NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
402836 |
1wgx   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wgx
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 1174
_Distance_constraint_stats_list.Viol_count 1357
_Distance_constraint_stats_list.Viol_total 1590.149
_Distance_constraint_stats_list.Viol_max 0.750
_Distance_constraint_stats_list.Viol_rms 0.0259
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.0586
_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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LYS 5.576 0.486 4 0 "[ . 1 . 2]"
1 10 GLU 4.776 0.649 17 2 "[ - 1 . + 2]"
1 11 TRP 3.159 0.649 17 2 "[ - 1 . + 2]"
1 12 ASN 0.276 0.081 10 0 "[ . 1 . 2]"
1 13 GLU 0.471 0.118 10 0 "[ . 1 . 2]"
1 14 LYS 1.297 0.171 9 0 "[ . 1 . 2]"
1 15 GLU 0.222 0.041 16 0 "[ . 1 . 2]"
1 16 LEU 1.201 0.062 18 0 "[ . 1 . 2]"
1 17 GLN 2.283 0.131 14 0 "[ . 1 . 2]"
1 18 LYS 3.851 0.131 14 0 "[ . 1 . 2]"
1 19 LEU 0.294 0.031 14 0 "[ . 1 . 2]"
1 20 HIS 0.532 0.031 14 0 "[ . 1 . 2]"
1 21 CYS 0.196 0.028 20 0 "[ . 1 . 2]"
1 22 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 PHE 1.183 0.103 13 0 "[ . 1 . 2]"
1 24 ALA 0.790 0.103 13 0 "[ . 1 . 2]"
1 25 SER 0.256 0.025 9 0 "[ . 1 . 2]"
1 26 LEU 0.509 0.034 12 0 "[ . 1 . 2]"
1 27 PRO 0.446 0.053 13 0 "[ . 1 . 2]"
1 28 LYS 5.570 0.588 15 4 "[ .*- *1 + 2]"
1 29 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 LYS 2.951 0.151 19 0 "[ . 1 . 2]"
1 31 PRO 2.658 0.151 19 0 "[ . 1 . 2]"
1 32 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 PHE 5.857 0.588 15 4 "[ .*- *1 + 2]"
1 34 TRP 2.030 0.056 20 0 "[ . 1 . 2]"
1 35 SER 3.355 0.145 10 0 "[ . 1 . 2]"
1 36 GLU 3.247 0.166 20 0 "[ . 1 . 2]"
1 37 VAL 3.417 0.105 10 0 "[ . 1 . 2]"
1 38 ALA 6.177 0.115 9 0 "[ . 1 . 2]"
1 39 ALA 3.118 0.200 5 0 "[ . 1 . 2]"
1 40 ALA 6.721 0.166 20 0 "[ . 1 . 2]"
1 41 VAL 2.446 0.065 13 0 "[ . 1 . 2]"
1 42 GLY 3.059 0.200 5 0 "[ . 1 . 2]"
1 43 SER 1.070 0.052 20 0 "[ . 1 . 2]"
1 44 ARG 2.471 0.094 2 0 "[ . 1 . 2]"
1 45 SER 9.538 0.442 16 0 "[ . 1 . 2]"
1 46 PRO 8.981 0.442 16 0 "[ . 1 . 2]"
1 47 GLU 2.493 0.165 7 0 "[ . 1 . 2]"
1 48 GLU 5.547 0.187 4 0 "[ . 1 . 2]"
1 49 CYS 3.448 0.092 9 0 "[ . 1 . 2]"
1 50 GLN 6.234 0.344 8 0 "[ . 1 . 2]"
1 51 ARG 3.820 0.250 6 0 "[ . 1 . 2]"
1 52 LYS 0.101 0.014 20 0 "[ . 1 . 2]"
1 53 TYR 0.466 0.091 20 0 "[ . 1 . 2]"
1 54 MET 8.366 0.344 8 0 "[ . 1 . 2]"
1 55 GLU 0.025 0.022 18 0 "[ . 1 . 2]"
1 56 ASN 2.727 0.531 10 1 "[ . + . 2]"
1 57 PRO 2.752 0.531 10 1 "[ . + . 2]"
1 58 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLY 0.325 0.325 17 0 "[ . 1 . 2]"
1 60 LYS 0.325 0.325 17 0 "[ . 1 . 2]"
1 63 GLN 1.557 0.750 19 2 "[- . 1 . +2]"
1 64 LYS 1.978 0.750 19 2 "[- . 1 . +2]"
1 65 HIS 3.765 0.527 9 1 "[ . +1 . 2]"
1 66 VAL 3.344 0.527 9 1 "[ . +1 . 2]"
1 67 THR 0.198 0.044 15 0 "[ . 1 . 2]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 PRO 0.000 0.000 . 0 "[ . 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 7 GLY QA 1 8 ASP HA . . 5.200 4.019 3.903 4.188 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY QA 1 8 ASP QB . . 4.710 3.992 3.541 4.372 . 0 0 "[ . 1 . 2]" 1
3 1 8 ASP HA 1 9 LYS H . . 3.410 2.416 2.269 2.803 . 0 0 "[ . 1 . 2]" 1
4 1 8 ASP QB 1 9 LYS H . . 4.480 3.178 1.944 4.037 . 0 0 "[ . 1 . 2]" 1
5 1 8 ASP QB 1 10 GLU H . . 5.500 4.343 2.160 5.349 . 0 0 "[ . 1 . 2]" 1
6 1 9 LYS H 1 9 LYS HB2 . . 4.140 3.115 2.026 4.040 . 0 0 "[ . 1 . 2]" 1
7 1 9 LYS H 1 9 LYS HB3 . . 3.860 2.986 2.476 3.917 0.057 15 0 "[ . 1 . 2]" 1
8 1 9 LYS H 1 9 LYS QD . . 5.460 4.074 2.112 5.169 . 0 0 "[ . 1 . 2]" 1
9 1 9 LYS H 1 9 LYS HG2 . . 4.550 3.812 2.589 4.868 0.318 11 0 "[ . 1 . 2]" 1
10 1 9 LYS H 1 10 GLU H . . 4.950 3.573 1.955 4.588 . 0 0 "[ . 1 . 2]" 1
11 1 9 LYS HA 1 9 LYS QD . . 4.340 3.454 2.002 4.361 0.021 17 0 "[ . 1 . 2]" 1
12 1 9 LYS HA 1 9 LYS QE . . 4.860 3.851 2.285 4.869 0.009 3 0 "[ . 1 . 2]" 1
13 1 9 LYS HA 1 9 LYS HG2 . . 3.730 3.130 2.004 4.216 0.486 4 0 "[ . 1 . 2]" 1
14 1 9 LYS HA 1 9 LYS HG3 . . 4.250 3.449 2.660 4.219 . 0 0 "[ . 1 . 2]" 1
15 1 9 LYS HA 1 10 GLU H . . 3.200 2.543 2.179 3.175 . 0 0 "[ . 1 . 2]" 1
16 1 9 LYS HB2 1 10 GLU H . . 4.690 4.316 3.249 4.703 0.013 1 0 "[ . 1 . 2]" 1
17 1 9 LYS HB3 1 10 GLU H . . 5.230 4.218 1.944 4.714 . 0 0 "[ . 1 . 2]" 1
18 1 9 LYS QD 1 9 LYS HG2 . . 2.480 2.396 2.190 2.571 0.091 16 0 "[ . 1 . 2]" 1
19 1 9 LYS QD 1 10 GLU H . . 5.500 4.025 1.942 5.425 . 0 0 "[ . 1 . 2]" 1
20 1 9 LYS QD 1 10 GLU QG . . 5.280 4.558 2.638 5.056 . 0 0 "[ . 1 . 2]" 1
21 1 9 LYS QE 1 9 LYS HG3 . . 3.610 2.731 2.079 3.375 . 0 0 "[ . 1 . 2]" 1
22 1 9 LYS QE 1 10 GLU HA . . 4.440 3.817 2.143 4.441 0.001 19 0 "[ . 1 . 2]" 1
23 1 9 LYS QE 1 10 GLU QG . . 5.370 3.911 2.913 4.820 . 0 0 "[ . 1 . 2]" 1
24 1 9 LYS HG2 1 10 GLU H . . 5.170 4.293 2.748 5.610 0.440 3 0 "[ . 1 . 2]" 1
25 1 10 GLU H 1 10 GLU HB2 . . 3.470 2.855 2.057 3.937 0.467 5 0 "[ . 1 . 2]" 1
26 1 10 GLU H 1 10 GLU HB3 . . 3.980 3.533 2.381 4.055 0.075 12 0 "[ . 1 . 2]" 1
27 1 10 GLU H 1 10 GLU QG . . 4.570 3.219 2.125 4.013 . 0 0 "[ . 1 . 2]" 1
28 1 10 GLU H 1 11 TRP H . . 5.500 4.489 4.225 4.674 . 0 0 "[ . 1 . 2]" 1
29 1 10 GLU HA 1 11 TRP H . . 3.000 2.531 2.351 2.738 . 0 0 "[ . 1 . 2]" 1
30 1 10 GLU HA 1 11 TRP HB2 . . 5.010 4.726 4.490 5.018 0.008 10 0 "[ . 1 . 2]" 1
31 1 10 GLU HA 1 11 TRP HD1 . . 4.300 3.016 2.729 3.287 . 0 0 "[ . 1 . 2]" 1
32 1 10 GLU HB2 1 11 TRP H . . 4.240 3.652 2.308 4.262 0.022 20 0 "[ . 1 . 2]" 1
33 1 10 GLU HB3 1 11 TRP H . . 4.230 2.729 2.041 3.923 . 0 0 "[ . 1 . 2]" 1
34 1 10 GLU HB3 1 11 TRP HD1 . . 4.820 4.761 4.236 5.469 0.649 17 2 "[ - 1 . + 2]" 1
35 1 10 GLU QG 1 11 TRP H . . 4.310 3.224 2.617 3.719 . 0 0 "[ . 1 . 2]" 1
36 1 11 TRP H 1 11 TRP HB2 . . 3.450 2.393 2.302 2.491 . 0 0 "[ . 1 . 2]" 1
37 1 11 TRP H 1 11 TRP HB3 . . 4.130 3.594 3.545 3.631 . 0 0 "[ . 1 . 2]" 1
38 1 11 TRP H 1 11 TRP HD1 . . 3.420 2.768 2.526 3.119 . 0 0 "[ . 1 . 2]" 1
39 1 11 TRP H 1 52 LYS HE2 . . 3.960 2.593 2.241 3.003 . 0 0 "[ . 1 . 2]" 1
40 1 11 TRP H 1 52 LYS HE3 . . 5.500 3.275 2.925 3.778 . 0 0 "[ . 1 . 2]" 1
41 1 11 TRP HA 1 11 TRP HD1 . . 4.320 2.688 2.507 2.869 . 0 0 "[ . 1 . 2]" 1
42 1 11 TRP HA 1 12 ASN H . . 2.950 2.597 2.366 2.732 . 0 0 "[ . 1 . 2]" 1
43 1 11 TRP HA 1 12 ASN HA . . 5.500 4.376 4.313 4.454 . 0 0 "[ . 1 . 2]" 1
44 1 11 TRP HA 1 15 GLU HB2 . . 4.620 3.875 3.614 4.125 . 0 0 "[ . 1 . 2]" 1
45 1 11 TRP HA 1 15 GLU HB3 . . 5.390 4.759 4.259 5.185 . 0 0 "[ . 1 . 2]" 1
46 1 11 TRP HA 1 16 LEU MD1 . . 5.500 5.493 5.373 5.522 0.022 5 0 "[ . 1 . 2]" 1
47 1 11 TRP HA 1 44 ARG HE . . 3.830 3.363 3.156 3.632 . 0 0 "[ . 1 . 2]" 1
48 1 11 TRP HB2 1 12 ASN H . . 4.450 3.512 3.159 3.996 . 0 0 "[ . 1 . 2]" 1
49 1 11 TRP HB2 1 15 GLU HB2 . . 5.250 3.548 3.369 3.788 . 0 0 "[ . 1 . 2]" 1
50 1 11 TRP HB2 1 16 LEU MD1 . . 3.870 2.873 2.707 2.992 . 0 0 "[ . 1 . 2]" 1
51 1 11 TRP HB2 1 16 LEU MD2 . . 4.130 1.878 1.818 1.919 . 0 0 "[ . 1 . 2]" 1
52 1 11 TRP HB2 1 16 LEU HG . . 4.280 4.316 4.288 4.342 0.062 18 0 "[ . 1 . 2]" 1
53 1 11 TRP HB2 1 52 LYS HE2 . . 4.400 2.832 2.374 3.070 . 0 0 "[ . 1 . 2]" 1
54 1 11 TRP HB2 1 52 LYS HE3 . . 4.990 2.064 1.993 2.212 . 0 0 "[ . 1 . 2]" 1
55 1 11 TRP HB3 1 12 ASN H . . 3.890 2.287 2.022 2.795 . 0 0 "[ . 1 . 2]" 1
56 1 11 TRP HB3 1 15 GLU HB2 . . 4.410 1.986 1.912 2.121 . 0 0 "[ . 1 . 2]" 1
57 1 11 TRP HB3 1 15 GLU HB3 . . 4.490 2.809 2.259 3.297 . 0 0 "[ . 1 . 2]" 1
58 1 11 TRP HB3 1 15 GLU QG . . 3.930 3.555 3.284 3.730 . 0 0 "[ . 1 . 2]" 1
59 1 11 TRP HB3 1 16 LEU H . . 4.780 3.441 3.168 3.863 . 0 0 "[ . 1 . 2]" 1
60 1 11 TRP HB3 1 16 LEU HA . . 5.220 4.557 4.338 4.707 . 0 0 "[ . 1 . 2]" 1
61 1 11 TRP HB3 1 16 LEU MD1 . . 3.860 3.749 3.561 3.867 0.007 14 0 "[ . 1 . 2]" 1
62 1 11 TRP HB3 1 16 LEU MD2 . . 4.260 2.167 1.915 2.443 . 0 0 "[ . 1 . 2]" 1
63 1 11 TRP HB3 1 52 LYS HE2 . . 4.970 4.229 3.779 4.528 . 0 0 "[ . 1 . 2]" 1
64 1 11 TRP HB3 1 52 LYS HE3 . . 5.500 3.381 3.109 3.542 . 0 0 "[ . 1 . 2]" 1
65 1 11 TRP HD1 1 52 LYS HD3 . . 5.300 4.800 4.664 4.972 . 0 0 "[ . 1 . 2]" 1
66 1 11 TRP HD1 1 52 LYS HE2 . . 4.970 2.857 2.581 3.133 . 0 0 "[ . 1 . 2]" 1
67 1 11 TRP HD1 1 52 LYS HE3 . . 4.870 3.735 3.353 4.085 . 0 0 "[ . 1 . 2]" 1
68 1 11 TRP HE1 1 44 ARG HD2 . . 4.740 2.920 2.707 3.107 . 0 0 "[ . 1 . 2]" 1
69 1 11 TRP HE1 1 44 ARG HD3 . . 5.130 4.334 4.137 4.524 . 0 0 "[ . 1 . 2]" 1
70 1 11 TRP HE1 1 48 GLU HB3 . . 4.880 3.553 3.416 3.662 . 0 0 "[ . 1 . 2]" 1
71 1 11 TRP HE1 1 48 GLU QG . . 5.040 4.875 4.845 4.899 . 0 0 "[ . 1 . 2]" 1
72 1 11 TRP HE1 1 52 LYS QB . . 4.260 3.412 3.097 3.595 . 0 0 "[ . 1 . 2]" 1
73 1 11 TRP HE1 1 52 LYS HD3 . . 5.160 4.880 4.672 5.139 . 0 0 "[ . 1 . 2]" 1
74 1 11 TRP HE1 1 52 LYS HE2 . . 4.970 3.972 3.627 4.471 . 0 0 "[ . 1 . 2]" 1
75 1 11 TRP HE1 1 52 LYS HE3 . . 5.060 4.657 4.413 5.056 . 0 0 "[ . 1 . 2]" 1
76 1 11 TRP HE3 1 15 GLU HB2 . . 4.770 2.813 2.264 3.346 . 0 0 "[ . 1 . 2]" 1
77 1 11 TRP HE3 1 15 GLU HB3 . . 4.350 2.047 1.986 2.169 . 0 0 "[ . 1 . 2]" 1
78 1 11 TRP HE3 1 15 GLU QG . . 4.670 3.874 3.571 4.124 . 0 0 "[ . 1 . 2]" 1
79 1 11 TRP HE3 1 16 LEU H . . 5.260 3.708 3.293 4.187 . 0 0 "[ . 1 . 2]" 1
80 1 11 TRP HE3 1 16 LEU HA . . 4.070 3.408 3.287 3.536 . 0 0 "[ . 1 . 2]" 1
81 1 11 TRP HE3 1 16 LEU MD1 . . 4.570 3.352 3.011 3.558 . 0 0 "[ . 1 . 2]" 1
82 1 11 TRP HE3 1 19 LEU HB2 . . 3.700 3.586 3.251 3.706 0.006 20 0 "[ . 1 . 2]" 1
83 1 11 TRP HE3 1 19 LEU HB3 . . 4.200 4.009 3.838 4.164 . 0 0 "[ . 1 . 2]" 1
84 1 11 TRP HE3 1 19 LEU MD1 . . 5.180 4.822 4.385 5.010 . 0 0 "[ . 1 . 2]" 1
85 1 11 TRP HE3 1 19 LEU MD2 . . 3.900 3.449 3.220 3.724 . 0 0 "[ . 1 . 2]" 1
86 1 11 TRP HE3 1 41 VAL QG . . 3.740 3.464 3.179 3.657 . 0 0 "[ . 1 . 2]" 1
87 1 11 TRP HH2 1 19 LEU HB2 . . 4.610 4.390 4.090 4.631 0.021 4 0 "[ . 1 . 2]" 1
88 1 11 TRP HH2 1 19 LEU MD2 . . 5.140 4.045 3.672 4.367 . 0 0 "[ . 1 . 2]" 1
89 1 11 TRP HZ2 1 44 ARG HB2 . . 4.700 3.807 3.651 3.936 . 0 0 "[ . 1 . 2]" 1
90 1 11 TRP HZ2 1 44 ARG HB3 . . 4.770 3.143 3.004 3.256 . 0 0 "[ . 1 . 2]" 1
91 1 11 TRP HZ2 1 44 ARG HD2 . . 4.490 2.899 2.771 3.012 . 0 0 "[ . 1 . 2]" 1
92 1 11 TRP HZ2 1 44 ARG HD3 . . 4.940 4.469 4.368 4.552 . 0 0 "[ . 1 . 2]" 1
93 1 11 TRP HZ2 1 44 ARG HG2 . . 5.500 5.293 5.168 5.421 . 0 0 "[ . 1 . 2]" 1
94 1 11 TRP HZ2 1 44 ARG HG3 . . 5.010 4.146 3.976 4.263 . 0 0 "[ . 1 . 2]" 1
95 1 11 TRP HZ2 1 48 GLU H . . 5.500 4.579 4.529 4.625 . 0 0 "[ . 1 . 2]" 1
96 1 11 TRP HZ2 1 48 GLU HA . . 4.930 4.019 3.888 4.131 . 0 0 "[ . 1 . 2]" 1
97 1 11 TRP HZ2 1 48 GLU HB2 . . 4.290 2.318 2.239 2.410 . 0 0 "[ . 1 . 2]" 1
98 1 11 TRP HZ2 1 48 GLU HB3 . . 3.800 1.974 1.960 1.987 . 0 0 "[ . 1 . 2]" 1
99 1 11 TRP HZ2 1 48 GLU QG . . 4.480 3.793 3.674 3.965 . 0 0 "[ . 1 . 2]" 1
100 1 11 TRP HZ2 1 49 CYS H . . 4.870 3.972 3.874 4.056 . 0 0 "[ . 1 . 2]" 1
101 1 11 TRP HZ2 1 49 CYS HA . . 3.570 3.586 3.572 3.614 0.044 10 0 "[ . 1 . 2]" 1
102 1 11 TRP HZ2 1 52 LYS QB . . 4.030 3.122 2.669 3.463 . 0 0 "[ . 1 . 2]" 1
103 1 11 TRP HZ3 1 15 GLU HB3 . . 5.220 3.420 2.868 3.941 . 0 0 "[ . 1 . 2]" 1
104 1 11 TRP HZ3 1 16 LEU HA . . 5.500 4.663 4.428 4.847 . 0 0 "[ . 1 . 2]" 1
105 1 11 TRP HZ3 1 19 LEU HB2 . . 4.860 2.336 2.123 2.532 . 0 0 "[ . 1 . 2]" 1
106 1 11 TRP HZ3 1 19 LEU MD1 . . 3.500 3.038 2.547 3.322 . 0 0 "[ . 1 . 2]" 1
107 1 11 TRP HZ3 1 19 LEU MD2 . . 3.900 2.978 2.603 3.283 . 0 0 "[ . 1 . 2]" 1
108 1 11 TRP HZ3 1 41 VAL QG . . 4.000 2.059 1.939 2.238 . 0 0 "[ . 1 . 2]" 1
109 1 11 TRP HZ3 1 44 ARG HB2 . . 4.970 3.754 3.478 3.920 . 0 0 "[ . 1 . 2]" 1
110 1 11 TRP HZ3 1 44 ARG HB3 . . 4.970 4.905 4.671 4.994 0.024 19 0 "[ . 1 . 2]" 1
111 1 11 TRP HZ3 1 44 ARG HG2 . . 5.450 5.244 5.016 5.438 . 0 0 "[ . 1 . 2]" 1
112 1 11 TRP HZ3 1 44 ARG HG3 . . 4.740 3.604 3.417 3.792 . 0 0 "[ . 1 . 2]" 1
113 1 11 TRP HZ3 1 49 CYS HA . . 3.720 3.437 3.305 3.725 0.005 19 0 "[ . 1 . 2]" 1
114 1 11 TRP HZ3 1 52 LYS QB . . 4.950 4.256 4.132 4.513 . 0 0 "[ . 1 . 2]" 1
