NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
574114 |
2mjb   |
cing | 2-parsed | STAR | dipolar coupling | 62 |
data_2mjb_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mjb
_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_2mjb 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mjb
_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 2mjb "Master copy" parsed_2mjb
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mjb
_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 2mjb.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mjb 1
1 2mjb.mr . . XPLOR/CNS 2 distance NOE ambi 2727 parsed_2mjb 1
1 2mjb.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 63 parsed_2mjb 1
1 2mjb.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_2mjb 1
1 2mjb.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 63 parsed_2mjb 1
1 2mjb.mr . . unknown 6 unknown "Not applicable" "Not applicable" 0 parsed_2mjb 1
1 2mjb.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 61 parsed_2mjb 1
1 2mjb.mr . . unknown 8 unknown "Not applicable" "Not applicable" 0 parsed_2mjb 1
1 2mjb.mr . . XPLOR/CNS 9 "dipolar coupling" "Not applicable" "Not applicable" 62 parsed_2mjb 1
1 2mjb.mr . . XPLOR/CNS 10 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2mjb 1
1 2mjb.mr . . unknown 11 unknown "Not applicable" "Not applicable" 0 parsed_2mjb 1
1 2mjb.mr . . XPLOR/CNS 12 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2mjb 1
1 2mjb.mr . . unknown 13 unknown "Not applicable" "Not applicable" 0 parsed_2mjb 1
1 2mjb.mr . . XPLOR/CNS 14 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2mjb 1
1 2mjb.mr . . unknown 15 unknown "Not applicable" "Not applicable" 0 parsed_2mjb 1
1 2mjb.mr . . XPLOR/CNS 16 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2mjb 1
1 2mjb.mr . . unknown 17 unknown "Not applicable" "Not applicable" 0 parsed_2mjb 1
1 2mjb.mr . . XPLOR/CNS 18 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2mjb 1
1 2mjb.mr . . unknown 19 unknown "Not applicable" "Not applicable" 0 parsed_2mjb 1
1 2mjb.mr . . XPLOR/CNS 20 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2mjb 1
1 2mjb.mr . . unknown 21 unknown "Not applicable" "Not applicable" 0 parsed_2mjb 1
1 2mjb.mr . . XPLOR/CNS 22 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2mjb 1
1 2mjb.mr . . XPLOR/CNS 23 distance "hydrogen bond" simple 0 parsed_2mjb 1
1 2mjb.mr . . "MR format" 24 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mjb 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_9
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2mjb
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 9
_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 . . . . . . . . . . . . . . . . -16.4200 -16.4200 -16.4200 . . . 1 . CA . 1 . HA parsed_2mjb 1
2 . . . . . . . . . . . . . . . . 7.6090 7.6090 7.6090 . . . 2 . CA . 2 . HA parsed_2mjb 1
