1b4c 1
188 . . . . . . . . . . . . . . . . -8.3500 -8.5500 -8.1500 . . sbm2 72 . CA sbm2 72 . HA parsed_1b4c 1
189 . . . . . . . . . . . . . . . . -10.5200 -10.7200 -10.3200 . . sbm2 73 . CA sbm2 73 . HA parsed_1b4c 1
190 . . . . . . . . . . . . . . . . 25.3300 25.1300 25.5300 . . sbm2 74 . CA sbm2 74 . HA parsed_1b4c 1
191 . . . . . . . . . . . . . . . . -18.5400 -18.7400 -18.3400 . . sbm2 75 . CA sbm2 75 . HA parsed_1b4c 1
192 . . . . . . . . . . . . . . . . -15.5900 -15.7900 -15.3900 . . sbm2 79 . CA sbm2 79 . HA parsed_1b4c 1
193 . . . . . . . . . . . . . . . . -0.5400 -0.7400 -0.3400 . . sbm2 80 . CA sbm2 80 . HA parsed_1b4c 1
194 . . . . . . . . . . . . . . . . -26.0000 -26.2000 -25.8000 . . sbm1 30 . CA sbm1 30 . HA parsed_1b4c 1
195 . . . . . . . . . . . . . . . . 22.1500 21.9500 22.3500 . . sbm1 41 . CA sbm1 41 . HA parsed_1b4c 1
196 . . . . . . . . . . . . . . . . 22.5300 22.3300 22.7300 . . sbm1 68 . CA sbm1 68 . HA parsed_1b4c 1
197 . . . . . . . . . . . . . . . . -0.0100 -0.2100 0.1900 . . sbm1 76 . CA sbm1 76 . HA parsed_1b4c 1
198 . . . . . . . . . . . . . . . . -26.0000 -26.2000 -25.8000 . . sbm2 30 . CA sbm2 30 . HA parsed_1b4c 1
199 . . . . . . . . . . . . . . . . 22.1500 21.9500 22.3500 . . sbm2 41 . CA sbm2 41 . HA parsed_1b4c 1
200 . . . . . . . . . . . . . . . . 22.5300 22.3300 22.7300 . . sbm2 68 . CA sbm2 68 . HA parsed_1b4c 1
201 . . . . . . . . . . . . . . . . -0.0100 -0.2100 0.1900 . . sbm2 76 . CA sbm2 76 . HA parsed_1b4c 1
202 . . . . . . . . . . . . . . . . 30.9700 30.7700 31.1700 . . sbm1 4 . CA sbm1 4 . HA parsed_1b4c 1
203 . . . . . . . . . . . . . . . . -23.7000 -23.9000 -23.5000 . . sbm1 5 . CA sbm1 5 . HA parsed_1b4c 1
204 . . . . . . . . . . . . . . . . 3.4700 3.2700 3.6700 . . sbm1 6 . CA sbm1 6 . HA parsed_1b4c 1
205 . . . . . . . . . . . . . . . . -16.32 -16.52 -16.12 . . sbm1 10 . CA sbm1 10 . HA parsed_1b4c 1
206 . . . . . . . . . . . . . . . . -16.32 -16.52 -16.12 . . sbm2 10 . CA sbm2 10 . HA parsed_1b4c 1
207 . . . . . . . . . . . . . . . . 32.7000 32.5000 32.9000 . . sbm1 11 . CA sbm1 11 . HA parsed_1b4c 1
208 . . . . . . . . . . . . . . . . -25.1000 -25.3000 -24.9000 . . sbm1 12 . CA sbm1 12 . HA parsed_1b4c 1
209 . . . . . . . . . . . . . . . . 4.7000 4.5000 4.9000 . . sbm1 13 . CA sbm1 13 . HA parsed_1b4c 1
210 . . . . . . . . . . . . . . . . -29.5100 -29.7100 -29.3100 . . sbm1 37 . CA sbm1 37 . HA parsed_1b4c 1
211 . . . . . . . . . . . . . . . . 15.2000 15.0000 15.4000 . . sbm1 67 . CA sbm1 67 . HA parsed_1b4c 1
212 . . . . . . . . . . . . . . . . 30.9700 30.7700 31.1700 . . sbm2 4 . CA sbm2 4 . HA parsed_1b4c 1
213 . . . . . . . . . . . . . . . . -23.7000 -23.9000 -23.5000 . . sbm2 5 . CA sbm2 5 . HA parsed_1b4c 1
214 . . . . . . . . . . . . . . . . 3.4700 3.2700 3.6700 . . sbm2 6 . CA sbm2 6 . HA parsed_1b4c 1
215 . . . . . . . . . . . . . . . . 32.7000 32.5000 32.9000 . . sbm2 11 . CA sbm2 11 . HA parsed_1b4c 1
216 . . . . . . . . . . . . . . . . -25.1000 -25.3000 -24.9000 . . sbm2 12 . CA sbm2 12 . HA parsed_1b4c 1
217 . . . . . . . . . . . . . . . . 4.7000 4.5000 4.9000 . . sbm2 13 . CA sbm2 13 . HA parsed_1b4c 1
218 . . . . . . . . . . . . . . . . -29.5100 -29.7100 -29.3100 . . sbm2 37 . CA sbm2 37 . HA parsed_1b4c 1
219 . . . . . . . . . . . . . . . . 15.2000 15.0000 15.4000 . . sbm2 67 . CA sbm2 67 . HA parsed_1b4c 1
220 . . . . . . . . . . . . . . . . 61.6900 11.6900 61.8900 . . sbm1 1 . CA sbm1 1 . HA parsed_1b4c 1
221 . . . . . . . . . . . . . . . . -55.62 -55.82 -5.62 . . sbm1 24 . CA sbm1 24 . HA parsed_1b4c 1
222 . . . . . . . . . . . . . . . . 65.63 15.63 65.83 . . sbm1 25 . CA sbm1 25 . HA parsed_1b4c 1
223 . . . . . . . . . . . . . . . . 55.50 5.50 55.70 . . sbm1 50 . CA sbm1 50 . HA parsed_1b4c 1
224 . . . . . . . . . . . . . . . . -63.27 -63.47 -13.27 . . sbm1 51 . CA sbm1 51 . HA parsed_1b4c 1
225 . . . . . . . . . . . . . . . . 50.7800 0.7800 50.9800 . . sbm1 89 . CA sbm1 89 . HA parsed_1b4c 1
226 . . . . . . . . . . . . . . . . 57.62 7.62 57.82 . . sbm1 90 . CA sbm1 90 . HA parsed_1b4c 1
227 . . . . . . . . . . . . . . . . 67.7 17.7 67.9 . . sbm2 1 . CA sbm2 1 . HA parsed_1b4c 1
228 . . . . . . . . . . . . . . . . -55.6200 -55.8200 -5.6200 . . sbm2 24 . CA sbm2 24 . HA parsed_1b4c 1
229 . . . . . . . . . . . . . . . . 65.6300 15.6300 65.8300 . . sbm2 25 . CA sbm2 25 . HA parsed_1b4c 1
230 . . . . . . . . . . . . . . . . 55.5000 5.5000 55.7000 . . sbm2 50 . CA sbm2 50 . HA parsed_1b4c 1
231 . . . . . . . . . . . . . . . . -63.2700 -63.4700 -13.2700 . . sbm2 51 . CA sbm2 51 . HA parsed_1b4c 1
232 . . . . . . . . . . . . . . . . -51.4700 -51.6700 -1.4700 . . sbm2 88 . CA sbm2 88 . HA parsed_1b4c 1
233 . . . . . . . . . . . . . . . . 57.6200 7.6200 57.8200 . . sbm2 90 . CA sbm2 90 . HA parsed_1b4c 1
234 . . . . . . . . . . . . . . . . 1.7300 1.5300 1.9300 . . sbm1 6 . C sbm1 6 . CA parsed_1b4c 1
235 . . . . . . . . . . . . . . . . 1.7300 1.5300 1.9300 . . sbm2 6 . C sbm2 6 . CA parsed_1b4c 1
236 . . . . . . . . . . . . . . . . 0.0500 -0.1500 0.2500 . . sbm1 15 . C sbm1 15 . CA parsed_1b4c 1
237 . . . . . . . . . . . . . . . . 0.0500 -0.1500 0.2500 . . sbm2 15 . C sbm2 15 . CA parsed_1b4c 1
238 . . . . . . . . . . . . . . . . 0.8200 0.6200 1.0200 . . sbm1 16 . C sbm1 16 . CA parsed_1b4c 1
239 . . . . . . . . . . . . . . . . 0.8200 0.6200 1.0200 . . sbm2 16 . C sbm2 16 . CA parsed_1b4c 1
240 . . . . . . . . . . . . . . . . -1.2000 -1.4000 -1.0000 . . sbm1 19 . C sbm1 19 . CA parsed_1b4c 1
241 . . . . . . . . . . . . . . . . -1.2000 -1.4000 -1.0000 . . sbm2 19 . C sbm2 19 . CA parsed_1b4c 1
242 . . . . . . . . . . . . . . . . -0.4900 -0.6900 -0.2900 . . sbm1 20 . C sbm1 20 . CA parsed_1b4c 1
243 . . . . . . . . . . . . . . . . -0.4900 -0.6900 -0.2900 . . sbm2 20 . C sbm2 20 . CA parsed_1b4c 1
244 . . . . . . . . . . . . . . . . 0.5300 0.3300 0.7300 . . sbm1 21 . C sbm1 21 . CA parsed_1b4c 1
245 . . . . . . . . . . . . . . . . 0.5300 0.3300 0.7300 . . sbm2 21 . C sbm2 21 . CA parsed_1b4c 1
246 . . . . . . . . . . . . . . . . -1.0500 -1.2500 -0.8500 . . sbm1 22 . C sbm1 22 . CA parsed_1b4c 1
247 . . . . . . . . . . . . . . . . -1.0500 -1.2500 -0.8500 . . sbm2 22 . C sbm2 22 . CA parsed_1b4c 1
248 . . . . . . . . . . . . . . . . -1.3400 -1.5400 -1.1400 . . sbm1 24 . C sbm1 24 . CA parsed_1b4c 1
249 . . . . . . . . . . . . . . . . -1.3400 -1.5400 -1.1400 . . sbm2 24 . C sbm2 24 . CA parsed_1b4c 1
250 . . . . . . . . . . . . . . . . 0.2300 0.0300 0.4300 . . sbm1 25 . C sbm1 25 . CA parsed_1b4c 1
251 . . . . . . . . . . . . . . . . 0.2300 0.0300 0.4300 . . sbm2 25 . C sbm2 25 . CA parsed_1b4c 1
252 . . . . . . . . . . . . . . . . -0.1700 -0.3700 0.0300 . . sbm1 26 . C sbm1 26 . CA parsed_1b4c 1
253 . . . . . . . . . . . . . . . . -0.1700 -0.3700 0.0300 . . sbm2 26 . C sbm2 26 . CA parsed_1b4c 1
254 . . . . . . . . . . . . . . . . 1.7200 1.5200 1.9200 . . sbm1 27 . C sbm1 27 . CA parsed_1b4c 1
255 . . . . . . . . . . . . . . . . 1.7200 1.5200 1.9200 . . sbm2 27 . C sbm2 27 . CA parsed_1b4c 1
256 . . . . . . . . . . . . . . . . -3.5500 -3.7500 -3.3500 . . sbm1 28 . C sbm1 28 . CA parsed_1b4c 1
257 . . . . . . . . . . . . . . . . -3.5500 -3.7500 -3.3500 . . sbm2 28 . C sbm2 28 . CA parsed_1b4c 1
258 . . . . . . . . . . . . . . . . 3.6300 3.4300 3.8300 . . sbm1 30 . C sbm1 30 . CA parsed_1b4c 1
259 . . . . . . . . . . . . . . . . 3.6300 3.4300 3.8300 . . sbm2 30 . C sbm2 30 . CA parsed_1b4c 1
260 . . . . . . . . . . . . . . . . -1.3400 -1.5400 -1.1400 . . sbm1 31 . C sbm1 31 . CA parsed_1b4c 1
261 . . . . . . . . . . . . . . . . -1.3400 -1.5400 -1.1400 . . sbm2 31 . C sbm2 31 . CA parsed_1b4c 1
262 . . . . . . . . . . . . . . . . -1.2200 -1.4200 -1.0200 . . sbm1 32 . C sbm1 32 . CA parsed_1b4c 1
263 . . . . . . . . . . . . . . . . -1.2200 -1.4200 -1.0200 . . sbm2 32 . C sbm2 32 . CA parsed_1b4c 1
264 . . . . . . . . . . . . . . . . 3.2500 3.0500 3.4500 . . sbm1 33 . C sbm1 33 . CA parsed_1b4c 1
265 . . . . . . . . . . . . . . . . 3.2500 3.0500 3.4500 . . sbm2 33 . C sbm2 33 . CA parsed_1b4c 1
266 . . . . . . . . . . . . . . . . 0.4000 0.2000 0.6000 . . sbm1 34 . C sbm1 34 . CA parsed_1b4c 1
267 . . . . . . . . . . . . . . . . 0.4000 0.2000 0.6000 . . sbm2 34 . C sbm2 34 . CA parsed_1b4c 1
268 . . . . . . . . . . . . . . . . 1.1100 0.9100 1.3100 . . sbm1 36 . C sbm1 36 . CA parsed_1b4c 1
269 . . . . . . . . . . . . . . . . 1.1100 0.9100 1.3100 . . sbm2 36 . C sbm2 36 . CA parsed_1b4c 1
270 . . . . . . . . . . . . . . . . 3.3000 3.1000 3.5000 . . sbm1 37 . C sbm1 37 . CA parsed_1b4c 1
271 . . . . . . . . . . . . . . . . 3.3000 3.1000 3.5000 . . sbm2 37 . C sbm2 37 . CA parsed_1b4c 1
272 . . . . . . . . . . . . . . . . -0.3400 -0.5400 -0.1400 . . sbm1 38 . C sbm1 38 . CA parsed_1b4c 1
273 . . . . . . . . . . . . . . . . -0.3400 -0.5400 -0.1400 . . sbm2 38 . C sbm2 38 . CA parsed_1b4c 1
274 . . . . . . . . . . . . . . . . -1.4700 -1.6700 -1.2700 . . sbm1 49 . C sbm1 49 . CA parsed_1b4c 1
275 . . . . . . . . . . . . . . . . -1.4700 -1.6700 -1.2700 . . sbm2 49 . C sbm2 49 . CA parsed_1b4c 1
276 . . . . . . . . . . . . . . . . 2.0400 1.8400 2.2400 . . sbm1 50 . C sbm1 50 . CA parsed_1b4c 1
277 . . . . . . . . . . . . . . . . 2.0400 1.8400 2.2400 . . sbm2 50 . C sbm2 50 . CA parsed_1b4c 1
278 . . . . . . . . . . . . . . . . -1.7600 -1.9600 -1.5600 . . sbm1 51 . C sbm1 51 . CA parsed_1b4c 1
279 . . . . . . . . . . . . . . . . -1.7600 -1.9600 -1.5600 . . sbm2 51 . C sbm2 51 . CA parsed_1b4c 1
280 . . . . . . . . . . . . . . . . -1.1900 -1.3900 -0.9900 . . sbm1 52 . C sbm1 52 . CA parsed_1b4c 1
281 . . . . . . . . . . . . . . . . -1.1900 -1.3900 -0.9900 . . sbm2 52 . C sbm2 52 . CA parsed_1b4c 1
282 . . . . . . . . . . . . . . . . 0.5800 0.3800 0.7800 . . sbm1 53 . C sbm1 53 . CA parsed_1b4c 1
283 . . . . . . . . . . . . . . . . 0.5800 0.3800 0.7800 . . sbm2 53 . C sbm2 53 . CA parsed_1b4c 1
284 . . . . . . . . . . . . . . . . 0.0400 -0.1600 0.2400 . . sbm1 54 . C sbm1 54 . CA parsed_1b4c 1
285 . . . . . . . . . . . . . . . . 0.0400 -0.1600 0.2400 . . sbm2 54 . C sbm2 54 . CA parsed_1b4c 1
286 . . . . . . . . . . . . . . . . -1.6600 -1.8600 -1.4600 . . sbm1 55 . C sbm1 55 . CA parsed_1b4c 1
287 . . . . . . . . . . . . . . . . -1.6600 -1.8600 -1.4600 . . sbm2 55 . C sbm2 55 . CA parsed_1b4c 1
