NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
459045 |
2kvv   |
16795 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kvv
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 1305
_Distance_constraint_stats_list.Viol_count 449
_Distance_constraint_stats_list.Viol_total 322.898
_Distance_constraint_stats_list.Viol_max 0.216
_Distance_constraint_stats_list.Viol_rms 0.0063
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0360
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 GLN 0.203 0.065 20 0 "[ . 1 . 2]"
1 4 ILE 0.045 0.026 7 0 "[ . 1 . 2]"
1 5 ILE 0.464 0.144 19 0 "[ . 1 . 2]"
1 6 PHE 0.566 0.191 18 0 "[ . 1 . 2]"
1 7 ASN 0.312 0.191 18 0 "[ . 1 . 2]"
1 8 GLU 0.010 0.006 2 0 "[ . 1 . 2]"
1 9 GLU 0.102 0.043 9 0 "[ . 1 . 2]"
1 10 TRP 0.178 0.064 16 0 "[ . 1 . 2]"
1 11 MET 0.194 0.053 13 0 "[ . 1 . 2]"
1 12 VAL 0.069 0.026 8 0 "[ . 1 . 2]"
1 13 GLU 0.097 0.052 15 0 "[ . 1 . 2]"
1 14 LYS 1.899 0.135 15 0 "[ . 1 . 2]"
1 15 ALA 0.123 0.034 17 0 "[ . 1 . 2]"
1 16 LEU 0.360 0.067 11 0 "[ . 1 . 2]"
1 17 MET 0.086 0.025 2 0 "[ . 1 . 2]"
1 18 VAL 0.684 0.075 8 0 "[ . 1 . 2]"
1 19 ARG 0.155 0.053 13 0 "[ . 1 . 2]"
1 20 THR 0.152 0.048 15 0 "[ . 1 . 2]"
1 21 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 LEU 1.835 0.086 16 0 "[ . 1 . 2]"
1 23 GLY 0.526 0.067 5 0 "[ . 1 . 2]"
1 24 ALA 0.005 0.005 2 0 "[ . 1 . 2]"
1 25 ARG 0.402 0.067 5 0 "[ . 1 . 2]"
1 26 GLN 0.898 0.073 19 0 "[ . 1 . 2]"
1 27 ILE 0.372 0.054 2 0 "[ . 1 . 2]"
1 28 GLU 0.281 0.057 3 0 "[ . 1 . 2]"
1 29 SER 0.054 0.040 8 0 "[ . 1 . 2]"
1 30 TYR 0.082 0.022 10 0 "[ . 1 . 2]"
1 31 ARG 1.626 0.192 1 0 "[ . 1 . 2]"
1 32 GLN 0.040 0.040 8 0 "[ . 1 . 2]"
1 33 GLY 0.475 0.171 11 0 "[ . 1 . 2]"
1 34 ALA 0.107 0.043 10 0 "[ . 1 . 2]"
1 35 TRP 2.736 0.192 1 0 "[ . 1 . 2]"
1 36 ILE 0.823 0.101 14 0 "[ . 1 . 2]"
1 37 GLU 0.051 0.024 1 0 "[ . 1 . 2]"
1 38 GLY 0.024 0.024 1 0 "[ . 1 . 2]"
1 39 VAL 0.200 0.040 14 0 "[ . 1 . 2]"
1 40 HIS 0.799 0.101 14 0 "[ . 1 . 2]"
1 41 PHE 0.690 0.132 16 0 "[ . 1 . 2]"
1 42 LYS 0.383 0.132 16 0 "[ . 1 . 2]"
1 43 ARG 0.283 0.115 16 0 "[ . 1 . 2]"
1 44 VAL 1.004 0.134 16 0 "[ . 1 . 2]"
1 45 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLU 0.018 0.018 17 0 "[ . 1 . 2]"
1 50 LYS 0.559 0.216 4 0 "[ . 1 . 2]"
1 51 THR 1.577 0.216 4 0 "[ . 1 . 2]"
1 52 LEU 1.020 0.108 6 0 "[ . 1 . 2]"
1 53 ARG 0.692 0.134 19 0 "[ . 1 . 2]"
1 54 GLY 0.580 0.134 19 0 "[ . 1 . 2]"
1 55 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 THR 1.037 0.134 16 0 "[ . 1 . 2]"
1 57 TRP 0.349 0.076 14 0 "[ . 1 . 2]"
1 58 TYR 0.899 0.072 3 0 "[ . 1 . 2]"
1 59 ASN 0.561 0.149 16 0 "[ . 1 . 2]"
1 60 TYR 0.027 0.027 2 0 "[ . 1 . 2]"
1 61 PRO 0.080 0.043 9 0 "[ . 1 . 2]"
1 62 GLU 0.600 0.149 16 0 "[ . 1 . 2]"
1 63 ILE 1.518 0.086 16 0 "[ . 1 . 2]"
1 64 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 LYS 0.110 0.077 5 0 "[ . 1 . 2]"
1 66 PHE 0.122 0.034 5 0 "[ . 1 . 2]"
1 67 ILE 0.293 0.111 19 0 "[ . 1 . 2]"
1 68 ARG 0.291 0.111 19 0 "[ . 1 . 2]"
1 69 ASP 0.074 0.069 10 0 "[ . 1 . 2]"
1 70 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 LEU 0.151 0.063 18 0 "[ . 1 . 2]"
1 72 GLU 0.150 0.047 7 0 "[ . 1 . 2]"
1 73 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 GLN HA 1 3 GLN HG2 3.730 . 4.100 3.176 2.437 3.833 . 0 0 "[ . 1 . 2]" 1
2 1 3 GLN HA 1 3 GLN HG3 3.730 . 4.100 3.257 2.535 3.820 . 0 0 "[ . 1 . 2]" 1
3 1 3 GLN HA 1 4 ILE H 2.720 . 2.990 2.228 2.145 2.604 . 0 0 "[ . 1 . 2]" 1
4 1 3 GLN HA 1 4 ILE MD 4.420 . 4.860 4.358 4.068 4.879 0.019 12 0 "[ . 1 . 2]" 1
5 1 3 GLN HA 1 4 ILE QG 5.470 . 6.020 3.748 3.536 4.479 . 0 0 "[ . 1 . 2]" 1
6 1 3 GLN QB 1 4 ILE H 3.600 . 3.960 3.394 2.499 3.986 0.026 7 0 "[ . 1 . 2]" 1
7 1 3 GLN QB 1 5 ILE MD 3.980 . 4.380 2.850 1.963 3.839 . 0 0 "[ . 1 . 2]" 1
8 1 3 GLN HB2 1 4 ILE H 4.390 . 4.830 3.882 2.868 4.515 . 0 0 "[ . 1 . 2]" 1
9 1 3 GLN HB2 1 5 ILE MD 4.810 . 5.290 3.468 2.004 4.835 . 0 0 "[ . 1 . 2]" 1
10 1 3 GLN HB3 1 4 ILE H 4.390 . 4.830 3.948 2.547 4.435 . 0 0 "[ . 1 . 2]" 1
11 1 3 GLN HB3 1 5 ILE MD 4.810 . 5.290 3.462 2.360 4.844 . 0 0 "[ . 1 . 2]" 1
12 1 3 GLN QE 1 5 ILE MD 4.640 . 5.100 3.149 2.032 4.668 . 0 0 "[ . 1 . 2]" 1
13 1 3 GLN QE 1 5 ILE MG 5.810 . 6.390 5.402 3.070 6.455 0.065 20 0 "[ . 1 . 2]" 1
14 1 3 GLN QG 1 5 ILE MD 4.870 . 5.360 3.057 2.098 4.545 . 0 0 "[ . 1 . 2]" 1
15 1 3 GLN HG2 1 4 ILE H 6.000 . 6.600 4.234 2.636 5.300 . 0 0 "[ . 1 . 2]" 1
16 1 3 GLN HG2 1 5 ILE MD 5.600 . 6.160 3.722 2.169 5.476 . 0 0 "[ . 1 . 2]" 1
17 1 3 GLN HG3 1 4 ILE H 6.000 . 6.600 4.266 2.663 5.832 . 0 0 "[ . 1 . 2]" 1
18 1 3 GLN HG3 1 5 ILE MD 5.600 . 6.160 3.717 2.113 5.150 . 0 0 "[ . 1 . 2]" 1
19 1 4 ILE H 1 4 ILE HB 3.220 . 3.540 2.567 2.502 2.689 . 0 0 "[ . 1 . 2]" 1
20 1 4 ILE H 1 4 ILE MD 3.990 . 4.390 3.343 3.077 3.638 . 0 0 "[ . 1 . 2]" 1
21 1 4 ILE H 1 4 ILE HG12 4.140 . 4.550 2.340 2.063 2.763 . 0 0 "[ . 1 . 2]" 1
22 1 4 ILE H 1 4 ILE QG 3.480 . 3.830 2.318 2.051 2.722 . 0 0 "[ . 1 . 2]" 1
23 1 4 ILE H 1 4 ILE HG13 4.140 . 4.550 3.778 3.590 4.110 . 0 0 "[ . 1 . 2]" 1
24 1 4 ILE H 1 5 ILE H 4.850 . 5.330 4.151 3.483 4.583 . 0 0 "[ . 1 . 2]" 1
25 1 4 ILE H 1 5 ILE MD 5.700 . 6.270 4.188 2.249 5.749 . 0 0 "[ . 1 . 2]" 1
26 1 4 ILE HA 1 4 ILE MD 3.460 . 3.810 2.052 1.994 2.097 . 0 0 "[ . 1 . 2]" 1
27 1 4 ILE HA 1 4 ILE QG 3.630 . 3.990 2.973 2.936 3.019 . 0 0 "[ . 1 . 2]" 1
28 1 4 ILE HA 1 4 ILE MG 3.390 . 3.730 2.398 2.368 2.429 . 0 0 "[ . 1 . 2]" 1
29 1 4 ILE HA 1 5 ILE H 2.740 . 3.010 2.251 2.168 2.452 . 0 0 "[ . 1 . 2]" 1
30 1 4 ILE HB 1 4 ILE MD 3.270 . 3.600 3.247 3.242 3.252 . 0 0 "[ . 1 . 2]" 1
31 1 4 ILE MD 1 4 ILE MG 2.930 . 3.220 2.018 1.990 2.048 . 0 0 "[ . 1 . 2]" 1
32 1 4 ILE MD 1 5 ILE H 4.490 . 4.940 3.924 3.687 4.174 . 0 0 "[ . 1 . 2]" 1
33 1 4 ILE QG 1 4 ILE MG 3.150 . 3.470 2.305 2.292 2.319 . 0 0 "[ . 1 . 2]" 1
34 1 4 ILE QG 1 5 ILE H 5.410 . 5.950 4.837 4.638 4.886 . 0 0 "[ . 1 . 2]" 1
35 1 4 ILE MG 1 5 ILE H 3.670 . 4.040 3.369 2.489 3.850 . 0 0 "[ . 1 . 2]" 1
36 1 4 ILE MG 1 6 PHE H 4.870 . 5.360 3.931 2.414 4.852 . 0 0 "[ . 1 . 2]" 1
37 1 5 ILE H 1 5 ILE HB 3.270 . 3.600 2.579 2.417 2.871 . 0 0 "[ . 1 . 2]" 1
38 1 5 ILE H 1 5 ILE MD 4.210 . 4.630 2.920 1.793 4.295 0.007 20 0 "[ . 1 . 2]" 1
39 1 5 ILE H 1 5 ILE HG12 4.420 . 4.860 3.601 2.136 4.592 . 0 0 "[ . 1 . 2]" 1
40 1 5 ILE H 1 5 ILE QG 3.720 . 4.090 3.015 2.121 3.697 . 0 0 "[ . 1 . 2]" 1
41 1 5 ILE H 1 5 ILE HG13 4.420 . 4.860 3.580 2.482 4.264 . 0 0 "[ . 1 . 2]" 1
42 1 5 ILE H 1 5 ILE MG 4.270 . 4.700 3.828 3.759 3.952 . 0 0 "[ . 1 . 2]" 1
43 1 5 ILE H 1 6 PHE H 4.620 . 5.080 4.226 3.625 4.549 . 0 0 "[ . 1 . 2]" 1
44 1 5 ILE HA 1 5 ILE MD 3.700 . 4.070 2.895 2.048 3.872 . 0 0 "[ . 1 . 2]" 1
