NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
611942 |
5tcz   |
30181 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5tcz
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 319
_Distance_constraint_stats_list.Viol_count 1277
_Distance_constraint_stats_list.Viol_total 15668.159
_Distance_constraint_stats_list.Viol_max 3.520
_Distance_constraint_stats_list.Viol_rms 0.3651
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1228
_Distance_constraint_stats_list.Viol_average_violations_only 0.6135
_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 3 TYR 0.104 0.104 7 0 "[ . 1 . 2]"
1 4 CYS 13.221 1.470 10 6 "[ .* - +** .* 2]"
1 5 GLN 102.362 2.585 20 18 "[** ******* *******-+]"
1 6 LYS 21.542 2.300 2 7 "[ + ** 1 -* * *]"
1 7 TRP 7.365 0.875 10 7 "[ *.* * +** -. 2]"
1 8 MET 57.505 2.985 10 15 "[-** ** * +*** * ****]"
1 9 GLN 51.555 2.670 6 15 "[ * **+** *** **-** *]"
1 10 THR 172.175 3.493 10 20 [*********+*****-****]
1 11 CYS 40.894 1.720 17 17 "[ ******* ****** +-**]"
1 12 ASP 32.935 1.350 20 17 "[ **** ********* *-*+]"
1 13 SER 13.658 0.986 20 6 "[ - . *1 ** * +]"
1 14 GLU 16.170 1.036 4 8 "[ +. - 1** ** **]"
1 15 ARG 150.827 2.070 2 19 "[ +*********-********]"
1 16 LYS 3.455 0.619 18 1 "[ . 1 . + 2]"
1 17 CYS 109.913 2.585 20 20 [***********-*******+]
1 18 CYS 23.406 1.591 8 10 "[ *.**+ * *.** -*]"
1 19 GLU 19.739 1.382 10 11 "[ * .*** + ***.* **]"
1 21 MET 147.750 3.520 16 20 [*****-*********+****]
1 22 VAL 29.353 2.423 16 11 "[** ** * 1 ***+ * -]"
1 23 CYS 46.968 2.053 9 16 "[********+* * *** -*]"
1 24 ARG 38.928 2.053 9 16 "[********+* * *** -*]"
1 25 LEU 1.448 0.685 6 1 "[ .+ 1 . 2]"
1 26 TRP 127.053 3.493 10 20 [-********+**********]
1 27 CYS 93.666 2.670 6 20 [*****+*********-****]
1 28 LYS 23.250 2.794 2 9 "[ + -* * 1 *** * *]"
1 29 LYS 82.376 3.520 16 18 "[******* *****-*+ ***]"
1 30 LYS 46.310 3.410 16 17 "[******** * ***-+ ***]"
1 31 LEU 56.487 2.933 1 18 "[+***** *******-* ***]"
1 32 LEU 2.752 0.579 19 3 "[ . -* . +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 3 TYR HA 1 4 CYS H . . 2.950 2.315 2.029 3.054 0.104 7 0 "[ . 1 . 2]" 1
2 1 3 TYR HA 1 4 CYS HA . . 4.680 4.400 4.179 4.680 . 14 0 "[ . 1 . 2]" 1
3 1 4 CYS H 1 4 CYS QB . . 3.850 3.136 2.648 3.458 . 0 0 "[ . 1 . 2]" 1
4 1 4 CYS HA 1 5 GLN HA . . 5.500 4.727 4.600 4.844 . 0 0 "[ . 1 . 2]" 1
5 1 4 CYS HA 1 5 GLN QB . . 5.500 5.200 4.958 5.483 . 0 0 "[ . 1 . 2]" 1
6 1 4 CYS HA 1 7 TRP HA . . 5.500 5.678 5.057 6.375 0.875 10 5 "[ .- * +** . 2]" 1
7 1 4 CYS HA 1 7 TRP QB . . 3.950 3.281 2.436 4.149 0.199 10 0 "[ . 1 . 2]" 1
8 1 4 CYS HA 1 8 MET H . . 5.500 5.006 3.929 5.755 0.255 17 0 "[ . 1 . 2]" 1
9 1 4 CYS HA 1 9 GLN HA . . 5.500 4.040 3.735 4.751 . 0 0 "[ . 1 . 2]" 1
10 1 4 CYS HA 1 9 GLN QB . . 5.500 2.207 1.958 2.598 . 0 0 "[ . 1 . 2]" 1
11 1 4 CYS QB 1 5 GLN H . . 3.620 2.991 2.196 3.840 0.220 17 0 "[ . 1 . 2]" 1
12 1 4 CYS QB 1 9 GLN HA . . 4.380 4.475 3.898 5.850 1.470 10 2 "[ . - + . 2]" 1
13 1 4 CYS QB 1 9 GLN QG . . 4.250 3.070 2.056 3.893 . 0 0 "[ . 1 . 2]" 1
14 1 4 CYS QB 1 18 CYS H . . 3.620 3.232 1.905 4.171 0.551 16 1 "[ . 1 .+ 2]" 1
15 1 4 CYS QB 1 18 CYS HA . . 4.400 3.938 3.457 4.884 0.484 1 0 "[ . 1 . 2]" 1
16 1 4 CYS QB 1 18 CYS QB . . 4.920 2.436 2.120 3.219 . 0 0 "[ . 1 . 2]" 1
17 1 5 GLN H 1 5 GLN QB . . 3.430 2.182 2.012 2.529 . 0 0 "[ . 1 . 2]" 1
18 1 5 GLN H 1 6 LYS HA . . 5.500 5.306 4.884 5.566 0.066 18 0 "[ . 1 . 2]" 1
19 1 5 GLN H 1 6 LYS QB . . 5.500 4.339 3.612 4.942 . 0 0 "[ . 1 . 2]" 1
