NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
630669 |
6cou   |
30433 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6cou
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 281
_Distance_constraint_stats_list.Viol_count 2098
_Distance_constraint_stats_list.Viol_total 10733.484
_Distance_constraint_stats_list.Viol_max 0.611
_Distance_constraint_stats_list.Viol_rms 0.1525
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0955
_Distance_constraint_stats_list.Viol_average_violations_only 0.2558
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 MET 6.221 0.360 6 0 "[ . 1 . 2]"
1 3 ARG 33.413 0.402 10 0 "[ . 1 . 2]"
1 4 ILE 56.888 0.513 14 2 "[ . - 1 +. 2]"
1 5 SER 51.166 0.513 14 2 "[ . - 1 +. 2]"
1 6 ARG 52.356 0.490 5 0 "[ . 1 . 2]"
1 7 ILE 69.524 0.565 8 7 "[ * . *+-1* * * 2]"
1 8 ILE 84.649 0.590 5 9 "[* *+ 1 * *. ****]"
1 9 LEU 77.233 0.565 8 10 "[ * * *+*1*** * -2]"
1 11 PHE 113.996 0.608 5 8 "[ *+ **1 * . -**]"
1 12 LEU 139.849 0.611 5 11 "[** *+- 1 * *. ****]"
1 13 PHE 90.976 0.611 5 14 "[ ** +-******* ** *2]"
1 14 LEU 76.635 0.553 5 14 "[ *- +******** ** *2]"
1 15 ARG 69.499 0.593 1 15 "[+ -*.****** ****** 2]"
1 16 LYS 46.463 0.561 4 1 "[ +. 1 . 2]"
1 17 LYS 27.689 0.561 4 1 "[ +. 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 MET HA 1 2 MET QB 2.500 . 3.400 2.437 2.403 2.565 . 0 0 "[ . 1 . 2]" 1
2 1 2 MET HA 1 2 MET QG 2.900 . 3.800 2.496 2.288 2.857 . 0 0 "[ . 1 . 2]" 1
3 1 2 MET HA 1 3 ARG H 2.600 . 3.500 2.377 2.286 3.565 0.065 20 0 "[ . 1 . 2]" 1
4 1 2 MET QB 1 3 ARG H 2.900 . 3.900 3.156 2.513 3.966 0.066 1 0 "[ . 1 . 2]" 1
5 1 2 MET QB 1 4 ILE H 2.900 . 3.900 3.122 3.002 3.395 . 0 0 "[ . 1 . 2]" 1
6 1 2 MET QB 1 5 SER H 2.900 . 3.900 4.193 4.111 4.260 0.360 6 0 "[ . 1 . 2]" 1
7 1 2 MET QG 1 3 ARG H 3.300 2.100 4.300 4.010 2.641 4.538 0.238 1 0 "[ . 1 . 2]" 1
8 1 3 ARG H 1 3 ARG HA 2.500 . 3.400 2.859 2.153 2.907 . 0 0 "[ . 1 . 2]" 1
9 1 3 ARG H 1 3 ARG QB 2.600 . 3.500 2.393 2.307 2.988 . 0 0 "[ . 1 . 2]" 1
10 1 3 ARG H 1 3 ARG QD 3.300 2.100 4.500 4.622 3.841 4.795 0.295 18 0 "[ . 1 . 2]" 1
11 1 3 ARG H 1 3 ARG QG 2.900 . 3.900 4.012 3.953 4.156 0.256 20 0 "[ . 1 . 2]" 1
12 1 3 ARG H 1 4 ILE H 3.100 . 4.200 3.531 2.755 3.682 . 0 0 "[ . 1 . 2]" 1
13 1 3 ARG H 1 4 ILE MD 2.900 . 3.900 3.349 3.188 3.939 0.039 20 0 "[ . 1 . 2]" 1
14 1 3 ARG HA 1 3 ARG QB 2.500 . 3.400 2.485 2.417 2.522 . 0 0 "[ . 1 . 2]" 1
15 1 3 ARG HA 1 3 ARG QD 2.800 . 3.800 3.679 2.174 4.163 0.363 3 0 "[ . 1 . 2]" 1
16 1 3 ARG HA 1 3 ARG QG 2.600 . 3.500 2.268 2.067 2.728 . 0 0 "[ . 1 . 2]" 1
17 1 3 ARG HA 1 4 ILE H 2.800 . 3.800 2.365 2.320 2.437 . 0 0 "[ . 1 . 2]" 1
18 1 3 ARG HA 1 4 ILE HA 3.000 . 4.100 4.288 4.250 4.303 0.203 15 0 "[ . 1 . 2]" 1
19 1 3 ARG HA 1 4 ILE MD 2.800 . 3.800 4.093 4.062 4.158 0.358 20 0 "[ . 1 . 2]" 1
20 1 3 ARG HA 1 4 ILE QG 2.800 . 3.800 3.942 3.894 3.984 0.184 20 0 "[ . 1 . 2]" 1
21 1 3 ARG HA 1 5 SER H 3.000 . 4.000 3.096 3.042 3.126 . 0 0 "[ . 1 . 2]" 1
22 1 3 ARG HA 1 7 ILE MD 2.900 . 3.900 3.413 3.072 3.738 . 0 0 "[ . 1 . 2]" 1