3 . . . . . . . . . . . . . . . . 12.1850 12.1850 12.1850 . . . 3 . CA . 3 . HA parsed_2mjb 1
4 . . . . . . . . . . . . . . . . 26.2980 26.2980 26.2980 . . . 4 . CA . 4 . HA parsed_2mjb 1
5 . . . . . . . . . . . . . . . . 23.6130 23.6130 23.6130 . . . 5 . CA . 5 . HA parsed_2mjb 1
6 . . . . . . . . . . . . . . . . 17.9660 17.9660 17.9660 . . . 6 . CA . 6 . HA parsed_2mjb 1
7 . . . . . . . . . . . . . . . . 16.8620 16.8620 16.8620 . . . 7 . CA . 7 . HA parsed_2mjb 1
8 . . . . . . . . . . . . . . . . -11.4530 -11.4530 -11.4530 . . . 9 . CA . 9 . HA parsed_2mjb 1
9 . . . . . . . . . . . . . . . . 9.0170 9.0170 9.0170 . . . 11 . CA . 11 . HA parsed_2mjb 1
10 . . . . . . . . . . . . . . . . 11.3000 11.3000 11.3000 . . . 12 . CA . 12 . HA parsed_2mjb 1
11 . . . . . . . . . . . . . . . . 18.3460 18.3460 18.3460 . . . 13 . CA . 13 . HA parsed_2mjb 1
12 . . . . . . . . . . . . . . . . 24.7330 24.7330 24.7330 . . . 14 . CA . 14 . HA parsed_2mjb 1
13 . . . . . . . . . . . . . . . . 22.8980 22.8980 22.8980 . . . 15 . CA . 15 . HA parsed_2mjb 1
14 . . . . . . . . . . . . . . . . 8.3010 8.3010 8.3010 . . . 16 . CA . 16 . HA parsed_2mjb 1
15 . . . . . . . . . . . . . . . . 17.9190 17.9190 17.9190 . . . 17 . CA . 17 . HA parsed_2mjb 1
16 . . . . . . . . . . . . . . . . -14.9170 -14.9170 -14.9170 . . . 18 . CA . 18 . HA parsed_2mjb 1
17 . . . . . . . . . . . . . . . . -6.8720 -6.8720 -6.8720 . . . 19 . CA . 19 . HA parsed_2mjb 1
18 . . . . . . . . . . . . . . . . 24.8860 24.8860 24.8860 . . . 21 . CA . 21 . HA parsed_2mjb 1
19 . . . . . . . . . . . . . . . . 20.3720 20.3720 20.3720 . . . 22 . CA . 22 . HA parsed_2mjb 1
20 . . . . . . . . . . . . . . . . 6.7800 6.7800 6.7800 . . . 23 . CA . 23 . HA parsed_2mjb 1
21 . . . . . . . . . . . . . . . . -28.1920 -28.1920 -28.1920 . . . 24 . CA . 24 . HA parsed_2mjb 1
22 . . . . . . . . . . . . . . . . 15.1620 15.1620 15.1620 . . . 25 . CA . 25 . HA parsed_2mjb 1
23 . . . . . . . . . . . . . . . . -5.2050 -5.2050 -5.2050 . . . 26 . CA . 26 . HA parsed_2mjb 1
24 . . . . . . . . . . . . . . . . 15.6350 15.6350 15.6350 . . . 27 . CA . 27 . HA parsed_2mjb 1
25 . . . . . . . . . . . . . . . . -36.4040 -36.4040 -36.4040 . . . 28 . CA . 28 . HA parsed_2mjb 1
26 . . . . . . . . . . . . . . . . 23.0280 23.0280 23.0280 . . . 29 . CA . 29 . HA parsed_2mjb 1
27 . . . . . . . . . . . . . . . . 5.2260 5.2260 5.2260 . . . 30 . CA . 30 . HA parsed_2mjb 1
28 . . . . . . . . . . . . . . . . -22.9430 -22.9430 -22.9430 . . . 31 . CA . 31 . HA parsed_2mjb 1
29 . . . . . . . . . . . . . . . . 14.5000 14.5000 14.5000 . . . 33 . CA . 33 . HA parsed_2mjb 1
30 . . . . . . . . . . . . . . . . 16.4780 16.4780 16.4780 . . . 34 . CA . 34 . HA parsed_2mjb 1
31 . . . . . . . . . . . . . . . . -37.9860 -37.9860 -37.9860 . . . 36 . CA . 36 . HA parsed_2mjb 1