20 1 5 GLN H 1 17 CYS HA . . 5.490 6.463 4.930 8.075 2.585 20 15 "[-* ** * *1 ********+]" 1
21 1 5 GLN H 1 18 CYS HA . . 5.500 5.018 4.317 6.190 0.690 10 1 "[ . + . 2]" 1
22 1 5 GLN H 1 19 GLU QG . . 4.130 4.496 3.473 5.167 1.037 8 7 "[ * .* + * *.* -]" 1
23 1 5 GLN H 1 27 CYS QB . . 4.850 4.598 4.009 5.733 0.883 17 2 "[ . 1 . + -]" 1
24 1 5 GLN HA 1 6 LYS HA . . 5.500 4.761 4.666 4.848 . 0 0 "[ . 1 . 2]" 1
25 1 5 GLN HA 1 8 MET HA . . 5.010 4.956 3.497 6.454 1.444 17 6 "[ * * 1 * +* -]" 1
26 1 5 GLN HA 1 9 GLN QE . . 5.500 5.901 4.757 7.192 1.692 10 8 "[ * ** * + -. * *]" 1
27 1 5 GLN HA 1 9 GLN QG . . 4.010 3.737 2.505 6.342 2.332 10 4 "[ * -. + . *]" 1
28 1 5 GLN HA 1 17 CYS HA . . 5.500 6.182 5.336 7.125 1.625 20 11 "[ * ** * 1 ***- * *+]" 1
29 1 5 GLN HA 1 27 CYS H . . 4.290 3.490 2.912 4.200 . 0 0 "[ . 1 . 2]" 1
30 1 5 GLN HA 1 27 CYS QB . . 3.440 2.984 2.048 3.831 0.391 14 0 "[ . 1 . 2]" 1
31 1 5 GLN QB 1 5 GLN QE . . 3.460 2.419 2.035 3.421 . 0 0 "[ . 1 . 2]" 1
32 1 5 GLN QB 1 6 LYS H . . 5.500 2.898 2.377 3.920 . 0 0 "[ . 1 . 2]" 1
33 1 5 GLN QB 1 17 CYS HA . . 5.500 5.689 4.928 7.281 1.781 17 6 "[ * . * 1 - *. + *]" 1
34 1 5 GLN QB 1 18 CYS H . . 4.060 4.250 3.046 5.383 1.323 17 5 "[ .** 1 -. + *]" 1
35 1 5 GLN QB 1 19 GLU QG . . 2.680 2.645 2.102 4.062 1.382 10 3 "[ . * + -. 2]" 1
36 1 5 GLN QB 1 27 CYS QB . . 3.330 3.196 2.433 4.866 1.536 17 3 "[ . * . + -]" 1
37 1 5 GLN QE 1 6 LYS QB . . 4.430 3.556 2.596 4.869 0.439 14 0 "[ . 1 . 2]" 1
38 1 5 GLN QE 1 18 CYS QB . . 4.210 4.090 2.341 4.729 0.519 19 1 "[ . 1 . +2]" 1
39 1 5 GLN QE 1 19 GLU HG2 . . 3.460 3.478 2.475 4.440 0.980 14 5 "[ . - 1 **+. *2]" 1
40 1 5 GLN QE 1 19 GLU HG3 . . 3.460 3.128 2.204 3.810 0.350 6 0 "[ . 1 . 2]" 1
41 1 6 LYS H 1 6 LYS QB . . 3.200 2.164 1.969 2.387 . 0 0 "[ . 1 . 2]" 1
42 1 6 LYS H 1 6 LYS HG2 . . 5.140 4.412 3.415 4.657 . 0 0 "[ . 1 . 2]" 1
43 1 6 LYS H 1 6 LYS QG . . 4.520 3.730 2.866 4.083 . 0 0 "[ . 1 . 2]" 1
44 1 6 LYS H 1 6 LYS HG3 . . 5.140 4.083 2.925 4.725 . 0 0 "[ . 1 . 2]" 1
45 1 6 LYS H 1 8 MET H . . 5.500 5.070 3.615 7.182 1.682 17 3 "[ * . 1 . + -]" 1
46 1 6 LYS HA 1 6 LYS QD . . 4.800 3.895 2.449 4.324 . 0 0 "[ . 1 . 2]" 1
47 1 6 LYS HA 1 6 LYS HG2 . . 3.270 2.843 2.276 3.415 0.145 16 0 "[ . 1 . 2]" 1
48 1 6 LYS HA 1 6 LYS QG . . 2.770 2.273 2.062 2.557 . 0 0 "[ . 1 . 2]" 1
49 1 6 LYS HA 1 6 LYS HG3 . . 3.270 2.491 2.188 3.589 0.319 4 0 "[ . 1 . 2]" 1
50 1 6 LYS HA 1 7 TRP QB . . 5.500 4.702 4.276 5.307 . 0 0 "[ . 1 . 2]" 1
51 1 6 LYS HA 1 8 MET H . . 4.520 4.689 3.483 6.820 2.300 2 5 "[ + * 1 - * *]" 1
52 1 6 LYS QB 1 6 LYS QD . . 3.000 2.234 2.056 2.493 . 0 0 "[ . 1 . 2]" 1
53 1 6 LYS QB 1 7 TRP HA . . 5.330 4.605 4.051 5.017 . 0 0 "[ . 1 . 2]" 1
54 1 6 LYS QB 1 7 TRP QB . . 4.410 3.535 2.530 4.429 0.019 1 0 "[ . 1 . 2]" 1
55 1 6 LYS QB 1 8 MET H . . 5.500 5.441 4.595 6.878 1.378 17 3 "[ - . 1 . + *]" 1
56 1 6 LYS QG 1 7 TRP HA . . 5.280 4.885 3.903 6.049 0.769 4 2 "[ +. 1 -. 2]" 1
57 1 7 TRP HA 1 8 MET QG . . 4.210 3.632 2.884 4.098 . 0 0 "[ . 1 . 2]" 1
58 1 7 TRP QB 1 8 MET H . . 4.490 3.719 3.329 4.060 . 0 0 "[ . 1 . 2]" 1
59 1 8 MET H 1 8 MET HG2 . . 3.950 3.260 2.935 3.946 . 0 0 "[ . 1 . 2]" 1
60 1 8 MET H 1 8 MET QG . . 3.420 2.455 2.106 2.754 . 0 0 "[ . 1 . 2]" 1
61 1 8 MET H 1 8 MET HG3 . . 3.950 2.567 2.141 3.042 . 0 0 "[ . 1 . 2]" 1
62 1 8 MET H 1 9 GLN H . . 4.450 3.237 2.787 4.208 . 0 0 "[ . 1 . 2]" 1