23 1 3 ARG QB 1 3 ARG QD 2.400 . 3.200 2.228 2.130 2.669 . 0 0 "[ . 1 . 2]" 1
24 1 3 ARG QB 1 4 ILE H 2.900 . 3.900 4.011 4.001 4.028 0.128 8 0 "[ . 1 . 2]" 1
25 1 3 ARG QB 1 5 SER H 3.000 . 4.600 4.966 4.919 5.002 0.402 10 0 "[ . 1 . 2]" 1
26 1 3 ARG QD 1 7 ILE MD 2.400 . 3.200 3.207 2.675 3.405 0.205 4 0 "[ . 1 . 2]" 1
27 1 3 ARG QG 1 4 ILE H 2.900 . 3.900 3.910 3.820 3.991 0.091 2 0 "[ . 1 . 2]" 1
28 1 3 ARG QG 1 5 SER H 3.000 . 4.100 4.174 4.117 4.335 0.235 14 0 "[ . 1 . 2]" 1
29 1 4 ILE H 1 4 ILE HA 2.700 . 3.600 2.924 2.920 2.927 . 0 0 "[ . 1 . 2]" 1
30 1 4 ILE H 1 4 ILE HB 2.700 . 3.600 3.665 3.653 3.681 0.081 14 0 "[ . 1 . 2]" 1
31 1 4 ILE H 1 4 ILE MD 2.800 . 3.800 2.786 2.742 2.864 . 0 0 "[ . 1 . 2]" 1
32 1 4 ILE H 1 4 ILE QG 2.900 . 3.900 1.916 1.899 1.966 0.001 12 0 "[ . 1 . 2]" 1
33 1 4 ILE H 1 5 SER H 2.800 . 3.800 1.646 1.593 1.680 0.207 4 0 "[ . 1 . 2]" 1
34 1 4 ILE H 1 5 SER HA 3.300 2.100 4.500 4.371 4.327 4.405 . 0 0 "[ . 1 . 2]" 1
35 1 4 ILE H 1 7 ILE MD 2.400 . 3.200 3.239 3.061 3.355 0.155 2 0 "[ . 1 . 2]" 1
36 1 4 ILE HA 1 4 ILE HB 2.400 . 3.200 2.481 2.471 2.505 . 0 0 "[ . 1 . 2]" 1
37 1 4 ILE HA 1 4 ILE MD 2.500 . 3.400 2.301 2.282 2.318 . 0 0 "[ . 1 . 2]" 1
38 1 4 ILE HA 1 4 ILE QG 2.800 . 3.500 3.285 3.268 3.292 . 0 0 "[ . 1 . 2]" 1
39 1 4 ILE HA 1 5 SER H 2.800 . 3.800 3.432 3.406 3.452 . 0 0 "[ . 1 . 2]" 1
40 1 4 ILE HA 1 7 ILE MD 2.400 . 3.200 2.127 1.982 2.356 . 0 0 "[ . 1 . 2]" 1
41 1 4 ILE HB 1 4 ILE MD 2.400 . 3.200 2.019 2.008 2.044 . 0 0 "[ . 1 . 2]" 1
42 1 4 ILE HB 1 4 ILE QG 2.500 . 3.400 2.381 2.376 2.392 . 0 0 "[ . 1 . 2]" 1
43 1 4 ILE HB 1 5 SER H 2.600 . 3.500 3.965 3.916 4.013 0.513 14 2 "[ . - 1 +. 2]" 1
44 1 4 ILE HB 1 5 SER HA 2.800 . 4.100 4.420 4.366 4.448 0.348 9 0 "[ . 1 . 2]" 1
45 1 4 ILE HB 1 8 ILE MD 2.900 . 3.900 4.094 4.051 4.139 0.239 4 0 "[ . 1 . 2]" 1
46 1 4 ILE MD 1 5 SER H 2.600 . 3.500 3.619 3.598 3.680 0.180 14 0 "[ . 1 . 2]" 1
47 1 4 ILE QG 1 5 SER H 2.900 . 3.900 2.352 2.284 2.447 . 0 0 "[ . 1 . 2]" 1
48 1 4 ILE QG 1 7 ILE MD 2.700 . 3.600 3.970 3.902 4.093 0.493 6 0 "[ . 1 . 2]" 1
49 1 4 ILE QG 1 8 ILE MD 2.800 . 3.800 4.142 4.086 4.198 0.398 20 0 "[ . 1 . 2]" 1
50 1 5 SER H 1 5 SER HA 2.700 . 3.600 2.930 2.922 2.935 . 0 0 "[ . 1 . 2]" 1
51 1 5 SER H 1 5 SER QB 2.600 . 3.500 2.754 2.551 3.064 . 0 0 "[ . 1 . 2]" 1
52 1 5 SER H 1 6 ARG H 3.000 . 4.000 2.631 2.445 2.834 . 0 0 "[ . 1 . 2]" 1
53 1 5 SER H 1 7 ILE MD 3.100 . 4.200 3.017 2.752 3.094 . 0 0 "[ . 1 . 2]" 1
54 1 5 SER H 1 8 ILE MD 3.200 2.100 4.300 3.956 3.790 4.043 . 0 0 "[ . 1 . 2]" 1
55 1 5 SER HA 1 5 SER QB 2.400 . 3.200 2.350 2.236 2.482 . 0 0 "[ . 1 . 2]" 1
56 1 5 SER HA 1 6 ARG H 2.800 . 3.800 2.998 2.884 3.120 . 0 0 "[ . 1 . 2]" 1
57 1 5 SER HA 1 6 ARG QB 3.000 . 4.400 4.758 4.678 4.890 0.490 5 0 "[ . 1 . 2]" 1
58 1 5 SER HA 1 7 ILE H 3.200 2.100 4.300 3.294 3.060 3.469 . 0 0 "[ . 1 . 2]" 1
59 1 5 SER HA 1 7 ILE HB 3.000 . 5.100 5.219 5.132 5.385 0.285 5 0 "[ . 1 . 2]" 1
60 1 5 SER HA 1 8 ILE H 2.900 . 3.900 3.591 3.430 3.685 . 0 0 "[ . 1 . 2]" 1