45 1 5 ILE HA 1 5 ILE HG12 4.180 . 4.600 3.274 2.524 3.691 . 0 0 "[ . 1 . 2]" 1
46 1 5 ILE HA 1 5 ILE QG 3.510 . 3.860 2.574 2.349 3.032 . 0 0 "[ . 1 . 2]" 1
47 1 5 ILE HA 1 5 ILE HG13 4.180 . 4.600 2.956 2.379 3.797 . 0 0 "[ . 1 . 2]" 1
48 1 5 ILE HA 1 5 ILE MG 3.220 . 3.540 2.438 2.325 2.537 . 0 0 "[ . 1 . 2]" 1
49 1 5 ILE HA 1 6 PHE H 2.840 . 3.120 2.204 2.137 2.432 . 0 0 "[ . 1 . 2]" 1
50 1 5 ILE HA 1 6 PHE QB 5.020 . 5.520 4.413 4.020 4.842 . 0 0 "[ . 1 . 2]" 1
51 1 5 ILE HB 1 5 ILE MD 3.180 . 3.500 2.650 2.326 3.249 . 0 0 "[ . 1 . 2]" 1
52 1 5 ILE HB 1 6 PHE H 5.480 . 6.030 4.355 3.956 4.487 . 0 0 "[ . 1 . 2]" 1
53 1 5 ILE MD 1 6 PHE H 6.000 . 6.600 4.599 3.672 5.591 . 0 0 "[ . 1 . 2]" 1
54 1 5 ILE QG 1 5 ILE MG 2.750 . 3.030 2.217 2.097 2.359 . 0 0 "[ . 1 . 2]" 1
55 1 5 ILE HG12 1 5 ILE MG 3.220 . 3.540 2.574 2.208 3.220 . 0 0 "[ . 1 . 2]" 1
56 1 5 ILE HG13 1 5 ILE MG 3.220 . 3.540 2.620 2.363 3.223 . 0 0 "[ . 1 . 2]" 1
57 1 5 ILE MG 1 6 PHE H 3.350 . 3.690 3.075 2.318 3.834 0.144 19 0 "[ . 1 . 2]" 1
58 1 5 ILE MG 1 6 PHE QB 5.100 . 5.610 4.161 2.423 5.128 . 0 0 "[ . 1 . 2]" 1
59 1 5 ILE MG 1 6 PHE QD 4.400 . 4.840 4.445 1.824 4.882 0.042 15 0 "[ . 1 . 2]" 1
60 1 6 PHE H 1 6 PHE HB2 3.930 . 4.320 2.928 2.440 3.575 . 0 0 "[ . 1 . 2]" 1
61 1 6 PHE H 1 6 PHE QB 3.210 . 3.530 2.738 2.403 3.368 . 0 0 "[ . 1 . 2]" 1
62 1 6 PHE H 1 6 PHE HB3 3.930 . 4.320 3.608 3.086 4.115 . 0 0 "[ . 1 . 2]" 1
63 1 6 PHE HA 1 6 PHE QD 3.300 . 3.630 2.665 2.063 3.061 . 0 0 "[ . 1 . 2]" 1
64 1 6 PHE HA 1 7 ASN H 3.390 . 3.730 2.569 2.136 3.586 . 0 0 "[ . 1 . 2]" 1
65 1 6 PHE HA 1 7 ASN QB 5.180 . 5.700 4.484 4.022 5.014 . 0 0 "[ . 1 . 2]" 1
66 1 6 PHE QB 1 7 ASN QB 4.780 . 5.260 4.732 3.925 5.451 0.191 18 0 "[ . 1 . 2]" 1
67 1 7 ASN H 1 7 ASN QB 3.700 . 4.070 2.693 2.241 3.376 . 0 0 "[ . 1 . 2]" 1
68 1 7 ASN H 1 8 GLU H 4.350 . 4.790 3.543 1.819 4.590 . 0 0 "[ . 1 . 2]" 1
69 1 7 ASN HA 1 7 ASN QD 4.200 . 4.620 3.270 1.772 4.340 0.028 13 0 "[ . 1 . 2]" 1
70 1 7 ASN HA 1 8 GLU H 3.190 . 3.510 2.588 2.135 3.516 0.006 2 0 "[ . 1 . 2]" 1
71 1 7 ASN QB 1 8 GLU H 4.370 . 4.810 3.517 2.129 4.047 . 0 0 "[ . 1 . 2]" 1
72 1 7 ASN HB2 1 8 GLU H 4.980 . 5.480 4.113 2.971 4.671 . 0 0 "[ . 1 . 2]" 1
73 1 7 ASN HB3 1 8 GLU H 4.980 . 5.480 3.966 2.165 4.616 . 0 0 "[ . 1 . 2]" 1
74 1 8 GLU H 1 8 GLU HB2 4.060 . 4.470 3.135 2.380 3.921 . 0 0 "[ . 1 . 2]" 1
75 1 8 GLU H 1 8 GLU HB3 4.060 . 4.470 3.452 2.469 4.077 . 0 0 "[ . 1 . 2]" 1
76 1 8 GLU H 1 8 GLU HG2 4.410 . 4.850 3.265 1.807 4.149 . 0 0 "[ . 1 . 2]" 1
77 1 8 GLU H 1 8 GLU QG 3.800 . 4.180 2.649 1.796 3.371 0.004 8 0 "[ . 1 . 2]" 1
78 1 8 GLU H 1 8 GLU HG3 4.410 . 4.850 3.173 1.835 4.402 . 0 0 "[ . 1 . 2]" 1
79 1 8 GLU H 1 9 GLU H 4.710 . 5.180 3.855 2.357 4.453 . 0 0 "[ . 1 . 2]" 1
80 1 8 GLU HA 1 8 GLU QG 3.600 . 3.960 2.901 2.375 3.552 . 0 0 "[ . 1 . 2]" 1
81 1 8 GLU HA 1 9 GLU H 3.440 . 3.780 2.390 2.130 3.000 . 0 0 "[ . 1 . 2]" 1
82 1 8 GLU QB 1 10 TRP HE1 4.020 . 4.420 2.647 1.860 4.145 . 0 0 "[ . 1 . 2]" 1
83 1 8 GLU HB2 1 10 TRP HE1 4.800 . 5.280 3.202 2.025 4.779 . 0 0 "[ . 1 . 2]" 1
84 1 8 GLU HB3 1 10 TRP HE1 4.800 . 5.280 3.206 1.876 5.010 . 0 0 "[ . 1 . 2]" 1
85 1 8 GLU QG 1 9 GLU H 5.170 . 5.690 4.266 3.713 4.763 . 0 0 "[ . 1 . 2]" 1
86 1 8 GLU HG2 1 9 GLU H 6.000 . 6.600 4.850 3.935 5.769 . 0 0 "[ . 1 . 2]" 1
87 1 8 GLU HG2 1 10 TRP HE1 6.000 . 6.600 4.119 2.133 6.222 . 0 0 "[ . 1 . 2]" 1
88 1 8 GLU HG3 1 9 GLU H 6.000 . 6.600 4.946 3.960 5.977 . 0 0 "[ . 1 . 2]" 1
89 1 8 GLU HG3 1 10 TRP HE1 6.000 . 6.600 4.279 2.439 6.406 . 0 0 "[ . 1 . 2]" 1
90 1 9 GLU H 1 9 GLU QB 3.450 . 3.790 2.461 2.262 2.740 . 0 0 "[ . 1 . 2]" 1
91 1 9 GLU H 1 9 GLU HG2 5.290 . 5.820 3.411 2.153 5.074 . 0 0 "[ . 1 . 2]" 1
92 1 9 GLU H 1 9 GLU QG 4.510 . 4.960 2.901 2.135 4.263 . 0 0 "[ . 1 . 2]" 1
93 1 9 GLU H 1 9 GLU HG3 5.290 . 5.820 3.614 2.282 4.583 . 0 0 "[ . 1 . 2]" 1
94 1 9 GLU H 1 10 TRP H 4.320 . 4.750 4.048 3.474 4.449 . 0 0 "[ . 1 . 2]" 1
95 1 9 GLU H 1 11 MET ME 5.880 . 6.470 5.256 4.610 6.135 . 0 0 "[ . 1 . 2]" 1
96 1 9 GLU H 1 61 PRO QD 4.630 . 5.090 2.750 2.002 3.855 . 0 0 "[ . 1 . 2]" 1
97 1 9 GLU H 1 61 PRO QG 4.260 . 4.690 2.953 2.164 3.982 . 0 0 "[ . 1 . 2]" 1
98 1 9 GLU HA 1 10 TRP H 3.460 . 3.810 2.269 2.157 2.619 . 0 0 "[ . 1 . 2]" 1
99 1 9 GLU HA 1 11 MET ME 6.000 . 6.600 4.108 3.327 4.576 . 0 0 "[ . 1 . 2]" 1
100 1 9 GLU HA 1 61 PRO QD 4.630 . 5.090 4.397 4.063 4.695 . 0 0 "[ . 1 . 2]" 1
101 1 9 GLU QB 1 10 TRP H 4.110 . 4.520 3.765 3.415 4.047 . 0 0 "[ . 1 . 2]" 1
102 1 9 GLU QB 1 11 MET ME 3.220 . 3.540 2.577 1.810 3.556 0.016 9 0 "[ . 1 . 2]" 1
103 1 9 GLU QB 1 60 TYR QD 5.160 . 5.680 2.857 2.181 3.599 . 0 0 "[ . 1 . 2]" 1
104 1 9 GLU QB 1 61 PRO QD 3.680 . 4.050 2.124 1.757 3.083 0.043 9 0 "[ . 1 . 2]" 1
105 1 9 GLU HB2 1 60 TYR H 6.000 . 6.600 3.910 2.852 5.855 . 0 0 "[ . 1 . 2]" 1
106 1 9 GLU HB2 1 60 TYR QD 6.000 . 6.600 3.207 2.211 4.331 . 0 0 "[ . 1 . 2]" 1
107 1 9 GLU HB3 1 60 TYR H 6.000 . 6.600 4.112 3.037 4.888 . 0 0 "[ . 1 . 2]" 1
108 1 9 GLU HB3 1 60 TYR QD 6.000 . 6.600 3.617 2.316 4.628 . 0 0 "[ . 1 . 2]" 1
109 1 9 GLU QG 1 61 PRO QD 5.180 . 5.700 3.362 2.653 4.021 . 0 0 "[ . 1 . 2]" 1
110 1 9 GLU HG2 1 10 TRP H 6.000 . 6.600 5.099 4.551 5.926 . 0 0 "[ . 1 . 2]" 1
111 1 9 GLU HG3 1 10 TRP H 6.000 . 6.600 5.139 3.197 6.002 . 0 0 "[ . 1 . 2]" 1
112 1 10 TRP H 1 10 TRP HB2 3.760 . 4.140 2.518 2.434 2.722 . 0 0 "[ . 1 . 2]" 1
113 1 10 TRP H 1 10 TRP HB3 3.760 . 4.140 3.671 3.623 3.806 . 0 0 "[ . 1 . 2]" 1
114 1 10 TRP H 1 10 TRP HD1 3.880 . 4.270 2.711 2.406 3.098 . 0 0 "[ . 1 . 2]" 1
115 1 10 TRP H 1 11 MET H 5.530 . 6.080 4.509 4.365 4.599 . 0 0 "[ . 1 . 2]" 1
116 1 10 TRP H 1 11 MET ME 4.620 . 5.080 4.480 3.831 4.907 . 0 0 "[ . 1 . 2]" 1
117 1 10 TRP H 1 11 MET QG 5.810 . 6.390 5.343 4.783 6.237 . 0 0 "[ . 1 . 2]" 1
118 1 10 TRP HA 1 10 TRP HE3 4.490 . 4.940 3.168 2.603 3.987 . 0 0 "[ . 1 . 2]" 1
119 1 10 TRP HA 1 11 MET H 3.050 . 3.360 2.208 2.166 2.293 . 0 0 "[ . 1 . 2]" 1
120 1 10 TRP HA 1 11 MET QG 5.810 . 6.390 3.805 3.501 4.854 . 0 0 "[ . 1 . 2]" 1
121 1 10 TRP HA 1 59 ASN HA 4.010 . 4.410 3.132 2.599 3.895 . 0 0 "[ . 1 . 2]" 1
122 1 10 TRP HA 1 59 ASN QD 5.810 . 6.390 5.710 4.466 6.442 0.052 4 0 "[ . 1 . 2]" 1
123 1 10 TRP HA 1 60 TYR H 4.150 . 4.570 3.448 2.825 3.914 . 0 0 "[ . 1 . 2]" 1
124 1 10 TRP QB 1 57 TRP HE3 5.810 . 6.390 2.508 1.774 3.485 0.026 13 0 "[ . 1 . 2]" 1
125 1 10 TRP HB2 1 11 MET H 6.000 . 6.600 4.164 3.887 4.349 . 0 0 "[ . 1 . 2]" 1
126 1 10 TRP HB3 1 11 MET H 6.000 . 6.600 3.238 2.867 3.581 . 0 0 "[ . 1 . 2]" 1
127 1 10 TRP HE3 1 11 MET H 4.970 . 5.470 3.976 3.530 4.488 . 0 0 "[ . 1 . 2]" 1
128 1 10 TRP HE3 1 42 LYS QD 5.810 . 6.390 4.643 3.612 6.454 0.064 16 0 "[ . 1 . 2]" 1