63 1 8 MET H 1 26 TRP HA . . 5.500 5.462 4.150 6.916 1.416 20 5 "[-* . 1** . +]" 1
64 1 8 MET H 1 26 TRP QB . . 5.340 4.045 3.216 4.941 . 0 0 "[ . 1 . 2]" 1
65 1 8 MET HA 1 8 MET HG2 . . 3.550 2.402 2.201 2.817 . 0 0 "[ . 1 . 2]" 1
66 1 8 MET HA 1 8 MET QG . . 2.830 2.294 2.153 2.481 . 0 0 "[ . 1 . 2]" 1
67 1 8 MET HA 1 8 MET HG3 . . 3.550 2.996 2.522 3.254 . 0 0 "[ . 1 . 2]" 1
68 1 8 MET HA 1 10 THR H . . 4.740 3.968 3.398 4.347 . 0 0 "[ . 1 . 2]" 1
69 1 8 MET HA 1 26 TRP HA . . 4.690 3.334 2.430 4.062 . 0 0 "[ . 1 . 2]" 1
70 1 8 MET HA 1 26 TRP QB . . 3.170 2.264 1.914 3.756 0.586 10 1 "[ . + . 2]" 1
71 1 8 MET HA 1 27 CYS H . . 4.230 3.596 2.692 4.763 0.533 20 1 "[ . 1 . +]" 1
72 1 8 MET HA 1 27 CYS QB . . 5.190 5.469 3.668 6.855 1.665 20 7 "[ * * 1 * * -* +]" 1
73 1 8 MET QB 1 9 GLN HA . . 5.500 4.769 4.362 5.077 . 0 0 "[ . 1 . 2]" 1
74 1 8 MET QB 1 10 THR H . . 4.110 3.704 3.131 4.126 0.016 18 0 "[ . 1 . 2]" 1
75 1 8 MET QB 1 26 TRP HA . . 4.930 4.238 3.028 5.131 0.201 12 0 "[ . 1 . 2]" 1
76 1 8 MET QB 1 26 TRP QB . . 4.280 2.821 2.092 4.040 . 0 0 "[ . 1 . 2]" 1
77 1 8 MET QB 1 26 TRP HE1 . . 4.640 5.345 4.233 7.625 2.985 10 10 "[ ** ** * + - . ***2]" 1
78 1 9 GLN H 1 9 GLN HA . . 2.820 2.718 2.245 2.836 0.016 2 0 "[ . 1 . 2]" 1
79 1 9 GLN H 1 9 GLN QB . . 3.590 2.323 2.195 2.591 . 0 0 "[ . 1 . 2]" 1
80 1 9 GLN H 1 9 GLN QG . . 2.750 2.311 2.011 3.498 0.748 6 1 "[ .+ 1 . 2]" 1
81 1 9 GLN H 1 27 CYS QB . . 4.790 4.859 3.451 7.460 2.670 6 5 "[ * .+ 1 * .- *]" 1
82 1 9 GLN HA 1 9 GLN QG . . 3.480 3.384 3.342 3.574 0.094 11 0 "[ . 1 . 2]" 1
83 1 9 GLN HA 1 10 THR HB . . 4.860 4.547 3.925 5.017 0.157 2 0 "[ . 1 . 2]" 1
84 1 9 GLN HA 1 15 ARG QD . . 5.500 4.960 4.297 6.301 0.801 12 1 "[ . 1 + . 2]" 1
85 1 9 GLN QB 1 9 GLN QE . . 3.300 2.251 1.865 3.559 0.259 12 0 "[ . 1 . 2]" 1
86 1 9 GLN QB 1 10 THR H . . 4.060 4.065 3.911 4.159 0.099 9 0 "[ . 1 . 2]" 1
87 1 9 GLN QB 1 11 CYS HA . . 5.410 5.096 4.698 5.814 0.404 12 0 "[ . 1 . 2]" 1
88 1 9 GLN QB 1 15 ARG QD . . 3.480 3.324 2.484 4.643 1.163 12 3 "[ - 1 + . * 2]" 1
89 1 9 GLN QB 1 17 CYS HA . . 4.990 5.109 4.516 6.348 1.358 12 3 "[ . * 1 + . -]" 1
90 1 9 GLN QB 1 18 CYS H . . 5.500 4.896 4.243 6.026 0.526 6 1 "[ .+ 1 . 2]" 1
91 1 9 GLN QB 1 27 CYS H . . 5.440 4.860 4.304 5.732 0.292 10 0 "[ . 1 . 2]" 1
92 1 9 GLN QE 1 15 ARG QB . . 5.170 3.766 2.661 4.598 . 0 0 "[ . 1 . 2]" 1
93 1 9 GLN QE 1 15 ARG QD . . 3.420 2.295 1.933 2.775 . 0 0 "[ . 1 . 2]" 1
94 1 9 GLN QG 1 10 THR H . . 3.580 3.582 2.836 4.696 1.116 11 1 "[ . 1+ . 2]" 1
95 1 9 GLN QG 1 15 ARG QD . . 3.390 3.507 2.291 4.783 1.393 15 8 "[ -* * 1 * *+ ** 2]" 1
96 1 9 GLN QG 1 27 CYS H . . 3.450 3.026 2.365 4.714 1.264 10 1 "[ . + . 2]" 1
97 1 9 GLN QG 1 27 CYS QB . . 3.850 3.012 2.191 4.135 0.285 20 0 "[ . 1 . 2]" 1
98 1 10 THR H 1 10 THR HB . . 3.880 3.636 3.406 3.871 . 0 0 "[ . 1 . 2]" 1
99 1 10 THR H 1 15 ARG QG . . 5.340 6.224 5.372 7.410 2.070 2 13 "[ +* ** ** * **-** *]" 1
100 1 10 THR H 1 15 ARG HH11 . . 5.500 4.872 4.223 5.961 0.461 12 0 "[ . 1 . 2]" 1
101 1 10 THR H 1 26 TRP HA . . 5.500 3.474 2.703 4.060 . 0 0 "[ . 1 . 2]" 1
102 1 10 THR H 1 26 TRP QB . . 4.540 4.004 2.981 5.425 0.885 10 2 "[ - + . 2]" 1
103 1 10 THR H 1 27 CYS QB . . 5.500 6.574 5.294 7.571 2.071 20 18 "[******* *1******-**+]" 1
104 1 10 THR HA 1 11 CYS H . . 2.640 2.429 2.176 2.687 0.047 18 0 "[ . 1 . 2]" 1
105 1 10 THR HA 1 11 CYS HA . . 4.940 4.551 4.452 4.643 . 0 0 "[ . 1 . 2]" 1
106 1 10 THR HA 1 15 ARG HH11 . . 5.500 4.843 4.459 5.410 . 0 0 "[ . 1 . 2]" 1