61 1 5 SER HA 1 8 ILE HB 2.600 . 3.500 3.791 3.660 3.885 0.385 2 0 "[ . 1 . 2]" 1
62 1 5 SER HA 1 8 ILE QG 3.000 . 4.100 4.014 3.977 4.065 . 0 0 "[ . 1 . 2]" 1
63 1 6 ARG H 1 6 ARG HA 2.800 . 3.800 2.855 2.825 2.880 . 0 0 "[ . 1 . 2]" 1
64 1 6 ARG H 1 6 ARG QB 2.600 . 3.500 2.606 2.493 2.756 . 0 0 "[ . 1 . 2]" 1
65 1 6 ARG H 1 6 ARG QD 3.000 . 4.000 4.302 4.260 4.362 0.362 4 0 "[ . 1 . 2]" 1
66 1 6 ARG H 1 6 ARG QG 2.600 . 3.700 4.091 4.028 4.179 0.479 11 0 "[ . 1 . 2]" 1
67 1 6 ARG H 1 7 ILE H 2.900 . 3.900 2.185 1.882 2.413 0.018 18 0 "[ . 1 . 2]" 1
68 1 6 ARG H 1 7 ILE HA 2.600 . 4.000 4.274 4.189 4.391 0.391 5 0 "[ . 1 . 2]" 1
69 1 6 ARG HA 1 6 ARG QB 2.500 . 3.400 2.392 2.336 2.543 . 0 0 "[ . 1 . 2]" 1
70 1 6 ARG HA 1 6 ARG QD 2.600 . 3.500 2.114 2.022 2.334 . 0 0 "[ . 1 . 2]" 1
71 1 6 ARG HA 1 6 ARG QG 2.500 . 3.400 3.010 2.236 3.233 . 0 0 "[ . 1 . 2]" 1
72 1 6 ARG HA 1 7 ILE H 2.900 . 3.900 2.783 2.618 3.025 . 0 0 "[ . 1 . 2]" 1
73 1 6 ARG HA 1 7 ILE HA 3.200 2.100 4.300 4.289 4.226 4.351 0.051 18 0 "[ . 1 . 2]" 1
74 1 6 ARG HA 1 7 ILE MD 2.700 . 3.600 3.861 3.792 3.938 0.338 1 0 "[ . 1 . 2]" 1
75 1 6 ARG HA 1 8 ILE MD 2.600 . 3.500 3.787 3.730 3.857 0.357 16 0 "[ . 1 . 2]" 1
76 1 6 ARG HA 1 9 LEU H 2.900 . 3.900 3.131 2.721 3.898 . 0 0 "[ . 1 . 2]" 1
77 1 6 ARG HA 1 9 LEU QB 2.500 . 3.000 1.946 1.814 2.146 . 0 0 "[ . 1 . 2]" 1
78 1 6 ARG QB 1 6 ARG QD 3.000 . 4.000 2.884 2.660 2.949 . 0 0 "[ . 1 . 2]" 1
79 1 6 ARG QB 1 6 ARG HE 2.300 . 3.100 2.752 2.563 2.812 . 0 0 "[ . 1 . 2]" 1
80 1 6 ARG QB 1 7 ILE H 2.900 . 3.900 3.854 3.757 3.947 0.047 15 0 "[ . 1 . 2]" 1
81 1 6 ARG QD 1 7 ILE HA 2.600 . 3.500 3.872 3.792 3.969 0.469 18 0 "[ . 1 . 2]" 1
82 1 6 ARG QD 1 8 ILE HA 2.700 . 6.000 6.137 5.983 6.240 0.240 11 0 "[ . 1 . 2]" 1
83 1 6 ARG QD 1 8 ILE MD 2.500 . 4.700 4.909 4.859 5.010 0.310 4 0 "[ . 1 . 2]" 1
84 1 6 ARG QD 1 9 LEU HA 3.200 2.100 4.700 4.524 4.358 4.608 . 0 0 "[ . 1 . 2]" 1
85 1 6 ARG QD 1 9 LEU QB 2.900 . 3.900 2.266 1.887 2.547 0.013 12 0 "[ . 1 . 2]" 1
86 1 6 ARG HE 1 6 ARG QG 2.900 . 3.900 3.203 3.099 3.237 . 0 0 "[ . 1 . 2]" 1
87 1 7 ILE H 1 7 ILE HA 2.600 . 3.500 2.895 2.878 2.911 . 0 0 "[ . 1 . 2]" 1
88 1 7 ILE H 1 7 ILE HB 2.500 . 3.400 2.998 2.773 3.263 . 0 0 "[ . 1 . 2]" 1
89 1 7 ILE H 1 7 ILE MD 2.700 . 3.600 2.232 1.873 2.794 . 0 0 "[ . 1 . 2]" 1
90 1 7 ILE H 1 7 ILE MD 2.600 . 3.500 2.207 1.869 2.725 . 0 0 "[ . 1 . 2]" 1
91 1 7 ILE H 1 7 ILE QG 2.500 . 3.400 2.518 1.727 3.002 . 0 0 "[ . 1 . 2]" 1
92 1 7 ILE H 1 8 ILE H 2.700 . 3.600 1.596 1.560 1.652 0.240 9 0 "[ . 1 . 2]" 1
93 1 7 ILE H 1 8 ILE HA 3.100 . 4.200 4.215 4.116 4.301 0.101 18 0 "[ . 1 . 2]" 1
94 1 7 ILE H 1 8 ILE HB 3.000 . 4.000 3.810 3.692 3.919 . 0 0 "[ . 1 . 2]" 1
95 1 7 ILE H 1 8 ILE MD 3.000 . 4.100 2.059 1.864 2.223 0.036 4 0 "[ . 1 . 2]" 1
96 1 7 ILE H 1 8 ILE MD 2.600 . 3.500 2.057 1.863 2.220 . 0 0 "[ . 1 . 2]" 1
97 1 7 ILE H 1 9 LEU H 3.200 2.100 4.300 2.798 2.253 3.512 . 0 0 "[ . 1 . 2]" 1
98 1 7 ILE HA 1 7 ILE HB 2.400 . 3.200 2.964 2.839 3.024 . 0 0 "[ . 1 . 2]" 1
