NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
448101 |
2noc   |
7366 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2noc
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 1266
_Distance_constraint_stats_list.Viol_count 2031
_Distance_constraint_stats_list.Viol_total 2589.364
_Distance_constraint_stats_list.Viol_max 0.397
_Distance_constraint_stats_list.Viol_rms 0.0235
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0051
_Distance_constraint_stats_list.Viol_average_violations_only 0.0637
_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 22 ALA 0.647 0.105 6 0 "[ . 1 . 2]"
1 23 GLU 0.662 0.125 3 0 "[ . 1 . 2]"
1 24 ILE 3.333 0.223 9 0 "[ . 1 . 2]"
1 25 MET 0.630 0.138 1 0 "[ . 1 . 2]"
1 26 LYS 3.655 0.130 7 0 "[ . 1 . 2]"
1 27 LYS 0.992 0.131 15 0 "[ . 1 . 2]"
1 28 THR 2.656 0.193 10 0 "[ . 1 . 2]"
1 29 ASP 4.749 0.157 13 0 "[ . 1 . 2]"
1 30 PHE 1.023 0.138 1 0 "[ . 1 . 2]"
1 31 ASP 4.228 0.151 20 0 "[ . 1 . 2]"
1 32 LYS 9.227 0.193 10 0 "[ . 1 . 2]"
1 33 VAL 2.326 0.114 18 0 "[ . 1 . 2]"
1 34 ALA 2.327 0.151 20 0 "[ . 1 . 2]"
1 35 SER 2.688 0.187 8 0 "[ . 1 . 2]"
1 36 GLU 3.959 0.248 20 0 "[ . 1 . 2]"
1 37 TYR 2.857 0.164 12 0 "[ . 1 . 2]"
1 38 THR 2.652 0.164 12 0 "[ . 1 . 2]"
1 39 LYS 2.838 0.340 14 0 "[ . 1 . 2]"
1 40 ILE 1.078 0.112 10 0 "[ . 1 . 2]"
1 41 GLY 0.596 0.112 10 0 "[ . 1 . 2]"
1 42 THR 2.647 0.231 1 0 "[ . 1 . 2]"
1 43 ILE 5.664 0.231 1 0 "[ . 1 . 2]"
1 44 SER 4.360 0.189 8 0 "[ . 1 . 2]"
1 45 THR 2.863 0.213 13 0 "[ . 1 . 2]"
1 46 THR 2.297 0.205 16 0 "[ . 1 . 2]"
1 47 GLY 3.369 0.244 1 0 "[ . 1 . 2]"
1 48 GLU 3.767 0.244 1 0 "[ . 1 . 2]"
1 49 MET 0.492 0.115 2 0 "[ . 1 . 2]"
1 50 SER 0.157 0.045 16 0 "[ . 1 . 2]"
1 51 PRO 2.019 0.220 9 0 "[ . 1 . 2]"
1 52 LEU 2.470 0.240 12 0 "[ . 1 . 2]"
1 53 ASP 0.698 0.068 18 0 "[ . 1 . 2]"
1 54 ALA 0.477 0.173 10 0 "[ . 1 . 2]"
1 55 ARG 7.232 0.240 12 0 "[ . 1 . 2]"
1 56 GLU 1.424 0.119 9 0 "[ . 1 . 2]"
1 57 ASP 2.165 0.120 6 0 "[ . 1 . 2]"
1 58 LEU 4.171 0.148 12 0 "[ . 1 . 2]"
1 59 ILE 4.439 0.234 9 0 "[ . 1 . 2]"
1 60 LYS 2.172 0.159 15 0 "[ . 1 . 2]"
1 61 LYS 9.008 0.308 6 0 "[ . 1 . 2]"
1 62 ALA 4.495 0.308 6 0 "[ . 1 . 2]"
1 63 ASP 0.166 0.047 18 0 "[ . 1 . 2]"
1 64 GLU 7.118 0.183 2 0 "[ . 1 . 2]"
1 65 LYS 0.084 0.024 1 0 "[ . 1 . 2]"
1 66 GLY 1.493 0.086 4 0 "[ . 1 . 2]"
1 67 ALA 3.209 0.200 11 0 "[ . 1 . 2]"
1 68 ASP 2.342 0.191 8 0 "[ . 1 . 2]"
1 69 VAL 3.218 0.191 8 0 "[ . 1 . 2]"
1 70 VAL 3.895 0.223 9 0 "[ . 1 . 2]"
1 71 VAL 1.679 0.143 1 0 "[ . 1 . 2]"
1 72 LEU 1.509 0.089 12 0 "[ . 1 . 2]"
1 73 THR 2.614 0.263 12 0 "[ . 1 . 2]"
1 74 SER 2.028 0.263 12 0 "[ . 1 . 2]"
1 75 GLY 3.403 0.366 7 0 "[ . 1 . 2]"
1 76 GLN 5.140 0.372 6 0 "[ . 1 . 2]"
1 77 THR 4.615 0.372 6 0 "[ . 1 . 2]"
1 78 GLU 2.600 0.264 5 0 "[ . 1 . 2]"
1 79 ASN 4.467 0.323 20 0 "[ . 1 . 2]"
1 80 LYS 3.059 0.317 16 0 "[ . 1 . 2]"
1 81 ILE 5.863 0.397 5 0 "[ . 1 . 2]"
1 82 HIS 2.400 0.397 5 0 "[ . 1 . 2]"
1 83 GLY 1.595 0.149 19 0 "[ . 1 . 2]"
1 84 THR 4.333 0.281 13 0 "[ . 1 . 2]"
1 85 ALA 1.715 0.281 13 0 "[ . 1 . 2]"
1 86 ASP 4.997 0.237 12 0 "[ . 1 . 2]"
1 87 ILE 3.692 0.237 12 0 "[ . 1 . 2]"
1 88 TYR 2.055 0.164 12 0 "[ . 1 . 2]"
1 89 LYS 8.778 0.340 14 0 "[ . 1 . 2]"
1 90 LYS 3.403 0.260 10 0 "[ . 1 . 2]"
1 91 LYS 6.804 0.325 11 0 "[ . 1 . 2]"
1 92 LEU 4.324 0.325 11 0 "[ . 1 . 2]"
1 93 GLU 2.303 0.219 9 0 "[ . 1 . 2]"
1 94 HIS 1.221 0.219 9 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 22 ALA HA 1 23 GLU H 2.380 . 2.960 2.201 2.095 2.534 . 0 0 "[ . 1 . 2]" 1
2 1 22 ALA HA 1 68 ASP HA 2.480 . 3.170 2.951 2.483 3.275 0.105 6 0 "[ . 1 . 2]" 1
3 1 22 ALA MB 1 23 GLU H 2.900 . 4.010 3.328 2.670 3.724 . 0 0 "[ . 1 . 2]" 1
4 1 22 ALA MB 1 63 ASP HA 4.080 . 6.360 3.026 1.999 5.241 . 0 0 "[ . 1 . 2]" 1
5 1 22 ALA MB 1 68 ASP H 3.380 . 4.970 4.741 3.965 5.034 0.064 9 0 "[ . 1 . 2]" 1
6 1 22 ALA MB 1 68 ASP HA 3.770 . 5.740 3.745 2.837 4.476 . 0 0 "[ . 1 . 2]" 1
7 1 22 ALA MB 1 69 VAL H 3.470 . 5.150 4.758 4.044 5.200 0.050 14 0 "[ . 1 . 2]" 1
8 1 22 ALA MB 1 69 VAL HA 3.880 . 5.960 4.332 3.861 5.033 . 0 0 "[ . 1 . 2]" 1
9 1 23 GLU H 1 23 GLU HB2 2.670 . 3.550 2.917 2.415 3.328 . 0 0 "[ . 1 . 2]" 1
10 1 23 GLU H 1 23 GLU QB 2.550 . 3.300 2.561 2.277 2.802 . 0 0 "[ . 1 . 2]" 1
11 1 23 GLU H 1 23 GLU HB3 2.670 . 3.550 3.039 2.614 3.675 0.125 3 0 "[ . 1 . 2]" 1
12 1 23 GLU H 1 23 GLU QG 3.410 . 5.020 3.898 2.774 4.263 . 0 0 "[ . 1 . 2]" 1
13 1 23 GLU H 1 24 ILE H 3.650 . 5.500 4.438 4.348 4.559 . 0 0 "[ . 1 . 2]" 1
14 1 23 GLU H 1 68 ASP HA 3.240 . 4.690 4.237 3.862 4.728 0.038 16 0 "[ . 1 . 2]" 1
15 1 23 GLU H 1 69 VAL HA 2.410 . 3.020 2.446 2.210 2.705 . 0 0 "[ . 1 . 2]" 1
16 1 23 GLU H 1 69 VAL QG 4.170 . 6.550 3.429 2.835 3.753 . 0 0 "[ . 1 . 2]" 1
17 1 23 GLU H 1 70 VAL H 2.810 . 3.830 3.454 2.887 3.863 0.033 16 0 "[ . 1 . 2]" 1
18 1 23 GLU H 1 70 VAL MG2 3.400 . 5.000 3.485 2.791 4.286 . 0 0 "[ . 1 . 2]" 1
19 1 23 GLU HA 1 24 ILE H 2.250 . 2.710 2.355 2.205 2.591 . 0 0 "[ . 1 . 2]" 1
20 1 23 GLU QB 1 24 ILE H 2.810 . 3.830 3.110 2.051 3.552 . 0 0 "[ . 1 . 2]" 1
21 1 23 GLU QB 1 69 VAL QG 4.230 . 6.660 3.462 1.808 4.486 . 0 0 "[ . 1 . 2]" 1
22 1 23 GLU HB2 1 24 ILE H 2.930 . 4.070 3.929 3.585 4.160 0.090 11 0 "[ . 1 . 2]" 1
23 1 23 GLU HB2 1 69 VAL MG1 5.260 . 8.720 5.547 4.204 6.247 . 0 0 "[ . 1 . 2]" 1
24 1 23 GLU HB2 1 69 VAL MG2 5.260 . 8.720 4.724 2.888 5.912 . 0 0 "[ . 1 . 2]" 1
25 1 23 GLU HB3 1 24 ILE H 2.930 . 4.070 3.316 2.064 3.854 . 0 0 "[ . 1 . 2]" 1
26 1 23 GLU HB3 1 69 VAL MG1 5.260 . 8.720 4.695 3.517 5.494 . 0 0 "[ . 1 . 2]" 1
27 1 23 GLU HB3 1 69 VAL MG2 5.260 . 8.720 4.060 1.828 6.025 . 0 0 "[ . 1 . 2]" 1
28 1 23 GLU QG 1 24 ILE H 3.610 . 5.420 2.582 1.791 4.330 0.009 13 0 "[ . 1 . 2]" 1
29 1 23 GLU QG 1 69 VAL QG 5.220 . 8.640 4.540 3.276 5.758 . 0 0 "[ . 1 . 2]" 1
30 1 24 ILE H 1 24 ILE HB 2.310 . 2.830 2.482 2.416 2.601 . 0 0 "[ . 1 . 2]" 1
31 1 24 ILE H 1 24 ILE MD 2.840 . 3.890 3.598 3.356 3.853 . 0 0 "[ . 1 . 2]" 1
32 1 24 ILE H 1 24 ILE HG12 2.420 . 3.050 2.402 2.193 2.600 . 0 0 "[ . 1 . 2]" 1
33 1 24 ILE H 1 24 ILE HG13 3.150 . 4.510 3.703 3.539 3.840 . 0 0 "[ . 1 . 2]" 1
34 1 24 ILE H 1 25 MET H 3.400 . 5.000 4.549 4.459 4.620 . 0 0 "[ . 1 . 2]" 1
35 1 24 ILE HA 1 24 ILE MD 3.290 . 4.780 2.130 2.047 2.249 . 0 0 "[ . 1 . 2]" 1
36 1 24 ILE HA 1 24 ILE HG12 2.840 . 3.890 2.969 2.827 3.141 . 0 0 "[ . 1 . 2]" 1
37 1 24 ILE HA 1 24 ILE HG13 2.760 . 3.730 3.772 3.744 3.821 0.091 3 0 "[ . 1 . 2]" 1
38 1 24 ILE HA 1 25 MET H 2.220 . 2.650 2.236 2.176 2.404 . 0 0 "[ . 1 . 2]" 1
39 1 24 ILE HA 1 70 VAL H 2.410 . 3.020 3.136 3.052 3.243 0.223 9 0 "[ . 1 . 2]" 1
40 1 24 ILE HB 1 24 ILE HG12 2.280 . 2.770 2.509 2.449 2.557 . 0 0 "[ . 1 . 2]" 1
41 1 24 ILE HB 1 25 MET H 3.110 . 4.420 4.075 3.689 4.282 . 0 0 "[ . 1 . 2]" 1
42 1 24 ILE MD 1 25 MET H 3.070 . 4.350 3.669 3.537 3.811 . 0 0 "[ . 1 . 2]" 1
43 1 24 ILE MD 1 71 VAL HA 4.160 . 6.520 3.189 2.598 4.614 . 0 0 "[ . 1 . 2]" 1
44 1 24 ILE HG12 1 25 MET H 3.590 . 5.380 4.997 4.909 5.161 . 0 0 "[ . 1 . 2]" 1
45 1 24 ILE HG13 1 24 ILE MG 2.700 . 3.600 2.428 2.356 2.499 . 0 0 "[ . 1 . 2]" 1
46 1 24 ILE HG13 1 25 MET H 3.650 . 5.500 5.344 5.109 5.518 0.018 14 0 "[ . 1 . 2]" 1
47 1 24 ILE MG 1 25 MET H 3.660 . 5.530 2.489 2.031 2.803 . 0 0 "[ . 1 . 2]" 1
48 1 25 MET H 1 25 MET HB2 2.870 . 3.950 2.562 2.332 2.802 . 0 0 "[ . 1 . 2]" 1
49 1 25 MET H 1 25 MET QB 2.730 . 3.670 2.497 2.303 2.646 . 0 0 "[ . 1 . 2]" 1
50 1 25 MET H 1 25 MET HB3 2.870 . 3.950 3.609 2.744 3.808 . 0 0 "[ . 1 . 2]" 1
51 1 25 MET H 1 25 MET HG2 3.650 . 5.500 3.614 2.747 4.914 . 0 0 "[ . 1 . 2]" 1
52 1 25 MET H 1 25 MET QG 3.310 . 4.830 3.349 2.708 4.254 . 0 0 "[ . 1 . 2]" 1
53 1 25 MET H 1 25 MET HG3 3.650 . 5.500 4.287 3.073 4.659 . 0 0 "[ . 1 . 2]" 1
54 1 25 MET H 1 26 LYS H 3.450 . 5.100 4.465 4.355 4.561 . 0 0 "[ . 1 . 2]" 1
55 1 25 MET H 1 71 VAL QG 4.190 . 6.580 3.554 3.021 4.142 . 0 0 "[ . 1 . 2]" 1
56 1 25 MET HA 1 25 MET HG2 2.780 . 3.760 3.140 2.501 3.685 . 0 0 "[ . 1 . 2]" 1
57 1 25 MET HA 1 25 MET QG 2.580 . 3.360 2.732 2.398 3.036 . 0 0 "[ . 1 . 2]" 1
58 1 25 MET HA 1 25 MET HG3 2.780 . 3.760 3.351 2.448 3.796 0.036 17 0 "[ . 1 . 2]" 1
59 1 25 MET HA 1 26 LYS H 2.220 . 2.650 2.293 2.146 2.651 0.001 12 0 "[ . 1 . 2]" 1
60 1 25 MET QB 1 26 LYS H 3.080 . 4.360 2.751 1.919 3.596 . 0 0 "[ . 1 . 2]" 1
61 1 25 MET QB 1 29 ASP QB 3.590 . 5.380 3.331 2.389 4.497 . 0 0 "[ . 1 . 2]" 1
62 1 25 MET QB 1 30 PHE H 3.230 . 4.670 3.356 2.882 4.004 . 0 0 "[ . 1 . 2]" 1
63 1 25 MET QB 1 30 PHE QB 3.210 . 4.630 2.448 1.843 3.318 . 0 0 "[ . 1 . 2]" 1
64 1 25 MET QB 1 69 VAL QG 4.150 . 6.500 2.430 1.848 3.010 . 0 0 "[ . 1 . 2]" 1
65 1 25 MET QB 1 71 VAL QG 4.410 . 7.020 3.632 2.760 4.471 . 0 0 "[ . 1 . 2]" 1
66 1 25 MET HB2 1 26 LYS H 3.170 . 4.540 3.938 3.187 4.337 . 0 0 "[ . 1 . 2]" 1
67 1 25 MET HB2 1 29 ASP QB 3.820 . 5.850 4.822 3.949 5.936 0.086 17 0 "[ . 1 . 2]" 1
68 1 25 MET HB2 1 30 PHE H 3.400 . 5.000 4.557 3.911 5.138 0.138 1 0 "[ . 1 . 2]" 1
69 1 25 MET HB2 1 30 PHE HB2 3.600 . 5.410 2.939 1.894 3.739 . 0 0 "[ . 1 . 2]" 1
70 1 25 MET HB2 1 30 PHE HB3 3.600 . 5.410 4.660 3.566 5.440 0.030 6 0 "[ . 1 . 2]" 1
71 1 25 MET HB2 1 69 VAL MG1 5.090 . 8.380 2.515 1.936 3.148 . 0 0 "[ . 1 . 2]" 1
72 1 25 MET HB2 1 69 VAL MG2 5.090 . 8.380 3.835 2.819 4.854 . 0 0 "[ . 1 . 2]" 1
73 1 25 MET HB2 1 71 VAL MG1 5.290 . 8.780 5.643 4.140 6.507 . 0 0 "[ . 1 . 2]" 1
74 1 25 MET HB2 1 71 VAL MG2 5.290 . 8.780 3.891 2.864 4.761 . 0 0 "[ . 1 . 2]" 1
75 1 25 MET HB3 1 26 LYS H 3.170 . 4.540 2.821 1.935 3.840 . 0 0 "[ . 1 . 2]" 1
76 1 25 MET HB3 1 29 ASP QB 3.820 . 5.850 3.414 2.409 4.661 . 0 0 "[ . 1 . 2]" 1
77 1 25 MET HB3 1 30 PHE H 3.400 . 5.000 3.471 2.936 4.262 . 0 0 "[ . 1 . 2]" 1
78 1 25 MET HB3 1 30 PHE HB2 3.600 . 5.410 2.858 1.926 3.869 . 0 0 "[ . 1 . 2]" 1
79 1 25 MET HB3 1 30 PHE HB3 3.600 . 5.410 4.328 3.633 5.269 . 0 0 "[ . 1 . 2]" 1
80 1 25 MET HB3 1 69 VAL MG1 5.090 . 8.380 3.684 2.480 4.295 . 0 0 "[ . 1 . 2]" 1
81 1 25 MET HB3 1 69 VAL MG2 5.090 . 8.380 4.578 3.873 5.631 . 0 0 "[ . 1 . 2]" 1
82 1 25 MET HB3 1 71 VAL MG1 5.290 . 8.780 6.463 5.178 7.547 . 0 0 "[ . 1 . 2]" 1
83 1 25 MET HB3 1 71 VAL MG2 5.290 . 8.780 4.958 3.452 6.031 . 0 0 "[ . 1 . 2]" 1
84 1 25 MET QG 1 26 LYS H 3.100 . 4.400 3.936 2.461 4.421 0.021 9 0 "[ . 1 . 2]" 1
85 1 25 MET QG 1 69 VAL QG 3.330 . 4.860 2.187 1.790 2.916 0.010 9 0 "[ . 1 . 2]" 1
86 1 25 MET HG2 1 26 LYS H 3.420 . 5.040 4.700 3.884 4.994 . 0 0 "[ . 1 . 2]" 1
87 1 25 MET HG2 1 69 VAL MG1 3.690 . 5.590 2.642 1.997 3.834 . 0 0 "[ . 1 . 2]" 1
88 1 25 MET HG2 1 69 VAL MG2 3.690 . 5.590 2.938 2.128 4.952 . 0 0 "[ . 1 . 2]" 1
89 1 25 MET HG3 1 26 LYS H 3.420 . 5.040 4.368 2.482 5.075 0.035 9 0 "[ . 1 . 2]" 1
90 1 25 MET HG3 1 69 VAL MG1 3.690 . 5.590 3.076 2.077 4.252 . 0 0 "[ . 1 . 2]" 1
91 1 25 MET HG3 1 69 VAL MG2 3.690 . 5.590 3.183 2.062 4.789 . 0 0 "[ . 1 . 2]" 1
92 1 26 LYS H 1 26 LYS HB2 2.640 . 3.480 2.485 2.372 2.701 . 0 0 "[ . 1 . 2]" 1
93 1 26 LYS H 1 26 LYS HB3 2.640 . 3.480 3.564 3.531 3.594 0.114 13 0 "[ . 1 . 2]" 1
94 1 26 LYS H 1 26 LYS QD 3.640 . 5.480 3.931 3.474 4.317 . 0 0 "[ . 1 . 2]" 1
95 1 26 LYS H 1 26 LYS HG2 2.560 . 3.330 3.181 2.242 3.442 0.112 12 0 "[ . 1 . 2]" 1
96 1 26 LYS H 1 26 LYS QG 2.430 . 3.070 2.163 1.817 2.428 . 0 0 "[ . 1 . 2]" 1
97 1 26 LYS H 1 26 LYS HG3 2.560 . 3.330 2.326 1.826 3.406 0.076 2 0 "[ . 1 . 2]" 1
98 1 26 LYS H 1 27 LYS H 3.650 . 5.500 4.605 4.364 4.665 . 0 0 "[ . 1 . 2]" 1
99 1 26 LYS H 1 29 ASP QB 3.330 . 4.860 3.101 2.167 4.679 . 0 0 "[ . 1 . 2]" 1
100 1 26 LYS H 1 71 VAL QG 4.340 . 6.890 5.998 5.081 6.743 . 0 0 "[ . 1 . 2]" 1
101 1 26 LYS HA 1 26 LYS QD 3.900 . 6.010 3.854 2.280 4.300 . 0 0 "[ . 1 . 2]" 1
102 1 26 LYS HA 1 26 LYS QE 4.090 . 6.380 4.370 1.750 5.017 0.050 2 0 "[ . 1 . 2]" 1
103 1 26 LYS HA 1 26 LYS HG2 2.790 . 3.790 2.605 2.385 2.857 . 0 0 "[ . 1 . 2]" 1
104 1 26 LYS HA 1 26 LYS QG 2.710 . 3.620 2.495 2.327 2.780 . 0 0 "[ . 1 . 2]" 1
105 1 26 LYS HA 1 26 LYS HG3 2.790 . 3.790 3.244 2.946 3.808 0.018 2 0 "[ . 1 . 2]" 1
106 1 26 LYS HA 1 27 LYS H 2.250 . 2.710 2.402 2.215 2.779 0.069 12 0 "[ . 1 . 2]" 1
107 1 26 LYS HA 1 71 VAL QG 4.500 . 7.200 5.539 4.478 6.418 . 0 0 "[ . 1 . 2]" 1
108 1 26 LYS QB 1 27 LYS H 3.050 . 4.300 2.568 1.806 3.053 . 0 0 "[ . 1 . 2]" 1
109 1 26 LYS QB 1 28 THR H 2.660 . 3.520 2.953 2.586 3.249 . 0 0 "[ . 1 . 2]" 1
110 1 26 LYS QB 1 29 ASP H 2.550 . 3.310 2.577 2.185 2.832 . 0 0 "[ . 1 . 2]" 1
111 1 26 LYS QB 1 29 ASP QB 3.820 . 5.840 2.657 2.056 3.784 . 0 0 "[ . 1 . 2]" 1
112 1 26 LYS HB2 1 26 LYS QE 4.090 . 6.380 3.311 1.873 4.215 . 0 0 "[ . 1 . 2]" 1
113 1 26 LYS HB2 1 27 LYS H 3.370 . 4.940 3.683 2.952 3.968 . 0 0 "[ . 1 . 2]" 1
114 1 26 LYS HB2 1 28 THR H 2.810 . 3.830 3.633 3.025 3.884 0.054 4 0 "[ . 1 . 2]" 1
115 1 26 LYS HB2 1 29 ASP H 2.660 . 3.520 2.655 2.206 2.950 . 0 0 "[ . 1 . 2]" 1
116 1 26 LYS HB2 1 29 ASP QB 4.070 . 6.350 2.692 2.069 3.891 . 0 0 "[ . 1 . 2]" 1
117 1 26 LYS HB3 1 26 LYS QE 4.090 . 6.380 3.300 1.939 4.211 . 0 0 "[ . 1 . 2]" 1
118 1 26 LYS HB3 1 27 LYS H 3.370 . 4.940 2.624 1.823 3.173 . 0 0 "[ . 1 . 2]" 1
119 1 26 LYS HB3 1 28 THR H 2.810 . 3.830 3.135 2.808 3.507 . 0 0 "[ . 1 . 2]" 1
120 1 26 LYS HB3 1 29 ASP H 2.660 . 3.520 3.534 3.374 3.650 0.130 7 0 "[ . 1 . 2]" 1
121 1 26 LYS HB3 1 29 ASP QB 4.070 . 6.350 4.189 3.561 5.167 . 0 0 "[ . 1 . 2]" 1
122 1 26 LYS QD 1 27 LYS H 4.090 . 6.380 4.599 3.558 5.598 . 0 0 "[ . 1 . 2]" 1
123 1 26 LYS QD 1 29 ASP H 4.030 . 6.260 4.545 3.669 5.542 . 0 0 "[ . 1 . 2]" 1