107 1 10 THR HA 1 25 LEU HA . . 4.700 3.230 2.313 4.124 . 0 0 "[ . 1 . 2]" 1
108 1 10 THR HA 1 26 TRP HA . . 2.910 4.281 3.259 5.343 2.433 5 19 "[ ***+******-********]" 1
109 1 10 THR HA 1 26 TRP QB . . 3.850 5.038 4.054 6.503 2.653 5 18 "[ ***+***** **-******]" 1
110 1 10 THR HA 1 26 TRP HE1 . . 5.500 7.616 6.774 8.993 3.493 10 20 [*********+*-********] 1
111 1 10 THR HA 1 27 CYS H . . 5.050 6.681 5.514 7.400 2.350 20 19 "[*******-*** *******+]" 1
112 1 11 CYS H 1 15 ARG QG . . 5.340 5.349 4.359 6.867 1.527 17 6 "[ * - 1 * . +* *]" 1
113 1 11 CYS H 1 25 LEU HA . . 5.170 2.957 2.145 3.606 . 0 0 "[ . 1 . 2]" 1
114 1 11 CYS H 1 26 TRP HA . . 3.250 3.050 2.349 4.488 1.238 17 3 "[ * 1 - . + 2]" 1
115 1 11 CYS H 1 26 TRP QB . . 4.750 4.516 3.863 5.716 0.966 5 3 "[ + 1 - . * 2]" 1
116 1 11 CYS HA 1 12 ASP H . . 3.040 2.324 2.107 2.709 . 0 0 "[ . 1 . 2]" 1
117 1 11 CYS HA 1 12 ASP HA . . 4.510 4.538 4.339 4.707 0.197 6 0 "[ . 1 . 2]" 1
118 1 11 CYS HA 1 15 ARG H . . 5.050 4.797 4.268 5.290 0.240 9 0 "[ . 1 . 2]" 1
119 1 11 CYS HA 1 15 ARG QB . . 3.360 2.529 2.056 3.206 . 0 0 "[ . 1 . 2]" 1
120 1 11 CYS HA 1 15 ARG QD . . 4.450 3.102 2.106 4.229 . 0 0 "[ . 1 . 2]" 1
121 1 11 CYS HA 1 15 ARG QG . . 3.310 3.414 2.208 5.030 1.720 17 8 "[ * *- 1** . +* *]" 1
122 1 11 CYS HA 1 23 CYS HA . . 5.320 5.337 5.029 6.751 1.431 6 1 "[ .+ 1 . 2]" 1
123 1 11 CYS HA 1 26 TRP HA . . 4.980 5.032 4.396 6.499 1.519 5 3 "[ + - . * 2]" 1
124 1 11 CYS QB 1 12 ASP H . . 4.310 3.893 3.241 4.087 . 0 0 "[ . 1 . 2]" 1
125 1 11 CYS QB 1 12 ASP HA . . 4.320 4.857 4.590 5.047 0.727 20 14 "[ **** ** ** *** -*+]" 1
126 1 11 CYS QB 1 15 ARG QB . . 5.250 4.164 3.630 5.133 . 0 0 "[ . 1 . 2]" 1
127 1 11 CYS QB 1 17 CYS QB . . 5.340 4.460 3.951 5.165 . 0 0 "[ . 1 . 2]" 1
128 1 11 CYS QB 1 23 CYS H . . 5.500 5.166 4.826 6.353 0.853 6 1 "[ .+ 1 . 2]" 1
129 1 11 CYS QB 1 26 TRP H . . 5.500 3.293 2.826 4.432 . 0 0 "[ . 1 . 2]" 1
130 1 11 CYS QB 1 26 TRP HA . . 5.430 2.904 2.275 5.204 . 0 0 "[ . 1 . 2]" 1
131 1 12 ASP H 1 12 ASP QB . . 3.920 2.399 2.080 2.804 . 0 0 "[ . 1 . 2]" 1
132 1 12 ASP H 1 15 ARG H . . 5.500 4.005 3.162 5.618 0.118 9 0 "[ . 1 . 2]" 1
133 1 12 ASP H 1 15 ARG QB . . 3.310 2.486 1.823 3.442 0.132 9 0 "[ . 1 . 2]" 1
134 1 12 ASP H 1 15 ARG QD . . 5.310 3.926 2.734 5.021 . 0 0 "[ . 1 . 2]" 1
135 1 12 ASP H 1 15 ARG QG . . 3.600 3.631 2.337 4.950 1.350 20 6 "[ * . *1 - . ** +]" 1
136 1 12 ASP HA 1 12 ASP QB . . 2.760 2.414 2.316 2.481 . 0 0 "[ . 1 . 2]" 1
137 1 12 ASP HA 1 13 SER H . . 3.020 2.464 2.198 2.739 . 0 0 "[ . 1 . 2]" 1
138 1 12 ASP HA 1 13 SER HA . . 5.500 4.362 4.205 4.518 . 0 0 "[ . 1 . 2]" 1
139 1 12 ASP QB 1 13 SER H . . 2.490 2.522 1.966 3.290 0.800 18 2 "[ . 1 -. + 2]" 1
140 1 12 ASP QB 1 13 SER HA . . 4.520 4.543 4.344 5.121 0.601 18 1 "[ . 1 . + 2]" 1
141 1 12 ASP QB 1 13 SER HB2 . . 4.610 4.858 4.192 5.596 0.986 20 6 "[ - . *1 ** * +]" 1
142 1 12 ASP QB 1 13 SER QB . . 4.030 3.996 3.483 4.625 0.595 20 1 "[ . 1 . +]" 1
143 1 12 ASP QB 1 13 SER HB3 . . 4.610 4.260 3.722 4.931 0.321 20 0 "[ . 1 . 2]" 1
144 1 12 ASP QB 1 14 GLU H . . 3.930 2.874 2.370 3.964 0.034 18 0 "[ . 1 . 2]" 1
145 1 13 SER H 1 13 SER HB2 . . 3.600 2.675 2.302 3.608 0.008 20 0 "[ . 1 . 2]" 1
146 1 13 SER H 1 13 SER HB3 . . 3.600 2.519 2.247 2.849 . 0 0 "[ . 1 . 2]" 1
147 1 13 SER HA 1 13 SER QB . . 2.520 2.298 2.135 2.410 . 0 0 "[ . 1 . 2]" 1
148 1 13 SER QB 1 14 GLU H . . 4.040 3.090 2.458 4.038 . 0 0 "[ . 1 . 2]" 1