129 1 10 TRP HE3 1 42 LYS HG2 6.000 . 6.600 4.050 2.609 6.280 . 0 0 "[ . 1 . 2]" 1
130 1 10 TRP HE3 1 42 LYS HG3 6.000 . 6.600 4.796 3.462 5.426 . 0 0 "[ . 1 . 2]" 1
131 1 10 TRP HE3 1 57 TRP HB2 4.560 . 5.020 3.012 2.320 3.538 . 0 0 "[ . 1 . 2]" 1
132 1 10 TRP HE3 1 57 TRP HB3 4.560 . 5.020 2.790 2.245 3.559 . 0 0 "[ . 1 . 2]" 1
133 1 10 TRP HE3 1 57 TRP HD1 6.000 . 6.600 5.828 5.011 6.464 . 0 0 "[ . 1 . 2]" 1
134 1 10 TRP HE3 1 59 ASN HA 5.010 . 5.510 3.916 3.283 4.633 . 0 0 "[ . 1 . 2]" 1
135 1 10 TRP HZ3 1 41 PHE HA 5.200 . 5.720 2.836 1.818 4.462 . 0 0 "[ . 1 . 2]" 1
136 1 10 TRP HZ3 1 42 LYS H 4.510 . 4.960 3.095 2.361 4.519 . 0 0 "[ . 1 . 2]" 1
137 1 11 MET H 1 11 MET ME 5.810 . 6.390 4.024 3.511 4.330 . 0 0 "[ . 1 . 2]" 1
138 1 11 MET H 1 11 MET HG2 4.230 . 4.650 2.563 2.249 3.244 . 0 0 "[ . 1 . 2]" 1
139 1 11 MET H 1 11 MET QG 3.440 . 3.780 2.497 2.209 3.159 . 0 0 "[ . 1 . 2]" 1
140 1 11 MET H 1 11 MET HG3 4.230 . 4.650 3.465 3.140 4.355 . 0 0 "[ . 1 . 2]" 1
141 1 11 MET H 1 12 VAL H 5.850 . 6.430 4.399 4.296 4.472 . 0 0 "[ . 1 . 2]" 1
142 1 11 MET H 1 58 TYR HA 5.570 . 6.130 4.803 4.433 5.434 . 0 0 "[ . 1 . 2]" 1
143 1 11 MET H 1 59 ASN HA 6.000 . 6.600 4.339 3.786 5.145 . 0 0 "[ . 1 . 2]" 1
144 1 11 MET HA 1 11 MET ME 4.380 . 4.820 4.065 3.957 4.157 . 0 0 "[ . 1 . 2]" 1
145 1 11 MET HA 1 12 VAL H 3.050 . 3.360 2.336 2.235 2.504 . 0 0 "[ . 1 . 2]" 1
146 1 11 MET HA 1 12 VAL MG1 4.750 . 5.220 3.638 3.558 3.741 . 0 0 "[ . 1 . 2]" 1
147 1 11 MET HA 1 12 VAL MG2 4.730 . 5.200 4.015 3.862 4.212 . 0 0 "[ . 1 . 2]" 1
148 1 11 MET HA 1 15 ALA MB 4.270 . 4.700 3.742 3.424 4.106 . 0 0 "[ . 1 . 2]" 1
149 1 11 MET HA 1 57 TRP HE3 4.010 . 4.410 2.569 1.900 3.194 . 0 0 "[ . 1 . 2]" 1
150 1 11 MET HA 1 57 TRP HZ3 3.870 . 4.260 2.804 2.299 3.822 . 0 0 "[ . 1 . 2]" 1
151 1 11 MET QB 1 11 MET ME 2.970 . 3.270 1.939 1.883 2.011 . 0 0 "[ . 1 . 2]" 1
152 1 11 MET QB 1 12 VAL H 3.600 . 3.960 2.591 2.218 2.906 . 0 0 "[ . 1 . 2]" 1
153 1 11 MET QB 1 12 VAL MG2 4.260 . 4.690 3.574 3.199 3.881 . 0 0 "[ . 1 . 2]" 1
154 1 11 MET QB 1 15 ALA H 5.810 . 6.390 4.334 4.094 4.778 . 0 0 "[ . 1 . 2]" 1
155 1 11 MET QB 1 15 ALA MB 3.290 . 3.620 1.986 1.789 2.443 0.011 15 0 "[ . 1 . 2]" 1
156 1 11 MET QB 1 57 TRP HE3 5.810 . 6.390 4.253 3.802 4.710 . 0 0 "[ . 1 . 2]" 1
157 1 11 MET HB2 1 11 MET ME 3.780 . 4.160 3.104 2.953 3.382 . 0 0 "[ . 1 . 2]" 1
158 1 11 MET HB2 1 12 VAL H 4.330 . 4.760 2.636 2.237 2.982 . 0 0 "[ . 1 . 2]" 1
159 1 11 MET HB2 1 15 ALA MB 4.080 . 4.490 2.002 1.800 2.470 . 0 0 "[ . 1 . 2]" 1
160 1 11 MET HB3 1 11 MET ME 3.780 . 4.160 1.959 1.898 2.027 . 0 0 "[ . 1 . 2]" 1
161 1 11 MET HB3 1 12 VAL H 4.330 . 4.760 3.852 3.660 4.009 . 0 0 "[ . 1 . 2]" 1
162 1 11 MET HB3 1 15 ALA MB 4.080 . 4.490 3.339 3.088 3.855 . 0 0 "[ . 1 . 2]" 1
163 1 11 MET ME 1 11 MET HG2 3.620 . 3.980 2.629 2.432 3.397 . 0 0 "[ . 1 . 2]" 1
164 1 11 MET ME 1 11 MET HG3 3.620 . 3.980 3.258 2.428 3.410 . 0 0 "[ . 1 . 2]" 1
165 1 11 MET ME 1 15 ALA MB 3.750 . 4.130 3.674 3.210 4.120 . 0 0 "[ . 1 . 2]" 1
166 1 11 MET ME 1 16 LEU HA 4.610 . 5.070 3.978 3.602 4.223 . 0 0 "[ . 1 . 2]" 1
167 1 11 MET ME 1 16 LEU HB2 5.580 . 6.140 5.026 4.752 5.253 . 0 0 "[ . 1 . 2]" 1
168 1 11 MET ME 1 16 LEU MD2 3.810 . 4.190 3.514 3.144 3.784 . 0 0 "[ . 1 . 2]" 1
169 1 11 MET ME 1 19 ARG HD2 4.430 . 4.870 3.420 1.794 4.923 0.053 13 0 "[ . 1 . 2]" 1
170 1 11 MET ME 1 19 ARG QD 3.790 . 4.170 3.093 1.782 3.901 0.018 17 0 "[ . 1 . 2]" 1
171 1 11 MET ME 1 19 ARG HD3 4.430 . 4.870 3.894 2.703 4.900 0.030 19 0 "[ . 1 . 2]" 1
172 1 11 MET ME 1 19 ARG QG 3.890 . 4.280 2.376 1.859 4.039 . 0 0 "[ . 1 . 2]" 1
173 1 11 MET ME 1 20 THR MG 4.900 . 5.390 4.799 4.348 5.407 0.017 8 0 "[ . 1 . 2]" 1
174 1 11 MET ME 1 60 TYR H 4.660 . 5.130 3.801 3.065 4.778 . 0 0 "[ . 1 . 2]" 1
175 1 11 MET ME 1 60 TYR HA 4.870 . 5.360 4.257 3.643 5.284 . 0 0 "[ . 1 . 2]" 1
176 1 11 MET ME 1 60 TYR HB2 3.710 . 4.080 2.192 1.773 3.220 0.027 2 0 "[ . 1 . 2]" 1
177 1 11 MET ME 1 60 TYR HB3 3.700 . 4.070 2.994 2.623 3.828 . 0 0 "[ . 1 . 2]" 1
178 1 11 MET ME 1 60 TYR QD 3.990 . 4.390 3.231 2.738 4.012 . 0 0 "[ . 1 . 2]" 1
179 1 11 MET ME 1 60 TYR QE 6.000 . 6.600 4.276 3.846 4.815 . 0 0 "[ . 1 . 2]" 1
180 1 11 MET QG 1 12 VAL H 4.810 . 5.290 3.762 3.217 4.082 . 0 0 "[ . 1 . 2]" 1
181 1 11 MET QG 1 15 ALA MB 5.090 . 5.600 3.122 2.227 3.648 . 0 0 "[ . 1 . 2]" 1
182 1 11 MET QG 1 16 LEU HA 5.810 . 6.390 2.836 2.444 3.204 . 0 0 "[ . 1 . 2]" 1
183 1 11 MET QG 1 16 LEU HB2 5.810 . 6.390 2.357 2.117 2.697 . 0 0 "[ . 1 . 2]" 1
184 1 11 MET QG 1 16 LEU MD2 5.370 . 5.910 2.420 2.154 2.863 . 0 0 "[ . 1 . 2]" 1
185 1 11 MET QG 1 16 LEU HG 5.810 . 6.390 3.803 3.536 4.322 . 0 0 "[ . 1 . 2]" 1
186 1 11 MET QG 1 58 TYR QD 5.160 . 5.680 4.011 3.565 4.403 . 0 0 "[ . 1 . 2]" 1
187 1 11 MET HG2 1 15 ALA MB 5.850 . 6.430 4.177 2.858 4.843 . 0 0 "[ . 1 . 2]" 1
188 1 11 MET HG3 1 15 ALA MB 5.850 . 6.430 3.225 2.318 3.773 . 0 0 "[ . 1 . 2]" 1
189 1 12 VAL H 1 12 VAL HB 4.160 . 4.580 3.650 3.628 3.677 . 0 0 "[ . 1 . 2]" 1
190 1 12 VAL H 1 12 VAL MG1 3.180 . 3.500 2.275 2.160 2.477 . 0 0 "[ . 1 . 2]" 1
191 1 12 VAL H 1 12 VAL MG2 2.950 . 3.250 2.028 1.934 2.102 . 0 0 "[ . 1 . 2]" 1
192 1 12 VAL H 1 13 GLU H 6.000 . 6.600 4.603 4.517 4.647 . 0 0 "[ . 1 . 2]" 1
193 1 12 VAL H 1 15 ALA H 5.320 . 5.850 4.066 3.906 4.357 . 0 0 "[ . 1 . 2]" 1
194 1 12 VAL H 1 15 ALA MB 3.660 . 4.030 2.728 2.443 2.906 . 0 0 "[ . 1 . 2]" 1
195 1 12 VAL H 1 57 TRP HZ3 5.060 . 5.570 4.060 3.249 5.226 . 0 0 "[ . 1 . 2]" 1
196 1 12 VAL HA 1 12 VAL MG1 3.110 . 3.420 2.367 2.333 2.408 . 0 0 "[ . 1 . 2]" 1
197 1 12 VAL HA 1 13 GLU H 3.480 . 3.830 2.507 2.393 2.626 . 0 0 "[ . 1 . 2]" 1
198 1 12 VAL HA 1 13 GLU HA 6.000 . 6.600 4.283 4.245 4.321 . 0 0 "[ . 1 . 2]" 1
199 1 12 VAL HA 1 13 GLU HB2 6.000 . 6.600 4.663 4.494 4.866 . 0 0 "[ . 1 . 2]" 1
200 1 12 VAL HA 1 13 GLU HB3 6.000 . 6.600 5.065 4.949 5.224 . 0 0 "[ . 1 . 2]" 1
201 1 12 VAL HA 1 57 TRP HA 4.350 . 4.790 2.926 2.455 3.292 . 0 0 "[ . 1 . 2]" 1
202 1 12 VAL HA 1 58 TYR H 6.000 . 6.600 3.488 2.771 3.981 . 0 0 "[ . 1 . 2]" 1
203 1 12 VAL HB 1 13 GLU H 3.170 . 3.490 2.233 2.037 2.413 . 0 0 "[ . 1 . 2]" 1
204 1 12 VAL HB 1 14 LYS H 3.630 . 3.990 3.375 3.132 3.642 . 0 0 "[ . 1 . 2]" 1
205 1 12 VAL MG1 1 13 GLU H 4.330 . 4.760 3.642 3.549 3.728 . 0 0 "[ . 1 . 2]" 1
206 1 12 VAL MG1 1 14 LYS H 6.000 . 6.600 4.763 4.593 4.946 . 0 0 "[ . 1 . 2]" 1
207 1 12 VAL MG1 1 15 ALA H 6.000 . 6.600 4.668 4.553 4.841 . 0 0 "[ . 1 . 2]" 1
208 1 12 VAL MG1 1 55 THR MG 3.630 . 3.990 2.743 1.958 3.784 . 0 0 "[ . 1 . 2]" 1
209 1 12 VAL MG1 1 57 TRP HD1 5.990 . 6.590 4.436 3.219 5.568 . 0 0 "[ . 1 . 2]" 1