124 1 26 LYS QG 1 27 LYS H 3.390 . 4.980 4.072 3.752 4.428 . 0 0 "[ . 1 . 2]" 1
125 1 26 LYS QG 1 29 ASP H 4.040 . 6.290 4.624 4.164 4.906 . 0 0 "[ . 1 . 2]" 1
126 1 26 LYS HG2 1 27 LYS H 3.650 . 5.500 4.325 3.979 4.794 . 0 0 "[ . 1 . 2]" 1
127 1 26 LYS HG3 1 27 LYS H 3.650 . 5.500 4.986 4.592 5.249 . 0 0 "[ . 1 . 2]" 1
128 1 27 LYS H 1 27 LYS QB 2.850 . 3.900 2.275 2.181 2.394 . 0 0 "[ . 1 . 2]" 1
129 1 27 LYS H 1 27 LYS QD 4.090 . 6.380 3.879 1.790 4.642 0.010 16 0 "[ . 1 . 2]" 1
130 1 27 LYS H 1 27 LYS HG2 3.650 . 5.500 4.374 3.526 4.630 . 0 0 "[ . 1 . 2]" 1
131 1 27 LYS H 1 27 LYS QG 3.510 . 5.230 3.805 2.303 4.080 . 0 0 "[ . 1 . 2]" 1
132 1 27 LYS H 1 27 LYS HG3 3.650 . 5.500 4.218 2.334 4.623 . 0 0 "[ . 1 . 2]" 1
133 1 27 LYS H 1 28 THR H 2.390 . 2.990 2.698 2.204 2.974 . 0 0 "[ . 1 . 2]" 1
134 1 27 LYS H 1 29 ASP H 3.170 . 4.540 4.295 3.890 4.585 0.045 1 0 "[ . 1 . 2]" 1
135 1 27 LYS HA 1 27 LYS QD 3.840 . 5.890 3.140 1.795 4.271 . 0 0 "[ . 1 . 2]" 1
136 1 27 LYS HA 1 27 LYS QE 4.090 . 6.380 4.166 2.970 4.908 . 0 0 "[ . 1 . 2]" 1
137 1 27 LYS HA 1 27 LYS HG2 2.890 . 3.980 3.316 2.321 3.831 . 0 0 "[ . 1 . 2]" 1
138 1 27 LYS HA 1 27 LYS QG 2.670 . 3.550 2.555 2.276 3.019 . 0 0 "[ . 1 . 2]" 1
139 1 27 LYS HA 1 27 LYS HG3 2.890 . 3.980 2.751 2.302 3.596 . 0 0 "[ . 1 . 2]" 1
140 1 27 LYS HA 1 29 ASP H 3.340 . 4.880 4.644 4.335 4.899 0.019 12 0 "[ . 1 . 2]" 1
141 1 27 LYS HA 1 30 PHE H 2.890 . 3.980 3.529 3.035 3.931 . 0 0 "[ . 1 . 2]" 1
142 1 27 LYS HA 1 30 PHE HB2 3.070 . 4.350 3.364 2.573 4.210 . 0 0 "[ . 1 . 2]" 1
143 1 27 LYS HA 1 30 PHE QB 2.830 . 3.860 2.291 1.778 2.891 0.022 3 0 "[ . 1 . 2]" 1
144 1 27 LYS HA 1 30 PHE HB3 3.070 . 4.350 2.335 1.799 2.945 . 0 0 "[ . 1 . 2]" 1
145 1 27 LYS HA 1 31 ASP H 3.110 . 4.420 3.993 3.681 4.427 0.007 15 0 "[ . 1 . 2]" 1
146 1 27 LYS HA 1 71 VAL MG1 4.000 . 6.210 5.086 4.158 5.840 . 0 0 "[ . 1 . 2]" 1
147 1 27 LYS HA 1 71 VAL QG 3.470 . 5.150 4.537 3.599 5.192 0.042 2 0 "[ . 1 . 2]" 1
148 1 27 LYS HA 1 71 VAL MG2 4.000 . 6.210 5.111 3.942 5.815 . 0 0 "[ . 1 . 2]" 1
149 1 27 LYS QB 1 28 THR HA 3.700 . 5.600 4.081 3.767 4.259 . 0 0 "[ . 1 . 2]" 1
150 1 27 LYS QB 1 30 PHE H 3.640 . 5.480 4.951 4.678 5.208 . 0 0 "[ . 1 . 2]" 1
151 1 27 LYS QB 1 31 ASP H 3.620 . 5.450 5.111 4.379 5.531 0.081 8 0 "[ . 1 . 2]" 1
152 1 27 LYS QB 1 71 VAL QG 5.250 . 8.700 5.059 3.831 5.762 . 0 0 "[ . 1 . 2]" 1
153 1 27 LYS QD 1 28 THR H 4.060 . 6.320 4.480 3.805 5.036 . 0 0 "[ . 1 . 2]" 1
154 1 27 LYS QD 1 31 ASP H 4.090 . 6.380 5.566 3.502 6.511 0.131 15 0 "[ . 1 . 2]" 1
155 1 27 LYS QG 1 28 THR H 3.720 . 5.640 3.913 3.344 4.767 . 0 0 "[ . 1 . 2]" 1
156 1 27 LYS QG 1 31 ASP H 3.610 . 5.420 4.664 3.736 5.518 0.098 16 0 "[ . 1 . 2]" 1
157 1 27 LYS QG 1 31 ASP QB 4.390 . 6.980 4.321 3.207 5.645 . 0 0 "[ . 1 . 2]" 1
158 1 28 THR H 1 28 THR HB 2.620 . 3.450 2.981 2.483 3.572 0.122 5 0 "[ . 1 . 2]" 1
159 1 28 THR H 1 28 THR MG 2.900 . 4.010 3.031 1.970 3.773 . 0 0 "[ . 1 . 2]" 1
160 1 28 THR H 1 29 ASP H 2.330 . 2.860 2.648 2.494 2.790 . 0 0 "[ . 1 . 2]" 1
161 1 28 THR H 1 30 PHE H 3.200 . 4.600 3.877 3.619 4.067 . 0 0 "[ . 1 . 2]" 1
162 1 28 THR HA 1 30 PHE H 3.150 . 4.510 4.419 4.183 4.548 0.038 1 0 "[ . 1 . 2]" 1
163 1 28 THR HA 1 31 ASP H 2.720 . 3.640 3.599 3.358 3.730 0.090 17 0 "[ . 1 . 2]" 1
164 1 28 THR HA 1 31 ASP QB 3.160 . 4.520 3.071 2.796 3.559 . 0 0 "[ . 1 . 2]" 1
165 1 28 THR HA 1 32 LYS H 3.170 . 4.540 4.558 4.347 4.733 0.193 10 0 "[ . 1 . 2]" 1
166 1 28 THR HA 1 32 LYS QG 3.810 . 5.830 5.700 5.184 5.871 0.041 10 0 "[ . 1 . 2]" 1
167 1 28 THR HB 1 29 ASP H 2.860 . 3.920 3.033 2.341 3.969 0.049 18 0 "[ . 1 . 2]" 1
168 1 28 THR MG 1 29 ASP H 3.240 . 4.690 3.499 2.032 4.135 . 0 0 "[ . 1 . 2]" 1
169 1 28 THR MG 1 32 LYS QE 4.600 . 7.400 4.284 2.351 5.525 . 0 0 "[ . 1 . 2]" 1
170 1 29 ASP H 1 30 PHE H 2.350 . 2.900 2.534 2.339 2.740 . 0 0 "[ . 1 . 2]" 1
171 1 29 ASP H 1 31 ASP H 3.030 . 4.260 4.204 3.997 4.323 0.063 9 0 "[ . 1 . 2]" 1
172 1 29 ASP HA 1 31 ASP H 3.370 . 4.940 4.377 4.169 4.547 . 0 0 "[ . 1 . 2]" 1
173 1 29 ASP HA 1 32 LYS H 2.670 . 3.550 3.306 3.035 3.554 0.004 19 0 "[ . 1 . 2]" 1
174 1 29 ASP HA 1 32 LYS HB2 2.750 . 3.700 2.431 2.188 2.597 . 0 0 "[ . 1 . 2]" 1
175 1 29 ASP HA 1 32 LYS HB3 2.750 . 3.700 3.816 3.693 3.857 0.157 13 0 "[ . 1 . 2]" 1
176 1 29 ASP HA 1 32 LYS QD 3.060 . 4.330 3.655 3.284 3.968 . 0 0 "[ . 1 . 2]" 1
177 1 29 ASP HA 1 32 LYS QE 3.860 . 5.920 5.319 4.724 5.976 0.056 3 0 "[ . 1 . 2]" 1
178 1 29 ASP HA 1 32 LYS QG 4.090 . 6.380 3.908 3.544 4.247 . 0 0 "[ . 1 . 2]" 1
179 1 29 ASP HA 1 33 VAL H 2.860 . 3.920 3.959 3.847 4.034 0.114 18 0 "[ . 1 . 2]" 1
180 1 29 ASP QB 1 32 LYS QB 4.280 . 6.770 4.103 3.550 4.384 . 0 0 "[ . 1 . 2]" 1
181 1 30 PHE H 1 30 PHE HB2 2.500 . 3.210 2.652 2.477 2.790 . 0 0 "[ . 1 . 2]" 1
182 1 30 PHE H 1 30 PHE HB3 2.500 . 3.210 2.411 2.293 2.552 . 0 0 "[ . 1 . 2]" 1
183 1 30 PHE H 1 31 ASP H 2.350 . 2.900 2.785 2.640 2.913 0.013 1 0 "[ . 1 . 2]" 1
184 1 30 PHE H 1 32 LYS H 3.060 . 4.320 4.026 3.935 4.123 . 0 0 "[ . 1 . 2]" 1
185 1 30 PHE H 1 71 VAL QG 4.360 . 6.920 5.645 5.154 6.187 . 0 0 "[ . 1 . 2]" 1
186 1 30 PHE HA 1 32 LYS H 3.350 . 4.910 4.191 4.060 4.303 . 0 0 "[ . 1 . 2]" 1
187 1 30 PHE HA 1 33 VAL H 2.890 . 3.980 3.359 3.229 3.484 . 0 0 "[ . 1 . 2]" 1
188 1 30 PHE HA 1 33 VAL HB 3.320 . 4.850 4.721 4.646 4.846 . 0 0 "[ . 1 . 2]" 1
189 1 30 PHE HA 1 33 VAL MG1 4.160 . 6.520 3.712 3.573 3.946 . 0 0 "[ . 1 . 2]" 1
190 1 30 PHE HA 1 33 VAL MG2 2.930 . 4.070 1.798 1.728 1.908 0.062 4 0 "[ . 1 . 2]" 1
191 1 30 PHE HA 1 34 ALA H 2.950 . 4.110 3.940 3.749 4.140 0.030 20 0 "[ . 1 . 2]" 1
192 1 30 PHE QB 1 71 VAL QG 3.510 . 5.230 3.495 3.037 3.966 . 0 0 "[ . 1 . 2]" 1
193 1 30 PHE HB2 1 31 ASP H 2.900 . 4.010 3.940 3.848 4.020 0.010 17 0 "[ . 1 . 2]" 1
194 1 30 PHE HB2 1 71 VAL MG1 3.740 . 5.680 5.050 4.304 5.721 0.041 17 0 "[ . 1 . 2]" 1
195 1 30 PHE HB2 1 71 VAL MG2 3.740 . 5.680 3.826 3.297 4.480 . 0 0 "[ . 1 . 2]" 1
196 1 30 PHE HB3 1 31 ASP H 2.900 . 4.010 2.592 2.464 2.676 . 0 0 "[ . 1 . 2]" 1
197 1 30 PHE HB3 1 71 VAL MG1 3.740 . 5.680 5.338 4.866 5.768 0.088 14 0 "[ . 1 . 2]" 1
198 1 30 PHE HB3 1 71 VAL MG2 3.740 . 5.680 4.548 3.768 5.285 . 0 0 "[ . 1 . 2]" 1
199 1 30 PHE QD 1 31 ASP H 3.640 . 5.490 3.383 3.174 3.697 . 0 0 "[ . 1 . 2]" 1
200 1 30 PHE QD 1 33 VAL MG2 5.220 . 8.650 3.065 2.865 3.279 . 0 0 "[ . 1 . 2]" 1
201 1 30 PHE QD 1 69 VAL MG1 5.220 . 8.650 2.550 1.800 3.644 . 0 0 "[ . 1 . 2]" 1
202 1 30 PHE QD 1 69 VAL QG 5.010 . 8.230 2.523 1.795 3.543 . 0 0 "[ . 1 . 2]" 1
203 1 30 PHE QD 1 69 VAL MG2 5.220 . 8.650 4.126 3.281 5.311 . 0 0 "[ . 1 . 2]" 1
204 1 30 PHE QD 1 71 VAL MG1 5.220 . 8.650 4.385 3.980 5.185 . 0 0 "[ . 1 . 2]" 1
205 1 30 PHE QD 1 71 VAL QG 5.120 . 8.440 3.075 2.653 3.647 . 0 0 "[ . 1 . 2]" 1
206 1 30 PHE QD 1 71 VAL MG2 5.220 . 8.650 3.144 2.685 3.727 . 0 0 "[ . 1 . 2]" 1
207 1 30 PHE QE 1 31 ASP H 4.710 . 7.630 5.317 5.080 5.723 . 0 0 "[ . 1 . 2]" 1
208 1 31 ASP H 1 32 LYS H 2.330 . 2.860 2.589 2.528 2.667 . 0 0 "[ . 1 . 2]" 1
209 1 31 ASP H 1 33 VAL H 3.070 . 4.350 4.135 4.039 4.236 . 0 0 "[ . 1 . 2]" 1
210 1 31 ASP H 1 34 ALA MB 3.610 . 5.430 4.516 4.412 4.728 . 0 0 "[ . 1 . 2]" 1
211 1 31 ASP HA 1 33 VAL H 3.120 . 4.450 4.497 4.430 4.551 0.101 15 0 "[ . 1 . 2]" 1
212 1 31 ASP HA 1 33 VAL MG2 4.160 . 6.520 4.693 4.578 4.820 . 0 0 "[ . 1 . 2]" 1
213 1 31 ASP HA 1 34 ALA H 2.620 . 3.450 3.539 3.383 3.601 0.151 20 0 "[ . 1 . 2]" 1
214 1 31 ASP HA 1 34 ALA MB 2.950 . 4.100 2.645 2.427 2.789 . 0 0 "[ . 1 . 2]" 1
215 1 31 ASP QB 1 32 LYS HA 3.750 . 5.700 4.247 3.926 4.839 . 0 0 "[ . 1 . 2]" 1
216 1 31 ASP QB 1 34 ALA MB 4.600 . 7.400 4.266 3.804 4.412 . 0 0 "[ . 1 . 2]" 1
217 1 32 LYS H 1 32 LYS HB2 2.580 . 3.360 2.124 2.095 2.155 . 0 0 "[ . 1 . 2]" 1
218 1 32 LYS H 1 32 LYS QB 2.410 . 3.030 2.104 2.076 2.135 . 0 0 "[ . 1 . 2]" 1
219 1 32 LYS H 1 32 LYS HB3 2.580 . 3.360 3.419 3.355 3.456 0.096 8 0 "[ . 1 . 2]" 1
220 1 32 LYS H 1 32 LYS HD2 2.780 . 3.760 2.841 2.582 3.314 . 0 0 "[ . 1 . 2]" 1
221 1 32 LYS H 1 32 LYS QD 2.500 . 3.210 2.538 2.315 2.812 . 0 0 "[ . 1 . 2]" 1
222 1 32 LYS H 1 32 LYS HD3 2.780 . 3.760 2.924 2.384 3.317 . 0 0 "[ . 1 . 2]" 1
223 1 32 LYS H 1 32 LYS QE 4.090 . 6.380 4.599 4.405 4.762 . 0 0 "[ . 1 . 2]" 1
224 1 32 LYS H 1 32 LYS QG 3.470 . 5.140 3.683 3.589 3.803 . 0 0 "[ . 1 . 2]" 1
225 1 32 LYS H 1 33 VAL H 2.330 . 2.860 2.479 2.380 2.587 . 0 0 "[ . 1 . 2]" 1
226 1 32 LYS H 1 33 VAL MG1 3.880 . 5.960 4.113 4.015 4.242 . 0 0 "[ . 1 . 2]" 1
227 1 32 LYS H 1 33 VAL MG2 3.180 . 4.570 3.809 3.708 3.894 . 0 0 "[ . 1 . 2]" 1
228 1 32 LYS H 1 34 ALA H 2.750 . 3.700 3.711 3.621 3.765 0.065 11 0 "[ . 1 . 2]" 1
229 1 32 LYS H 1 34 ALA MB 3.880 . 5.960 4.497 4.432 4.570 . 0 0 "[ . 1 . 2]" 1
230 1 32 LYS HA 1 32 LYS HD2 2.930 . 4.070 2.297 2.065 2.454 . 0 0 "[ . 1 . 2]" 1
231 1 32 LYS HA 1 32 LYS QD 2.720 . 3.650 2.270 2.040 2.416 . 0 0 "[ . 1 . 2]" 1
232 1 32 LYS HA 1 32 LYS HD3 2.930 . 4.070 3.556 3.115 3.792 . 0 0 "[ . 1 . 2]" 1
233 1 32 LYS HA 1 34 ALA H 3.310 . 4.820 4.085 3.918 4.271 . 0 0 "[ . 1 . 2]" 1
234 1 32 LYS HA 1 35 SER HB2 3.000 . 4.200 4.194 3.949 4.278 0.078 14 0 "[ . 1 . 2]" 1
235 1 32 LYS HA 1 35 SER HB3 3.000 . 4.200 4.302 4.250 4.387 0.187 8 0 "[ . 1 . 2]" 1
236 1 32 LYS QB 1 32 LYS QD 2.430 . 3.060 2.363 2.309 2.411 . 0 0 "[ . 1 . 2]" 1
237 1 32 LYS QB 1 33 VAL H 2.730 . 3.660 2.780 2.637 2.928 . 0 0 "[ . 1 . 2]" 1
238 1 32 LYS QB 1 33 VAL MG1 3.670 . 5.550 3.147 3.021 3.352 . 0 0 "[ . 1 . 2]" 1
239 1 32 LYS QB 1 33 VAL MG2 3.640 . 5.480 4.109 3.972 4.271 . 0 0 "[ . 1 . 2]" 1
240 1 32 LYS HB2 1 32 LYS HD2 2.730 . 3.670 3.022 2.775 3.335 . 0 0 "[ . 1 . 2]" 1
241 1 32 LYS HB2 1 32 LYS HD3 2.730 . 3.670 2.558 2.464 2.630 . 0 0 "[ . 1 . 2]" 1
242 1 32 LYS HB2 1 33 VAL H 2.830 . 3.860 2.980 2.804 3.147 . 0 0 "[ . 1 . 2]" 1
243 1 32 LYS HB2 1 33 VAL MG1 3.750 . 5.710 3.583 3.421 3.815 . 0 0 "[ . 1 . 2]" 1
244 1 32 LYS HB3 1 32 LYS HD2 2.730 . 3.670 3.669 3.609 3.743 0.073 15 0 "[ . 1 . 2]" 1
245 1 32 LYS HB3 1 32 LYS HD3 2.730 . 3.670 3.721 3.652 3.768 0.098 13 0 "[ . 1 . 2]" 1
246 1 32 LYS HB3 1 33 VAL H 2.830 . 3.860 3.334 3.083 3.508 . 0 0 "[ . 1 . 2]" 1
247 1 32 LYS HB3 1 33 VAL MG1 3.750 . 5.710 3.494 3.311 3.715 . 0 0 "[ . 1 . 2]" 1
248 1 32 LYS QE 1 33 VAL H 4.090 . 6.380 6.211 6.102 6.351 . 0 0 "[ . 1 . 2]" 1
249 1 32 LYS QG 1 33 VAL H 4.090 . 6.380 4.609 4.503 4.697 . 0 0 "[ . 1 . 2]" 1
250 1 33 VAL H 1 33 VAL HB 2.810 . 3.830 3.692 3.676 3.708 . 0 0 "[ . 1 . 2]" 1
251 1 33 VAL H 1 33 VAL MG1 2.750 . 3.700 2.357 2.265 2.451 . 0 0 "[ . 1 . 2]" 1
252 1 33 VAL H 1 33 VAL MG2 2.610 . 3.420 2.079 2.017 2.118 . 0 0 "[ . 1 . 2]" 1
253 1 33 VAL H 1 34 ALA H 2.220 . 2.650 2.412 2.342 2.486 . 0 0 "[ . 1 . 2]" 1
254 1 33 VAL H 1 35 SER H 3.000 . 4.200 4.132 4.056 4.211 0.011 2 0 "[ . 1 . 2]" 1
255 1 33 VAL HA 1 33 VAL HB 2.380 . 2.960 2.431 2.414 2.448 . 0 0 "[ . 1 . 2]" 1
256 1 33 VAL HA 1 35 SER H 3.000 . 4.200 3.441 3.079 3.695 . 0 0 "[ . 1 . 2]" 1
257 1 33 VAL HB 1 34 ALA H 3.260 . 4.720 4.144 4.026 4.241 . 0 0 "[ . 1 . 2]" 1
258 1 33 VAL HB 1 36 GLU H 3.200 . 4.600 4.339 4.004 4.651 0.051 18 0 "[ . 1 . 2]" 1
259 1 33 VAL HB 1 36 GLU QB 3.370 . 4.950 3.891 2.984 4.987 0.037 16 0 "[ . 1 . 2]" 1
260 1 33 VAL HB 1 37 TYR QD 4.710 . 7.630 2.953 1.771 4.575 0.019 10 0 "[ . 1 . 2]" 1
261 1 33 VAL HB 1 37 TYR QE 3.720 . 5.650 2.754 2.267 3.474 . 0 0 "[ . 1 . 2]" 1
262 1 33 VAL MG1 1 34 ALA H 3.580 . 5.370 4.084 4.038 4.154 . 0 0 "[ . 1 . 2]" 1
263 1 33 VAL MG2 1 34 ALA H 3.300 . 4.810 2.649 2.488 2.804 . 0 0 "[ . 1 . 2]" 1
264 1 33 VAL MG2 1 34 ALA HA 4.160 . 6.520 3.338 3.187 3.533 . 0 0 "[ . 1 . 2]" 1
265 1 33 VAL MG2 1 37 TYR QD 5.220 . 8.650 3.428 2.501 3.880 . 0 0 "[ . 1 . 2]" 1
266 1 33 VAL MG2 1 37 TYR QE 4.620 . 7.440 3.518 1.834 4.075 . 0 0 "[ . 1 . 2]" 1
267 1 34 ALA H 1 34 ALA MB 2.620 . 3.450 2.243 2.228 2.252 . 0 0 "[ . 1 . 2]" 1
268 1 34 ALA H 1 35 SER H 2.560 . 3.330 2.618 2.528 2.687 . 0 0 "[ . 1 . 2]" 1
269 1 34 ALA HA 1 36 GLU H 3.030 . 4.260 3.943 3.557 4.275 0.015 20 0 "[ . 1 . 2]" 1
270 1 34 ALA HA 1 37 TYR H 2.830 . 3.860 3.429 2.896 3.713 . 0 0 "[ . 1 . 2]" 1
271 1 34 ALA HA 1 37 TYR QD 4.200 . 6.610 3.868 2.023 4.671 . 0 0 "[ . 1 . 2]" 1
272 1 34 ALA HA 1 88 TYR QD 3.970 . 6.140 4.046 3.132 5.282 . 0 0 "[ . 1 . 2]" 1
273 1 34 ALA MB 1 35 SER H 2.680 . 3.570 2.904 2.773 3.023 . 0 0 "[ . 1 . 2]" 1
274 1 34 ALA MB 1 36 GLU H 3.650 . 5.500 4.532 4.340 4.706 . 0 0 "[ . 1 . 2]" 1
275 1 34 ALA MB 1 37 TYR H 3.820 . 5.840 4.478 4.028 4.803 . 0 0 "[ . 1 . 2]" 1
276 1 35 SER H 1 35 SER HB2 2.580 . 3.360 2.615 2.535 2.708 . 0 0 "[ . 1 . 2]" 1
277 1 35 SER H 1 35 SER QB 2.470 . 3.150 2.239 2.190 2.317 . 0 0 "[ . 1 . 2]" 1
278 1 35 SER H 1 35 SER HB3 2.580 . 3.360 2.436 2.335 2.554 . 0 0 "[ . 1 . 2]" 1
279 1 35 SER H 1 36 GLU H 2.410 . 3.020 2.529 2.220 2.769 . 0 0 "[ . 1 . 2]" 1
280 1 35 SER H 1 37 TYR H 3.090 . 4.380 3.993 3.700 4.335 . 0 0 "[ . 1 . 2]" 1
281 1 35 SER HA 1 37 TYR H 3.120 . 4.450 3.938 3.608 4.329 . 0 0 "[ . 1 . 2]" 1
282 1 35 SER HB2 1 36 GLU H 3.310 . 4.820 4.066 3.964 4.237 . 0 0 "[ . 1 . 2]" 1
283 1 35 SER HB3 1 36 GLU H 3.310 . 4.820 2.907 2.663 3.322 . 0 0 "[ . 1 . 2]" 1
284 1 36 GLU H 1 36 GLU HB2 2.920 . 4.040 2.718 2.575 2.893 . 0 0 "[ . 1 . 2]" 1
285 1 36 GLU H 1 36 GLU HB3 2.920 . 4.040 3.710 3.613 3.800 . 0 0 "[ . 1 . 2]" 1
286 1 36 GLU H 1 36 GLU HG2 2.450 . 3.110 3.162 2.174 3.266 0.156 6 0 "[ . 1 . 2]" 1
287 1 36 GLU H 1 36 GLU HG3 2.350 . 2.900 2.446 2.073 3.148 0.248 20 0 "[ . 1 . 2]" 1
288 1 36 GLU H 1 37 TYR H 2.440 . 3.080 2.481 2.001 2.877 . 0 0 "[ . 1 . 2]" 1