149 1 13 SER HB2 1 14 GLU H . . 4.600 4.169 3.707 4.560 . 0 0 "[ . 1 . 2]" 1
150 1 13 SER HB3 1 14 GLU H . . 4.600 3.258 2.485 4.641 0.041 9 0 "[ . 1 . 2]" 1
151 1 14 GLU H 1 14 GLU QB . . 3.110 2.480 2.100 3.055 . 0 0 "[ . 1 . 2]" 1
152 1 14 GLU H 1 14 GLU HG2 . . 4.840 3.374 2.016 4.616 . 0 0 "[ . 1 . 2]" 1
153 1 14 GLU H 1 14 GLU HG3 . . 4.840 3.531 2.386 4.757 . 0 0 "[ . 1 . 2]" 1
154 1 14 GLU H 1 15 ARG H . . 2.400 2.563 1.947 2.965 0.565 14 1 "[ . 1 +. 2]" 1
155 1 14 GLU H 1 15 ARG HA . . 4.530 4.891 4.377 5.339 0.809 11 6 "[ *. - 1+* * *2]" 1
156 1 14 GLU H 1 15 ARG QB . . 4.220 3.874 3.075 4.354 0.134 11 0 "[ . 1 . 2]" 1
157 1 14 GLU H 1 15 ARG QG . . 5.340 5.294 4.049 6.376 1.036 4 3 "[ +. 1 * . -]" 1
158 1 14 GLU HA 1 14 GLU HG2 . . 4.110 3.286 2.592 3.846 . 0 0 "[ . 1 . 2]" 1
159 1 14 GLU HA 1 14 GLU QG . . 3.560 2.818 2.226 3.393 . 0 0 "[ . 1 . 2]" 1
160 1 14 GLU HA 1 14 GLU HG3 . . 4.110 3.223 2.273 3.894 . 0 0 "[ . 1 . 2]" 1
161 1 14 GLU QB 1 14 GLU QG . . 2.310 2.092 1.990 2.130 . 0 0 "[ . 1 . 2]" 1
162 1 14 GLU QB 1 15 ARG H . . 4.220 3.585 3.012 4.029 . 0 0 "[ . 1 . 2]" 1
163 1 14 GLU HB2 1 15 ARG H . . 4.900 4.076 3.276 4.506 . 0 0 "[ . 1 . 2]" 1
164 1 14 GLU HB3 1 15 ARG H . . 4.900 4.137 3.080 4.561 . 0 0 "[ . 1 . 2]" 1
165 1 15 ARG H 1 15 ARG QB . . 3.200 2.285 2.083 2.652 . 0 0 "[ . 1 . 2]" 1
166 1 15 ARG HA 1 15 ARG HG2 . . 3.960 2.558 2.162 3.835 . 0 0 "[ . 1 . 2]" 1
167 1 15 ARG HA 1 15 ARG QG . . 3.300 2.303 2.142 3.076 . 0 0 "[ . 1 . 2]" 1
168 1 15 ARG HA 1 15 ARG HG3 . . 3.960 3.238 2.356 3.579 . 0 0 "[ . 1 . 2]" 1
169 1 15 ARG HA 1 15 ARG HH11 . . 5.500 5.404 4.500 6.268 0.768 20 2 "[ - . 1 . +]" 1
170 1 15 ARG HA 1 16 LYS H . . 2.590 2.118 1.989 2.259 . 0 0 "[ . 1 . 2]" 1
171 1 15 ARG HA 1 16 LYS HA . . 4.560 4.417 4.206 4.506 . 0 0 "[ . 1 . 2]" 1
172 1 15 ARG QB 1 15 ARG HH11 . . 5.500 3.753 2.715 4.448 . 0 0 "[ . 1 . 2]" 1
173 1 15 ARG QB 1 16 LYS H . . 4.020 3.535 2.864 3.895 . 0 0 "[ . 1 . 2]" 1
174 1 15 ARG QB 1 17 CYS H . . 4.370 4.999 3.254 6.197 1.827 8 13 "[ * ** + 1**-** ****]" 1
175 1 15 ARG QD 1 16 LYS H . . 4.130 3.077 1.908 4.612 0.482 20 0 "[ . 1 . 2]" 1
176 1 15 ARG QD 1 17 CYS H . . 4.410 5.163 3.249 6.183 1.773 4 14 "[ * +.******* ** * -*]" 1
177 1 15 ARG QD 1 17 CYS HA . . 3.680 4.509 3.034 5.583 1.903 10 15 "[ * *.****+** ** **-*]" 1
178 1 15 ARG QD 1 18 CYS H . . 5.160 5.506 4.461 6.751 1.591 8 6 "[ *.* + * *. -]" 1
179 1 15 ARG QG 1 15 ARG HH11 . . 3.270 2.702 2.079 4.022 0.752 20 3 "[ - . *1 . +]" 1
180 1 15 ARG QG 1 16 LYS H . . 4.170 3.141 2.132 4.075 . 0 0 "[ . 1 . 2]" 1
181 1 15 ARG QG 1 17 CYS H . . 5.340 5.853 3.165 7.252 1.912 6 12 "[ * *+* **-*** **2]" 1
182 1 15 ARG HG2 1 15 ARG HH11 . . 3.980 3.729 2.361 4.750 0.770 20 3 "[ * . -1 . +]" 1
183 1 15 ARG HG3 1 15 ARG HH11 . . 3.980 2.908 2.129 4.460 0.480 9 0 "[ . 1 . 2]" 1
184 1 16 LYS H 1 16 LYS QB . . 3.320 2.465 2.141 2.691 . 0 0 "[ . 1 . 2]" 1
185 1 16 LYS H 1 16 LYS QG . . 3.400 2.377 1.880 4.019 0.619 18 1 "[ . 1 . + 2]" 1
186 1 16 LYS HA 1 16 LYS QG . . 3.220 3.023 2.259 3.414 0.194 9 0 "[ . 1 . 2]" 1
187 1 16 LYS HA 1 17 CYS H . . 2.770 2.246 2.104 2.457 . 0 0 "[ . 1 . 2]" 1
188 1 16 LYS HA 1 17 CYS HA . . 4.870 4.501 4.378 4.655 . 0 0 "[ . 1 . 2]" 1
189 1 16 LYS HA 1 17 CYS QB . . 4.910 4.078 3.644 4.278 . 0 0 "[ . 1 . 2]" 1
190 1 16 LYS QB 1 17 CYS HA . . 5.340 4.593 3.730 5.032 . 0 0 "[ . 1 . 2]" 1
191 1 16 LYS QG 1 17 CYS H . . 4.880 4.292 3.263 4.971 0.091 10 0 "[ . 1 . 2]" 1