99 1 7 ILE HA 1 7 ILE QG 2.400 . 3.200 2.845 2.517 3.374 0.174 20 0 "[ . 1 . 2]" 1
100 1 7 ILE HA 1 8 ILE H 2.800 . 3.800 3.383 3.199 3.501 . 0 0 "[ . 1 . 2]" 1
101 1 7 ILE HA 1 8 ILE MD 2.400 . 3.800 4.116 4.009 4.197 0.397 8 0 "[ . 1 . 2]" 1
102 1 7 ILE HA 1 9 LEU QB 3.700 2.400 5.000 4.690 4.158 5.095 0.095 16 0 "[ . 1 . 2]" 1
103 1 7 ILE HA 1 11 PHE H 2.700 . 4.000 4.275 4.050 4.444 0.444 3 0 "[ . 1 . 2]" 1
104 1 7 ILE HB 1 7 ILE MD 2.500 . 3.400 2.589 2.143 3.266 . 0 0 "[ . 1 . 2]" 1
105 1 7 ILE HB 1 7 ILE MD 2.400 . 3.200 2.030 1.930 2.150 . 0 0 "[ . 1 . 2]" 1
106 1 7 ILE HB 1 8 ILE H 2.700 . 3.600 3.049 2.551 3.670 0.070 20 0 "[ . 1 . 2]" 1
107 1 7 ILE HB 1 8 ILE HA 3.000 . 4.100 4.171 3.880 4.438 0.338 18 0 "[ . 1 . 2]" 1
108 1 7 ILE HB 1 8 ILE MD 2.800 . 3.800 2.700 2.513 3.121 . 0 0 "[ . 1 . 2]" 1
109 1 7 ILE MD 1 8 ILE HA 2.800 . 5.400 5.290 4.938 5.829 0.429 4 0 "[ . 1 . 2]" 1
110 1 7 ILE QG 1 8 ILE H 2.900 . 3.900 3.483 2.342 4.091 0.191 19 0 "[ . 1 . 2]" 1
111 1 7 ILE QG 1 9 LEU QB 2.500 . 4.900 5.307 5.156 5.465 0.565 8 7 "[ * . *+-1* * * 2]" 1
112 1 7 ILE QG 1 9 LEU QD 2.400 . 5.100 5.348 4.864 5.584 0.484 1 0 "[ . 1 . 2]" 1
113 1 8 ILE H 1 8 ILE HA 2.700 . 3.600 2.857 2.812 2.904 . 0 0 "[ . 1 . 2]" 1
114 1 8 ILE H 1 8 ILE HB 2.600 . 3.500 2.647 2.552 2.696 . 0 0 "[ . 1 . 2]" 1
115 1 8 ILE H 1 8 ILE MD 2.600 . 3.500 1.682 1.594 1.852 0.106 8 0 "[ . 1 . 2]" 1
116 1 8 ILE H 1 8 ILE MD 2.400 . 3.200 1.680 1.593 1.849 0.007 8 0 "[ . 1 . 2]" 1
117 1 8 ILE H 1 8 ILE QG 2.700 . 3.600 2.657 2.380 2.932 . 0 0 "[ . 1 . 2]" 1
118 1 8 ILE H 1 9 LEU H 2.700 . 3.600 2.239 1.771 2.417 0.029 5 0 "[ . 1 . 2]" 1
119 1 8 ILE HA 1 8 ILE HB 2.600 . 3.500 3.039 3.025 3.056 . 0 0 "[ . 1 . 2]" 1
120 1 8 ILE HA 1 8 ILE MD 2.500 . 3.400 3.533 3.469 3.571 0.171 14 0 "[ . 1 . 2]" 1
121 1 8 ILE HA 1 8 ILE MD 2.500 . 3.400 2.173 2.138 2.239 . 0 0 "[ . 1 . 2]" 1
122 1 8 ILE HA 1 8 ILE QG 2.500 . 3.400 2.541 2.473 2.629 . 0 0 "[ . 1 . 2]" 1
123 1 8 ILE HA 1 9 LEU H 2.800 . 3.800 3.211 2.607 3.577 . 0 0 "[ . 1 . 2]" 1
124 1 8 ILE HA 1 11 PHE H 2.900 . 3.900 3.250 3.190 3.346 . 0 0 "[ . 1 . 2]" 1
125 1 8 ILE HA 1 11 PHE HA 3.000 . 4.700 4.863 4.843 4.897 0.197 14 0 "[ . 1 . 2]" 1
126 1 8 ILE HA 1 11 PHE QE 2.900 . 3.900 4.196 4.066 4.275 0.375 16 0 "[ . 1 . 2]" 1
127 1 8 ILE HA 1 12 LEU H 2.800 . 3.800 4.068 4.025 4.112 0.312 6 0 "[ . 1 . 2]" 1
128 1 8 ILE HA 1 12 LEU QB 3.000 . 4.900 5.283 5.232 5.490 0.590 5 3 "[ + 1 * . -2]" 1
129 1 8 ILE HB 1 8 ILE MD 2.400 . 3.200 1.945 1.920 1.974 . 0 0 "[ . 1 . 2]" 1
130 1 8 ILE HB 1 8 ILE QG 2.600 . 3.500 2.511 2.494 2.534 . 0 0 "[ . 1 . 2]" 1
131 1 8 ILE HB 1 9 LEU QD 2.400 . 3.200 2.509 2.199 3.036 . 0 0 "[ . 1 . 2]" 1
132 1 8 ILE MD 1 11 PHE QB 2.600 . 3.500 3.294 3.252 3.334 . 0 0 "[ . 1 . 2]" 1
133 1 8 ILE QG 1 9 LEU H 3.000 . 4.000 4.081 3.996 4.145 0.145 20 0 "[ . 1 . 2]" 1
134 1 8 ILE QG 1 12 LEU H 3.000 . 5.600 6.106 6.057 6.166 0.566 14 9 "[* *- 1 * +. ****]" 1
135 1 9 LEU H 1 9 LEU HA 2.600 . 3.500 2.809 2.788 2.889 . 0 0 "[ . 1 . 2]" 1
136 1 9 LEU H 1 9 LEU QB 2.500 . 3.400 2.314 2.118 2.652 . 0 0 "[ . 1 . 2]" 1