288 . . . . . . . . . . . . . . . . -1.6100 -1.8100 -1.4100 . . sbm1 56 . C sbm1 56 . CA parsed_1b4c 1
289 . . . . . . . . . . . . . . . . -1.6100 -1.8100 -1.4100 . . sbm2 56 . C sbm2 56 . CA parsed_1b4c 1
290 . . . . . . . . . . . . . . . . 2.1100 1.9100 2.3100 . . sbm1 57 . C sbm1 57 . CA parsed_1b4c 1
291 . . . . . . . . . . . . . . . . 2.1100 1.9100 2.3100 . . sbm2 57 . C sbm2 57 . CA parsed_1b4c 1
292 . . . . . . . . . . . . . . . . -1.2000 -1.4000 -1.0000 . . sbm1 58 . C sbm1 58 . CA parsed_1b4c 1
293 . . . . . . . . . . . . . . . . -1.2000 -1.4000 -1.0000 . . sbm2 58 . C sbm2 58 . CA parsed_1b4c 1
294 . . . . . . . . . . . . . . . . -2.0600 -2.2600 -1.8600 . . sbm1 62 . C sbm1 62 . CA parsed_1b4c 1
295 . . . . . . . . . . . . . . . . -2.0600 -2.2600 -1.8600 . . sbm2 62 . C sbm2 62 . CA parsed_1b4c 1
296 . . . . . . . . . . . . . . . . 2.3100 2.1100 2.5100 . . sbm1 63 . C sbm1 63 . CA parsed_1b4c 1
297 . . . . . . . . . . . . . . . . 2.3100 2.1100 2.5100 . . sbm2 63 . C sbm2 63 . CA parsed_1b4c 1
298 . . . . . . . . . . . . . . . . -2.1400 -2.3400 -1.9400 . . sbm1 64 . C sbm1 64 . CA parsed_1b4c 1
299 . . . . . . . . . . . . . . . . -2.1400 -2.3400 -1.9400 . . sbm2 64 . C sbm2 64 . CA parsed_1b4c 1
300 . . . . . . . . . . . . . . . . -0.4600 -0.6600 -0.2600 . . sbm1 65 . C sbm1 65 . CA parsed_1b4c 1
301 . . . . . . . . . . . . . . . . -0.4600 -0.6600 -0.2600 . . sbm2 65 . C sbm2 65 . CA parsed_1b4c 1
302 . . . . . . . . . . . . . . . . 2.7800 2.5800 2.9800 . . sbm1 66 . C sbm1 66 . CA parsed_1b4c 1
303 . . . . . . . . . . . . . . . . 2.7800 2.5800 2.9800 . . sbm2 66 . C sbm2 66 . CA parsed_1b4c 1
304 . . . . . . . . . . . . . . . . -1.5600 -1.7600 -1.3600 . . sbm1 67 . C sbm1 67 . CA parsed_1b4c 1
305 . . . . . . . . . . . . . . . . -1.5600 -1.7600 -1.3600 . . sbm2 67 . C sbm2 67 . CA parsed_1b4c 1
306 . . . . . . . . . . . . . . . . -1.2300 -1.4300 -1.0300 . . sbm1 70 . C sbm1 70 . CA parsed_1b4c 1
307 . . . . . . . . . . . . . . . . -1.2300 -1.4300 -1.0300 . . sbm2 70 . C sbm2 70 . CA parsed_1b4c 1
308 . . . . . . . . . . . . . . . . -0.6600 -0.8600 -0.4600 . . sbm1 71 . C sbm1 71 . CA parsed_1b4c 1
309 . . . . . . . . . . . . . . . . -0.6600 -0.8600 -0.4600 . . sbm2 71 . C sbm2 71 . CA parsed_1b4c 1
310 . . . . . . . . . . . . . . . . 0.9900 0.7900 1.1900 . . sbm1 72 . C sbm1 72 . CA parsed_1b4c 1
311 . . . . . . . . . . . . . . . . 0.9900 0.7900 1.1900 . . sbm2 72 . C sbm2 72 . CA parsed_1b4c 1
312 . . . . . . . . . . . . . . . . -2.4100 -2.6100 -2.2100 . . sbm1 73 . C sbm1 73 . CA parsed_1b4c 1
313 . . . . . . . . . . . . . . . . -2.4100 -2.6100 -2.2100 . . sbm2 73 . C sbm2 73 . CA parsed_1b4c 1
314 . . . . . . . . . . . . . . . . -0.0100 -0.2100 0.1900 . . sbm1 74 . C sbm1 74 . CA parsed_1b4c 1
315 . . . . . . . . . . . . . . . . -0.0100 -0.2100 0.1900 . . sbm2 74 . C sbm2 74 . CA parsed_1b4c 1
316 . . . . . . . . . . . . . . . . -2.2000 -2.4000 -2.0000 . . sbm1 77 . C sbm1 77 . CA parsed_1b4c 1
317 . . . . . . . . . . . . . . . . -2.2000 -2.4000 -2.0000 . . sbm2 77 . C sbm2 77 . CA parsed_1b4c 1
318 . . . . . . . . . . . . . . . . -0.9000 -1.1000 -0.7000 . . sbm1 78 . C sbm1 78 . CA parsed_1b4c 1
319 . . . . . . . . . . . . . . . . -0.9000 -1.1000 -0.7000 . . sbm2 78 . C sbm2 78 . CA parsed_1b4c 1
320 . . . . . . . . . . . . . . . . 0.7700 0.5700 0.9700 . . sbm1 79 . C sbm1 79 . CA parsed_1b4c 1
321 . . . . . . . . . . . . . . . . 0.7700 0.5700 0.9700 . . sbm2 79 . C sbm2 79 . CA parsed_1b4c 1
322 . . . . . . . . . . . . . . . . 1.0800 0.8800 1.2800 . . sbm1 80 . C sbm1 80 . CA parsed_1b4c 1
323 . . . . . . . . . . . . . . . . 1.0800 0.8800 1.2800 . . sbm2 80 . C sbm2 80 . CA parsed_1b4c 1
324 . . . . . . . . . . . . . . . . -0.0700 -0.2700 0.1300 . . sbm1 4 . C sbm1 4 . CA parsed_1b4c 1
325 . . . . . . . . . . . . . . . . -0.0700 -0.2700 0.1300 . . sbm2 4 . C sbm2 4 . CA parsed_1b4c 1
326 . . . . . . . . . . . . . . . . 2.8100 2.6100 3.0100 . . sbm1 9 . C sbm1 9 . CA parsed_1b4c 1
327 . . . . . . . . . . . . . . . . 2.8100 2.6100 3.0100 . . sbm2 9 . C sbm2 9 . CA parsed_1b4c 1
328 . . . . . . . . . . . . . . . . 1.7600 1.5600 1.9600 . . sbm1 13 . C sbm1 13 . CA parsed_1b4c 1
329 . . . . . . . . . . . . . . . . 1.7600 1.5600 1.9600 . . sbm2 13 . C sbm2 13 . CA parsed_1b4c 1
330 . . . . . . . . . . . . . . . . -2.2400 -2.4400 -2.0400 . . sbm1 39 . C sbm1 39 . CA parsed_1b4c 1
331 . . . . . . . . . . . . . . . . -2.2400 -2.4400 -2.0400 . . sbm2 39 . C sbm2 39 . CA parsed_1b4c 1
332 . . . . . . . . . . . . . . . . -1.2700 -1.4700 -1.0700 . . sbm1 40 . C sbm1 40 . CA parsed_1b4c 1
333 . . . . . . . . . . . . . . . . -1.2700 -1.4700 -1.0700 . . sbm2 40 . C sbm2 40 . CA parsed_1b4c 1
334 . . . . . . . . . . . . . . . . -3.3400 -3.5400 -3.1400 . . sbm1 0 . C sbm1 0 . CA parsed_1b4c 1
335 . . . . . . . . . . . . . . . . -3.3400 -3.5400 -3.1400 . . sbm2 0 . C sbm2 0 . CA parsed_1b4c 1
336 . . . . . . . . . . . . . . . . -0.8700 -1.0700 -0.6700 . . sbm1 1 . C sbm1 1 . CA parsed_1b4c 1
337 . . . . . . . . . . . . . . . . -0.8700 -1.0700 -0.6700 . . sbm2 1 . C sbm2 1 . CA parsed_1b4c 1
338 . . . . . . . . . . . . . . . . 1.3200 1.1200 1.5200 . . sbm1 2 . C sbm1 2 . CA parsed_1b4c 1
339 . . . . . . . . . . . . . . . . 1.3200 1.1200 1.5200 . . sbm2 2 . C sbm2 2 . CA parsed_1b4c 1
340 . . . . . . . . . . . . . . . . -1.8100 -2.0100 -1.6100 . . sbm1 3 . C sbm1 3 . CA parsed_1b4c 1
341 . . . . . . . . . . . . . . . . -1.8100 -2.0100 -1.6100 . . sbm2 3 . C sbm2 3 . CA parsed_1b4c 1
342 . . . . . . . . . . . . . . . . 0.420 0.220 0.620 . . sbm1 5 . C sbm1 5 . CA parsed_1b4c 1
343 . . . . . . . . . . . . . . . . 0.420 0.220 0.620 . . sbm2 5 . C sbm2 5 . CA parsed_1b4c 1
344 . . . . . . . . . . . . . . . . -1.6200 -1.8200 -1.4200 . . sbm1 7 . C sbm1 7 . CA parsed_1b4c 1
345 . . . . . . . . . . . . . . . . -1.6200 -1.8200 -1.4200 . . sbm2 7 . C sbm2 7 . CA parsed_1b4c 1
346 . . . . . . . . . . . . . . . . -0.1900 -0.3900 0.0100 . . sbm1 12 . C sbm1 12 . CA parsed_1b4c 1
347 . . . . . . . . . . . . . . . . -0.1900 -0.3900 0.0100 . . sbm2 12 . C sbm2 12 . CA parsed_1b4c 1
348 . . . . . . . . . . . . . . . . -0.6800 -0.8800 -0.4800 . . sbm1 29 . C sbm1 29 . CA parsed_1b4c 1
349 . . . . . . . . . . . . . . . . -0.6800 -0.8800 -0.4800 . . sbm2 29 . C sbm2 29 . CA parsed_1b4c 1
350 . . . . . . . . . . . . . . . . -2.1400 -2.3400 -1.9400 . . sbm1 35 . C sbm1 35 . CA parsed_1b4c 1
351 . . . . . . . . . . . . . . . . -2.1400 -2.3400 -1.9400 . . sbm2 35 . C sbm2 35 . CA parsed_1b4c 1
352 . . . . . . . . . . . . . . . . -1.4100 -1.6100 -1.2100 . . sbm1 41 . C sbm1 41 . CA parsed_1b4c 1
353 . . . . . . . . . . . . . . . . -1.4100 -1.6100 -1.2100 . . sbm2 41 . C sbm2 41 . CA parsed_1b4c 1
354 . . . . . . . . . . . . . . . . -1.4900 -1.6900 -1.2900 . . sbm1 43 . C sbm1 43 . CA parsed_1b4c 1
355 . . . . . . . . . . . . . . . . -1.4900 -1.6900 -1.2900 . . sbm2 43 . C sbm2 43 . CA parsed_1b4c 1
356 . . . . . . . . . . . . . . . . -1.1500 -1.3500 -0.9500 . . sbm1 45 . C sbm1 45 . CA parsed_1b4c 1
357 . . . . . . . . . . . . . . . . -1.1500 -1.3500 -0.9500 . . sbm2 45 . C sbm2 45 . CA parsed_1b4c 1
358 . . . . . . . . . . . . . . . . -1.2300 -1.4300 -1.0300 . . sbm1 59 . C sbm1 59 . CA parsed_1b4c 1
359 . . . . . . . . . . . . . . . . -1.2300 -1.4300 -1.0300 . . sbm2 59 . C sbm2 59 . CA parsed_1b4c 1
360 . . . . . . . . . . . . . . . . -1.2400 -1.4400 -1.0400 . . sbm1 60 . C sbm1 60 . CA parsed_1b4c 1
361 . . . . . . . . . . . . . . . . -1.2400 -1.4400 -1.0400 . . sbm2 60 . C sbm2 60 . CA parsed_1b4c 1
362 . . . . . . . . . . . . . . . . -1.6100 -1.8100 -1.4100 . . sbm1 75 . C sbm1 75 . CA parsed_1b4c 1
363 . . . . . . . . . . . . . . . . -1.6100 -1.8100 -1.4100 . . sbm2 75 . C sbm2 75 . CA parsed_1b4c 1
364 . . . . . . . . . . . . . . . . 0.2600 0.0600 0.4600 . . sbm1 88 . C sbm1 88 . CA parsed_1b4c 1
365 . . . . . . . . . . . . . . . . 0.2600 0.0600 0.4600 . . sbm2 88 . C sbm2 88 . CA parsed_1b4c 1
366 . . . . . . . . . . . . . . . . -0.3900 -0.5900 -0.1900 . . sbm1 89 . C sbm1 89 . CA parsed_1b4c 1
367 . . . . . . . . . . . . . . . . -0.3900 -0.5900 -0.1900 . . sbm2 89 . C sbm2 89 . CA parsed_1b4c 1
368 . . . . . . . . . . . . . . . . -0.7900 -0.9900 -0.5900 . . sbm1 90 . C sbm1 90 . CA parsed_1b4c 1
369 . . . . . . . . . . . . . . . . -0.7900 -0.9900 -0.5900 . . sbm2 90 . C sbm2 90 . CA parsed_1b4c 1
370 . . . . . . . . . . . . . . . . -0.0300 -0.2300 0.1700 . . sbm1 16 . C sbm1 17 . HN parsed_1b4c 1
371 . . . . . . . . . . . . . . . . 3.0800 2.8800 3.2800 . . sbm1 18 . C sbm1 19 . HN parsed_1b4c 1
372 . . . . . . . . . . . . . . . . -3.8900 -4.0900 -3.6900 . . sbm1 21 . C sbm1 22 . HN parsed_1b4c 1
373 . . . . . . . . . . . . . . . . -1.9000 -2.1000 -1.7000 . . sbm1 25 . C sbm1 26 . HN parsed_1b4c 1
374 . . . . . . . . . . . . . . . . 4.8600 4.6600 5.0600 . . sbm1 28 . C sbm1 29 . HN parsed_1b4c 1
375 . . . . . . . . . . . . . . . . -2.1000 -2.3000 -1.9000 . . sbm1 30 . C sbm1 31 . HN parsed_1b4c 1
376 . . . . . . . . . . . . . . . . -2.5900 -2.7900 -2.3900 . . sbm1 33 . C sbm1 34 . HN parsed_1b4c 1
377 . . . . . . . . . . . . . . . . 0.7800 0.5800 0.9800 . . sbm1 34 . C sbm1 35 . HN parsed_1b4c 1
378 . . . . . . . . . . . . . . . . 1.1000 0.9000 1.3000 . . sbm1 51 . C sbm1 52 . HN parsed_1b4c 1
379 . . . . . . . . . . . . . . . . 1.7500 1.5500 1.9500 . . sbm1 52 . C sbm1 53 . HN parsed_1b4c 1
380 . . . . . . . . . . . . . . . . 3.6700 3.4700 3.8700 . . sbm1 55 . C sbm1 56 . HN parsed_1b4c 1
381 . . . . . . . . . . . . . . . . -1.6200 -1.8200 -1.4200 . . sbm1 57 . C sbm1 58 . HN parsed_1b4c 1
382 . . . . . . . . . . . . . . . . 3.1800 2.9800 3.3800 . . sbm1 59 . C sbm1 60 . HN parsed_1b4c 1
383 . . . . . . . . . . . . . . . . -2.6100 -2.8100 -2.4100 . . sbm1 60 . C sbm1 61 . HN parsed_1b4c 1
384 . . . . . . . . . . . . . . . . -0.4800 -0.6800 -0.2800 . . sbm1 63 . C sbm1 64 . HN parsed_1b4c 1
385 . . . . . . . . . . . . . . . . 4.35000 4.15000 4.55000 . . sbm1 67 . C sbm1 68 . HN parsed_1b4c 1
386 . . . . . . . . . . . . . . . . -0.9000 -1.1000 -0.7000 . . sbm1 69 . C sbm1 70 . HN parsed_1b4c 1
387 . . . . . . . . . . . . . . . . -1.0700 -1.2700 -0.8700 . . sbm1 72 . C sbm1 73 . HN parsed_1b4c 1
388 . . . . . . . . . . . . . . . . -1.8500 -2.0500 -1.6500 . . sbm1 73 . C sbm1 74 . HN parsed_1b4c 1