289 1 36 GLU H 1 37 TYR HB2 3.040 . 4.290 3.975 3.698 4.286 . 0 0 "[ . 1 . 2]" 1
290 1 36 GLU H 1 37 TYR QD 3.970 . 6.140 3.362 3.006 4.590 . 0 0 "[ . 1 . 2]" 1
291 1 36 GLU HA 1 36 GLU HG2 2.470 . 3.140 2.660 2.440 2.814 . 0 0 "[ . 1 . 2]" 1
292 1 36 GLU HA 1 36 GLU HG3 2.790 . 3.790 3.463 3.283 3.834 0.044 20 0 "[ . 1 . 2]" 1
293 1 36 GLU HA 1 37 TYR H 2.590 . 3.390 3.080 2.769 3.323 . 0 0 "[ . 1 . 2]" 1
294 1 36 GLU HA 1 91 LYS HD2 2.720 . 3.640 2.675 1.834 3.749 0.109 15 0 "[ . 1 . 2]" 1
295 1 36 GLU HA 1 91 LYS HD3 2.700 . 3.610 3.374 2.580 3.635 0.025 1 0 "[ . 1 . 2]" 1
296 1 36 GLU QB 1 37 TYR QD 4.590 . 7.390 2.634 2.049 3.549 . 0 0 "[ . 1 . 2]" 1
297 1 36 GLU QB 1 37 TYR QE 4.460 . 7.120 3.343 2.701 4.697 . 0 0 "[ . 1 . 2]" 1
298 1 36 GLU HB2 1 36 GLU HG2 2.360 . 2.930 2.968 2.683 2.998 0.068 14 0 "[ . 1 . 2]" 1
299 1 36 GLU HB2 1 37 TYR QD 4.680 . 7.570 2.684 2.061 3.704 . 0 0 "[ . 1 . 2]" 1
300 1 36 GLU HB2 1 37 TYR QE 4.530 . 7.260 3.435 2.750 4.879 . 0 0 "[ . 1 . 2]" 1
301 1 36 GLU HB3 1 36 GLU HG2 2.360 . 2.930 2.548 2.434 2.924 . 0 0 "[ . 1 . 2]" 1
302 1 36 GLU HB3 1 37 TYR QD 4.680 . 7.570 3.988 3.363 4.782 . 0 0 "[ . 1 . 2]" 1
303 1 36 GLU HB3 1 37 TYR QE 4.530 . 7.260 4.645 3.931 6.127 . 0 0 "[ . 1 . 2]" 1
304 1 36 GLU HG2 1 37 TYR H 3.650 . 5.500 4.877 4.246 5.153 . 0 0 "[ . 1 . 2]" 1
305 1 36 GLU HG3 1 37 TYR H 3.380 . 4.970 4.657 4.278 5.049 0.079 16 0 "[ . 1 . 2]" 1
306 1 37 TYR H 1 37 TYR HB2 2.380 . 2.960 2.574 2.381 2.658 . 0 0 "[ . 1 . 2]" 1
307 1 37 TYR H 1 37 TYR HB3 2.750 . 3.700 3.689 3.479 3.771 0.071 17 0 "[ . 1 . 2]" 1
308 1 37 TYR H 1 38 THR H 3.650 . 5.500 4.433 4.372 4.477 . 0 0 "[ . 1 . 2]" 1
309 1 37 TYR H 1 91 LYS HD3 3.280 . 4.760 4.751 4.014 4.924 0.164 12 0 "[ . 1 . 2]" 1
310 1 37 TYR HA 1 38 THR H 2.270 . 2.740 2.502 2.395 2.736 . 0 0 "[ . 1 . 2]" 1
311 1 37 TYR HA 1 90 LYS HA 2.390 . 2.990 2.680 2.123 3.109 0.119 18 0 "[ . 1 . 2]" 1
312 1 37 TYR HA 1 91 LYS H 2.470 . 3.140 2.771 2.359 3.166 0.026 15 0 "[ . 1 . 2]" 1
313 1 37 TYR HA 1 91 LYS HB2 3.380 . 4.970 3.893 3.329 4.468 . 0 0 "[ . 1 . 2]" 1
314 1 37 TYR HA 1 91 LYS HG3 2.690 . 3.580 2.360 2.040 2.854 . 0 0 "[ . 1 . 2]" 1
315 1 37 TYR HB2 1 38 THR H 2.750 . 3.700 3.633 3.363 3.793 0.093 1 0 "[ . 1 . 2]" 1
316 1 37 TYR HB3 1 38 THR H 2.530 . 3.270 2.230 2.021 2.445 . 0 0 "[ . 1 . 2]" 1
317 1 37 TYR QD 1 38 THR H 4.460 . 7.130 3.487 2.997 3.876 . 0 0 "[ . 1 . 2]" 1
318 1 37 TYR QD 1 88 TYR QB 5.150 . 8.510 2.473 1.743 3.513 0.047 16 0 "[ . 1 . 2]" 1
319 1 37 TYR QD 1 90 LYS H 4.710 . 7.630 4.024 3.269 4.981 . 0 0 "[ . 1 . 2]" 1
320 1 37 TYR QD 1 90 LYS HA 4.000 . 6.200 2.887 1.757 3.482 0.043 12 0 "[ . 1 . 2]" 1
321 1 37 TYR QE 1 68 ASP HB2 4.300 . 6.800 3.289 1.812 5.335 . 0 0 "[ . 1 . 2]" 1
322 1 37 TYR QE 1 68 ASP HB3 4.300 . 6.800 2.747 1.768 5.440 0.032 19 0 "[ . 1 . 2]" 1
323 1 37 TYR QE 1 69 VAL HB 4.710 . 7.630 3.522 1.860 4.991 . 0 0 "[ . 1 . 2]" 1
324 1 37 TYR QE 1 69 VAL MG1 5.220 . 8.650 4.201 2.691 4.987 . 0 0 "[ . 1 . 2]" 1
325 1 37 TYR QE 1 69 VAL QG 4.690 . 7.580 2.078 1.788 2.680 0.012 19 0 "[ . 1 . 2]" 1
326 1 37 TYR QE 1 69 VAL MG2 5.220 . 8.650 2.093 1.789 2.691 0.001 19 0 "[ . 1 . 2]" 1
327 1 37 TYR QE 1 90 LYS H 4.710 . 7.630 4.034 3.286 5.445 . 0 0 "[ . 1 . 2]" 1
328 1 37 TYR QE 1 90 LYS HA 4.710 . 7.630 3.419 2.850 3.777 . 0 0 "[ . 1 . 2]" 1
329 1 37 TYR QE 1 90 LYS HB2 4.710 . 7.630 3.579 2.222 5.051 . 0 0 "[ . 1 . 2]" 1
330 1 37 TYR QE 1 90 LYS QB 4.380 . 6.970 3.255 2.209 4.622 . 0 0 "[ . 1 . 2]" 1
331 1 37 TYR QE 1 90 LYS HB3 4.710 . 7.630 4.285 2.614 5.365 . 0 0 "[ . 1 . 2]" 1
332 1 37 TYR QE 1 90 LYS QD 5.160 . 8.520 4.086 2.338 4.835 . 0 0 "[ . 1 . 2]" 1
333 1 37 TYR QE 1 90 LYS QE 5.160 . 8.520 3.963 1.989 5.791 . 0 0 "[ . 1 . 2]" 1
334 1 37 TYR QE 1 90 LYS HG2 4.710 . 7.630 4.246 1.960 5.068 . 0 0 "[ . 1 . 2]" 1
335 1 37 TYR QE 1 90 LYS HG3 4.710 . 7.630 3.489 2.128 5.393 . 0 0 "[ . 1 . 2]" 1
336 1 38 THR H 1 38 THR HB 2.480 . 3.170 2.802 2.682 2.933 . 0 0 "[ . 1 . 2]" 1
337 1 38 THR H 1 38 THR MG 2.990 . 4.190 3.923 3.874 3.979 . 0 0 "[ . 1 . 2]" 1
338 1 38 THR H 1 39 LYS H 3.570 . 5.340 4.302 4.018 4.451 . 0 0 "[ . 1 . 2]" 1
339 1 38 THR H 1 88 TYR HA 3.000 . 4.200 4.243 3.992 4.364 0.164 12 0 "[ . 1 . 2]" 1
340 1 38 THR H 1 88 TYR QB 3.220 . 4.640 3.169 2.839 3.613 . 0 0 "[ . 1 . 2]" 1
341 1 38 THR H 1 89 LYS HB2 3.490 . 5.190 4.626 3.653 5.289 0.099 9 0 "[ . 1 . 2]" 1
342 1 38 THR H 1 89 LYS QB 3.380 . 4.960 3.814 3.276 4.654 . 0 0 "[ . 1 . 2]" 1
343 1 38 THR H 1 89 LYS HB3 3.490 . 5.190 4.300 3.435 5.196 0.006 2 0 "[ . 1 . 2]" 1
344 1 38 THR H 1 89 LYS QG 4.070 . 6.350 4.390 3.129 5.262 . 0 0 "[ . 1 . 2]" 1
345 1 38 THR H 1 90 LYS HA 2.930 . 4.070 3.894 3.398 4.095 0.025 11 0 "[ . 1 . 2]" 1
346 1 38 THR H 1 91 LYS HG2 3.340 . 4.880 4.583 4.113 4.908 0.028 9 0 "[ . 1 . 2]" 1
347 1 38 THR H 1 91 LYS HG3 2.980 . 4.170 3.685 3.224 4.048 . 0 0 "[ . 1 . 2]" 1
348 1 38 THR HA 1 39 LYS H 2.250 . 2.710 2.243 2.129 2.526 . 0 0 "[ . 1 . 2]" 1
349 1 38 THR HB 1 39 LYS H 3.320 . 4.850 3.949 3.298 4.326 . 0 0 "[ . 1 . 2]" 1
350 1 38 THR HB 1 40 ILE MG 3.960 . 6.120 3.762 3.187 4.202 . 0 0 "[ . 1 . 2]" 1
351 1 38 THR HB 1 89 LYS H 3.260 . 4.720 3.649 3.036 3.998 . 0 0 "[ . 1 . 2]" 1
352 1 38 THR HB 1 89 LYS HB2 3.370 . 4.940 4.189 2.806 5.037 0.097 5 0 "[ . 1 . 2]" 1
353 1 38 THR HB 1 89 LYS QB 3.300 . 4.800 3.257 2.007 4.444 . 0 0 "[ . 1 . 2]" 1
354 1 38 THR HB 1 89 LYS HB3 3.370 . 4.940 3.760 2.015 4.962 0.022 2 0 "[ . 1 . 2]" 1
355 1 38 THR HB 1 89 LYS QG 3.780 . 5.760 3.713 2.192 5.075 . 0 0 "[ . 1 . 2]" 1
356 1 38 THR HB 1 91 LYS QE 4.090 . 6.380 4.846 4.206 6.150 . 0 0 "[ . 1 . 2]" 1
357 1 38 THR HB 1 91 LYS HG2 2.980 . 4.170 4.037 3.415 4.259 0.089 9 0 "[ . 1 . 2]" 1
358 1 38 THR HB 1 91 LYS HG3 3.110 . 4.420 4.280 3.853 4.469 0.049 8 0 "[ . 1 . 2]" 1
359 1 38 THR MG 1 39 LYS H 2.930 . 4.070 2.394 1.774 2.964 0.016 13 0 "[ . 1 . 2]" 1
360 1 39 LYS H 1 39 LYS HB2 2.420 . 3.050 2.729 2.433 3.096 0.046 13 0 "[ . 1 . 2]" 1
361 1 39 LYS H 1 39 LYS HB3 2.390 . 2.990 2.495 2.341 2.815 . 0 0 "[ . 1 . 2]" 1
362 1 39 LYS H 1 39 LYS QD 4.000 . 6.200 4.618 4.308 5.089 . 0 0 "[ . 1 . 2]" 1
363 1 39 LYS H 1 39 LYS HG2 3.350 . 4.910 4.487 4.331 4.636 . 0 0 "[ . 1 . 2]" 1
364 1 39 LYS H 1 39 LYS QG 3.210 . 4.620 3.981 3.910 4.082 . 0 0 "[ . 1 . 2]" 1
365 1 39 LYS H 1 39 LYS HG3 3.350 . 4.910 4.459 4.297 4.652 . 0 0 "[ . 1 . 2]" 1
366 1 39 LYS H 1 40 ILE H 3.170 . 4.540 4.429 4.209 4.568 0.028 17 0 "[ . 1 . 2]" 1
367 1 39 LYS H 1 40 ILE MG 3.570 . 5.340 4.754 4.362 5.098 . 0 0 "[ . 1 . 2]" 1
368 1 39 LYS H 1 89 LYS QG 4.090 . 6.380 6.192 4.815 6.720 0.340 14 0 "[ . 1 . 2]" 1
369 1 39 LYS HA 1 39 LYS QD 3.980 . 6.170 3.473 2.325 4.270 . 0 0 "[ . 1 . 2]" 1
370 1 39 LYS HA 1 39 LYS QE 4.090 . 6.380 4.227 3.275 5.146 . 0 0 "[ . 1 . 2]" 1
371 1 39 LYS HA 1 39 LYS HG2 2.810 . 3.830 3.394 2.855 3.884 0.054 3 0 "[ . 1 . 2]" 1
372 1 39 LYS HA 1 39 LYS QG 2.600 . 3.400 2.558 2.350 2.908 . 0 0 "[ . 1 . 2]" 1
373 1 39 LYS HA 1 39 LYS HG3 2.810 . 3.830 2.660 2.435 3.007 . 0 0 "[ . 1 . 2]" 1
374 1 39 LYS HA 1 40 ILE H 2.310 . 2.830 2.149 2.068 2.189 . 0 0 "[ . 1 . 2]" 1
375 1 39 LYS HA 1 41 GLY H 3.040 . 4.290 3.489 3.250 3.699 . 0 0 "[ . 1 . 2]" 1
376 1 39 LYS HA 1 88 TYR HA 2.550 . 3.300 2.494 2.018 2.986 . 0 0 "[ . 1 . 2]" 1
377 1 39 LYS HA 1 89 LYS H 3.180 . 4.570 3.607 3.153 3.989 . 0 0 "[ . 1 . 2]" 1
378 1 39 LYS HB2 1 40 ILE H 3.620 . 5.440 4.275 4.035 4.555 . 0 0 "[ . 1 . 2]" 1
379 1 39 LYS HB2 1 41 GLY H 3.400 . 5.000 4.647 4.413 5.008 0.008 5 0 "[ . 1 . 2]" 1
380 1 39 LYS HB3 1 39 LYS QE 4.090 . 6.380 3.231 1.962 4.168 . 0 0 "[ . 1 . 2]" 1
381 1 39 LYS HB3 1 40 ILE H 3.290 . 4.790 4.243 4.060 4.420 . 0 0 "[ . 1 . 2]" 1
382 1 39 LYS QD 1 40 ILE H 4.090 . 6.380 4.294 2.891 5.226 . 0 0 "[ . 1 . 2]" 1
383 1 39 LYS QD 1 41 GLY H 4.090 . 6.380 3.568 2.536 4.464 . 0 0 "[ . 1 . 2]" 1
384 1 39 LYS QE 1 42 THR MG 4.490 . 7.180 5.230 3.658 6.543 . 0 0 "[ . 1 . 2]" 1
385 1 39 LYS QG 1 40 ILE H 2.960 . 4.120 2.861 2.315 3.320 . 0 0 "[ . 1 . 2]" 1
386 1 39 LYS QG 1 41 GLY H 2.740 . 3.690 2.073 1.781 2.473 0.009 10 0 "[ . 1 . 2]" 1
387 1 39 LYS HG2 1 40 ILE H 3.180 . 4.570 3.750 2.813 4.616 0.046 1 0 "[ . 1 . 2]" 1
388 1 39 LYS HG2 1 41 GLY H 2.970 . 4.140 2.779 1.805 3.839 . 0 0 "[ . 1 . 2]" 1
389 1 39 LYS HG3 1 40 ILE H 3.180 . 4.570 3.132 2.343 4.008 . 0 0 "[ . 1 . 2]" 1
390 1 39 LYS HG3 1 41 GLY H 2.970 . 4.140 2.543 1.787 3.715 0.013 10 0 "[ . 1 . 2]" 1
391 1 40 ILE H 1 40 ILE HB 2.840 . 3.890 3.681 3.590 3.773 . 0 0 "[ . 1 . 2]" 1
392 1 40 ILE H 1 40 ILE MD 3.040 . 4.290 3.652 3.500 3.875 . 0 0 "[ . 1 . 2]" 1
393 1 40 ILE H 1 40 ILE HG12 2.930 . 4.070 1.952 1.756 2.323 0.034 18 0 "[ . 1 . 2]" 1
394 1 40 ILE H 1 40 ILE QG 2.780 . 3.770 1.913 1.735 2.186 0.055 18 0 "[ . 1 . 2]" 1
395 1 40 ILE H 1 40 ILE HG13 2.930 . 4.070 2.808 2.664 2.925 . 0 0 "[ . 1 . 2]" 1
396 1 40 ILE H 1 40 ILE MG 3.070 . 4.350 2.795 2.516 3.065 . 0 0 "[ . 1 . 2]" 1
397 1 40 ILE H 1 41 GLY H 2.410 . 3.020 2.203 1.998 2.442 . 0 0 "[ . 1 . 2]" 1
398 1 40 ILE H 1 87 ILE QG 3.820 . 5.850 3.422 3.139 3.657 . 0 0 "[ . 1 . 2]" 1
399 1 40 ILE H 1 88 TYR HA 2.550 . 3.300 3.060 2.777 3.318 0.018 18 0 "[ . 1 . 2]" 1
400 1 40 ILE HA 1 40 ILE QG 2.820 . 3.850 3.304 3.292 3.316 . 0 0 "[ . 1 . 2]" 1
401 1 40 ILE HB 1 41 GLY H 2.980 . 4.170 4.115 3.898 4.282 0.112 10 0 "[ . 1 . 2]" 1
402 1 40 ILE HB 1 65 LYS QG 3.790 . 5.790 4.124 2.978 5.814 0.024 1 0 "[ . 1 . 2]" 1
403 1 40 ILE HB 1 87 ILE MD 3.910 . 6.020 4.352 3.964 4.670 . 0 0 "[ . 1 . 2]" 1
404 1 40 ILE MD 1 41 GLY H 3.570 . 5.340 4.514 4.093 4.868 . 0 0 "[ . 1 . 2]" 1
405 1 40 ILE MD 1 65 LYS H 3.830 . 5.870 5.162 4.532 5.606 . 0 0 "[ . 1 . 2]" 1
406 1 40 ILE MD 1 65 LYS HA 4.160 . 6.520 4.877 4.062 5.570 . 0 0 "[ . 1 . 2]" 1
407 1 40 ILE MD 1 65 LYS HB2 3.710 . 5.620 4.325 3.553 5.030 . 0 0 "[ . 1 . 2]" 1
408 1 40 ILE MD 1 65 LYS QB 3.600 . 5.400 3.063 2.284 3.590 . 0 0 "[ . 1 . 2]" 1
409 1 40 ILE MD 1 65 LYS HB3 3.710 . 5.620 3.138 2.311 3.676 . 0 0 "[ . 1 . 2]" 1
410 1 40 ILE MD 1 65 LYS QG 4.290 . 6.780 2.636 1.778 4.546 0.022 18 0 "[ . 1 . 2]" 1
411 1 40 ILE MD 1 67 ALA H 3.090 . 4.380 3.658 3.171 4.394 0.014 2 0 "[ . 1 . 2]" 1
412 1 40 ILE MD 1 67 ALA HA 3.200 . 4.600 2.650 1.980 3.034 . 0 0 "[ . 1 . 2]" 1
413 1 40 ILE MD 1 67 ALA MB 3.770 . 5.740 2.107 1.819 2.772 . 0 0 "[ . 1 . 2]" 1
414 1 40 ILE MD 1 68 ASP H 3.170 . 4.540 4.221 3.499 4.584 0.044 4 0 "[ . 1 . 2]" 1
415 1 40 ILE MD 1 88 TYR HA 4.160 . 6.520 4.295 3.812 4.675 . 0 0 "[ . 1 . 2]" 1
416 1 40 ILE MD 1 88 TYR QB 4.410 . 7.030 5.437 4.923 5.822 . 0 0 "[ . 1 . 2]" 1
417 1 40 ILE MD 1 89 LYS H 3.240 . 4.690 4.275 3.656 4.734 0.044 8 0 "[ . 1 . 2]" 1
418 1 40 ILE MD 1 89 LYS HA 4.160 . 6.520 4.191 3.460 4.715 . 0 0 "[ . 1 . 2]" 1
419 1 40 ILE MD 1 89 LYS HB2 3.740 . 5.680 3.252 1.824 4.315 . 0 0 "[ . 1 . 2]" 1
420 1 40 ILE MD 1 89 LYS HB3 3.740 . 5.680 3.645 2.354 4.799 . 0 0 "[ . 1 . 2]" 1
421 1 40 ILE QG 1 41 GLY H 2.920 . 4.050 2.853 2.395 3.273 . 0 0 "[ . 1 . 2]" 1
422 1 40 ILE QG 1 87 ILE MD 3.820 . 5.850 2.560 2.313 2.730 . 0 0 "[ . 1 . 2]" 1
423 1 40 ILE QG 1 87 ILE QG 4.160 . 6.520 2.117 1.777 2.483 0.023 10 0 "[ . 1 . 2]" 1
424 1 40 ILE QG 1 88 TYR HA 3.170 . 4.550 3.204 2.637 3.612 . 0 0 "[ . 1 . 2]" 1
425 1 40 ILE QG 1 89 LYS H 3.980 . 6.160 3.787 3.249 4.346 . 0 0 "[ . 1 . 2]" 1
426 1 40 ILE HG12 1 41 GLY H 3.140 . 4.480 3.425 2.990 4.060 . 0 0 "[ . 1 . 2]" 1
427 1 40 ILE HG13 1 41 GLY H 3.140 . 4.480 3.056 2.520 3.453 . 0 0 "[ . 1 . 2]" 1
428 1 40 ILE MG 1 41 GLY H 3.680 . 5.560 4.233 4.124 4.327 . 0 0 "[ . 1 . 2]" 1
429 1 40 ILE MG 1 88 TYR HA 4.160 . 6.520 4.086 3.491 4.714 . 0 0 "[ . 1 . 2]" 1
430 1 40 ILE MG 1 89 LYS H 3.040 . 4.290 3.449 2.646 4.166 . 0 0 "[ . 1 . 2]" 1
431 1 40 ILE MG 1 89 LYS HB2 3.770 . 5.740 2.839 2.276 4.123 . 0 0 "[ . 1 . 2]" 1
432 1 40 ILE MG 1 89 LYS HB3 3.770 . 5.740 2.930 2.238 3.949 . 0 0 "[ . 1 . 2]" 1
433 1 41 GLY H 1 42 THR H 3.260 . 4.720 4.336 4.269 4.404 . 0 0 "[ . 1 . 2]" 1
434 1 41 GLY H 1 87 ILE H 3.210 . 4.630 4.378 3.938 4.699 0.069 12 0 "[ . 1 . 2]" 1
435 1 41 GLY H 1 87 ILE MD 3.660 . 5.530 4.507 3.990 5.030 . 0 0 "[ . 1 . 2]" 1
436 1 41 GLY H 1 87 ILE HG12 3.230 . 4.660 4.208 3.783 4.667 0.007 16 0 "[ . 1 . 2]" 1
437 1 41 GLY H 1 87 ILE QG 2.960 . 4.130 3.476 3.151 3.937 . 0 0 "[ . 1 . 2]" 1
438 1 41 GLY H 1 87 ILE HG13 3.230 . 4.660 3.709 3.328 4.275 . 0 0 "[ . 1 . 2]" 1
439 1 41 GLY QA 1 42 THR H 2.250 . 2.710 2.253 2.231 2.278 . 0 0 "[ . 1 . 2]" 1
440 1 41 GLY QA 1 87 ILE MD 4.540 . 7.280 4.358 4.164 4.735 . 0 0 "[ . 1 . 2]" 1
441 1 41 GLY HA2 1 42 THR H 2.390 . 2.990 2.432 2.354 2.527 . 0 0 "[ . 1 . 2]" 1
442 1 41 GLY HA3 1 42 THR H 2.390 . 2.990 2.671 2.536 2.775 . 0 0 "[ . 1 . 2]" 1
443 1 42 THR H 1 42 THR HB 2.450 . 3.110 2.716 2.668 2.788 . 0 0 "[ . 1 . 2]" 1
444 1 42 THR H 1 42 THR MG 2.990 . 4.190 3.849 3.816 3.859 . 0 0 "[ . 1 . 2]" 1
445 1 42 THR H 1 43 ILE HA 3.650 . 5.500 5.040 4.983 5.137 . 0 0 "[ . 1 . 2]" 1
446 1 42 THR H 1 43 ILE MG 3.350 . 4.910 4.671 4.473 4.876 . 0 0 "[ . 1 . 2]" 1
447 1 42 THR H 1 87 ILE MD 4.160 . 6.520 5.453 5.133 5.899 . 0 0 "[ . 1 . 2]" 1
448 1 42 THR H 1 87 ILE QG 4.040 . 6.290 4.912 4.743 5.170 . 0 0 "[ . 1 . 2]" 1
449 1 42 THR HA 1 43 ILE H 2.280 . 2.770 2.291 2.259 2.345 . 0 0 "[ . 1 . 2]" 1
450 1 42 THR HA 1 43 ILE QG 3.700 . 5.600 3.737 3.617 3.846 . 0 0 "[ . 1 . 2]" 1
451 1 42 THR HA 1 43 ILE MG 3.890 . 5.990 3.655 3.478 3.812 . 0 0 "[ . 1 . 2]" 1