137 1 9 LEU H 1 13 PHE HZ 3.300 2.100 5.000 5.200 5.110 5.291 0.291 20 0 "[ . 1 . 2]" 1
138 1 9 LEU HA 1 9 LEU QB 2.500 . 3.400 2.481 2.443 2.539 . 0 0 "[ . 1 . 2]" 1
139 1 9 LEU HA 1 11 PHE H 3.100 . 4.200 3.040 2.998 3.063 . 0 0 "[ . 1 . 2]" 1
140 1 9 LEU HA 1 11 PHE QB 2.700 . 4.300 4.644 4.549 4.692 0.392 15 0 "[ . 1 . 2]" 1
141 1 9 LEU HA 1 11 PHE QE 3.200 2.100 4.300 4.555 4.363 4.686 0.386 2 0 "[ . 1 . 2]" 1
142 1 9 LEU HA 1 12 LEU H 2.600 . 3.500 2.481 2.428 2.587 . 0 0 "[ . 1 . 2]" 1
143 1 9 LEU HA 1 12 LEU QB 2.500 . 3.400 1.927 1.814 2.322 . 0 0 "[ . 1 . 2]" 1
144 1 9 LEU HA 1 12 LEU QD 2.400 . 3.200 1.700 1.671 1.843 . 0 0 "[ . 1 . 2]" 1
145 1 9 LEU HA 1 12 LEU HG 2.800 . 3.800 3.168 2.023 3.433 . 0 0 "[ . 1 . 2]" 1
146 1 9 LEU HA 1 13 PHE H 3.000 . 4.100 4.113 4.047 4.290 0.190 5 0 "[ . 1 . 2]" 1
147 1 9 LEU HA 1 13 PHE QE 2.900 . 3.900 3.758 3.668 3.821 . 0 0 "[ . 1 . 2]" 1
148 1 9 LEU QB 1 9 LEU QD 2.300 . 3.000 2.049 1.999 2.089 . 0 0 "[ . 1 . 2]" 1
149 1 9 LEU QB 1 11 PHE H 2.700 . 3.600 3.985 3.860 4.076 0.476 3 0 "[ . 1 . 2]" 1
150 1 9 LEU QB 1 12 LEU H 2.400 . 3.700 4.097 4.044 4.155 0.455 5 0 "[ . 1 . 2]" 1
151 1 9 LEU QB 1 12 LEU QD 2.300 . 3.100 3.365 3.050 3.413 0.313 18 0 "[ . 1 . 2]" 1
152 1 9 LEU QB 1 13 PHE QE 2.900 . 3.900 2.356 2.119 2.831 . 0 0 "[ . 1 . 2]" 1
153 1 9 LEU QB 1 13 PHE HZ 2.800 . 3.800 2.007 1.912 2.337 . 0 0 "[ . 1 . 2]" 1
154 1 9 LEU QD 1 11 PHE H 2.700 . 3.800 4.079 4.057 4.110 0.310 12 0 "[ . 1 . 2]" 1
155 1 9 LEU QD 1 11 PHE QE 2.700 . 3.900 4.306 4.204 4.358 0.458 2 0 "[ . 1 . 2]" 1
156 1 9 LEU QD 1 12 LEU H 2.500 . 3.400 3.627 3.532 3.851 0.451 12 0 "[ . 1 . 2]" 1
157 1 9 LEU QD 1 13 PHE HA 3.200 2.100 5.400 5.671 5.551 5.927 0.527 5 3 "[ + 1 * . -2]" 1
158 1 11 PHE H 1 11 PHE HA 2.600 . 3.500 2.939 2.923 2.950 . 0 0 "[ . 1 . 2]" 1
159 1 11 PHE H 1 11 PHE QB 2.500 . 3.400 2.420 2.395 2.465 . 0 0 "[ . 1 . 2]" 1
160 1 11 PHE H 1 11 PHE QE 2.800 . 4.300 4.755 4.687 4.792 0.492 13 0 "[ . 1 . 2]" 1
161 1 11 PHE H 1 12 LEU H 2.700 . 3.600 1.618 1.501 1.678 0.299 12 0 "[ . 1 . 2]" 1
162 1 11 PHE H 1 12 LEU QB 3.000 . 3.200 3.302 3.273 3.377 0.177 5 0 "[ . 1 . 2]" 1
163 1 11 PHE H 1 12 LEU QD 2.700 . 3.600 3.260 2.983 3.923 0.323 5 0 "[ . 1 . 2]" 1
164 1 11 PHE H 1 13 PHE H 3.000 . 4.100 3.788 3.593 3.908 . 0 0 "[ . 1 . 2]" 1
165 1 11 PHE HA 1 11 PHE QB 2.400 . 3.200 2.251 2.240 2.258 . 0 0 "[ . 1 . 2]" 1
166 1 11 PHE HA 1 11 PHE QE 2.600 . 4.600 5.078 5.056 5.112 0.512 12 5 "[ *- 1 + . **]" 1
167 1 11 PHE HA 1 12 LEU H 2.700 . 3.600 3.542 3.495 3.556 . 0 0 "[ . 1 . 2]" 1
168 1 11 PHE HA 1 12 LEU QD 3.100 . 4.700 4.849 4.708 5.295 0.595 5 3 "[ + 1 - . *2]" 1
169 1 11 PHE QB 1 12 LEU H 2.500 . 3.400 3.240 3.214 3.252 . 0 0 "[ . 1 . 2]" 1
170 1 11 PHE QB 1 12 LEU QB 2.700 . 4.300 4.776 4.732 4.908 0.608 5 3 "[ + 1 * . -2]" 1
171 1 11 PHE QB 1 12 LEU QD 2.500 . 4.500 3.709 3.532 4.375 . 0 0 "[ . 1 . 2]" 1
172 1 11 PHE QE 1 12 LEU H 2.800 . 3.800 4.002 3.942 4.051 0.251 15 0 "[ . 1 . 2]" 1