389 . . . . . . . . . . . . . . . . 1.6500 1.4500 1.8500 . . sbm1 74 . C sbm1 75 . HN parsed_1b4c 1
390 . . . . . . . . . . . . . . . . -0.0300 -0.2300 0.1700 . . sbm2 16 . C sbm2 17 . HN parsed_1b4c 1
391 . . . . . . . . . . . . . . . . 3.0800 2.8800 3.2800 . . sbm2 18 . C sbm2 19 . HN parsed_1b4c 1
392 . . . . . . . . . . . . . . . . -3.8900 -4.0900 -3.6900 . . sbm2 21 . C sbm2 22 . HN parsed_1b4c 1
393 . . . . . . . . . . . . . . . . -1.9000 -2.1000 -1.7000 . . sbm2 25 . C sbm2 26 . HN parsed_1b4c 1
394 . . . . . . . . . . . . . . . . 4.8600 4.6600 5.0600 . . sbm2 28 . C sbm2 29 . HN parsed_1b4c 1
395 . . . . . . . . . . . . . . . . -2.1000 -2.3000 -1.9000 . . sbm2 30 . C sbm2 31 . HN parsed_1b4c 1
396 . . . . . . . . . . . . . . . . -2.5900 -2.7900 -2.3900 . . sbm2 33 . C sbm2 34 . HN parsed_1b4c 1
397 . . . . . . . . . . . . . . . . 0.7800 0.5800 0.9800 . . sbm2 34 . C sbm2 35 . HN parsed_1b4c 1
398 . . . . . . . . . . . . . . . . 1.1000 0.9000 1.3000 . . sbm2 51 . C sbm2 52 . HN parsed_1b4c 1
399 . . . . . . . . . . . . . . . . 1.7500 1.5500 1.9500 . . sbm2 52 . C sbm2 53 . HN parsed_1b4c 1
400 . . . . . . . . . . . . . . . . 3.6700 3.4700 3.8700 . . sbm2 55 . C sbm2 56 . HN parsed_1b4c 1
401 . . . . . . . . . . . . . . . . -1.6200 -1.8200 -1.4200 . . sbm2 57 . C sbm2 58 . HN parsed_1b4c 1
402 . . . . . . . . . . . . . . . . 3.1800 2.9800 3.3800 . . sbm2 59 . C sbm2 60 . HN parsed_1b4c 1
403 . . . . . . . . . . . . . . . . -2.6100 -2.8100 -2.4100 . . sbm2 60 . C sbm2 61 . HN parsed_1b4c 1
404 . . . . . . . . . . . . . . . . -0.4800 -0.6800 -0.2800 . . sbm2 63 . C sbm2 64 . HN parsed_1b4c 1
405 . . . . . . . . . . . . . . . . 4.35000 4.15000 4.55000 . . sbm2 67 . C sbm2 68 . HN parsed_1b4c 1
406 . . . . . . . . . . . . . . . . -0.9000 -1.1000 -0.7000 . . sbm2 69 . C sbm2 70 . HN parsed_1b4c 1
407 . . . . . . . . . . . . . . . . -1.0700 -1.2700 -0.8700 . . sbm2 72 . C sbm2 73 . HN parsed_1b4c 1
408 . . . . . . . . . . . . . . . . -1.8500 -2.0500 -1.6500 . . sbm2 73 . C sbm2 74 . HN parsed_1b4c 1
409 . . . . . . . . . . . . . . . . 1.6500 1.4500 1.8500 . . sbm2 74 . C sbm2 75 . HN parsed_1b4c 1
410 . . . . . . . . . . . . . . . . -3.8100 -4.0100 -3.6100 . . sbm1 8 . C sbm1 9 . HN parsed_1b4c 1
411 . . . . . . . . . . . . . . . . -2.1000 -2.3000 -1.9000 . . sbm1 9 . C sbm1 10 . HN parsed_1b4c 1
412 . . . . . . . . . . . . . . . . -2.8800 -3.0800 -2.6800 . . sbm1 29 . C sbm1 30 . HN parsed_1b4c 1
413 . . . . . . . . . . . . . . . . 4.4000 4.2000 4.6000 . . sbm1 35 . C sbm1 36 . HN parsed_1b4c 1
414 . . . . . . . . . . . . . . . . -2.3600 -2.5600 -2.1600 . . sbm1 76 . C sbm1 77 . HN parsed_1b4c 1
415 . . . . . . . . . . . . . . . . -3.8100 -4.0100 -3.6100 . . sbm2 8 . C sbm2 9 . HN parsed_1b4c 1
416 . . . . . . . . . . . . . . . . -2.1000 -2.3000 -1.9000 . . sbm2 9 . C sbm2 10 . HN parsed_1b4c 1
417 . . . . . . . . . . . . . . . . -2.8800 -3.0800 -2.6800 . . sbm2 29 . C sbm2 30 . HN parsed_1b4c 1
418 . . . . . . . . . . . . . . . . 4.4000 4.2000 4.6000 . . sbm2 35 . C sbm2 36 . HN parsed_1b4c 1
419 . . . . . . . . . . . . . . . . -2.3600 -2.5600 -2.1600 . . sbm2 76 . C sbm2 77 . HN parsed_1b4c 1
420 . . . . . . . . . . . . . . . . -0.2500 -0.4500 -0.0500 . . sbm1 3 . C sbm1 4 . N parsed_1b4c 1
421 . . . . . . . . . . . . . . . . 1.2100 1.0100 1.4100 . . sbm1 4 . C sbm1 5 . N parsed_1b4c 1
422 . . . . . . . . . . . . . . . . -2.2800 -2.4800 -2.0800 . . sbm1 8 . C sbm1 9 . N parsed_1b4c 1
423 . . . . . . . . . . . . . . . . 0.8700 0.6700 1.0700 . . sbm1 9 . C sbm1 10 . N parsed_1b4c 1
424 . . . . . . . . . . . . . . . . -1.0700 -1.2700 -0.8700 . . sbm1 12 . C sbm1 13 . N parsed_1b4c 1
425 . . . . . . . . . . . . . . . . 0.2700 0.0700 0.4700 . . sbm1 13 . C sbm1 14 . N parsed_1b4c 1
426 . . . . . . . . . . . . . . . . -1.0100 -1.2100 -0.8100 . . sbm1 27 . C sbm1 28 . N parsed_1b4c 1
427 . . . . . . . . . . . . . . . . -1.8400 -2.0400 -1.6400 . . sbm1 29 . C sbm1 30 . N parsed_1b4c 1
428 . . . . . . . . . . . . . . . . -0.5200 -0.7200 -0.3200 . . sbm1 32 . C sbm1 33 . N parsed_1b4c 1
429 . . . . . . . . . . . . . . . . 0.9100 0.7100 1.1100 . . sbm1 35 . C sbm1 36 . N parsed_1b4c 1
430 . . . . . . . . . . . . . . . . -0.14000 -0.34000 0.06000 . . sbm1 41 . C sbm1 42 . N parsed_1b4c 1
431 . . . . . . . . . . . . . . . . 0.3600 0.1600 0.5600 . . sbm1 76 . C sbm1 77 . N parsed_1b4c 1
432 . . . . . . . . . . . . . . . . 0.7900 0.5900 0.9900 . . sbm1 78 . C sbm1 79 . N parsed_1b4c 1
433 . . . . . . . . . . . . . . . . -0.5700 -0.7700 -0.3700 . . sbm1 79 . C sbm1 80 . N parsed_1b4c 1
434 . . . . . . . . . . . . . . . . -0.2500 -0.4500 -0.0500 . . sbm2 3 . C sbm2 4 . N parsed_1b4c 1
435 . . . . . . . . . . . . . . . . 1.2100 1.0100 1.4100 . . sbm2 4 . C sbm2 5 . N parsed_1b4c 1
436 . . . . . . . . . . . . . . . . -2.2800 -2.4800 -2.0800 . . sbm2 8 . C sbm2 9 . N parsed_1b4c 1
437 . . . . . . . . . . . . . . . . 0.8700 0.6700 1.0700 . . sbm2 9 . C sbm2 10 . N parsed_1b4c 1
438 . . . . . . . . . . . . . . . . -1.0700 -1.2700 -0.8700 . . sbm2 12 . C sbm2 13 . N parsed_1b4c 1
439 . . . . . . . . . . . . . . . . 0.2700 0.0700 0.4700 . . sbm2 13 . C sbm2 14 . N parsed_1b4c 1
440 . . . . . . . . . . . . . . . . -1.0100 -1.2100 -0.8100 . . sbm2 27 . C sbm2 28 . N parsed_1b4c 1
441 . . . . . . . . . . . . . . . . -1.8400 -2.0400 -1.6400 . . sbm2 29 . C sbm2 30 . N parsed_1b4c 1
442 . . . . . . . . . . . . . . . . -0.5200 -0.7200 -0.3200 . . sbm2 32 . C sbm2 33 . N parsed_1b4c 1
443 . . . . . . . . . . . . . . . . 0.9100 0.7100 1.1100 . . sbm2 35 . C sbm2 36 . N parsed_1b4c 1
444 . . . . . . . . . . . . . . . . -0.14000 -0.34000 0.06000 . . sbm2 41 . C sbm2 42 . N parsed_1b4c 1
445 . . . . . . . . . . . . . . . . 0.3600 0.1600 0.5600 . . sbm2 76 . C sbm2 77 . N parsed_1b4c 1
446 . . . . . . . . . . . . . . . . 0.7900 0.5900 0.9900 . . sbm2 78 . C sbm2 79 . N parsed_1b4c 1
447 . . . . . . . . . . . . . . . . -0.5700 -0.7700 -0.3700 . . sbm2 79 . C sbm2 80 . N parsed_1b4c 1
448 . . . . . . . . . . . . . . . . -1.3800 -1.5800 -1.1800 . . sbm1 1 . C sbm1 2 . N parsed_1b4c 1
449 . . . . . . . . . . . . . . . . 1.0400 0.8400 1.2400 . . sbm1 16 . C sbm1 17 . N parsed_1b4c 1
450 . . . . . . . . . . . . . . . . 1.4700 1.2700 1.6700 . . sbm1 18 . C sbm1 19 . N parsed_1b4c 1
451 . . . . . . . . . . . . . . . . -0.4900 -0.6900 -0.2900 . . sbm1 21 . C sbm1 22 . N parsed_1b4c 1
452 . . . . . . . . . . . . . . . . -0.7500 -0.9500 -0.5500 . . sbm1 25 . C sbm1 26 . N parsed_1b4c 1
453 . . . . . . . . . . . . . . . . 0.800 0.600 1.000 . . sbm1 28 . C sbm1 29 . N parsed_1b4c 1
454 . . . . . . . . . . . . . . . . -0.7100 -0.9100 -0.5100 . . sbm1 30 . C sbm1 31 . N parsed_1b4c 1
455 . . . . . . . . . . . . . . . . -1.0100 -1.2100 -0.8100 . . sbm1 33 . C sbm1 34 . N parsed_1b4c 1
456 . . . . . . . . . . . . . . . . -0.5900 -0.7900 -0.3900 . . sbm1 34 . C sbm1 35 . N parsed_1b4c 1
457 . . . . . . . . . . . . . . . . 0.3900 0.1900 0.5900 . . sbm1 51 . C sbm1 52 . N parsed_1b4c 1
458 . . . . . . . . . . . . . . . . 0.8200 0.6200 1.0200 . . sbm1 52 . C sbm1 53 . N parsed_1b4c 1
459 . . . . . . . . . . . . . . . . 1.3600 1.1600 1.5600 . . sbm1 55 . C sbm1 56 . N parsed_1b4c 1
460 . . . . . . . . . . . . . . . . -1.0700 -1.2700 -0.8700 . . sbm1 56 . C sbm1 57 . N parsed_1b4c 1
461 . . . . . . . . . . . . . . . . 0.4100 0.2100 0.6100 . . sbm1 57 . C sbm1 58 . N parsed_1b4c 1
462 . . . . . . . . . . . . . . . . 2.1300 1.9300 2.3300 . . sbm1 59 . C sbm1 60 . N parsed_1b4c 1
463 . . . . . . . . . . . . . . . . -0.7300 -0.9300 -0.5300 . . sbm1 60 . C sbm1 61 . N parsed_1b4c 1
464 . . . . . . . . . . . . . . . . -0.2900 -0.4900 -0.0900 . . sbm1 63 . C sbm1 64 . N parsed_1b4c 1
465 . . . . . . . . . . . . . . . . 0.5000 0.3000 0.7000 . . sbm1 67 . C sbm1 68 . N parsed_1b4c 1
466 . . . . . . . . . . . . . . . . 0.3500 0.1500 0.5500 . . sbm1 69 . C sbm1 70 . N parsed_1b4c 1
467 . . . . . . . . . . . . . . . . 0.71000 0.51000 0.91000 . . sbm1 72 . C sbm1 73 . N parsed_1b4c 1
468 . . . . . . . . . . . . . . . . -0.9500 -1.1500 -0.7500 . . sbm1 73 . C sbm1 74 . N parsed_1b4c 1
469 . . . . . . . . . . . . . . . . 2.2200 2.0200 2.4200 . . sbm1 74 . C sbm1 75 . N parsed_1b4c 1
470 . . . . . . . . . . . . . . . . 0.2800 0.0800 0.4800 . . sbm1 88 . C sbm1 89 . N parsed_1b4c 1
471 . . . . . . . . . . . . . . . . -1.3800 -1.5800 -1.1800 . . sbm2 1 . C sbm2 2 . N parsed_1b4c 1
472 . . . . . . . . . . . . . . . . 1.0400 0.8400 1.2400 . . sbm2 16 . C sbm2 17 . N parsed_1b4c 1
473 . . . . . . . . . . . . . . . . 1.4700 1.2700 1.6700 . . sbm2 18 . C sbm2 19 . N parsed_1b4c 1
474 . . . . . . . . . . . . . . . . -0.4900 -0.6900 -0.2900 . . sbm2 21 . C sbm2 22 . N parsed_1b4c 1
475 . . . . . . . . . . . . . . . . -0.7500 -0.9500 -0.5500 . . sbm2 25 . C sbm2 26 . N parsed_1b4c 1
476 . . . . . . . . . . . . . . . . 0.800 0.600 1.000 . . sbm2 28 . C sbm2 29 . N parsed_1b4c 1
477 . . . . . . . . . . . . . . . . -0.7100 -0.9100 -0.5100 . . sbm2 30 . C sbm2 31 . N parsed_1b4c 1
478 . . . . . . . . . . . . . . . . -1.0100 -1.2100 -0.8100 . . sbm2 33 . C sbm2 34 . N parsed_1b4c 1
479 . . . . . . . . . . . . . . . . -0.5900 -0.7900 -0.3900 . . sbm2 34 . C sbm2 35 . N parsed_1b4c 1
480 . . . . . . . . . . . . . . . . 0.3900 0.1900 0.5900 . . sbm2 51 . C sbm2 52 . N parsed_1b4c 1
481 . . . . . . . . . . . . . . . . 0.8200 0.6200 1.0200 . . sbm2 52 . C sbm2 53 . N parsed_1b4c 1
482 . . . . . . . . . . . . . . . . 1.3600 1.1600 1.5600 . . sbm2 55 . C sbm2 56 . N parsed_1b4c 1
483 . . . . . . . . . . . . . . . . -1.0700 -1.2700 -0.8700 . . sbm2 56 . C sbm2 57 . N parsed_1b4c 1
484 . . . . . . . . . . . . . . . . 0.4100 0.2100 0.6100 . . sbm2 57 . C sbm2 58 . N parsed_1b4c 1
485 . . . . . . . . . . . . . . . . 2.1300 1.9300 2.3300 . . sbm2 59 . C sbm2 60 . N parsed_1b4c 1
486 . . . . . . . . . . . . . . . . -0.7300 -0.9300 -0.5300 . . sbm2 60 . C sbm2 61 . N parsed_1b4c 1
487 . . . . . . . . . . . . . . . . -0.2900 -0.4900 -0.0900 . . sbm2 63 . C sbm2 64 . N parsed_1b4c 1
488 . . . . . . . . . . . . . . . . 0.5000 0.3000 0.7000 . . sbm2 67 . C sbm2 68 . N parsed_1b4c 1
489 . . . . . . . . . . . . . . . . 0.3500 0.1500 0.5500 . . sbm2 69 . C sbm2 70 . N parsed_1b4c 1