115 1 12 ASN H 1 12 ASN HB3 . . 3.970 3.032 2.721 3.674 . 0 0 "[ . 1 . 2]" 1
116 1 12 ASN H 1 12 ASN HD21 . . 5.000 3.936 1.930 4.676 . 0 0 "[ . 1 . 2]" 1
117 1 12 ASN H 1 12 ASN HD22 . . 5.260 4.059 3.358 4.605 . 0 0 "[ . 1 . 2]" 1
118 1 12 ASN H 1 15 GLU H . . 4.450 3.127 2.955 3.480 . 0 0 "[ . 1 . 2]" 1
119 1 12 ASN H 1 15 GLU HB2 . . 3.520 2.239 1.943 2.756 . 0 0 "[ . 1 . 2]" 1
120 1 12 ASN H 1 15 GLU HB3 . . 4.250 3.799 3.470 4.261 0.011 11 0 "[ . 1 . 2]" 1
121 1 12 ASN H 1 15 GLU QG . . 4.690 3.037 2.364 3.596 . 0 0 "[ . 1 . 2]" 1
122 1 12 ASN H 1 16 LEU H . . 4.880 3.681 3.056 4.112 . 0 0 "[ . 1 . 2]" 1
123 1 12 ASN HA 1 13 GLU H . . 3.600 2.479 2.394 2.824 . 0 0 "[ . 1 . 2]" 1
124 1 12 ASN HA 1 13 GLU HA . . 4.870 4.301 4.298 4.331 . 0 0 "[ . 1 . 2]" 1
125 1 12 ASN HA 1 13 GLU QB . . 4.950 4.369 4.237 4.733 . 0 0 "[ . 1 . 2]" 1
126 1 12 ASN HA 1 14 LYS H . . 4.830 4.397 3.937 4.911 0.081 10 0 "[ . 1 . 2]" 1
127 1 12 ASN HA 1 15 GLU HB2 . . 5.500 4.707 4.381 5.127 . 0 0 "[ . 1 . 2]" 1
128 1 12 ASN HA 1 16 LEU MD2 . . 5.270 3.088 2.627 3.435 . 0 0 "[ . 1 . 2]" 1
129 1 12 ASN HB2 1 13 GLU H . . 3.800 2.685 2.242 3.322 . 0 0 "[ . 1 . 2]" 1
130 1 12 ASN HB2 1 13 GLU QB . . 5.310 3.971 3.814 4.555 . 0 0 "[ . 1 . 2]" 1
131 1 12 ASN HB2 1 14 LYS H . . 4.420 3.008 2.149 3.820 . 0 0 "[ . 1 . 2]" 1
132 1 12 ASN HB3 1 12 ASN HD21 . . 3.660 2.502 2.102 3.242 . 0 0 "[ . 1 . 2]" 1
133 1 12 ASN HB3 1 13 GLU H . . 4.260 3.848 2.843 4.032 . 0 0 "[ . 1 . 2]" 1
134 1 12 ASN HB3 1 14 LYS H . . 4.760 4.377 3.105 4.791 0.031 14 0 "[ . 1 . 2]" 1
135 1 12 ASN HD21 1 14 LYS H . . 5.060 4.204 2.837 5.082 0.022 20 0 "[ . 1 . 2]" 1
136 1 12 ASN HD21 1 14 LYS HB3 . . 5.500 4.496 2.283 5.572 0.072 20 0 "[ . 1 . 2]" 1
137 1 12 ASN HD21 1 15 GLU QG . . 5.250 3.942 2.349 4.538 . 0 0 "[ . 1 . 2]" 1
138 1 12 ASN HD22 1 14 LYS H . . 5.500 4.172 3.034 5.506 0.006 19 0 "[ . 1 . 2]" 1
139 1 12 ASN HD22 1 15 GLU H . . 5.500 3.550 1.906 4.943 . 0 0 "[ . 1 . 2]" 1
140 1 12 ASN HD22 1 15 GLU QG . . 4.330 2.915 1.937 3.521 . 0 0 "[ . 1 . 2]" 1
141 1 13 GLU H 1 13 GLU QB . . 3.840 2.107 2.013 2.584 . 0 0 "[ . 1 . 2]" 1
142 1 13 GLU H 1 13 GLU HG2 . . 4.920 4.283 3.006 4.638 . 0 0 "[ . 1 . 2]" 1
143 1 13 GLU H 1 13 GLU HG3 . . 4.890 3.751 2.540 4.334 . 0 0 "[ . 1 . 2]" 1
144 1 13 GLU H 1 14 LYS H . . 4.470 2.980 2.761 3.123 . 0 0 "[ . 1 . 2]" 1
145 1 13 GLU HA 1 13 GLU HG2 . . 4.160 2.957 1.960 3.532 . 0 0 "[ . 1 . 2]" 1
146 1 13 GLU HA 1 13 GLU HG3 . . 4.060 2.358 2.003 3.456 . 0 0 "[ . 1 . 2]" 1
147 1 13 GLU HA 1 15 GLU H . . 5.290 4.433 4.268 5.187 . 0 0 "[ . 1 . 2]" 1
148 1 13 GLU HA 1 16 LEU H . . 3.880 3.395 3.166 3.604 . 0 0 "[ . 1 . 2]" 1
149 1 13 GLU HA 1 16 LEU HB2 . . 3.360 2.193 2.077 2.415 . 0 0 "[ . 1 . 2]" 1
150 1 13 GLU HA 1 16 LEU HB3 . . 4.170 3.715 3.426 3.978 . 0 0 "[ . 1 . 2]" 1
151 1 13 GLU HA 1 16 LEU MD1 . . 5.100 4.805 4.607 5.072 . 0 0 "[ . 1 . 2]" 1
152 1 13 GLU HA 1 16 LEU MD2 . . 3.420 2.897 2.740 3.433 0.013 10 0 "[ . 1 . 2]" 1
153 1 13 GLU HA 1 17 GLN H . . 3.580 3.271 2.840 3.614 0.034 20 0 "[ . 1 . 2]" 1
154 1 13 GLU QB 1 14 LYS H . . 3.740 2.689 2.321 3.119 . 0 0 "[ . 1 . 2]" 1
155 1 13 GLU QB 1 14 LYS HA . . 4.770 3.818 3.664 4.212 . 0 0 "[ . 1 . 2]" 1
156 1 13 GLU QB 1 14 LYS HG2 . . 5.440 4.921 3.927 5.423 . 0 0 "[ . 1 . 2]" 1
157 1 13 GLU QB 1 14 LYS HG3 . . 5.410 4.490 3.063 5.337 . 0 0 "[ . 1 . 2]" 1
158 1 13 GLU QB 1 16 LEU MD2 . . 5.500 4.460 4.315 4.773 . 0 0 "[ . 1 . 2]" 1
159 1 13 GLU QB 1 17 GLN H . . 5.500 4.479 4.143 4.986 . 0 0 "[ . 1 . 2]" 1
160 1 13 GLU HG2 1 14 LYS H . . 5.200 4.787 3.795 5.222 0.022 20 0 "[ . 1 . 2]" 1
161 1 13 GLU HG3 1 14 LYS H . . 5.010 4.912 4.534 5.128 0.118 10 0 "[ . 1 . 2]" 1
162 1 14 LYS H 1 14 LYS HB2 . . 3.320 2.108 2.007 2.552 . 0 0 "[ . 1 . 2]" 1
163 1 14 LYS H 1 14 LYS HB3 . . 3.480 3.365 3.109 3.547 0.067 14 0 "[ . 1 . 2]" 1
164 1 14 LYS H 1 14 LYS QD . . 5.070 3.939 1.962 4.723 . 0 0 "[ . 1 . 2]" 1
165 1 14 LYS H 1 14 LYS QE . . 5.500 4.688 3.961 5.503 0.003 9 0 "[ . 1 . 2]" 1
166 1 14 LYS H 1 14 LYS HG2 . . 4.020 3.781 2.970 4.191 0.171 9 0 "[ . 1 . 2]" 1
167 1 14 LYS H 1 14 LYS HG3 . . 4.370 3.349 2.046 3.877 . 0 0 "[ . 1 . 2]" 1
168 1 14 LYS H 1 15 GLU HA . . 5.500 5.324 5.069 5.482 . 0 0 "[ . 1 . 2]" 1
169 1 14 LYS H 1 15 GLU QG . . 4.960 4.736 4.332 4.871 . 0 0 "[ . 1 . 2]" 1
170 1 14 LYS HA 1 14 LYS QD . . 4.260 3.392 2.112 4.013 . 0 0 "[ . 1 . 2]" 1
171 1 14 LYS HA 1 14 LYS QE . . 5.020 4.108 2.151 4.615 . 0 0 "[ . 1 . 2]" 1
172 1 14 LYS HA 1 14 LYS HG2 . . 4.020 2.404 1.996 3.547 . 0 0 "[ . 1 . 2]" 1
173 1 14 LYS HA 1 14 LYS HG3 . . 3.830 2.801 2.234 3.524 . 0 0 "[ . 1 . 2]" 1
174 1 14 LYS HB2 1 14 LYS QE . . 4.830 3.681 2.707 4.297 . 0 0 "[ . 1 . 2]" 1
175 1 14 LYS HB2 1 15 GLU H . . 4.260 2.964 2.433 3.326 . 0 0 "[ . 1 . 2]" 1
176 1 14 LYS HB3 1 15 GLU H . . 3.880 3.104 2.738 3.598 . 0 0 "[ . 1 . 2]" 1
177 1 14 LYS QD 1 14 LYS HG2 . . 2.670 2.346 2.179 2.567 . 0 0 "[ . 1 . 2]" 1
178 1 14 LYS QD 1 14 LYS HG3 . . 2.770 2.414 2.181 2.566 . 0 0 "[ . 1 . 2]" 1
179 1 15 GLU H 1 15 GLU HB2 . . 3.460 2.406 2.342 2.563 . 0 0 "[ . 1 . 2]" 1
180 1 15 GLU H 1 15 GLU QG . . 3.310 2.458 2.307 2.573 . 0 0 "[ . 1 . 2]" 1
181 1 15 GLU HA 1 15 GLU QG . . 3.240 2.650 2.336 3.109 . 0 0 "[ . 1 . 2]" 1
182 1 15 GLU HA 1 17 GLN H . . 5.500 5.080 4.907 5.225 . 0 0 "[ . 1 . 2]" 1
183 1 15 GLU HA 1 18 LYS H . . 4.090 3.460 3.296 3.632 . 0 0 "[ . 1 . 2]" 1
184 1 15 GLU HA 1 18 LYS HB2 . . 3.620 2.327 2.149 2.541 . 0 0 "[ . 1 . 2]" 1
185 1 15 GLU HA 1 18 LYS HB3 . . 4.280 3.781 3.523 4.052 . 0 0 "[ . 1 . 2]" 1
186 1 15 GLU HA 1 18 LYS HD2 . . 4.740 3.559 2.005 3.775 . 0 0 "[ . 1 . 2]" 1
187 1 15 GLU HA 1 18 LYS HD3 . . 5.100 4.932 2.398 5.141 0.041 16 0 "[ . 1 . 2]" 1
188 1 15 GLU HA 1 18 LYS HE2 . . 4.330 3.510 2.870 4.088 . 0 0 "[ . 1 . 2]" 1
189 1 15 GLU HA 1 18 LYS HE3 . . 4.480 3.642 2.506 4.504 0.024 20 0 "[ . 1 . 2]" 1
190 1 15 GLU HA 1 18 LYS HG2 . . 5.250 4.953 4.364 5.129 . 0 0 "[ . 1 . 2]" 1
191 1 15 GLU HA 1 18 LYS HG3 . . 5.410 3.776 3.521 3.972 . 0 0 "[ . 1 . 2]" 1
192 1 15 GLU HA 1 19 LEU H . . 4.840 4.001 3.799 4.153 . 0 0 "[ . 1 . 2]" 1
193 1 15 GLU HA 1 41 VAL HA . . 5.140 4.051 3.766 4.191 . 0 0 "[ . 1 . 2]" 1
194 1 15 GLU HA 1 41 VAL QG . . 3.580 3.219 3.015 3.303 . 0 0 "[ . 1 . 2]" 1
195 1 15 GLU HB2 1 16 LEU H . . 3.410 2.447 2.237 2.831 . 0 0 "[ . 1 . 2]" 1
196 1 15 GLU HB2 1 16 LEU HA . . 5.120 4.252 4.129 4.384 . 0 0 "[ . 1 . 2]" 1
197 1 15 GLU HB2 1 16 LEU MD1 . . 4.770 4.441 4.283 4.635 . 0 0 "[ . 1 . 2]" 1
198 1 15 GLU HB2 1 16 LEU MD2 . . 5.040 2.558 2.456 2.763 . 0 0 "[ . 1 . 2]" 1
199 1 15 GLU HB2 1 41 VAL QG . . 4.670 4.426 4.211 4.553 . 0 0 "[ . 1 . 2]" 1
200 1 15 GLU HB3 1 16 LEU H . . 3.900 3.448 3.196 3.857 . 0 0 "[ . 1 . 2]" 1
201 1 15 GLU HB3 1 16 LEU HA . . 5.170 4.295 4.187 4.492 . 0 0 "[ . 1 . 2]" 1
202 1 15 GLU HB3 1 16 LEU MD1 . . 5.500 4.711 4.461 5.023 . 0 0 "[ . 1 . 2]" 1
203 1 15 GLU HB3 1 16 LEU MD2 . . 4.390 3.481 3.244 3.830 . 0 0 "[ . 1 . 2]" 1
204 1 15 GLU HB3 1 41 VAL QG . . 4.100 3.121 2.898 3.262 . 0 0 "[ . 1 . 2]" 1
205 1 15 GLU QG 1 41 VAL QG . . 3.680 3.413 3.259 3.550 . 0 0 "[ . 1 . 2]" 1
206 1 15 GLU QG 1 44 ARG HE . . 5.500 2.432 1.918 3.068 . 0 0 "[ . 1 . 2]" 1
207 1 15 GLU QG 1 44 ARG HG2 . . 5.420 2.843 2.668 3.135 . 0 0 "[ . 1 . 2]" 1
208 1 16 LEU H 1 16 LEU HB2 . . 3.100 2.290 2.126 2.368 . 0 0 "[ . 1 . 2]" 1
209 1 16 LEU H 1 16 LEU HB3 . . 3.650 3.506 3.433 3.533 . 0 0 "[ . 1 . 2]" 1
210 1 16 LEU H 1 16 LEU MD1 . . 4.030 3.531 3.380 3.780 . 0 0 "[ . 1 . 2]" 1
211 1 16 LEU H 1 16 LEU MD2 . . 3.960 1.893 1.798 2.278 . 0 0 "[ . 1 . 2]" 1
212 1 16 LEU H 1 17 GLN HG2 . . 5.500 4.372 4.061 4.632 . 0 0 "[ . 1 . 2]" 1
213 1 16 LEU H 1 19 LEU HB3 . . 5.340 4.852 4.709 5.286 . 0 0 "[ . 1 . 2]" 1
214 1 16 LEU HA 1 16 LEU MD1 . . 3.060 2.006 1.892 2.130 . 0 0 "[ . 1 . 2]" 1
215 1 16 LEU HA 1 16 LEU MD2 . . 3.960 2.706 2.572 2.870 . 0 0 "[ . 1 . 2]" 1
216 1 16 LEU HA 1 16 LEU HG . . 4.180 3.661 3.582 3.692 . 0 0 "[ . 1 . 2]" 1
217 1 16 LEU HA 1 19 LEU H . . 3.870 3.237 3.122 3.373 . 0 0 "[ . 1 . 2]" 1
218 1 16 LEU HA 1 19 LEU HB2 . . 4.080 3.672 3.465 3.939 . 0 0 "[ . 1 . 2]" 1
219 1 16 LEU HA 1 19 LEU HB3 . . 3.380 2.486 2.363 2.836 . 0 0 "[ . 1 . 2]" 1
220 1 16 LEU HA 1 19 LEU MD2 . . 3.990 3.266 3.081 3.667 . 0 0 "[ . 1 . 2]" 1
221 1 16 LEU HA 1 20 HIS HD2 . . 4.740 2.755 2.660 2.892 . 0 0 "[ . 1 . 2]" 1
222 1 16 LEU HB2 1 16 LEU MD2 . . 3.150 2.335 2.237 2.392 . 0 0 "[ . 1 . 2]" 1
223 1 16 LEU HB2 1 17 GLN H . . 3.950 2.365 2.294 2.482 . 0 0 "[ . 1 . 2]" 1
224 1 16 LEU HB2 1 20 HIS HD2 . . 5.040 4.688 4.432 4.954 . 0 0 "[ . 1 . 2]" 1
225 1 16 LEU HB3 1 16 LEU MD1 . . 3.310 2.369 2.292 2.484 . 0 0 "[ . 1 . 2]" 1
226 1 16 LEU HB3 1 16 LEU MD2 . . 3.330 3.213 3.186 3.222 . 0 0 "[ . 1 . 2]" 1
227 1 16 LEU HB3 1 17 GLN H . . 4.430 2.910 2.746 2.998 . 0 0 "[ . 1 . 2]" 1
228 1 16 LEU HB3 1 17 GLN QB . . 4.900 4.513 4.410 4.579 . 0 0 "[ . 1 . 2]" 1
229 1 16 LEU HB3 1 20 HIS HD2 . . 4.830 3.296 3.001 3.611 . 0 0 "[ . 1 . 2]" 1
230 1 16 LEU HB3 1 20 HIS HE1 . . 5.170 5.170 5.130 5.187 0.017 20 0 "[ . 1 . 2]" 1
231 1 16 LEU MD1 1 19 LEU H . . 5.190 4.632 4.412 4.880 . 0 0 "[ . 1 . 2]" 1
232 1 16 LEU MD1 1 19 LEU HB3 . . 4.190 3.327 2.989 3.691 . 0 0 "[ . 1 . 2]" 1
233 1 16 LEU MD1 1 20 HIS HD2 . . 4.680 2.697 2.333 2.922 . 0 0 "[ . 1 . 2]" 1
234 1 16 LEU MD1 1 20 HIS HE1 . . 4.800 4.175 3.936 4.302 . 0 0 "[ . 1 . 2]" 1
235 1 16 LEU MD1 1 52 LYS HD2 . . 3.770 3.343 3.206 3.539 . 0 0 "[ . 1 . 2]" 1
236 1 16 LEU MD1 1 52 LYS HD3 . . 5.370 4.429 4.291 4.541 . 0 0 "[ . 1 . 2]" 1
237 1 16 LEU MD1 1 52 LYS HE2 . . 4.120 3.924 3.696 4.084 . 0 0 "[ . 1 . 2]" 1
238 1 16 LEU MD1 1 52 LYS HE3 . . 3.810 2.548 2.297 2.910 . 0 0 "[ . 1 . 2]" 1
239 1 16 LEU MD1 1 52 LYS HG3 . . 3.770 3.510 3.360 3.784 0.014 20 0 "[ . 1 . 2]" 1
240 1 16 LEU MD2 1 17 GLN H . . 5.500 4.058 3.992 4.214 . 0 0 "[ . 1 . 2]" 1
241 1 16 LEU MD2 1 20 HIS HD2 . . 4.900 4.888 4.786 4.925 0.025 20 0 "[ . 1 . 2]" 1
242 1 16 LEU MD2 1 52 LYS HD2 . . 4.640 4.619 4.370 4.651 0.011 6 0 "[ . 1 . 2]" 1
243 1 16 LEU MD2 1 52 LYS HE2 . . 5.010 3.906 3.586 4.085 . 0 0 "[ . 1 . 2]" 1
244 1 16 LEU MD2 1 52 LYS HE3 . . 4.720 2.986 2.762 3.198 . 0 0 "[ . 1 . 2]" 1
245 1 16 LEU MD2 1 52 LYS HG2 . . 5.310 4.182 3.929 4.335 . 0 0 "[ . 1 . 2]" 1
246 1 16 LEU MD2 1 52 LYS HG3 . . 5.340 5.128 4.952 5.237 . 0 0 "[ . 1 . 2]" 1
247 1 16 LEU HG 1 20 HIS HD2 . . 5.500 5.051 4.500 5.417 . 0 0 "[ . 1 . 2]" 1
248 1 17 GLN H 1 17 GLN QB . . 3.080 2.263 2.181 2.403 . 0 0 "[ . 1 . 2]" 1
249 1 17 GLN H 1 17 GLN HG2 . . 3.810 2.531 2.324 2.758 . 0 0 "[ . 1 . 2]" 1
250 1 17 GLN H 1 17 GLN HG3 . . 4.000 3.604 3.077 3.883 . 0 0 "[ . 1 . 2]" 1
251 1 17 GLN H 1 18 LYS H . . 3.460 2.927 2.859 3.014 . 0 0 "[ . 1 . 2]" 1
252 1 17 GLN H 1 18 LYS HB2 . . 5.310 4.896 4.814 5.117 . 0 0 "[ . 1 . 2]" 1
253 1 17 GLN HA 1 17 GLN HG2 . . 3.870 3.807 3.774 3.861 . 0 0 "[ . 1 . 2]" 1
254 1 17 GLN HA 1 17 GLN HG3 . . 3.650 3.664 3.634 3.703 0.053 11 0 "[ . 1 . 2]" 1
255 1 17 GLN HA 1 19 LEU H . . 5.110 4.575 4.271 4.830 . 0 0 "[ . 1 . 2]" 1
256 1 17 GLN HA 1 20 HIS H . . 3.910 3.593 3.445 3.718 . 0 0 "[ . 1 . 2]" 1
257 1 17 GLN HA 1 20 HIS HB2 . . 3.690 2.721 2.579 2.827 . 0 0 "[ . 1 . 2]" 1
258 1 17 GLN HA 1 20 HIS HB3 . . 4.610 4.390 4.217 4.500 . 0 0 "[ . 1 . 2]" 1
259 1 17 GLN HA 1 20 HIS HD2 . . 4.910 4.190 4.049 4.360 . 0 0 "[ . 1 . 2]" 1
260 1 17 GLN HA 1 21 CYS H . . 4.740 3.241 3.160 3.330 . 0 0 "[ . 1 . 2]" 1
261 1 17 GLN QB 1 17 GLN HG3 . . 2.650 2.422 2.385 2.496 . 0 0 "[ . 1 . 2]" 1
262 1 17 GLN QB 1 18 LYS H . . 3.490 3.502 3.394 3.581 0.091 20 0 "[ . 1 . 2]" 1
263 1 17 GLN QB 1 18 LYS HA . . 4.740 4.483 4.388 4.519 . 0 0 "[ . 1 . 2]" 1
264 1 17 GLN QB 1 18 LYS HG2 . . 5.250 5.327 5.278 5.381 0.131 14 0 "[ . 1 . 2]" 1
265 1 17 GLN QB 1 18 LYS HG3 . . 4.940 4.635 4.197 4.821 . 0 0 "[ . 1 . 2]" 1