173 1 11 PHE QE 1 12 LEU HA 2.800 . 3.800 3.273 3.174 3.331 . 0 0 "[ . 1 . 2]" 1
174 1 11 PHE QE 1 12 LEU QB 2.700 . 3.800 4.163 4.100 4.207 0.407 15 0 "[ . 1 . 2]" 1
175 1 11 PHE QE 1 12 LEU QD 2.600 . 3.400 1.866 1.747 1.936 . 0 0 "[ . 1 . 2]" 1
176 1 11 PHE QE 1 12 LEU HG 3.200 2.100 4.300 4.005 2.505 4.346 0.046 6 0 "[ . 1 . 2]" 1
177 1 11 PHE QE 1 14 LEU QB 3.000 . 4.800 5.105 5.054 5.186 0.386 4 0 "[ . 1 . 2]" 1
178 1 11 PHE QE 1 15 ARG HA 2.500 . 3.400 3.807 3.660 3.914 0.514 8 4 "[ *. +*1 . - 2]" 1
179 1 11 PHE QE 1 15 ARG QD 2.800 . 3.800 3.465 2.795 4.009 0.209 12 0 "[ . 1 . 2]" 1
180 1 11 PHE QE 1 15 ARG QG 3.000 . 4.000 3.511 2.799 4.136 0.136 14 0 "[ . 1 . 2]" 1
181 1 12 LEU H 1 12 LEU HA 2.600 . 3.500 2.773 2.766 2.783 . 0 0 "[ . 1 . 2]" 1
182 1 12 LEU H 1 12 LEU QB 2.500 . 3.400 1.977 1.922 2.144 . 0 0 "[ . 1 . 2]" 1
183 1 12 LEU H 1 12 LEU QD 2.400 . 3.200 2.395 2.090 3.090 . 0 0 "[ . 1 . 2]" 1
184 1 12 LEU H 1 12 LEU HG 2.600 . 3.800 3.869 2.301 4.166 0.366 15 0 "[ . 1 . 2]" 1
185 1 12 LEU H 1 13 PHE H 2.700 . 3.600 2.835 2.772 2.883 . 0 0 "[ . 1 . 2]" 1
186 1 12 LEU H 1 13 PHE HA 3.200 2.100 4.900 5.288 5.217 5.329 0.429 3 0 "[ . 1 . 2]" 1
187 1 12 LEU H 1 13 PHE QE 3.100 . 4.200 4.432 4.354 4.484 0.284 10 0 "[ . 1 . 2]" 1
188 1 12 LEU HA 1 12 LEU QD 2.400 . 3.200 1.874 1.796 1.927 . 0 0 "[ . 1 . 2]" 1
189 1 12 LEU HA 1 12 LEU HG 2.500 . 3.600 3.460 2.803 3.604 0.004 14 0 "[ . 1 . 2]" 1
190 1 12 LEU HA 1 13 PHE H 2.800 . 3.800 3.590 3.577 3.601 . 0 0 "[ . 1 . 2]" 1
191 1 12 LEU HA 1 13 PHE QE 3.200 2.100 5.500 5.162 4.993 5.251 . 0 0 "[ . 1 . 2]" 1
192 1 12 LEU HA 1 14 LEU H 3.300 2.100 4.500 3.364 3.284 3.392 . 0 0 "[ . 1 . 2]" 1
193 1 12 LEU HA 1 14 LEU QB 2.400 . 4.300 4.726 4.658 4.748 0.448 7 0 "[ . 1 . 2]" 1
194 1 12 LEU HA 1 15 ARG H 2.900 . 3.900 3.344 3.218 3.427 . 0 0 "[ . 1 . 2]" 1
195 1 12 LEU HA 1 15 ARG QD 2.900 . 3.900 3.186 1.951 4.010 0.110 4 0 "[ . 1 . 2]" 1
196 1 12 LEU HA 1 15 ARG QG 2.600 . 3.500 2.630 1.863 3.518 0.018 7 0 "[ . 1 . 2]" 1
197 1 12 LEU QB 1 12 LEU QD 2.400 . 3.100 1.980 1.858 2.011 . 0 0 "[ . 1 . 2]" 1
198 1 12 LEU QB 1 12 LEU HG 2.600 . 3.200 2.118 2.086 2.269 . 0 0 "[ . 1 . 2]" 1
199 1 12 LEU QB 1 13 PHE H 3.000 . 3.500 2.424 2.383 2.452 . 0 0 "[ . 1 . 2]" 1
200 1 12 LEU QB 1 13 PHE QE 3.200 2.100 4.200 2.477 2.355 2.571 . 0 0 "[ . 1 . 2]" 1
201 1 12 LEU QB 1 13 PHE HZ 3.200 2.100 4.600 3.200 3.171 3.257 . 0 0 "[ . 1 . 2]" 1
202 1 12 LEU QD 1 13 PHE H 2.700 . 3.600 3.864 3.809 3.903 0.303 19 0 "[ . 1 . 2]" 1
203 1 12 LEU QD 1 13 PHE HA 3.300 2.100 4.500 4.508 4.472 4.613 0.113 12 0 "[ . 1 . 2]" 1
204 1 12 LEU QD 1 13 PHE QE 2.600 . 3.500 3.514 2.194 3.785 0.285 9 0 "[ . 1 . 2]" 1
205 1 12 LEU QD 1 13 PHE HZ 2.600 . 3.500 3.776 2.911 3.946 0.446 20 0 "[ . 1 . 2]" 1
206 1 12 LEU QD 1 14 LEU HA 2.300 . 6.100 6.434 6.370 6.653 0.553 5 3 "[ + 1 - . *2]" 1
207 1 12 LEU QD 1 14 LEU HG 2.500 . 5.500 5.711 5.638 5.862 0.362 5 0 "[ . 1 . 2]" 1
208 1 12 LEU QD 1 15 ARG H 5.000 3.200 6.800 4.217 4.136 4.441 . 0 0 "[ . 1 . 2]" 1
209 1 12 LEU QD 1 15 ARG QD 2.800 . 3.800 2.607 1.876 3.552 . 0 0 "[ . 1 . 2]" 1