490 . . . . . . . . . . . . . . . . 0.71000 0.51000 0.91000 . . sbm2 72 . C sbm2 73 . N parsed_1b4c 1
491 . . . . . . . . . . . . . . . . -0.9500 -1.1500 -0.7500 . . sbm2 73 . C sbm2 74 . N parsed_1b4c 1
492 . . . . . . . . . . . . . . . . 2.2200 2.0200 2.4200 . . sbm2 74 . C sbm2 75 . N parsed_1b4c 1
493 . . . . . . . . . . . . . . . . 0.2800 0.0800 0.4800 . . sbm2 88 . C sbm2 89 . N parsed_1b4c 1
494 . . . . . . . . . . . . . . . . -0.2500 -0.4500 -0.0500 . . sbm1 3 . C sbm1 4 . N parsed_1b4c 1
495 . . . . . . . . . . . . . . . . 1.2100 1.0100 1.4100 . . sbm1 4 . C sbm1 5 . N parsed_1b4c 1
496 . . . . . . . . . . . . . . . . -2.2800 -2.4800 -2.0800 . . sbm1 8 . C sbm1 9 . N parsed_1b4c 1
497 . . . . . . . . . . . . . . . . 0.8700 0.6700 1.0700 . . sbm1 9 . C sbm1 10 . N parsed_1b4c 1
498 . . . . . . . . . . . . . . . . -1.0700 -1.2700 -0.8700 . . sbm1 12 . C sbm1 13 . N parsed_1b4c 1
499 . . . . . . . . . . . . . . . . 0.2700 0.0700 0.4700 . . sbm1 13 . C sbm1 14 . N parsed_1b4c 1
500 . . . . . . . . . . . . . . . . -1.0100 -1.2100 -0.8100 . . sbm1 27 . C sbm1 28 . N parsed_1b4c 1
501 . . . . . . . . . . . . . . . . -1.8400 -2.0400 -1.6400 . . sbm1 29 . C sbm1 30 . N parsed_1b4c 1
502 . . . . . . . . . . . . . . . . -0.5200 -0.7200 -0.3200 . . sbm1 32 . C sbm1 33 . N parsed_1b4c 1
503 . . . . . . . . . . . . . . . . 0.9100 0.7100 1.1100 . . sbm1 35 . C sbm1 36 . N parsed_1b4c 1
504 . . . . . . . . . . . . . . . . -0.14000 -0.34000 0.06000 . . sbm1 41 . C sbm1 42 . N parsed_1b4c 1
505 . . . . . . . . . . . . . . . . 0.3600 0.1600 0.5600 . . sbm1 76 . C sbm1 77 . N parsed_1b4c 1
506 . . . . . . . . . . . . . . . . 0.7900 0.5900 0.9900 . . sbm1 78 . C sbm1 79 . N parsed_1b4c 1
507 . . . . . . . . . . . . . . . . -0.5700 -0.7700 -0.3700 . . sbm1 79 . C sbm1 80 . N parsed_1b4c 1
508 . . . . . . . . . . . . . . . . -0.2500 -0.4500 -0.0500 . . sbm2 3 . C sbm2 4 . N parsed_1b4c 1
509 . . . . . . . . . . . . . . . . 1.2100 1.0100 1.4100 . . sbm2 4 . C sbm2 5 . N parsed_1b4c 1
510 . . . . . . . . . . . . . . . . -2.2800 -2.4800 -2.0800 . . sbm2 8 . C sbm2 9 . N parsed_1b4c 1
511 . . . . . . . . . . . . . . . . 0.8700 0.6700 1.0700 . . sbm2 9 . C sbm2 10 . N parsed_1b4c 1
512 . . . . . . . . . . . . . . . . -1.0700 -1.2700 -0.8700 . . sbm2 12 . C sbm2 13 . N parsed_1b4c 1
513 . . . . . . . . . . . . . . . . 0.2700 0.0700 0.4700 . . sbm2 13 . C sbm2 14 . N parsed_1b4c 1
514 . . . . . . . . . . . . . . . . -1.0100 -1.2100 -0.8100 . . sbm2 27 . C sbm2 28 . N parsed_1b4c 1
515 . . . . . . . . . . . . . . . . -1.8400 -2.0400 -1.6400 . . sbm2 29 . C sbm2 30 . N parsed_1b4c 1
516 . . . . . . . . . . . . . . . . -0.5200 -0.7200 -0.3200 . . sbm2 32 . C sbm2 33 . N parsed_1b4c 1
517 . . . . . . . . . . . . . . . . 0.9100 0.7100 1.1100 . . sbm2 35 . C sbm2 36 . N parsed_1b4c 1
518 . . . . . . . . . . . . . . . . -0.14000 -0.34000 0.06000 . . sbm2 41 . C sbm2 42 . N parsed_1b4c 1
519 . . . . . . . . . . . . . . . . 0.3600 0.1600 0.5600 . . sbm2 76 . C sbm2 77 . N parsed_1b4c 1
520 . . . . . . . . . . . . . . . . 0.7900 0.5900 0.9900 . . sbm2 78 . C sbm2 79 . N parsed_1b4c 1
521 . . . . . . . . . . . . . . . . -0.5700 -0.7700 -0.3700 . . sbm2 79 . C sbm2 80 . N parsed_1b4c 1
stop_
loop_
_RDC_constraint_comment_org.ID
_RDC_constraint_comment_org.Comment_text
_RDC_constraint_comment_org.Comment_begin_line
_RDC_constraint_comment_org.Comment_begin_column
_RDC_constraint_comment_org.Comment_end_line
_RDC_constraint_comment_org.Comment_end_column
_RDC_constraint_comment_org.Entry_ID
_RDC_constraint_comment_org.RDC_constraint_list_ID
1
;
Dipolar Coupling Constraints
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 2 and name N )
( segid="sbm1" and resid 2 and name HN ) -54.165 45.835
was -8.33 0
;
1 1 9 13 parsed_1b4c 1
2 "was 1.85" 24 1 24 11 parsed_1b4c 1
3 "was -6.77 0" 32 1 32 14 parsed_1b4c 1
4 "was 5.11 0.0" 40 1 40 14 parsed_1b4c 1
5 "was 9.11 0.0" 48 1 48 14 parsed_1b4c 1
6 "was 11.55 0" 56 1 56 13 parsed_1b4c 1
7 "was -11.32 0" 134 1 134 14 parsed_1b4c 1
8 "was -2.77 0, but it was out" 142 1 142 29 parsed_1b4c 1
9 "was -9.800 0, but it was out" 150 1 150 30 parsed_1b4c 1
10
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 89 and name N )
( segid="sbm1" and resid 89 and name HN ) 52.0000 48.0000
was 4.0000 0
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 91 and name N )
( segid="sbm1" and resid 91 and name HN ) 50.4000 49.6000
was 0.8 0
second subunit
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 2 and name N )
( segid="sbm2" and resid 2 and name HN ) -54.1650 45.8350
;
201 1 224 71 parsed_1b4c 1
11
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 89 and name N )
( segid="sbm2" and resid 89 and name HN ) 52.0000 48.0000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 91 and name N )
( segid="sbm2" and resid 91 and name HN ) 50.4000 49.6000
Residues transferred over from table 2
;
408 1 422 40 parsed_1b4c 1
12
;
residues 4,5,6,9,12,26,69 were moved to #1 category on 6/9/98
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 1 and name N )
( segid="sbm1" and resid 1 and name HN ) 8.2000 0.2 0.2
;
523 1 530 71 parsed_1b4c 1
13
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 4 and name N )
( segid="sbm1" and resid 4 and name HN ) -1.8400 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 5 and name N )
( segid="sbm1" and resid 5 and name HN ) -6.5500 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 6 and name N )
( segid="sbm1" and resid 6 and name HN ) -8.9000 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 9 and name N )
( segid="sbm1" and resid 9 and name HN ) -9.6900 0.2 0.2
;
539 1 565 72 parsed_1b4c 1
14
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 12 and name N )
( segid="sbm1" and resid 12 and name HN ) -5.6000 0.2 0.2
;
574 1 579 72 parsed_1b4c 1
15
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 14 and name N )
( segid="sbm1" and resid 14 and name HN ) -6.4000 0.2 0.2
back in 980211, poor peak shape/very weak in LC
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 15 and name N )
( segid="sbm1" and resid 15 and name HN ) -3.8200 0.2 0.2
back in 980211, very poor peak shape and weak in LC
back out 980227 - vios
;
588 1 603 24 parsed_1b4c 1
16
;
back in 980205, out again 980206 b/c RAMA vio
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 25 and name N )
( segid="sbm1" and resid 25 and name HN ) 1.700 0.2 0.2
back in 980205
;
611 1 619 16 parsed_1b4c 1
17 "overlap with 11/13 could be a real problem here" 641 1 641 49 parsed_1b4c 1
18
;
back in 980205
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 40 and name N )
( segid="sbm1" and resid 40 and name HN ) -0.9000 0.2 0.2
back in 980205, out 980312
;
649 1 657 28 parsed_1b4c 1
19 "back in 980205" 672 1 672 16 parsed_1b4c 1
20
;
back in 980205
back out 980227 - vios
;
680 1 681 24 parsed_1b4c 1
21 "back in 980211, poor pk shape/weak in LC" 689 1 689 42 parsed_1b4c 1
22 "back in 980205, out 980311 b/c vios" 704 1 704 37 parsed_1b4c 1
23
;
ovlps A9 in LC, causes RAMA vios, no b/c RAMA vios w/o it
out 980227 - vios
;
712 1 713 20 parsed_1b4c 1
24 "back in 980205, out 980311 - talos vios" 728 1 728 41 parsed_1b4c 1
25 "back in 980211" 736 1 736 16 parsed_1b4c 1
26 "back in 980205, out 980311 - vios" 744 1 744 35 parsed_1b4c 1
27
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 71 and name N )
( segid="sbm2" and resid 71 and name HN ) -6.3400 0.2 0.2
back in 980211, ovlps 76 in LC
out 980227
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 76 and name N )
( segid="sbm1" and resid 76 and name HN ) -8.0000 0.2 0.2
overlap in LC data
;
753 1 768 20 parsed_1b4c 1
28 "poor peak shape in both LC & iso, out 980312" 776 1 776 46 parsed_1b4c 1
29
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 88 and name N )
( segid="sbm1" and resid 88 and name HN ) -3.2000 0.2 0.2
wk peaks in LC, remove 980313 vios
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 90 and name N )
( segid="sbm1" and resid 90 and name HN ) 51.0500 48.9500
second subunit
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 1 and name N )
( segid="sbm2" and resid 1 and name HN ) 54.1000 45.9000
;
785 1 809 70 parsed_1b4c 1
30
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 4 and name N )
( segid="sbm2" and resid 4 and name HN ) -1.8400 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 5 and name N )
( segid="sbm2" and resid 5 and name HN ) -6.5500 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 6 and name N )
( segid="sbm2" and resid 6 and name HN ) -8.9000 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 9 and name N )
( segid="sbm2" and resid 9 and name HN ) -9.6900 0.2 0.2
;
818 1 844 72 parsed_1b4c 1
31
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 12 and name N )
( segid="sbm2" and resid 12 and name HN ) -5.6000 0.2 0.2
;
853 1 858 72 parsed_1b4c 1
32
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 14 and name N )
( segid="sbm2" and resid 14 and name HN ) -6.4000 0.2 0.2
back in 980211, poor peak shape/very weak in LC, out 980312
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 15 and name N )
( segid="sbm2" and resid 15 and name HN ) -3.8200 0.2 0.2
back in 980211, very poor peak shape and weak in LC
back out 980227 - vios
;
867 1 882 24 parsed_1b4c 1
33
;
back in 980205, out again 980206 b/c RAMA vio
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 25 and name N )
( segid="sbm2" and resid 25 and name HN ) 1.70 0.2 0.2
back in 980205
;
890 1 898 16 parsed_1b4c 1
34
;
back in 980205
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 40 and name N )
( segid="sbm2" and resid 40 and name HN ) -0.9000 0.2 0.2
back in 980205, out 980312
;
927 1 935 28 parsed_1b4c 1
35 "back in 980205" 950 1 950 16 parsed_1b4c 1
36
;
back in 980205
back out 980227 - vios
;
958 1 959 24 parsed_1b4c 1
37 "back in 980211, poor pk shape/weak in LC" 967 1 967 42 parsed_1b4c 1
38 "overlap with K24 for this peak DJW removed" 975 1 977 2 parsed_1b4c 1
39 "back in 980205, out 980311 - vios" 984 1 984 35 parsed_1b4c 1
40
;
ovlps A9 in LC, causes RAMA vios, no b/c RAMA vios w/o it
out 980227 - vios
;
992 1 993 20 parsed_1b4c 1
41 "back in 980205, out 980312" 1008 1 1008 28 parsed_1b4c 1
42 "back in 980211" 1016 1 1016 16 parsed_1b4c 1