32 . . . . . . . . . . . . . . . . -3.4290 -3.4290 -3.4290 . . . 37 . CA . 37 . HA parsed_2mjb 1
33 . . . . . . . . . . . . . . . . 3.8040 3.8040 3.8040 . . . 38 . CA . 38 . HA parsed_2mjb 1
34 . . . . . . . . . . . . . . . . 5.4760 5.4760 5.4760 . . . 39 . CA . 39 . HA parsed_2mjb 1
35 . . . . . . . . . . . . . . . . -11.6040 -11.6040 -11.6040 . . . 40 . CA . 40 . HA parsed_2mjb 1
36 . . . . . . . . . . . . . . . . 11.7480 11.7480 11.7480 . . . 41 . CA . 41 . HA parsed_2mjb 1
37 . . . . . . . . . . . . . . . . 12.5700 12.5700 12.5700 . . . 42 . CA . 42 . HA parsed_2mjb 1
38 . . . . . . . . . . . . . . . . 14.8130 14.8130 14.8130 . . . 43 . CA . 43 . HA parsed_2mjb 1
39 . . . . . . . . . . . . . . . . 16.8520 16.8520 16.8520 . . . 44 . CA . 44 . HA parsed_2mjb 1
40 . . . . . . . . . . . . . . . . 17.0260 17.0260 17.0260 . . . 45 . CA . 45 . HA parsed_2mjb 1
41 . . . . . . . . . . . . . . . . 16.8020 16.8020 16.8020 . . . 46 . CA . 46 . HA parsed_2mjb 1
42 . . . . . . . . . . . . . . . . -14.5340 -14.5340 -14.5340 . . . 48 . CA . 48 . HA parsed_2mjb 1
43 . . . . . . . . . . . . . . . . 17.0350 17.0350 17.0350 . . . 49 . CA . 49 . HA parsed_2mjb 1
44 . . . . . . . . . . . . . . . . 2.1020 2.1020 2.1020 . . . 50 . CA . 50 . HA parsed_2mjb 1
45 . . . . . . . . . . . . . . . . -36.6040 -36.6040 -36.6040 . . . 51 . CA . 51 . HA parsed_2mjb 1
46 . . . . . . . . . . . . . . . . 4.6550 4.6550 4.6550 . . . 52 . CA . 52 . HA parsed_2mjb 1
47 . . . . . . . . . . . . . . . . -3.0650 -3.0650 -3.0650 . . . 54 . CA . 54 . HA parsed_2mjb 1
48 . . . . . . . . . . . . . . . . 12.8990 12.8990 12.8990 . . . 55 . CA . 55 . HA parsed_2mjb 1
49 . . . . . . . . . . . . . . . . -20.8260 -20.8260 -20.8260 . . . 56 . CA . 56 . HA parsed_2mjb 1
50 . . . . . . . . . . . . . . . . 8.9290 8.9290 8.9290 . . . 57 . CA . 57 . HA parsed_2mjb 1
51 . . . . . . . . . . . . . . . . 17.2540 17.2540 17.2540 . . . 59 . CA . 59 . HA parsed_2mjb 1
52 . . . . . . . . . . . . . . . . -20.7590 -20.7590 -20.7590 . . . 60 . CA . 60 . HA parsed_2mjb 1
53 . . . . . . . . . . . . . . . . 18.9480 18.9480 18.9480 . . . 61 . CA . 61 . HA parsed_2mjb 1
54 . . . . . . . . . . . . . . . . 5.4260 5.4260 5.4260 . . . 62 . CA . 62 . HA parsed_2mjb 1
55 . . . . . . . . . . . . . . . . 6.7040 6.7040 6.7040 . . . 63 . CA . 63 . HA parsed_2mjb 1
56 . . . . . . . . . . . . . . . . 6.7840 6.7840 6.7840 . . . 64 . CA . 64 . HA parsed_2mjb 1
57 . . . . . . . . . . . . . . . . 25.4700 25.4700 25.4700 . . . 65 . CA . 65 . HA parsed_2mjb 1
58 . . . . . . . . . . . . . . . . 26.9410 26.9410 26.9410 . . . 66 . CA . 66 . HA parsed_2mjb 1
59 . . . . . . . . . . . . . . . . 23.7840 23.7840 23.7840 . . . 67 . CA . 67 . HA parsed_2mjb 1
60 . . . . . . . . . . . . . . . . 17.0500 17.0500 17.0500 . . . 68 . CA . 68 . HA parsed_2mjb 1
61 . . . . . . . . . . . . . . . . 15.7550 15.7550 15.7550 . . . 69 . CA . 69 . HA parsed_2mjb 1