210 1 12 LEU HG 1 13 PHE H 2.800 . 4.300 4.724 4.379 4.806 0.506 2 2 "[ + .- 1 . 2]" 1
211 1 12 LEU HG 1 13 PHE QE 3.000 . 4.000 3.549 3.285 4.427 0.427 12 0 "[ . 1 . 2]" 1
212 1 12 LEU HG 1 13 PHE HZ 3.200 2.100 4.300 4.454 4.337 4.911 0.611 5 3 "[ + 1 * . -2]" 1
213 1 13 PHE H 1 13 PHE HA 2.600 . 3.500 2.845 2.835 2.851 . 0 0 "[ . 1 . 2]" 1
214 1 13 PHE H 1 13 PHE QB 2.600 . 3.500 2.794 2.780 2.808 . 0 0 "[ . 1 . 2]" 1
215 1 13 PHE H 1 13 PHE QE 2.800 . 3.800 3.511 3.485 3.554 . 0 0 "[ . 1 . 2]" 1
216 1 13 PHE H 1 13 PHE HZ 3.400 2.200 4.600 4.294 4.236 4.341 . 0 0 "[ . 1 . 2]" 1
217 1 13 PHE H 1 14 LEU H 2.600 . 3.500 2.489 2.409 2.533 . 0 0 "[ . 1 . 2]" 1
218 1 13 PHE H 1 14 LEU HA 2.800 . 4.500 4.826 4.752 4.866 0.366 4 0 "[ . 1 . 2]" 1
219 1 13 PHE H 1 14 LEU QB 3.400 2.200 4.600 4.217 4.133 4.266 . 0 0 "[ . 1 . 2]" 1
220 1 13 PHE H 1 15 ARG H 3.200 2.100 4.300 4.217 4.151 4.258 . 0 0 "[ . 1 . 2]" 1
221 1 13 PHE HA 1 13 PHE QB 2.600 . 3.400 2.282 2.278 2.286 . 0 0 "[ . 1 . 2]" 1
222 1 13 PHE HA 1 13 PHE QE 2.600 . 4.000 4.352 4.322 4.382 0.382 1 0 "[ . 1 . 2]" 1
223 1 13 PHE HA 1 14 LEU H 2.700 . 3.600 3.078 3.035 3.121 . 0 0 "[ . 1 . 2]" 1
224 1 13 PHE HA 1 16 LYS H 3.300 2.100 4.500 4.170 3.933 4.354 . 0 0 "[ . 1 . 2]" 1
225 1 13 PHE QB 1 14 LEU H 2.800 . 3.600 3.675 3.649 3.717 0.117 4 0 "[ . 1 . 2]" 1
226 1 13 PHE QB 1 14 LEU HG 2.800 . 3.800 3.551 3.452 3.607 . 0 0 "[ . 1 . 2]" 1
227 1 13 PHE QE 1 14 LEU H 3.200 2.100 5.100 5.502 5.456 5.531 0.431 11 0 "[ . 1 . 2]" 1
228 1 13 PHE QE 1 14 LEU HA 3.100 . 7.000 7.296 7.281 7.324 0.324 4 0 "[ . 1 . 2]" 1
229 1 13 PHE QE 1 14 LEU HG 2.700 . 4.900 5.395 5.336 5.434 0.534 15 11 "[ ** .*-**** * +* 2]" 1
230 1 14 LEU H 1 14 LEU HA 2.500 . 3.400 2.897 2.892 2.902 . 0 0 "[ . 1 . 2]" 1
231 1 14 LEU H 1 14 LEU QB 2.600 . 3.500 2.481 2.458 2.519 . 0 0 "[ . 1 . 2]" 1
232 1 14 LEU H 1 14 LEU HG 2.600 . 3.500 2.875 2.767 2.932 . 0 0 "[ . 1 . 2]" 1
233 1 14 LEU H 1 15 ARG H 2.700 . 3.600 2.052 1.953 2.126 . 0 0 "[ . 1 . 2]" 1
234 1 14 LEU H 1 15 ARG HA 2.800 . 4.400 4.480 4.439 4.535 0.135 2 0 "[ . 1 . 2]" 1
235 1 14 LEU H 1 15 ARG QG 2.700 . 3.600 3.482 3.279 3.732 0.132 7 0 "[ . 1 . 2]" 1
236 1 14 LEU H 1 17 LYS QB 2.500 . 3.600 3.995 3.907 4.049 0.449 15 0 "[ . 1 . 2]" 1
237 1 14 LEU HA 1 14 LEU QB 2.500 . 3.400 2.395 2.380 2.399 . 0 0 "[ . 1 . 2]" 1
238 1 14 LEU HA 1 14 LEU HG 2.500 . 3.400 3.290 3.269 3.300 . 0 0 "[ . 1 . 2]" 1
239 1 14 LEU HA 1 15 ARG H 2.600 . 3.500 3.434 3.408 3.463 . 0 0 "[ . 1 . 2]" 1
240 1 14 LEU QB 1 14 LEU HG 2.600 . 3.500 2.332 2.324 2.348 . 0 0 "[ . 1 . 2]" 1
241 1 14 LEU QB 1 15 ARG H 3.000 . 4.100 3.296 3.246 3.349 . 0 0 "[ . 1 . 2]" 1
242 1 14 LEU QB 1 15 ARG QB 2.400 . 3.900 4.358 4.240 4.406 0.506 6 2 "[ - .+ 1 . 2]" 1
243 1 15 ARG H 1 15 ARG HA 2.600 . 3.500 2.858 2.828 2.890 . 0 0 "[ . 1 . 2]" 1
244 1 15 ARG H 1 15 ARG QB 2.300 . 3.100 2.758 2.534 2.904 . 0 0 "[ . 1 . 2]" 1
245 1 15 ARG H 1 15 ARG QD 2.900 . 3.900 3.601 3.101 3.924 0.024 20 0 "[ . 1 . 2]" 1