43 "back in 980205, out 980311 - vios" 1024 1 1024 35 parsed_1b4c 1
44
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 71 and name N )
( segid="sbm2" and resid 71 and name HN ) -6.3400 0.2 0.2
back in 980211, ovlps 76 in LC
out 980227
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 76 and name N )
( segid="sbm2" and resid 76 and name HN ) -8.0000 0.2 0.2
;
1033 1 1047 72 parsed_1b4c 1
45 "poor peak shape in both LC & iso, out 980312" 1055 1 1055 46 parsed_1b4c 1
46
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 88 and name N )
( segid="sbm2" and resid 88 and name HN ) -3.2000 0.2 0.2
out 980313, wk pk in lc, vios
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 90 and name N )
( segid="sbm2" and resid 90 and name HN ) 51.0500 48.9500
This is a test file
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 1 and name CA )
( segid="sbm1" and resid 1 and name HA ) 57.6900 42.3100
;
1064 1 1086 71 parsed_1b4c 1
47 GLY 1116 1 1116 5 parsed_1b4c 1
48
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 24 and name CA )
( segid="sbm1" and resid 24 and name HA ) -5.62 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 25 and name CA )
( segid="sbm1" and resid 25 and name HA ) 15.63 0.2 0.2
residues 22-25 out since this region is flexible based on Keith's data (DJW removed)
;
1146 1 1160 86 parsed_1b4c 1
49 "use ave of PIPP and nmrD values - was 24.68" 1203 1 1203 45 parsed_1b4c 1
50 "used ave of nmrD and PIPP - PIPP = 31.95" 1225 1 1225 42 parsed_1b4c 1
51
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 50 and name CA )
( segid="sbm1" and resid 50 and name HA ) 5.50 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 51 and name CA )
( segid="sbm1" and resid 51 and name HA ) -13.27 0.2 0.2
;
1255 1 1267 72 parsed_1b4c 1
52 "checked it 980125 - OK" 1317 1 1317 24 parsed_1b4c 1
53
;
checked it 980125 - OK
GLY
;
1346 1 1348 5 parsed_1b4c 1
54 GLY 1363 1 1363 5 parsed_1b4c 1
55 "checked it 980125 - OK" 1398 1 1398 24 parsed_1b4c 1
56
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 89 and name CA )
( segid="sbm1" and resid 89 and name HA ) 0.7800 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 90 and name CA )
( segid="sbm1" and resid 90 and name HA ) 53.8100 46.1900
SECOND SUBUNIT
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 1 and name CA )
( segid="sbm2" and resid 1 and name HA ) 57.6900 42.3100
;
1435 1 1457 70 parsed_1b4c 1
57 GLY 1487 1 1487 5 parsed_1b4c 1
58 GLY 1509 1 1509 5 parsed_1b4c 1
59
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 24 and name CA )
( segid="sbm2" and resid 24 and name HA ) -5.6200 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 25 and name CA )
( segid="sbm2" and resid 25 and name HA ) 15.6300 0.2 0.2
;
1517 1 1529 72 parsed_1b4c 1
60 "use ave of PIPP and nmrD values - was 24.68" 1572 1 1572 45 parsed_1b4c 1
61 "used ave of nmrD and PIPP - PIPP = 31.95" 1594 1 1594 42 parsed_1b4c 1
62
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 50 and name CA )
( segid="sbm2" and resid 50 and name HA ) 5.5000 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 51 and name CA )
( segid="sbm2" and resid 51 and name HA ) -13.2700 0.2 0.2
;
1624 1 1636 73 parsed_1b4c 1
63 "checked it 980125 - OK" 1686 1 1686 24 parsed_1b4c 1
64
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 63 and name CA )
( segid="sbm2" and resid 63 and name HA ) 4.6500 0.2 0.2
checked it 980125 - OK
GLY
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 64 and name CA )
( segid="sbm2" and resid 64 and name HA# ) -6.5400 0.2 0.2
In flexible region w/o Ca (DJW removed)
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 65 and name CA )
( segid="sbm2" and resid 65 and name HA ) 30.9400 0.2 0.2
GLY
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 66 and name CA )
( segid="sbm2" and resid 66 and name HA# ) -12.0900 0.2 0.2
;
1709 1 1740 2 parsed_1b4c 1
65 "checked it 980125 - OK" 1768 1 1768 24 parsed_1b4c 1
66
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 88 and name CA )
( segid="sbm2" and resid 88 and name HA ) -50.7350 49.2650 ! -1.4700 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 89 and name CA )
( segid="sbm2" and resid 89 and name HA ) 0.7800 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 90 and name CA )
( segid="sbm2" and resid 90 and name HA ) 53.8100 46.1900 ! 7.6200 0.2 0.2
residues from the 2nd tier that are now 1st tier (6/9/98)
;
1798 1 1819 59 parsed_1b4c 1
67
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 0 and name CA )
( segid="sbm1" and resid 0 and name HA ) 55.8600 44.1400 !11.7200 0.2 0.2
S1a gives 13.24, S1b gives 10.20, ave = 11.72
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 2 and name CA )
( segid="sbm1" and resid 2 and name HA ) 52.6600 47.3400 !7.5600 0.2 0.2
ave of 3a=5.32 and 3b=9.8 I took the lower one for the limit setting (5.32)
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 3 and name CA )
( segid="sbm1" and resid 3 and name HA ) -55.9700 44.0300 !-11.94 0.2 0.2
pks for 4b too wk in LC - use 4a only - changed from 15.0 acd
out 980227 - vios
;
1877 1 1900 19 parsed_1b4c 1
68
;
viol/amb - 3 sets pks give different values
out 980227 - vios
;
1908 1 1909 19 parsed_1b4c 1
69 "slight ovlp w/ 38HN (37CaHa)" 1924 1 1924 30 parsed_1b4c 1
70 "very weak peak, should probably remove later" 1940 1 1940 46 parsed_1b4c 1
71 "AMB - upfield pk in LC ovlped - out 980227" 1948 1 1948 44 parsed_1b4c 1
72
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 30 and name CA )
( segid="sbm1" and resid 30 and name HA ) -26.0000 0.2 0.2
peak wk and poor shape proton shift off by 6 Hz when top and bottom pk compared
;
1964 1 1970 81 parsed_1b4c 1
73
;
slight ovlp with 7HN (6CaHa)
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 39 and name CA )
( segid="sbm1" and resid 39 and name HA ) 68.6650 31.3350 !37.3300 0.2 0.2
remove b/c larege vios, back in 980211, back out 980227
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 40 and name CA )
( segid="sbm1" and resid 40 and name HA ) 7.8000 0.2 0.2
amb assignment for 3 multiples of S41
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 41 and name CA )
( segid="sbm1" and resid 41 and name HA ) 22.1500 0.2 0.2
moved to 1st tier
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 44 and name CA )
( segid="sbm1" and resid 44 and name HA ) 58.0800 41.9200 !16.1600 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 45 and name CA )
( segid="sbm1" and resid 45 and name HA ) -51.975 48.025 !-3.9500 0.2 0.2
;
1978 1 2016 97 parsed_1b4c 1
74
;
wk peak in LC - out 031198
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 68 and name CA )
( segid="sbm1" and resid 68 and name HA ) 22.5300 0.2 0.2
very wk & poor pk shape in LC; but still ok and moved to 1st tier
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 69 and name CA )
( segid="sbm1" and resid 69 and name HA ) -52.1400 47.8600 !-4.2800 0.2 0.2
wk and poor pk shape in LC
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 76 and name CA )
( segid="sbm1" and resid 76 and name HA ) -0.0100 0.2 0.2
wk and poor pk shape in LC; also 8Hz diff in proton peaks here
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 77 and name CA )
( segid="sbm1" and resid 77 and name HA ) -10.0300 0.2 0.2
vio - pks max at different planes and slightly ovlped in LC
back in 980211, back out 980227
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 0 and name CA )
( segid="sbm2" and resid 0 and name HA ) 55.8600 44.1400
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 2 and name CA )
( segid="sbm2" and resid 2 and name HA ) 52.6600 47.3400
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 3 and name CA )
( segid="sbm2" and resid 3 and name HA ) -55.9700 44.0300 ! -11.94 0.2 0.2
pks for 4b too wk in LC - use 4a only - changed from 15.0 acd
out 980227 - vios
;
2024 1 2081 19 parsed_1b4c 1
75
;
viol/amb - 3 sets pks give different values
out 980227 - vios
;
2089 1 2090 19 parsed_1b4c 1
76 "slight ovlp w/ 38HN (37CaHa)" 2105 1 2105 30 parsed_1b4c 1
77 "AMB - upfield pk in LC ovlped - out 980227" 2113 1 2113 44 parsed_1b4c 1
78
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 30 and name CA )
( segid="sbm2" and resid 30 and name HA ) -26.0000 0.2 0.2
peak wk and poor shape
;
2129 1 2135 24 parsed_1b4c 1
79
;
slight ovlp with 7HN (6CaHa)
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 39 and name CA )
( segid="sbm2" and resid 39 and name HA ) 68.6650 31.3350 !37.3300 0.2 0.2
remove b/c larege vios, back in 980211, back out 980227
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 40 and name CA )
( segid="sbm2" and resid 40 and name HA ) 7.8000 0.2 0.2
amb assignment for 3 multiples of S41
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 41 and name CA )
( segid="sbm2" and resid 41 and name HA ) 22.1500 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 44 and name CA )
( segid="sbm2" and resid 44 and name HA ) 58.0800 41.9200 !16.1600 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 45 and name CA )
( segid="sbm2" and resid 45 and name HA ) -51.9750 48.0250 !-3.9500 0.2 0.2
;
2143 1 2180 97 parsed_1b4c 1
80
;
wk peak in LC - out 031198
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 68 and name CA )
( segid="sbm2" and resid 68 and name HA ) 22.5300 0.2 0.2
very wk & poor pk shape in LC
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 69 and name CA )
( segid="sbm2" and resid 69 and name HA ) -52.1400 47.8600 !-4.2800 0.2 0.2
wk and poor pk shape in LC
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 76 and name CA )
( segid="sbm2" and resid 76 and name HA ) -0.0100 0.2 0.2
wk and poor pk shape in LC
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 77 and name CA )
( segid="sbm2" and resid 77 and name HA ) -10.0300 0.2 0.2
vio - pks max at different planes and slightly ovlped in LC
back in 980211, back out 980227
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 78 and name CA )
( segid="sbm2" and resid 78 and name HA ) 27.8200 0.2 0.2
;
2188 1 2228 72 parsed_1b4c 1
81
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 8 and name CA )
( segid="sbm1" and resid 8 and name HA ) 3.7800 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 9 and name CA )