210 1 12 VAL MG1 1 57 TRP HZ2 5.770 . 6.350 3.741 3.118 4.439 . 0 0 "[ . 1 . 2]" 1
211 1 12 VAL MG1 1 58 TYR QD 6.000 . 6.600 5.028 4.343 6.117 . 0 0 "[ . 1 . 2]" 1
212 1 12 VAL MG2 1 13 GLU H 3.990 . 4.390 3.217 2.949 3.430 . 0 0 "[ . 1 . 2]" 1
213 1 12 VAL MG2 1 14 LYS H 3.190 . 3.510 2.578 2.217 2.895 . 0 0 "[ . 1 . 2]" 1
214 1 12 VAL MG2 1 14 LYS HB2 4.180 . 4.600 3.652 3.073 4.156 . 0 0 "[ . 1 . 2]" 1
215 1 12 VAL MG2 1 14 LYS HB3 3.750 . 4.130 2.701 2.353 3.058 . 0 0 "[ . 1 . 2]" 1
216 1 12 VAL MG2 1 14 LYS HG3 4.990 . 5.490 4.869 4.435 5.310 . 0 0 "[ . 1 . 2]" 1
217 1 12 VAL MG2 1 15 ALA H 2.850 . 3.130 1.897 1.774 2.178 0.026 8 0 "[ . 1 . 2]" 1
218 1 12 VAL MG2 1 15 ALA HA 3.950 . 4.350 4.070 3.806 4.353 0.003 12 0 "[ . 1 . 2]" 1
219 1 12 VAL MG2 1 15 ALA MB 3.150 . 3.470 2.330 2.088 2.580 . 0 0 "[ . 1 . 2]" 1
220 1 12 VAL MG2 1 17 MET H 5.700 . 6.270 5.542 5.378 5.687 . 0 0 "[ . 1 . 2]" 1
221 1 12 VAL MG2 1 17 MET ME 5.620 . 6.180 5.379 5.146 5.623 . 0 0 "[ . 1 . 2]" 1
222 1 12 VAL MG2 1 57 TRP HH2 5.810 . 6.390 5.250 4.580 6.176 . 0 0 "[ . 1 . 2]" 1
223 1 12 VAL MG2 1 57 TRP HZ2 6.000 . 6.600 5.752 5.046 6.508 . 0 0 "[ . 1 . 2]" 1
224 1 12 VAL MG2 1 57 TRP HZ3 6.000 . 6.600 4.989 3.693 6.023 . 0 0 "[ . 1 . 2]" 1
225 1 12 VAL MG2 1 58 TYR QD 6.000 . 6.600 5.162 4.689 5.961 . 0 0 "[ . 1 . 2]" 1
226 1 13 GLU H 1 13 GLU HB2 3.940 . 4.330 2.456 2.334 2.599 . 0 0 "[ . 1 . 2]" 1
227 1 13 GLU H 1 13 GLU HB3 3.700 . 4.070 2.567 2.425 2.698 . 0 0 "[ . 1 . 2]" 1
228 1 13 GLU H 1 13 GLU HG3 4.760 . 5.240 4.429 4.334 4.524 . 0 0 "[ . 1 . 2]" 1
229 1 13 GLU H 1 14 LYS H 3.780 . 4.160 2.903 2.684 3.107 . 0 0 "[ . 1 . 2]" 1
230 1 13 GLU H 1 16 LEU HB2 6.000 . 6.600 4.889 4.651 5.269 . 0 0 "[ . 1 . 2]" 1
231 1 13 GLU H 1 58 TYR QE 4.820 . 5.300 2.826 2.063 4.260 . 0 0 "[ . 1 . 2]" 1
232 1 13 GLU HA 1 13 GLU HG2 3.840 . 4.220 3.134 3.011 3.269 . 0 0 "[ . 1 . 2]" 1
233 1 13 GLU HA 1 13 GLU HG3 4.040 . 4.440 2.589 2.420 2.735 . 0 0 "[ . 1 . 2]" 1
234 1 13 GLU HA 1 16 LEU H 6.000 . 6.600 3.462 3.227 3.712 . 0 0 "[ . 1 . 2]" 1
235 1 13 GLU HA 1 16 LEU HB2 4.170 . 4.590 3.133 2.749 3.570 . 0 0 "[ . 1 . 2]" 1
236 1 13 GLU HA 1 16 LEU HB3 6.000 . 6.600 2.635 2.341 3.032 . 0 0 "[ . 1 . 2]" 1
237 1 13 GLU HA 1 16 LEU MD1 6.000 . 6.600 4.070 3.723 4.534 . 0 0 "[ . 1 . 2]" 1
238 1 13 GLU HA 1 16 LEU HG 6.000 . 6.600 4.105 3.737 4.538 . 0 0 "[ . 1 . 2]" 1
239 1 13 GLU HA 1 17 MET H 4.740 . 5.210 4.025 3.756 4.372 . 0 0 "[ . 1 . 2]" 1
240 1 13 GLU HA 1 27 ILE MD 5.220 . 5.740 3.427 2.816 3.889 . 0 0 "[ . 1 . 2]" 1
241 1 13 GLU HA 1 58 TYR QD 4.950 . 5.440 2.979 2.412 3.551 . 0 0 "[ . 1 . 2]" 1
242 1 13 GLU HA 1 58 TYR QE 4.990 . 5.490 2.775 1.903 3.892 . 0 0 "[ . 1 . 2]" 1
243 1 13 GLU HB2 1 14 LYS H 4.100 . 4.510 3.804 3.702 3.925 . 0 0 "[ . 1 . 2]" 1
244 1 13 GLU HB2 1 27 ILE MD 5.320 . 5.850 4.445 3.942 5.049 . 0 0 "[ . 1 . 2]" 1
245 1 13 GLU HB2 1 58 TYR QD 6.000 . 6.600 3.985 3.488 4.784 . 0 0 "[ . 1 . 2]" 1
246 1 13 GLU HB2 1 58 TYR QE 3.900 . 4.290 2.132 1.748 2.934 0.052 15 0 "[ . 1 . 2]" 1
247 1 13 GLU HB3 1 14 LYS H 3.140 . 3.450 2.454 2.250 2.642 . 0 0 "[ . 1 . 2]" 1
248 1 13 GLU HB3 1 58 TYR QE 4.270 . 4.700 3.633 3.214 4.221 . 0 0 "[ . 1 . 2]" 1
249 1 13 GLU HG2 1 14 LYS H 3.690 . 4.060 3.621 3.165 4.040 . 0 0 "[ . 1 . 2]" 1
250 1 13 GLU HG2 1 17 MET ME 3.290 . 3.620 2.258 1.926 2.600 . 0 0 "[ . 1 . 2]" 1
251 1 13 GLU HG2 1 17 MET QG 5.810 . 6.390 4.339 4.035 4.724 . 0 0 "[ . 1 . 2]" 1
252 1 13 GLU HG2 1 27 ILE HB 5.050 . 5.560 4.385 3.884 5.090 . 0 0 "[ . 1 . 2]" 1
253 1 13 GLU HG2 1 27 ILE MD 3.820 . 4.200 2.852 2.465 3.531 . 0 0 "[ . 1 . 2]" 1
254 1 13 GLU HG2 1 27 ILE MG 5.530 . 6.080 3.725 3.203 4.420 . 0 0 "[ . 1 . 2]" 1
255 1 13 GLU HG2 1 58 TYR QE 6.000 . 6.600 4.588 3.560 5.266 . 0 0 "[ . 1 . 2]" 1
256 1 13 GLU HG3 1 14 LYS H 5.450 . 6.000 4.641 4.394 4.859 . 0 0 "[ . 1 . 2]" 1
257 1 13 GLU HG3 1 27 ILE MD 3.840 . 4.220 2.520 1.996 3.234 . 0 0 "[ . 1 . 2]" 1
258 1 13 GLU HG3 1 27 ILE MG 4.090 . 4.500 2.390 1.820 3.186 . 0 0 "[ . 1 . 2]" 1
259 1 13 GLU HG3 1 58 TYR QE 6.000 . 6.600 3.521 2.023 4.525 . 0 0 "[ . 1 . 2]" 1
260 1 14 LYS H 1 14 LYS HB2 2.870 . 3.160 2.391 2.301 2.539 . 0 0 "[ . 1 . 2]" 1
261 1 14 LYS H 1 14 LYS HB3 3.010 . 3.310 2.654 2.491 2.795 . 0 0 "[ . 1 . 2]" 1
262 1 14 LYS H 1 14 LYS HD2 4.770 . 5.250 4.784 4.671 4.851 . 0 0 "[ . 1 . 2]" 1
263 1 14 LYS H 1 14 LYS HG2 4.420 . 4.860 4.384 4.299 4.455 . 0 0 "[ . 1 . 2]" 1
264 1 14 LYS H 1 14 LYS HG3 4.540 . 4.990 4.552 4.514 4.607 . 0 0 "[ . 1 . 2]" 1
265 1 14 LYS H 1 15 ALA H 3.380 . 3.720 2.782 2.661 2.939 . 0 0 "[ . 1 . 2]" 1
266 1 14 LYS H 1 16 LEU H 5.250 . 5.780 4.117 3.965 4.287 . 0 0 "[ . 1 . 2]" 1
267 1 14 LYS H 1 17 MET H 4.940 . 5.430 4.997 4.869 5.168 . 0 0 "[ . 1 . 2]" 1
268 1 14 LYS H 1 17 MET ME 3.890 . 4.280 3.781 3.519 4.132 . 0 0 "[ . 1 . 2]" 1
269 1 14 LYS HA 1 14 LYS HD2 3.490 . 3.840 3.490 3.149 3.852 0.012 1 0 "[ . 1 . 2]" 1
270 1 14 LYS HA 1 14 LYS HD3 4.440 . 4.880 4.395 4.168 4.678 . 0 0 "[ . 1 . 2]" 1
271 1 14 LYS HA 1 14 LYS HE2 5.470 . 6.020 5.317 5.224 5.425 . 0 0 "[ . 1 . 2]" 1
272 1 14 LYS HA 1 14 LYS HE3 5.860 . 6.450 4.627 4.473 4.728 . 0 0 "[ . 1 . 2]" 1
273 1 14 LYS HA 1 14 LYS HG2 3.920 . 4.310 2.396 2.325 2.544 . 0 0 "[ . 1 . 2]" 1
274 1 14 LYS HA 1 14 LYS HG3 4.030 . 4.430 3.580 3.518 3.630 . 0 0 "[ . 1 . 2]" 1
275 1 14 LYS HA 1 17 MET H 3.880 . 4.270 3.873 3.692 4.102 . 0 0 "[ . 1 . 2]" 1
276 1 14 LYS HA 1 17 MET HB3 4.130 . 4.540 4.252 3.963 4.559 0.019 2 0 "[ . 1 . 2]" 1
277 1 14 LYS HA 1 17 MET ME 3.440 . 3.780 2.127 1.784 2.466 0.016 17 0 "[ . 1 . 2]" 1
278 1 14 LYS HA 1 17 MET QG 4.300 . 4.730 2.456 2.259 2.725 . 0 0 "[ . 1 . 2]" 1
279 1 14 LYS HA 1 18 VAL MG2 3.700 . 4.070 4.081 3.815 4.145 0.075 8 0 "[ . 1 . 2]" 1
280 1 14 LYS HB2 1 14 LYS HD2 3.570 . 3.930 3.745 3.728 3.757 . 0 0 "[ . 1 . 2]" 1
281 1 14 LYS HB2 1 14 LYS HE2 4.390 . 4.830 3.922 3.778 4.075 . 0 0 "[ . 1 . 2]" 1
282 1 14 LYS HB2 1 15 ALA H 4.210 . 4.630 3.870 3.668 4.044 . 0 0 "[ . 1 . 2]" 1
283 1 14 LYS HB3 1 14 LYS HD2 2.400 . 2.640 2.697 2.609 2.775 0.135 15 0 "[ . 1 . 2]" 1
284 1 14 LYS HB3 1 14 LYS HE3 2.800 . 3.080 1.966 1.876 2.064 . 0 0 "[ . 1 . 2]" 1
285 1 14 LYS HB3 1 15 ALA H 3.560 . 3.920 2.690 2.396 2.933 . 0 0 "[ . 1 . 2]" 1
286 1 14 LYS HD2 1 14 LYS HE3 2.400 . 2.640 2.438 2.402 2.468 . 0 0 "[ . 1 . 2]" 1
287 1 14 LYS HD2 1 15 ALA H 3.740 . 4.110 3.612 2.974 4.057 . 0 0 "[ . 1 . 2]" 1
288 1 14 LYS HD2 1 18 VAL MG1 6.000 . 6.600 5.120 4.855 5.373 . 0 0 "[ . 1 . 2]" 1
289 1 14 LYS HD2 1 18 VAL MG2 4.010 . 4.410 2.984 2.528 3.375 . 0 0 "[ . 1 . 2]" 1
290 1 14 LYS HD3 1 14 LYS HG2 2.600 . 2.860 2.398 2.369 2.423 . 0 0 "[ . 1 . 2]" 1