246 1 15 ARG H 1 15 ARG QG 2.600 . 3.500 1.960 1.825 2.133 . 0 0 "[ . 1 . 2]" 1
247 1 15 ARG H 1 16 LYS H 2.800 . 3.800 2.325 2.204 2.426 . 0 0 "[ . 1 . 2]" 1
248 1 15 ARG H 1 16 LYS QB 2.600 . 4.700 4.925 4.168 5.020 0.320 14 0 "[ . 1 . 2]" 1
249 1 15 ARG H 1 17 LYS QB 2.600 . 3.500 3.633 3.582 3.762 0.262 4 0 "[ . 1 . 2]" 1
250 1 15 ARG HA 1 15 ARG QB 2.500 . 3.400 2.152 2.139 2.165 . 0 0 "[ . 1 . 2]" 1
251 1 15 ARG HA 1 15 ARG QD 2.600 . 3.700 4.226 4.084 4.293 0.593 1 13 "[+ * .**-*** ***** 2]" 1
252 1 15 ARG HA 1 15 ARG QG 2.600 . 3.500 3.321 3.295 3.336 . 0 0 "[ . 1 . 2]" 1
253 1 15 ARG HA 1 16 LYS H 2.600 . 3.500 3.501 3.423 3.558 0.058 2 0 "[ . 1 . 2]" 1
254 1 15 ARG HA 1 16 LYS QB 2.500 . 3.800 4.206 4.143 4.356 0.556 4 1 "[ +. 1 . 2]" 1
255 1 15 ARG HA 1 16 LYS QG 3.100 . 4.200 4.560 4.380 4.661 0.461 7 0 "[ . 1 . 2]" 1
256 1 15 ARG QB 1 15 ARG QD 2.600 . 3.400 2.053 1.942 2.164 . 0 0 "[ . 1 . 2]" 1
257 1 15 ARG QB 1 16 LYS QB 2.300 . 3.100 3.462 3.236 3.574 0.474 7 0 "[ . 1 . 2]" 1
258 1 15 ARG QB 1 16 LYS QG 2.300 . 3.100 3.126 2.693 3.435 0.335 4 0 "[ . 1 . 2]" 1
259 1 15 ARG QD 1 16 LYS H 3.200 2.100 4.300 3.756 2.980 4.283 . 0 0 "[ . 1 . 2]" 1
260 1 15 ARG QD 1 17 LYS QB 2.600 . 3.500 3.690 3.606 3.758 0.258 17 0 "[ . 1 . 2]" 1
261 1 15 ARG HE 1 15 ARG QG 3.100 . 4.200 2.334 2.051 3.191 . 0 0 "[ . 1 . 2]" 1
262 1 15 ARG QG 1 16 LYS H 2.800 . 3.800 2.065 1.759 2.438 0.041 2 0 "[ . 1 . 2]" 1
263 1 16 LYS H 1 16 LYS HA 2.700 . 3.600 2.722 2.684 2.787 . 0 0 "[ . 1 . 2]" 1
264 1 16 LYS H 1 16 LYS QB 2.600 . 3.400 3.303 2.861 3.370 . 0 0 "[ . 1 . 2]" 1
265 1 16 LYS H 1 16 LYS QG 2.800 . 3.800 2.848 2.582 3.954 0.154 4 0 "[ . 1 . 2]" 1
266 1 16 LYS H 1 17 LYS H 2.900 . 3.900 1.717 1.655 1.878 0.245 13 0 "[ . 1 . 2]" 1
267 1 16 LYS H 1 17 LYS QB 2.600 . 3.500 3.223 2.943 3.491 . 0 0 "[ . 1 . 2]" 1
268 1 16 LYS HA 1 16 LYS QB 2.500 . 3.400 2.237 2.193 2.578 . 0 0 "[ . 1 . 2]" 1
269 1 16 LYS HA 1 16 LYS QD 2.700 . 3.600 3.842 3.735 4.092 0.492 5 0 "[ . 1 . 2]" 1
270 1 16 LYS HA 1 16 LYS QG 2.600 . 3.500 3.353 2.159 3.451 . 0 0 "[ . 1 . 2]" 1
271 1 16 LYS HA 1 17 LYS H 2.500 . 3.400 3.297 2.827 3.502 0.102 15 0 "[ . 1 . 2]" 1
272 1 16 LYS QB 1 17 LYS H 2.700 . 3.600 3.657 2.348 4.047 0.447 18 0 "[ . 1 . 2]" 1
273 1 16 LYS QB 1 17 LYS QG 3.200 2.100 4.300 4.342 2.710 4.575 0.275 13 0 "[ . 1 . 2]" 1
274 1 16 LYS QD 1 17 LYS QG 2.600 . 3.500 3.119 2.431 4.061 0.561 4 1 "[ +. 1 . 2]" 1
275 1 16 LYS QG 1 17 LYS H 3.000 . 4.000 2.623 2.029 4.153 0.153 4 0 "[ . 1 . 2]" 1
276 1 17 LYS H 1 17 LYS HA 2.600 . 3.500 2.810 2.741 2.923 . 0 0 "[ . 1 . 2]" 1
277 1 17 LYS H 1 17 LYS QB 2.600 . 3.400 2.344 2.165 2.569 . 0 0 "[ . 1 . 2]" 1
278 1 17 LYS H 1 17 LYS QG 2.900 . 3.900 2.638 2.171 3.525 . 0 0 "[ . 1 . 2]" 1
279 1 17 LYS HA 1 17 LYS QB 2.600 . 3.500 2.485 2.449 2.537 . 0 0 "[ . 1 . 2]" 1
280 1 17 LYS HA 1 17 LYS QD 2.900 . 3.900 3.466 2.092 4.136 0.236 1 0 "[ . 1 . 2]" 1
281 1 17 LYS HA 1 17 LYS QG 2.900 . 3.900 2.446 2.241 2.807 . 0 0 "[ . 1 . 2]" 1
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