( segid="sbm1" and resid 9 and name HA ) -2.5700 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 14 and name CA )
( segid="sbm1" and resid 14 and name HA ) -3.4300 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 16 and name CA )
( segid="sbm1" and resid 16 and name HA ) -8.6600 0.2 0.2
GLY
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 19 and name CA )
( segid="sbm1" and resid 19 and name HA# ) 28.4000 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 20 and name CA )
( segid="sbm1" and resid 20 and name HA ) 20.25 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 21 and name CA )
( segid="sbm1" and resid 21 and name HA ) -14.87 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 22 and name CA )
( segid="sbm1" and resid 22 and name HA# ) -1.16 0.2 0.2
;
2238 1 2295 70 parsed_1b4c 1
82
;
residues 22-25 out since this region is flexible based on Keith's data (DJW removed)
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 26 and name CA )
( segid="sbm1" and resid 26 and name HA ) -17.1800 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 27 and name CA )
( segid="sbm1" and resid 27 and name HA ) -4.6000 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 28 and name CA )
( segid="sbm1" and resid 28 and name HA ) 26.9200 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 29 and name CA )
( segid="sbm1" and resid 29 and name HA ) -4.05 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 31 and name CA )
( segid="sbm1" and resid 31 and name HA ) 7.7200 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 32 and name CA )
( segid="sbm1" and resid 32 and name HA ) 24.3800 0.2 0.2
!use ave of PIPP and nmrD values - was 24.68
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 33 and name CA )
( segid="sbm1" and resid 33 and name HA ) -22.2900 0.2 0.2
iassign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 34 and name CA )
( segid="sbm1" and resid 34 and name HA ) -15.7200 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 35 and name CA )
( segid="sbm1" and resid 35 and name HA ) 31.2500 0.2 0.2
used ave of nmrD and PIPP - PIPP = 31.95
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 36 and name CA )
( segid="sbm1" and resid 36 and name HA ) -0.9600 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 38 and name CA )
( segid="sbm1" and resid 38 and name HA ) -5.4300 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 48 and name CA )
( segid="sbm1" and resid 48 and name HA ) 2.61 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 49 and name CA )
( segid="sbm1" and resid 49 and name HA ) -15.84 0.2 0.2
;
2311 1 2404 73 parsed_1b4c 1
83
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 52 and name CA )
( segid="sbm1" and resid 52 and name HA ) 29.5700 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 53 and name CA )
( segid="sbm1" and resid 53 and name HA ) -15.4800 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 54 and name CA )
( segid="sbm1" and resid 54 and name HA ) 2.6100 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 55 and name CA )
( segid="sbm1" and resid 55 and name HA ) 11.5600 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 56 and name CA )
( segid="sbm1" and resid 56 and name HA ) 2.8300 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 57 and name CA )
( segid="sbm1" and resid 57 and name HA ) -9.2900 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 58 and name CA )
( segid="sbm1" and resid 58 and name HA ) -14.9300 0.2 0.2
checked it 980125 - OK
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 59 and name CA )
( segid="sbm1" and resid 59 and name HA ) 31.5600 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 60 and name CA )
( segid="sbm1" and resid 60 and name HA ) -12.3400 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 62 and name CA )
( segid="sbm1" and resid 62 and name HA ) -56.71 0.2 50
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 63 and name CA )
( segid="sbm1" and resid 63 and name HA ) 54.67 50 0.2
checked it 980125 - OK
GLY
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 64 and name CA )
( segid="sbm1" and resid 64 and name HA# ) -56.54 0.2 50
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 65 and name CA )
( segid="sbm1" and resid 65 and name HA ) 80.94 50 0.2
GLY
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 66 and name CA )
( segid="sbm1" and resid 66 and name HA# ) -62.09 0.2 50
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 70 and name CA )
( segid="sbm1" and resid 70 and name HA ) 3.3700 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 71 and name CA )
( segid="sbm1" and resid 71 and name HA ) 7.6900 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 72 and name CA )
( segid="sbm1" and resid 72 and name HA ) -8.3500 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 73 and name CA )
( segid="sbm1" and resid 73 and name HA ) -10.5200 0.2 0.2
checked it 980125 - OK
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 74 and name CA )
( segid="sbm1" and resid 74 and name HA ) 25.3300 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 75 and name CA )
( segid="sbm1" and resid 75 and name HA ) -18.5400 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 79 and name CA )
( segid="sbm1" and resid 79 and name HA ) -15.5900 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 80 and name CA )
( segid="sbm1" and resid 80 and name HA ) -0.54 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 88 and name CA )
( segid="sbm1" and resid 88 and name HA ) -1.47 0.2 0.2
;
2420 1 2585 2 parsed_1b4c 1
84 "SECOND SUBUNIT" 2601 1 2601 16 parsed_1b4c 1
85
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 8 and name CA )
( segid="sbm2" and resid 8 and name HA ) 3.7800 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 9 and name CA )
( segid="sbm2" and resid 9 and name HA ) -2.5700 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 14 and name CA )
( segid="sbm2" and resid 14 and name HA ) -3.4300 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 16 and name CA )
( segid="sbm2" and resid 16 and name HA ) -8.6600 0.2 0.2
!GLY
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 19 and name CA )
( segid="sbm2" and resid 19 and name HA# ) 28.400 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 20 and name CA )
( segid="sbm2" and resid 20 and name HA ) 20.2500 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 21 and name CA )
( segid="sbm2" and resid 21 and name HA ) -14.8700 0.2 0.2
!GLY
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 22 and name CA )
( segid="sbm2" and resid 22 and name HA# ) -1.1600 0.2 0.2
;
2610 1 2667 2 parsed_1b4c 1
86
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 26 and name CA )
( segid="sbm2" and resid 26 and name HA ) -17.1800 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 27 and name CA )
( segid="sbm2" and resid 27 and name HA ) -4.6000 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 28 and name CA )
( segid="sbm2" and resid 28 and name HA ) 26.9200 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 29 and name CA )
( segid="sbm2" and resid 29 and name HA ) -4.0500 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 31 and name CA )
( segid="sbm2" and resid 31 and name HA ) 7.7200 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 32 and name CA )
( segid="sbm2" and resid 32 and name HA ) 24.3800 0.2 0.2
!use ave of PIPP and nmrD values - was 24.68
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 33 and name CA )
( segid="sbm2" and resid 33 and name HA ) -22.2900 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 34 and name CA )
( segid="sbm2" and resid 34 and name HA ) -15.7200 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 35 and name CA )
( segid="sbm2" and resid 35 and name HA ) 31.2500 0.2 0.2
!used ave of nmrD and PIPP - PIPP = 31.95
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 36 and name CA )
( segid="sbm2" and resid 36 and name HA ) -0.9600 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 38 and name CA )
( segid="sbm2" and resid 38 and name HA ) -5.4300 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 48 and name CA )
( segid="sbm2" and resid 48 and name HA ) 2.6100 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 49 and name CA )
( segid="sbm2" and resid 49 and name HA ) -15.8400 0.2 0.2
;
2682 1 2774 2 parsed_1b4c 1
87
;
assign ( resid 500 and name OO )
! ( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 52 and name CA )
( segid="sbm2" and resid 52 and name HA ) 29.5700 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 53 and name CA )
( segid="sbm2" and resid 53 and name HA ) -15.4800 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 54 and name CA )
( segid="sbm2" and resid 54 and name HA ) 2.6100 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 55 and name CA )
( segid="sbm2" and resid 55 and name HA ) 11.5600 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 56 and name CA )
( segid="sbm2" and resid 56 and name HA ) 2.8300 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 57 and name CA )
( segid="sbm2" and resid 57 and name HA ) -9.2900 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 58 and name CA )
( segid="sbm2" and resid 58 and name HA ) -14.9300 0.2 0.2
!checked it 980125 - OK
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 59 and name CA )
( segid="sbm2" and resid 59 and name HA ) 31.5600 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 60 and name CA )
( segid="sbm2" and resid 60 and name HA ) -12.3400 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 62 and name CA )
( segid="sbm2" and resid 62 and name HA ) -56.7100 0.2 50
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 63 and name CA )
( segid="sbm2" and resid 63 and name HA ) 54.6500 50 0.2
checked it 980125 - OK
GLY
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 64 and name CA )
( segid="sbm2" and resid 64 and name HA# ) -56.5400 0.2 50
In flexible region w/o Ca (DJW removed)
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 65 and name CA )
( segid="sbm2" and resid 65 and name HA ) 80.9400 50 0.2
!GLY
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 66 and name CA )
( segid="sbm2" and resid 66 and name HA# ) -62.0900 0.2 50
!
!assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 70 and name CA )
( segid="sbm2" and resid 70 and name HA ) 3.3700 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 71 and name CA )
( segid="sbm2" and resid 71 and name HA ) 7.6900 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 72 and name CA )
( segid="sbm2" and resid 72 and name HA ) -8.3500 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 73 and name CA )
( segid="sbm2" and resid 73 and name HA ) -10.5200 0.2 0.2
checked it 980125 - OK
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 74 and name CA )
( segid="sbm2" and resid 74 and name HA ) 25.3300 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 75 and name CA )
( segid="sbm2" and resid 75 and name HA ) -18.5400 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 79 and name CA )
( segid="sbm2" and resid 79 and name HA ) -15.5900 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 80 and name CA )
( segid="sbm2" and resid 80 and name HA ) -0.5400 0.2 0.2
;
2789 1 2948 2 parsed_1b4c 1
88
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 89 and name CA )
( segid="sbm2" and resid 89 and name HA ) 50.78
;
2956 1 2961 60 parsed_1b4c 1
89
;
residues from the 2nd tier that are now 1st tier (6/9/98)
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 30 and name CA )
( segid="sbm1" and resid 30 and name HA ) -26.0000 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 41 and name CA )
( segid="sbm1" and resid 41 and name HA ) 22.1500 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 68 and name CA )
( segid="sbm1" and resid 68 and name HA ) 22.5300 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 76 and name CA )
( segid="sbm1" and resid 76 and name HA ) -0.0100 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 30 and name CA )
( segid="sbm2" and resid 30 and name HA ) -26.0000 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 41 and name CA )
( segid="sbm2" and resid 41 and name HA ) 22.1500 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 68 and name CA )
( segid="sbm2" and resid 68 and name HA ) 22.5300 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 76 and name CA )
( segid="sbm2" and resid 76 and name HA ) -0.0100 0.2 0.2
;
2970 1 3027 2 parsed_1b4c 1
90 "checked 980125 - looks OK" 3082 1 3082 27 parsed_1b4c 1
91 "overlap with 37 in hnco is somewhat problematic" 3097 1 3097 50 parsed_1b4c 1
92 "checked 980125 - looks OK" 3124 1 3124 27 parsed_1b4c 1
93 "overlap in LC to some degree for 31 in hnco" 3217 1 3217 45 parsed_1b4c 1
94
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 59 and name C )
( segid="sbm1" and resid 59 and name CA ) -1.2300 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 59 and name C )
( segid="sbm2" and resid 59 and name CA ) -1.2300 0.2 0.2
iso splitting quite low (51.2), out 980311 - vios
;
3427 1 3439 52 parsed_1b4c 1
95 "low iso value (51.1) makes it suspect, 66psi/67phi vios" 3506 1 3506 58 parsed_1b4c 1
96 "from 2nd tier" 3638 1 3638 15 parsed_1b4c 1
97 "out 980311 - vios,multiples" 3717 1 3717 30 parsed_1b4c 1
98 "some ovlp of pks in iso" 3731 1 3731 25 parsed_1b4c 1
99 "DJW removed" 3745 1 3745 13 parsed_1b4c 1
100
;
only 4a seen, 4b missing
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 4 and name C )
( segid="sbm1" and resid 4 and name CA ) -0.0700 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 4 and name C )
( segid="sbm2" and resid 4 and name CA ) -0.0700 0.2 0.2
;
3759 1 3772 72 parsed_1b4c 1
101
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 8 and name C )
( segid="sbm1" and resid 8 and name CA ) -1.9100 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 8 and name C )
( segid="sbm2" and resid 8 and name CA ) -1.9100 0.2 0.2
poor peak shape in LC and iso - vios, back in 980211, out 980227 - vios
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 9 and name C )
( segid="sbm1" and resid 9 and name CA ) 2.8100 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 9 and name C )
( segid="sbm2" and resid 9 and name CA ) 2.8100 0.2 0.2
;
3800 1 3825 70 parsed_1b4c 1
102
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 13 and name C )
( segid="sbm1" and resid 13 and name CA ) 1.7600 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 13 and name C )
( segid="sbm2" and resid 13 and name CA ) 1.7600 0.2 0.2
;
3840 1 3851 71 parsed_1b4c 1
103 "poor peak shape both LC & iso, back in 980211, out 980227 - vios" 3866 1 3866 66 parsed_1b4c 1
104
;
peaks ovlped in LC
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 39 and name C )
( segid="sbm1" and resid 39 and name CA ) -2.2400 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 39 and name C )
( segid="sbm2" and resid 39 and name CA ) -2.2400 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 40 and name C )
( segid="sbm1" and resid 40 and name CA ) -1.2700 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 40 and name C )
( segid="sbm2" and resid 40 and name CA ) -1.2700 0.2 0.2
;
3880 1 3906 72 parsed_1b4c 1
105
;
amb - only 1/3 pks for 44 in LC data and its a poor pk, back in 980212
out 980227 - vios
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 44 and name C )
( segid="sbm1" and resid 44 and name CA ) -2.8800 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 44 and name C )
( segid="sbm2" and resid 44 and name CA ) -2.8800 0.2 0.2
out 980311, poor peak shape both - multiples, vios
;
3933 1 3948 53 parsed_1b4c 1
106
;
value from 46e(LC)-46def(iso)
amb assign ( resid 500 and name OO )
amb ( resid 500 and name Z )
amb ( resid 500 and name X )
amb ( resid 500 and name Y )
amb ( segid="sbm1" and resid 48 and name C )
amb ( segid="sbm1" and resid 48 and name CA ) 4.1900 0.2 0.2
amb assign ( resid 500 and name OO )
amb ( resid 500 and name Z )
amb ( resid 500 and name X )
amb ( resid 500 and name Y )
amb ( segid="sbm2" and resid 48 and name C )
amb ( segid="sbm2" and resid 48 and name CA ) 4.1900 0.2 0.2
amb lower peak ovlped in iso data
;
3962 1 3976 38 parsed_1b4c 1
107 "1.35 with PIPP and 1.12 with nmrDraw - ave = 1.24, LC pk ovlped" 4004 1 4004 66 parsed_1b4c 1
108
;
weak peak in LC
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 76 and name C )
( segid="sbm1" and resid 76 and name CA ) 4.1900 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 76 and name C )
( segid="sbm2" and resid 76 and name CA ) 4.1900 0.2 0.2
amb - 77 ovlped in both LC and iso, dont use
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 82 and name C )
( segid="sbm1" and resid 82 and name CA ) -4.2300 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 82 and name C )
( segid="sbm2" and resid 82 and name CA ) -4.2300 0.2 0.2
- very weak pks in LC, and amb, bad peak in iso
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 87 and name C )
( segid="sbm1" and resid 87 and name CA ) 3.1500 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 87 and name C )
( segid="sbm2" and resid 87 and name CA ) 3.1500 0.2 0.2
amb - poor peak shape and quite weak in LC and iso
;
4019 1 4061 52 parsed_1b4c 1
109 "amb - poor peak shape in LC, low spiltting in iso (51.2), some vios" 4075 1 4075 69 parsed_1b4c 1
110
;
- very poor pk in iso
out 980227 - vios
;
4089 1 4090 20 parsed_1b4c 1
111
;
poor peak shape LC & iso, and two LC peaks max at different planes
this is a test table
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 1 and name C )
( segid="sbm1" and resid 2 and name HN ) -3.8800 0.2 0.2
;
4104 1 4113 72 parsed_1b4c 1
112 "nmrDraw= -1.90, PIPP= -2.51" 4142 1 4142 29 parsed_1b4c 1
113
;
vio in Rama plot for 56??
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 56 and name C )
( segid="sbm1" and resid 57 and name HN ) -1.8000 0.2 0.2
out 980312, poor peak shape LC, talos vio
;
4192 1 4200 44 parsed_1b4c 1
114
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 88 and name C )
( segid="sbm1" and resid 89 and name HN ) 1.8300 0.2 0.2
second subunit
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 1 and name C )
( segid="sbm2" and resid 2 and name HN ) -3.8800 0.2 0.2
;
4265 1 4281 72 parsed_1b4c 1
115 "nmrDraw= -1.90, PIPP= -2.51" 4310 1 4310 29 parsed_1b4c 1
116
;
vio in Rama plot for 56??