452 1 42 THR HA 1 87 ILE H 2.920 . 4.040 2.998 2.729 3.311 . 0 0 "[ . 1 . 2]" 1
453 1 42 THR HA 1 87 ILE MD 4.160 . 6.520 4.417 4.028 4.773 . 0 0 "[ . 1 . 2]" 1
454 1 42 THR HA 1 87 ILE QG 3.560 . 5.330 3.295 3.041 3.649 . 0 0 "[ . 1 . 2]" 1
455 1 42 THR HB 1 43 ILE H 2.640 . 3.480 3.612 3.554 3.711 0.231 1 0 "[ . 1 . 2]" 1
456 1 42 THR HB 1 43 ILE HA 3.650 . 5.500 4.437 4.324 4.638 . 0 0 "[ . 1 . 2]" 1
457 1 42 THR HB 1 84 THR MG 3.850 . 5.900 4.480 3.844 5.338 . 0 0 "[ . 1 . 2]" 1
458 1 42 THR MG 1 43 ILE H 2.760 . 3.730 2.114 2.026 2.249 . 0 0 "[ . 1 . 2]" 1
459 1 42 THR MG 1 43 ILE HA 3.580 . 5.370 3.862 3.743 4.031 . 0 0 "[ . 1 . 2]" 1
460 1 42 THR MG 1 44 SER HB2 4.160 . 6.520 4.771 3.834 5.799 . 0 0 "[ . 1 . 2]" 1
461 1 42 THR MG 1 84 THR HB 3.520 . 5.250 2.966 2.025 4.349 . 0 0 "[ . 1 . 2]" 1
462 1 42 THR MG 1 85 ALA H 2.850 . 3.910 2.824 2.368 3.119 . 0 0 "[ . 1 . 2]" 1
463 1 42 THR MG 1 86 ASP HA 3.520 . 5.250 2.240 1.877 2.646 . 0 0 "[ . 1 . 2]" 1
464 1 43 ILE H 1 43 ILE HB 2.930 . 4.070 3.804 3.761 3.875 . 0 0 "[ . 1 . 2]" 1
465 1 43 ILE H 1 43 ILE MD 3.340 . 4.880 3.819 3.720 3.985 . 0 0 "[ . 1 . 2]" 1
466 1 43 ILE H 1 43 ILE HG12 2.550 . 3.300 2.146 2.022 2.370 . 0 0 "[ . 1 . 2]" 1
467 1 43 ILE H 1 43 ILE QG 2.360 . 2.920 2.104 1.993 2.301 . 0 0 "[ . 1 . 2]" 1
468 1 43 ILE H 1 43 ILE HG13 2.550 . 3.300 3.048 2.961 3.116 . 0 0 "[ . 1 . 2]" 1
469 1 43 ILE H 1 43 ILE MG 2.900 . 4.010 2.918 2.840 2.999 . 0 0 "[ . 1 . 2]" 1
470 1 43 ILE H 1 44 SER H 3.650 . 5.500 4.467 4.428 4.509 . 0 0 "[ . 1 . 2]" 1
471 1 43 ILE H 1 85 ALA H 2.560 . 3.330 2.994 2.740 3.155 . 0 0 "[ . 1 . 2]" 1
472 1 43 ILE H 1 85 ALA MB 3.120 . 4.440 3.642 3.514 3.761 . 0 0 "[ . 1 . 2]" 1
473 1 43 ILE H 1 86 ASP HA 3.030 . 4.260 3.364 3.136 3.870 . 0 0 "[ . 1 . 2]" 1
474 1 43 ILE H 1 87 ILE QG 3.440 . 5.080 4.160 3.855 4.610 . 0 0 "[ . 1 . 2]" 1
475 1 43 ILE HA 1 44 SER H 2.220 . 2.650 2.446 2.398 2.493 . 0 0 "[ . 1 . 2]" 1
476 1 43 ILE HA 1 44 SER HB2 3.650 . 5.500 4.745 4.002 5.554 0.054 9 0 "[ . 1 . 2]" 1
477 1 43 ILE HA 1 44 SER HB3 3.650 . 5.500 4.531 4.369 4.739 . 0 0 "[ . 1 . 2]" 1
478 1 43 ILE HB 1 44 SER H 2.280 . 2.770 2.368 2.324 2.444 . 0 0 "[ . 1 . 2]" 1
479 1 43 ILE HB 1 58 LEU MD2 4.030 . 6.270 2.752 2.132 3.357 . 0 0 "[ . 1 . 2]" 1
480 1 43 ILE MD 1 44 SER H 3.240 . 4.690 4.277 4.113 4.409 . 0 0 "[ . 1 . 2]" 1
481 1 43 ILE MD 1 58 LEU HA 3.320 . 4.850 2.467 2.224 2.745 . 0 0 "[ . 1 . 2]" 1
482 1 43 ILE MD 1 58 LEU HB3 3.090 . 4.380 2.447 2.063 2.893 . 0 0 "[ . 1 . 2]" 1
483 1 43 ILE MD 1 58 LEU MD2 3.950 . 6.110 2.213 1.890 2.488 . 0 0 "[ . 1 . 2]" 1
484 1 43 ILE MD 1 61 LYS H 3.270 . 4.750 4.414 3.905 4.686 . 0 0 "[ . 1 . 2]" 1
485 1 43 ILE MD 1 61 LYS HA 3.890 . 5.990 5.263 4.594 5.766 . 0 0 "[ . 1 . 2]" 1
486 1 43 ILE MD 1 61 LYS QB 4.060 . 6.320 2.976 2.404 3.552 . 0 0 "[ . 1 . 2]" 1
487 1 43 ILE MD 1 62 ALA H 3.000 . 4.200 3.022 2.755 3.301 . 0 0 "[ . 1 . 2]" 1
488 1 43 ILE MD 1 62 ALA HA 3.710 . 5.620 3.165 2.673 3.668 . 0 0 "[ . 1 . 2]" 1
489 1 43 ILE QG 1 44 SER H 3.010 . 4.220 3.499 3.395 3.571 . 0 0 "[ . 1 . 2]" 1
490 1 43 ILE QG 1 44 SER HA 3.510 . 5.230 3.692 3.430 3.883 . 0 0 "[ . 1 . 2]" 1
491 1 43 ILE QG 1 58 LEU MD2 3.430 . 5.070 2.067 1.772 2.414 0.018 18 0 "[ . 1 . 2]" 1
492 1 43 ILE QG 1 85 ALA H 3.980 . 6.160 2.688 2.474 2.852 . 0 0 "[ . 1 . 2]" 1
493 1 43 ILE QG 1 87 ILE MD 4.240 . 6.690 3.579 3.043 4.213 . 0 0 "[ . 1 . 2]" 1
494 1 43 ILE HG12 1 44 SER H 3.180 . 4.570 4.614 4.580 4.644 0.074 18 0 "[ . 1 . 2]" 1
495 1 43 ILE HG13 1 44 SER H 3.180 . 4.570 3.625 3.499 3.711 . 0 0 "[ . 1 . 2]" 1
496 1 43 ILE MG 1 44 SER H 2.980 . 4.160 3.652 3.555 3.721 . 0 0 "[ . 1 . 2]" 1
497 1 43 ILE MG 1 62 ALA H 2.930 . 4.070 4.140 4.044 4.211 0.141 11 0 "[ . 1 . 2]" 1
498 1 43 ILE MG 1 62 ALA HA 3.230 . 4.660 3.440 3.093 3.880 . 0 0 "[ . 1 . 2]" 1
499 1 43 ILE MG 1 65 LYS QD 4.260 . 6.720 3.993 2.560 5.755 . 0 0 "[ . 1 . 2]" 1
500 1 43 ILE MG 1 65 LYS QE 4.490 . 7.180 4.127 2.987 5.852 . 0 0 "[ . 1 . 2]" 1
501 1 43 ILE MG 1 85 ALA H 3.350 . 4.910 4.908 4.761 5.005 0.095 13 0 "[ . 1 . 2]" 1
502 1 44 SER H 1 44 SER HB2 2.700 . 3.610 3.500 3.199 3.799 0.189 8 0 "[ . 1 . 2]" 1
503 1 44 SER H 1 44 SER HB3 2.690 . 3.580 3.234 2.918 3.641 0.061 8 0 "[ . 1 . 2]" 1
504 1 44 SER H 1 58 LEU MD2 3.320 . 4.840 3.182 2.844 3.510 . 0 0 "[ . 1 . 2]" 1
505 1 44 SER H 1 84 THR HA 3.650 . 5.500 4.587 4.396 4.745 . 0 0 "[ . 1 . 2]" 1
506 1 44 SER H 1 84 THR MG 3.630 . 5.460 4.648 4.276 5.072 . 0 0 "[ . 1 . 2]" 1
507 1 44 SER HA 1 45 THR H 2.220 . 2.650 2.455 2.304 2.563 . 0 0 "[ . 1 . 2]" 1
508 1 44 SER HA 1 58 LEU MD2 3.580 . 5.370 2.917 2.239 3.560 . 0 0 "[ . 1 . 2]" 1
509 1 44 SER HA 1 84 THR HA 2.420 . 3.050 1.993 1.775 2.259 0.015 17 0 "[ . 1 . 2]" 1
510 1 44 SER HA 1 84 THR HB 3.620 . 5.440 4.288 3.552 5.188 . 0 0 "[ . 1 . 2]" 1
511 1 44 SER HA 1 84 THR MG 3.880 . 5.960 2.952 2.454 3.351 . 0 0 "[ . 1 . 2]" 1
512 1 44 SER HA 1 85 ALA H 2.670 . 3.550 3.299 2.999 3.623 0.073 19 0 "[ . 1 . 2]" 1
513 1 44 SER HB2 1 45 THR H 2.860 . 3.920 3.102 2.069 3.965 0.045 13 0 "[ . 1 . 2]" 1
514 1 44 SER HB2 1 58 LEU MD2 4.160 . 6.520 4.735 4.208 5.124 . 0 0 "[ . 1 . 2]" 1
515 1 44 SER HB2 1 84 THR HA 2.730 . 3.670 3.571 3.054 3.723 0.053 1 0 "[ . 1 . 2]" 1
516 1 44 SER HB2 1 84 THR MG 3.550 . 5.310 2.610 1.776 3.709 0.014 16 0 "[ . 1 . 2]" 1
517 1 44 SER HB3 1 45 THR H 2.580 . 3.360 3.384 3.192 3.502 0.142 9 0 "[ . 1 . 2]" 1
518 1 44 SER HB3 1 84 THR HA 3.260 . 4.720 3.789 2.472 4.772 0.052 19 0 "[ . 1 . 2]" 1
519 1 44 SER HB3 1 84 THR MG 3.570 . 5.340 2.831 1.742 4.449 0.058 7 0 "[ . 1 . 2]" 1
520 1 45 THR H 1 45 THR HB 2.870 . 3.950 3.596 2.717 3.822 . 0 0 "[ . 1 . 2]" 1
521 1 45 THR H 1 45 THR MG 2.650 . 3.510 3.107 2.444 3.723 0.213 13 0 "[ . 1 . 2]" 1
522 1 45 THR H 1 46 THR H 3.650 . 5.500 4.328 4.020 4.550 . 0 0 "[ . 1 . 2]" 1
523 1 45 THR H 1 58 LEU MD2 2.930 . 4.070 3.572 2.584 4.115 0.045 2 0 "[ . 1 . 2]" 1
524 1 45 THR H 1 84 THR HA 2.920 . 4.040 3.644 3.089 4.120 0.080 19 0 "[ . 1 . 2]" 1
525 1 45 THR HA 1 46 THR H 2.360 . 2.930 2.238 2.138 2.642 . 0 0 "[ . 1 . 2]" 1
526 1 45 THR HA 1 58 LEU MD2 4.160 . 6.520 3.617 2.936 4.306 . 0 0 "[ . 1 . 2]" 1
527 1 45 THR HB 1 46 THR H 2.670 . 3.550 3.331 2.573 3.755 0.205 16 0 "[ . 1 . 2]" 1
528 1 45 THR HB 1 49 MET QG 4.090 . 6.380 5.192 2.671 6.435 0.055 7 0 "[ . 1 . 2]" 1
529 1 45 THR HB 1 58 LEU MD2 3.610 . 5.430 4.120 2.377 4.635 . 0 0 "[ . 1 . 2]" 1
530 1 45 THR HB 1 58 LEU HG 3.480 . 5.160 4.649 3.192 5.197 0.037 1 0 "[ . 1 . 2]" 1
531 1 45 THR MG 1 46 THR H 3.380 . 4.970 3.502 2.268 4.097 . 0 0 "[ . 1 . 2]" 1
532 1 45 THR MG 1 49 MET QG 4.600 . 7.400 4.626 3.184 5.554 . 0 0 "[ . 1 . 2]" 1
533 1 45 THR MG 1 54 ALA HA 3.710 . 5.620 3.172 1.860 4.287 . 0 0 "[ . 1 . 2]" 1
534 1 45 THR MG 1 57 ASP HB2 4.160 . 6.520 4.693 3.061 5.590 . 0 0 "[ . 1 . 2]" 1
535 1 45 THR MG 1 57 ASP QB 3.890 . 5.990 3.335 1.897 4.117 . 0 0 "[ . 1 . 2]" 1
536 1 45 THR MG 1 57 ASP HB3 4.160 . 6.520 3.417 1.916 4.238 . 0 0 "[ . 1 . 2]" 1
537 1 45 THR MG 1 58 LEU H 3.290 . 4.780 3.965 3.062 4.804 0.024 16 0 "[ . 1 . 2]" 1
538 1 45 THR MG 1 58 LEU MD1 4.670 . 7.540 2.405 1.799 3.814 0.001 1 0 "[ . 1 . 2]" 1
539 1 45 THR MG 1 58 LEU HG 3.270 . 4.750 2.369 1.803 3.240 . 0 0 "[ . 1 . 2]" 1
540 1 45 THR MG 1 83 GLY H 3.260 . 4.720 4.047 2.275 4.797 0.077 8 0 "[ . 1 . 2]" 1
541 1 45 THR MG 1 83 GLY HA2 4.160 . 6.520 5.413 3.526 6.543 0.023 2 0 "[ . 1 . 2]" 1
542 1 45 THR MG 1 83 GLY QA 3.840 . 5.880 4.116 2.116 5.474 . 0 0 "[ . 1 . 2]" 1
543 1 45 THR MG 1 83 GLY HA3 4.160 . 6.520 4.288 2.133 5.870 . 0 0 "[ . 1 . 2]" 1
544 1 46 THR H 1 46 THR HB 2.670 . 3.550 2.982 2.593 3.564 0.014 7 0 "[ . 1 . 2]" 1
545 1 46 THR H 1 46 THR MG 3.290 . 4.780 3.655 2.212 4.024 . 0 0 "[ . 1 . 2]" 1
546 1 46 THR H 1 47 GLY H 3.230 . 4.660 4.156 3.691 4.563 . 0 0 "[ . 1 . 2]" 1
547 1 46 THR HA 1 47 GLY H 2.390 . 2.990 2.188 2.080 2.399 . 0 0 "[ . 1 . 2]" 1
548 1 46 THR HB 1 47 GLY H 2.980 . 4.170 4.128 3.855 4.369 0.199 4 0 "[ . 1 . 2]" 1
549 1 46 THR MG 1 47 GLY H 2.960 . 4.130 2.978 2.314 3.756 . 0 0 "[ . 1 . 2]" 1
550 1 46 THR MG 1 48 GLU H 3.770 . 5.740 5.196 1.988 5.867 0.127 13 0 "[ . 1 . 2]" 1
551 1 47 GLY H 1 48 GLU H 2.830 . 3.860 3.509 1.767 4.104 0.244 1 0 "[ . 1 . 2]" 1
552 1 47 GLY HA2 1 48 GLU H 2.520 . 3.240 3.171 2.128 3.411 0.171 3 0 "[ . 1 . 2]" 1
553 1 47 GLY HA3 1 48 GLU H 2.480 . 3.170 2.454 2.069 3.235 0.065 14 0 "[ . 1 . 2]" 1
554 1 48 GLU H 1 48 GLU HG2 2.730 . 3.670 2.881 2.064 3.788 0.118 9 0 "[ . 1 . 2]" 1
555 1 48 GLU H 1 48 GLU QG 2.650 . 3.500 2.500 2.017 2.977 . 0 0 "[ . 1 . 2]" 1
556 1 48 GLU H 1 48 GLU HG3 2.730 . 3.670 3.121 2.306 3.677 0.007 5 0 "[ . 1 . 2]" 1
557 1 48 GLU H 1 49 MET QG 4.090 . 6.380 3.184 2.406 4.271 . 0 0 "[ . 1 . 2]" 1
558 1 48 GLU HA 1 48 GLU HG2 2.810 . 3.830 3.327 2.475 3.764 . 0 0 "[ . 1 . 2]" 1
559 1 48 GLU HA 1 48 GLU HG3 2.810 . 3.830 3.546 2.523 3.946 0.116 16 0 "[ . 1 . 2]" 1
560 1 48 GLU HA 1 49 MET H 2.250 . 2.710 2.290 2.112 2.825 0.115 2 0 "[ . 1 . 2]" 1
561 1 48 GLU HA 1 49 MET QG 4.090 . 6.380 4.181 3.703 4.745 . 0 0 "[ . 1 . 2]" 1
562 1 48 GLU QG 1 49 MET H 4.090 . 6.380 4.309 3.782 4.492 . 0 0 "[ . 1 . 2]" 1
563 1 49 MET H 1 49 MET QB 2.740 . 3.690 2.641 2.439 2.815 . 0 0 "[ . 1 . 2]" 1
564 1 49 MET H 1 49 MET QG 3.270 . 4.740 2.970 2.156 3.438 . 0 0 "[ . 1 . 2]" 1
565 1 49 MET H 1 50 SER H 3.280 . 4.760 4.399 4.341 4.554 . 0 0 "[ . 1 . 2]" 1
566 1 49 MET H 1 54 ALA MB 3.400 . 5.000 4.219 3.028 5.020 0.020 15 0 "[ . 1 . 2]" 1
567 1 49 MET HA 1 50 SER H 2.470 . 3.140 2.564 2.380 2.761 . 0 0 "[ . 1 . 2]" 1
568 1 49 MET QB 1 53 ASP QB 3.630 . 5.460 2.963 2.005 3.940 . 0 0 "[ . 1 . 2]" 1
569 1 49 MET QB 1 54 ALA H 3.170 . 4.540 3.511 3.193 3.967 . 0 0 "[ . 1 . 2]" 1
570 1 49 MET QB 1 54 ALA HA 3.220 . 4.650 3.644 3.032 4.483 . 0 0 "[ . 1 . 2]" 1
571 1 49 MET QB 1 54 ALA MB 3.720 . 5.650 2.481 1.783 3.247 0.007 4 0 "[ . 1 . 2]" 1
572 1 49 MET HB2 1 50 SER H 2.690 . 3.580 3.332 2.754 3.625 0.045 16 0 "[ . 1 . 2]" 1
573 1 49 MET HB2 1 53 ASP QB 3.860 . 5.920 4.096 2.784 5.411 . 0 0 "[ . 1 . 2]" 1
574 1 49 MET HB2 1 54 ALA H 3.280 . 4.760 4.049 3.408 4.700 . 0 0 "[ . 1 . 2]" 1
575 1 49 MET HB2 1 54 ALA HA 3.480 . 5.160 4.051 3.110 4.970 . 0 0 "[ . 1 . 2]" 1
576 1 49 MET HB2 1 54 ALA MB 3.970 . 6.150 2.606 1.804 3.391 . 0 0 "[ . 1 . 2]" 1
577 1 49 MET HB3 1 50 SER H 2.690 . 3.580 2.182 1.829 2.573 . 0 0 "[ . 1 . 2]" 1
578 1 49 MET HB3 1 53 ASP QB 3.860 . 5.920 3.051 2.026 4.068 . 0 0 "[ . 1 . 2]" 1
579 1 49 MET HB3 1 54 ALA H 3.280 . 4.760 3.937 3.572 4.525 . 0 0 "[ . 1 . 2]" 1
580 1 49 MET HB3 1 54 ALA HA 3.480 . 5.160 4.353 3.597 5.171 0.011 13 0 "[ . 1 . 2]" 1
581 1 49 MET HB3 1 54 ALA MB 3.970 . 6.150 3.373 2.068 4.290 . 0 0 "[ . 1 . 2]" 1
582 1 49 MET QG 1 50 SER H 3.920 . 6.040 4.070 3.654 4.403 . 0 0 "[ . 1 . 2]" 1
583 1 49 MET QG 1 54 ALA HA 4.090 . 6.380 4.425 3.462 5.460 . 0 0 "[ . 1 . 2]" 1
584 1 49 MET QG 1 54 ALA MB 4.600 . 7.400 3.753 2.851 4.619 . 0 0 "[ . 1 . 2]" 1
585 1 50 SER H 1 50 SER HB2 2.750 . 3.700 2.702 2.451 3.584 . 0 0 "[ . 1 . 2]" 1
586 1 50 SER H 1 50 SER QB 2.590 . 3.390 2.557 2.299 2.974 . 0 0 "[ . 1 . 2]" 1
587 1 50 SER H 1 50 SER HB3 2.750 . 3.700 3.482 2.535 3.677 . 0 0 "[ . 1 . 2]" 1
588 1 50 SER H 1 53 ASP QB 3.190 . 4.580 2.739 2.147 3.444 . 0 0 "[ . 1 . 2]" 1
589 1 50 SER H 1 54 ALA H 3.260 . 4.720 4.210 3.647 4.689 . 0 0 "[ . 1 . 2]" 1
590 1 50 SER QB 1 51 PRO HD2 2.620 . 3.450 2.257 1.779 3.326 0.011 13 0 "[ . 1 . 2]" 1
591 1 50 SER QB 1 52 LEU H 3.580 . 5.360 3.314 2.785 4.164 . 0 0 "[ . 1 . 2]" 1
592 1 50 SER QB 1 53 ASP H 3.960 . 6.130 2.722 2.260 3.364 . 0 0 "[ . 1 . 2]" 1
593 1 50 SER HB2 1 51 PRO HD2 2.860 . 3.920 3.455 2.240 3.824 . 0 0 "[ . 1 . 2]" 1
594 1 50 SER HB3 1 51 PRO HD2 2.860 . 3.920 2.413 1.788 3.755 0.012 13 0 "[ . 1 . 2]" 1
595 1 51 PRO HA 1 53 ASP H 3.140 . 4.480 4.506 4.428 4.548 0.068 18 0 "[ . 1 . 2]" 1
596 1 51 PRO HA 1 54 ALA H 2.840 . 3.890 3.753 3.472 3.937 0.047 4 0 "[ . 1 . 2]" 1
597 1 51 PRO HA 1 54 ALA MB 3.200 . 4.600 2.940 2.521 3.298 . 0 0 "[ . 1 . 2]" 1
598 1 51 PRO HA 1 55 ARG H 3.090 . 4.380 4.260 3.939 4.425 0.045 20 0 "[ . 1 . 2]" 1
599 1 51 PRO HA 1 81 ILE MD 3.770 . 5.750 2.454 1.732 4.201 0.058 2 0 "[ . 1 . 2]" 1
600 1 51 PRO HB2 1 52 LEU H 2.670 . 3.550 2.841 2.227 3.351 . 0 0 "[ . 1 . 2]" 1
601 1 51 PRO HB2 1 81 ILE MG 3.410 . 5.030 4.900 4.200 5.181 0.151 2 0 "[ . 1 . 2]" 1
602 1 51 PRO HB3 1 52 LEU H 3.000 . 4.200 3.985 3.696 4.214 0.014 2 0 "[ . 1 . 2]" 1
603 1 51 PRO HB3 1 54 ALA MB 4.160 . 6.520 4.852 4.355 5.264 . 0 0 "[ . 1 . 2]" 1
604 1 51 PRO HB3 1 78 GLU QG 3.140 . 4.490 3.320 2.277 4.545 0.055 2 0 "[ . 1 . 2]" 1
605 1 51 PRO HB3 1 81 ILE MG 4.140 . 6.490 3.747 2.936 4.718 . 0 0 "[ . 1 . 2]" 1
606 1 51 PRO HD2 1 52 LEU H 2.700 . 3.610 3.187 2.753 3.529 . 0 0 "[ . 1 . 2]" 1
607 1 51 PRO HD3 1 52 LEU H 3.140 . 4.480 4.165 4.013 4.339 . 0 0 "[ . 1 . 2]" 1
608 1 51 PRO QG 1 52 LEU H 2.840 . 3.880 2.411 2.120 3.542 . 0 0 "[ . 1 . 2]" 1
609 1 51 PRO QG 1 78 GLU QB 3.420 . 5.040 3.821 2.111 4.771 . 0 0 "[ . 1 . 2]" 1
610 1 51 PRO QG 1 78 GLU QG 3.250 . 4.710 2.903 2.019 4.153 . 0 0 "[ . 1 . 2]" 1
611 1 51 PRO HG2 1 52 LEU H 2.980 . 4.170 2.438 2.132 3.738 . 0 0 "[ . 1 . 2]" 1
612 1 51 PRO HG2 1 78 GLU QG 3.520 . 5.240 4.258 2.100 5.292 0.052 10 0 "[ . 1 . 2]" 1
613 1 51 PRO HG3 1 52 LEU H 2.980 . 4.170 3.949 3.737 4.390 0.220 9 0 "[ . 1 . 2]" 1
614 1 51 PRO HG3 1 78 GLU QG 3.520 . 5.240 2.988 2.061 4.343 . 0 0 "[ . 1 . 2]" 1
615 1 52 LEU H 1 52 LEU HB2 2.750 . 3.700 2.511 2.313 3.592 . 0 0 "[ . 1 . 2]" 1