192 1 17 CYS H 1 17 CYS QB . . 3.350 2.321 2.155 2.724 . 0 0 "[ . 1 . 2]" 1
193 1 17 CYS HA 1 18 CYS H . . 2.890 2.183 2.070 2.808 . 0 0 "[ . 1 . 2]" 1
194 1 17 CYS HA 1 18 CYS HA . . 4.430 4.333 4.108 4.769 0.339 6 0 "[ . 1 . 2]" 1
195 1 17 CYS HA 1 19 GLU H . . 5.500 4.422 3.972 4.951 . 0 0 "[ . 1 . 2]" 1
196 1 18 CYS H 1 18 CYS QB . . 3.070 2.187 1.914 3.204 0.134 6 0 "[ . 1 . 2]" 1
197 1 18 CYS H 1 27 CYS QB . . 4.730 3.278 2.300 4.981 0.251 6 0 "[ . 1 . 2]" 1
198 1 19 GLU H 1 27 CYS QB . . 5.340 3.746 2.652 5.840 0.500 10 1 "[ . + . 2]" 1
199 1 21 MET H 1 21 MET QB . . 3.700 2.643 2.216 3.240 . 0 0 "[ . 1 . 2]" 1
200 1 21 MET H 1 21 MET QG . . 3.610 2.362 1.822 3.208 . 0 0 "[ . 1 . 2]" 1
201 1 21 MET H 1 29 LYS QG . . 5.500 6.312 5.425 7.664 2.164 13 13 "[***** 1**+-** **]" 1
202 1 21 MET H 1 31 LEU QB . . 5.500 6.230 4.778 7.791 2.291 1 10 "[+ *- * 1 ***.* **2]" 1
203 1 21 MET HA 1 21 MET QG . . 3.640 3.172 2.670 3.488 . 0 0 "[ . 1 . 2]" 1
204 1 21 MET HA 1 22 VAL H . . 2.930 2.528 2.027 2.910 . 0 0 "[ . 1 . 2]" 1
205 1 21 MET HA 1 22 VAL HA . . 4.370 4.376 4.135 4.719 0.349 12 0 "[ . 1 . 2]" 1
206 1 21 MET HA 1 29 LYS QG . . 5.340 6.205 5.053 8.860 3.520 16 14 "[ **** - * ****+ ***]" 1
207 1 21 MET HA 1 30 LYS H . . 3.420 4.677 3.774 6.830 3.410 16 17 "[******** * ****+ *-*]" 1
208 1 21 MET HA 1 31 LEU H . . 5.500 6.315 3.657 8.433 2.933 1 14 "[+*-*** *** *.* ***]" 1
209 1 21 MET HA 1 31 LEU QB . . 5.500 4.682 2.634 6.762 1.262 4 2 "[ +. 1 .- 2]" 1
210 1 21 MET QB 1 22 VAL H . . 3.340 2.324 1.762 3.544 0.204 4 0 "[ . 1 . 2]" 1
211 1 21 MET QB 1 28 LYS H . . 4.030 4.095 2.702 6.824 2.794 2 5 "[ + . 1 -* * *]" 1
212 1 21 MET QB 1 29 LYS H . . 4.270 4.596 3.310 7.195 2.925 16 3 "[ * . 1 .+ -]" 1
213 1 21 MET QB 1 29 LYS HA . . 3.470 3.155 2.296 5.483 2.013 16 3 "[ * . 1 .+ -]" 1
214 1 21 MET QB 1 29 LYS QG . . 3.630 4.271 3.217 6.677 3.047 16 10 "[ ** * 1 **-*+ **]" 1
215 1 21 MET QB 1 30 LYS H . . 4.950 3.076 2.449 4.370 . 0 0 "[ . 1 . 2]" 1
216 1 21 MET QG 1 27 CYS HA . . 5.050 4.518 2.605 5.758 0.708 6 1 "[ .+ 1 . 2]" 1
217 1 21 MET QG 1 27 CYS QB . . 3.530 3.739 2.595 4.891 1.361 3 8 "[ + .-** * ** . * 2]" 1
218 1 21 MET QG 1 28 LYS H . . 4.800 4.067 2.370 5.580 0.780 5 2 "[ + - 1 . 2]" 1
219 1 21 MET QG 1 29 LYS H . . 5.340 4.272 3.564 5.120 . 0 0 "[ . 1 . 2]" 1
220 1 21 MET QG 1 29 LYS HA . . 4.020 2.833 2.040 3.838 . 0 0 "[ . 1 . 2]" 1
221 1 22 VAL H 1 22 VAL HB . . 2.830 2.919 2.262 3.905 1.075 15 6 "[** *. 1 +* -]" 1
222 1 22 VAL H 1 30 LYS HA . . 5.500 6.194 5.200 7.923 2.423 16 11 "[** ** - 1 ***+ * *]" 1
223 1 22 VAL H 1 30 LYS QB . . 4.880 3.562 2.441 4.878 . 0 0 "[ . 1 . 2]" 1
224 1 22 VAL HA 1 22 VAL HB . . 2.920 3.005 2.593 3.051 0.131 13 0 "[ . 1 . 2]" 1
225 1 22 VAL HA 1 23 CYS H . . 2.870 2.243 2.032 2.695 . 0 0 "[ . 1 . 2]" 1
226 1 22 VAL HA 1 23 CYS QB . . 4.950 3.967 3.377 4.539 . 0 0 "[ . 1 . 2]" 1
227 1 22 VAL HA 1 24 ARG QD . . 4.860 3.873 2.768 4.716 . 0 0 "[ . 1 . 2]" 1
228 1 22 VAL HB 1 23 CYS H . . 3.980 4.259 3.558 4.537 0.557 4 5 "[* +* 1 .* -]" 1
229 1 22 VAL HB 1 24 ARG QD . . 5.340 4.494 2.727 5.315 . 0 0 "[ . 1 . 2]" 1
230 1 23 CYS H 1 24 ARG QB . . 4.800 5.107 4.300 5.866 1.066 5 7 "[ ** +* * 1 -* 2]" 1
231 1 23 CYS H 1 24 ARG QD . . 2.960 3.212 2.461 3.949 0.989 5 6 "[ * *+* 1 . *-]" 1
232 1 23 CYS HA 1 24 ARG H . . 3.230 2.268 2.151 2.525 . 0 0 "[ . 1 . 2]" 1
233 1 23 CYS HA 1 24 ARG QD . . 4.560 4.100 3.769 4.559 . 0 0 "[ . 1 . 2]" 1