266 1 17 GLN HG2 1 18 LYS H . . 4.990 2.370 1.944 3.030 . 0 0 "[ . 1 . 2]" 1
267 1 17 GLN HG2 1 18 LYS HA . . 5.370 4.395 4.000 5.020 . 0 0 "[ . 1 . 2]" 1
268 1 17 GLN HG3 1 18 LYS H . . 4.860 2.306 2.070 2.403 . 0 0 "[ . 1 . 2]" 1
269 1 17 GLN HG3 1 18 LYS HA . . 5.160 3.057 2.953 3.326 . 0 0 "[ . 1 . 2]" 1
270 1 17 GLN HG3 1 18 LYS HD3 . . 5.500 5.251 4.883 5.387 . 0 0 "[ . 1 . 2]" 1
271 1 18 LYS H 1 18 LYS HB2 . . 3.350 2.191 2.135 2.435 . 0 0 "[ . 1 . 2]" 1
272 1 18 LYS H 1 18 LYS HB3 . . 3.840 3.470 3.437 3.545 . 0 0 "[ . 1 . 2]" 1
273 1 18 LYS H 1 18 LYS HD2 . . 4.920 4.555 3.516 4.705 . 0 0 "[ . 1 . 2]" 1
274 1 18 LYS H 1 18 LYS HG2 . . 4.070 3.677 3.574 3.757 . 0 0 "[ . 1 . 2]" 1
275 1 18 LYS H 1 18 LYS HG3 . . 3.480 2.741 2.163 2.935 . 0 0 "[ . 1 . 2]" 1
276 1 18 LYS H 1 19 LEU H . . 3.260 2.644 2.558 2.754 . 0 0 "[ . 1 . 2]" 1
277 1 18 LYS H 1 19 LEU HB3 . . 5.170 4.614 4.573 4.715 . 0 0 "[ . 1 . 2]" 1
278 1 18 LYS H 1 41 VAL QG . . 5.160 3.857 3.747 3.902 . 0 0 "[ . 1 . 2]" 1
279 1 18 LYS HA 1 18 LYS HD2 . . 4.660 4.258 4.179 4.707 0.047 20 0 "[ . 1 . 2]" 1
280 1 18 LYS HA 1 18 LYS HG2 . . 3.200 2.208 2.111 2.661 . 0 0 "[ . 1 . 2]" 1
281 1 18 LYS HA 1 18 LYS HG3 . . 3.570 2.912 2.773 2.955 . 0 0 "[ . 1 . 2]" 1
282 1 18 LYS HA 1 21 CYS H . . 4.150 3.753 3.611 3.890 . 0 0 "[ . 1 . 2]" 1
283 1 18 LYS HA 1 21 CYS HB2 . . 3.600 3.606 3.561 3.628 0.028 20 0 "[ . 1 . 2]" 1
284 1 18 LYS HA 1 21 CYS HB3 . . 3.600 2.456 2.325 2.594 . 0 0 "[ . 1 . 2]" 1
285 1 18 LYS HA 1 41 VAL HA . . 5.090 5.011 4.867 5.117 0.027 20 0 "[ . 1 . 2]" 1
286 1 18 LYS HA 1 41 VAL QG . . 5.300 3.448 3.375 3.523 . 0 0 "[ . 1 . 2]" 1
287 1 18 LYS HB2 1 18 LYS HD2 . . 4.040 2.687 2.563 2.859 . 0 0 "[ . 1 . 2]" 1
288 1 18 LYS HB2 1 18 LYS HE2 . . 5.500 3.425 3.146 4.748 . 0 0 "[ . 1 . 2]" 1
289 1 18 LYS HB2 1 18 LYS HE3 . . 4.390 3.841 2.948 4.384 . 0 0 "[ . 1 . 2]" 1
290 1 18 LYS HB2 1 19 LEU H . . 3.670 2.784 2.422 2.982 . 0 0 "[ . 1 . 2]" 1
291 1 18 LYS HB2 1 19 LEU HB3 . . 5.060 4.922 4.686 5.039 . 0 0 "[ . 1 . 2]" 1
292 1 18 LYS HB2 1 41 VAL HA . . 3.490 3.284 3.077 3.450 . 0 0 "[ . 1 . 2]" 1
293 1 18 LYS HB2 1 41 VAL QG . . 3.750 2.634 1.945 2.878 . 0 0 "[ . 1 . 2]" 1
294 1 18 LYS HB3 1 18 LYS HD2 . . 4.110 2.307 2.165 3.683 . 0 0 "[ . 1 . 2]" 1
295 1 18 LYS HB3 1 18 LYS HD3 . . 4.130 3.168 2.616 3.322 . 0 0 "[ . 1 . 2]" 1
296 1 18 LYS HB3 1 18 LYS HE3 . . 4.980 4.233 3.766 4.639 . 0 0 "[ . 1 . 2]" 1
297 1 18 LYS HB3 1 18 LYS HG3 . . 3.020 3.044 3.032 3.052 0.032 4 0 "[ . 1 . 2]" 1
298 1 18 LYS HB3 1 19 LEU H . . 4.280 3.400 3.179 3.605 . 0 0 "[ . 1 . 2]" 1
299 1 18 LYS HB3 1 40 ALA MB . . 4.290 3.317 2.912 3.575 . 0 0 "[ . 1 . 2]" 1
300 1 18 LYS HB3 1 41 VAL HA . . 3.390 2.402 2.252 2.649 . 0 0 "[ . 1 . 2]" 1
301 1 18 LYS HB3 1 41 VAL QG . . 4.210 1.894 1.852 1.980 . 0 0 "[ . 1 . 2]" 1
302 1 18 LYS HD2 1 41 VAL HA . . 4.040 2.193 1.982 3.907 . 0 0 "[ . 1 . 2]" 1
303 1 18 LYS HD2 1 41 VAL QG . . 5.290 3.205 3.044 3.848 . 0 0 "[ . 1 . 2]" 1
304 1 18 LYS HD3 1 41 VAL HA . . 3.710 3.493 2.186 3.654 . 0 0 "[ . 1 . 2]" 1
305 1 18 LYS HD3 1 41 VAL QG . . 5.440 4.078 2.945 4.264 . 0 0 "[ . 1 . 2]" 1
306 1 18 LYS HE2 1 41 VAL HA . . 4.860 4.692 4.181 4.900 0.040 13 0 "[ . 1 . 2]" 1
307 1 18 LYS HE3 1 18 LYS HG3 . . 3.900 3.328 2.750 3.811 . 0 0 "[ . 1 . 2]" 1
308 1 18 LYS HE3 1 41 VAL HA . . 4.420 3.956 3.466 4.239 . 0 0 "[ . 1 . 2]" 1
309 1 18 LYS HE3 1 41 VAL QG . . 5.040 4.433 3.930 4.800 . 0 0 "[ . 1 . 2]" 1
310 1 18 LYS HG2 1 21 CYS HB3 . . 5.270 4.250 4.105 4.878 . 0 0 "[ . 1 . 2]" 1
311 1 18 LYS HG2 1 41 VAL HA . . 4.330 4.355 4.035 4.395 0.065 13 0 "[ . 1 . 2]" 1
312 1 18 LYS HG3 1 41 VAL HA . . 4.670 4.647 4.591 4.726 0.056 20 0 "[ . 1 . 2]" 1
313 1 19 LEU H 1 19 LEU HB2 . . 3.280 2.608 2.498 2.704 . 0 0 "[ . 1 . 2]" 1
314 1 19 LEU H 1 19 LEU HB3 . . 3.230 2.284 2.206 2.368 . 0 0 "[ . 1 . 2]" 1
315 1 19 LEU H 1 19 LEU MD2 . . 4.470 4.130 4.083 4.177 . 0 0 "[ . 1 . 2]" 1
316 1 19 LEU H 1 19 LEU HG . . 4.740 4.308 4.230 4.371 . 0 0 "[ . 1 . 2]" 1
317 1 19 LEU H 1 20 HIS H . . 3.360 2.788 2.641 2.889 . 0 0 "[ . 1 . 2]" 1
318 1 19 LEU H 1 20 HIS HA . . 5.500 5.292 5.177 5.368 . 0 0 "[ . 1 . 2]" 1
319 1 19 LEU H 1 41 VAL HA . . 5.340 4.998 4.755 5.342 0.002 9 0 "[ . 1 . 2]" 1
320 1 19 LEU H 1 41 VAL QG . . 3.720 2.471 2.323 2.701 . 0 0 "[ . 1 . 2]" 1
321 1 19 LEU HA 1 19 LEU MD1 . . 3.120 2.393 2.273 2.499 . 0 0 "[ . 1 . 2]" 1
322 1 19 LEU HA 1 19 LEU MD2 . . 4.580 3.959 3.928 3.985 . 0 0 "[ . 1 . 2]" 1
323 1 19 LEU HA 1 19 LEU HG . . 3.510 3.190 3.078 3.293 . 0 0 "[ . 1 . 2]" 1
324 1 19 LEU HA 1 22 ALA H . . 4.770 4.196 4.124 4.291 . 0 0 "[ . 1 . 2]" 1
325 1 19 LEU HA 1 22 ALA MB . . 3.630 3.203 3.014 3.312 . 0 0 "[ . 1 . 2]" 1
326 1 19 LEU HA 1 23 PHE H . . 4.670 3.671 3.579 3.770 . 0 0 "[ . 1 . 2]" 1
327 1 19 LEU HA 1 41 VAL QG . . 2.930 1.926 1.810 2.154 . 0 0 "[ . 1 . 2]" 1
328 1 19 LEU HB2 1 19 LEU MD1 . . 3.370 2.238 2.154 2.317 . 0 0 "[ . 1 . 2]" 1
329 1 19 LEU HB2 1 19 LEU MD2 . . 3.380 2.449 2.367 2.580 . 0 0 "[ . 1 . 2]" 1
330 1 19 LEU HB2 1 20 HIS H . . 3.930 3.933 3.854 3.961 0.031 14 0 "[ . 1 . 2]" 1
331 1 19 LEU HB2 1 41 VAL QG . . 3.370 2.386 2.202 2.544 . 0 0 "[ . 1 . 2]" 1
332 1 19 LEU HB3 1 19 LEU MD2 . . 3.300 2.274 2.154 2.339 . 0 0 "[ . 1 . 2]" 1
333 1 19 LEU HB3 1 20 HIS H . . 3.230 2.537 2.422 2.597 . 0 0 "[ . 1 . 2]" 1
334 1 19 LEU HB3 1 20 HIS HD2 . . 4.910 2.420 2.326 2.533 . 0 0 "[ . 1 . 2]" 1
335 1 19 LEU HB3 1 41 VAL QG . . 4.210 3.413 3.228 3.566 . 0 0 "[ . 1 . 2]" 1
336 1 19 LEU MD1 1 20 HIS H . . 4.580 4.388 4.223 4.564 . 0 0 "[ . 1 . 2]" 1
337 1 19 LEU MD1 1 20 HIS HA . . 5.330 4.472 4.202 4.763 . 0 0 "[ . 1 . 2]" 1
338 1 19 LEU MD1 1 23 PHE H . . 4.580 3.987 3.755 4.224 . 0 0 "[ . 1 . 2]" 1
339 1 19 LEU MD1 1 23 PHE HB2 . . 5.050 3.039 2.823 3.341 . 0 0 "[ . 1 . 2]" 1
340 1 19 LEU MD1 1 23 PHE HB3 . . 4.610 4.117 3.809 4.381 . 0 0 "[ . 1 . 2]" 1
341 1 19 LEU MD1 1 34 TRP HE3 . . 3.540 3.505 3.361 3.551 0.011 7 0 "[ . 1 . 2]" 1
342 1 19 LEU MD1 1 34 TRP HZ3 . . 4.080 2.042 1.899 2.228 . 0 0 "[ . 1 . 2]" 1
343 1 19 LEU MD1 1 49 CYS H . . 4.760 4.522 4.274 4.723 . 0 0 "[ . 1 . 2]" 1
344 1 19 LEU MD1 1 49 CYS HA . . 3.690 2.825 2.492 3.042 . 0 0 "[ . 1 . 2]" 1
345 1 19 LEU MD1 1 49 CYS HB2 . . 3.890 3.262 3.197 3.379 . 0 0 "[ . 1 . 2]" 1
346 1 19 LEU MD1 1 49 CYS HB3 . . 3.330 1.853 1.794 1.907 . 0 0 "[ . 1 . 2]" 1
347 1 19 LEU MD1 1 50 GLN HA . . 5.400 4.518 4.329 4.687 . 0 0 "[ . 1 . 2]" 1
348 1 19 LEU MD1 1 53 TYR H . . 4.560 3.862 3.651 4.071 . 0 0 "[ . 1 . 2]" 1
349 1 19 LEU MD1 1 53 TYR QB . . 3.600 2.957 2.630 3.147 . 0 0 "[ . 1 . 2]" 1
350 1 19 LEU MD1 1 53 TYR QD . . 4.160 3.076 2.650 3.250 . 0 0 "[ . 1 . 2]" 1
351 1 19 LEU MD1 1 53 TYR QE . . 5.160 4.585 4.240 4.770 . 0 0 "[ . 1 . 2]" 1
352 1 19 LEU MD2 1 20 HIS H . . 4.380 3.899 3.750 4.066 . 0 0 "[ . 1 . 2]" 1
353 1 19 LEU MD2 1 20 HIS HA . . 5.020 4.512 4.321 4.651 . 0 0 "[ . 1 . 2]" 1
354 1 19 LEU MD2 1 20 HIS HD2 . . 3.970 2.962 2.722 3.352 . 0 0 "[ . 1 . 2]" 1
355 1 19 LEU MD2 1 20 HIS HE1 . . 5.040 4.936 4.762 5.046 0.006 10 0 "[ . 1 . 2]" 1
356 1 19 LEU MD2 1 49 CYS HA . . 4.250 3.226 2.989 3.498 . 0 0 "[ . 1 . 2]" 1
357 1 19 LEU MD2 1 49 CYS HB3 . . 4.810 3.612 3.442 3.837 . 0 0 "[ . 1 . 2]" 1
358 1 19 LEU MD2 1 52 LYS H . . 5.060 4.756 4.560 4.939 . 0 0 "[ . 1 . 2]" 1
359 1 19 LEU MD2 1 52 LYS HA . . 5.180 5.024 4.903 5.132 . 0 0 "[ . 1 . 2]" 1
360 1 19 LEU MD2 1 52 LYS QB . . 3.470 3.065 2.874 3.278 . 0 0 "[ . 1 . 2]" 1
361 1 19 LEU MD2 1 52 LYS HG2 . . 3.760 2.598 2.389 2.831 . 0 0 "[ . 1 . 2]" 1
362 1 19 LEU MD2 1 52 LYS HG3 . . 3.740 2.605 2.426 2.878 . 0 0 "[ . 1 . 2]" 1
363 1 19 LEU MD2 1 53 TYR H . . 4.010 2.907 2.623 3.258 . 0 0 "[ . 1 . 2]" 1
364 1 19 LEU MD2 1 53 TYR HA . . 3.780 3.089 2.767 3.301 . 0 0 "[ . 1 . 2]" 1
365 1 19 LEU MD2 1 53 TYR QB . . 3.670 2.535 2.060 2.832 . 0 0 "[ . 1 . 2]" 1
366 1 19 LEU MD2 1 53 TYR QD . . 3.890 2.555 2.142 2.804 . 0 0 "[ . 1 . 2]" 1
367 1 19 LEU MD2 1 53 TYR QE . . 5.190 4.375 4.037 4.565 . 0 0 "[ . 1 . 2]" 1
368 1 19 LEU HG 1 20 HIS H . . 4.200 3.331 3.116 3.568 . 0 0 "[ . 1 . 2]" 1
369 1 19 LEU HG 1 20 HIS HA . . 4.160 3.410 3.260 3.567 . 0 0 "[ . 1 . 2]" 1
370 1 19 LEU HG 1 20 HIS HD2 . . 4.830 3.319 3.019 3.585 . 0 0 "[ . 1 . 2]" 1
371 1 19 LEU HG 1 23 PHE HB2 . . 5.150 3.515 3.274 3.770 . 0 0 "[ . 1 . 2]" 1
372 1 19 LEU HG 1 23 PHE HB3 . . 5.360 3.940 3.802 4.061 . 0 0 "[ . 1 . 2]" 1
373 1 19 LEU HG 1 53 TYR QB . . 4.780 4.252 3.719 4.496 . 0 0 "[ . 1 . 2]" 1
374 1 19 LEU HG 1 53 TYR QD . . 4.160 2.973 2.744 3.149 . 0 0 "[ . 1 . 2]" 1
375 1 19 LEU HG 1 53 TYR QE . . 5.160 4.275 3.950 4.471 . 0 0 "[ . 1 . 2]" 1
376 1 20 HIS H 1 20 HIS HB2 . . 3.110 2.437 2.423 2.455 . 0 0 "[ . 1 . 2]" 1
377 1 20 HIS H 1 20 HIS HB3 . . 3.840 3.541 3.538 3.544 . 0 0 "[ . 1 . 2]" 1
378 1 20 HIS H 1 20 HIS HD2 . . 3.950 1.953 1.938 2.001 . 0 0 "[ . 1 . 2]" 1
379 1 20 HIS H 1 21 CYS H . . 3.340 2.808 2.725 2.900 . 0 0 "[ . 1 . 2]" 1
380 1 20 HIS H 1 21 CYS HA . . 5.410 5.290 5.230 5.358 . 0 0 "[ . 1 . 2]" 1
381 1 20 HIS H 1 21 CYS HB2 . . 5.210 5.139 5.050 5.213 0.003 13 0 "[ . 1 . 2]" 1
382 1 20 HIS H 1 21 CYS HB3 . . 5.490 4.856 4.774 5.015 . 0 0 "[ . 1 . 2]" 1
383 1 20 HIS HA 1 20 HIS HD2 . . 3.950 3.556 3.464 3.695 . 0 0 "[ . 1 . 2]" 1
384 1 20 HIS HA 1 22 ALA H . . 5.310 5.119 5.065 5.183 . 0 0 "[ . 1 . 2]" 1
385 1 20 HIS HA 1 22 ALA MB . . 5.500 5.245 5.161 5.339 . 0 0 "[ . 1 . 2]" 1
386 1 20 HIS HA 1 23 PHE H . . 4.060 3.614 3.549 3.821 . 0 0 "[ . 1 . 2]" 1
387 1 20 HIS HA 1 23 PHE HB2 . . 3.970 3.368 3.246 3.611 . 0 0 "[ . 1 . 2]" 1
388 1 20 HIS HA 1 23 PHE HB3 . . 3.460 2.103 2.001 2.258 . 0 0 "[ . 1 . 2]" 1
389 1 20 HIS HA 1 24 ALA H . . 4.620 4.057 3.895 4.152 . 0 0 "[ . 1 . 2]" 1
390 1 20 HIS HA 1 24 ALA MB . . 5.410 4.223 4.173 4.273 . 0 0 "[ . 1 . 2]" 1
391 1 20 HIS HA 1 53 TYR QD . . 4.970 4.814 4.434 4.953 . 0 0 "[ . 1 . 2]" 1
392 1 20 HIS HA 1 53 TYR QE . . 4.140 4.124 3.970 4.149 0.009 4 0 "[ . 1 . 2]" 1
393 1 20 HIS HB2 1 21 CYS H . . 4.100 2.410 2.338 2.535 . 0 0 "[ . 1 . 2]" 1
394 1 20 HIS HB2 1 24 ALA MB . . 4.890 4.872 4.799 4.910 0.020 17 0 "[ . 1 . 2]" 1
395 1 20 HIS HB3 1 21 CYS H . . 4.390 3.444 3.339 3.575 . 0 0 "[ . 1 . 2]" 1
396 1 21 CYS H 1 21 CYS HB2 . . 3.400 2.458 2.359 2.510 . 0 0 "[ . 1 . 2]" 1
397 1 21 CYS H 1 21 CYS HB3 . . 3.280 2.563 2.488 2.681 . 0 0 "[ . 1 . 2]" 1
398 1 21 CYS H 1 22 ALA H . . 3.690 3.192 3.106 3.243 . 0 0 "[ . 1 . 2]" 1
399 1 21 CYS H 1 22 ALA MB . . 4.970 4.588 4.511 4.662 . 0 0 "[ . 1 . 2]" 1
400 1 21 CYS H 1 24 ALA MB . . 5.500 4.347 4.262 4.487 . 0 0 "[ . 1 . 2]" 1
401 1 21 CYS HA 1 24 ALA H . . 4.240 3.474 3.418 3.603 . 0 0 "[ . 1 . 2]" 1
402 1 21 CYS HA 1 24 ALA MB . . 3.490 2.708 2.599 2.868 . 0 0 "[ . 1 . 2]" 1
403 1 21 CYS HA 1 25 SER H . . 5.110 3.678 3.576 3.832 . 0 0 "[ . 1 . 2]" 1
404 1 21 CYS HB2 1 22 ALA H . . 3.930 3.638 3.571 3.682 . 0 0 "[ . 1 . 2]" 1
405 1 21 CYS HB2 1 24 ALA MB . . 4.950 4.828 4.741 4.939 . 0 0 "[ . 1 . 2]" 1
406 1 21 CYS HB3 1 22 ALA H . . 3.830 2.115 2.057 2.169 . 0 0 "[ . 1 . 2]" 1
407 1 21 CYS HB3 1 22 ALA HA . . 4.960 4.267 4.149 4.358 . 0 0 "[ . 1 . 2]" 1
408 1 21 CYS HB3 1 22 ALA MB . . 4.680 3.648 3.596 3.747 . 0 0 "[ . 1 . 2]" 1
409 1 22 ALA H 1 22 ALA MB . . 3.050 2.013 1.962 2.129 . 0 0 "[ . 1 . 2]" 1
410 1 22 ALA H 1 23 PHE H . . 3.540 2.987 2.931 3.127 . 0 0 "[ . 1 . 2]" 1
411 1 22 ALA H 1 24 ALA H . . 4.920 4.060 4.011 4.249 . 0 0 "[ . 1 . 2]" 1
412 1 22 ALA H 1 40 ALA MB . . 5.010 3.849 3.660 4.116 . 0 0 "[ . 1 . 2]" 1
413 1 22 ALA H 1 41 VAL QG . . 5.500 3.900 3.786 4.112 . 0 0 "[ . 1 . 2]" 1
414 1 22 ALA HA 1 24 ALA H . . 5.180 4.002 3.906 4.308 . 0 0 "[ . 1 . 2]" 1
415 1 22 ALA HA 1 25 SER H . . 4.010 3.352 3.249 3.523 . 0 0 "[ . 1 . 2]" 1
416 1 22 ALA HA 1 25 SER QB . . 3.840 2.486 2.237 2.658 . 0 0 "[ . 1 . 2]" 1
417 1 22 ALA HA 1 26 LEU H . . 4.640 3.034 2.976 3.090 . 0 0 "[ . 1 . 2]" 1