616 1 52 LEU H 1 52 LEU QB 2.580 . 3.360 2.346 2.182 2.636 . 0 0 "[ . 1 . 2]" 1
617 1 52 LEU H 1 52 LEU HB3 2.750 . 3.700 3.181 2.419 3.622 . 0 0 "[ . 1 . 2]" 1
618 1 52 LEU H 1 52 LEU MD1 3.370 . 4.940 3.216 1.788 4.225 0.012 17 0 "[ . 1 . 2]" 1
619 1 52 LEU H 1 52 LEU MD2 3.510 . 5.220 3.788 1.978 4.264 . 0 0 "[ . 1 . 2]" 1
620 1 52 LEU H 1 52 LEU HG 3.120 . 4.450 3.576 1.910 4.482 0.032 4 0 "[ . 1 . 2]" 1
621 1 52 LEU H 1 53 ASP H 2.450 . 3.110 2.531 2.423 2.701 . 0 0 "[ . 1 . 2]" 1
622 1 52 LEU H 1 54 ALA H 3.170 . 4.540 4.120 3.946 4.346 . 0 0 "[ . 1 . 2]" 1
623 1 52 LEU HA 1 52 LEU MD1 3.290 . 4.780 3.119 1.865 3.876 . 0 0 "[ . 1 . 2]" 1
624 1 52 LEU HA 1 52 LEU MD2 3.320 . 4.840 3.275 1.948 4.016 . 0 0 "[ . 1 . 2]" 1
625 1 52 LEU HA 1 52 LEU HG 2.670 . 3.550 2.814 2.411 3.646 0.096 20 0 "[ . 1 . 2]" 1
626 1 52 LEU HA 1 55 ARG H 2.970 . 4.140 3.319 3.155 3.523 . 0 0 "[ . 1 . 2]" 1
627 1 52 LEU HA 1 55 ARG HB2 2.830 . 3.860 2.451 2.335 2.844 . 0 0 "[ . 1 . 2]" 1
628 1 52 LEU HA 1 55 ARG QB 2.740 . 3.690 2.423 2.318 2.795 . 0 0 "[ . 1 . 2]" 1
629 1 52 LEU HA 1 55 ARG HB3 2.830 . 3.860 3.906 2.883 4.100 0.240 12 0 "[ . 1 . 2]" 1
630 1 52 LEU HA 1 55 ARG HD2 3.320 . 4.850 3.542 1.832 4.642 . 0 0 "[ . 1 . 2]" 1
631 1 52 LEU HA 1 55 ARG QD 3.200 . 4.610 2.945 1.780 4.123 0.010 8 0 "[ . 1 . 2]" 1
632 1 52 LEU HA 1 55 ARG HD3 3.320 . 4.850 3.685 1.786 4.762 0.004 8 0 "[ . 1 . 2]" 1
633 1 52 LEU HA 1 56 GLU H 3.230 . 4.660 4.064 3.736 4.302 . 0 0 "[ . 1 . 2]" 1
634 1 52 LEU QB 1 53 ASP H 2.730 . 3.670 2.723 2.520 3.507 . 0 0 "[ . 1 . 2]" 1
635 1 52 LEU HB2 1 53 ASP H 2.920 . 4.040 3.218 2.564 3.965 . 0 0 "[ . 1 . 2]" 1
636 1 52 LEU HB3 1 53 ASP H 2.920 . 4.040 3.355 2.583 4.094 0.054 1 0 "[ . 1 . 2]" 1
637 1 52 LEU MD2 1 55 ARG QD 4.190 . 6.590 4.546 2.036 6.030 . 0 0 "[ . 1 . 2]" 1
638 1 52 LEU MD2 1 56 GLU H 4.160 . 6.520 5.421 3.442 6.488 . 0 0 "[ . 1 . 2]" 1
639 1 52 LEU HG 1 53 ASP H 3.620 . 5.440 4.573 2.447 5.394 . 0 0 "[ . 1 . 2]" 1
640 1 53 ASP H 1 54 ALA H 2.420 . 3.050 2.595 2.408 2.734 . 0 0 "[ . 1 . 2]" 1
641 1 53 ASP H 1 54 ALA MB 3.580 . 5.370 4.276 4.106 4.416 . 0 0 "[ . 1 . 2]" 1
642 1 53 ASP H 1 55 ARG H 2.980 . 4.170 3.921 3.769 4.043 . 0 0 "[ . 1 . 2]" 1
643 1 53 ASP HA 1 55 ARG H 3.290 . 4.790 4.277 4.113 4.469 . 0 0 "[ . 1 . 2]" 1
644 1 53 ASP HA 1 56 GLU H 2.720 . 3.640 3.436 3.095 3.650 0.010 2 0 "[ . 1 . 2]" 1
645 1 53 ASP HA 1 56 GLU QB 3.130 . 4.460 2.847 2.210 4.134 . 0 0 "[ . 1 . 2]" 1
646 1 53 ASP HA 1 57 ASP H 3.180 . 4.570 4.265 3.857 4.601 0.031 17 0 "[ . 1 . 2]" 1
647 1 54 ALA H 1 54 ALA MB 2.610 . 3.420 2.240 2.214 2.261 . 0 0 "[ . 1 . 2]" 1
648 1 54 ALA H 1 55 ARG H 2.500 . 3.210 2.593 2.498 2.712 . 0 0 "[ . 1 . 2]" 1
649 1 54 ALA HA 1 56 GLU H 3.370 . 4.940 4.510 4.240 4.713 . 0 0 "[ . 1 . 2]" 1
650 1 54 ALA HA 1 57 ASP H 2.750 . 3.700 3.344 2.970 3.615 . 0 0 "[ . 1 . 2]" 1
651 1 54 ALA HA 1 57 ASP HB2 2.750 . 3.700 3.314 2.721 3.707 0.007 10 0 "[ . 1 . 2]" 1
652 1 54 ALA HA 1 57 ASP QB 2.610 . 3.420 2.583 2.267 2.897 . 0 0 "[ . 1 . 2]" 1
653 1 54 ALA HA 1 57 ASP HB3 2.750 . 3.700 2.705 2.350 3.055 . 0 0 "[ . 1 . 2]" 1
654 1 54 ALA HA 1 58 LEU H 3.060 . 4.320 4.123 3.839 4.361 0.041 13 0 "[ . 1 . 2]" 1
655 1 54 ALA MB 1 55 ARG H 2.750 . 3.700 2.637 2.448 2.840 . 0 0 "[ . 1 . 2]" 1
656 1 54 ALA MB 1 55 ARG HA 4.160 . 6.520 3.886 3.718 3.956 . 0 0 "[ . 1 . 2]" 1
657 1 54 ALA MB 1 55 ARG QG 3.140 . 4.480 3.603 3.101 4.653 0.173 10 0 "[ . 1 . 2]" 1
658 1 54 ALA MB 1 57 ASP H 3.660 . 5.530 4.507 4.238 4.647 . 0 0 "[ . 1 . 2]" 1
659 1 55 ARG H 1 55 ARG HB2 2.690 . 3.580 2.305 2.051 2.621 . 0 0 "[ . 1 . 2]" 1
660 1 55 ARG H 1 55 ARG QB 2.600 . 3.400 2.274 2.003 2.558 . 0 0 "[ . 1 . 2]" 1
661 1 55 ARG H 1 55 ARG HB3 2.690 . 3.580 3.500 2.803 3.591 0.011 1 0 "[ . 1 . 2]" 1
662 1 55 ARG H 1 55 ARG QD 4.070 . 6.350 4.072 3.375 4.565 . 0 0 "[ . 1 . 2]" 1
663 1 55 ARG H 1 55 ARG HG2 2.980 . 4.170 3.716 3.244 4.369 0.199 10 0 "[ . 1 . 2]" 1
664 1 55 ARG H 1 55 ARG QG 2.730 . 3.670 2.602 2.018 3.697 0.027 10 0 "[ . 1 . 2]" 1
665 1 55 ARG H 1 55 ARG HG3 2.980 . 4.170 2.668 2.038 3.989 . 0 0 "[ . 1 . 2]" 1
666 1 55 ARG H 1 56 GLU H 2.410 . 3.020 2.684 2.532 2.819 . 0 0 "[ . 1 . 2]" 1
667 1 55 ARG H 1 57 ASP H 2.930 . 4.070 3.981 3.763 4.109 0.039 8 0 "[ . 1 . 2]" 1
668 1 55 ARG H 1 59 ILE MD 3.270 . 4.750 4.924 4.875 4.984 0.234 9 0 "[ . 1 . 2]" 1
669 1 55 ARG HA 1 55 ARG HD2 3.650 . 5.500 4.466 4.078 4.780 . 0 0 "[ . 1 . 2]" 1
670 1 55 ARG HA 1 55 ARG HD3 3.650 . 5.500 4.527 4.249 5.009 . 0 0 "[ . 1 . 2]" 1
671 1 55 ARG HA 1 55 ARG HG2 2.750 . 3.700 2.470 2.300 2.745 . 0 0 "[ . 1 . 2]" 1
672 1 55 ARG HA 1 55 ARG HG3 2.750 . 3.700 2.934 2.581 3.225 . 0 0 "[ . 1 . 2]" 1
673 1 55 ARG HA 1 57 ASP H 3.230 . 4.660 4.279 4.073 4.495 . 0 0 "[ . 1 . 2]" 1
674 1 55 ARG HA 1 58 LEU H 3.040 . 4.290 3.432 3.126 3.751 . 0 0 "[ . 1 . 2]" 1
675 1 55 ARG HA 1 58 LEU HB2 2.720 . 3.640 2.649 2.490 2.821 . 0 0 "[ . 1 . 2]" 1
676 1 55 ARG HA 1 58 LEU HB3 3.000 . 4.200 4.236 4.068 4.348 0.148 12 0 "[ . 1 . 2]" 1
677 1 55 ARG HA 1 58 LEU MD1 3.550 . 5.310 2.635 2.228 3.052 . 0 0 "[ . 1 . 2]" 1
678 1 55 ARG HA 1 59 ILE H 3.280 . 4.760 3.956 3.714 4.211 . 0 0 "[ . 1 . 2]" 1
679 1 55 ARG HA 1 59 ILE MD 3.740 . 5.680 3.740 3.424 4.087 . 0 0 "[ . 1 . 2]" 1
680 1 55 ARG HA 1 72 LEU MD1 3.410 . 5.030 4.289 2.861 5.078 0.048 3 0 "[ . 1 . 2]" 1
681 1 55 ARG HB2 1 55 ARG HD2 2.980 . 4.170 3.012 2.331 3.641 . 0 0 "[ . 1 . 2]" 1
682 1 55 ARG HB2 1 55 ARG HD3 2.980 . 4.170 3.212 2.339 3.833 . 0 0 "[ . 1 . 2]" 1
683 1 55 ARG HB2 1 56 GLU H 2.590 . 3.390 2.601 2.110 3.369 . 0 0 "[ . 1 . 2]" 1
684 1 55 ARG HB2 1 59 ILE MD 3.480 . 5.160 3.593 3.093 4.104 . 0 0 "[ . 1 . 2]" 1
685 1 55 ARG HB3 1 55 ARG HD2 2.980 . 4.170 2.926 2.328 3.855 . 0 0 "[ . 1 . 2]" 1
686 1 55 ARG HB3 1 55 ARG HD3 2.980 . 4.170 3.073 2.362 3.710 . 0 0 "[ . 1 . 2]" 1
687 1 55 ARG HB3 1 56 GLU H 2.590 . 3.390 3.271 2.308 3.451 0.061 8 0 "[ . 1 . 2]" 1
688 1 55 ARG HB3 1 59 ILE MD 3.480 . 5.160 2.485 2.097 3.005 . 0 0 "[ . 1 . 2]" 1
689 1 55 ARG QD 1 72 LEU MD1 3.560 . 5.330 2.993 1.784 3.997 0.006 18 0 "[ . 1 . 2]" 1
690 1 55 ARG HD2 1 72 LEU MD1 3.650 . 5.500 3.596 1.797 4.747 0.003 18 0 "[ . 1 . 2]" 1
691 1 55 ARG HD3 1 72 LEU MD1 3.650 . 5.500 3.595 1.947 5.289 . 0 0 "[ . 1 . 2]" 1
692 1 55 ARG QG 1 59 ILE MD 3.710 . 5.630 3.848 1.875 4.396 . 0 0 "[ . 1 . 2]" 1
693 1 55 ARG QG 1 72 LEU MD1 3.650 . 5.510 2.942 1.930 3.743 . 0 0 "[ . 1 . 2]" 1
694 1 55 ARG HG2 1 56 GLU H 3.650 . 5.500 4.919 4.201 5.085 . 0 0 "[ . 1 . 2]" 1
695 1 55 ARG HG3 1 56 GLU H 3.650 . 5.500 4.513 3.912 4.897 . 0 0 "[ . 1 . 2]" 1
696 1 56 GLU H 1 56 GLU HG2 2.980 . 4.170 3.009 2.111 3.813 . 0 0 "[ . 1 . 2]" 1
697 1 56 GLU H 1 56 GLU QG 2.760 . 3.720 2.505 1.988 3.567 . 0 0 "[ . 1 . 2]" 1
698 1 56 GLU H 1 56 GLU HG3 2.980 . 4.170 3.213 2.008 4.289 0.119 9 0 "[ . 1 . 2]" 1
699 1 56 GLU H 1 57 ASP H 2.470 . 3.140 2.696 2.573 2.817 . 0 0 "[ . 1 . 2]" 1
700 1 56 GLU H 1 58 LEU H 3.000 . 4.200 4.202 4.084 4.242 0.042 4 0 "[ . 1 . 2]" 1
701 1 56 GLU H 1 59 ILE MD 3.690 . 5.590 3.506 3.277 3.949 . 0 0 "[ . 1 . 2]" 1
702 1 56 GLU HA 1 56 GLU HG2 3.000 . 4.200 2.704 2.347 3.784 . 0 0 "[ . 1 . 2]" 1
703 1 56 GLU HA 1 56 GLU QG 2.830 . 3.870 2.590 2.317 3.355 . 0 0 "[ . 1 . 2]" 1
704 1 56 GLU HA 1 56 GLU HG3 3.000 . 4.200 3.431 2.675 3.778 . 0 0 "[ . 1 . 2]" 1
705 1 56 GLU HA 1 58 LEU H 3.090 . 4.380 4.398 4.200 4.459 0.079 20 0 "[ . 1 . 2]" 1
706 1 56 GLU HA 1 59 ILE H 2.840 . 3.890 3.360 2.936 3.644 . 0 0 "[ . 1 . 2]" 1
707 1 56 GLU HA 1 59 ILE HB 2.480 . 3.170 2.491 2.015 2.946 . 0 0 "[ . 1 . 2]" 1
708 1 56 GLU HA 1 59 ILE MD 3.490 . 5.190 2.276 1.767 3.302 0.023 18 0 "[ . 1 . 2]" 1
709 1 56 GLU HA 1 59 ILE QG 3.590 . 5.390 3.644 3.092 4.311 . 0 0 "[ . 1 . 2]" 1
710 1 56 GLU HA 1 59 ILE MG 3.820 . 5.840 3.884 3.535 4.308 . 0 0 "[ . 1 . 2]" 1
711 1 56 GLU HA 1 60 LYS H 3.060 . 4.320 3.712 3.455 4.107 . 0 0 "[ . 1 . 2]" 1
712 1 56 GLU QB 1 57 ASP H 3.110 . 4.430 2.763 2.584 3.582 . 0 0 "[ . 1 . 2]" 1
713 1 56 GLU QG 1 57 ASP H 3.520 . 5.240 4.156 2.437 4.611 . 0 0 "[ . 1 . 2]" 1
714 1 56 GLU HG2 1 57 ASP H 3.650 . 5.500 4.743 2.954 5.269 . 0 0 "[ . 1 . 2]" 1
715 1 56 GLU HG3 1 57 ASP H 3.650 . 5.500 4.697 2.595 5.317 . 0 0 "[ . 1 . 2]" 1
716 1 57 ASP H 1 57 ASP HB2 2.410 . 3.020 2.586 2.401 2.745 . 0 0 "[ . 1 . 2]" 1
717 1 57 ASP H 1 57 ASP HB3 2.410 . 3.020 2.519 2.374 2.745 . 0 0 "[ . 1 . 2]" 1
718 1 57 ASP H 1 58 LEU H 2.250 . 2.710 2.573 2.487 2.653 . 0 0 "[ . 1 . 2]" 1
719 1 57 ASP H 1 58 LEU HB2 3.140 . 4.480 4.542 4.498 4.595 0.115 20 0 "[ . 1 . 2]" 1
720 1 57 ASP H 1 58 LEU HG 3.630 . 5.470 4.609 4.426 4.963 . 0 0 "[ . 1 . 2]" 1
721 1 57 ASP H 1 59 ILE H 3.040 . 4.290 4.050 3.902 4.198 . 0 0 "[ . 1 . 2]" 1
722 1 57 ASP HA 1 59 ILE H 3.550 . 5.310 4.566 4.173 4.779 . 0 0 "[ . 1 . 2]" 1
723 1 57 ASP HA 1 60 LYS H 2.810 . 3.830 3.702 3.167 3.950 0.120 6 0 "[ . 1 . 2]" 1
724 1 57 ASP HA 1 60 LYS QB 3.110 . 4.430 3.265 2.289 4.304 . 0 0 "[ . 1 . 2]" 1
725 1 57 ASP HA 1 60 LYS QD 3.980 . 6.170 3.831 1.707 6.200 0.083 11 0 "[ . 1 . 2]" 1
726 1 57 ASP HA 1 60 LYS QG 3.900 . 6.010 3.513 2.068 4.831 . 0 0 "[ . 1 . 2]" 1
727 1 57 ASP HA 1 61 LYS H 3.010 . 4.230 3.982 3.765 4.263 0.033 18 0 "[ . 1 . 2]" 1
728 1 57 ASP QB 1 58 LEU H 2.620 . 3.450 2.520 2.355 2.715 . 0 0 "[ . 1 . 2]" 1
729 1 57 ASP HB2 1 58 LEU H 2.830 . 3.860 3.832 3.743 3.929 0.069 8 0 "[ . 1 . 2]" 1
730 1 57 ASP HB3 1 58 LEU H 2.830 . 3.860 2.557 2.381 2.782 . 0 0 "[ . 1 . 2]" 1
731 1 58 LEU H 1 58 LEU HB2 2.580 . 3.360 2.326 2.244 2.395 . 0 0 "[ . 1 . 2]" 1
732 1 58 LEU H 1 58 LEU HB3 2.860 . 3.920 3.547 3.520 3.572 . 0 0 "[ . 1 . 2]" 1
733 1 58 LEU H 1 58 LEU MD1 3.130 . 4.470 3.688 3.568 3.788 . 0 0 "[ . 1 . 2]" 1
734 1 58 LEU H 1 58 LEU MD2 3.210 . 4.630 3.464 3.316 3.639 . 0 0 "[ . 1 . 2]" 1
735 1 58 LEU H 1 58 LEU HG 2.700 . 3.610 2.500 2.302 2.709 . 0 0 "[ . 1 . 2]" 1
736 1 58 LEU H 1 59 ILE H 2.410 . 3.020 2.648 2.527 2.724 . 0 0 "[ . 1 . 2]" 1
737 1 58 LEU H 1 59 ILE MD 3.570 . 5.340 4.719 4.465 4.901 . 0 0 "[ . 1 . 2]" 1
738 1 58 LEU H 1 60 LYS H 3.150 . 4.510 4.200 3.948 4.396 . 0 0 "[ . 1 . 2]" 1
739 1 58 LEU HA 1 58 LEU MD1 3.600 . 5.400 3.825 3.796 3.852 . 0 0 "[ . 1 . 2]" 1
740 1 58 LEU HA 1 58 LEU MD2 3.100 . 4.410 1.923 1.840 1.988 . 0 0 "[ . 1 . 2]" 1
741 1 58 LEU HA 1 60 LYS H 3.400 . 5.000 4.613 4.387 4.746 . 0 0 "[ . 1 . 2]" 1
742 1 58 LEU HA 1 61 LYS H 2.810 . 3.830 3.660 3.275 3.903 0.073 8 0 "[ . 1 . 2]" 1
743 1 58 LEU HA 1 61 LYS HB2 2.830 . 3.860 3.032 2.494 3.380 . 0 0 "[ . 1 . 2]" 1
744 1 58 LEU HA 1 61 LYS HB3 2.830 . 3.860 3.506 3.125 3.974 0.114 18 0 "[ . 1 . 2]" 1
745 1 58 LEU HA 1 62 ALA H 3.150 . 4.510 3.882 3.703 4.041 . 0 0 "[ . 1 . 2]" 1
746 1 58 LEU HB2 1 58 LEU HG 2.360 . 2.930 2.445 2.400 2.486 . 0 0 "[ . 1 . 2]" 1
747 1 58 LEU HB2 1 59 ILE H 2.500 . 3.210 2.484 2.344 2.589 . 0 0 "[ . 1 . 2]" 1
748 1 58 LEU HB3 1 59 ILE H 2.790 . 3.790 3.355 3.145 3.487 . 0 0 "[ . 1 . 2]" 1
749 1 58 LEU MD1 1 59 ILE H 3.550 . 5.310 4.441 4.326 4.542 . 0 0 "[ . 1 . 2]" 1
750 1 58 LEU MD1 1 83 GLY HA2 3.890 . 5.990 4.695 3.169 5.987 . 0 0 "[ . 1 . 2]" 1
751 1 58 LEU MD1 1 83 GLY QA 3.810 . 5.830 3.530 2.053 4.831 . 0 0 "[ . 1 . 2]" 1
752 1 58 LEU MD1 1 83 GLY HA3 3.890 . 5.990 3.660 2.080 5.111 . 0 0 "[ . 1 . 2]" 1
753 1 58 LEU MD1 1 84 THR H 3.270 . 4.750 4.163 2.990 4.802 0.052 20 0 "[ . 1 . 2]" 1
754 1 58 LEU MD1 1 85 ALA MB 3.720 . 5.650 2.251 1.763 2.739 0.027 12 0 "[ . 1 . 2]" 1
755 1 58 LEU MD2 1 59 ILE H 3.660 . 5.530 4.590 4.554 4.648 . 0 0 "[ . 1 . 2]" 1
756 1 58 LEU MD2 1 84 THR HA 4.140 . 6.490 3.848 2.833 4.555 . 0 0 "[ . 1 . 2]" 1
757 1 58 LEU MD2 1 85 ALA H 3.230 . 4.660 3.782 2.953 4.498 . 0 0 "[ . 1 . 2]" 1
758 1 58 LEU MD2 1 85 ALA MB 4.050 . 6.300 2.879 2.218 3.521 . 0 0 "[ . 1 . 2]" 1
759 1 58 LEU HG 1 59 ILE H 3.650 . 5.500 4.426 4.290 4.541 . 0 0 "[ . 1 . 2]" 1
760 1 59 ILE H 1 59 ILE HB 2.440 . 3.080 2.476 2.441 2.535 . 0 0 "[ . 1 . 2]" 1
761 1 59 ILE H 1 59 ILE MD 2.980 . 4.160 3.203 3.061 3.329 . 0 0 "[ . 1 . 2]" 1
762 1 59 ILE H 1 59 ILE HG12 2.830 . 3.860 3.614 3.546 3.692 . 0 0 "[ . 1 . 2]" 1
763 1 59 ILE H 1 59 ILE QG 2.560 . 3.330 2.139 2.052 2.214 . 0 0 "[ . 1 . 2]" 1
764 1 59 ILE H 1 59 ILE HG13 2.830 . 3.860 2.155 2.065 2.233 . 0 0 "[ . 1 . 2]" 1
765 1 59 ILE H 1 59 ILE MG 3.090 . 4.380 3.749 3.742 3.758 . 0 0 "[ . 1 . 2]" 1
766 1 59 ILE H 1 60 LYS H 2.520 . 3.240 2.720 2.587 2.836 . 0 0 "[ . 1 . 2]" 1
767 1 59 ILE H 1 61 LYS H 2.930 . 4.070 4.103 3.997 4.187 0.117 19 0 "[ . 1 . 2]" 1
768 1 59 ILE H 1 62 ALA MB 3.510 . 5.220 4.720 4.511 4.885 . 0 0 "[ . 1 . 2]" 1
769 1 59 ILE HA 1 59 ILE HG12 2.670 . 3.550 2.714 2.649 2.809 . 0 0 "[ . 1 . 2]" 1
770 1 59 ILE HA 1 59 ILE QG 2.570 . 3.340 2.419 2.396 2.462 . 0 0 "[ . 1 . 2]" 1
771 1 59 ILE HA 1 59 ILE HG13 2.670 . 3.550 2.720 2.638 2.803 . 0 0 "[ . 1 . 2]" 1
772 1 59 ILE HA 1 61 LYS H 3.600 . 5.410 4.505 4.277 4.659 . 0 0 "[ . 1 . 2]" 1
773 1 59 ILE HA 1 62 ALA H 2.840 . 3.890 3.739 3.479 3.925 0.035 10 0 "[ . 1 . 2]" 1
774 1 59 ILE HA 1 62 ALA MB 3.100 . 4.410 2.821 2.483 3.074 . 0 0 "[ . 1 . 2]" 1
775 1 59 ILE HA 1 63 ASP H 3.140 . 4.480 4.181 3.954 4.514 0.034 7 0 "[ . 1 . 2]" 1
776 1 59 ILE HA 1 70 VAL MG2 3.780 . 5.770 3.850 3.028 4.465 . 0 0 "[ . 1 . 2]" 1
777 1 59 ILE HB 1 60 LYS H 2.480 . 3.170 2.586 2.475 2.729 . 0 0 "[ . 1 . 2]" 1
778 1 59 ILE MD 1 60 LYS H 3.750 . 5.710 4.382 4.259 4.527 . 0 0 "[ . 1 . 2]" 1
779 1 59 ILE QG 1 60 LYS H 3.470 . 5.140 4.097 4.023 4.159 . 0 0 "[ . 1 . 2]" 1