291 1 14 LYS HD3 1 14 LYS HG3 2.830 . 3.110 2.500 2.483 2.530 . 0 0 "[ . 1 . 2]" 1
292 1 14 LYS HD3 1 18 VAL MG1 5.910 . 6.500 5.549 5.086 5.867 . 0 0 "[ . 1 . 2]" 1
293 1 14 LYS HD3 1 18 VAL MG2 3.780 . 4.160 3.518 3.180 3.764 . 0 0 "[ . 1 . 2]" 1
294 1 14 LYS HE2 1 14 LYS HG2 3.390 . 3.730 3.680 3.654 3.716 . 0 0 "[ . 1 . 2]" 1
295 1 14 LYS HE2 1 14 LYS HG3 2.650 . 2.920 2.464 2.427 2.521 . 0 0 "[ . 1 . 2]" 1
296 1 14 LYS HE2 1 18 VAL MG2 4.960 . 5.460 5.269 4.711 5.504 0.044 17 0 "[ . 1 . 2]" 1
297 1 14 LYS HE3 1 15 ALA H 4.820 . 5.300 3.672 3.249 4.058 . 0 0 "[ . 1 . 2]" 1
298 1 14 LYS HE3 1 18 VAL MG2 5.200 . 5.720 4.907 4.263 5.391 . 0 0 "[ . 1 . 2]" 1
299 1 14 LYS HG2 1 15 ALA H 5.170 . 5.690 4.692 4.262 4.956 . 0 0 "[ . 1 . 2]" 1
300 1 14 LYS HG2 1 17 MET QG 5.810 . 6.390 3.727 3.356 4.023 . 0 0 "[ . 1 . 2]" 1
301 1 14 LYS HG2 1 18 VAL MG2 3.780 . 4.160 3.901 3.150 4.184 0.024 12 0 "[ . 1 . 2]" 1
302 1 14 LYS HG3 1 15 ALA H 6.000 . 6.600 5.089 4.803 5.340 . 0 0 "[ . 1 . 2]" 1
303 1 15 ALA H 1 15 ALA MB 2.800 . 3.080 2.260 2.243 2.278 . 0 0 "[ . 1 . 2]" 1
304 1 15 ALA H 1 16 LEU H 3.060 . 3.370 2.516 2.354 2.681 . 0 0 "[ . 1 . 2]" 1
305 1 15 ALA H 1 17 MET H 4.840 . 5.320 4.367 4.200 4.501 . 0 0 "[ . 1 . 2]" 1
306 1 15 ALA H 1 18 VAL MG2 5.670 . 6.240 4.655 4.381 4.853 . 0 0 "[ . 1 . 2]" 1
307 1 15 ALA HA 1 18 VAL H 4.070 . 4.480 3.616 3.459 3.818 . 0 0 "[ . 1 . 2]" 1
308 1 15 ALA HA 1 18 VAL HB 3.570 . 3.930 3.040 2.644 3.377 . 0 0 "[ . 1 . 2]" 1
309 1 15 ALA HA 1 18 VAL MG1 4.400 . 4.840 4.296 3.939 4.562 . 0 0 "[ . 1 . 2]" 1
310 1 15 ALA HA 1 18 VAL MG2 3.490 . 3.840 3.001 2.550 3.439 . 0 0 "[ . 1 . 2]" 1
311 1 15 ALA HA 1 19 ARG H 4.820 . 5.300 4.385 4.050 4.820 . 0 0 "[ . 1 . 2]" 1
312 1 15 ALA HA 1 19 ARG QG 4.320 . 4.750 4.037 3.678 4.730 . 0 0 "[ . 1 . 2]" 1
313 1 15 ALA MB 1 16 LEU H 3.140 . 3.450 2.618 2.526 2.719 . 0 0 "[ . 1 . 2]" 1
314 1 15 ALA MB 1 16 LEU HB3 5.130 . 5.640 4.804 4.705 4.949 . 0 0 "[ . 1 . 2]" 1
315 1 15 ALA MB 1 17 MET H 5.360 . 5.900 4.759 4.662 4.839 . 0 0 "[ . 1 . 2]" 1
316 1 15 ALA MB 1 18 VAL MG2 5.330 . 5.860 4.238 3.851 4.600 . 0 0 "[ . 1 . 2]" 1
317 1 15 ALA MB 1 19 ARG HG2 4.750 . 5.220 3.813 3.215 5.254 0.034 17 0 "[ . 1 . 2]" 1
318 1 15 ALA MB 1 19 ARG QG 4.110 . 4.520 3.360 3.016 3.942 . 0 0 "[ . 1 . 2]" 1
319 1 15 ALA MB 1 19 ARG HG3 4.750 . 5.220 3.849 3.427 4.612 . 0 0 "[ . 1 . 2]" 1
320 1 16 LEU H 1 16 LEU HB2 3.460 . 3.810 2.358 2.308 2.420 . 0 0 "[ . 1 . 2]" 1
321 1 16 LEU H 1 16 LEU HB3 3.660 . 4.030 2.607 2.541 2.655 . 0 0 "[ . 1 . 2]" 1
322 1 16 LEU H 1 16 LEU MD1 4.710 . 5.180 4.257 4.216 4.290 . 0 0 "[ . 1 . 2]" 1
323 1 16 LEU H 1 16 LEU MD2 4.550 . 5.010 3.980 3.928 4.043 . 0 0 "[ . 1 . 2]" 1
324 1 16 LEU H 1 16 LEU HG 5.160 . 5.680 4.549 4.524 4.564 . 0 0 "[ . 1 . 2]" 1
325 1 16 LEU H 1 17 MET H 3.620 . 3.980 2.811 2.700 2.880 . 0 0 "[ . 1 . 2]" 1
326 1 16 LEU H 1 17 MET HA 5.290 . 5.820 5.387 5.301 5.440 . 0 0 "[ . 1 . 2]" 1
327 1 16 LEU H 1 17 MET ME 6.000 . 6.600 4.922 4.702 5.099 . 0 0 "[ . 1 . 2]" 1
328 1 16 LEU H 1 18 VAL H 4.870 . 5.360 4.135 4.044 4.279 . 0 0 "[ . 1 . 2]" 1
329 1 16 LEU H 1 18 VAL HB 6.000 . 6.600 5.314 5.070 5.512 . 0 0 "[ . 1 . 2]" 1
330 1 16 LEU HA 1 16 LEU MD2 3.230 . 3.550 1.978 1.915 2.014 . 0 0 "[ . 1 . 2]" 1
331 1 16 LEU HA 1 16 LEU HG 3.750 . 4.130 3.716 3.686 3.734 . 0 0 "[ . 1 . 2]" 1
332 1 16 LEU HA 1 18 VAL H 5.510 . 6.060 4.268 4.085 4.508 . 0 0 "[ . 1 . 2]" 1
333 1 16 LEU HA 1 19 ARG H 6.000 . 6.600 3.468 3.310 3.716 . 0 0 "[ . 1 . 2]" 1
334 1 16 LEU HA 1 19 ARG QB 3.930 . 4.320 2.860 2.578 3.627 . 0 0 "[ . 1 . 2]" 1
335 1 16 LEU HA 1 20 THR HG1 4.900 . 5.390 4.138 4.006 4.441 . 0 0 "[ . 1 . 2]" 1
336 1 16 LEU HA 1 20 THR MG 3.670 . 4.040 3.496 3.280 3.826 . 0 0 "[ . 1 . 2]" 1
337 1 16 LEU HA 1 27 ILE MD 6.000 . 6.600 5.060 4.555 5.607 . 0 0 "[ . 1 . 2]" 1
338 1 16 LEU HA 1 63 ILE MD 5.640 . 6.200 4.855 4.678 5.881 . 0 0 "[ . 1 . 2]" 1
339 1 16 LEU HB2 1 17 MET H 3.880 . 4.270 3.745 3.678 3.840 . 0 0 "[ . 1 . 2]" 1
340 1 16 LEU HB2 1 60 TYR HB2 6.000 . 6.600 5.711 5.242 6.271 . 0 0 "[ . 1 . 2]" 1
341 1 16 LEU HB2 1 63 ILE MD 6.000 . 6.600 4.125 3.856 5.414 . 0 0 "[ . 1 . 2]" 1
342 1 16 LEU HB3 1 17 MET H 4.730 . 5.200 2.456 2.343 2.576 . 0 0 "[ . 1 . 2]" 1
343 1 16 LEU HB3 1 27 ILE MG 4.520 . 4.970 4.200 3.588 4.654 . 0 0 "[ . 1 . 2]" 1
344 1 16 LEU HB3 1 58 TYR QB 5.460 . 6.010 4.216 3.772 4.732 . 0 0 "[ . 1 . 2]" 1
345 1 16 LEU HB3 1 63 ILE MD 6.000 . 6.600 4.362 4.053 5.744 . 0 0 "[ . 1 . 2]" 1
346 1 16 LEU MD1 1 17 MET H 6.000 . 6.600 3.236 3.088 3.363 . 0 0 "[ . 1 . 2]" 1
347 1 16 LEU MD1 1 20 THR MG 4.850 . 5.330 2.167 1.989 2.279 . 0 0 "[ . 1 . 2]" 1
348 1 16 LEU MD1 1 22 LEU MD2 3.570 . 3.930 3.140 2.781 3.541 . 0 0 "[ . 1 . 2]" 1
349 1 16 LEU MD1 1 27 ILE QG 4.610 . 5.070 2.944 2.355 3.419 . 0 0 "[ . 1 . 2]" 1
350 1 16 LEU MD1 1 27 ILE MG 3.460 . 3.810 3.183 2.885 3.540 . 0 0 "[ . 1 . 2]" 1
351 1 16 LEU MD1 1 35 TRP HH2 4.280 . 4.710 4.330 3.422 4.752 0.042 1 0 "[ . 1 . 2]" 1
352 1 16 LEU MD1 1 58 TYR HB2 4.640 . 5.100 4.392 4.028 4.733 . 0 0 "[ . 1 . 2]" 1
353 1 16 LEU MD1 1 58 TYR QB 4.020 . 4.420 3.929 3.499 4.302 . 0 0 "[ . 1 . 2]" 1
354 1 16 LEU MD1 1 58 TYR HB3 4.640 . 5.100 4.443 3.828 4.941 . 0 0 "[ . 1 . 2]" 1
355 1 16 LEU MD1 1 58 TYR QD 4.170 . 4.590 4.317 2.823 4.657 0.067 11 0 "[ . 1 . 2]" 1
356 1 16 LEU MD1 1 58 TYR QE 5.310 . 5.840 5.095 3.424 5.648 . 0 0 "[ . 1 . 2]" 1
357 1 16 LEU MD1 1 60 TYR QD 6.000 . 6.600 4.230 3.753 4.684 . 0 0 "[ . 1 . 2]" 1
358 1 16 LEU MD1 1 63 ILE MD 3.060 . 3.370 2.263 1.903 3.394 0.024 19 0 "[ . 1 . 2]" 1
359 1 16 LEU MD1 1 63 ILE MG 3.370 . 3.710 2.144 1.783 2.471 0.017 4 0 "[ . 1 . 2]" 1
360 1 16 LEU MD2 1 17 MET H 6.000 . 6.600 4.380 4.321 4.443 . 0 0 "[ . 1 . 2]" 1
361 1 16 LEU MD2 1 17 MET HA 6.000 . 6.600 4.704 4.569 4.814 . 0 0 "[ . 1 . 2]" 1
362 1 16 LEU MD2 1 20 THR H 6.000 . 6.600 3.934 3.577 4.279 . 0 0 "[ . 1 . 2]" 1
363 1 16 LEU MD2 1 20 THR MG 2.920 . 3.210 2.107 1.985 2.254 . 0 0 "[ . 1 . 2]" 1
364 1 16 LEU MD2 1 35 TRP HZ2 5.770 . 6.350 4.739 4.173 5.374 . 0 0 "[ . 1 . 2]" 1
365 1 16 LEU MD2 1 58 TYR QB 4.370 . 4.810 2.975 2.466 3.328 . 0 0 "[ . 1 . 2]" 1
366 1 16 LEU MD2 1 58 TYR QD 5.080 . 5.590 4.194 3.410 4.591 . 0 0 "[ . 1 . 2]" 1
367 1 16 LEU MD2 1 59 ASN H 5.040 . 5.540 5.145 4.405 5.513 . 0 0 "[ . 1 . 2]" 1
368 1 16 LEU MD2 1 60 TYR HA 3.720 . 4.090 2.562 2.219 2.962 . 0 0 "[ . 1 . 2]" 1
369 1 16 LEU MD2 1 60 TYR QD 3.510 . 3.860 2.327 2.003 2.593 . 0 0 "[ . 1 . 2]" 1
370 1 16 LEU MD2 1 60 TYR QE 6.000 . 6.600 3.735 3.203 4.319 . 0 0 "[ . 1 . 2]" 1
371 1 16 LEU MD2 1 61 PRO QD 5.190 . 5.710 5.062 4.709 5.389 . 0 0 "[ . 1 . 2]" 1