62 . . . . . . . . . . . . . . . . 13.8650 13.8650 13.8650 . . . 70 . CA . 70 . HA parsed_2mjb 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
;
M1-ch1 val=-16.4200 values=-16.420000
M1-ch3 val=-21.6620 values=21.662001
M1-ch2 val=-10.5075 values=-10.184000 -10.831000
;
7 1 11 51 parsed_2mjb 1
2
;
Q2-ch1 val=7.6090 values=7.609000
Q2-ch2 val=-14.9200 values=-14.920000
Q2-ch2 val=-7.9600 values=-7.960000
;
19 1 23 38 parsed_2mjb 1
3
;
I3-ch1 val=12.1850 values=12.185000
I3-ch3 val=-1.8480 values=1.848000
I3-ch3 val=-14.2890 values=14.289000
;
31 1 35 39 parsed_2mjb 1
4
;
F4-ch1 val=26.2980 values=26.298000
F4-ch2 val=8.2700 values=7.212000 9.328000
;
43 1 45 45 parsed_2mjb 1
5
;
V5-ch1 val=23.6130 values=23.613001
V5-ch3 val=-29.1260 values=29.125999
V5-ch3 val=-4.4770 values=4.477000
;
53 1 57 37 parsed_2mjb 1
6
;
K6-ch1 val=17.9660 values=17.966000
K6-ch2 val=-12.5715 values=-12.539000 -12.604000
K6-ch2 val=-13.2940 values=-13.294000
K6-ch2 val=-13.4215 values=-13.433000 -13.410000
;
65 1 71 51 parsed_2mjb 1
7
;
T7-ch1 val=16.8620 values=16.862000
T7-ch1 val=-27.8780 values=-27.878000
T7-ch3 val=-1.1490 values=1.149000
L8-ch2 val=10.5070 values=10.315000 10.699000
L8-ch3 val=-7.1750 values=7.175000
L8-ch3 val=4.7540 values=-4.754000
L8-ch1 val=-5.1250 values=-5.125000
;
79 1 91 38 parsed_2mjb 1
8
;
T9-ch1 val=-11.4530 values=-11.453000
T9-ch1 val=14.0740 values=14.074000
T9-ch3 val=-17.8540 values=17.854000
;
99 1 103 39 parsed_2mjb 1
9
;
assign ( resid 500 and name OO)
( resid 500 and name Z)
( resid 500 and name X)
( resid 500 and name Y)
( resid 10 and name CA)
( resid 10 and name HA#) 25.4175 0.0000 0.0000
! G10-ch2 val=25.4175 values=25.452999 25.382000
;
104 1 104 1 parsed_2mjb 1
10
;
K11-ch1 val=9.0170 values=9.017000
K11-ch2 val=-13.5035 values=-13.270000 -13.737000
K11-ch2 val=-9.0460 values=-9.046000
K11-ch2 val=-8.0310 values=-8.407000 -7.655000
;
119 1 125 49 parsed_2mjb 1
11
;
T12-ch1 val=11.3000 values=11.300000
T12-ch1 val=10.7700 values=10.770000
T12-ch3 val=-14.2100 values=14.210000
;
133 1 137 40 parsed_2mjb 1
12
;
I13-ch1 val=18.3460 values=18.346001
I13-ch1 val=15.2810 values=15.281000
I13-ch3 val=-0.8110 values=0.811000
I13-ch3 val=4.2910 values=-4.291000
;
145 1 151 38 parsed_2mjb 1
13
;
T14-ch1 val=24.7330 values=24.733000
T14-ch1 val=14.8510 values=14.851000
T14-ch3 val=-20.9350 values=20.934999
;
159 1 163 40 parsed_2mjb 1
14
;
L15-ch1 val=22.8980 values=22.898001
L15-ch2 val=31.8975 values=31.964001 31.830999
L15-ch3 val=11.5980 values=-11.598000
;
171 1 175 40 parsed_2mjb 1
15
;
E16-ch1 val=8.3010 values=8.301000
E16-ch2 val=6.3575 values=6.499000 6.216000
E16-ch2 val=18.2715 values=18.537001 18.006001
;
183 1 187 49 parsed_2mjb 1
16
;
V17-ch1 val=17.9190 values=17.919001
V17-ch3 val=-28.5110 values=28.511000
V17-ch3 val=17.2740 values=-17.274000
;