780 1 59 ILE HG12 1 60 LYS H 3.650 . 5.500 5.087 5.033 5.151 . 0 0 "[ . 1 . 2]" 1
781 1 59 ILE HG13 1 60 LYS H 3.650 . 5.500 4.320 4.211 4.391 . 0 0 "[ . 1 . 2]" 1
782 1 59 ILE MG 1 60 LYS H 3.100 . 4.410 3.336 3.156 3.553 . 0 0 "[ . 1 . 2]" 1
783 1 59 ILE MG 1 60 LYS HA 3.850 . 5.900 3.357 3.198 3.637 . 0 0 "[ . 1 . 2]" 1
784 1 59 ILE MG 1 62 ALA H 3.550 . 5.310 4.994 4.806 5.132 . 0 0 "[ . 1 . 2]" 1
785 1 60 LYS H 1 60 LYS QD 3.960 . 6.130 3.828 3.281 4.820 . 0 0 "[ . 1 . 2]" 1
786 1 60 LYS H 1 60 LYS HG2 3.170 . 4.540 3.029 2.034 4.450 . 0 0 "[ . 1 . 2]" 1
787 1 60 LYS H 1 60 LYS QG 2.850 . 3.910 2.521 2.015 3.952 0.042 9 0 "[ . 1 . 2]" 1
788 1 60 LYS H 1 60 LYS HG3 3.170 . 4.540 3.301 2.218 4.423 . 0 0 "[ . 1 . 2]" 1
789 1 60 LYS H 1 61 LYS H 2.410 . 3.020 2.607 2.490 2.876 . 0 0 "[ . 1 . 2]" 1
790 1 60 LYS H 1 62 ALA H 3.090 . 4.380 4.220 4.114 4.353 . 0 0 "[ . 1 . 2]" 1
791 1 60 LYS HA 1 60 LYS QD 4.090 . 6.380 3.602 1.794 4.557 0.006 3 0 "[ . 1 . 2]" 1
792 1 60 LYS HA 1 60 LYS QE 4.090 . 6.380 4.274 1.771 5.668 0.029 16 0 "[ . 1 . 2]" 1
793 1 60 LYS HA 1 60 LYS HG2 2.730 . 3.670 3.062 2.357 3.829 0.159 15 0 "[ . 1 . 2]" 1
794 1 60 LYS HA 1 60 LYS HG3 2.730 . 3.670 3.353 2.630 3.758 0.088 1 0 "[ . 1 . 2]" 1
795 1 60 LYS HA 1 62 ALA H 3.200 . 4.600 4.581 4.407 4.727 0.127 19 0 "[ . 1 . 2]" 1
796 1 60 LYS HA 1 63 ASP H 2.840 . 3.890 3.435 3.200 3.785 . 0 0 "[ . 1 . 2]" 1
797 1 60 LYS HA 1 63 ASP HB2 2.750 . 3.700 3.451 2.712 3.747 0.047 18 0 "[ . 1 . 2]" 1
798 1 60 LYS HA 1 63 ASP QB 2.590 . 3.380 2.499 2.024 2.798 . 0 0 "[ . 1 . 2]" 1
799 1 60 LYS HA 1 63 ASP HB3 2.750 . 3.700 2.569 2.050 2.945 . 0 0 "[ . 1 . 2]" 1
800 1 60 LYS HA 1 64 GLU H 3.010 . 4.230 4.026 3.615 4.241 0.011 16 0 "[ . 1 . 2]" 1
801 1 60 LYS QB 1 61 LYS H 3.060 . 4.330 2.858 2.194 3.537 . 0 0 "[ . 1 . 2]" 1
802 1 60 LYS QD 1 61 LYS H 3.530 . 5.270 4.604 4.083 5.248 . 0 0 "[ . 1 . 2]" 1
803 1 60 LYS QG 1 61 LYS H 3.360 . 4.920 3.593 2.178 4.493 . 0 0 "[ . 1 . 2]" 1
804 1 61 LYS H 1 61 LYS HB2 2.580 . 3.360 2.060 2.019 2.129 . 0 0 "[ . 1 . 2]" 1
805 1 61 LYS H 1 61 LYS QB 2.420 . 3.040 2.032 1.990 2.110 . 0 0 "[ . 1 . 2]" 1
806 1 61 LYS H 1 61 LYS HB3 2.580 . 3.360 3.120 2.994 3.451 0.091 6 0 "[ . 1 . 2]" 1
807 1 61 LYS H 1 61 LYS HD2 3.650 . 5.500 5.417 4.974 5.627 0.127 11 0 "[ . 1 . 2]" 1
808 1 61 LYS H 1 61 LYS HD3 3.230 . 4.660 4.214 4.062 4.444 . 0 0 "[ . 1 . 2]" 1
809 1 61 LYS H 1 61 LYS HG2 3.240 . 4.690 4.453 3.886 4.577 . 0 0 "[ . 1 . 2]" 1
810 1 61 LYS H 1 61 LYS HG3 2.790 . 3.790 3.727 2.845 3.922 0.132 1 0 "[ . 1 . 2]" 1
811 1 61 LYS H 1 62 ALA H 2.410 . 3.020 2.646 2.515 2.782 . 0 0 "[ . 1 . 2]" 1
812 1 61 LYS H 1 62 ALA MB 4.160 . 6.520 4.266 4.090 4.393 . 0 0 "[ . 1 . 2]" 1
813 1 61 LYS H 1 63 ASP H 3.170 . 4.540 4.014 3.770 4.211 . 0 0 "[ . 1 . 2]" 1
814 1 61 LYS HA 1 61 LYS HD2 3.510 . 5.220 4.527 4.431 4.561 . 0 0 "[ . 1 . 2]" 1
815 1 61 LYS HA 1 61 LYS HD3 3.650 . 5.500 4.117 3.786 4.471 . 0 0 "[ . 1 . 2]" 1
816 1 61 LYS HA 1 61 LYS HE2 3.650 . 5.500 4.761 4.439 5.605 0.105 6 0 "[ . 1 . 2]" 1
817 1 61 LYS HA 1 61 LYS HE3 3.620 . 5.440 4.966 4.197 5.178 . 0 0 "[ . 1 . 2]" 1
818 1 61 LYS HA 1 61 LYS HG2 2.360 . 2.930 2.817 2.241 3.033 0.103 19 0 "[ . 1 . 2]" 1
819 1 61 LYS HA 1 61 LYS HG3 2.750 . 3.700 2.230 2.000 2.682 . 0 0 "[ . 1 . 2]" 1
820 1 61 LYS HA 1 63 ASP H 3.550 . 5.310 4.351 4.112 4.610 . 0 0 "[ . 1 . 2]" 1
821 1 61 LYS HA 1 64 GLU H 2.760 . 3.730 3.141 2.915 3.387 . 0 0 "[ . 1 . 2]" 1
822 1 61 LYS HA 1 64 GLU HB2 2.660 . 3.520 2.137 1.944 2.487 . 0 0 "[ . 1 . 2]" 1
823 1 61 LYS HA 1 64 GLU QB 2.570 . 3.340 2.121 1.935 2.444 . 0 0 "[ . 1 . 2]" 1
824 1 61 LYS HA 1 64 GLU HB3 2.660 . 3.520 3.628 3.519 3.690 0.170 4 0 "[ . 1 . 2]" 1
825 1 61 LYS HA 1 64 GLU HG2 3.590 . 5.380 4.221 2.393 5.272 . 0 0 "[ . 1 . 2]" 1
826 1 61 LYS HA 1 64 GLU HG3 3.430 . 5.070 3.222 2.123 4.382 . 0 0 "[ . 1 . 2]" 1
827 1 61 LYS HA 1 65 LYS H 3.310 . 4.820 4.092 3.797 4.432 . 0 0 "[ . 1 . 2]" 1
828 1 61 LYS QB 1 61 LYS HD2 2.610 . 3.420 3.282 3.269 3.298 . 0 0 "[ . 1 . 2]" 1
829 1 61 LYS QB 1 61 LYS HE2 2.750 . 3.710 2.236 1.856 3.506 . 0 0 "[ . 1 . 2]" 1
830 1 61 LYS QB 1 61 LYS HE3 3.820 . 5.850 2.689 2.042 2.916 . 0 0 "[ . 1 . 2]" 1
831 1 61 LYS QB 1 61 LYS HG3 2.200 . 2.610 2.422 2.310 2.477 . 0 0 "[ . 1 . 2]" 1
832 1 61 LYS QB 1 62 ALA H 2.520 . 3.240 2.567 2.477 2.675 . 0 0 "[ . 1 . 2]" 1
833 1 61 LYS HB2 1 61 LYS HG3 2.390 . 2.990 2.569 2.404 2.675 . 0 0 "[ . 1 . 2]" 1
834 1 61 LYS HB2 1 62 ALA H 2.620 . 3.450 3.210 2.705 3.452 0.002 11 0 "[ . 1 . 2]" 1
835 1 61 LYS HB3 1 61 LYS HG3 2.390 . 2.990 2.971 2.924 3.001 0.011 9 0 "[ . 1 . 2]" 1
836 1 61 LYS HB3 1 62 ALA H 2.620 . 3.450 2.753 2.557 3.210 . 0 0 "[ . 1 . 2]" 1
837 1 61 LYS HD2 1 61 LYS HG3 2.170 . 2.550 2.464 2.355 2.532 . 0 0 "[ . 1 . 2]" 1
838 1 61 LYS HD3 1 61 LYS HG3 2.350 . 2.900 2.424 2.351 2.564 . 0 0 "[ . 1 . 2]" 1
839 1 61 LYS HE2 1 61 LYS HG2 2.840 . 3.890 3.201 3.011 3.650 . 0 0 "[ . 1 . 2]" 1
840 1 61 LYS HE2 1 61 LYS HG3 3.000 . 4.200 3.759 3.623 4.229 0.029 18 0 "[ . 1 . 2]" 1
841 1 61 LYS HE3 1 61 LYS HG2 2.730 . 3.670 2.654 2.406 3.030 . 0 0 "[ . 1 . 2]" 1
842 1 61 LYS HE3 1 62 ALA H 3.650 . 5.500 5.460 5.077 5.571 0.071 19 0 "[ . 1 . 2]" 1
843 1 61 LYS HG2 1 62 ALA H 3.200 . 4.600 4.682 4.517 4.908 0.308 6 0 "[ . 1 . 2]" 1
844 1 61 LYS HG3 1 64 GLU QB 2.960 . 4.120 3.670 3.209 4.303 0.183 2 0 "[ . 1 . 2]" 1
845 1 62 ALA H 1 62 ALA MB 2.610 . 3.420 2.235 2.223 2.243 . 0 0 "[ . 1 . 2]" 1
846 1 62 ALA H 1 63 ASP H 2.450 . 3.110 2.750 2.605 2.856 . 0 0 "[ . 1 . 2]" 1
847 1 62 ALA H 1 64 GLU H 2.950 . 4.110 4.012 3.923 4.135 0.025 5 0 "[ . 1 . 2]" 1
848 1 62 ALA H 1 87 ILE MD 3.340 . 4.880 4.456 4.227 4.689 . 0 0 "[ . 1 . 2]" 1
849 1 62 ALA HA 1 64 GLU H 3.380 . 4.970 4.364 4.157 4.518 . 0 0 "[ . 1 . 2]" 1
850 1 62 ALA HA 1 65 LYS H 2.950 . 4.110 3.422 3.261 3.752 . 0 0 "[ . 1 . 2]" 1
851 1 62 ALA HA 1 65 LYS HB2 3.170 . 4.540 3.550 2.350 4.557 0.017 7 0 "[ . 1 . 2]" 1
852 1 62 ALA HA 1 65 LYS QB 2.940 . 4.090 2.887 2.317 3.554 . 0 0 "[ . 1 . 2]" 1
853 1 62 ALA HA 1 65 LYS HB3 3.170 . 4.540 3.181 2.757 4.396 . 0 0 "[ . 1 . 2]" 1
854 1 62 ALA HA 1 67 ALA MB 3.490 . 5.190 3.447 2.929 3.816 . 0 0 "[ . 1 . 2]" 1
855 1 62 ALA HA 1 87 ILE MD 3.550 . 5.310 2.502 2.272 2.886 . 0 0 "[ . 1 . 2]" 1
856 1 62 ALA HA 1 87 ILE MG 3.520 . 5.250 3.297 2.897 3.844 . 0 0 "[ . 1 . 2]" 1
857 1 62 ALA MB 1 63 ASP H 2.700 . 3.600 2.449 2.305 2.611 . 0 0 "[ . 1 . 2]" 1
858 1 62 ALA MB 1 63 ASP HA 3.880 . 5.960 3.875 3.821 3.963 . 0 0 "[ . 1 . 2]" 1
859 1 62 ALA MB 1 67 ALA H 4.160 . 6.520 4.059 3.549 4.807 . 0 0 "[ . 1 . 2]" 1
860 1 62 ALA MB 1 70 VAL MG1 3.710 . 5.620 2.156 1.968 3.008 . 0 0 "[ . 1 . 2]" 1
861 1 62 ALA MB 1 70 VAL MG2 3.610 . 5.430 3.829 2.399 4.167 . 0 0 "[ . 1 . 2]" 1
862 1 62 ALA MB 1 71 VAL H 3.650 . 5.500 5.415 5.113 5.570 0.070 14 0 "[ . 1 . 2]" 1
863 1 63 ASP H 1 63 ASP HB2 2.720 . 3.640 2.565 2.323 2.686 . 0 0 "[ . 1 . 2]" 1
864 1 63 ASP H 1 63 ASP QB 2.530 . 3.270 2.234 2.165 2.263 . 0 0 "[ . 1 . 2]" 1
865 1 63 ASP H 1 63 ASP HB3 2.720 . 3.640 2.472 2.352 2.607 . 0 0 "[ . 1 . 2]" 1
866 1 63 ASP H 1 64 GLU H 2.620 . 3.450 2.599 2.509 2.776 . 0 0 "[ . 1 . 2]" 1
867 1 63 ASP HA 1 66 GLY H 2.970 . 4.140 3.308 2.979 3.657 . 0 0 "[ . 1 . 2]" 1
868 1 63 ASP HA 1 67 ALA H 2.700 . 3.610 3.102 2.470 3.627 0.017 11 0 "[ . 1 . 2]" 1
869 1 63 ASP HA 1 67 ALA MB 4.160 . 6.520 3.736 2.864 4.526 . 0 0 "[ . 1 . 2]" 1
870 1 63 ASP QB 1 64 GLU H 2.820 . 3.840 2.600 2.448 2.756 . 0 0 "[ . 1 . 2]" 1
871 1 63 ASP HB2 1 64 GLU H 2.950 . 4.110 3.899 3.714 4.034 . 0 0 "[ . 1 . 2]" 1
872 1 63 ASP HB3 1 64 GLU H 2.950 . 4.110 2.641 2.480 2.806 . 0 0 "[ . 1 . 2]" 1
873 1 64 GLU H 1 64 GLU HB2 2.690 . 3.580 2.266 2.010 2.459 . 0 0 "[ . 1 . 2]" 1
874 1 64 GLU H 1 64 GLU QB 2.540 . 3.280 2.239 1.990 2.417 . 0 0 "[ . 1 . 2]" 1
875 1 64 GLU H 1 64 GLU HB3 2.690 . 3.580 3.507 3.191 3.575 . 0 0 "[ . 1 . 2]" 1
876 1 64 GLU H 1 64 GLU HG2 3.040 . 4.290 3.465 2.120 4.251 . 0 0 "[ . 1 . 2]" 1
877 1 64 GLU H 1 64 GLU HG3 2.590 . 3.390 2.896 2.408 3.547 0.157 5 0 "[ . 1 . 2]" 1
878 1 64 GLU H 1 65 LYS H 2.500 . 3.210 2.652 2.451 2.820 . 0 0 "[ . 1 . 2]" 1
879 1 64 GLU H 1 66 GLY H 2.830 . 3.860 3.894 3.842 3.946 0.086 4 0 "[ . 1 . 2]" 1
880 1 64 GLU HA 1 64 GLU HG2 2.450 . 3.110 2.481 2.286 2.898 . 0 0 "[ . 1 . 2]" 1
881 1 64 GLU HA 1 64 GLU HG3 2.780 . 3.760 3.052 2.581 3.754 . 0 0 "[ . 1 . 2]" 1
882 1 64 GLU HA 1 66 GLY H 3.090 . 4.380 4.092 3.624 4.441 0.061 7 0 "[ . 1 . 2]" 1
883 1 64 GLU HB2 1 64 GLU HG2 2.310 . 2.830 2.883 2.458 2.987 0.157 3 0 "[ . 1 . 2]" 1
884 1 64 GLU HB2 1 65 LYS H 2.790 . 3.790 2.880 2.661 3.250 . 0 0 "[ . 1 . 2]" 1
885 1 64 GLU HB3 1 64 GLU HG2 2.310 . 2.830 2.570 2.398 2.982 0.152 19 0 "[ . 1 . 2]" 1
886 1 64 GLU HB3 1 65 LYS H 2.790 . 3.790 3.531 2.920 3.799 0.009 16 0 "[ . 1 . 2]" 1
887 1 65 LYS H 1 65 LYS HB2 2.720 . 3.640 2.496 2.056 2.778 . 0 0 "[ . 1 . 2]" 1
888 1 65 LYS H 1 65 LYS QB 2.500 . 3.210 2.271 2.035 2.364 . 0 0 "[ . 1 . 2]" 1
889 1 65 LYS H 1 65 LYS HB3 2.720 . 3.640 2.709 2.498 3.505 . 0 0 "[ . 1 . 2]" 1
890 1 65 LYS H 1 65 LYS QD 3.410 . 5.020 4.394 3.046 4.873 . 0 0 "[ . 1 . 2]" 1
891 1 65 LYS H 1 65 LYS QG 3.590 . 5.390 3.948 2.982 4.069 . 0 0 "[ . 1 . 2]" 1
892 1 65 LYS H 1 66 GLY H 2.390 . 2.990 2.396 2.190 2.550 . 0 0 "[ . 1 . 2]" 1
893 1 65 LYS H 1 66 GLY HA2 3.350 . 4.910 4.698 4.475 4.886 . 0 0 "[ . 1 . 2]" 1
894 1 65 LYS H 1 87 ILE MD 3.580 . 5.370 4.649 4.353 5.002 . 0 0 "[ . 1 . 2]" 1
895 1 65 LYS HA 1 65 LYS QD 3.070 . 4.340 3.428 1.914 4.229 . 0 0 "[ . 1 . 2]" 1
896 1 65 LYS HA 1 65 LYS QE 4.090 . 6.380 4.184 2.080 5.111 . 0 0 "[ . 1 . 2]" 1
897 1 65 LYS HA 1 87 ILE MD 4.160 . 6.520 5.460 4.895 5.946 . 0 0 "[ . 1 . 2]" 1
898 1 65 LYS QB 1 65 LYS QE 3.970 . 6.140 3.005 1.884 3.694 . 0 0 "[ . 1 . 2]" 1
899 1 65 LYS QB 1 87 ILE MD 3.420 . 5.040 2.926 2.471 3.331 . 0 0 "[ . 1 . 2]" 1
900 1 65 LYS HB2 1 65 LYS QE 4.090 . 6.380 3.389 1.906 4.167 . 0 0 "[ . 1 . 2]" 1
901 1 65 LYS HB2 1 66 GLY H 3.430 . 5.070 3.945 3.480 4.181 . 0 0 "[ . 1 . 2]" 1
902 1 65 LYS HB2 1 87 ILE MD 3.550 . 5.310 3.856 3.182 4.490 . 0 0 "[ . 1 . 2]" 1
903 1 65 LYS HB3 1 65 LYS QE 4.090 . 6.380 3.619 2.214 4.495 . 0 0 "[ . 1 . 2]" 1
904 1 65 LYS HB3 1 66 GLY H 3.430 . 5.070 3.090 2.640 4.114 . 0 0 "[ . 1 . 2]" 1
905 1 65 LYS HB3 1 87 ILE MD 3.550 . 5.310 3.052 2.543 3.814 . 0 0 "[ . 1 . 2]" 1
906 1 65 LYS QD 1 87 ILE MD 4.600 . 7.400 3.318 1.978 4.802 . 0 0 "[ . 1 . 2]" 1
907 1 65 LYS QE 1 87 ILE MD 4.600 . 7.400 3.689 1.966 5.105 . 0 0 "[ . 1 . 2]" 1
908 1 65 LYS QG 1 87 ILE MD 4.340 . 6.880 3.572 2.341 4.776 . 0 0 "[ . 1 . 2]" 1
909 1 66 GLY H 1 67 ALA H 2.530 . 3.270 2.395 2.023 3.040 . 0 0 "[ . 1 . 2]" 1
910 1 66 GLY HA3 1 67 ALA H 2.640 . 3.480 3.483 3.297 3.558 0.078 7 0 "[ . 1 . 2]" 1
911 1 67 ALA H 1 67 ALA MB 2.610 . 3.420 2.324 2.233 2.519 . 0 0 "[ . 1 . 2]" 1
912 1 67 ALA H 1 68 ASP H 3.520 . 5.250 4.549 4.431 4.626 . 0 0 "[ . 1 . 2]" 1
913 1 67 ALA HA 1 68 ASP H 2.300 . 2.800 2.275 2.174 2.408 . 0 0 "[ . 1 . 2]" 1
914 1 67 ALA HA 1 69 VAL H 2.920 . 4.040 4.090 3.998 4.175 0.135 2 0 "[ . 1 . 2]" 1
915 1 67 ALA HA 1 89 LYS HA 2.830 . 3.860 3.181 2.809 3.538 . 0 0 "[ . 1 . 2]" 1
916 1 67 ALA HA 1 89 LYS HB2 3.210 . 4.630 3.812 2.915 4.830 0.200 11 0 "[ . 1 . 2]" 1
917 1 67 ALA HA 1 89 LYS QB 3.030 . 4.270 3.361 2.866 4.193 . 0 0 "[ . 1 . 2]" 1
918 1 67 ALA HA 1 89 LYS HB3 3.210 . 4.630 4.255 2.957 4.803 0.173 18 0 "[ . 1 . 2]" 1
919 1 67 ALA HA 1 89 LYS QG 3.660 . 5.520 3.840 1.882 5.186 . 0 0 "[ . 1 . 2]" 1
920 1 67 ALA MB 1 68 ASP H 2.730 . 3.670 2.619 2.237 2.922 . 0 0 "[ . 1 . 2]" 1
921 1 67 ALA MB 1 68 ASP HA 4.160 . 6.520 4.181 4.001 4.349 . 0 0 "[ . 1 . 2]" 1
922 1 67 ALA MB 1 69 VAL H 2.850 . 3.910 3.122 2.887 3.378 . 0 0 "[ . 1 . 2]" 1
923 1 67 ALA MB 1 70 VAL HA 4.060 . 6.330 4.113 3.939 4.274 . 0 0 "[ . 1 . 2]" 1
924 1 67 ALA MB 1 70 VAL MG2 4.310 . 6.820 4.540 2.654 5.000 . 0 0 "[ . 1 . 2]" 1
925 1 67 ALA MB 1 87 ILE HA 4.060 . 6.330 3.843 3.644 4.143 . 0 0 "[ . 1 . 2]" 1
926 1 67 ALA MB 1 87 ILE HB 2.890 . 3.980 2.051 1.940 2.391 . 0 0 "[ . 1 . 2]" 1
927 1 67 ALA MB 1 87 ILE MG 4.090 . 6.390 2.884 2.655 3.235 . 0 0 "[ . 1 . 2]" 1
928 1 67 ALA MB 1 88 TYR H 2.980 . 4.160 2.960 2.666 3.275 . 0 0 "[ . 1 . 2]" 1
929 1 67 ALA MB 1 89 LYS H 3.460 . 5.120 4.916 4.586 5.163 0.043 16 0 "[ . 1 . 2]" 1
930 1 67 ALA MB 1 89 LYS HA 4.160 . 6.520 4.055 3.835 4.341 . 0 0 "[ . 1 . 2]" 1
931 1 67 ALA MB 1 89 LYS HB2 4.160 . 6.520 4.780 3.893 5.490 . 0 0 "[ . 1 . 2]" 1
932 1 67 ALA MB 1 89 LYS HB3 4.160 . 6.520 5.184 4.135 5.683 . 0 0 "[ . 1 . 2]" 1
933 1 68 ASP H 1 68 ASP HB2 2.760 . 3.730 2.611 2.307 3.650 . 0 0 "[ . 1 . 2]" 1
934 1 68 ASP H 1 68 ASP QB 2.550 . 3.310 2.386 2.280 2.549 . 0 0 "[ . 1 . 2]" 1
935 1 68 ASP H 1 68 ASP HB3 2.760 . 3.730 3.204 2.473 3.740 0.010 7 0 "[ . 1 . 2]" 1
936 1 68 ASP H 1 69 VAL H 2.280 . 2.770 2.084 1.853 2.365 . 0 0 "[ . 1 . 2]" 1
937 1 68 ASP H 1 89 LYS HA 2.360 . 2.930 2.248 2.010 2.612 . 0 0 "[ . 1 . 2]" 1
938 1 68 ASP H 1 89 LYS QB 3.500 . 5.200 3.827 3.289 4.302 . 0 0 "[ . 1 . 2]" 1
939 1 68 ASP H 1 89 LYS QG 4.060 . 6.320 4.385 2.786 5.270 . 0 0 "[ . 1 . 2]" 1
940 1 68 ASP H 1 90 LYS H 2.920 . 4.040 3.902 3.560 4.114 0.074 8 0 "[ . 1 . 2]" 1
941 1 68 ASP HA 1 69 VAL QG 4.930 . 8.070 4.253 4.166 4.433 . 0 0 "[ . 1 . 2]" 1
942 1 68 ASP QB 1 69 VAL H 2.590 . 3.380 2.663 2.276 3.311 . 0 0 "[ . 1 . 2]" 1
943 1 68 ASP QB 1 69 VAL QG 4.300 . 6.810 2.838 2.483 3.567 . 0 0 "[ . 1 . 2]" 1