418 1 22 ALA HA 1 26 LEU MD1 . . 4.600 2.890 2.711 3.120 . 0 0 "[ . 1 . 2]" 1
419 1 22 ALA HA 1 26 LEU HG . . 5.060 3.897 3.539 4.125 . 0 0 "[ . 1 . 2]" 1
420 1 22 ALA HA 1 37 VAL MG1 . . 5.230 4.323 4.047 4.429 . 0 0 "[ . 1 . 2]" 1
421 1 22 ALA MB 1 23 PHE H . . 3.360 2.366 2.279 2.478 . 0 0 "[ . 1 . 2]" 1
422 1 22 ALA MB 1 23 PHE HA . . 4.260 3.679 3.651 3.746 . 0 0 "[ . 1 . 2]" 1
423 1 22 ALA MB 1 23 PHE HB2 . . 4.770 4.085 4.011 4.178 . 0 0 "[ . 1 . 2]" 1
424 1 22 ALA MB 1 23 PHE HB3 . . 5.190 4.273 4.203 4.365 . 0 0 "[ . 1 . 2]" 1
425 1 22 ALA MB 1 24 ALA H . . 5.080 4.257 4.137 4.477 . 0 0 "[ . 1 . 2]" 1
426 1 22 ALA MB 1 25 SER H . . 4.830 4.627 4.532 4.746 . 0 0 "[ . 1 . 2]" 1
427 1 22 ALA MB 1 26 LEU MD1 . . 3.460 2.164 1.941 2.563 . 0 0 "[ . 1 . 2]" 1
428 1 22 ALA MB 1 37 VAL HA . . 3.130 1.848 1.797 1.910 . 0 0 "[ . 1 . 2]" 1
429 1 22 ALA MB 1 37 VAL MG1 . . 3.380 2.623 2.245 2.809 . 0 0 "[ . 1 . 2]" 1
430 1 22 ALA MB 1 40 ALA MB . . 2.830 2.305 2.084 2.471 . 0 0 "[ . 1 . 2]" 1
431 1 22 ALA MB 1 41 VAL QG . . 4.250 2.684 2.563 2.871 . 0 0 "[ . 1 . 2]" 1
432 1 23 PHE H 1 23 PHE HB2 . . 3.170 2.530 2.453 2.563 . 0 0 "[ . 1 . 2]" 1
433 1 23 PHE H 1 23 PHE HB3 . . 3.190 2.201 2.169 2.262 . 0 0 "[ . 1 . 2]" 1
434 1 23 PHE H 1 23 PHE QD . . 4.550 4.029 4.005 4.062 . 0 0 "[ . 1 . 2]" 1
435 1 23 PHE H 1 24 ALA H . . 3.460 2.821 2.792 2.927 . 0 0 "[ . 1 . 2]" 1
436 1 23 PHE H 1 24 ALA HA . . 5.330 5.354 5.328 5.433 0.103 13 0 "[ . 1 . 2]" 1
437 1 23 PHE H 1 24 ALA MB . . 4.920 4.369 4.330 4.465 . 0 0 "[ . 1 . 2]" 1
438 1 23 PHE H 1 25 SER H . . 4.910 4.539 4.462 4.649 . 0 0 "[ . 1 . 2]" 1
439 1 23 PHE H 1 37 VAL MG1 . . 4.370 3.118 2.847 3.338 . 0 0 "[ . 1 . 2]" 1
440 1 23 PHE HA 1 23 PHE QD . . 3.890 3.122 2.982 3.213 . 0 0 "[ . 1 . 2]" 1
441 1 23 PHE HA 1 23 PHE QE . . 5.500 4.967 4.903 5.016 . 0 0 "[ . 1 . 2]" 1
442 1 23 PHE HA 1 24 ALA MB . . 5.210 4.962 4.953 4.991 . 0 0 "[ . 1 . 2]" 1
443 1 23 PHE HA 1 25 SER H . . 5.090 5.102 5.080 5.115 0.025 9 0 "[ . 1 . 2]" 1
444 1 23 PHE HA 1 26 LEU H . . 4.710 4.159 4.092 4.239 . 0 0 "[ . 1 . 2]" 1
445 1 23 PHE HA 1 26 LEU HB2 . . 5.390 3.638 3.467 3.751 . 0 0 "[ . 1 . 2]" 1
446 1 23 PHE HA 1 26 LEU MD1 . . 4.600 4.465 4.204 4.587 . 0 0 "[ . 1 . 2]" 1
447 1 23 PHE HA 1 28 LYS HE3 . . 5.500 4.714 4.259 5.231 . 0 0 "[ . 1 . 2]" 1
448 1 23 PHE HA 1 33 PHE QD . . 4.830 4.510 4.449 4.647 . 0 0 "[ . 1 . 2]" 1
449 1 23 PHE HA 1 33 PHE QE . . 3.280 2.568 2.454 2.765 . 0 0 "[ . 1 . 2]" 1
450 1 23 PHE HA 1 33 PHE HZ . . 5.250 1.993 1.969 2.003 . 0 0 "[ . 1 . 2]" 1
451 1 23 PHE HA 1 37 VAL MG1 . . 3.520 2.023 1.965 2.241 . 0 0 "[ . 1 . 2]" 1
452 1 23 PHE HA 1 37 VAL MG2 . . 4.800 4.367 4.268 4.587 . 0 0 "[ . 1 . 2]" 1
453 1 23 PHE HB2 1 24 ALA H . . 4.110 4.113 3.977 4.141 0.031 13 0 "[ . 1 . 2]" 1
454 1 23 PHE HB2 1 24 ALA MB . . 5.400 5.221 5.159 5.271 . 0 0 "[ . 1 . 2]" 1
455 1 23 PHE HB2 1 33 PHE QE . . 5.010 3.814 3.699 3.959 . 0 0 "[ . 1 . 2]" 1
456 1 23 PHE HB2 1 33 PHE HZ . . 5.260 3.008 2.828 3.246 . 0 0 "[ . 1 . 2]" 1
457 1 23 PHE HB2 1 37 VAL MG1 . . 4.640 3.011 2.829 3.153 . 0 0 "[ . 1 . 2]" 1
458 1 23 PHE HB2 1 37 VAL MG2 . . 5.030 4.073 3.992 4.310 . 0 0 "[ . 1 . 2]" 1
459 1 23 PHE HB2 1 53 TYR QE . . 5.190 3.959 3.794 4.212 . 0 0 "[ . 1 . 2]" 1
460 1 23 PHE HB3 1 24 ALA H . . 3.430 2.826 2.603 2.862 . 0 0 "[ . 1 . 2]" 1
461 1 23 PHE HB3 1 24 ALA HA . . 4.900 4.591 4.514 4.620 . 0 0 "[ . 1 . 2]" 1
462 1 23 PHE HB3 1 24 ALA MB . . 4.340 3.859 3.757 3.942 . 0 0 "[ . 1 . 2]" 1
463 1 23 PHE HB3 1 33 PHE QE . . 5.500 4.918 4.833 5.052 . 0 0 "[ . 1 . 2]" 1
464 1 23 PHE HB3 1 33 PHE HZ . . 5.140 4.017 3.907 4.183 . 0 0 "[ . 1 . 2]" 1
465 1 23 PHE HB3 1 37 VAL MG1 . . 5.500 4.103 3.994 4.247 . 0 0 "[ . 1 . 2]" 1
466 1 23 PHE HB3 1 53 TYR QE . . 4.800 4.181 4.011 4.375 . 0 0 "[ . 1 . 2]" 1
467 1 23 PHE QD 1 24 ALA H . . 4.430 3.112 2.790 3.362 . 0 0 "[ . 1 . 2]" 1
468 1 23 PHE QD 1 24 ALA HA . . 3.860 3.153 2.879 3.435 . 0 0 "[ . 1 . 2]" 1
469 1 23 PHE QD 1 24 ALA MB . . 4.330 2.989 2.836 3.201 . 0 0 "[ . 1 . 2]" 1
470 1 23 PHE QD 1 28 LYS HE3 . . 4.990 3.690 2.895 4.156 . 0 0 "[ . 1 . 2]" 1
471 1 23 PHE QD 1 33 PHE QD . . 4.440 4.449 4.439 4.477 0.037 13 0 "[ . 1 . 2]" 1
472 1 23 PHE QD 1 33 PHE QE . . 3.910 2.120 2.104 2.152 . 0 0 "[ . 1 . 2]" 1
473 1 23 PHE QD 1 33 PHE HZ . . 4.500 2.016 1.991 2.135 . 0 0 "[ . 1 . 2]" 1
474 1 23 PHE QD 1 37 VAL MG1 . . 4.190 3.673 3.523 3.860 . 0 0 "[ . 1 . 2]" 1
475 1 23 PHE QE 1 24 ALA HA . . 5.340 4.139 3.902 4.413 . 0 0 "[ . 1 . 2]" 1
476 1 23 PHE QE 1 24 ALA MB . . 5.280 4.150 4.013 4.521 . 0 0 "[ . 1 . 2]" 1
477 1 23 PHE QE 1 28 LYS HD2 . . 5.320 4.753 4.515 4.983 . 0 0 "[ . 1 . 2]" 1
478 1 23 PHE QE 1 28 LYS HD3 . . 5.120 5.045 4.916 5.133 0.013 16 0 "[ . 1 . 2]" 1
479 1 23 PHE QE 1 28 LYS HE2 . . 4.430 2.954 2.723 3.217 . 0 0 "[ . 1 . 2]" 1
480 1 23 PHE QE 1 28 LYS HE3 . . 4.340 3.441 2.820 4.023 . 0 0 "[ . 1 . 2]" 1
481 1 23 PHE QE 1 28 LYS QG . . 5.200 2.795 2.648 2.880 . 0 0 "[ . 1 . 2]" 1
482 1 23 PHE QE 1 33 PHE QE . . 5.060 3.257 3.127 3.422 . 0 0 "[ . 1 . 2]" 1
483 1 23 PHE HZ 1 28 LYS HE2 . . 5.190 2.963 2.557 3.377 . 0 0 "[ . 1 . 2]" 1
484 1 24 ALA H 1 24 ALA MB . . 2.860 2.031 1.995 2.060 . 0 0 "[ . 1 . 2]" 1
485 1 24 ALA H 1 25 SER H . . 3.490 2.469 2.419 2.579 . 0 0 "[ . 1 . 2]" 1
486 1 24 ALA H 1 25 SER QB . . 5.260 4.095 3.992 4.283 . 0 0 "[ . 1 . 2]" 1
487 1 24 ALA H 1 26 LEU H . . 4.740 3.945 3.856 4.069 . 0 0 "[ . 1 . 2]" 1
488 1 24 ALA HA 1 26 LEU H . . 4.850 4.770 4.675 4.846 . 0 0 "[ . 1 . 2]" 1
489 1 24 ALA HA 1 28 LYS HE3 . . 5.150 2.836 2.240 3.464 . 0 0 "[ . 1 . 2]" 1
490 1 24 ALA MB 1 25 SER H . . 3.460 2.481 2.442 2.504 . 0 0 "[ . 1 . 2]" 1
491 1 24 ALA MB 1 25 SER HA . . 4.110 3.617 3.599 3.635 . 0 0 "[ . 1 . 2]" 1
492 1 24 ALA MB 1 25 SER QB . . 4.590 3.881 3.761 4.236 . 0 0 "[ . 1 . 2]" 1
493 1 24 ALA MB 1 26 LEU H . . 5.130 4.616 4.567 4.672 . 0 0 "[ . 1 . 2]" 1
494 1 25 SER H 1 25 SER QB . . 3.350 2.105 2.000 2.380 . 0 0 "[ . 1 . 2]" 1
495 1 25 SER H 1 26 LEU H . . 3.150 2.907 2.866 2.952 . 0 0 "[ . 1 . 2]" 1
496 1 25 SER QB 1 26 LEU H . . 3.910 2.402 2.269 2.519 . 0 0 "[ . 1 . 2]" 1
497 1 25 SER QB 1 26 LEU HB2 . . 4.790 4.136 4.051 4.228 . 0 0 "[ . 1 . 2]" 1
498 1 25 SER QB 1 26 LEU MD2 . . 4.890 4.328 4.069 4.736 . 0 0 "[ . 1 . 2]" 1
499 1 25 SER QB 1 26 LEU HG . . 4.080 3.043 2.888 3.421 . 0 0 "[ . 1 . 2]" 1
500 1 26 LEU H 1 26 LEU HB2 . . 3.070 2.274 2.247 2.306 . 0 0 "[ . 1 . 2]" 1
501 1 26 LEU H 1 26 LEU HB3 . . 3.670 3.521 3.505 3.531 . 0 0 "[ . 1 . 2]" 1
502 1 26 LEU H 1 26 LEU MD1 . . 4.120 3.241 3.138 3.351 . 0 0 "[ . 1 . 2]" 1
503 1 26 LEU H 1 26 LEU MD2 . . 4.110 4.049 3.953 4.121 0.011 20 0 "[ . 1 . 2]" 1
504 1 26 LEU H 1 26 LEU HG . . 3.270 2.783 2.647 2.870 . 0 0 "[ . 1 . 2]" 1
505 1 26 LEU H 1 27 PRO HD2 . . 5.130 5.014 4.991 5.038 . 0 0 "[ . 1 . 2]" 1
506 1 26 LEU H 1 33 PHE QE . . 4.180 4.171 4.111 4.208 0.028 20 0 "[ . 1 . 2]" 1
507 1 26 LEU H 1 36 GLU QB . . 5.500 5.373 5.291 5.503 0.003 13 0 "[ . 1 . 2]" 1
508 1 26 LEU H 1 37 VAL MG1 . . 5.410 4.230 4.143 4.367 . 0 0 "[ . 1 . 2]" 1
509 1 26 LEU HA 1 26 LEU MD1 . . 4.570 3.847 3.824 3.873 . 0 0 "[ . 1 . 2]" 1
510 1 26 LEU HA 1 26 LEU MD2 . . 2.960 2.514 2.441 2.599 . 0 0 "[ . 1 . 2]" 1
511 1 26 LEU HA 1 26 LEU HG . . 3.770 2.609 2.544 2.689 . 0 0 "[ . 1 . 2]" 1
512 1 26 LEU HA 1 27 PRO HB3 . . 5.250 4.953 4.952 4.956 . 0 0 "[ . 1 . 2]" 1
513 1 26 LEU HA 1 27 PRO HD2 . . 3.050 2.603 2.515 2.673 . 0 0 "[ . 1 . 2]" 1
514 1 26 LEU HA 1 27 PRO HD3 . . 2.800 1.945 1.918 1.972 . 0 0 "[ . 1 . 2]" 1
515 1 26 LEU HA 1 27 PRO QG . . 4.360 3.887 3.852 3.917 . 0 0 "[ . 1 . 2]" 1
516 1 26 LEU HA 1 33 PHE QD . . 5.410 5.323 5.170 5.409 . 0 0 "[ . 1 . 2]" 1
517 1 26 LEU HB2 1 26 LEU MD1 . . 3.300 2.159 2.139 2.181 . 0 0 "[ . 1 . 2]" 1
518 1 26 LEU HB2 1 26 LEU MD2 . . 3.620 3.146 3.126 3.160 . 0 0 "[ . 1 . 2]" 1
519 1 26 LEU HB2 1 27 PRO HD2 . . 4.270 3.991 3.863 4.158 . 0 0 "[ . 1 . 2]" 1
520 1 26 LEU HB2 1 27 PRO HD3 . . 4.760 4.534 4.459 4.628 . 0 0 "[ . 1 . 2]" 1
521 1 26 LEU HB2 1 33 PHE QD . . 4.140 3.865 3.815 3.937 . 0 0 "[ . 1 . 2]" 1
522 1 26 LEU HB2 1 33 PHE QE . . 3.500 2.949 2.835 3.028 . 0 0 "[ . 1 . 2]" 1
523 1 26 LEU HB2 1 36 GLU QB . . 5.140 3.564 3.487 3.693 . 0 0 "[ . 1 . 2]" 1
524 1 26 LEU HB2 1 37 VAL MG1 . . 5.010 2.747 2.567 2.870 . 0 0 "[ . 1 . 2]" 1
525 1 26 LEU HB3 1 26 LEU MD1 . . 3.600 2.637 2.589 2.695 . 0 0 "[ . 1 . 2]" 1
526 1 26 LEU HB3 1 26 LEU MD2 . . 3.270 2.112 2.067 2.160 . 0 0 "[ . 1 . 2]" 1
527 1 26 LEU HB3 1 27 PRO HD2 . . 3.500 2.414 2.250 2.638 . 0 0 "[ . 1 . 2]" 1
528 1 26 LEU HB3 1 27 PRO HD3 . . 3.900 3.417 3.273 3.607 . 0 0 "[ . 1 . 2]" 1
529 1 26 LEU HB3 1 27 PRO QG . . 4.990 4.286 4.154 4.464 . 0 0 "[ . 1 . 2]" 1
530 1 26 LEU HB3 1 33 PHE QD . . 3.700 3.176 3.021 3.289 . 0 0 "[ . 1 . 2]" 1
531 1 26 LEU HB3 1 36 GLU QB . . 5.410 3.141 2.913 3.349 . 0 0 "[ . 1 . 2]" 1
532 1 26 LEU HB3 1 37 VAL MG1 . . 5.120 3.548 3.375 3.679 . 0 0 "[ . 1 . 2]" 1
533 1 26 LEU MD1 1 27 PRO HD2 . . 4.900 4.476 4.364 4.597 . 0 0 "[ . 1 . 2]" 1
534 1 26 LEU MD1 1 27 PRO HD3 . . 5.460 5.056 4.988 5.139 . 0 0 "[ . 1 . 2]" 1
535 1 26 LEU MD1 1 33 PHE HA . . 4.570 4.566 4.514 4.585 0.015 8 0 "[ . 1 . 2]" 1
536 1 26 LEU MD1 1 33 PHE QD . . 4.310 4.288 4.199 4.318 0.008 18 0 "[ . 1 . 2]" 1
537 1 26 LEU MD1 1 36 GLU H . . 5.360 4.327 4.202 4.432 . 0 0 "[ . 1 . 2]" 1
538 1 26 LEU MD1 1 36 GLU HA . . 4.880 3.402 3.260 3.557 . 0 0 "[ . 1 . 2]" 1
539 1 26 LEU MD1 1 36 GLU QB . . 3.350 1.776 1.760 1.807 . 0 0 "[ . 1 . 2]" 1
540 1 26 LEU MD1 1 36 GLU HG2 . . 4.640 3.906 3.749 4.035 . 0 0 "[ . 1 . 2]" 1
541 1 26 LEU MD1 1 36 GLU HG3 . . 4.980 4.289 4.251 4.342 . 0 0 "[ . 1 . 2]" 1
542 1 26 LEU MD1 1 37 VAL H . . 4.300 2.848 2.638 3.001 . 0 0 "[ . 1 . 2]" 1
543 1 26 LEU MD1 1 37 VAL HA . . 3.680 2.585 2.256 2.831 . 0 0 "[ . 1 . 2]" 1
544 1 26 LEU MD1 1 37 VAL MG1 . . 3.150 2.269 2.080 2.403 . 0 0 "[ . 1 . 2]" 1
545 1 26 LEU MD1 1 37 VAL MG2 . . 4.710 4.272 4.063 4.412 . 0 0 "[ . 1 . 2]" 1
546 1 26 LEU MD2 1 27 PRO HA . . 5.500 5.512 5.475 5.534 0.034 12 0 "[ . 1 . 2]" 1
547 1 26 LEU MD2 1 27 PRO HD2 . . 3.460 2.249 2.194 2.304 . 0 0 "[ . 1 . 2]" 1
548 1 26 LEU MD2 1 27 PRO HD3 . . 3.570 2.880 2.811 3.012 . 0 0 "[ . 1 . 2]" 1
549 1 26 LEU MD2 1 27 PRO QG . . 4.790 3.823 3.765 3.883 . 0 0 "[ . 1 . 2]" 1
550 1 26 LEU MD2 1 30 LYS HD2 . . 4.900 3.091 2.719 4.550 . 0 0 "[ . 1 . 2]" 1
551 1 26 LEU MD2 1 30 LYS HD3 . . 4.990 4.006 2.893 4.596 . 0 0 "[ . 1 . 2]" 1
552 1 26 LEU MD2 1 30 LYS QE . . 4.650 3.618 3.111 4.206 . 0 0 "[ . 1 . 2]" 1
553 1 26 LEU MD2 1 33 PHE HA . . 5.090 4.722 4.481 4.935 . 0 0 "[ . 1 . 2]" 1
554 1 26 LEU MD2 1 33 PHE QD . . 4.820 4.467 4.300 4.636 . 0 0 "[ . 1 . 2]" 1
555 1 26 LEU MD2 1 36 GLU HA . . 5.220 4.031 3.756 4.393 . 0 0 "[ . 1 . 2]" 1
556 1 26 LEU MD2 1 36 GLU QB . . 3.520 2.046 1.946 2.340 . 0 0 "[ . 1 . 2]" 1
557 1 26 LEU MD2 1 36 GLU HG2 . . 4.380 3.379 3.079 3.776 . 0 0 "[ . 1 . 2]" 1
558 1 26 LEU MD2 1 36 GLU HG3 . . 4.610 3.971 3.809 4.185 . 0 0 "[ . 1 . 2]" 1
559 1 26 LEU MD2 1 37 VAL H . . 5.130 4.723 4.579 4.952 . 0 0 "[ . 1 . 2]" 1
560 1 26 LEU HG 1 37 VAL MG1 . . 5.500 4.594 4.379 4.711 . 0 0 "[ . 1 . 2]" 1
561 1 27 PRO HA 1 28 LYS H . . 2.730 2.288 2.233 2.335 . 0 0 "[ . 1 . 2]" 1
562 1 27 PRO HA 1 28 LYS HA . . 4.700 4.249 4.247 4.254 . 0 0 "[ . 1 . 2]" 1
563 1 27 PRO HA 1 28 LYS HB2 . . 4.680 4.549 4.499 4.592 . 0 0 "[ . 1 . 2]" 1
564 1 27 PRO HA 1 28 LYS HD2 . . 5.010 2.972 2.797 3.201 . 0 0 "[ . 1 . 2]" 1
565 1 27 PRO HA 1 28 LYS QG . . 4.660 4.441 4.375 4.498 . 0 0 "[ . 1 . 2]" 1
566 1 27 PRO HA 1 29 HIS HE1 . . 5.290 4.809 4.186 5.284 . 0 0 "[ . 1 . 2]" 1
567 1 27 PRO HA 1 33 PHE QD . . 5.250 4.974 4.895 5.022 . 0 0 "[ . 1 . 2]" 1
568 1 27 PRO HB2 1 28 LYS H . . 4.180 3.114 2.973 3.290 . 0 0 "[ . 1 . 2]" 1
569 1 27 PRO HB2 1 29 HIS HE1 . . 4.890 3.185 2.856 3.934 . 0 0 "[ . 1 . 2]" 1