372 1 16 LEU MD2 1 63 ILE H 6.000 . 6.600 4.657 4.237 5.023 . 0 0 "[ . 1 . 2]" 1
373 1 16 LEU MD2 1 63 ILE HB 3.940 . 4.330 2.897 2.536 3.295 . 0 0 "[ . 1 . 2]" 1
374 1 16 LEU MD2 1 63 ILE MD 3.240 . 3.560 2.002 1.783 2.668 0.017 3 0 "[ . 1 . 2]" 1
375 1 16 LEU HG 1 17 MET H 5.670 . 6.240 4.825 4.685 4.922 . 0 0 "[ . 1 . 2]" 1
376 1 16 LEU HG 1 20 THR MG 3.900 . 4.290 4.039 3.911 4.199 . 0 0 "[ . 1 . 2]" 1
377 1 16 LEU HG 1 27 ILE MG 4.470 . 4.920 4.329 3.839 4.921 0.001 8 0 "[ . 1 . 2]" 1
378 1 16 LEU HG 1 58 TYR QB 5.810 . 6.390 2.624 2.182 3.042 . 0 0 "[ . 1 . 2]" 1
379 1 16 LEU HG 1 63 ILE MD 5.360 . 5.900 2.335 1.974 3.646 . 0 0 "[ . 1 . 2]" 1
380 1 17 MET H 1 17 MET HB3 3.110 . 3.420 2.532 2.487 2.588 . 0 0 "[ . 1 . 2]" 1
381 1 17 MET H 1 17 MET ME 3.560 . 3.920 3.414 3.250 3.500 . 0 0 "[ . 1 . 2]" 1
382 1 17 MET H 1 17 MET HG2 3.660 . 4.030 2.218 2.144 2.316 . 0 0 "[ . 1 . 2]" 1
383 1 17 MET H 1 17 MET QG 3.000 . 3.300 2.191 2.121 2.283 . 0 0 "[ . 1 . 2]" 1
384 1 17 MET H 1 17 MET HG3 3.660 . 4.030 3.409 3.323 3.524 . 0 0 "[ . 1 . 2]" 1
385 1 17 MET H 1 18 VAL H 3.560 . 3.920 2.747 2.664 2.846 . 0 0 "[ . 1 . 2]" 1
386 1 17 MET H 1 18 VAL MG2 4.470 . 4.920 4.068 3.940 4.228 . 0 0 "[ . 1 . 2]" 1
387 1 17 MET H 1 20 THR HG1 6.000 . 6.600 4.206 4.014 4.553 . 0 0 "[ . 1 . 2]" 1
388 1 17 MET H 1 27 ILE MD 4.410 . 4.850 2.986 2.480 3.439 . 0 0 "[ . 1 . 2]" 1
389 1 17 MET HA 1 17 MET ME 4.420 . 4.860 4.196 4.139 4.284 . 0 0 "[ . 1 . 2]" 1
390 1 17 MET HA 1 17 MET HG2 3.980 . 4.380 3.772 3.741 3.801 . 0 0 "[ . 1 . 2]" 1
391 1 17 MET HA 1 17 MET QG 3.460 . 3.810 3.356 3.350 3.362 . 0 0 "[ . 1 . 2]" 1
392 1 17 MET HA 1 17 MET HG3 3.980 . 4.380 3.764 3.731 3.786 . 0 0 "[ . 1 . 2]" 1
393 1 17 MET HA 1 20 THR H 4.920 . 5.410 3.585 3.412 3.765 . 0 0 "[ . 1 . 2]" 1
394 1 17 MET HA 1 20 THR HG1 3.960 . 4.360 2.489 2.306 2.827 . 0 0 "[ . 1 . 2]" 1
395 1 17 MET HA 1 20 THR MG 4.710 . 5.180 4.121 3.976 4.307 . 0 0 "[ . 1 . 2]" 1
396 1 17 MET HA 1 21 GLY H 6.000 . 6.600 3.562 3.204 3.851 . 0 0 "[ . 1 . 2]" 1
397 1 17 MET HA 1 22 LEU H 4.210 . 4.630 2.982 2.613 3.269 . 0 0 "[ . 1 . 2]" 1
398 1 17 MET HA 1 22 LEU HA 4.830 . 5.310 4.937 4.713 5.181 . 0 0 "[ . 1 . 2]" 1
399 1 17 MET HA 1 22 LEU HB2 5.180 . 5.700 2.815 2.453 3.268 . 0 0 "[ . 1 . 2]" 1
400 1 17 MET HA 1 22 LEU HB3 6.000 . 6.600 4.073 3.601 4.555 . 0 0 "[ . 1 . 2]" 1
401 1 17 MET HA 1 22 LEU MD1 6.000 . 6.600 4.231 3.884 4.420 . 0 0 "[ . 1 . 2]" 1
402 1 17 MET HA 1 27 ILE MD 5.340 . 5.870 2.582 2.319 3.010 . 0 0 "[ . 1 . 2]" 1
403 1 17 MET HB2 1 18 VAL H 4.760 . 5.240 3.893 3.762 3.988 . 0 0 "[ . 1 . 2]" 1
404 1 17 MET HB2 1 21 GLY H 6.000 . 6.600 4.799 4.473 5.024 . 0 0 "[ . 1 . 2]" 1
405 1 17 MET HB2 1 22 LEU MD2 6.000 . 6.600 5.642 5.309 6.077 . 0 0 "[ . 1 . 2]" 1
406 1 17 MET HB2 1 23 GLY H 4.580 . 5.040 4.607 3.999 5.065 0.025 2 0 "[ . 1 . 2]" 1
407 1 17 MET HB2 1 23 GLY QA 5.810 . 6.390 2.947 2.316 3.548 . 0 0 "[ . 1 . 2]" 1
408 1 17 MET HB2 1 27 ILE QG 5.810 . 6.390 4.303 4.034 4.655 . 0 0 "[ . 1 . 2]" 1
409 1 17 MET HB3 1 17 MET ME 2.920 . 3.210 2.030 1.984 2.097 . 0 0 "[ . 1 . 2]" 1
410 1 17 MET HB3 1 18 VAL H 4.390 . 4.830 4.028 3.970 4.105 . 0 0 "[ . 1 . 2]" 1
411 1 17 MET HB3 1 18 VAL MG2 4.740 . 5.210 4.745 4.553 4.938 . 0 0 "[ . 1 . 2]" 1
412 1 17 MET HB3 1 21 GLY H 6.000 . 6.600 5.750 5.400 6.001 . 0 0 "[ . 1 . 2]" 1
413 1 17 MET HB3 1 27 ILE MD 4.670 . 5.140 1.956 1.792 2.108 0.008 18 0 "[ . 1 . 2]" 1
414 1 17 MET HB3 1 27 ILE QG 4.240 . 4.660 3.599 3.268 3.925 . 0 0 "[ . 1 . 2]" 1
415 1 17 MET ME 1 17 MET QG 3.330 . 3.660 2.434 2.415 2.456 . 0 0 "[ . 1 . 2]" 1
416 1 17 MET ME 1 18 VAL H 6.000 . 6.600 4.722 4.578 4.840 . 0 0 "[ . 1 . 2]" 1
417 1 17 MET ME 1 18 VAL MG2 4.530 . 4.980 4.504 4.267 4.780 . 0 0 "[ . 1 . 2]" 1
418 1 17 MET ME 1 23 GLY H 5.470 . 6.020 5.399 4.809 5.815 . 0 0 "[ . 1 . 2]" 1
419 1 17 MET ME 1 23 GLY QA 4.040 . 4.440 3.593 2.904 4.027 . 0 0 "[ . 1 . 2]" 1
420 1 17 MET ME 1 24 ALA H 3.160 . 3.480 3.070 2.646 3.485 0.005 2 0 "[ . 1 . 2]" 1
421 1 17 MET ME 1 24 ALA HA 3.810 . 4.190 2.517 2.160 2.849 . 0 0 "[ . 1 . 2]" 1
422 1 17 MET ME 1 24 ALA MB 2.900 . 3.190 2.160 1.895 2.728 . 0 0 "[ . 1 . 2]" 1
423 1 17 MET ME 1 25 ARG H 5.250 . 5.780 4.969 4.663 5.290 . 0 0 "[ . 1 . 2]" 1
424 1 17 MET ME 1 27 ILE H 5.640 . 6.200 4.914 4.641 5.160 . 0 0 "[ . 1 . 2]" 1
425 1 17 MET ME 1 27 ILE MD 3.500 . 3.850 2.180 1.884 2.472 . 0 0 "[ . 1 . 2]" 1
426 1 17 MET ME 1 27 ILE QG 5.320 . 5.850 3.717 3.466 3.946 . 0 0 "[ . 1 . 2]" 1
427 1 17 MET ME 1 28 GLU H 6.000 . 6.600 5.624 5.257 6.131 . 0 0 "[ . 1 . 2]" 1
428 1 17 MET QG 1 18 VAL MG2 5.810 . 6.390 2.249 2.083 2.561 . 0 0 "[ . 1 . 2]" 1
429 1 17 MET QG 1 27 ILE MD 3.730 . 4.100 3.557 3.335 3.762 . 0 0 "[ . 1 . 2]" 1
430 1 17 MET HG2 1 27 ILE MD 4.440 . 4.880 3.737 3.476 3.966 . 0 0 "[ . 1 . 2]" 1
431 1 17 MET HG3 1 27 ILE MD 4.440 . 4.880 4.465 4.292 4.674 . 0 0 "[ . 1 . 2]" 1
432 1 18 VAL H 1 18 VAL HB 2.930 . 3.220 2.538 2.432 2.598 . 0 0 "[ . 1 . 2]" 1
433 1 18 VAL H 1 18 VAL MG1 3.810 . 4.190 3.788 3.767 3.802 . 0 0 "[ . 1 . 2]" 1
434 1 18 VAL H 1 18 VAL MG2 2.900 . 3.190 2.115 2.007 2.285 . 0 0 "[ . 1 . 2]" 1
435 1 18 VAL H 1 19 ARG H 3.310 . 3.640 2.587 2.501 2.716 . 0 0 "[ . 1 . 2]" 1
436 1 18 VAL HA 1 18 VAL MG1 3.200 . 3.520 2.412 2.364 2.489 . 0 0 "[ . 1 . 2]" 1
437 1 18 VAL HA 1 18 VAL MG2 2.810 . 3.090 2.415 2.354 2.473 . 0 0 "[ . 1 . 2]" 1
438 1 18 VAL HA 1 19 ARG HA 5.020 . 5.520 4.756 4.660 4.833 . 0 0 "[ . 1 . 2]" 1
439 1 18 VAL HA 1 20 THR H 5.620 . 6.180 4.339 4.125 4.612 . 0 0 "[ . 1 . 2]" 1
440 1 18 VAL HA 1 21 GLY H 4.510 . 4.960 3.775 3.487 4.046 . 0 0 "[ . 1 . 2]" 1
441 1 18 VAL HB 1 19 ARG H 3.330 . 3.660 2.668 2.410 2.989 . 0 0 "[ . 1 . 2]" 1
442 1 18 VAL MG1 1 19 ARG H 3.900 . 4.290 3.517 3.285 3.769 . 0 0 "[ . 1 . 2]" 1
443 1 18 VAL MG1 1 19 ARG HA 3.820 . 4.200 3.518 3.367 3.667 . 0 0 "[ . 1 . 2]" 1
444 1 18 VAL MG2 1 19 ARG H 4.020 . 4.420 3.834 3.683 3.950 . 0 0 "[ . 1 . 2]" 1
445 1 19 ARG H 1 19 ARG HB2 3.600 . 3.960 2.457 2.340 2.608 . 0 0 "[ . 1 . 2]" 1
446 1 19 ARG H 1 19 ARG QB 3.080 . 3.390 2.418 2.311 2.554 . 0 0 "[ . 1 . 2]" 1
447 1 19 ARG H 1 19 ARG HB3 3.600 . 3.960 3.610 3.575 3.675 . 0 0 "[ . 1 . 2]" 1
448 1 19 ARG H 1 19 ARG QG 3.370 . 3.710 2.359 2.043 2.584 . 0 0 "[ . 1 . 2]" 1
449 1 19 ARG H 1 20 THR H 3.250 . 3.580 2.565 2.337 2.728 . 0 0 "[ . 1 . 2]" 1
450 1 19 ARG H 1 21 GLY H 4.590 . 5.050 4.047 3.861 4.188 . 0 0 "[ . 1 . 2]" 1
451 1 19 ARG HA 1 19 ARG HD2 4.430 . 4.870 3.275 2.045 4.676 . 0 0 "[ . 1 . 2]" 1
452 1 19 ARG HA 1 19 ARG QD 3.620 . 3.980 2.551 1.950 3.994 0.014 20 0 "[ . 1 . 2]" 1
453 1 19 ARG HA 1 19 ARG HD3 4.430 . 4.870 2.902 1.970 4.335 . 0 0 "[ . 1 . 2]" 1