944 1 68 ASP QB 1 89 LYS HA 2.710 . 3.620 2.459 2.115 2.824 . 0 0 "[ . 1 . 2]" 1
945 1 68 ASP QB 1 90 LYS H 2.710 . 3.620 2.407 1.796 2.972 0.004 16 0 "[ . 1 . 2]" 1
946 1 68 ASP QB 1 90 LYS QB 3.770 . 5.740 2.943 2.424 3.842 . 0 0 "[ . 1 . 2]" 1
947 1 68 ASP HB2 1 69 VAL H 2.790 . 3.790 3.192 2.534 3.981 0.191 8 0 "[ . 1 . 2]" 1
948 1 68 ASP HB2 1 69 VAL MG1 5.230 . 8.660 5.879 5.227 6.621 . 0 0 "[ . 1 . 2]" 1
949 1 68 ASP HB2 1 69 VAL MG2 5.230 . 8.660 3.627 2.686 4.679 . 0 0 "[ . 1 . 2]" 1
950 1 68 ASP HB2 1 89 LYS HA 2.950 . 4.110 2.690 2.311 4.157 0.047 8 0 "[ . 1 . 2]" 1
951 1 68 ASP HB2 1 90 LYS H 2.980 . 4.170 2.562 2.004 3.846 . 0 0 "[ . 1 . 2]" 1
952 1 68 ASP HB2 1 90 LYS HB2 4.280 . 6.760 3.721 2.851 5.275 . 0 0 "[ . 1 . 2]" 1
953 1 68 ASP HB2 1 90 LYS HB3 4.280 . 6.760 4.232 3.012 6.009 . 0 0 "[ . 1 . 2]" 1
954 1 68 ASP HB3 1 69 VAL H 2.790 . 3.790 3.234 2.302 3.826 0.036 7 0 "[ . 1 . 2]" 1
955 1 68 ASP HB3 1 69 VAL MG1 5.230 . 8.660 5.467 5.077 6.408 . 0 0 "[ . 1 . 2]" 1
956 1 68 ASP HB3 1 69 VAL MG2 5.230 . 8.660 3.106 2.624 4.428 . 0 0 "[ . 1 . 2]" 1
957 1 68 ASP HB3 1 89 LYS HA 2.950 . 4.110 3.580 2.230 4.240 0.130 6 0 "[ . 1 . 2]" 1
958 1 68 ASP HB3 1 90 LYS H 2.980 . 4.170 3.323 1.977 4.043 . 0 0 "[ . 1 . 2]" 1
959 1 68 ASP HB3 1 90 LYS HB2 4.280 . 6.760 3.794 2.695 5.530 . 0 0 "[ . 1 . 2]" 1
960 1 68 ASP HB3 1 90 LYS HB3 4.280 . 6.760 4.471 2.989 5.619 . 0 0 "[ . 1 . 2]" 1
961 1 69 VAL H 1 69 VAL HB 2.480 . 3.170 2.664 2.547 2.786 . 0 0 "[ . 1 . 2]" 1
962 1 69 VAL H 1 69 VAL MG1 3.090 . 4.380 3.841 3.731 3.916 . 0 0 "[ . 1 . 2]" 1
963 1 69 VAL H 1 69 VAL QG 2.830 . 3.860 2.828 2.560 3.006 . 0 0 "[ . 1 . 2]" 1
964 1 69 VAL H 1 69 VAL MG2 3.090 . 4.380 2.916 2.595 3.171 . 0 0 "[ . 1 . 2]" 1
965 1 69 VAL H 1 70 VAL H 3.650 . 5.500 4.407 4.380 4.438 . 0 0 "[ . 1 . 2]" 1
966 1 69 VAL H 1 87 ILE HA 3.480 . 5.160 4.986 4.789 5.162 0.002 2 0 "[ . 1 . 2]" 1
967 1 69 VAL H 1 88 TYR H 2.520 . 3.240 3.078 2.878 3.276 0.036 2 0 "[ . 1 . 2]" 1
968 1 69 VAL H 1 88 TYR HB2 3.590 . 5.380 3.647 3.445 3.925 . 0 0 "[ . 1 . 2]" 1
969 1 69 VAL H 1 88 TYR QB 3.380 . 4.970 3.487 3.317 3.714 . 0 0 "[ . 1 . 2]" 1
970 1 69 VAL H 1 88 TYR HB3 3.590 . 5.380 4.480 4.095 4.798 . 0 0 "[ . 1 . 2]" 1
971 1 69 VAL H 1 89 LYS HA 2.640 . 3.480 3.509 3.259 3.604 0.124 18 0 "[ . 1 . 2]" 1
972 1 69 VAL H 1 90 LYS H 3.650 . 5.500 4.929 4.375 5.196 . 0 0 "[ . 1 . 2]" 1
973 1 69 VAL HA 1 70 VAL H 2.140 . 2.490 2.220 2.175 2.246 . 0 0 "[ . 1 . 2]" 1
974 1 69 VAL HB 1 70 VAL H 2.930 . 4.070 4.083 3.890 4.177 0.107 11 0 "[ . 1 . 2]" 1
975 1 69 VAL HB 1 88 TYR H 3.070 . 4.350 3.422 3.000 4.094 . 0 0 "[ . 1 . 2]" 1
976 1 69 VAL HB 1 88 TYR HB2 3.110 . 4.420 2.289 1.764 3.043 0.036 14 0 "[ . 1 . 2]" 1
977 1 69 VAL HB 1 88 TYR QB 2.790 . 3.790 2.261 1.758 2.992 0.032 14 0 "[ . 1 . 2]" 1
978 1 69 VAL HB 1 88 TYR HB3 3.110 . 4.420 3.611 3.226 4.418 . 0 0 "[ . 1 . 2]" 1
979 1 69 VAL QG 1 70 VAL H 2.740 . 3.680 2.389 2.299 2.453 . 0 0 "[ . 1 . 2]" 1
980 1 69 VAL QG 1 71 VAL QG 5.630 . 9.460 2.585 2.288 2.887 . 0 0 "[ . 1 . 2]" 1
981 1 69 VAL QG 1 88 TYR QB 4.520 . 7.240 2.983 2.666 3.508 . 0 0 "[ . 1 . 2]" 1
982 1 69 VAL MG1 1 70 VAL H 3.120 . 4.440 2.413 2.328 2.480 . 0 0 "[ . 1 . 2]" 1
983 1 69 VAL MG1 1 88 TYR HB2 5.040 . 8.280 3.300 2.978 3.808 . 0 0 "[ . 1 . 2]" 1
984 1 69 VAL MG1 1 88 TYR HB3 5.040 . 8.280 4.604 4.306 5.209 . 0 0 "[ . 1 . 2]" 1
985 1 69 VAL MG2 1 70 VAL H 3.120 . 4.440 3.852 3.564 4.094 . 0 0 "[ . 1 . 2]" 1
986 1 69 VAL MG2 1 88 TYR HB2 5.040 . 8.280 3.747 3.145 4.509 . 0 0 "[ . 1 . 2]" 1
987 1 69 VAL MG2 1 88 TYR HB3 5.040 . 8.280 4.422 3.492 5.422 . 0 0 "[ . 1 . 2]" 1
988 1 70 VAL H 1 70 VAL HB 2.930 . 4.070 3.752 2.665 3.835 . 0 0 "[ . 1 . 2]" 1
989 1 70 VAL H 1 70 VAL MG1 3.010 . 4.230 3.010 2.814 3.873 . 0 0 "[ . 1 . 2]" 1
990 1 70 VAL H 1 70 VAL MG2 2.670 . 3.540 2.176 2.092 2.651 . 0 0 "[ . 1 . 2]" 1
991 1 70 VAL HA 1 71 VAL H 2.350 . 2.900 2.227 2.196 2.270 . 0 0 "[ . 1 . 2]" 1
992 1 70 VAL HA 1 85 ALA MB 3.970 . 6.150 4.636 4.134 5.034 . 0 0 "[ . 1 . 2]" 1
993 1 70 VAL HA 1 87 ILE HA 2.520 . 3.240 2.268 2.148 2.368 . 0 0 "[ . 1 . 2]" 1
994 1 70 VAL HA 1 87 ILE MD 3.400 . 5.000 5.043 4.909 5.101 0.101 20 0 "[ . 1 . 2]" 1
995 1 70 VAL HB 1 71 VAL H 2.870 . 3.950 2.988 2.888 3.968 0.018 8 0 "[ . 1 . 2]" 1
996 1 70 VAL MG1 1 71 VAL H 2.990 . 4.190 3.722 2.403 3.887 . 0 0 "[ . 1 . 2]" 1
997 1 70 VAL MG1 1 85 ALA MB 3.780 . 5.770 4.061 2.529 4.547 . 0 0 "[ . 1 . 2]" 1
998 1 70 VAL MG2 1 71 VAL H 3.270 . 4.750 3.859 3.747 4.027 . 0 0 "[ . 1 . 2]" 1
999 1 70 VAL MG2 1 72 LEU H 4.160 . 6.520 4.415 3.764 6.106 . 0 0 "[ . 1 . 2]" 1
1000 1 71 VAL H 1 71 VAL HB 2.500 . 3.210 2.725 2.648 2.810 . 0 0 "[ . 1 . 2]" 1
1001 1 71 VAL H 1 71 VAL MG1 3.200 . 4.600 3.887 3.855 3.926 . 0 0 "[ . 1 . 2]" 1
1002 1 71 VAL H 1 71 VAL QG 2.870 . 3.950 2.720 2.604 2.859 . 0 0 "[ . 1 . 2]" 1
1003 1 71 VAL H 1 71 VAL MG2 3.200 . 4.600 2.778 2.648 2.938 . 0 0 "[ . 1 . 2]" 1
1004 1 71 VAL H 1 72 LEU H 3.260 . 4.720 4.133 3.959 4.295 . 0 0 "[ . 1 . 2]" 1
1005 1 71 VAL H 1 85 ALA MB 2.890 . 3.980 3.537 3.101 3.968 . 0 0 "[ . 1 . 2]" 1
1006 1 71 VAL H 1 86 ASP H 2.520 . 3.240 3.260 3.124 3.383 0.143 1 0 "[ . 1 . 2]" 1
1007 1 71 VAL H 1 87 ILE HA 2.440 . 3.080 3.057 2.884 3.147 0.067 11 0 "[ . 1 . 2]" 1
1008 1 71 VAL H 1 87 ILE MD 4.060 . 6.330 5.887 5.775 5.966 . 0 0 "[ . 1 . 2]" 1
1009 1 71 VAL HA 1 72 LEU H 2.270 . 2.740 2.149 2.130 2.176 . 0 0 "[ . 1 . 2]" 1
1010 1 71 VAL HA 1 72 LEU MD1 4.160 . 6.520 5.258 5.145 5.335 . 0 0 "[ . 1 . 2]" 1
1011 1 71 VAL HA 1 86 ASP H 3.380 . 4.970 4.796 4.671 4.941 . 0 0 "[ . 1 . 2]" 1
1012 1 71 VAL HB 1 72 LEU H 3.650 . 5.500 4.304 4.179 4.370 . 0 0 "[ . 1 . 2]" 1
1013 1 71 VAL HB 1 86 ASP H 2.970 . 4.140 3.002 2.787 3.326 . 0 0 "[ . 1 . 2]" 1
1014 1 71 VAL HB 1 86 ASP HB2 3.120 . 4.450 3.875 2.210 4.493 0.043 1 0 "[ . 1 . 2]" 1
1015 1 71 VAL HB 1 86 ASP QB 2.930 . 4.070 2.756 2.174 3.786 . 0 0 "[ . 1 . 2]" 1
1016 1 71 VAL HB 1 86 ASP HB3 3.120 . 4.450 3.050 2.192 4.527 0.077 14 0 "[ . 1 . 2]" 1
1017 1 71 VAL QG 1 72 LEU H 3.110 . 4.430 2.923 2.633 3.160 . 0 0 "[ . 1 . 2]" 1
1018 1 71 VAL QG 1 73 THR HA 4.710 . 7.630 3.524 2.971 3.972 . 0 0 "[ . 1 . 2]" 1
1019 1 71 VAL QG 1 73 THR HB 4.930 . 8.070 4.737 3.422 5.273 . 0 0 "[ . 1 . 2]" 1
1020 1 71 VAL QG 1 86 ASP H 4.020 . 6.240 3.576 3.452 3.809 . 0 0 "[ . 1 . 2]" 1
1021 1 71 VAL QG 1 86 ASP QB 4.780 . 7.770 3.281 2.895 3.906 . 0 0 "[ . 1 . 2]" 1
1022 1 71 VAL MG1 1 72 LEU H 3.340 . 4.880 2.990 2.670 3.254 . 0 0 "[ . 1 . 2]" 1
1023 1 71 VAL MG1 1 86 ASP HB2 5.710 . 9.620 4.505 3.382 5.064 . 0 0 "[ . 1 . 2]" 1
1024 1 71 VAL MG1 1 86 ASP HB3 5.710 . 9.620 4.021 3.371 5.214 . 0 0 "[ . 1 . 2]" 1
1025 1 71 VAL MG2 1 72 LEU H 3.340 . 4.880 4.152 4.010 4.285 . 0 0 "[ . 1 . 2]" 1
1026 1 71 VAL MG2 1 86 ASP HB2 5.710 . 9.620 4.883 3.409 5.639 . 0 0 "[ . 1 . 2]" 1
1027 1 71 VAL MG2 1 86 ASP HB3 5.710 . 9.620 4.058 3.329 5.318 . 0 0 "[ . 1 . 2]" 1
1028 1 72 LEU H 1 72 LEU HB2 2.550 . 3.300 2.471 2.430 2.528 . 0 0 "[ . 1 . 2]" 1
1029 1 72 LEU H 1 72 LEU HB3 2.760 . 3.730 3.617 3.605 3.647 . 0 0 "[ . 1 . 2]" 1
1030 1 72 LEU H 1 72 LEU MD1 3.070 . 4.350 3.733 3.643 3.827 . 0 0 "[ . 1 . 2]" 1
1031 1 72 LEU H 1 72 LEU MD2 3.090 . 4.380 3.399 3.246 3.510 . 0 0 "[ . 1 . 2]" 1
1032 1 72 LEU H 1 72 LEU HG 2.410 . 3.020 2.455 2.257 2.627 . 0 0 "[ . 1 . 2]" 1
1033 1 72 LEU H 1 73 THR H 3.260 . 4.720 4.065 3.865 4.279 . 0 0 "[ . 1 . 2]" 1
1034 1 72 LEU HA 1 72 LEU MD1 3.690 . 5.590 3.855 3.836 3.880 . 0 0 "[ . 1 . 2]" 1
1035 1 72 LEU HA 1 72 LEU MD2 3.060 . 4.320 2.012 1.950 2.100 . 0 0 "[ . 1 . 2]" 1
1036 1 72 LEU HA 1 73 THR H 2.300 . 2.800 2.244 2.158 2.369 . 0 0 "[ . 1 . 2]" 1
1037 1 72 LEU HA 1 85 ALA HA 2.310 . 2.830 2.725 2.440 2.919 0.089 12 0 "[ . 1 . 2]" 1
1038 1 72 LEU HA 1 85 ALA MB 3.200 . 4.600 2.646 2.252 3.147 . 0 0 "[ . 1 . 2]" 1
1039 1 72 LEU HA 1 86 ASP H 2.890 . 3.980 3.869 3.645 4.043 0.063 8 0 "[ . 1 . 2]" 1
1040 1 72 LEU HB2 1 72 LEU HG 2.100 . 2.400 2.447 2.427 2.460 0.060 14 0 "[ . 1 . 2]" 1
1041 1 72 LEU HB2 1 73 THR H 3.460 . 5.130 4.461 4.424 4.489 . 0 0 "[ . 1 . 2]" 1
1042 1 72 LEU HB3 1 73 THR H 3.240 . 4.690 4.006 3.757 4.194 . 0 0 "[ . 1 . 2]" 1
1043 1 72 LEU HB3 1 74 SER H 3.120 . 4.450 3.788 3.075 4.454 0.004 16 0 "[ . 1 . 2]" 1
1044 1 72 LEU MD1 1 73 THR H 4.160 . 6.520 5.519 5.346 5.624 . 0 0 "[ . 1 . 2]" 1
1045 1 72 LEU MD1 1 73 THR HA 4.160 . 6.520 6.447 6.349 6.585 0.065 7 0 "[ . 1 . 2]" 1
1046 1 72 LEU MD2 1 73 THR H 3.210 . 4.630 3.907 3.706 4.056 . 0 0 "[ . 1 . 2]" 1
1047 1 72 LEU HG 1 73 THR H 3.650 . 5.500 5.222 5.174 5.286 . 0 0 "[ . 1 . 2]" 1
1048 1 73 THR H 1 73 THR HB 2.700 . 3.610 3.380 2.484 3.589 . 0 0 "[ . 1 . 2]" 1
1049 1 73 THR H 1 73 THR MG 2.950 . 4.100 2.888 2.215 3.668 . 0 0 "[ . 1 . 2]" 1
1050 1 73 THR H 1 74 SER H 2.410 . 3.020 2.442 2.280 2.670 . 0 0 "[ . 1 . 2]" 1
1051 1 73 THR H 1 85 ALA HA 2.450 . 3.110 2.234 1.767 2.868 0.023 7 0 "[ . 1 . 2]" 1
1052 1 73 THR H 1 85 ALA MB 3.150 . 4.500 3.516 3.046 4.215 . 0 0 "[ . 1 . 2]" 1
1053 1 73 THR H 1 86 ASP H 2.520 . 3.240 3.158 2.818 3.359 0.119 8 0 "[ . 1 . 2]" 1
1054 1 73 THR HA 1 74 SER H 2.670 . 3.550 3.407 3.186 3.535 . 0 0 "[ . 1 . 2]" 1
1055 1 73 THR HB 1 74 SER H 2.730 . 3.670 3.545 2.569 3.933 0.263 12 0 "[ . 1 . 2]" 1
1056 1 73 THR MG 1 74 SER H 3.300 . 4.810 4.067 2.364 4.429 . 0 0 "[ . 1 . 2]" 1
1057 1 73 THR MG 1 86 ASP H 2.930 . 4.070 3.748 3.108 4.230 0.160 1 0 "[ . 1 . 2]" 1
1058 1 74 SER H 1 75 GLY H 3.650 . 5.500 4.470 4.183 4.640 . 0 0 "[ . 1 . 2]" 1
1059 1 74 SER H 1 85 ALA HA 3.310 . 4.820 3.543 2.972 4.022 . 0 0 "[ . 1 . 2]" 1
1060 1 74 SER HA 1 75 GLY H 2.310 . 2.830 2.461 2.114 2.954 0.124 3 0 "[ . 1 . 2]" 1
1061 1 74 SER QB 1 75 GLY H 2.970 . 4.150 2.512 1.755 3.649 0.035 3 0 "[ . 1 . 2]" 1
1062 1 74 SER QB 1 81 ILE MD 4.520 . 7.250 5.814 4.080 7.347 0.097 5 0 "[ . 1 . 2]" 1
1063 1 74 SER QB 1 84 THR H 3.310 . 4.830 3.224 1.764 4.811 0.026 1 0 "[ . 1 . 2]" 1
1064 1 74 SER QB 1 84 THR MG 4.600 . 7.400 5.214 3.284 6.897 . 0 0 "[ . 1 . 2]" 1
1065 1 75 GLY H 1 76 GLN H 2.860 . 3.920 3.505 2.275 4.286 0.366 7 0 "[ . 1 . 2]" 1
1066 1 75 GLY H 1 84 THR H 2.790 . 3.790 3.830 3.402 3.948 0.158 20 0 "[ . 1 . 2]" 1
1067 1 76 GLN H 1 76 GLN HB2 2.780 . 3.760 2.757 2.279 3.585 . 0 0 "[ . 1 . 2]" 1
1068 1 76 GLN H 1 76 GLN QB 2.650 . 3.510 2.557 2.196 3.261 . 0 0 "[ . 1 . 2]" 1
1069 1 76 GLN H 1 76 GLN HB3 2.780 . 3.760 3.221 2.510 4.044 0.284 11 0 "[ . 1 . 2]" 1
1070 1 76 GLN H 1 76 GLN QG 3.980 . 6.170 3.738 2.821 4.213 . 0 0 "[ . 1 . 2]" 1
1071 1 76 GLN H 1 77 THR H 2.640 . 3.480 3.100 1.800 3.852 0.372 6 0 "[ . 1 . 2]" 1
1072 1 76 GLN HA 1 77 THR H 2.640 . 3.480 2.828 2.159 3.540 0.060 9 0 "[ . 1 . 2]" 1
1073 1 76 GLN QB 1 77 THR H 2.980 . 4.160 3.361 1.829 3.980 . 0 0 "[ . 1 . 2]" 1
1074 1 76 GLN HB2 1 77 THR H 3.110 . 4.420 3.978 1.870 4.561 0.141 20 0 "[ . 1 . 2]" 1
1075 1 76 GLN HB3 1 77 THR H 3.110 . 4.420 3.764 1.954 4.432 0.012 15 0 "[ . 1 . 2]" 1
1076 1 76 GLN QG 1 77 THR H 3.920 . 6.040 4.120 3.228 4.931 . 0 0 "[ . 1 . 2]" 1
1077 1 77 THR H 1 77 THR HB 2.890 . 3.980 3.042 2.620 3.710 . 0 0 "[ . 1 . 2]" 1
1078 1 77 THR H 1 77 THR MG 2.960 . 4.130 3.622 2.705 4.004 . 0 0 "[ . 1 . 2]" 1
1079 1 77 THR H 1 78 GLU H 2.660 . 3.520 3.174 2.167 3.784 0.264 5 0 "[ . 1 . 2]" 1
1080 1 77 THR HB 1 78 GLU H 3.140 . 4.480 3.178 1.718 4.429 0.082 6 0 "[ . 1 . 2]" 1
1081 1 77 THR MG 1 78 GLU H 3.510 . 5.220 3.457 2.467 4.234 . 0 0 "[ . 1 . 2]" 1
1082 1 77 THR MG 1 79 ASN H 3.400 . 5.000 3.563 2.663 5.232 0.232 20 0 "[ . 1 . 2]" 1
1083 1 78 GLU H 1 78 GLU HB2 2.790 . 3.790 2.948 2.178 3.572 . 0 0 "[ . 1 . 2]" 1
1084 1 78 GLU H 1 78 GLU QB 2.650 . 3.500 2.700 2.157 3.061 . 0 0 "[ . 1 . 2]" 1
1085 1 78 GLU H 1 78 GLU HB3 2.790 . 3.790 3.388 2.688 3.854 0.064 18 0 "[ . 1 . 2]" 1
1086 1 78 GLU H 1 78 GLU QG 3.520 . 5.240 3.723 2.374 4.429 . 0 0 "[ . 1 . 2]" 1
1087 1 78 GLU H 1 79 ASN H 2.750 . 3.700 2.864 2.031 3.781 0.081 12 0 "[ . 1 . 2]" 1
1088 1 78 GLU HA 1 81 ILE MD 3.650 . 5.500 4.389 3.275 5.528 0.028 5 0 "[ . 1 . 2]" 1
1089 1 78 GLU QB 1 79 ASN H 2.690 . 3.590 2.417 1.752 3.363 0.038 1 0 "[ . 1 . 2]" 1
1090 1 78 GLU QB 1 81 ILE MG 4.180 . 6.560 4.533 3.474 6.198 . 0 0 "[ . 1 . 2]" 1
1091 1 78 GLU HB2 1 79 ASN H 2.810 . 3.830 3.417 2.403 3.848 0.018 7 0 "[ . 1 . 2]" 1
1092 1 78 GLU HB3 1 79 ASN H 2.810 . 3.830 2.734 1.757 4.001 0.171 5 0 "[ . 1 . 2]" 1
1093 1 78 GLU QG 1 79 ASN H 3.760 . 5.730 3.682 2.698 4.765 . 0 0 "[ . 1 . 2]" 1
1094 1 79 ASN H 1 79 ASN HB2 2.610 . 3.420 2.465 2.269 2.821 . 0 0 "[ . 1 . 2]" 1
1095 1 79 ASN H 1 79 ASN QB 2.490 . 3.180 2.261 2.179 2.465 . 0 0 "[ . 1 . 2]" 1
1096 1 79 ASN H 1 79 ASN HB3 2.610 . 3.420 2.717 2.448 3.572 0.152 16 0 "[ . 1 . 2]" 1
1097 1 79 ASN H 1 79 ASN HD21 3.650 . 5.500 4.429 4.150 4.713 . 0 0 "[ . 1 . 2]" 1
1098 1 79 ASN H 1 79 ASN QD 3.460 . 5.130 4.250 4.038 4.484 . 0 0 "[ . 1 . 2]" 1
1099 1 79 ASN H 1 79 ASN HD22 3.650 . 5.500 5.559 4.623 5.823 0.323 20 0 "[ . 1 . 2]" 1
1100 1 79 ASN H 1 80 LYS H 2.560 . 3.330 2.813 2.139 3.355 0.025 9 0 "[ . 1 . 2]" 1
1101 1 79 ASN HB2 1 80 LYS H 2.860 . 3.920 3.493 1.992 4.036 0.116 19 0 "[ . 1 . 2]" 1
1102 1 79 ASN HB3 1 80 LYS H 2.860 . 3.920 2.364 1.751 3.387 0.049 20 0 "[ . 1 . 2]" 1
1103 1 80 LYS H 1 80 LYS QD 3.690 . 5.580 3.972 3.525 4.348 . 0 0 "[ . 1 . 2]" 1
1104 1 80 LYS H 1 80 LYS HG2 2.580 . 3.360 2.117 1.799 2.548 0.001 12 0 "[ . 1 . 2]" 1
1105 1 80 LYS H 1 80 LYS QG 2.430 . 3.060 2.081 1.780 2.482 0.020 12 0 "[ . 1 . 2]" 1