570 1 27 PRO HB2 1 30 LYS H . . 4.510 3.263 2.890 3.572 . 0 0 "[ . 1 . 2]" 1
571 1 27 PRO HB2 1 30 LYS HB2 . . 4.500 3.720 3.476 4.009 . 0 0 "[ . 1 . 2]" 1
572 1 27 PRO HB2 1 30 LYS QE . . 5.470 5.287 4.863 5.499 0.029 13 0 "[ . 1 . 2]" 1
573 1 27 PRO HB2 1 30 LYS HG3 . . 5.070 3.594 2.792 4.658 . 0 0 "[ . 1 . 2]" 1
574 1 27 PRO HB3 1 28 LYS H . . 4.270 3.619 3.536 3.725 . 0 0 "[ . 1 . 2]" 1
575 1 27 PRO HB3 1 29 HIS HE1 . . 4.360 2.855 2.236 3.482 . 0 0 "[ . 1 . 2]" 1
576 1 27 PRO HB3 1 30 LYS H . . 5.250 4.976 4.620 5.268 0.018 7 0 "[ . 1 . 2]" 1
577 1 27 PRO HD2 1 30 LYS HB2 . . 5.160 3.495 3.311 3.757 . 0 0 "[ . 1 . 2]" 1
578 1 27 PRO HD2 1 30 LYS HB3 . . 5.180 4.633 4.405 4.796 . 0 0 "[ . 1 . 2]" 1
579 1 27 PRO HD2 1 30 LYS HD2 . . 4.700 2.685 1.976 3.672 . 0 0 "[ . 1 . 2]" 1
580 1 27 PRO HD2 1 30 LYS HD3 . . 4.890 4.189 2.479 4.893 0.003 10 0 "[ . 1 . 2]" 1
581 1 27 PRO HD2 1 30 LYS QE . . 5.200 3.815 3.330 4.234 . 0 0 "[ . 1 . 2]" 1
582 1 27 PRO HD2 1 33 PHE QD . . 5.110 4.111 3.930 4.273 . 0 0 "[ . 1 . 2]" 1
583 1 27 PRO QG 1 29 HIS HE1 . . 5.130 3.408 2.367 5.127 . 0 0 "[ . 1 . 2]" 1
584 1 27 PRO QG 1 30 LYS H . . 5.160 3.753 3.345 4.118 . 0 0 "[ . 1 . 2]" 1
585 1 27 PRO QG 1 30 LYS HB2 . . 4.630 2.941 2.729 3.206 . 0 0 "[ . 1 . 2]" 1
586 1 27 PRO QG 1 30 LYS HB3 . . 4.520 4.217 3.958 4.573 0.053 13 0 "[ . 1 . 2]" 1
587 1 27 PRO QG 1 30 LYS QE . . 4.440 3.202 2.779 3.745 . 0 0 "[ . 1 . 2]" 1
588 1 27 PRO QG 1 30 LYS HG3 . . 5.430 2.066 1.984 3.169 . 0 0 "[ . 1 . 2]" 1
589 1 28 LYS H 1 28 LYS HB2 . . 3.220 2.390 2.352 2.416 . 0 0 "[ . 1 . 2]" 1
590 1 28 LYS H 1 28 LYS HB3 . . 3.850 3.594 3.578 3.603 . 0 0 "[ . 1 . 2]" 1
591 1 28 LYS H 1 28 LYS HD2 . . 3.610 2.761 2.598 2.978 . 0 0 "[ . 1 . 2]" 1
592 1 28 LYS H 1 28 LYS HD3 . . 4.850 2.017 1.952 2.128 . 0 0 "[ . 1 . 2]" 1
593 1 28 LYS H 1 28 LYS HE2 . . 4.800 4.760 4.580 4.895 0.095 9 0 "[ . 1 . 2]" 1
594 1 28 LYS H 1 28 LYS QG . . 3.420 3.367 3.304 3.410 . 0 0 "[ . 1 . 2]" 1
595 1 28 LYS H 1 30 LYS H . . 5.500 4.108 3.935 4.286 . 0 0 "[ . 1 . 2]" 1
596 1 28 LYS HA 1 28 LYS HD2 . . 4.130 3.411 3.267 3.586 . 0 0 "[ . 1 . 2]" 1
597 1 28 LYS HA 1 28 LYS HD3 . . 4.420 3.673 3.603 3.777 . 0 0 "[ . 1 . 2]" 1
598 1 28 LYS HA 1 28 LYS QG . . 3.770 2.282 2.227 2.327 . 0 0 "[ . 1 . 2]" 1
599 1 28 LYS HA 1 30 LYS H . . 4.710 3.315 3.153 3.567 . 0 0 "[ . 1 . 2]" 1
600 1 28 LYS HA 1 33 PHE HB2 . . 4.960 3.452 3.262 3.738 . 0 0 "[ . 1 . 2]" 1
601 1 28 LYS HA 1 33 PHE QD . . 3.530 3.035 2.947 3.164 . 0 0 "[ . 1 . 2]" 1
602 1 28 LYS HA 1 33 PHE QE . . 5.500 3.366 3.240 3.516 . 0 0 "[ . 1 . 2]" 1
603 1 28 LYS HB2 1 28 LYS HE2 . . 4.840 3.980 3.528 4.394 . 0 0 "[ . 1 . 2]" 1
604 1 28 LYS HB2 1 28 LYS HE3 . . 5.500 4.545 4.484 4.611 . 0 0 "[ . 1 . 2]" 1
605 1 28 LYS HD2 1 33 PHE QD . . 4.900 4.609 4.426 4.804 . 0 0 "[ . 1 . 2]" 1
606 1 28 LYS HD2 1 33 PHE QE . . 4.280 2.936 2.794 3.059 . 0 0 "[ . 1 . 2]" 1
607 1 28 LYS HD3 1 33 PHE QE . . 4.510 4.441 4.321 4.512 0.002 19 0 "[ . 1 . 2]" 1
608 1 28 LYS HE2 1 33 PHE QE . . 4.900 4.470 3.988 4.904 0.004 12 0 "[ . 1 . 2]" 1
609 1 28 LYS HE3 1 33 PHE QE . . 4.240 4.487 4.186 4.828 0.588 15 4 "[ .*- *1 + 2]" 1
610 1 28 LYS QG 1 33 PHE QD . . 5.500 3.684 3.539 3.910 . 0 0 "[ . 1 . 2]" 1
611 1 28 LYS QG 1 33 PHE QE . . 4.540 2.713 2.567 2.782 . 0 0 "[ . 1 . 2]" 1
612 1 29 HIS H 1 30 LYS H . . 5.130 2.452 2.257 2.592 . 0 0 "[ . 1 . 2]" 1
613 1 29 HIS HB2 1 30 LYS H . . 5.020 4.355 3.599 4.629 . 0 0 "[ . 1 . 2]" 1
614 1 29 HIS HB3 1 30 LYS H . . 5.470 4.420 4.172 4.648 . 0 0 "[ . 1 . 2]" 1
615 1 30 LYS H 1 30 LYS HB2 . . 3.400 2.101 2.032 2.213 . 0 0 "[ . 1 . 2]" 1
616 1 30 LYS H 1 30 LYS HB3 . . 3.720 3.300 3.183 3.431 . 0 0 "[ . 1 . 2]" 1
617 1 30 LYS H 1 30 LYS HG2 . . 4.640 4.135 3.913 4.470 . 0 0 "[ . 1 . 2]" 1
618 1 30 LYS H 1 30 LYS HG3 . . 4.350 3.483 3.152 3.849 . 0 0 "[ . 1 . 2]" 1
619 1 30 LYS H 1 31 PRO HD2 . . 5.320 4.899 4.858 4.941 . 0 0 "[ . 1 . 2]" 1
620 1 30 LYS H 1 31 PRO HD3 . . 5.310 4.800 4.762 4.823 . 0 0 "[ . 1 . 2]" 1
621 1 30 LYS H 1 33 PHE H . . 5.500 5.244 4.896 5.469 . 0 0 "[ . 1 . 2]" 1
622 1 30 LYS H 1 33 PHE HB2 . . 4.520 3.631 3.254 3.907 . 0 0 "[ . 1 . 2]" 1
623 1 30 LYS H 1 33 PHE QD . . 4.570 4.045 3.857 4.202 . 0 0 "[ . 1 . 2]" 1
624 1 30 LYS HA 1 30 LYS HD2 . . 4.590 4.472 4.152 4.575 . 0 0 "[ . 1 . 2]" 1
625 1 30 LYS HA 1 30 LYS HD3 . . 4.990 4.146 3.885 4.509 . 0 0 "[ . 1 . 2]" 1
626 1 30 LYS HA 1 30 LYS QE . . 4.720 4.316 3.695 4.590 . 0 0 "[ . 1 . 2]" 1
627 1 30 LYS HA 1 30 LYS HG2 . . 4.090 2.146 2.004 2.720 . 0 0 "[ . 1 . 2]" 1
628 1 30 LYS HA 1 30 LYS HG3 . . 3.930 2.734 2.126 2.955 . 0 0 "[ . 1 . 2]" 1
629 1 30 LYS HA 1 31 PRO HD2 . . 2.780 2.858 2.772 2.931 0.151 19 0 "[ . 1 . 2]" 1
630 1 30 LYS HA 1 31 PRO HD3 . . 2.950 2.082 2.026 2.133 . 0 0 "[ . 1 . 2]" 1
631 1 30 LYS HA 1 31 PRO HG2 . . 5.100 4.750 4.682 4.810 . 0 0 "[ . 1 . 2]" 1
632 1 30 LYS HA 1 31 PRO HG3 . . 4.590 4.332 4.285 4.375 . 0 0 "[ . 1 . 2]" 1
633 1 30 LYS HB2 1 30 LYS QE . . 4.200 4.083 3.238 4.205 0.005 16 0 "[ . 1 . 2]" 1
634 1 30 LYS HB2 1 31 PRO HD2 . . 4.620 3.784 3.667 3.917 . 0 0 "[ . 1 . 2]" 1
635 1 30 LYS HB2 1 31 PRO HD3 . . 4.290 4.331 4.236 4.422 0.132 6 0 "[ . 1 . 2]" 1
636 1 30 LYS HB2 1 33 PHE H . . 4.760 4.705 4.576 4.775 0.015 13 0 "[ . 1 . 2]" 1
637 1 30 LYS HB2 1 33 PHE HA . . 5.400 3.691 3.611 3.833 . 0 0 "[ . 1 . 2]" 1
638 1 30 LYS HB2 1 33 PHE HB2 . . 5.000 3.545 3.384 3.682 . 0 0 "[ . 1 . 2]" 1
639 1 30 LYS HB2 1 33 PHE QD . . 4.870 3.291 3.168 3.381 . 0 0 "[ . 1 . 2]" 1
640 1 30 LYS HB3 1 30 LYS QE . . 4.140 3.954 2.061 4.224 0.084 13 0 "[ . 1 . 2]" 1
641 1 30 LYS HB3 1 31 PRO HD2 . . 4.400 2.279 2.079 2.470 . 0 0 "[ . 1 . 2]" 1
642 1 30 LYS HB3 1 31 PRO HD3 . . 4.020 3.333 3.161 3.494 . 0 0 "[ . 1 . 2]" 1
643 1 30 LYS HB3 1 33 PHE H . . 4.690 3.717 3.485 4.122 . 0 0 "[ . 1 . 2]" 1
644 1 30 LYS HB3 1 33 PHE HA . . 4.870 3.234 3.090 3.637 . 0 0 "[ . 1 . 2]" 1
645 1 30 LYS HB3 1 33 PHE HB2 . . 4.930 3.534 3.207 3.904 . 0 0 "[ . 1 . 2]" 1
646 1 30 LYS HB3 1 33 PHE QD . . 4.820 4.014 3.668 4.376 . 0 0 "[ . 1 . 2]" 1
647 1 30 LYS HD2 1 31 PRO HD3 . . 5.290 5.061 4.679 5.304 0.014 13 0 "[ . 1 . 2]" 1
648 1 30 LYS QE 1 30 LYS HG2 . . 3.460 2.476 2.178 2.804 . 0 0 "[ . 1 . 2]" 1
649 1 30 LYS QE 1 30 LYS HG3 . . 3.520 2.484 2.234 3.381 . 0 0 "[ . 1 . 2]" 1
650 1 30 LYS QE 1 31 PRO HD3 . . 4.930 4.369 3.325 4.893 . 0 0 "[ . 1 . 2]" 1
651 1 30 LYS HG2 1 31 PRO HD2 . . 4.890 2.377 2.012 2.717 . 0 0 "[ . 1 . 2]" 1
652 1 30 LYS HG2 1 31 PRO HD3 . . 4.270 2.395 1.998 2.708 . 0 0 "[ . 1 . 2]" 1
653 1 30 LYS HG3 1 31 PRO HD2 . . 4.570 3.842 3.320 4.130 . 0 0 "[ . 1 . 2]" 1
654 1 30 LYS HG3 1 31 PRO HD3 . . 4.130 3.900 3.132 4.205 0.075 10 0 "[ . 1 . 2]" 1
655 1 31 PRO HA 1 32 GLY HA2 . . 5.080 4.548 4.532 4.568 . 0 0 "[ . 1 . 2]" 1
656 1 31 PRO HA 1 32 GLY HA3 . . 5.500 5.224 5.205 5.241 . 0 0 "[ . 1 . 2]" 1
657 1 31 PRO HA 1 33 PHE H . . 4.220 3.865 3.809 3.924 . 0 0 "[ . 1 . 2]" 1
658 1 31 PRO HA 1 33 PHE HB2 . . 5.270 4.937 4.808 5.028 . 0 0 "[ . 1 . 2]" 1
659 1 32 GLY HA2 1 34 TRP H . . 4.910 3.478 3.343 3.658 . 0 0 "[ . 1 . 2]" 1
660 1 32 GLY HA2 1 35 SER H . . 4.950 3.349 3.281 3.423 . 0 0 "[ . 1 . 2]" 1
661 1 32 GLY HA3 1 34 TRP H . . 5.500 4.537 4.373 4.784 . 0 0 "[ . 1 . 2]" 1
662 1 32 GLY HA3 1 35 SER H . . 4.780 3.587 3.470 3.784 . 0 0 "[ . 1 . 2]" 1
663 1 33 PHE H 1 33 PHE HB2 . . 2.940 2.363 2.329 2.395 . 0 0 "[ . 1 . 2]" 1
664 1 33 PHE H 1 33 PHE HB3 . . 3.150 2.346 2.304 2.387 . 0 0 "[ . 1 . 2]" 1
665 1 33 PHE H 1 33 PHE QD . . 4.090 4.073 4.070 4.076 . 0 0 "[ . 1 . 2]" 1
666 1 33 PHE H 1 34 TRP H . . 3.590 2.832 2.743 2.896 . 0 0 "[ . 1 . 2]" 1
667 1 33 PHE H 1 34 TRP HA . . 5.460 5.351 5.277 5.401 . 0 0 "[ . 1 . 2]" 1
668 1 33 PHE H 1 36 GLU QB . . 5.070 5.017 4.917 5.090 0.020 7 0 "[ . 1 . 2]" 1
669 1 33 PHE HA 1 33 PHE QD . . 3.510 2.460 2.403 2.520 . 0 0 "[ . 1 . 2]" 1
670 1 33 PHE HA 1 36 GLU H . . 4.450 3.350 3.270 3.447 . 0 0 "[ . 1 . 2]" 1
671 1 33 PHE HA 1 36 GLU QB . . 3.770 2.657 2.583 2.732 . 0 0 "[ . 1 . 2]" 1
672 1 33 PHE HA 1 36 GLU HG2 . . 4.600 4.555 4.477 4.643 0.043 13 0 "[ . 1 . 2]" 1
673 1 33 PHE HA 1 36 GLU HG3 . . 4.710 3.003 2.838 3.240 . 0 0 "[ . 1 . 2]" 1
674 1 33 PHE HA 1 37 VAL H . . 5.070 3.959 3.885 4.040 . 0 0 "[ . 1 . 2]" 1
675 1 33 PHE HA 1 37 VAL MG1 . . 4.890 3.710 3.622 3.797 . 0 0 "[ . 1 . 2]" 1
676 1 33 PHE HB2 1 34 TRP H . . 4.060 3.882 3.792 3.966 . 0 0 "[ . 1 . 2]" 1
677 1 33 PHE HB3 1 34 TRP H . . 3.510 2.519 2.369 2.645 . 0 0 "[ . 1 . 2]" 1
678 1 33 PHE HB3 1 35 SER H . . 5.160 4.993 4.840 5.139 . 0 0 "[ . 1 . 2]" 1
679 1 33 PHE QD 1 34 TRP H . . 4.070 3.657 3.528 3.754 . 0 0 "[ . 1 . 2]" 1
680 1 33 PHE QD 1 34 TRP HA . . 3.900 3.909 3.892 3.926 0.026 20 0 "[ . 1 . 2]" 1
681 1 33 PHE QD 1 34 TRP HZ2 . . 5.380 4.589 4.547 4.670 . 0 0 "[ . 1 . 2]" 1
682 1 33 PHE QD 1 36 GLU QB . . 5.500 3.595 3.453 3.728 . 0 0 "[ . 1 . 2]" 1
683 1 33 PHE QD 1 37 VAL MG1 . . 3.400 3.094 3.011 3.219 . 0 0 "[ . 1 . 2]" 1
684 1 33 PHE QE 1 34 TRP HZ3 . . 4.650 4.040 3.970 4.142 . 0 0 "[ . 1 . 2]" 1
685 1 33 PHE QE 1 37 VAL MG1 . . 4.640 2.775 2.671 2.914 . 0 0 "[ . 1 . 2]" 1
686 1 33 PHE HZ 1 37 VAL MG1 . . 4.970 2.911 2.734 3.078 . 0 0 "[ . 1 . 2]" 1
687 1 34 TRP H 1 34 TRP HB2 . . 3.420 2.328 2.304 2.348 . 0 0 "[ . 1 . 2]" 1
688 1 34 TRP H 1 34 TRP HB3 . . 4.020 3.526 3.523 3.528 . 0 0 "[ . 1 . 2]" 1
689 1 34 TRP H 1 34 TRP HD1 . . 4.130 3.429 3.393 3.472 . 0 0 "[ . 1 . 2]" 1
690 1 34 TRP H 1 35 SER H . . 3.350 2.661 2.592 2.741 . 0 0 "[ . 1 . 2]" 1
691 1 34 TRP H 1 36 GLU H . . 5.090 3.902 3.816 3.976 . 0 0 "[ . 1 . 2]" 1
692 1 34 TRP H 1 37 VAL MG1 . . 5.500 4.403 4.280 4.613 . 0 0 "[ . 1 . 2]" 1
693 1 34 TRP H 1 46 PRO HB3 . . 5.250 5.258 5.230 5.276 0.026 12 0 "[ . 1 . 2]" 1
694 1 34 TRP HA 1 36 GLU H . . 4.970 4.077 3.991 4.137 . 0 0 "[ . 1 . 2]" 1
695 1 34 TRP HA 1 37 VAL H . . 3.690 3.547 3.501 3.577 . 0 0 "[ . 1 . 2]" 1
696 1 34 TRP HA 1 37 VAL MG1 . . 3.500 3.023 2.944 3.238 . 0 0 "[ . 1 . 2]" 1
697 1 34 TRP HA 1 37 VAL MG2 . . 4.230 1.930 1.901 1.950 . 0 0 "[ . 1 . 2]" 1
698 1 34 TRP HA 1 38 ALA H . . 4.320 3.922 3.866 3.957 . 0 0 "[ . 1 . 2]" 1
699 1 34 TRP HB2 1 34 TRP HD1 . . 3.810 2.605 2.604 2.606 . 0 0 "[ . 1 . 2]" 1
700 1 34 TRP HB2 1 35 SER H . . 4.060 2.588 2.472 2.648 . 0 0 "[ . 1 . 2]" 1
701 1 34 TRP HB2 1 35 SER HA . . 5.500 4.359 4.334 4.379 . 0 0 "[ . 1 . 2]" 1
702 1 34 TRP HB2 1 46 PRO HA . . 4.580 4.604 4.590 4.619 0.039 20 0 "[ . 1 . 2]" 1
703 1 34 TRP HB2 1 46 PRO HB2 . . 4.160 2.848 2.821 2.880 . 0 0 "[ . 1 . 2]" 1
704 1 34 TRP HB2 1 46 PRO HB3 . . 4.340 3.867 3.823 3.880 . 0 0 "[ . 1 . 2]" 1
705 1 34 TRP HB2 1 46 PRO HG3 . . 5.390 5.396 5.361 5.422 0.032 13 0 "[ . 1 . 2]" 1
706 1 34 TRP HB2 1 50 GLN HB2 . . 5.500 5.097 5.020 5.195 . 0 0 "[ . 1 . 2]" 1
707 1 34 TRP HB3 1 35 SER H . . 4.500 3.491 3.375 3.556 . 0 0 "[ . 1 . 2]" 1
708 1 34 TRP HB3 1 35 SER HA . . 5.500 4.259 4.218 4.285 . 0 0 "[ . 1 . 2]" 1
709 1 34 TRP HB3 1 36 GLU H . . 5.500 5.299 5.177 5.367 . 0 0 "[ . 1 . 2]" 1
710 1 34 TRP HB3 1 38 ALA MB . . 5.160 3.833 3.777 3.870 . 0 0 "[ . 1 . 2]" 1
711 1 34 TRP HB3 1 46 PRO HA . . 3.830 2.973 2.952 2.997 . 0 0 "[ . 1 . 2]" 1
712 1 34 TRP HB3 1 46 PRO HB2 . . 3.990 2.142 2.097 2.173 . 0 0 "[ . 1 . 2]" 1
713 1 34 TRP HB3 1 46 PRO HB3 . . 4.050 2.953 2.881 2.982 . 0 0 "[ . 1 . 2]" 1
714 1 34 TRP HB3 1 46 PRO HG3 . . 5.190 4.814 4.758 4.845 . 0 0 "[ . 1 . 2]" 1
715 1 34 TRP HB3 1 50 GLN H . . 5.500 4.716 4.620 4.794 . 0 0 "[ . 1 . 2]" 1
716 1 34 TRP HB3 1 50 GLN HB2 . . 5.370 4.517 4.430 4.617 . 0 0 "[ . 1 . 2]" 1
717 1 34 TRP HD1 1 50 GLN HG3 . . 5.380 4.941 4.568 5.268 . 0 0 "[ . 1 . 2]" 1
718 1 34 TRP HE1 1 50 GLN HB2 . . 5.500 2.884 2.852 2.919 . 0 0 "[ . 1 . 2]" 1
719 1 34 TRP HE1 1 50 GLN HG2 . . 4.970 4.368 4.011 4.594 . 0 0 "[ . 1 . 2]" 1
720 1 34 TRP HE1 1 50 GLN HG3 . . 4.220 2.769 2.505 3.070 . 0 0 "[ . 1 . 2]" 1
721 1 34 TRP HE3 1 37 VAL MG2 . . 3.510 1.920 1.898 1.946 . 0 0 "[ . 1 . 2]" 1