454 1 19 ARG HA 1 19 ARG QG 3.390 . 3.730 2.795 2.449 3.008 . 0 0 "[ . 1 . 2]" 1
455 1 19 ARG QB 1 20 THR H 3.680 . 4.050 2.875 2.563 3.267 . 0 0 "[ . 1 . 2]" 1
456 1 19 ARG QB 1 20 THR MG 3.380 . 3.720 2.891 2.619 3.157 . 0 0 "[ . 1 . 2]" 1
457 1 19 ARG QB 1 21 GLY H 4.940 . 5.430 4.798 4.556 5.036 . 0 0 "[ . 1 . 2]" 1
458 1 19 ARG QB 1 60 TYR QD 5.810 . 6.390 3.039 2.665 3.426 . 0 0 "[ . 1 . 2]" 1
459 1 19 ARG QB 1 60 TYR QE 5.660 . 6.230 2.547 1.881 3.068 . 0 0 "[ . 1 . 2]" 1
460 1 19 ARG HB2 1 20 THR H 4.250 . 4.680 2.966 2.637 3.424 . 0 0 "[ . 1 . 2]" 1
461 1 19 ARG HB3 1 20 THR H 4.250 . 4.680 3.871 3.492 4.169 . 0 0 "[ . 1 . 2]" 1
462 1 19 ARG QG 1 20 THR H 4.790 . 5.270 4.225 4.060 4.448 . 0 0 "[ . 1 . 2]" 1
463 1 19 ARG QG 1 60 TYR QD 5.510 . 6.060 4.268 3.317 5.255 . 0 0 "[ . 1 . 2]" 1
464 1 20 THR H 1 20 THR HG1 3.490 . 3.840 2.502 2.390 2.694 . 0 0 "[ . 1 . 2]" 1
465 1 20 THR H 1 20 THR MG 3.460 . 3.810 2.567 2.429 2.762 . 0 0 "[ . 1 . 2]" 1
466 1 20 THR H 1 21 GLY H 3.020 . 3.320 2.234 2.080 2.335 . 0 0 "[ . 1 . 2]" 1
467 1 20 THR H 1 21 GLY HA2 4.550 . 5.010 4.560 4.394 4.663 . 0 0 "[ . 1 . 2]" 1
468 1 20 THR H 1 21 GLY HA3 4.970 . 5.470 4.952 4.814 5.034 . 0 0 "[ . 1 . 2]" 1
469 1 20 THR H 1 22 LEU H 4.630 . 5.090 3.781 3.632 3.957 . 0 0 "[ . 1 . 2]" 1
470 1 20 THR HA 1 20 THR MG 3.520 . 3.870 2.363 2.324 2.388 . 0 0 "[ . 1 . 2]" 1
471 1 20 THR HB 1 21 GLY HA3 5.110 . 5.620 4.821 4.734 4.894 . 0 0 "[ . 1 . 2]" 1
472 1 20 THR HB 1 22 LEU HB2 4.300 . 4.730 3.924 3.642 4.067 . 0 0 "[ . 1 . 2]" 1
473 1 20 THR HB 1 22 LEU MD1 3.660 . 4.030 1.977 1.782 2.233 0.018 12 0 "[ . 1 . 2]" 1
474 1 20 THR HB 1 22 LEU MD2 6.000 . 6.600 3.561 3.374 3.812 . 0 0 "[ . 1 . 2]" 1
475 1 20 THR HB 1 67 ILE MD 4.030 . 4.430 2.384 1.953 3.671 . 0 0 "[ . 1 . 2]" 1
476 1 20 THR HG1 1 21 GLY H 3.840 . 4.220 3.384 3.303 3.619 . 0 0 "[ . 1 . 2]" 1
477 1 20 THR HG1 1 27 ILE MD 6.000 . 6.600 3.862 3.459 4.353 . 0 0 "[ . 1 . 2]" 1
478 1 20 THR MG 1 21 GLY H 5.450 . 6.000 4.028 3.978 4.086 . 0 0 "[ . 1 . 2]" 1
479 1 20 THR MG 1 22 LEU H 4.450 . 4.890 4.242 4.110 4.533 . 0 0 "[ . 1 . 2]" 1
480 1 20 THR MG 1 22 LEU MD2 4.160 . 4.580 3.611 3.364 3.858 . 0 0 "[ . 1 . 2]" 1
481 1 20 THR MG 1 58 TYR QD 6.000 . 6.600 6.364 5.355 6.648 0.048 15 0 "[ . 1 . 2]" 1
482 1 20 THR MG 1 60 TYR HA 4.650 . 5.120 3.975 3.379 4.290 . 0 0 "[ . 1 . 2]" 1
483 1 20 THR MG 1 60 TYR QD 3.510 . 3.860 2.645 2.147 3.295 . 0 0 "[ . 1 . 2]" 1
484 1 20 THR MG 1 60 TYR QE 3.650 . 4.020 2.299 1.958 3.162 . 0 0 "[ . 1 . 2]" 1
485 1 20 THR MG 1 63 ILE HB 3.690 . 4.060 3.350 2.763 3.654 . 0 0 "[ . 1 . 2]" 1
486 1 20 THR MG 1 63 ILE MG 4.010 . 4.410 2.332 1.842 2.650 . 0 0 "[ . 1 . 2]" 1
487 1 20 THR MG 1 67 ILE MD 3.950 . 4.350 2.635 2.286 3.911 . 0 0 "[ . 1 . 2]" 1
488 1 21 GLY H 1 22 LEU H 3.340 . 3.670 2.384 2.235 2.528 . 0 0 "[ . 1 . 2]" 1
489 1 21 GLY H 1 22 LEU MD1 4.550 . 5.010 3.830 3.697 3.993 . 0 0 "[ . 1 . 2]" 1
490 1 21 GLY HA2 1 22 LEU HB2 5.440 . 5.980 5.471 5.336 5.565 . 0 0 "[ . 1 . 2]" 1
491 1 21 GLY HA2 1 22 LEU MD1 4.750 . 5.220 4.374 4.164 4.500 . 0 0 "[ . 1 . 2]" 1
492 1 22 LEU H 1 22 LEU HB2 3.120 . 3.430 2.284 2.246 2.345 . 0 0 "[ . 1 . 2]" 1
493 1 22 LEU H 1 22 LEU MD1 3.300 . 3.630 2.330 2.077 2.601 . 0 0 "[ . 1 . 2]" 1
494 1 22 LEU H 1 22 LEU MD2 5.220 . 5.740 3.910 3.805 4.104 . 0 0 "[ . 1 . 2]" 1
495 1 22 LEU H 1 22 LEU HG 4.160 . 4.580 4.040 3.831 4.234 . 0 0 "[ . 1 . 2]" 1
496 1 22 LEU H 1 23 GLY H 6.000 . 6.600 4.589 4.501 4.648 . 0 0 "[ . 1 . 2]" 1
497 1 22 LEU HA 1 22 LEU MD1 3.110 . 3.420 2.514 2.389 2.668 . 0 0 "[ . 1 . 2]" 1
498 1 22 LEU HA 1 22 LEU MD2 4.150 . 4.570 3.825 3.807 3.853 . 0 0 "[ . 1 . 2]" 1
499 1 22 LEU HA 1 22 LEU HG 3.580 . 3.940 2.548 2.517 2.613 . 0 0 "[ . 1 . 2]" 1
500 1 22 LEU HA 1 23 GLY H 2.880 . 3.170 2.459 2.310 2.659 . 0 0 "[ . 1 . 2]" 1
501 1 22 LEU HB2 1 22 LEU MD1 3.020 . 3.320 2.442 2.405 2.484 . 0 0 "[ . 1 . 2]" 1
502 1 22 LEU HB2 1 22 LEU MD2 3.130 . 3.440 2.371 2.324 2.410 . 0 0 "[ . 1 . 2]" 1
503 1 22 LEU HB2 1 23 GLY H 4.650 . 5.120 3.717 3.349 3.998 . 0 0 "[ . 1 . 2]" 1
504 1 22 LEU HB2 1 27 ILE MD 3.840 . 4.220 3.116 2.763 3.505 . 0 0 "[ . 1 . 2]" 1
505 1 22 LEU HB2 1 27 ILE QG 4.480 . 4.930 3.078 2.853 3.355 . 0 0 "[ . 1 . 2]" 1
506 1 22 LEU HB2 1 30 TYR QD 6.000 . 6.600 5.756 5.439 6.256 . 0 0 "[ . 1 . 2]" 1
507 1 22 LEU HB3 1 23 GLY H 4.840 . 5.320 2.337 1.877 2.708 . 0 0 "[ . 1 . 2]" 1
508 1 22 LEU HB3 1 26 GLN QB 4.800 . 5.280 2.694 2.254 3.027 . 0 0 "[ . 1 . 2]" 1
509 1 22 LEU HB3 1 27 ILE MD 4.880 . 5.370 3.394 2.983 3.781 . 0 0 "[ . 1 . 2]" 1
510 1 22 LEU HB3 1 27 ILE QG 4.570 . 5.030 2.547 2.262 2.827 . 0 0 "[ . 1 . 2]" 1
511 1 22 LEU MD1 1 23 GLY H 4.440 . 4.880 4.363 4.266 4.490 . 0 0 "[ . 1 . 2]" 1
512 1 22 LEU MD1 1 26 GLN HE21 4.820 . 5.300 4.190 3.513 5.131 . 0 0 "[ . 1 . 2]" 1
513 1 22 LEU MD1 1 26 GLN QE 4.170 . 4.590 3.444 2.836 4.168 . 0 0 "[ . 1 . 2]" 1
514 1 22 LEU MD1 1 26 GLN HE22 4.820 . 5.300 3.793 2.994 5.373 0.073 19 0 "[ . 1 . 2]" 1
515 1 22 LEU MD1 1 26 GLN QG 5.810 . 6.390 4.582 3.354 5.566 . 0 0 "[ . 1 . 2]" 1
516 1 22 LEU MD1 1 30 TYR QE 4.010 . 4.410 4.085 3.697 4.423 0.013 12 0 "[ . 1 . 2]" 1
517 1 22 LEU MD1 1 63 ILE MG 3.580 . 3.940 3.835 3.208 3.988 0.048 6 0 "[ . 1 . 2]" 1
518 1 22 LEU MD1 1 66 PHE QE 6.000 . 6.600 5.962 4.876 6.623 0.023 4 0 "[ . 1 . 2]" 1
519 1 22 LEU MD1 1 67 ILE HG12 4.150 . 4.570 3.186 2.501 3.850 . 0 0 "[ . 1 . 2]" 1
520 1 22 LEU MD2 1 23 GLY H 3.920 . 4.310 4.119 3.742 4.352 0.042 15 0 "[ . 1 . 2]" 1
521 1 22 LEU MD2 1 26 GLN QB 3.870 . 4.260 3.237 2.410 3.640 . 0 0 "[ . 1 . 2]" 1
522 1 22 LEU MD2 1 26 GLN QE 4.860 . 5.350 3.262 2.700 4.412 . 0 0 "[ . 1 . 2]" 1
523 1 22 LEU MD2 1 26 GLN QG 3.880 . 4.270 3.080 2.231 4.329 0.059 16 0 "[ . 1 . 2]" 1
524 1 22 LEU MD2 1 27 ILE H 4.970 . 5.470 4.097 3.838 4.324 . 0 0 "[ . 1 . 2]" 1
525 1 22 LEU MD2 1 27 ILE HA 4.630 . 5.090 3.274 3.062 3.502 . 0 0 "[ . 1 . 2]" 1
526 1 22 LEU MD2 1 27 ILE MD 3.640 . 4.000 3.650 3.327 3.981 . 0 0 "[ . 1 . 2]" 1
527 1 22 LEU MD2 1 27 ILE HG12 4.270 . 4.700 2.697 2.394 3.004 . 0 0 "[ . 1 . 2]" 1
528 1 22 LEU MD2 1 27 ILE QG 3.510 . 3.860 2.597 2.333 2.860 . 0 0 "[ . 1 . 2]" 1
529 1 22 LEU MD2 1 27 ILE HG13 4.270 . 4.700 3.395 3.110 3.634 . 0 0 "[ . 1 . 2]" 1
530 1 22 LEU MD2 1 27 ILE MG 3.750 . 4.130 3.985 3.762 4.184 0.054 2 0 "[ . 1 . 2]" 1
531 1 22 LEU MD2 1 30 TYR H 6.000 . 6.600 5.371 5.040 5.694 . 0 0 "[ . 1 . 2]" 1
532 1 22 LEU MD2 1 30 TYR HB3 6.000 . 6.600 5.205 4.591 5.513 . 0 0 "[ . 1 . 2]" 1
533 1 22 LEU MD2 1 30 TYR QD 4.130 . 4.540 2.743 2.463 3.067 . 0 0 "[ . 1 . 2]" 1
534 1 22 LEU MD2 1 30 TYR QE 3.250 . 3.580 2.187 1.865 2.648 . 0 0 "[ . 1 . 2]" 1