195 1 199 40 parsed_2mjb 1
17
;
E18-ch1 val=-14.9170 values=-14.917000
E18-ch2 val=-25.0837 values=-24.329000 -24.112000 -25.327999 -26.566000
E18-ch2 val=6.7505 values=6.908000 6.593000
;
207 1 211 46 parsed_2mjb 1
18
;
P19-ch1 val=-6.8720 values=-6.872000
P19-ch2 val=21.5830 values=21.684999 21.481001
P19-ch2 val=-18.8950 values=-18.895000
S20-ch2 val=-7.3207 values=-7.429000 -7.258000 -7.275000
;
219 1 225 59 parsed_2mjb 1
19
;
D21-ch1 val=24.8860 values=24.886000
D21-ch2 val=-21.1605 values=-21.020000 -21.301001
;
233 1 235 52 parsed_2mjb 1
20
;
T22-ch1 val=20.3720 values=20.372000
T22-ch1 val=-17.7980 values=-17.798000
T22-ch3 val=-2.9040 values=2.904000
;
243 1 247 38 parsed_2mjb 1
21
;
I23-ch1 val=6.7800 values=6.780000
I23-ch1 val=10.3140 values=10.314000
I23-ch3 val=4.7740 values=-4.774000
I23-ch2 val=-0.8130 values=-1.081000 -0.545000
I23-ch3 val=-22.0290 values=22.028999
;
255 1 263 40 parsed_2mjb 1
22
;
E24-ch1 val=-28.1920 values=-28.191999
E24-ch2 val=-12.1300 values=-12.130000
E24-ch2 val=-5.0340 values=-5.310000 -4.758000
;
271 1 275 49 parsed_2mjb 1
23
;
N25-ch1 val=15.1620 values=15.162000
N25-ch2 val=22.4175 values=22.490000 22.344999
;
283 1 285 49 parsed_2mjb 1
24
;
V26-ch1 val=-5.2050 values=-5.205000
V26-ch1 val=-2.7790 values=-2.779000
V26-ch3 val=13.3600 values=-13.360000
V26-ch3 val=-34.5910 values=34.591000
;
293 1 299 40 parsed_2mjb 1
25
;
K27-ch1 val=15.6350 values=15.635000
K27-ch2 val=-12.9125 values=-12.153000 -13.672000
K27-ch2 val=-10.5870 values=-10.587000
K27-ch2 val=28.4600 values=28.212000 28.708000
;
307 1 313 49 parsed_2mjb 1
26
;
A28-ch1 val=-36.4040 values=-36.403999
A28-ch3 val=3.0000 values=-3.000000
;
321 1 323 38 parsed_2mjb 1
27
;
K29-ch1 val=23.0280 values=23.028000
K29-ch2 val=26.3010 values=26.301001
K29-ch2 val=14.6780 values=14.678000
;
331 1 335 39 parsed_2mjb 1
28
;
I30-ch1 val=5.2260 values=5.226000
I30-ch1 val=11.7760 values=11.776000
I30-ch3 val=18.2170 values=-18.216999
I30-ch2 val=-5.8790 values=-5.879000
I30-ch3 val=-18.7680 values=18.768000
;
343 1 351 40 parsed_2mjb 1
29
;
Q31-ch1 val=-22.9430 values=-22.943001
Q31-ch2 val=-9.8110 values=-9.811000
Q31-ch2 val=-7.6600 values=-7.701000 -7.619000
D32-ch2 val=18.8520 values=18.851999
;
359 1 365 39 parsed_2mjb 1
30
;
K33-ch1 val=14.5000 values=14.500000
K33-ch2 val=20.8190 values=20.757000 20.881001
K33-ch2 val=17.0990 values=17.099001
K33-ch2 val=13.6080 values=13.608000
K33-ch2 val=22.1710 values=22.171000
;
373 1 381 39 parsed_2mjb 1
31
;
E34-ch1 val=16.4780 values=16.478001
E34-ch2 val=-17.1470 values=-17.964001 -16.330000
E34-ch2 val=8.7730 values=8.773000
;
389 1 393 37 parsed_2mjb 1
32
;
assign ( resid 500 and name OO)
( resid 500 and name Z)
( resid 500 and name X)
( resid 500 and name Y)
( resid 35 and name CA)
( resid 35 and name HA#) 16.1235 0.0000 0.0000
! G35-ch2 val=16.1235 values=16.230000 16.017000