722 1 34 TRP HE3 1 49 CYS HB3 . . 4.910 2.651 2.528 2.709 . 0 0 "[ . 1 . 2]" 1
723 1 34 TRP HE3 1 50 GLN HA . . 5.270 4.648 4.607 4.727 . 0 0 "[ . 1 . 2]" 1
724 1 34 TRP HH2 1 37 VAL MG2 . . 4.620 4.662 4.651 4.676 0.056 20 0 "[ . 1 . 2]" 1
725 1 34 TRP HH2 1 49 CYS HB3 . . 4.720 4.320 4.106 4.414 . 0 0 "[ . 1 . 2]" 1
726 1 34 TRP HH2 1 50 GLN HA . . 5.110 2.550 2.507 2.578 . 0 0 "[ . 1 . 2]" 1
727 1 34 TRP HZ2 1 50 GLN HA . . 5.150 2.567 2.528 2.589 . 0 0 "[ . 1 . 2]" 1
728 1 34 TRP HZ2 1 50 GLN HG3 . . 4.520 2.546 2.298 2.901 . 0 0 "[ . 1 . 2]" 1
729 1 34 TRP HZ2 1 53 TYR QB . . 5.000 3.669 3.383 4.058 . 0 0 "[ . 1 . 2]" 1
730 1 34 TRP HZ2 1 53 TYR QD . . 4.750 4.432 4.232 4.682 . 0 0 "[ . 1 . 2]" 1
731 1 34 TRP HZ3 1 37 VAL MG2 . . 4.740 2.652 2.621 2.708 . 0 0 "[ . 1 . 2]" 1
732 1 34 TRP HZ3 1 49 CYS HB3 . . 5.410 2.178 1.980 2.260 . 0 0 "[ . 1 . 2]" 1
733 1 34 TRP HZ3 1 50 GLN HA . . 4.170 3.686 3.664 3.719 . 0 0 "[ . 1 . 2]" 1
734 1 34 TRP HZ3 1 53 TYR H . . 5.450 4.753 4.609 4.892 . 0 0 "[ . 1 . 2]" 1
735 1 34 TRP HZ3 1 53 TYR QB . . 3.430 3.331 3.187 3.423 . 0 0 "[ . 1 . 2]" 1
736 1 34 TRP HZ3 1 53 TYR QD . . 4.090 3.957 3.682 4.068 . 0 0 "[ . 1 . 2]" 1
737 1 34 TRP HZ3 1 53 TYR QE . . 5.500 5.487 5.382 5.517 0.017 14 0 "[ . 1 . 2]" 1
738 1 35 SER H 1 35 SER HB2 . . 3.730 3.429 3.422 3.435 . 0 0 "[ . 1 . 2]" 1
739 1 35 SER H 1 35 SER HB3 . . 3.230 2.125 2.116 2.132 . 0 0 "[ . 1 . 2]" 1
740 1 35 SER H 1 36 GLU H . . 3.130 2.753 2.720 2.800 . 0 0 "[ . 1 . 2]" 1
741 1 35 SER H 1 36 GLU QB . . 4.780 4.763 4.710 4.797 0.017 5 0 "[ . 1 . 2]" 1
742 1 35 SER H 1 36 GLU HG3 . . 5.120 4.491 4.299 4.728 . 0 0 "[ . 1 . 2]" 1
743 1 35 SER H 1 46 PRO HB2 . . 4.720 3.481 3.390 3.525 . 0 0 "[ . 1 . 2]" 1
744 1 35 SER H 1 46 PRO HB3 . . 4.390 3.573 3.497 3.612 . 0 0 "[ . 1 . 2]" 1
745 1 35 SER H 1 46 PRO HG2 . . 5.500 5.051 4.946 5.098 . 0 0 "[ . 1 . 2]" 1
746 1 35 SER H 1 46 PRO HG3 . . 4.800 4.803 4.707 4.831 0.031 20 0 "[ . 1 . 2]" 1
747 1 35 SER HA 1 35 SER HB2 . . 2.790 2.313 2.308 2.318 . 0 0 "[ . 1 . 2]" 1
748 1 35 SER HA 1 35 SER HB3 . . 2.660 2.670 2.660 2.677 0.017 19 0 "[ . 1 . 2]" 1
749 1 35 SER HA 1 37 VAL H . . 5.210 5.186 5.164 5.212 0.002 1 0 "[ . 1 . 2]" 1
750 1 35 SER HA 1 38 ALA H . . 4.180 3.636 3.617 3.660 . 0 0 "[ . 1 . 2]" 1
751 1 35 SER HA 1 38 ALA MB . . 3.400 2.254 2.222 2.291 . 0 0 "[ . 1 . 2]" 1
752 1 35 SER HA 1 39 ALA H . . 4.790 4.723 4.657 4.771 . 0 0 "[ . 1 . 2]" 1
753 1 35 SER HA 1 46 PRO HB2 . . 3.750 3.051 3.031 3.086 . 0 0 "[ . 1 . 2]" 1
754 1 35 SER HA 1 46 PRO HB3 . . 3.200 2.121 2.081 2.148 . 0 0 "[ . 1 . 2]" 1
755 1 35 SER HA 1 46 PRO HD2 . . 5.180 5.315 5.302 5.325 0.145 10 0 "[ . 1 . 2]" 1
756 1 35 SER HA 1 46 PRO HD3 . . 4.830 4.615 4.593 4.634 . 0 0 "[ . 1 . 2]" 1
757 1 35 SER HA 1 46 PRO HG2 . . 3.770 3.691 3.680 3.713 . 0 0 "[ . 1 . 2]" 1
758 1 35 SER HA 1 46 PRO HG3 . . 3.360 2.611 2.586 2.623 . 0 0 "[ . 1 . 2]" 1
759 1 35 SER HB2 1 36 GLU H . . 4.340 4.198 4.178 4.226 . 0 0 "[ . 1 . 2]" 1
760 1 35 SER HB2 1 46 PRO HG2 . . 4.770 4.776 4.768 4.785 0.015 17 0 "[ . 1 . 2]" 1
761 1 35 SER HB2 1 46 PRO HG3 . . 3.950 3.895 3.872 3.916 . 0 0 "[ . 1 . 2]" 1
762 1 35 SER HB3 1 36 GLU H . . 4.090 3.715 3.680 3.758 . 0 0 "[ . 1 . 2]" 1
763 1 35 SER HB3 1 46 PRO HB2 . . 4.780 4.285 4.239 4.314 . 0 0 "[ . 1 . 2]" 1
764 1 35 SER HB3 1 46 PRO HG2 . . 4.900 4.892 4.836 4.908 0.008 15 0 "[ . 1 . 2]" 1
765 1 35 SER HB3 1 46 PRO HG3 . . 4.710 4.512 4.460 4.535 . 0 0 "[ . 1 . 2]" 1
766 1 36 GLU H 1 36 GLU QB . . 3.250 2.350 2.308 2.387 . 0 0 "[ . 1 . 2]" 1
767 1 36 GLU H 1 36 GLU HG2 . . 3.730 3.293 3.127 3.480 . 0 0 "[ . 1 . 2]" 1
768 1 36 GLU H 1 36 GLU HG3 . . 3.640 2.413 2.258 2.644 . 0 0 "[ . 1 . 2]" 1
769 1 36 GLU H 1 37 VAL H . . 3.310 2.779 2.750 2.813 . 0 0 "[ . 1 . 2]" 1
770 1 36 GLU H 1 37 VAL MG1 . . 4.890 3.984 3.931 4.118 . 0 0 "[ . 1 . 2]" 1
771 1 36 GLU H 1 38 ALA H . . 5.040 3.545 3.516 3.566 . 0 0 "[ . 1 . 2]" 1
772 1 36 GLU H 1 38 ALA MB . . 5.500 4.109 4.075 4.139 . 0 0 "[ . 1 . 2]" 1
773 1 36 GLU H 1 39 ALA MB . . 5.500 4.852 4.797 4.894 . 0 0 "[ . 1 . 2]" 1
774 1 36 GLU HA 1 36 GLU HG2 . . 3.270 2.333 2.226 2.452 . 0 0 "[ . 1 . 2]" 1
775 1 36 GLU HA 1 36 GLU HG3 . . 3.840 3.170 3.000 3.342 . 0 0 "[ . 1 . 2]" 1
776 1 36 GLU HA 1 37 VAL HA . . 4.960 4.804 4.799 4.807 . 0 0 "[ . 1 . 2]" 1
777 1 36 GLU HA 1 37 VAL MG1 . . 5.500 4.775 4.750 4.854 . 0 0 "[ . 1 . 2]" 1
778 1 36 GLU HA 1 38 ALA H . . 5.100 3.871 3.846 3.905 . 0 0 "[ . 1 . 2]" 1
779 1 36 GLU HA 1 39 ALA H . . 3.600 3.237 3.219 3.255 . 0 0 "[ . 1 . 2]" 1
780 1 36 GLU HA 1 39 ALA MB . . 3.090 2.677 2.561 2.755 . 0 0 "[ . 1 . 2]" 1
781 1 36 GLU HA 1 40 ALA H . . 4.970 5.122 5.102 5.136 0.166 20 0 "[ . 1 . 2]" 1
782 1 36 GLU QB 1 36 GLU HG2 . . 2.570 2.469 2.403 2.538 . 0 0 "[ . 1 . 2]" 1
783 1 36 GLU QB 1 37 VAL H . . 3.520 2.192 2.163 2.231 . 0 0 "[ . 1 . 2]" 1
784 1 36 GLU QB 1 37 VAL HA . . 4.770 3.783 3.780 3.787 . 0 0 "[ . 1 . 2]" 1
785 1 36 GLU QB 1 37 VAL MG1 . . 4.230 2.786 2.735 2.867 . 0 0 "[ . 1 . 2]" 1
786 1 36 GLU QB 1 39 ALA H . . 5.270 4.415 4.406 4.421 . 0 0 "[ . 1 . 2]" 1
787 1 36 GLU QB 1 39 ALA MB . . 4.320 3.943 3.901 3.966 . 0 0 "[ . 1 . 2]" 1
788 1 36 GLU QB 1 40 ALA H . . 5.490 5.373 5.365 5.383 . 0 0 "[ . 1 . 2]" 1
789 1 36 GLU HG2 1 37 VAL H . . 5.150 4.787 4.726 4.851 . 0 0 "[ . 1 . 2]" 1
790 1 36 GLU HG2 1 39 ALA MB . . 4.540 4.422 4.326 4.513 . 0 0 "[ . 1 . 2]" 1
791 1 36 GLU HG3 1 37 VAL H . . 4.890 4.273 4.200 4.354 . 0 0 "[ . 1 . 2]" 1
792 1 36 GLU HG3 1 39 ALA MB . . 5.500 5.414 5.247 5.521 0.021 12 0 "[ . 1 . 2]" 1
793 1 37 VAL H 1 37 VAL MG1 . . 3.100 1.913 1.863 2.041 . 0 0 "[ . 1 . 2]" 1
794 1 37 VAL H 1 37 VAL MG2 . . 4.090 2.421 2.280 2.455 . 0 0 "[ . 1 . 2]" 1
795 1 37 VAL H 1 38 ALA H . . 3.320 2.723 2.718 2.728 . 0 0 "[ . 1 . 2]" 1
796 1 37 VAL H 1 38 ALA MB . . 4.700 4.287 4.270 4.305 . 0 0 "[ . 1 . 2]" 1
797 1 37 VAL H 1 39 ALA H . . 4.770 4.089 4.068 4.112 . 0 0 "[ . 1 . 2]" 1
798 1 37 VAL HA 1 37 VAL MG1 . . 3.110 2.448 2.374 2.469 . 0 0 "[ . 1 . 2]" 1
799 1 37 VAL HA 1 37 VAL MG2 . . 3.200 3.201 3.197 3.213 0.013 20 0 "[ . 1 . 2]" 1
800 1 37 VAL HA 1 38 ALA HA . . 4.700 4.732 4.728 4.737 0.037 2 0 "[ . 1 . 2]" 1
801 1 37 VAL HA 1 39 ALA H . . 4.930 3.818 3.780 3.858 . 0 0 "[ . 1 . 2]" 1
802 1 37 VAL HA 1 39 ALA MB . . 5.130 4.282 4.238 4.335 . 0 0 "[ . 1 . 2]" 1
803 1 37 VAL HA 1 40 ALA H . . 4.020 3.581 3.568 3.601 . 0 0 "[ . 1 . 2]" 1
804 1 37 VAL HA 1 40 ALA MB . . 3.400 3.495 3.484 3.505 0.105 10 0 "[ . 1 . 2]" 1
805 1 37 VAL HA 1 41 VAL H . . 5.210 4.138 4.036 4.229 . 0 0 "[ . 1 . 2]" 1
806 1 37 VAL HA 1 41 VAL QG . . 4.910 3.606 3.540 3.674 . 0 0 "[ . 1 . 2]" 1
807 1 37 VAL HB 1 49 CYS HB3 . . 5.210 4.533 4.375 4.624 . 0 0 "[ . 1 . 2]" 1
808 1 37 VAL MG1 1 38 ALA H . . 4.260 3.850 3.821 3.945 . 0 0 "[ . 1 . 2]" 1
809 1 37 VAL MG2 1 38 ALA H . . 3.840 2.452 2.428 2.474 . 0 0 "[ . 1 . 2]" 1
810 1 37 VAL MG2 1 38 ALA HA . . 4.000 3.180 3.132 3.279 . 0 0 "[ . 1 . 2]" 1
811 1 37 VAL MG2 1 39 ALA H . . 5.450 4.334 4.317 4.352 . 0 0 "[ . 1 . 2]" 1
812 1 37 VAL MG2 1 41 VAL H . . 5.360 4.585 4.502 4.774 . 0 0 "[ . 1 . 2]" 1
813 1 37 VAL MG2 1 41 VAL HB . . 5.050 3.493 3.427 3.683 . 0 0 "[ . 1 . 2]" 1
814 1 37 VAL MG2 1 41 VAL QG . . 3.460 2.950 2.892 3.109 . 0 0 "[ . 1 . 2]" 1
815 1 37 VAL MG2 1 49 CYS HB2 . . 3.860 2.869 2.810 2.928 . 0 0 "[ . 1 . 2]" 1
816 1 37 VAL MG2 1 49 CYS HB3 . . 3.440 2.572 2.475 2.652 . 0 0 "[ . 1 . 2]" 1
817 1 38 ALA H 1 38 ALA MB . . 2.890 2.068 2.041 2.105 . 0 0 "[ . 1 . 2]" 1
818 1 38 ALA H 1 39 ALA H . . 3.380 2.431 2.425 2.441 . 0 0 "[ . 1 . 2]" 1
819 1 38 ALA H 1 39 ALA MB . . 5.350 4.028 3.965 4.055 . 0 0 "[ . 1 . 2]" 1
820 1 38 ALA H 1 40 ALA H . . 4.470 4.559 4.546 4.568 0.098 20 0 "[ . 1 . 2]" 1
821 1 38 ALA H 1 46 PRO HA . . 4.390 4.294 4.251 4.323 . 0 0 "[ . 1 . 2]" 1
822 1 38 ALA H 1 46 PRO HB2 . . 5.120 5.005 4.987 5.031 . 0 0 "[ . 1 . 2]" 1
823 1 38 ALA H 1 46 PRO HB3 . . 3.450 3.472 3.459 3.488 0.038 19 0 "[ . 1 . 2]" 1
824 1 38 ALA H 1 46 PRO HG3 . . 5.500 5.172 5.155 5.194 . 0 0 "[ . 1 . 2]" 1
825 1 38 ALA H 1 49 CYS HB2 . . 5.290 5.370 5.338 5.382 0.092 9 0 "[ . 1 . 2]" 1
826 1 38 ALA HA 1 40 ALA H . . 4.620 4.589 4.560 4.619 . 0 0 "[ . 1 . 2]" 1
827 1 38 ALA HA 1 41 VAL H . . 3.760 3.082 3.049 3.130 . 0 0 "[ . 1 . 2]" 1
828 1 38 ALA HA 1 41 VAL HA . . 4.730 4.748 4.730 4.776 0.046 13 0 "[ . 1 . 2]" 1
829 1 38 ALA HA 1 41 VAL HB . . 3.280 2.038 2.002 2.114 . 0 0 "[ . 1 . 2]" 1
830 1 38 ALA HA 1 41 VAL QG . . 3.760 2.981 2.940 3.052 . 0 0 "[ . 1 . 2]" 1
831 1 38 ALA HA 1 42 GLY H . . 4.440 4.151 4.099 4.177 . 0 0 "[ . 1 . 2]" 1
832 1 38 ALA HA 1 46 PRO HA . . 4.970 3.858 3.828 3.906 . 0 0 "[ . 1 . 2]" 1
833 1 38 ALA HA 1 49 CYS HB3 . . 5.380 5.228 5.176 5.370 . 0 0 "[ . 1 . 2]" 1
834 1 38 ALA MB 1 39 ALA H . . 3.270 2.986 2.962 3.017 . 0 0 "[ . 1 . 2]" 1
835 1 38 ALA MB 1 41 VAL HB . . 4.540 3.767 3.737 3.827 . 0 0 "[ . 1 . 2]" 1
836 1 38 ALA MB 1 45 SER HA . . 3.800 3.435 3.387 3.480 . 0 0 "[ . 1 . 2]" 1
837 1 38 ALA MB 1 45 SER HB2 . . 5.140 4.965 4.809 5.096 . 0 0 "[ . 1 . 2]" 1
838 1 38 ALA MB 1 45 SER HB3 . . 4.990 4.893 4.768 5.105 0.115 9 0 "[ . 1 . 2]" 1
839 1 38 ALA MB 1 46 PRO HA . . 2.900 1.999 1.977 2.025 . 0 0 "[ . 1 . 2]" 1
840 1 38 ALA MB 1 46 PRO HB2 . . 3.790 3.181 3.165 3.212 . 0 0 "[ . 1 . 2]" 1
841 1 38 ALA MB 1 46 PRO HB3 . . 3.130 1.802 1.782 1.834 . 0 0 "[ . 1 . 2]" 1
842 1 38 ALA MB 1 46 PRO HD2 . . 4.020 3.854 3.835 3.870 . 0 0 "[ . 1 . 2]" 1
843 1 38 ALA MB 1 46 PRO HD3 . . 3.460 2.728 2.710 2.748 . 0 0 "[ . 1 . 2]" 1
844 1 38 ALA MB 1 46 PRO HG2 . . 4.050 3.733 3.722 3.752 . 0 0 "[ . 1 . 2]" 1
845 1 38 ALA MB 1 46 PRO HG3 . . 3.580 2.674 2.660 2.694 . 0 0 "[ . 1 . 2]" 1
846 1 38 ALA MB 1 47 GLU H . . 4.610 4.468 4.443 4.484 . 0 0 "[ . 1 . 2]" 1
847 1 38 ALA MB 1 49 CYS H . . 4.540 4.563 4.532 4.584 0.044 13 0 "[ . 1 . 2]" 1
848 1 38 ALA MB 1 49 CYS HB2 . . 4.150 4.119 4.033 4.161 0.011 20 0 "[ . 1 . 2]" 1
849 1 38 ALA MB 1 49 CYS HB3 . . 4.890 4.925 4.914 4.955 0.065 16 0 "[ . 1 . 2]" 1
850 1 39 ALA H 1 39 ALA MB . . 2.790 2.119 2.022 2.161 . 0 0 "[ . 1 . 2]" 1
851 1 39 ALA H 1 40 ALA H . . 3.140 2.812 2.783 2.841 . 0 0 "[ . 1 . 2]" 1
852 1 39 ALA H 1 41 VAL H . . 5.350 3.632 3.543 3.699 . 0 0 "[ . 1 . 2]" 1
853 1 39 ALA H 1 41 VAL HB . . 5.190 4.712 4.650 4.776 . 0 0 "[ . 1 . 2]" 1
854 1 39 ALA H 1 42 GLY H . . 5.500 4.692 4.664 4.726 . 0 0 "[ . 1 . 2]" 1
855 1 39 ALA HA 1 42 GLY H . . 4.130 3.767 3.688 3.822 . 0 0 "[ . 1 . 2]" 1
856 1 39 ALA HA 1 42 GLY HA3 . . 4.310 4.463 4.415 4.510 0.200 5 0 "[ . 1 . 2]" 1
857 1 39 ALA MB 1 40 ALA H . . 3.250 2.282 2.259 2.325 . 0 0 "[ . 1 . 2]" 1
858 1 39 ALA MB 1 42 GLY H . . 5.320 4.539 4.509 4.562 . 0 0 "[ . 1 . 2]" 1
859 1 40 ALA H 1 40 ALA MB . . 2.850 2.047 2.043 2.051 . 0 0 "[ . 1 . 2]" 1
860 1 40 ALA H 1 41 VAL H . . 3.040 2.420 2.409 2.437 . 0 0 "[ . 1 . 2]" 1
861 1 40 ALA H 1 41 VAL HA . . 5.470 5.034 5.022 5.050 . 0 0 "[ . 1 . 2]" 1
862 1 40 ALA H 1 41 VAL HB . . 5.140 4.557 4.529 4.585 . 0 0 "[ . 1 . 2]" 1
863 1 40 ALA H 1 41 VAL QG . . 4.730 3.892 3.819 3.943 . 0 0 "[ . 1 . 2]" 1
864 1 40 ALA H 1 42 GLY H . . 4.630 3.823 3.778 3.865 . 0 0 "[ . 1 . 2]" 1
865 1 40 ALA HA 1 41 VAL HA . . 5.330 4.639 4.612 4.658 . 0 0 "[ . 1 . 2]" 1
866 1 40 ALA HA 1 42 GLY H . . 4.100 3.453 3.418 3.500 . 0 0 "[ . 1 . 2]" 1
867 1 40 ALA MB 1 41 VAL H . . 3.260 2.908 2.828 3.001 . 0 0 "[ . 1 . 2]" 1
868 1 40 ALA MB 1 41 VAL HA . . 4.500 3.959 3.930 4.003 . 0 0 "[ . 1 . 2]" 1
869 1 40 ALA MB 1 41 VAL QG . . 4.170 2.957 2.923 2.991 . 0 0 "[ . 1 . 2]" 1
870 1 40 ALA MB 1 42 GLY H . . 5.070 4.190 4.139 4.259 . 0 0 "[ . 1 . 2]" 1
871 1 41 VAL H 1 41 VAL HB . . 3.250 2.350 2.323 2.366 . 0 0 "[ . 1 . 2]" 1
872 1 41 VAL H 1 41 VAL QG . . 3.030 2.448 2.368 2.523 . 0 0 "[ . 1 . 2]" 1
873 1 41 VAL H 1 42 GLY H . . 3.390 2.536 2.450 2.593 . 0 0 "[ . 1 . 2]" 1