1106 1 80 LYS H 1 80 LYS HG3 2.580 . 3.360 3.164 2.780 3.438 0.078 8 0 "[ . 1 . 2]" 1
1107 1 80 LYS H 1 81 ILE H 3.170 . 4.540 3.046 1.771 4.439 0.029 2 0 "[ . 1 . 2]" 1
1108 1 80 LYS HA 1 80 LYS QD 3.380 . 4.960 4.382 4.227 4.577 . 0 0 "[ . 1 . 2]" 1
1109 1 80 LYS HA 1 80 LYS HG2 2.970 . 4.140 3.709 3.581 3.860 . 0 0 "[ . 1 . 2]" 1
1110 1 80 LYS HA 1 80 LYS HG3 2.970 . 4.140 3.774 3.655 3.843 . 0 0 "[ . 1 . 2]" 1
1111 1 80 LYS HA 1 81 ILE H 2.420 . 3.050 2.701 2.087 3.225 0.175 10 0 "[ . 1 . 2]" 1
1112 1 80 LYS QD 1 81 ILE H 4.090 . 6.380 5.420 4.578 5.847 . 0 0 "[ . 1 . 2]" 1
1113 1 80 LYS QG 1 81 ILE H 3.040 . 4.280 3.683 2.902 4.124 . 0 0 "[ . 1 . 2]" 1
1114 1 80 LYS HG2 1 81 ILE H 3.140 . 4.480 4.274 3.396 4.797 0.317 16 0 "[ . 1 . 2]" 1
1115 1 80 LYS HG3 1 81 ILE H 3.140 . 4.480 4.059 3.150 4.623 0.143 12 0 "[ . 1 . 2]" 1
1116 1 81 ILE H 1 81 ILE HB 2.900 . 4.010 3.693 2.902 3.944 . 0 0 "[ . 1 . 2]" 1
1117 1 81 ILE H 1 81 ILE MD 3.260 . 4.720 3.956 3.518 4.368 . 0 0 "[ . 1 . 2]" 1
1118 1 81 ILE H 1 81 ILE HG12 2.660 . 3.520 2.546 1.815 3.382 . 0 0 "[ . 1 . 2]" 1
1119 1 81 ILE H 1 81 ILE QG 2.520 . 3.250 2.268 1.761 2.722 0.029 16 0 "[ . 1 . 2]" 1
1120 1 81 ILE H 1 81 ILE HG13 2.660 . 3.520 2.838 1.782 3.103 0.018 16 0 "[ . 1 . 2]" 1
1121 1 81 ILE H 1 81 ILE MG 2.980 . 4.160 3.220 2.234 3.961 . 0 0 "[ . 1 . 2]" 1
1122 1 81 ILE H 1 82 HIS H 3.240 . 4.690 4.334 4.091 4.556 . 0 0 "[ . 1 . 2]" 1
1123 1 81 ILE HA 1 81 ILE HG12 2.730 . 3.670 3.290 2.649 3.718 0.048 18 0 "[ . 1 . 2]" 1
1124 1 81 ILE HA 1 81 ILE QG 2.620 . 3.450 3.009 2.536 3.308 . 0 0 "[ . 1 . 2]" 1
1125 1 81 ILE HA 1 81 ILE HG13 2.730 . 3.670 3.538 3.135 3.747 0.077 1 0 "[ . 1 . 2]" 1
1126 1 81 ILE HA 1 82 HIS H 2.250 . 2.710 2.204 2.059 3.107 0.397 5 0 "[ . 1 . 2]" 1
1127 1 81 ILE HB 1 82 HIS H 2.610 . 3.420 3.306 1.773 3.603 0.183 10 0 "[ . 1 . 2]" 1
1128 1 81 ILE MD 1 82 HIS H 4.160 . 6.520 4.881 3.709 5.278 . 0 0 "[ . 1 . 2]" 1
1129 1 81 ILE MD 1 83 GLY QA 4.600 . 7.400 4.775 3.171 6.345 . 0 0 "[ . 1 . 2]" 1
1130 1 81 ILE QG 1 82 HIS H 3.340 . 4.880 4.176 3.724 4.355 . 0 0 "[ . 1 . 2]" 1
1131 1 81 ILE HG12 1 82 HIS H 3.650 . 5.500 4.865 4.275 5.246 . 0 0 "[ . 1 . 2]" 1
1132 1 81 ILE HG13 1 82 HIS H 3.650 . 5.500 4.648 4.090 5.059 . 0 0 "[ . 1 . 2]" 1
1133 1 81 ILE MG 1 82 HIS H 3.030 . 4.260 3.063 1.745 3.905 0.055 5 0 "[ . 1 . 2]" 1
1134 1 82 HIS H 1 82 HIS HB2 2.660 . 3.520 3.076 2.467 3.621 0.101 19 0 "[ . 1 . 2]" 1
1135 1 82 HIS H 1 82 HIS HB3 2.660 . 3.520 3.020 2.447 3.681 0.161 1 0 "[ . 1 . 2]" 1
1136 1 82 HIS H 1 83 GLY H 3.650 . 5.500 2.764 1.862 4.078 . 0 0 "[ . 1 . 2]" 1
1137 1 82 HIS HA 1 82 HIS HD2 3.420 . 5.040 3.219 2.507 4.598 . 0 0 "[ . 1 . 2]" 1
1138 1 82 HIS HA 1 83 GLY H 2.500 . 3.210 2.632 2.173 3.278 0.068 19 0 "[ . 1 . 2]" 1
1139 1 82 HIS QB 1 83 GLY H 3.070 . 4.340 3.891 3.740 4.027 . 0 0 "[ . 1 . 2]" 1
1140 1 82 HIS HB2 1 83 GLY H 3.180 . 4.570 4.481 4.156 4.611 0.041 4 0 "[ . 1 . 2]" 1
1141 1 82 HIS HB3 1 83 GLY H 3.180 . 4.570 4.284 4.037 4.492 . 0 0 "[ . 1 . 2]" 1
1142 1 83 GLY QA 1 84 THR H 2.250 . 2.700 2.140 2.039 2.257 . 0 0 "[ . 1 . 2]" 1
1143 1 83 GLY HA2 1 84 THR H 2.360 . 2.930 2.257 2.072 2.788 . 0 0 "[ . 1 . 2]" 1
1144 1 83 GLY HA3 1 84 THR H 2.360 . 2.930 2.863 2.301 3.079 0.149 19 0 "[ . 1 . 2]" 1
1145 1 84 THR H 1 84 THR HB 2.830 . 3.860 3.546 2.868 3.812 . 0 0 "[ . 1 . 2]" 1
1146 1 84 THR H 1 84 THR MG 2.840 . 3.880 3.285 2.727 4.012 0.132 8 0 "[ . 1 . 2]" 1
1147 1 84 THR H 1 85 ALA H 3.550 . 5.310 4.407 4.257 4.495 . 0 0 "[ . 1 . 2]" 1
1148 1 84 THR HA 1 85 ALA H 2.220 . 2.650 2.331 2.215 2.587 . 0 0 "[ . 1 . 2]" 1
1149 1 84 THR HB 1 85 ALA H 2.580 . 3.360 2.869 2.090 3.641 0.281 13 0 "[ . 1 . 2]" 1
1150 1 84 THR MG 1 85 ALA H 3.130 . 4.470 3.219 2.105 4.006 . 0 0 "[ . 1 . 2]" 1
1151 1 85 ALA H 1 86 ASP H 3.650 . 5.500 4.261 4.127 4.390 . 0 0 "[ . 1 . 2]" 1
1152 1 85 ALA HA 1 86 ASP H 2.190 . 2.590 2.183 2.136 2.251 . 0 0 "[ . 1 . 2]" 1
1153 1 85 ALA MB 1 86 ASP H 2.650 . 3.510 2.961 2.794 3.008 . 0 0 "[ . 1 . 2]" 1
1154 1 86 ASP H 1 86 ASP HB2 2.640 . 3.480 2.852 2.402 3.635 0.155 7 0 "[ . 1 . 2]" 1
1155 1 86 ASP H 1 86 ASP QB 2.540 . 3.290 2.508 2.369 3.027 . 0 0 "[ . 1 . 2]" 1
1156 1 86 ASP H 1 86 ASP HB3 2.640 . 3.480 2.883 2.543 3.618 0.138 20 0 "[ . 1 . 2]" 1
1157 1 86 ASP HA 1 87 ILE H 2.190 . 2.590 2.144 2.102 2.191 . 0 0 "[ . 1 . 2]" 1
1158 1 86 ASP HA 1 87 ILE QG 3.650 . 5.510 3.638 3.509 3.733 . 0 0 "[ . 1 . 2]" 1
1159 1 86 ASP HA 1 87 ILE MG 4.160 . 6.520 3.509 3.324 3.727 . 0 0 "[ . 1 . 2]" 1
1160 1 86 ASP QB 1 87 ILE H 2.810 . 3.830 3.617 3.193 3.813 . 0 0 "[ . 1 . 2]" 1
1161 1 86 ASP HB2 1 87 ILE H 3.000 . 4.200 4.198 3.334 4.437 0.237 12 0 "[ . 1 . 2]" 1
1162 1 86 ASP HB3 1 87 ILE H 3.000 . 4.200 4.009 3.404 4.207 0.007 6 0 "[ . 1 . 2]" 1
1163 1 87 ILE H 1 87 ILE HB 2.840 . 3.890 3.763 3.703 3.789 . 0 0 "[ . 1 . 2]" 1
1164 1 87 ILE H 1 87 ILE MD 2.930 . 4.070 3.761 3.680 3.808 . 0 0 "[ . 1 . 2]" 1
1165 1 87 ILE H 1 87 ILE HG12 2.470 . 3.140 2.085 1.982 2.153 . 0 0 "[ . 1 . 2]" 1
1166 1 87 ILE H 1 87 ILE HG13 2.470 . 3.140 3.029 2.898 3.146 0.006 4 0 "[ . 1 . 2]" 1
1167 1 87 ILE H 1 87 ILE MG 2.870 . 3.950 2.762 2.657 2.881 . 0 0 "[ . 1 . 2]" 1
1168 1 87 ILE HA 1 88 TYR H 2.170 . 2.550 2.269 2.228 2.297 . 0 0 "[ . 1 . 2]" 1
1169 1 87 ILE HB 1 88 TYR H 2.560 . 3.330 2.593 2.549 2.645 . 0 0 "[ . 1 . 2]" 1
1170 1 87 ILE MD 1 88 TYR H 3.400 . 5.000 4.511 4.445 4.594 . 0 0 "[ . 1 . 2]" 1
1171 1 87 ILE QG 1 88 TYR H 3.370 . 4.940 3.744 3.642 3.848 . 0 0 "[ . 1 . 2]" 1
1172 1 87 ILE HG12 1 88 TYR H 3.650 . 5.500 4.793 4.742 4.855 . 0 0 "[ . 1 . 2]" 1
1173 1 87 ILE HG13 1 88 TYR H 3.650 . 5.500 3.909 3.784 4.036 . 0 0 "[ . 1 . 2]" 1
1174 1 87 ILE MG 1 88 TYR H 3.130 . 4.470 3.658 3.559 3.791 . 0 0 "[ . 1 . 2]" 1
1175 1 88 TYR H 1 88 TYR HB2 2.780 . 3.760 2.651 2.556 2.790 . 0 0 "[ . 1 . 2]" 1
1176 1 88 TYR H 1 88 TYR QB 2.590 . 3.380 2.600 2.512 2.727 . 0 0 "[ . 1 . 2]" 1
1177 1 88 TYR H 1 88 TYR HB3 2.780 . 3.760 3.755 3.612 3.843 0.083 5 0 "[ . 1 . 2]" 1
1178 1 88 TYR H 1 89 LYS H 3.540 . 5.280 4.380 4.316 4.418 . 0 0 "[ . 1 . 2]" 1
1179 1 88 TYR HA 1 89 LYS H 2.220 . 2.650 2.241 2.169 2.324 . 0 0 "[ . 1 . 2]" 1
1180 1 88 TYR QB 1 89 LYS H 2.760 . 3.730 2.701 2.482 2.937 . 0 0 "[ . 1 . 2]" 1
1181 1 88 TYR HB2 1 89 LYS H 2.890 . 3.980 3.936 3.756 4.041 0.061 19 0 "[ . 1 . 2]" 1
1182 1 88 TYR HB3 1 89 LYS H 2.890 . 3.980 2.752 2.518 3.031 . 0 0 "[ . 1 . 2]" 1
1183 1 89 LYS H 1 89 LYS HB2 2.730 . 3.670 3.003 2.345 3.758 0.088 19 0 "[ . 1 . 2]" 1
1184 1 89 LYS H 1 89 LYS QB 2.620 . 3.440 2.476 2.289 2.814 . 0 0 "[ . 1 . 2]" 1
1185 1 89 LYS H 1 89 LYS HB3 2.730 . 3.670 2.940 2.375 3.662 . 0 0 "[ . 1 . 2]" 1
1186 1 89 LYS H 1 89 LYS HD2 3.650 . 5.500 4.778 4.341 5.522 0.022 7 0 "[ . 1 . 2]" 1
1187 1 89 LYS H 1 89 LYS HD3 3.650 . 5.500 5.051 4.349 5.479 . 0 0 "[ . 1 . 2]" 1
1188 1 89 LYS H 1 89 LYS QE 3.870 . 5.950 5.285 4.346 6.107 0.157 20 0 "[ . 1 . 2]" 1
1189 1 89 LYS H 1 89 LYS QG 3.700 . 5.610 3.294 2.223 4.027 . 0 0 "[ . 1 . 2]" 1
1190 1 89 LYS H 1 90 LYS H 3.650 . 5.500 4.465 4.377 4.526 . 0 0 "[ . 1 . 2]" 1
1191 1 89 LYS HA 1 89 LYS HD2 3.150 . 4.510 2.938 1.967 4.671 0.161 19 0 "[ . 1 . 2]" 1
1192 1 89 LYS HA 1 89 LYS HD3 3.150 . 4.510 3.732 2.835 4.754 0.244 9 0 "[ . 1 . 2]" 1
1193 1 89 LYS HA 1 90 LYS H 2.240 . 2.680 2.307 2.181 2.455 . 0 0 "[ . 1 . 2]" 1
1194 1 89 LYS HB2 1 90 LYS H 3.570 . 5.340 3.697 2.454 4.369 . 0 0 "[ . 1 . 2]" 1
1195 1 89 LYS HB3 1 90 LYS H 3.570 . 5.340 3.604 2.404 4.230 . 0 0 "[ . 1 . 2]" 1
1196 1 89 LYS QD 1 90 LYS H 3.840 . 5.880 3.129 1.954 4.784 . 0 0 "[ . 1 . 2]" 1
1197 1 89 LYS QG 1 90 LYS H 3.380 . 4.960 3.420 2.728 4.320 . 0 0 "[ . 1 . 2]" 1
1198 1 90 LYS H 1 90 LYS HB2 2.620 . 3.450 2.646 2.110 3.617 0.167 15 0 "[ . 1 . 2]" 1
1199 1 90 LYS H 1 90 LYS HB3 2.620 . 3.450 2.779 2.441 3.533 0.083 10 0 "[ . 1 . 2]" 1
1200 1 90 LYS H 1 90 LYS QD 3.690 . 5.580 4.130 2.796 4.784 . 0 0 "[ . 1 . 2]" 1
1201 1 90 LYS H 1 90 LYS HG2 3.200 . 4.600 3.928 2.140 4.500 . 0 0 "[ . 1 . 2]" 1
1202 1 90 LYS H 1 90 LYS QG 3.020 . 4.240 3.407 2.122 3.986 . 0 0 "[ . 1 . 2]" 1
1203 1 90 LYS H 1 90 LYS HG3 3.200 . 4.600 4.001 2.800 4.517 . 0 0 "[ . 1 . 2]" 1
1204 1 90 LYS H 1 91 LYS H 3.650 . 5.500 4.585 4.534 4.621 . 0 0 "[ . 1 . 2]" 1
1205 1 90 LYS HA 1 90 LYS QD 3.520 . 5.240 4.017 2.403 4.397 . 0 0 "[ . 1 . 2]" 1
1206 1 90 LYS HA 1 90 LYS HG2 2.860 . 3.920 3.043 2.233 3.745 . 0 0 "[ . 1 . 2]" 1
1207 1 90 LYS HA 1 90 LYS QG 2.770 . 3.740 2.579 2.209 3.348 . 0 0 "[ . 1 . 2]" 1
1208 1 90 LYS HA 1 90 LYS HG3 2.860 . 3.920 2.897 2.332 3.945 0.025 9 0 "[ . 1 . 2]" 1
1209 1 90 LYS HA 1 91 LYS H 2.250 . 2.710 2.238 2.153 2.424 . 0 0 "[ . 1 . 2]" 1
1210 1 90 LYS HB2 1 91 LYS H 2.950 . 4.110 3.810 2.306 4.223 0.113 20 0 "[ . 1 . 2]" 1
1211 1 90 LYS HB3 1 91 LYS H 2.950 . 4.110 3.674 2.592 4.126 0.016 3 0 "[ . 1 . 2]" 1
1212 1 90 LYS QD 1 91 LYS H 4.040 . 6.290 4.456 2.256 5.301 . 0 0 "[ . 1 . 2]" 1
1213 1 90 LYS QG 1 91 LYS H 2.930 . 4.060 2.900 2.308 3.576 . 0 0 "[ . 1 . 2]" 1
1214 1 90 LYS HG2 1 91 LYS H 3.010 . 4.230 3.268 2.361 4.430 0.200 12 0 "[ . 1 . 2]" 1
1215 1 90 LYS HG3 1 91 LYS H 3.010 . 4.230 3.501 2.781 4.490 0.260 10 0 "[ . 1 . 2]" 1
1216 1 91 LYS H 1 91 LYS HB2 2.450 . 3.110 2.374 2.265 2.575 . 0 0 "[ . 1 . 2]" 1
1217 1 91 LYS H 1 91 LYS HB3 2.840 . 3.890 3.596 3.547 3.693 . 0 0 "[ . 1 . 2]" 1
1218 1 91 LYS H 1 91 LYS HD2 3.650 . 5.500 4.392 4.029 5.088 . 0 0 "[ . 1 . 2]" 1
1219 1 91 LYS H 1 91 LYS HD3 3.650 . 5.500 4.635 4.063 4.967 . 0 0 "[ . 1 . 2]" 1
1220 1 91 LYS H 1 91 LYS HG2 3.170 . 4.540 3.847 3.457 4.192 . 0 0 "[ . 1 . 2]" 1
1221 1 91 LYS H 1 91 LYS HG3 2.470 . 3.140 2.746 2.361 3.151 0.011 10 0 "[ . 1 . 2]" 1
1222 1 91 LYS H 1 92 LEU H 3.400 . 5.000 4.473 4.314 4.585 . 0 0 "[ . 1 . 2]" 1
1223 1 91 LYS H 1 92 LEU HA 3.650 . 5.500 5.350 5.070 5.534 0.034 2 0 "[ . 1 . 2]" 1
1224 1 91 LYS HA 1 91 LYS HD2 3.350 . 4.910 4.744 4.644 4.965 0.055 7 0 "[ . 1 . 2]" 1
1225 1 91 LYS HA 1 91 LYS HD3 3.260 . 4.720 4.397 4.306 4.554 . 0 0 "[ . 1 . 2]" 1
1226 1 91 LYS HA 1 91 LYS HG2 2.560 . 3.330 2.523 2.440 2.723 . 0 0 "[ . 1 . 2]" 1
1227 1 91 LYS HA 1 91 LYS HG3 2.840 . 3.890 3.000 2.788 3.282 . 0 0 "[ . 1 . 2]" 1
1228 1 91 LYS HA 1 92 LEU H 2.380 . 2.960 2.590 2.417 2.751 . 0 0 "[ . 1 . 2]" 1
1229 1 91 LYS HB2 1 91 LYS QE 4.090 . 6.380 3.866 3.134 4.182 . 0 0 "[ . 1 . 2]" 1
1230 1 91 LYS HB2 1 92 LEU H 2.620 . 3.450 3.281 2.728 3.547 0.097 3 0 "[ . 1 . 2]" 1
1231 1 91 LYS HB3 1 91 LYS HD2 2.870 . 3.950 3.402 3.024 3.771 . 0 0 "[ . 1 . 2]" 1
1232 1 91 LYS HB3 1 91 LYS QE 4.090 . 6.380 3.364 2.060 4.139 . 0 0 "[ . 1 . 2]" 1
1233 1 91 LYS HB3 1 92 LEU H 2.620 . 3.450 1.948 1.729 2.156 0.061 4 0 "[ . 1 . 2]" 1
1234 1 91 LYS HD2 1 92 LEU H 3.650 . 5.500 5.311 5.007 5.535 0.035 20 0 "[ . 1 . 2]" 1
1235 1 91 LYS HD3 1 92 LEU H 2.980 . 4.170 4.236 3.898 4.495 0.325 11 0 "[ . 1 . 2]" 1
1236 1 91 LYS QE 1 93 GLU H 4.090 . 6.380 5.077 2.796 6.005 . 0 0 "[ . 1 . 2]" 1
1237 1 91 LYS HG2 1 92 LEU H 2.870 . 3.950 3.680 3.385 3.967 0.017 15 0 "[ . 1 . 2]" 1
1238 1 91 LYS HG2 1 93 GLU H 3.520 . 5.250 4.691 4.075 5.283 0.033 16 0 "[ . 1 . 2]" 1
1239 1 91 LYS HG3 1 92 LEU H 3.650 . 5.500 4.537 4.387 4.671 . 0 0 "[ . 1 . 2]" 1
1240 1 92 LEU H 1 92 LEU HB2 2.750 . 3.700 3.502 2.511 3.767 0.067 7 0 "[ . 1 . 2]" 1
1241 1 92 LEU H 1 92 LEU QB 2.600 . 3.410 2.803 2.466 3.012 . 0 0 "[ . 1 . 2]" 1
1242 1 92 LEU H 1 92 LEU HB3 2.750 . 3.700 3.083 2.680 3.662 . 0 0 "[ . 1 . 2]" 1
1243 1 92 LEU H 1 92 LEU MD1 3.520 . 5.250 3.529 2.656 4.041 . 0 0 "[ . 1 . 2]" 1
1244 1 92 LEU H 1 92 LEU QD 3.330 . 4.870 2.371 1.733 3.172 0.057 13 0 "[ . 1 . 2]" 1
1245 1 92 LEU H 1 92 LEU MD2 3.520 . 5.250 2.674 1.735 3.590 0.055 13 0 "[ . 1 . 2]" 1
1246 1 92 LEU H 1 92 LEU HG 2.380 . 2.960 2.349 1.771 3.029 0.069 10 0 "[ . 1 . 2]" 1
1247 1 92 LEU H 1 93 GLU H 2.140 . 2.490 2.267 2.010 2.638 0.148 17 0 "[ . 1 . 2]" 1
1248 1 92 LEU HA 1 92 LEU MD1 3.690 . 5.590 3.884 3.638 4.112 . 0 0 "[ . 1 . 2]" 1
1249 1 92 LEU HA 1 92 LEU MD2 3.690 . 5.590 3.570 2.065 4.080 . 0 0 "[ . 1 . 2]" 1
1250 1 92 LEU HA 1 92 LEU HG 2.780 . 3.760 3.617 3.149 3.749 . 0 0 "[ . 1 . 2]" 1
1251 1 92 LEU HA 1 93 GLU H 2.550 . 3.300 3.211 2.890 3.411 0.111 5 0 "[ . 1 . 2]" 1
1252 1 92 LEU HB2 1 93 GLU H 3.140 . 4.480 4.091 3.346 4.434 . 0 0 "[ . 1 . 2]" 1
1253 1 92 LEU HB3 1 93 GLU H 3.140 . 4.480 4.337 4.019 4.532 0.052 17 0 "[ . 1 . 2]" 1
1254 1 92 LEU MD1 1 93 GLU H 3.600 . 5.400 3.993 2.343 5.141 . 0 0 "[ . 1 . 2]" 1
1255 1 92 LEU MD2 1 93 GLU H 3.600 . 5.400 4.113 2.684 5.226 . 0 0 "[ . 1 . 2]" 1
1256 1 92 LEU HG 1 93 GLU H 3.110 . 4.420 3.486 2.495 4.500 0.080 12 0 "[ . 1 . 2]" 1
1257 1 93 GLU H 1 93 GLU HB2 2.810 . 3.830 2.665 2.155 3.571 . 0 0 "[ . 1 . 2]" 1
1258 1 93 GLU H 1 93 GLU QB 2.700 . 3.600 2.462 2.111 3.002 . 0 0 "[ . 1 . 2]" 1
1259 1 93 GLU H 1 93 GLU HB3 2.810 . 3.830 3.279 2.353 3.808 . 0 0 "[ . 1 . 2]" 1
1260 1 93 GLU H 1 93 GLU QG 3.670 . 5.550 3.110 1.737 4.194 0.053 17 0 "[ . 1 . 2]" 1
1261 1 93 GLU H 1 94 HIS H 3.070 . 4.350 3.947 2.495 4.519 0.169 18 0 "[ . 1 . 2]" 1
1262 1 93 GLU HA 1 94 HIS H 2.390 . 2.990 2.421 2.113 3.209 0.219 9 0 "[ . 1 . 2]" 1
1263 1 93 GLU HB2 1 94 HIS H 3.140 . 4.480 3.992 1.794 4.555 0.075 14 0 "[ . 1 . 2]" 1
1264 1 93 GLU HB3 1 94 HIS H 3.140 . 4.480 3.780 1.914 4.444 . 0 0 "[ . 1 . 2]" 1
1265 1 93 GLU QG 1 94 HIS H 4.090 . 6.380 3.952 1.788 4.832 0.012 12 0 "[ . 1 . 2]" 1
1266 1 94 HIS H 1 94 HIS QB 2.820 . 3.850 2.787 2.250 3.374 . 0 0 "[ . 1 . 2]" 1
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