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 56 and name C )
( segid="sbm2" and resid 57 and name HN ) -1.8000 0.2 0.2
out 980312, poor peak shape LC, talos vios
;
4360 1 4368 45 parsed_1b4c 1
117
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 88 and name C )
( segid="sbm2" and resid 89 and name HN ) 1.8300 0.2 0.2
dipos from 2nd category that were promoted to #1
;
4433 1 4440 50 parsed_1b4c 1
118 "back in 980210" 4448 1 4448 16 parsed_1b4c 1
119 "back in 980210" 4484 1 4484 16 parsed_1b4c 1
120
;
back in 980210
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 0 and name C )
( segid="sbm1" and resid 1 and name N ) 1.7500 0.2 0.2
1a 2.13, 1b 1.37, ave = 1.75
;
4513 1 4521 30 parsed_1b4c 1
121
;
ave of 3 multiples is 1.21 +/- 0.56 , 5c ovlps 77
back in 980210
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 5 and name C )
( segid="sbm1" and resid 6 and name N ) -0.1500 0.2 0.2
ave of -0.42(6a) and 0.12(6b), out 980311
;
4536 1 4545 43 parsed_1b4c 1
122 "back in 980210, ovlps 79" 4553 1 4553 27 parsed_1b4c 1
123
;
back in 980210
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 11 and name C )
( segid="sbm1" and resid 12 and name N ) 2.7000 0.2 0.2
very wk pk
;
4561 1 4569 12 parsed_1b4c 1
124 "back in 980210" 4577 1 4577 16 parsed_1b4c 1
125
;
back in 980210
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 14 and name C )
( segid="sbm1" and resid 15 and name N ) -0.7500 0.2 0.2
very poor pk shape and weak
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 22 and name C )
( segid="sbm1" and resid 23 and name N ) -0.2700 0.2 0.2
back in 980210, out 980311
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 24 and name C )
( segid="sbm1" and resid 25 and name N ) 1.7400 0.2 0.2
ovlps 51 in LC
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 26 and name C )
( segid="sbm1" and resid 27 and name N ) -1.6400 0.2 0.2
back in 980210, out 980313, ovlps 54 some in LC
;
4585 1 4617 49 parsed_1b4c 1
126 "peaks in LC ovlp slightly" 4625 1 4625 27 parsed_1b4c 1
127 "back in 980210" 4633 1 4633 16 parsed_1b4c 1
128
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 38 and name C )
( segid="sbm1" and resid 39 and name N ) -0.2900 0.2 0.2
back in 980210, out 980311 - vios
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 40 and name C )
( segid="sbm1" and resid 41 and name N ) -0.06500 0.2 0.2
back in 980210, ave of 41d and 41e, out 980311 - vios
;
4649 1 4663 55 parsed_1b4c 1
129
;
back in 980210, ave of 42d (0.03) and 42e(-0.30)
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 43 and name C )
( segid="sbm1" and resid 44 and name N ) -0.1000 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 49 and name C )
( segid="sbm1" and resid 50 and name N ) -1.8000 0.2 0.2
back in 980210, out 980311 - vios
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 50 and name C )
( segid="sbm1" and resid 51 and name N ) 0.6100 0.2 0.2
back in 980210, out 980311
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 58 and name C )
( segid="sbm1" and resid 59 and name N ) -1.8200 0.2 0.2
back in 980210, out 980311
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 65 and name C )
( segid="sbm1" and resid 66 and name N ) -1.4200 0.2 0.2
own peaks ovlp in LC, out 980311
;
4671 1 4710 34 parsed_1b4c 1
130 "back in 980210" 4718 1 4718 16 parsed_1b4c 1
131
;
back in 980210
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 89 and name C )
( segid="sbm1" and resid 90 and name N ) 0.12000 0.2 0.2
back in 980210
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 90 and name C )
( segid="sbm1" and resid 91 and name N ) 0.1600 0.2 0.2
SECOND SUBUNIT
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 0 and name C )
( segid="sbm2" and resid 1 and name N ) 1.7500 0.2 0.2
1a 2.13, 1b 1.37, ave = 1.75
;
4733 1 4761 30 parsed_1b4c 1
132
;
ave of 3 multiples is 1.21 +/- 0.56 , 5c ovlps 77
back in 980210
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 5 and name C )
( segid="sbm2" and resid 6 and name N ) -0.1500 0.2 0.2
ave of -0.42(6a) and 0.12(6b), out 980311
;
4776 1 4785 43 parsed_1b4c 1
133 "back in 980210, ovlps 79" 4793 1 4793 27 parsed_1b4c 1
134
;
back in 980210
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 11 and name C )
( segid="sbm2" and resid 12 and name N ) 2.7000 0.2 0.2
very wk pk
;
4801 1 4809 12 parsed_1b4c 1
135 "back in 980210" 4817 1 4817 16 parsed_1b4c 1
136
;
back in 980210
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 14 and name C )
( segid="sbm2" and resid 15 and name N ) -0.7500 0.2 0.2
very poor pk shape and weak
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 22 and name C )
( segid="sbm2" and resid 23 and name N ) -0.2700 0.2 0.2
back in 980210, out 980311
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 24 and name C )
( segid="sbm2" and resid 25 and name N ) 1.7400 0.2 0.2
ovlps 51 in LC
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 26 and name C )
( segid="sbm2" and resid 27 and name N ) -1.6400 0.2 0.2
back in 980210, ovlps 54 some in LC
;
4825 1 4857 37 parsed_1b4c 1
137 "peaks in LC ovlp slightly" 4865 1 4865 27 parsed_1b4c 1
138 "back in 980210" 4873 1 4873 16 parsed_1b4c 1
139
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 38 and name C )
( segid="sbm2" and resid 39 and name N ) -0.2900 0.2 0.2
back in 980210, out 980311 - vios
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 40 and name C )
( segid="sbm2" and resid 41 and name N ) -0.06500 0.2 0.2
back in 980210, ave of 41d and 41e, out 980311 - vios
;
4889 1 4903 55 parsed_1b4c 1
140
;
back in 980210, ave of 42d (0.03) and 42e(-0.30)
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 43 and name C )
( segid="sbm2" and resid 44 and name N ) -0.1000 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 49 and name C )
( segid="sbm2" and resid 50 and name N ) -1.8000 0.2 0.2
back in 980210, out 980311
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 50 and name C )
( segid="sbm2" and resid 51 and name N ) 0.6100 0.2 0.2
back in 980210, out 980311
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 58 and name C )
( segid="sbm2" and resid 59 and name N ) -1.8200 0.2 0.2
back in 980210, out 980311 - vios
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 65 and name C )
( segid="sbm2" and resid 66 and name N ) -1.4200 0.2 0.2
own peaks ovlp in LC, out 980311 - vios
;
4911 1 4950 41 parsed_1b4c 1
141 "back in 980210" 4958 1 4958 16 parsed_1b4c 1
142
;
back in 980210
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 89 and name C )
( segid="sbm2" and resid 90 and name N ) 0.12000 0.2 0.2
back in 980210
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 90 and name C )
( segid="sbm2" and resid 91 and name N ) 0.1600 0.2 0.2
This is a test file
;
4973 1 4990 21 parsed_1b4c 1
143 "checked 980126 - looks OK - -0.75 w/nmrDraw" 5026 1 5026 45 parsed_1b4c 1
144 "checked 980126 - looks OK" 5055 1 5055 27 parsed_1b4c 1
145 "out 980312, poor peak shape" 5084 1 5084 29 parsed_1b4c 1
146 "checked 980126 - looks OK but peak is oblong" 5113 1 5113 46 parsed_1b4c 1
147 "some ovlp in LC of own 2 pks, ie too much to pick w/nmrDraw" 5149 1 5149 61 parsed_1b4c 1
148 "SECOND SUBUNIT" 5159 1 5159 16 parsed_1b4c 1
149 "checked 980126 - looks OK - -0.75 w/nmrDraw" 5195 1 5195 45 parsed_1b4c 1
150 "checked 980126 - looks OK" 5224 1 5224 27 parsed_1b4c 1
151 "out 980312, poor peak shape" 5253 1 5253 30 parsed_1b4c 1
152 "checked 980126 - looks OK but peak is oblong" 5282 1 5282 46 parsed_1b4c 1
153 "some ovlp in LC of own 2 pks, ie too much to pick w/nmrDraw" 5318 1 5318 61 parsed_1b4c 1
154
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 0 and name C )
( segid="sbm1" and resid 1 and name N ) 1.7500 0.2 0.2
1a 2.13, 1b 1.37, ave = 1.75
;
5327 1 5333 30 parsed_1b4c 1
155
;
ave of 3 multiples is 1.21 +/- 0.56 , 5c ovlps 77
back in 980210
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 5 and name C )
( segid="sbm1" and resid 6 and name N ) -0.1500 0.2 0.2
ave of -0.42(6a) and 0.12(6b), out 980311
;
5348 1 5357 43 parsed_1b4c 1
156 "back in 980210, ovlps 79" 5365 1 5365 27 parsed_1b4c 1
157
;
back in 980210
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 11 and name C )
( segid="sbm1" and resid 12 and name N ) 2.7000 0.2 0.2
very wk pk
;
5373 1 5381 12 parsed_1b4c 1
158 "back in 980210" 5389 1 5389 16 parsed_1b4c 1
159
;
back in 980210
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 14 and name C )
( segid="sbm1" and resid 15 and name N ) -0.7500 0.2 0.2
very poor pk shape and weak
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 22 and name C )
( segid="sbm1" and resid 23 and name N ) -0.2700 0.2 0.2
back in 980210, out 980311
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 24 and name C )
( segid="sbm1" and resid 25 and name N ) 1.7400 0.2 0.2
ovlps 51 in LC
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 26 and name C )
( segid="sbm1" and resid 27 and name N ) -1.6400 0.2 0.2
back in 980210, out 980313, ovlps 54 some in LC
;
5397 1 5429 49 parsed_1b4c 1
160 "peaks in LC ovlp slightly" 5437 1 5437 27 parsed_1b4c 1
161 "back in 980210" 5445 1 5445 16 parsed_1b4c 1
162
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 38 and name C )
( segid="sbm1" and resid 39 and name N ) -0.2900 0.2 0.2
back in 980210, out 980311 - vios
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 40 and name C )
( segid="sbm1" and resid 41 and name N ) -0.06500 0.2 0.2
back in 980210, ave of 41d and 41e, out 980311 - vios
;
5461 1 5475 55 parsed_1b4c 1
163
;
back in 980210, ave of 42d (0.03) and 42e(-0.30)
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 43 and name C )
( segid="sbm1" and resid 44 and name N ) -0.1000 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 49 and name C )
( segid="sbm1" and resid 50 and name N ) -1.8000 0.2 0.2
back in 980210, out 980311 - vios
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 50 and name C )
( segid="sbm1" and resid 51 and name N ) 0.6100 0.2 0.2
back in 980210, out 980311
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 58 and name C )
( segid="sbm1" and resid 59 and name N ) -1.8200 0.2 0.2
back in 980210, out 980311
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 65 and name C )
( segid="sbm1" and resid 66 and name N ) -1.4200 0.2 0.2
own peaks ovlp in LC, out 980311
;
5483 1 5522 34 parsed_1b4c 1
164 "back in 980210" 5530 1 5530 16 parsed_1b4c 1
165
;
back in 980210
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 89 and name C )
( segid="sbm1" and resid 90 and name N ) 0.12000 0.2 0.2
back in 980210
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm1" and resid 90 and name C )
( segid="sbm1" and resid 91 and name N ) 0.1600 0.2 0.2
SECOND SUBUNIT
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 0 and name C )
( segid="sbm2" and resid 1 and name N ) 1.7500 0.2 0.2
1a 2.13, 1b 1.37, ave = 1.75
;
5545 1 5573 30 parsed_1b4c 1
166
;
ave of 3 multiples is 1.21 +/- 0.56 , 5c ovlps 77
back in 980210
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 5 and name C )
( segid="sbm2" and resid 6 and name N ) -0.1500 0.2 0.2
ave of -0.42(6a) and 0.12(6b), out 980311
;
5588 1 5597 43 parsed_1b4c 1
167 "back in 980210, ovlps 79" 5605 1 5605 27 parsed_1b4c 1
168
;
back in 980210
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 11 and name C )
( segid="sbm2" and resid 12 and name N ) 2.7000 0.2 0.2
very wk pk
;
5613 1 5621 12 parsed_1b4c 1
169 "back in 980210" 5629 1 5629 16 parsed_1b4c 1
170
;
back in 980210
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 14 and name C )
( segid="sbm2" and resid 15 and name N ) -0.7500 0.2 0.2
very poor pk shape and weak
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 22 and name C )
( segid="sbm2" and resid 23 and name N ) -0.2700 0.2 0.2
back in 980210, out 980311
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 24 and name C )
( segid="sbm2" and resid 25 and name N ) 1.7400 0.2 0.2
ovlps 51 in LC
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 26 and name C )
( segid="sbm2" and resid 27 and name N ) -1.6400 0.2 0.2
back in 980210, ovlps 54 some in LC
;
5637 1 5669 37 parsed_1b4c 1
171 "peaks in LC ovlp slightly" 5677 1 5677 27 parsed_1b4c 1
172 "back in 980210" 5685 1 5685 16 parsed_1b4c 1
173
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 38 and name C )
( segid="sbm2" and resid 39 and name N ) -0.2900 0.2 0.2
back in 980210, out 980311 - vios
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 40 and name C )
( segid="sbm2" and resid 41 and name N ) -0.06500 0.2 0.2
back in 980210, ave of 41d and 41e, out 980311 - vios
;
5701 1 5715 55 parsed_1b4c 1
174
;
back in 980210, ave of 42d (0.03) and 42e(-0.30)
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 43 and name C )
( segid="sbm2" and resid 44 and name N ) -0.1000 0.2 0.2
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 49 and name C )
( segid="sbm2" and resid 50 and name N ) -1.8000 0.2 0.2
back in 980210, out 980311
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 50 and name C )
( segid="sbm2" and resid 51 and name N ) 0.6100 0.2 0.2
back in 980210, out 980311
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 58 and name C )
( segid="sbm2" and resid 59 and name N ) -1.8200 0.2 0.2
back in 980210, out 980311 - vios
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 65 and name C )
( segid="sbm2" and resid 66 and name N ) -1.4200 0.2 0.2
own peaks ovlp in LC, out 980311 - vios
;
5723 1 5762 41 parsed_1b4c 1
175 "back in 980210" 5770 1 5770 16 parsed_1b4c 1
176
;
back in 980210
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 89 and name C )
( segid="sbm2" and resid 90 and name N ) 0.12000 0.2 0.2
back in 980210
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( segid="sbm2" and resid 90 and name C )
( segid="sbm2" and resid 91 and name N ) 0.1600 0.2 0.2
this is a test file
;
5785 1 5802 21 parsed_1b4c 1
stop_
save_