;
394 1 394 1 parsed_2mjb 1
33
;
I36-ch1 val=-37.9860 values=-37.986000
I36-ch1 val=-33.2470 values=-33.247002
I36-ch3 val=-4.6110 values=4.611000
I36-ch3 val=-0.7670 values=0.767000
;
409 1 415 38 parsed_2mjb 1
34
;
P37-ch1 val=-3.4290 values=-3.429000
P37-ch2 val=31.2950 values=31.368999 31.221001
P37-ch2 val=-13.3880 values=-13.388000
;
423 1 427 41 parsed_2mjb 1
35
;
P38-ch1 val=3.8040 values=3.804000
P38-ch2 val=8.2410 values=8.241000
P38-ch2 val=-3.8770 values=-3.877000
;
435 1 439 39 parsed_2mjb 1
36
;
D39-ch1 val=5.4760 values=5.476000
D39-ch2 val=4.5755 values=4.530000 4.621000
;
447 1 449 46 parsed_2mjb 1
37
;
Q40-ch1 val=-11.6040 values=-11.604000
Q40-ch2 val=5.9250 values=5.925000
Q40-ch2 val=12.3350 values=12.335000
;
457 1 461 39 parsed_2mjb 1
38
;
Q41-ch1 val=11.7480 values=11.748000
Q41-ch2 val=5.8290 values=5.829000
;
469 1 471 37 parsed_2mjb 1
39
;
R42-ch1 val=12.5700 values=12.570000
R42-ch2 val=11.0390 values=11.007000 11.071000
R42-ch2 val=5.5520 values=5.552000
;
479 1 483 37 parsed_2mjb 1
40
;
L43-ch1 val=14.8130 values=14.813000
L43-ch2 val=-4.1140 values=-4.114000
L43-ch3 val=-9.8150 values=9.815000
L43-ch3 val=9.5000 values=-9.500000
;
491 1 497 38 parsed_2mjb 1
41
;
I44-ch1 val=16.8520 values=16.851999
I44-ch1 val=15.4970 values=15.497000
I44-ch3 val=-5.4430 values=5.443000
I44-ch2 val=30.8570 values=30.857000
I44-ch3 val=20.0240 values=-20.024000
;
505 1 513 40 parsed_2mjb 1
42
;
F45-ch1 val=17.0260 values=17.025999
F45-ch2 val=40.9320 values=41.067001 41.382000 40.347000
;
521 1 523 59 parsed_2mjb 1
43
;
A46-ch1 val=16.8020 values=16.802000
A46-ch3 val=-28.5610 values=28.561001
;
531 1 533 40 parsed_2mjb 1
44
;
assign ( resid 500 and name OO)
( resid 500 and name Z)
( resid 500 and name X)
( resid 500 and name Y)
( resid 47 and name CA)
( resid 47 and name HA#) 7.6990 0.0000 0.0000
! G47-ch2 val=7.6990 values=7.826000 7.572000
;
534 1 534 1 parsed_2mjb 1
45
;
K48-ch1 val=-14.5340 values=-14.534000
K48-ch2 val=8.5390 values=8.539000
K48-ch2 val=3.5910 values=3.591000
K48-ch2 val=0.8070 values=0.807000
K48-ch2 val=0.4770 values=0.477000
;
549 1 557 37 parsed_2mjb 1
46
;
Q49-ch1 val=17.0350 values=17.035000
Q49-ch2 val=25.0790 values=25.079000
Q49-ch2 val=12.7450 values=12.745000
;
565 1 569 39 parsed_2mjb 1
47
;
L50-ch1 val=2.1020 values=2.102000
L50-ch2 val=-5.7340 values=-5.706000 -5.762000
L50-ch3 val=0.5800 values=-0.580000
L50-ch3 val=3.3880 values=-3.388000
L50-ch1 val=-14.1220 values=-14.122000
;
577 1 585 41 parsed_2mjb 1
48
;
E51-ch1 val=-36.6040 values=-36.604000
E51-ch2 val=-19.3470 values=-19.429001 -19.264999
E51-ch2 val=-0.2000 values=-0.200000
;
593 1 597 39 parsed_2mjb 1
49
;
D52-ch1 val=4.6550 values=4.655000
D52-ch2 val=17.7295 values=17.011999 18.447001
;
605 1 607 49 parsed_2mjb 1
50
;
assign ( resid 500 and name OO)
( resid 500 and name Z)