874 1 41 VAL H 1 42 GLY HA2 . . 5.200 4.514 4.429 4.573 . 0 0 "[ . 1 . 2]" 1
875 1 41 VAL H 1 42 GLY HA3 . . 4.880 4.824 4.736 4.883 0.003 13 0 "[ . 1 . 2]" 1
876 1 41 VAL HA 1 41 VAL QG . . 3.180 2.119 2.105 2.133 . 0 0 "[ . 1 . 2]" 1
877 1 41 VAL HA 1 42 GLY HA2 . . 5.500 5.041 5.040 5.043 . 0 0 "[ . 1 . 2]" 1
878 1 41 VAL HA 1 43 SER H . . 5.420 3.355 3.348 3.370 . 0 0 "[ . 1 . 2]" 1
879 1 41 VAL HB 1 43 SER H . . 5.140 5.172 5.150 5.192 0.052 20 0 "[ . 1 . 2]" 1
880 1 41 VAL HB 1 44 ARG H . . 4.570 4.274 4.237 4.297 . 0 0 "[ . 1 . 2]" 1
881 1 41 VAL QG 1 42 GLY H . . 4.300 3.734 3.731 3.737 . 0 0 "[ . 1 . 2]" 1
882 1 41 VAL QG 1 42 GLY HA2 . . 5.170 4.435 4.410 4.468 . 0 0 "[ . 1 . 2]" 1
883 1 41 VAL QG 1 42 GLY HA3 . . 5.260 4.875 4.864 4.888 . 0 0 "[ . 1 . 2]" 1
884 1 41 VAL QG 1 43 SER H . . 3.600 3.621 3.612 3.642 0.042 20 0 "[ . 1 . 2]" 1
885 1 41 VAL QG 1 43 SER HA . . 5.220 4.945 4.935 4.960 . 0 0 "[ . 1 . 2]" 1
886 1 41 VAL QG 1 43 SER HB2 . . 5.470 3.657 2.924 4.322 . 0 0 "[ . 1 . 2]" 1
887 1 41 VAL QG 1 43 SER HB3 . . 5.270 3.624 2.939 4.664 . 0 0 "[ . 1 . 2]" 1
888 1 41 VAL QG 1 44 ARG H . . 3.870 2.619 2.593 2.653 . 0 0 "[ . 1 . 2]" 1
889 1 41 VAL QG 1 44 ARG HB2 . . 4.070 2.224 2.177 2.278 . 0 0 "[ . 1 . 2]" 1
890 1 41 VAL QG 1 44 ARG HB3 . . 3.980 3.710 3.656 3.769 . 0 0 "[ . 1 . 2]" 1
891 1 41 VAL QG 1 44 ARG HD2 . . 5.310 4.586 4.531 4.621 . 0 0 "[ . 1 . 2]" 1
892 1 41 VAL QG 1 44 ARG HD3 . . 5.360 5.013 4.984 5.039 . 0 0 "[ . 1 . 2]" 1
893 1 41 VAL QG 1 44 ARG HE . . 4.910 4.554 4.486 4.622 . 0 0 "[ . 1 . 2]" 1
894 1 41 VAL QG 1 44 ARG HG2 . . 3.980 3.436 3.374 3.506 . 0 0 "[ . 1 . 2]" 1
895 1 41 VAL QG 1 44 ARG HG3 . . 3.690 2.844 2.804 2.880 . 0 0 "[ . 1 . 2]" 1
896 1 42 GLY H 1 43 SER H . . 4.400 3.205 3.200 3.210 . 0 0 "[ . 1 . 2]" 1
897 1 42 GLY H 1 44 ARG H . . 4.860 4.312 4.301 4.328 . 0 0 "[ . 1 . 2]" 1
898 1 42 GLY HA2 1 44 ARG H . . 5.500 3.585 3.575 3.596 . 0 0 "[ . 1 . 2]" 1
899 1 42 GLY HA3 1 44 ARG H . . 5.500 4.212 4.203 4.221 . 0 0 "[ . 1 . 2]" 1
900 1 43 SER H 1 43 SER HB3 . . 3.780 3.098 2.512 3.573 . 0 0 "[ . 1 . 2]" 1
901 1 43 SER H 1 44 ARG H . . 3.780 2.924 2.914 2.935 . 0 0 "[ . 1 . 2]" 1
902 1 43 SER HB2 1 44 ARG H . . 4.980 3.605 3.005 4.177 . 0 0 "[ . 1 . 2]" 1
903 1 43 SER HB2 1 44 ARG HG2 . . 5.360 3.734 2.505 4.338 . 0 0 "[ . 1 . 2]" 1
904 1 43 SER HB3 1 44 ARG H . . 5.000 3.417 2.970 4.274 . 0 0 "[ . 1 . 2]" 1
905 1 44 ARG H 1 44 ARG HB2 . . 3.800 2.776 2.760 2.792 . 0 0 "[ . 1 . 2]" 1
906 1 44 ARG H 1 44 ARG HD3 . . 5.300 4.883 4.827 4.965 . 0 0 "[ . 1 . 2]" 1
907 1 44 ARG H 1 44 ARG HG2 . . 4.320 2.933 2.887 2.994 . 0 0 "[ . 1 . 2]" 1
908 1 44 ARG H 1 44 ARG HG3 . . 4.890 3.648 3.606 3.694 . 0 0 "[ . 1 . 2]" 1
909 1 44 ARG H 1 45 SER H . . 5.130 4.384 4.381 4.387 . 0 0 "[ . 1 . 2]" 1
910 1 44 ARG HA 1 44 ARG HD2 . . 3.820 3.894 3.874 3.914 0.094 2 0 "[ . 1 . 2]" 1
911 1 44 ARG HA 1 44 ARG HD3 . . 3.250 2.894 2.791 3.004 . 0 0 "[ . 1 . 2]" 1
912 1 44 ARG HA 1 44 ARG HE . . 5.290 4.984 4.901 5.089 . 0 0 "[ . 1 . 2]" 1
913 1 44 ARG HA 1 45 SER H . . 3.130 2.750 2.747 2.757 . 0 0 "[ . 1 . 2]" 1
914 1 44 ARG HA 1 48 GLU HB2 . . 5.330 5.041 5.006 5.083 . 0 0 "[ . 1 . 2]" 1
915 1 44 ARG HB2 1 44 ARG HE . . 5.480 4.532 4.453 4.577 . 0 0 "[ . 1 . 2]" 1
916 1 44 ARG HB2 1 45 SER H . . 4.450 3.041 3.023 3.070 . 0 0 "[ . 1 . 2]" 1
917 1 44 ARG HB2 1 48 GLU HB2 . . 4.730 3.818 3.750 3.943 . 0 0 "[ . 1 . 2]" 1
918 1 44 ARG HB2 1 48 GLU HB3 . . 5.030 5.009 4.949 5.054 0.024 2 0 "[ . 1 . 2]" 1
919 1 44 ARG HB3 1 44 ARG HD2 . . 3.890 2.314 2.244 2.359 . 0 0 "[ . 1 . 2]" 1
920 1 44 ARG HB3 1 44 ARG HD3 . . 3.980 2.638 2.595 2.699 . 0 0 "[ . 1 . 2]" 1
921 1 44 ARG HB3 1 44 ARG HE . . 5.500 4.373 4.329 4.397 . 0 0 "[ . 1 . 2]" 1
922 1 44 ARG HB3 1 45 SER H . . 3.750 2.074 2.056 2.091 . 0 0 "[ . 1 . 2]" 1
923 1 44 ARG HB3 1 48 GLU H . . 5.410 4.977 4.932 5.007 . 0 0 "[ . 1 . 2]" 1
924 1 44 ARG HB3 1 48 GLU HB2 . . 4.180 2.925 2.881 2.991 . 0 0 "[ . 1 . 2]" 1
925 1 44 ARG HB3 1 48 GLU HB3 . . 4.250 3.895 3.855 3.923 . 0 0 "[ . 1 . 2]" 1
926 1 44 ARG HB3 1 48 GLU QG . . 5.240 3.932 3.615 4.466 . 0 0 "[ . 1 . 2]" 1
927 1 44 ARG HD2 1 45 SER H . . 4.860 4.183 4.081 4.258 . 0 0 "[ . 1 . 2]" 1
928 1 44 ARG HD2 1 48 GLU HB2 . . 4.850 4.043 3.956 4.116 . 0 0 "[ . 1 . 2]" 1
929 1 44 ARG HD2 1 48 GLU HB3 . . 4.650 4.021 3.894 4.127 . 0 0 "[ . 1 . 2]" 1
930 1 44 ARG HD3 1 45 SER H . . 4.420 4.133 4.051 4.207 . 0 0 "[ . 1 . 2]" 1
931 1 44 ARG HD3 1 48 GLU HB2 . . 5.500 4.993 4.932 5.052 . 0 0 "[ . 1 . 2]" 1
932 1 44 ARG HD3 1 48 GLU HB3 . . 5.170 5.208 5.196 5.221 0.051 13 0 "[ . 1 . 2]" 1
933 1 44 ARG HE 1 44 ARG HG2 . . 3.850 2.705 2.604 2.827 . 0 0 "[ . 1 . 2]" 1
934 1 44 ARG HE 1 44 ARG HG3 . . 4.070 2.393 2.316 2.448 . 0 0 "[ . 1 . 2]" 1
935 1 45 SER H 1 45 SER HB2 . . 4.020 3.079 2.820 3.380 . 0 0 "[ . 1 . 2]" 1
936 1 45 SER H 1 45 SER HB3 . . 3.410 3.532 3.319 3.639 0.229 16 0 "[ . 1 . 2]" 1
937 1 45 SER H 1 46 PRO HD2 . . 5.350 4.904 4.895 4.912 . 0 0 "[ . 1 . 2]" 1
938 1 45 SER H 1 46 PRO HD3 . . 5.390 4.816 4.813 4.818 . 0 0 "[ . 1 . 2]" 1
939 1 45 SER H 1 48 GLU H . . 4.730 3.896 3.864 3.934 . 0 0 "[ . 1 . 2]" 1
940 1 45 SER H 1 48 GLU HB2 . . 3.520 2.779 2.748 2.812 . 0 0 "[ . 1 . 2]" 1
941 1 45 SER H 1 48 GLU HB3 . . 4.130 4.192 4.175 4.217 0.087 20 0 "[ . 1 . 2]" 1
942 1 45 SER H 1 48 GLU QG . . 4.490 3.147 2.768 3.648 . 0 0 "[ . 1 . 2]" 1
943 1 45 SER H 1 49 CYS H . . 5.170 4.642 4.584 4.692 . 0 0 "[ . 1 . 2]" 1
944 1 45 SER HA 1 46 PRO HD2 . . 3.120 2.894 2.879 2.907 . 0 0 "[ . 1 . 2]" 1
945 1 45 SER HA 1 46 PRO HD3 . . 2.950 2.119 2.110 2.129 . 0 0 "[ . 1 . 2]" 1
946 1 45 SER HA 1 46 PRO HG2 . . 4.940 4.792 4.780 4.803 . 0 0 "[ . 1 . 2]" 1
947 1 45 SER HA 1 46 PRO HG3 . . 4.950 4.372 4.364 4.380 . 0 0 "[ . 1 . 2]" 1
948 1 45 SER HA 1 47 GLU H . . 5.500 4.223 4.157 4.281 . 0 0 "[ . 1 . 2]" 1
949 1 45 SER HA 1 48 GLU H . . 5.500 4.584 4.562 4.599 . 0 0 "[ . 1 . 2]" 1
950 1 45 SER HB2 1 46 PRO HD2 . . 3.200 2.600 2.156 2.984 . 0 0 "[ . 1 . 2]" 1
951 1 45 SER HB2 1 46 PRO HD3 . . 3.450 3.598 3.236 3.892 0.442 16 0 "[ . 1 . 2]" 1
952 1 45 SER HB2 1 46 PRO HG2 . . 5.100 4.660 4.263 5.043 . 0 0 "[ . 1 . 2]" 1
953 1 45 SER HB2 1 47 GLU H . . 4.270 2.452 2.285 2.639 . 0 0 "[ . 1 . 2]" 1
954 1 45 SER HB2 1 47 GLU HB2 . . 4.650 3.102 3.014 3.165 . 0 0 "[ . 1 . 2]" 1
955 1 45 SER HB2 1 48 GLU H . . 4.850 2.562 2.462 2.836 . 0 0 "[ . 1 . 2]" 1
956 1 45 SER HB2 1 48 GLU HB2 . . 5.400 3.672 3.471 4.039 . 0 0 "[ . 1 . 2]" 1
957 1 45 SER HB2 1 48 GLU QG . . 4.790 2.462 2.058 2.882 . 0 0 "[ . 1 . 2]" 1
958 1 45 SER HB3 1 46 PRO HD3 . . 3.960 2.898 2.774 3.197 . 0 0 "[ . 1 . 2]" 1
959 1 45 SER HB3 1 47 GLU H . . 4.680 3.461 3.043 3.894 . 0 0 "[ . 1 . 2]" 1
960 1 45 SER HB3 1 48 GLU H . . 4.670 4.225 4.007 4.442 . 0 0 "[ . 1 . 2]" 1
961 1 45 SER HB3 1 48 GLU HB2 . . 4.970 5.080 4.988 5.157 0.187 4 0 "[ . 1 . 2]" 1
962 1 45 SER HB3 1 48 GLU QG . . 5.180 3.838 3.498 4.099 . 0 0 "[ . 1 . 2]" 1
963 1 46 PRO HA 1 48 GLU H . . 5.000 3.806 3.755 3.853 . 0 0 "[ . 1 . 2]" 1
964 1 46 PRO HA 1 49 CYS H . . 4.140 3.119 3.090 3.152 . 0 0 "[ . 1 . 2]" 1
965 1 46 PRO HA 1 49 CYS HB2 . . 3.520 2.914 2.837 2.957 . 0 0 "[ . 1 . 2]" 1
966 1 46 PRO HA 1 49 CYS HB3 . . 4.310 4.318 4.297 4.363 0.053 19 0 "[ . 1 . 2]" 1
967 1 46 PRO HA 1 50 GLN H . . 4.680 4.727 4.716 4.744 0.064 19 0 "[ . 1 . 2]" 1
968 1 46 PRO HB2 1 47 GLU H . . 4.460 3.496 3.431 3.571 . 0 0 "[ . 1 . 2]" 1
969 1 46 PRO HB2 1 47 GLU HA . . 5.500 4.119 4.091 4.151 . 0 0 "[ . 1 . 2]" 1
970 1 46 PRO HD2 1 47 GLU H . . 3.910 2.274 2.260 2.298 . 0 0 "[ . 1 . 2]" 1
971 1 46 PRO HD3 1 47 GLU H . . 4.510 3.656 3.655 3.661 . 0 0 "[ . 1 . 2]" 1
972 1 46 PRO HG2 1 47 GLU H . . 4.550 3.067 2.985 3.164 . 0 0 "[ . 1 . 2]" 1
973 1 46 PRO HG3 1 47 GLU H . . 4.270 4.227 4.175 4.290 0.020 16 0 "[ . 1 . 2]" 1
974 1 47 GLU H 1 47 GLU HB2 . . 3.180 2.365 2.261 2.429 . 0 0 "[ . 1 . 2]" 1
975 1 47 GLU H 1 47 GLU HB3 . . 3.770 3.546 3.512 3.561 . 0 0 "[ . 1 . 2]" 1
976 1 47 GLU H 1 47 GLU HG2 . . 4.210 3.056 2.691 3.456 . 0 0 "[ . 1 . 2]" 1
977 1 47 GLU H 1 47 GLU HG3 . . 4.260 2.672 2.360 2.911 . 0 0 "[ . 1 . 2]" 1
978 1 47 GLU H 1 48 GLU H . . 3.570 2.480 2.440 2.523 . 0 0 "[ . 1 . 2]" 1
979 1 47 GLU H 1 48 GLU HB2 . . 5.300 4.778 4.710 4.850 . 0 0 "[ . 1 . 2]" 1
980 1 47 GLU H 1 49 CYS H . . 5.500 4.019 3.960 4.067 . 0 0 "[ . 1 . 2]" 1
981 1 47 GLU HA 1 47 GLU HG2 . . 3.820 2.276 2.171 2.350 . 0 0 "[ . 1 . 2]" 1
982 1 47 GLU HA 1 47 GLU HG3 . . 3.450 3.377 3.127 3.596 0.146 12 0 "[ . 1 . 2]" 1
983 1 47 GLU HA 1 49 CYS H . . 5.230 4.344 4.278 4.421 . 0 0 "[ . 1 . 2]" 1
984 1 47 GLU HA 1 50 GLN H . . 3.950 3.743 3.713 3.775 . 0 0 "[ . 1 . 2]" 1
985 1 47 GLU HA 1 50 GLN HB2 . . 4.070 4.059 3.975 4.096 0.026 14 0 "[ . 1 . 2]" 1
986 1 47 GLU HA 1 50 GLN HB3 . . 3.500 3.531 3.517 3.549 0.049 6 0 "[ . 1 . 2]" 1
987 1 47 GLU HA 1 51 ARG H . . 4.960 4.857 4.740 4.942 . 0 0 "[ . 1 . 2]" 1
988 1 47 GLU HB2 1 48 GLU H . . 3.920 3.162 3.111 3.212 . 0 0 "[ . 1 . 2]" 1
989 1 47 GLU HB2 1 48 GLU QG . . 5.010 3.262 3.133 3.423 . 0 0 "[ . 1 . 2]" 1
990 1 47 GLU HB3 1 48 GLU H . . 4.050 4.021 3.880 4.073 0.023 9 0 "[ . 1 . 2]" 1
991 1 47 GLU HG2 1 48 GLU H . . 4.900 4.876 4.672 5.065 0.165 7 0 "[ . 1 . 2]" 1
992 1 47 GLU HG3 1 48 GLU H . . 5.070 4.751 4.529 4.936 . 0 0 "[ . 1 . 2]" 1
993 1 48 GLU H 1 48 GLU HB2 . . 3.200 2.491 2.425 2.560 . 0 0 "[ . 1 . 2]" 1
994 1 48 GLU H 1 48 GLU HB3 . . 3.780 3.600 3.590 3.614 . 0 0 "[ . 1 . 2]" 1
995 1 48 GLU H 1 48 GLU QG . . 3.700 2.290 2.219 2.407 . 0 0 "[ . 1 . 2]" 1
996 1 48 GLU H 1 49 CYS H . . 3.410 2.298 2.246 2.351 . 0 0 "[ . 1 . 2]" 1
997 1 48 GLU H 1 49 CYS HA . . 5.500 4.855 4.810 4.900 . 0 0 "[ . 1 . 2]" 1
998 1 48 GLU H 1 49 CYS HB2 . . 5.490 4.561 4.429 4.617 . 0 0 "[ . 1 . 2]" 1
999 1 48 GLU H 1 50 GLN H . . 4.850 3.831 3.797 3.883 . 0 0 "[ . 1 . 2]" 1
1000 1 48 GLU H 1 51 ARG QD . . 5.230 5.211 4.971 5.242 0.012 7 0 "[ . 1 . 2]" 1
1001 1 48 GLU HA 1 48 GLU QG . . 3.330 2.788 2.472 3.104 . 0 0 "[ . 1 . 2]" 1
1002 1 48 GLU HA 1 51 ARG H . . 4.100 2.955 2.865 3.112 . 0 0 "[ . 1 . 2]" 1
1003 1 48 GLU HA 1 51 ARG HB2 . . 3.760 2.403 2.355 2.440 . 0 0 "[ . 1 . 2]" 1
1004 1 48 GLU HA 1 51 ARG HB3 . . 3.840 3.846 3.819 3.874 0.034 6 0 "[ . 1 . 2]" 1
1005 1 48 GLU HA 1 51 ARG QD . . 4.530 3.064 2.897 3.215 . 0 0 "[ . 1 . 2]" 1
1006 1 48 GLU HA 1 51 ARG HG2 . . 5.410 5.155 4.865 5.238 . 0 0 "[ . 1 . 2]" 1
1007 1 48 GLU HA 1 51 ARG HG3 . . 5.120 4.998 4.844 5.119 . 0 0 "[ . 1 . 2]" 1
1008 1 48 GLU HA 1 52 LYS H . . 4.700 3.759 3.506 3.911 . 0 0 "[ . 1 . 2]" 1
1009 1 48 GLU HB2 1 49 CYS H . . 3.780 2.868 2.788 2.927 . 0 0 "[ . 1 . 2]" 1
1010 1 48 GLU HB3 1 49 CYS H . . 4.120 3.942 3.866 4.034 . 0 0 "[ . 1 . 2]" 1
1011 1 48 GLU HB3 1 49 CYS HA . . 5.500 4.588 4.498 4.685 . 0 0 "[ . 1 . 2]" 1
1012 1 48 GLU HB3 1 51 ARG QD . . 5.400 4.849 4.649 5.059 . 0 0 "[ . 1 . 2]" 1
1013 1 48 GLU QG 1 49 CYS H . . 4.750 4.074 3.994 4.125 . 0 0 "[ . 1 . 2]" 1
1014 1 49 CYS H 1 49 CYS HB2 . . 3.330 2.547 2.449 2.586 . 0 0 "[ . 1 . 2]" 1
1015 1 49 CYS H 1 49 CYS HB3 . . 3.950 3.563 3.559 3.565 . 0 0 "[ . 1 . 2]" 1
1016 1 49 CYS H 1 50 GLN H . . 3.380 2.675 2.631 2.728 . 0 0 "[ . 1 . 2]" 1
1017 1 49 CYS H 1 50 GLN HB2 . . 5.500 5.112 5.030 5.202 . 0 0 "[ . 1 . 2]" 1
1018 1 49 CYS H 1 51 ARG H . . 5.210 4.459 4.265 4.672 . 0 0 "[ . 1 . 2]" 1
1019 1 49 CYS HA 1 51 ARG H . . 5.500 4.851 4.584 5.148 . 0 0 "[ . 1 . 2]" 1
1020 1 49 CYS HA 1 52 LYS H . . 4.450 3.775 3.658 3.997 . 0 0 "[ . 1 . 2]" 1
1021 1 49 CYS HA 1 52 LYS QB . . 3.770 2.731 2.602 2.955 . 0 0 "[ . 1 . 2]" 1
1022 1 49 CYS HA 1 52 LYS HG3 . . 5.500 4.674 4.196 4.961 . 0 0 "[ . 1 . 2]" 1
1023 1 49 CYS HA 1 53 TYR H . . 4.930 3.762 3.273 3.996 . 0 0 "[ . 1 . 2]" 1
1024 1 49 CYS HB2 1 50 GLN H . . 3.470 3.044 2.981 3.083 . 0 0 "[ . 1 . 2]" 1
1025 1 49 CYS HB2 1 50 GLN HA . . 5.420 4.350 4.311 4.449 . 0 0 "[ . 1 . 2]" 1