234 1 23 CYS HA 1 24 ARG QH1 . . 5.310 5.461 4.255 7.363 2.053 9 9 "[* -* * +* * . * *2]" 1
235 1 23 CYS HA 1 25 LEU H . . 5.500 5.194 4.636 5.680 0.180 8 0 "[ . 1 . 2]" 1
236 1 23 CYS HA 1 26 TRP H . . 5.500 4.372 4.078 5.336 . 0 0 "[ . 1 . 2]" 1
237 1 23 CYS HA 1 26 TRP HA . . 5.500 5.157 4.657 5.627 0.127 2 0 "[ . 1 . 2]" 1
238 1 23 CYS HA 1 27 CYS HA . . 5.500 3.130 2.312 3.967 . 0 0 "[ . 1 . 2]" 1
239 1 23 CYS HA 1 28 LYS H . . 5.500 4.987 3.929 6.033 0.533 2 1 "[ + . 1 . 2]" 1
240 1 23 CYS QB 1 24 ARG H . . 4.360 4.034 3.919 4.079 . 0 0 "[ . 1 . 2]" 1
241 1 23 CYS QB 1 24 ARG QB . . 5.340 5.419 5.261 5.659 0.319 8 0 "[ . 1 . 2]" 1
242 1 23 CYS QB 1 24 ARG QD . . 3.890 4.028 3.645 4.387 0.497 2 0 "[ . 1 . 2]" 1
243 1 23 CYS QB 1 24 ARG HG3 . . 5.320 5.120 4.786 5.448 0.128 14 0 "[ . 1 . 2]" 1
244 1 23 CYS QB 1 24 ARG QH1 . . 5.290 4.477 2.764 6.877 1.587 9 5 "[ * +1 * . * -2]" 1
245 1 24 ARG H 1 24 ARG QB . . 3.170 2.852 2.690 3.236 0.066 8 0 "[ . 1 . 2]" 1
246 1 24 ARG H 1 24 ARG QD . . 3.860 3.265 2.952 3.767 . 0 0 "[ . 1 . 2]" 1
247 1 24 ARG H 1 24 ARG HG2 . . 5.500 4.995 4.849 5.120 . 0 0 "[ . 1 . 2]" 1
248 1 24 ARG H 1 24 ARG HG3 . . 4.450 4.255 4.136 4.392 . 0 0 "[ . 1 . 2]" 1
249 1 24 ARG H 1 25 LEU HA . . 5.500 5.247 4.869 5.558 0.058 1 0 "[ . 1 . 2]" 1
250 1 24 ARG H 1 26 TRP HA . . 5.500 4.824 4.536 5.325 . 0 0 "[ . 1 . 2]" 1
251 1 24 ARG H 1 27 CYS HA . . 4.180 3.905 3.414 4.451 0.271 9 0 "[ . 1 . 2]" 1
252 1 24 ARG HA 1 24 ARG QD . . 3.390 3.440 3.226 3.681 0.291 8 0 "[ . 1 . 2]" 1
253 1 24 ARG HA 1 24 ARG HG2 . . 3.630 3.547 3.359 3.903 0.273 8 0 "[ . 1 . 2]" 1
254 1 24 ARG HA 1 24 ARG HG3 . . 3.510 2.385 2.203 2.971 . 0 0 "[ . 1 . 2]" 1
255 1 24 ARG HA 1 25 LEU H . . 2.690 2.165 2.060 2.307 . 0 0 "[ . 1 . 2]" 1
256 1 24 ARG HA 1 25 LEU HA . . 5.170 4.363 4.259 4.483 . 0 0 "[ . 1 . 2]" 1
257 1 24 ARG HA 1 26 TRP H . . 4.720 4.052 3.849 4.778 0.058 5 0 "[ . 1 . 2]" 1
258 1 24 ARG QB 1 24 ARG HD2 . . 3.410 2.827 2.499 3.453 0.043 4 0 "[ . 1 . 2]" 1
259 1 24 ARG QB 1 24 ARG QD . . 2.900 2.251 2.090 2.624 . 0 0 "[ . 1 . 2]" 1
260 1 24 ARG QB 1 24 ARG HD3 . . 3.410 2.381 2.202 2.721 . 0 0 "[ . 1 . 2]" 1
261 1 24 ARG QB 1 25 LEU H . . 4.150 3.550 3.060 3.862 . 0 0 "[ . 1 . 2]" 1
262 1 24 ARG QB 1 26 TRP H . . 5.390 3.941 3.657 4.125 . 0 0 "[ . 1 . 2]" 1
263 1 24 ARG QD 1 25 LEU H . . 5.340 5.243 5.037 5.406 0.066 19 0 "[ . 1 . 2]" 1
264 1 24 ARG HG3 1 25 LEU H . . 5.000 4.427 4.081 5.018 0.018 8 0 "[ . 1 . 2]" 1
265 1 25 LEU H 1 25 LEU HA . . 2.540 2.249 2.216 2.274 . 0 0 "[ . 1 . 2]" 1
266 1 25 LEU H 1 25 LEU HG . . 3.530 3.177 2.857 4.215 0.685 6 1 "[ .+ 1 . 2]" 1
267 1 25 LEU HA 1 25 LEU HG . . 3.280 2.943 2.401 3.402 0.122 19 0 "[ . 1 . 2]" 1
268 1 25 LEU QB 1 25 LEU HG . . 2.530 2.413 2.359 2.510 . 0 0 "[ . 1 . 2]" 1
269 1 25 LEU QB 1 26 TRP H . . 4.230 2.944 2.299 3.363 . 0 0 "[ . 1 . 2]" 1
270 1 25 LEU QB 1 26 TRP QB . . 5.160 4.118 3.842 4.448 . 0 0 "[ . 1 . 2]" 1
271 1 25 LEU HB2 1 26 TRP H . . 4.820 3.060 2.348 3.509 . 0 0 "[ . 1 . 2]" 1
272 1 25 LEU HB3 1 26 TRP H . . 4.820 3.901 3.158 4.314 . 0 0 "[ . 1 . 2]" 1
273 1 26 TRP H 1 26 TRP QB . . 3.890 3.231 3.002 3.345 . 0 0 "[ . 1 . 2]" 1
274 1 26 TRP HA 1 27 CYS H . . 2.940 2.559 2.292 2.902 . 0 0 "[ . 1 . 2]" 1
275 1 26 TRP HA 1 27 CYS QB . . 5.470 4.332 3.743 4.803 . 0 0 "[ . 1 . 2]" 1
276 1 26 TRP QB 1 27 CYS H . . 3.240 2.235 1.861 2.629 . 0 0 "[ . 1 . 2]" 1