( resid 500 and name X)
( resid 500 and name Y)
( resid 53 and name CA)
( resid 53 and name HA#) 29.1760 0.0000 0.0000
! G53-ch2 val=29.1760 values=28.709999 29.642000
;
608 1 608 1 parsed_2mjb 1
51
;
R54-ch1 val=-3.0650 values=-3.065000
R54-ch2 val=-6.1905 values=-6.238000 -6.143000
R54-ch2 val=-13.1280 values=-12.735000 -13.521000
;
623 1 627 52 parsed_2mjb 1
52
;
T55-ch1 val=12.8990 values=12.899000
T55-ch1 val=2.5940 values=2.594000
T55-ch3 val=19.1080 values=-19.108000
;
635 1 639 40 parsed_2mjb 1
53
;
L56-ch1 val=-20.8260 values=-20.826000
L56-ch2 val=-4.7250 values=-4.617000 -4.833000
L56-ch3 val=-14.2760 values=14.276000
L56-ch1 val=15.1140 values=15.114000
;
647 1 653 39 parsed_2mjb 1
54
;
S57-ch1 val=8.9290 values=8.929000
S57-ch2 val=12.4205 values=12.436000 12.405000
D58-ch2 val=1.1525 values=1.382000 0.923000
;
661 1 665 46 parsed_2mjb 1
55
;
Y59-ch1 val=17.2540 values=17.254000
Y59-ch2 val=37.2218 values=37.435001 39.445000 36.182999 35.824001
;
673 1 675 69 parsed_2mjb 1
56
;
N60-ch1 val=-20.7590 values=-20.759001
N60-ch2 val=-10.5545 values=-10.654000 -10.675000 -10.593000 -10.296000
;
683 1 685 74 parsed_2mjb 1
57
;
I61-ch1 val=18.9480 values=18.948000
I61-ch1 val=17.5490 values=17.549000
I61-ch3 val=-12.4080 values=12.408000
I61-ch2 val=34.2115 values=34.332001 34.091000
I61-ch3 val=15.8410 values=-15.841000
;
693 1 701 40 parsed_2mjb 1
58
;
Q62-ch1 val=5.4260 values=5.426000
Q62-ch2 val=-20.8790 values=-20.681000 -21.077000
Q62-ch2 val=-13.2400 values=-13.240000
;
709 1 713 41 parsed_2mjb 1
59
;
K63-ch1 val=6.7040 values=6.704000
K63-ch2 val=26.4620 values=27.448999 25.475000
K63-ch2 val=22.7930 values=22.792999
K63-ch2 val=8.5250 values=8.525000
K63-ch2 val=25.6110 values=25.611000
;
721 1 729 39 parsed_2mjb 1
60
;
E64-ch1 val=6.7840 values=6.784000
E64-ch2 val=4.9580 values=5.114000 4.802000
E64-ch2 val=-6.4820 values=-6.630000 -6.334000
;
737 1 741 49 parsed_2mjb 1
61
;
S65-ch1 val=25.4700 values=25.469999
S65-ch2 val=-4.5680 values=-4.303000 -4.833000
;
749 1 751 49 parsed_2mjb 1
62
;
T66-ch1 val=26.9410 values=26.941000
T66-ch1 val=24.3240 values=24.323999
;
759 1 761 39 parsed_2mjb 1
63
;
L67-ch1 val=23.7840 values=23.784000
L67-ch3 val=-6.8890 values=6.889000
L67-ch3 val=16.0200 values=-16.020000
L67-ch1 val=4.1930 values=4.193000
;
769 1 775 37 parsed_2mjb 1
64
;
H68-ch1 val=17.0500 values=17.049999
H68-ch2 val=-19.4268 values=-19.275999 -20.186001 -18.929001 -19.316000
;
783 1 785 74 parsed_2mjb 1
65
;
L69-ch1 val=15.7550 values=15.755000
L69-ch3 val=2.6550 values=-2.655000
L69-ch3 val=18.2170 values=-18.216999
;
793 1 797 40 parsed_2mjb 1
66
;
V70-ch1 val=13.8650 values=13.865000
V70-ch1 val=-10.1820 values=-10.182000
V70-ch3 val=8.2060 values=-8.206000
;
805 1 809 38 parsed_2mjb 1
stop_
save_
Contact the webmaster for help, if required. Saturday, May 4, 2024 1:50:50 PM GMT (wattos1)