1026 1 49 CYS HB3 1 50 GLN H . . 4.060 4.045 3.930 4.078 0.018 9 0 "[ . 1 . 2]" 1
1027 1 50 GLN H 1 50 GLN HB2 . . 3.360 2.696 2.665 2.725 . 0 0 "[ . 1 . 2]" 1
1028 1 50 GLN H 1 50 GLN HB3 . . 3.180 2.348 2.326 2.383 . 0 0 "[ . 1 . 2]" 1
1029 1 50 GLN H 1 51 ARG HA . . 5.490 5.074 5.003 5.134 . 0 0 "[ . 1 . 2]" 1
1030 1 50 GLN HA 1 50 GLN HE21 . . 4.950 4.531 4.020 4.962 0.012 5 0 "[ . 1 . 2]" 1
1031 1 50 GLN HA 1 50 GLN HG2 . . 3.820 2.861 2.550 3.113 . 0 0 "[ . 1 . 2]" 1
1032 1 50 GLN HA 1 50 GLN HG3 . . 3.400 2.923 2.656 3.293 . 0 0 "[ . 1 . 2]" 1
1033 1 50 GLN HA 1 53 TYR H . . 4.670 3.774 3.529 4.101 . 0 0 "[ . 1 . 2]" 1
1034 1 50 GLN HA 1 53 TYR QB . . 3.770 2.756 2.653 2.836 . 0 0 "[ . 1 . 2]" 1
1035 1 50 GLN HA 1 53 TYR QD . . 5.410 4.560 4.296 4.730 . 0 0 "[ . 1 . 2]" 1
1036 1 50 GLN HA 1 54 MET H . . 5.180 3.748 3.626 3.904 . 0 0 "[ . 1 . 2]" 1
1037 1 50 GLN HA 1 54 MET HG2 . . 5.010 4.878 3.701 5.324 0.314 1 0 "[ . 1 . 2]" 1
1038 1 50 GLN HA 1 54 MET HG3 . . 5.330 3.848 3.593 4.032 . 0 0 "[ . 1 . 2]" 1
1039 1 50 GLN HB2 1 51 ARG H . . 4.400 3.886 3.757 3.991 . 0 0 "[ . 1 . 2]" 1
1040 1 50 GLN HB3 1 51 ARG H . . 3.640 2.488 2.286 2.674 . 0 0 "[ . 1 . 2]" 1
1041 1 50 GLN HG2 1 51 ARG H . . 4.500 3.581 3.224 4.057 . 0 0 "[ . 1 . 2]" 1
1042 1 50 GLN HG2 1 51 ARG HA . . 5.500 3.506 3.197 3.988 . 0 0 "[ . 1 . 2]" 1
1043 1 50 GLN HG2 1 54 MET HG2 . . 4.580 3.558 2.831 3.900 . 0 0 "[ . 1 . 2]" 1
1044 1 50 GLN HG2 1 54 MET HG3 . . 4.730 2.207 2.000 2.428 . 0 0 "[ . 1 . 2]" 1
1045 1 50 GLN HG3 1 54 MET HG2 . . 4.600 4.300 3.476 4.944 0.344 8 0 "[ . 1 . 2]" 1
1046 1 50 GLN HG3 1 54 MET HG3 . . 4.960 3.343 2.732 3.873 . 0 0 "[ . 1 . 2]" 1
1047 1 51 ARG H 1 51 ARG HB2 . . 3.360 2.060 2.037 2.097 . 0 0 "[ . 1 . 2]" 1
1048 1 51 ARG H 1 51 ARG HB3 . . 3.660 3.349 3.306 3.392 . 0 0 "[ . 1 . 2]" 1
1049 1 51 ARG H 1 51 ARG QD . . 5.350 3.200 2.653 3.398 . 0 0 "[ . 1 . 2]" 1
1050 1 51 ARG H 1 51 ARG HG2 . . 4.510 4.387 4.332 4.434 . 0 0 "[ . 1 . 2]" 1
1051 1 51 ARG H 1 51 ARG HG3 . . 3.550 3.437 3.304 3.563 0.013 6 0 "[ . 1 . 2]" 1
1052 1 51 ARG H 1 52 LYS H . . 3.870 2.799 2.670 2.980 . 0 0 "[ . 1 . 2]" 1
1053 1 51 ARG H 1 52 LYS QB . . 5.500 4.450 4.315 4.606 . 0 0 "[ . 1 . 2]" 1
1054 1 51 ARG H 1 54 MET HB2 . . 5.500 4.812 4.507 5.102 . 0 0 "[ . 1 . 2]" 1
1055 1 51 ARG HA 1 51 ARG QD . . 4.410 3.642 3.302 3.850 . 0 0 "[ . 1 . 2]" 1
1056 1 51 ARG HA 1 51 ARG HG2 . . 3.400 3.034 2.915 3.289 . 0 0 "[ . 1 . 2]" 1
1057 1 51 ARG HA 1 51 ARG HG3 . . 3.200 2.034 1.998 2.093 . 0 0 "[ . 1 . 2]" 1
1058 1 51 ARG HA 1 53 TYR H . . 5.170 5.046 4.837 5.178 0.008 2 0 "[ . 1 . 2]" 1
1059 1 51 ARG HA 1 54 MET H . . 4.150 3.750 3.565 3.909 . 0 0 "[ . 1 . 2]" 1
1060 1 51 ARG HA 1 54 MET HB2 . . 3.720 2.594 2.330 2.837 . 0 0 "[ . 1 . 2]" 1
1061 1 51 ARG HA 1 54 MET HB3 . . 4.390 4.041 3.709 4.394 0.004 15 0 "[ . 1 . 2]" 1
1062 1 51 ARG HA 1 54 MET HG2 . . 4.530 4.708 4.520 4.780 0.250 6 0 "[ . 1 . 2]" 1
1063 1 51 ARG HA 1 54 MET HG3 . . 4.760 3.358 2.873 3.598 . 0 0 "[ . 1 . 2]" 1
1064 1 51 ARG HA 1 55 GLU H . . 5.060 4.372 4.065 4.702 . 0 0 "[ . 1 . 2]" 1
1065 1 51 ARG HA 1 55 GLU HG3 . . 5.440 4.601 3.918 5.113 . 0 0 "[ . 1 . 2]" 1
1066 1 51 ARG HB2 1 51 ARG QD . . 3.730 2.104 1.979 2.200 . 0 0 "[ . 1 . 2]" 1
1067 1 51 ARG HB2 1 52 LYS H . . 3.880 2.955 2.808 3.151 . 0 0 "[ . 1 . 2]" 1
1068 1 51 ARG HB3 1 51 ARG QD . . 3.390 2.963 2.841 3.214 . 0 0 "[ . 1 . 2]" 1
1069 1 51 ARG HB3 1 52 LYS H . . 3.790 2.978 2.701 3.289 . 0 0 "[ . 1 . 2]" 1
1070 1 51 ARG HG2 1 52 LYS H . . 5.300 5.053 4.845 5.265 . 0 0 "[ . 1 . 2]" 1
1071 1 51 ARG HG3 1 52 LYS H . . 5.350 4.905 4.836 4.979 . 0 0 "[ . 1 . 2]" 1
1072 1 52 LYS H 1 52 LYS QB . . 3.040 2.138 2.109 2.167 . 0 0 "[ . 1 . 2]" 1
1073 1 52 LYS H 1 52 LYS HD3 . . 5.460 4.418 4.323 4.480 . 0 0 "[ . 1 . 2]" 1
1074 1 52 LYS H 1 52 LYS HG2 . . 4.870 4.527 4.503 4.555 . 0 0 "[ . 1 . 2]" 1
1075 1 52 LYS H 1 52 LYS HG3 . . 4.940 4.214 4.140 4.295 . 0 0 "[ . 1 . 2]" 1
1076 1 52 LYS H 1 53 TYR H . . 3.390 2.919 2.754 3.075 . 0 0 "[ . 1 . 2]" 1
1077 1 52 LYS H 1 53 TYR QB . . 4.930 4.325 4.193 4.420 . 0 0 "[ . 1 . 2]" 1
1078 1 52 LYS H 1 54 MET H . . 4.640 4.242 3.822 4.502 . 0 0 "[ . 1 . 2]" 1
1079 1 52 LYS H 1 55 GLU H . . 5.380 4.834 4.591 4.996 . 0 0 "[ . 1 . 2]" 1
1080 1 52 LYS HA 1 52 LYS HD2 . . 3.320 3.307 3.267 3.331 0.011 8 0 "[ . 1 . 2]" 1
1081 1 52 LYS HA 1 52 LYS HD3 . . 3.450 2.100 1.997 2.183 . 0 0 "[ . 1 . 2]" 1
1082 1 52 LYS HA 1 52 LYS HE2 . . 4.270 4.165 4.042 4.277 0.007 20 0 "[ . 1 . 2]" 1
1083 1 52 LYS HA 1 52 LYS HE3 . . 5.130 4.688 4.459 4.812 . 0 0 "[ . 1 . 2]" 1
1084 1 52 LYS HA 1 52 LYS HG2 . . 4.030 3.867 3.831 3.895 . 0 0 "[ . 1 . 2]" 1
1085 1 52 LYS HA 1 54 MET H . . 5.080 4.672 4.339 4.823 . 0 0 "[ . 1 . 2]" 1
1086 1 52 LYS HA 1 55 GLU H . . 4.310 3.571 3.387 3.722 . 0 0 "[ . 1 . 2]" 1
1087 1 52 LYS HA 1 55 GLU QB . . 3.980 3.066 2.459 3.339 . 0 0 "[ . 1 . 2]" 1
1088 1 52 LYS HA 1 55 GLU HG2 . . 4.710 4.508 4.191 4.710 . 0 0 "[ . 1 . 2]" 1
1089 1 52 LYS HA 1 55 GLU HG3 . . 4.210 3.087 2.689 3.274 . 0 0 "[ . 1 . 2]" 1
1090 1 52 LYS QB 1 52 LYS HE2 . . 3.910 3.219 3.118 3.408 . 0 0 "[ . 1 . 2]" 1
1091 1 52 LYS QB 1 52 LYS HE3 . . 4.590 3.294 3.067 3.488 . 0 0 "[ . 1 . 2]" 1
1092 1 52 LYS QB 1 53 TYR H . . 3.800 2.445 2.329 2.581 . 0 0 "[ . 1 . 2]" 1
1093 1 52 LYS QB 1 53 TYR HA . . 5.380 4.386 4.314 4.473 . 0 0 "[ . 1 . 2]" 1
1094 1 52 LYS HD2 1 53 TYR HA . . 5.090 4.362 3.940 4.708 . 0 0 "[ . 1 . 2]" 1
1095 1 52 LYS HD2 1 55 GLU QB . . 5.100 3.790 3.509 4.088 . 0 0 "[ . 1 . 2]" 1
1096 1 52 LYS HD3 1 55 GLU QB . . 5.130 3.561 3.164 3.942 . 0 0 "[ . 1 . 2]" 1
1097 1 52 LYS HE2 1 52 LYS HG3 . . 4.170 4.063 3.984 4.159 . 0 0 "[ . 1 . 2]" 1
1098 1 52 LYS HE3 1 52 LYS HG2 . . 4.110 2.003 1.984 2.040 . 0 0 "[ . 1 . 2]" 1
1099 1 52 LYS HE3 1 52 LYS HG3 . . 4.190 3.263 3.174 3.350 . 0 0 "[ . 1 . 2]" 1
1100 1 52 LYS HG2 1 53 TYR H . . 5.140 3.945 3.765 4.099 . 0 0 "[ . 1 . 2]" 1
1101 1 52 LYS HG2 1 53 TYR HA . . 5.070 4.736 4.626 4.837 . 0 0 "[ . 1 . 2]" 1
1102 1 52 LYS HG3 1 53 TYR H . . 5.500 2.801 2.552 3.026 . 0 0 "[ . 1 . 2]" 1
1103 1 53 TYR H 1 53 TYR QB . . 3.120 2.013 1.972 2.083 . 0 0 "[ . 1 . 2]" 1
1104 1 53 TYR H 1 53 TYR QD . . 4.760 3.960 3.878 4.076 . 0 0 "[ . 1 . 2]" 1
1105 1 53 TYR H 1 54 MET H . . 3.710 2.988 2.830 3.170 . 0 0 "[ . 1 . 2]" 1
1106 1 53 TYR H 1 55 GLU H . . 4.970 4.362 4.241 4.545 . 0 0 "[ . 1 . 2]" 1
1107 1 53 TYR HA 1 53 TYR QD . . 3.550 3.091 2.968 3.179 . 0 0 "[ . 1 . 2]" 1
1108 1 53 TYR HA 1 53 TYR QE . . 5.400 4.747 4.686 4.879 . 0 0 "[ . 1 . 2]" 1
1109 1 53 TYR HA 1 55 GLU H . . 4.980 4.316 4.078 4.635 . 0 0 "[ . 1 . 2]" 1
1110 1 53 TYR HA 1 57 PRO HA . . 5.270 3.699 3.330 4.247 . 0 0 "[ . 1 . 2]" 1
1111 1 53 TYR QB 1 54 MET H . . 3.660 2.183 2.014 2.476 . 0 0 "[ . 1 . 2]" 1
1112 1 53 TYR QB 1 54 MET HA . . 4.870 3.798 3.726 3.947 . 0 0 "[ . 1 . 2]" 1
1113 1 53 TYR QB 1 54 MET HG2 . . 5.070 4.048 3.077 4.657 . 0 0 "[ . 1 . 2]" 1
1114 1 53 TYR QB 1 54 MET HG3 . . 4.950 3.770 3.252 4.549 . 0 0 "[ . 1 . 2]" 1
1115 1 53 TYR QD 1 54 MET H . . 4.730 3.362 2.817 3.735 . 0 0 "[ . 1 . 2]" 1
1116 1 53 TYR QD 1 54 MET HA . . 4.320 3.004 2.486 3.284 . 0 0 "[ . 1 . 2]" 1
1117 1 53 TYR QD 1 54 MET HG2 . . 4.400 3.781 2.760 4.491 0.091 20 0 "[ . 1 . 2]" 1
1118 1 53 TYR QD 1 54 MET HG3 . . 4.490 4.399 4.186 4.505 0.015 7 0 "[ . 1 . 2]" 1
1119 1 53 TYR QE 1 57 PRO HA . . 4.600 3.397 2.692 4.237 . 0 0 "[ . 1 . 2]" 1
1120 1 53 TYR QE 1 57 PRO HB2 . . 5.050 3.622 2.781 4.616 . 0 0 "[ . 1 . 2]" 1
1121 1 53 TYR QE 1 57 PRO HB3 . . 5.090 3.036 2.495 3.729 . 0 0 "[ . 1 . 2]" 1
1122 1 54 MET H 1 54 MET HB2 . . 3.570 2.307 2.202 2.438 . 0 0 "[ . 1 . 2]" 1
1123 1 54 MET H 1 54 MET HB3 . . 3.980 3.504 3.469 3.538 . 0 0 "[ . 1 . 2]" 1
1124 1 54 MET H 1 54 MET HG2 . . 3.980 3.081 2.324 3.592 . 0 0 "[ . 1 . 2]" 1
1125 1 54 MET H 1 54 MET HG3 . . 3.950 2.642 2.184 3.190 . 0 0 "[ . 1 . 2]" 1
1126 1 54 MET H 1 55 GLU H . . 3.330 2.928 2.820 3.021 . 0 0 "[ . 1 . 2]" 1
1127 1 54 MET HA 1 54 MET ME . . 4.040 3.797 3.023 4.051 0.011 15 0 "[ . 1 . 2]" 1
1128 1 54 MET HA 1 54 MET HG2 . . 4.140 2.295 2.132 2.486 . 0 0 "[ . 1 . 2]" 1
1129 1 54 MET HA 1 54 MET HG3 . . 3.720 3.218 2.879 3.692 . 0 0 "[ . 1 . 2]" 1
1130 1 54 MET HA 1 57 PRO QD . . 4.440 3.986 3.860 4.147 . 0 0 "[ . 1 . 2]" 1
1131 1 54 MET HA 1 57 PRO QG . . 4.460 3.597 3.392 3.828 . 0 0 "[ . 1 . 2]" 1
1132 1 54 MET HB2 1 55 GLU H . . 4.290 2.669 2.498 2.801 . 0 0 "[ . 1 . 2]" 1
1133 1 54 MET HB3 1 55 GLU H . . 4.870 3.395 3.215 3.583 . 0 0 "[ . 1 . 2]" 1
1134 1 55 GLU H 1 55 GLU QB . . 3.190 2.382 2.349 2.419 . 0 0 "[ . 1 . 2]" 1
1135 1 55 GLU H 1 55 GLU HG2 . . 4.080 2.564 2.456 2.701 . 0 0 "[ . 1 . 2]" 1
1136 1 55 GLU H 1 55 GLU HG3 . . 3.760 2.839 2.757 2.938 . 0 0 "[ . 1 . 2]" 1
1137 1 55 GLU H 1 56 ASN H . . 4.030 2.663 2.526 2.793 . 0 0 "[ . 1 . 2]" 1
1138 1 55 GLU HA 1 55 GLU HG2 . . 3.650 2.365 2.327 2.436 . 0 0 "[ . 1 . 2]" 1
1139 1 55 GLU HA 1 55 GLU HG3 . . 3.970 3.614 3.586 3.666 . 0 0 "[ . 1 . 2]" 1
1140 1 55 GLU HA 1 56 ASN HA . . 5.210 4.504 4.497 4.508 . 0 0 "[ . 1 . 2]" 1
1141 1 55 GLU HA 1 57 PRO QD . . 5.200 3.558 3.507 3.605 . 0 0 "[ . 1 . 2]" 1
1142 1 55 GLU QB 1 55 GLU HG2 . . 2.690 2.571 2.569 2.572 . 0 0 "[ . 1 . 2]" 1
1143 1 55 GLU QB 1 56 ASN H . . 4.510 2.530 2.434 2.654 . 0 0 "[ . 1 . 2]" 1
1144 1 55 GLU HG2 1 57 PRO QD . . 5.500 5.491 5.453 5.522 0.022 18 0 "[ . 1 . 2]" 1
1145 1 56 ASN H 1 57 PRO HA . . 4.520 4.468 4.426 4.521 0.001 18 0 "[ . 1 . 2]" 1
1146 1 56 ASN H 1 57 PRO QD . . 4.390 3.125 3.058 3.196 . 0 0 "[ . 1 . 2]" 1
1147 1 56 ASN HA 1 57 PRO QD . . 2.880 2.139 2.126 2.153 . 0 0 "[ . 1 . 2]" 1
1148 1 56 ASN HA 1 57 PRO QG . . 4.670 4.094 4.079 4.108 . 0 0 "[ . 1 . 2]" 1
1149 1 56 ASN HB2 1 57 PRO HA . . 5.500 5.470 5.094 6.031 0.531 10 1 "[ . + . 2]" 1
1150 1 56 ASN HB2 1 57 PRO QD . . 4.590 4.300 4.063 4.380 . 0 0 "[ . 1 . 2]" 1
1151 1 56 ASN HB3 1 57 PRO QD . . 4.610 4.215 4.097 4.370 . 0 0 "[ . 1 . 2]" 1
1152 1 57 PRO QD 1 58 ARG H . . 4.740 2.855 2.326 4.714 . 0 0 "[ . 1 . 2]" 1
1153 1 57 PRO QG 1 58 ARG H . . 5.150 2.685 2.265 3.834 . 0 0 "[ . 1 . 2]" 1
1154 1 58 ARG H 1 58 ARG HB2 . . 3.980 3.132 2.096 3.907 . 0 0 "[ . 1 . 2]" 1
1155 1 58 ARG H 1 58 ARG HB3 . . 4.000 3.205 2.579 3.999 . 0 0 "[ . 1 . 2]" 1
1156 1 58 ARG H 1 58 ARG QD . . 5.500 4.538 3.769 5.179 . 0 0 "[ . 1 . 2]" 1
1157 1 58 ARG H 1 58 ARG QG . . 4.370 3.356 1.981 4.284 . 0 0 "[ . 1 . 2]" 1
1158 1 58 ARG HA 1 58 ARG QD . . 4.570 3.844 3.184 4.315 . 0 0 "[ . 1 . 2]" 1
1159 1 58 ARG HA 1 58 ARG QG . . 3.720 2.529 1.983 3.339 . 0 0 "[ . 1 . 2]" 1
1160 1 58 ARG HB2 1 58 ARG QD . . 3.920 2.760 1.992 3.300 . 0 0 "[ . 1 . 2]" 1
1161 1 58 ARG HB3 1 58 ARG QD . . 3.850 2.253 1.999 3.035 . 0 0 "[ . 1 . 2]" 1
1162 1 59 GLY QA 1 60 LYS HB2 . . 5.130 4.060 3.650 5.455 0.325 17 0 "[ . 1 . 2]" 1
1163 1 60 LYS HA 1 60 LYS QD . . 4.620 3.526 2.411 4.158 . 0 0 "[ . 1 . 2]" 1
1164 1 60 LYS HA 1 60 LYS HG3 . . 4.210 2.660 2.025 3.578 . 0 0 "[ . 1 . 2]" 1
1165 1 60 LYS QD 1 60 LYS HG2 . . 2.600 2.394 2.180 2.571 . 0 0 "[ . 1 . 2]" 1
1166 1 63 GLN QG 1 64 LYS QB . . 5.290 4.311 2.797 5.263 . 0 0 "[ . 1 . 2]" 1
1167 1 63 GLN QG 1 64 LYS HG3 . . 5.500 4.860 2.434 6.250 0.750 19 2 "[- . 1 . +2]" 1
1168 1 64 LYS HA 1 65 HIS HB2 . . 5.500 4.507 3.854 5.792 0.292 9 0 "[ . 1 . 2]" 1
1169 1 65 HIS HA 1 66 VAL MG1 . . 5.280 4.748 3.481 5.634 0.354 9 0 "[ . 1 . 2]" 1
1170 1 65 HIS HB3 1 66 VAL HA . . 5.380 4.899 4.109 5.907 0.527 9 1 "[ . +1 . 2]" 1
1171 1 66 VAL HA 1 66 VAL MG2 . . 3.550 2.519 2.174 3.221 . 0 0 "[ . 1 . 2]" 1
1172 1 67 THR HA 1 67 THR HB . . 3.020 2.716 2.365 3.064 0.044 15 0 "[ . 1 . 2]" 1
1173 1 69 GLY HA2 1 70 PRO QD . . 3.650 2.145 1.947 3.392 . 0 0 "[ . 1 . 2]" 1
1174 1 69 GLY HA3 1 70 PRO QD . . 3.790 2.999 1.966 3.464 . 0 0 "[ . 1 . 2]" 1
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