277 1 27 CYS H 1 27 CYS QB . . 3.190 2.659 2.382 2.892 . 0 0 "[ . 1 . 2]" 1
278 1 27 CYS HA 1 28 LYS H . . 2.690 2.314 2.119 2.688 . 0 0 "[ . 1 . 2]" 1
279 1 27 CYS QB 1 28 LYS H . . 4.020 3.550 2.437 4.083 0.063 3 0 "[ . 1 . 2]" 1
280 1 28 LYS H 1 28 LYS HB2 . . 3.810 2.777 2.262 4.007 0.197 9 0 "[ . 1 . 2]" 1
281 1 28 LYS H 1 28 LYS HB3 . . 3.810 3.372 2.332 3.905 0.095 16 0 "[ . 1 . 2]" 1
282 1 28 LYS H 1 28 LYS QD . . 3.980 3.977 2.198 4.743 0.763 15 2 "[ -. 1 + 2]" 1
283 1 28 LYS H 1 28 LYS QG . . 4.590 3.568 1.949 4.394 . 0 0 "[ . 1 . 2]" 1
284 1 28 LYS H 1 29 LYS HA . . 5.220 4.932 4.266 5.843 0.623 5 1 "[ + 1 . 2]" 1
285 1 28 LYS HA 1 28 LYS QD . . 4.040 2.932 2.133 4.339 0.299 5 0 "[ . 1 . 2]" 1
286 1 28 LYS HA 1 29 LYS H . . 3.530 2.810 2.002 3.565 0.035 2 0 "[ . 1 . 2]" 1
287 1 28 LYS HA 1 29 LYS HA . . 5.330 4.492 4.042 4.903 . 0 0 "[ . 1 . 2]" 1
288 1 28 LYS HA 1 29 LYS QG . . 5.340 4.853 3.303 5.877 0.537 14 1 "[ . 1 +. 2]" 1
289 1 28 LYS QB 1 28 LYS QD . . 2.920 2.365 2.137 2.853 . 0 0 "[ . 1 . 2]" 1
290 1 28 LYS QB 1 29 LYS H . . 2.970 2.410 1.797 3.183 0.213 19 0 "[ . 1 . 2]" 1
291 1 28 LYS QD 1 29 LYS H . . 4.430 3.784 2.491 4.855 0.425 5 0 "[ . 1 . 2]" 1
292 1 28 LYS QG 1 29 LYS H . . 5.340 3.807 2.746 4.594 . 0 0 "[ . 1 . 2]" 1
293 1 29 LYS H 1 29 LYS QB . . 3.170 2.616 2.070 3.176 0.006 20 0 "[ . 1 . 2]" 1
294 1 29 LYS H 1 29 LYS QD . . 5.340 4.596 3.428 5.623 0.283 2 0 "[ . 1 . 2]" 1
295 1 29 LYS H 1 30 LYS QB . . 5.340 4.604 3.628 5.430 0.090 13 0 "[ . 1 . 2]" 1
296 1 29 LYS HA 1 29 LYS QD . . 4.500 4.010 3.497 4.314 . 0 0 "[ . 1 . 2]" 1
297 1 29 LYS HA 1 29 LYS QG . . 3.100 2.277 2.096 2.598 . 0 0 "[ . 1 . 2]" 1
298 1 29 LYS HA 1 30 LYS H . . 2.680 2.163 2.053 2.394 . 0 0 "[ . 1 . 2]" 1
299 1 29 LYS HA 1 30 LYS HA . . 5.500 4.459 4.292 4.537 . 0 0 "[ . 1 . 2]" 1
300 1 29 LYS HA 1 30 LYS QB . . 4.450 4.089 3.677 4.739 0.289 13 0 "[ . 1 . 2]" 1
301 1 29 LYS HA 1 31 LEU H . . 4.350 4.353 3.117 5.502 1.152 14 5 "[* .* *1 +. - 2]" 1
302 1 29 LYS QB 1 30 LYS H . . 3.770 3.465 3.115 4.080 0.310 13 0 "[ . 1 . 2]" 1
303 1 29 LYS QB 1 31 LEU H . . 3.930 4.299 3.375 5.778 1.848 14 9 "[* *.* 1**-+* * 2]" 1
304 1 29 LYS QG 1 30 LYS H . . 3.980 3.270 2.253 4.247 0.267 6 0 "[ . 1 . 2]" 1
305 1 30 LYS H 1 30 LYS HB2 . . 3.330 3.229 2.604 3.709 0.379 13 0 "[ . 1 . 2]" 1
306 1 30 LYS H 1 30 LYS HB3 . . 3.330 3.191 2.696 3.533 0.203 15 0 "[ . 1 . 2]" 1
307 1 30 LYS H 1 31 LEU QB . . 3.570 3.475 2.872 4.163 0.593 13 1 "[ . 1 + . 2]" 1
308 1 30 LYS HA 1 30 LYS QG . . 2.960 2.480 2.053 3.398 0.438 13 0 "[ . 1 . 2]" 1
309 1 30 LYS HA 1 31 LEU H . . 3.030 2.719 2.103 3.546 0.516 12 2 "[ . 1 + - 2]" 1
310 1 30 LYS HA 1 31 LEU HA . . 5.500 4.485 4.253 4.828 . 0 0 "[ . 1 . 2]" 1
311 1 30 LYS QB 1 31 LEU H . . 4.260 3.858 2.892 4.101 . 0 0 "[ . 1 . 2]" 1
312 1 31 LEU H 1 31 LEU QB . . 3.110 2.613 2.172 2.963 . 0 0 "[ . 1 . 2]" 1
313 1 31 LEU H 1 31 LEU HG . . 5.500 4.590 3.796 5.211 . 0 0 "[ . 1 . 2]" 1
314 1 31 LEU HA 1 31 LEU HG . . 3.610 2.949 2.283 3.767 0.157 12 0 "[ . 1 . 2]" 1
315 1 31 LEU HA 1 32 LEU H . . 3.010 2.355 2.022 3.540 0.530 9 1 "[ . +1 . 2]" 1
316 1 31 LEU HA 1 32 LEU HA . . 5.500 4.497 4.376 4.679 . 0 0 "[ . 1 . 2]" 1
317 1 31 LEU QB 1 32 LEU H . . 4.020 3.576 2.415 4.012 . 0 0 "[ . 1 . 2]" 1
318 1 31 LEU QB 1 32 LEU HA . . 5.380 4.746 4.247 5.203 . 0 0 "[ . 1 . 2]" 1
319 1 32 LEU H 1 32 LEU HG . . 3.320 2.838 2.116 3.899 0.579 19 2 "[ . - . +2]" 1
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