535 1 22 LEU MD2 1 35 TRP HH2 6.000 . 6.600 3.597 2.906 4.077 . 0 0 "[ . 1 . 2]" 1
536 1 22 LEU MD2 1 35 TRP HZ2 4.580 . 5.040 3.979 2.955 5.023 . 0 0 "[ . 1 . 2]" 1
537 1 22 LEU MD2 1 63 ILE MD 4.540 . 4.990 4.405 3.906 5.056 0.066 19 0 "[ . 1 . 2]" 1
538 1 22 LEU MD2 1 63 ILE MG 2.900 . 3.190 3.103 2.457 3.276 0.086 16 0 "[ . 1 . 2]" 1
539 1 22 LEU MD2 1 66 PHE QD 6.000 . 6.600 4.341 3.697 4.847 . 0 0 "[ . 1 . 2]" 1
540 1 22 LEU MD2 1 67 ILE HG13 6.000 . 6.600 4.243 3.524 5.174 . 0 0 "[ . 1 . 2]" 1
541 1 22 LEU HG 1 23 GLY H 4.720 . 5.190 3.601 3.457 3.752 . 0 0 "[ . 1 . 2]" 1
542 1 22 LEU HG 1 26 GLN QB 3.120 . 3.430 3.401 3.014 3.497 0.067 10 0 "[ . 1 . 2]" 1
543 1 22 LEU HG 1 26 GLN QG 4.490 . 4.940 3.328 1.798 4.542 0.002 19 0 "[ . 1 . 2]" 1
544 1 23 GLY H 1 24 ALA H 4.530 . 4.980 4.529 4.431 4.583 . 0 0 "[ . 1 . 2]" 1
545 1 23 GLY H 1 25 ARG H 4.750 . 5.220 5.196 5.053 5.287 0.067 5 0 "[ . 1 . 2]" 1
546 1 23 GLY H 1 26 GLN HB2 5.460 . 6.010 3.020 2.446 3.565 . 0 0 "[ . 1 . 2]" 1
547 1 23 GLY H 1 26 GLN QB 4.710 . 5.180 2.301 1.775 2.549 0.025 19 0 "[ . 1 . 2]" 1
548 1 23 GLY H 1 26 GLN HB3 5.460 . 6.010 2.570 1.793 3.907 0.007 19 0 "[ . 1 . 2]" 1
549 1 23 GLY H 1 26 GLN QG 4.180 . 4.600 3.802 2.050 4.439 . 0 0 "[ . 1 . 2]" 1
550 1 23 GLY QA 1 27 ILE MD 5.810 . 6.390 4.051 3.580 4.417 . 0 0 "[ . 1 . 2]" 1
551 1 23 GLY HA2 1 24 ALA H 2.940 . 3.230 2.405 2.326 2.495 . 0 0 "[ . 1 . 2]" 1
552 1 23 GLY HA2 1 24 ALA MB 4.770 . 5.250 4.175 4.118 4.222 . 0 0 "[ . 1 . 2]" 1
553 1 23 GLY HA3 1 24 ALA H 2.940 . 3.230 2.774 2.686 2.905 . 0 0 "[ . 1 . 2]" 1
554 1 23 GLY HA3 1 24 ALA MB 4.770 . 5.250 4.421 4.369 4.515 . 0 0 "[ . 1 . 2]" 1
555 1 24 ALA H 1 24 ALA MB 2.610 . 2.870 2.232 2.219 2.240 . 0 0 "[ . 1 . 2]" 1
556 1 24 ALA H 1 25 ARG H 5.870 . 6.460 2.889 2.765 2.977 . 0 0 "[ . 1 . 2]" 1
557 1 24 ALA H 1 26 GLN H 4.940 . 5.430 4.200 4.057 4.424 . 0 0 "[ . 1 . 2]" 1
558 1 24 ALA H 1 27 ILE MD 6.000 . 6.600 4.370 3.877 4.785 . 0 0 "[ . 1 . 2]" 1
559 1 24 ALA HA 1 26 GLN H 6.000 . 6.600 4.240 3.993 4.639 . 0 0 "[ . 1 . 2]" 1
560 1 24 ALA HA 1 27 ILE H 4.290 . 4.720 3.545 3.273 3.884 . 0 0 "[ . 1 . 2]" 1
561 1 24 ALA HA 1 27 ILE HB 3.780 . 4.160 2.955 2.505 3.312 . 0 0 "[ . 1 . 2]" 1
562 1 24 ALA HA 1 27 ILE MD 3.530 . 3.880 2.860 2.414 3.245 . 0 0 "[ . 1 . 2]" 1
563 1 24 ALA HA 1 27 ILE QG 5.100 . 5.610 3.439 3.080 3.773 . 0 0 "[ . 1 . 2]" 1
564 1 24 ALA HA 1 27 ILE MG 4.950 . 5.440 4.311 3.906 4.664 . 0 0 "[ . 1 . 2]" 1
565 1 24 ALA HA 1 28 GLU H 4.560 . 5.020 4.001 3.705 4.378 . 0 0 "[ . 1 . 2]" 1
566 1 24 ALA MB 1 25 ARG H 4.410 . 4.850 2.478 2.357 2.556 . 0 0 "[ . 1 . 2]" 1
567 1 24 ALA MB 1 27 ILE MD 4.410 . 4.850 4.027 3.535 4.367 . 0 0 "[ . 1 . 2]" 1
568 1 24 ALA MB 1 28 GLU H 6.000 . 6.600 4.557 4.285 4.860 . 0 0 "[ . 1 . 2]" 1
569 1 25 ARG H 1 25 ARG HD2 6.000 . 6.600 4.632 1.981 5.977 . 0 0 "[ . 1 . 2]" 1
570 1 25 ARG H 1 25 ARG HD3 6.000 . 6.600 4.551 3.090 6.012 . 0 0 "[ . 1 . 2]" 1
571 1 25 ARG H 1 26 GLN H 6.000 . 6.600 2.673 2.533 2.806 . 0 0 "[ . 1 . 2]" 1
572 1 25 ARG HA 1 25 ARG QD 4.750 . 5.220 3.975 1.952 4.606 . 0 0 "[ . 1 . 2]" 1
573 1 25 ARG HA 1 25 ARG QG 3.470 . 3.820 2.903 2.346 3.490 . 0 0 "[ . 1 . 2]" 1
574 1 25 ARG HA 1 28 GLU H 4.150 . 4.570 3.861 3.354 4.131 . 0 0 "[ . 1 . 2]" 1
575 1 25 ARG HA 1 28 GLU HB3 4.000 . 4.400 4.160 3.636 4.424 0.024 16 0 "[ . 1 . 2]" 1
576 1 25 ARG HA 1 28 GLU HG2 6.000 . 6.600 2.179 1.888 2.520 . 0 0 "[ . 1 . 2]" 1
577 1 25 ARG HA 1 28 GLU HG3 4.280 . 4.710 3.394 2.994 3.843 . 0 0 "[ . 1 . 2]" 1
578 1 25 ARG QB 1 25 ARG QD 2.960 . 3.260 2.319 2.138 2.810 . 0 0 "[ . 1 . 2]" 1
579 1 25 ARG QB 1 25 ARG QG 2.320 . 2.550 2.074 1.993 2.096 . 0 0 "[ . 1 . 2]" 1
580 1 25 ARG QB 1 26 GLN H 3.850 . 4.230 3.136 2.538 3.683 . 0 0 "[ . 1 . 2]" 1
581 1 25 ARG QG 1 26 GLN H 5.130 . 5.640 3.343 2.314 4.514 . 0 0 "[ . 1 . 2]" 1
582 1 25 ARG HG2 1 26 GLN H 6.000 . 6.600 3.747 2.720 5.227 . 0 0 "[ . 1 . 2]" 1
583 1 25 ARG HG3 1 26 GLN H 6.000 . 6.600 3.934 2.483 5.250 . 0 0 "[ . 1 . 2]" 1
584 1 26 GLN H 1 26 GLN HB2 3.890 . 4.280 2.526 2.394 2.684 . 0 0 "[ . 1 . 2]" 1
585 1 26 GLN H 1 26 GLN QB 3.300 . 3.630 2.299 2.236 2.440 . 0 0 "[ . 1 . 2]" 1
586 1 26 GLN H 1 26 GLN HB3 3.890 . 4.280 2.750 2.442 3.614 . 0 0 "[ . 1 . 2]" 1
587 1 26 GLN H 1 26 GLN HG2 4.740 . 5.210 4.322 2.366 4.613 . 0 0 "[ . 1 . 2]" 1
588 1 26 GLN H 1 26 GLN QG 3.990 . 4.390 3.745 2.284 4.020 . 0 0 "[ . 1 . 2]" 1
589 1 26 GLN H 1 26 GLN HG3 4.740 . 5.210 4.196 2.314 4.541 . 0 0 "[ . 1 . 2]" 1
590 1 26 GLN H 1 27 ILE H 3.640 . 4.000 2.529 2.374 2.742 . 0 0 "[ . 1 . 2]" 1
591 1 26 GLN H 1 27 ILE HB 5.840 . 6.420 4.757 4.562 4.991 . 0 0 "[ . 1 . 2]" 1
592 1 26 GLN H 1 28 GLU H 5.110 . 5.620 4.229 3.981 4.478 . 0 0 "[ . 1 . 2]" 1
593 1 26 GLN H 1 28 GLU HG3 6.000 . 6.600 5.558 5.375 6.063 . 0 0 "[ . 1 . 2]" 1
594 1 26 GLN HA 1 26 GLN HG2 3.890 . 4.280 3.057 2.570 3.841 . 0 0 "[ . 1 . 2]" 1
595 1 26 GLN HA 1 26 GLN QG 3.270 . 3.600 2.469 2.365 2.968 . 0 0 "[ . 1 . 2]" 1
596 1 26 GLN HA 1 26 GLN HG3 3.890 . 4.280 2.677 2.451 3.777 . 0 0 "[ . 1 . 2]" 1
597 1 26 GLN QB 1 27 ILE H 3.230 . 3.550 2.543 2.261 2.720 . 0 0 "[ . 1 . 2]" 1
598 1 26 GLN QG 1 27 ILE H 4.910 . 5.400 3.835 3.359 4.101 . 0 0 "[ . 1 . 2]" 1
599 1 26 GLN QG 1 30 TYR QE 5.040 . 5.540 2.621 1.796 4.456 0.004 4 0 "[ . 1 . 2]" 1
600 1 27 ILE H 1 27 ILE HB 3.090 . 3.400 2.559 2.498 2.649 . 0 0 "[ . 1 . 2]" 1
601 1 27 ILE H 1 27 ILE MD 3.760 . 4.140 3.618 3.532 3.686 . 0 0 "[ . 1 . 2]" 1
602 1 27 ILE H 1 27 ILE QG 3.520 . 3.870 2.096 1.939 2.204 . 0 0 "[ . 1 . 2]" 1
603 1 27 ILE H 1 27 ILE MG 3.950 . 4.350 3.789 3.779 3.803 . 0 0 "[ . 1 . 2]" 1
604 1 27 ILE H 1 28 GLU H 3.200 . 3.520 2.799 2.690 2.882 . 0 0 "[ . 1 . 2]" 1
605 1 27 ILE HA 1 27 ILE MD 4.320 . 4.750 3.828 3.803 3.863 . 0 0 "[ . 1 . 2]" 1
606 1 27 ILE HA 1 27 ILE QG 3.510 . 3.860 2.408 2.365 2.462 . 0 0 "[ . 1 . 2]" 1
607 1 27 ILE HA 1 27 ILE MG 3.480 . 3.830 2.422 2.376 2.462 . 0 0 "[ . 1 . 2]" 1
608 1 27 ILE HA 1 30 TYR H 5.820 . 6.400 3.405 3.281 3.513 . 0 0 "[ . 1 . 2]" 1
609 1 27 ILE HA 1 30 TYR HB3 6.000 . 6.600 4.619 4.129 4.949 . 0 0 "[ . 1 . 2]" 1
610 1 27 ILE HA 1 30 TYR QD 4.320 . 4.750 2.622 1.778 3.824 0.022 10 0 "[ . 1 . 2]" 1
611 1 27 ILE HA 1 30 TYR QE 6.000 . 6.600 4.304 3.366 4.950 . 0 0 "[ . 1 . 2]" 1
612 1 27 ILE HA 1 31 ARG H 5.340 . 5.870 4.301 4.112 4.531 . 0 0 "[ . 1 . 2]" 1
613 1 27 ILE HA 1 35 TRP HZ2 4.850 . 5.330 4.265 3.701 4.679 . 0 0 "[ . 1 . 2]" 1
614 1 27 ILE HB 1 27 ILE MD 3.140 . 3.450 2.453 2.432 2.473 . 0 0 "[ . 1 . 2]" 1
615 1 27 ILE HB 1 28 GLU H 3.190 . 3.510 2.504 2.370 2.720 . 0 0 "[ . 1 . 2]" 1
616 1 27 ILE HB 1 28 GLU HB3 4.710 . 5.180 4.316 4.197 4.543 . 0 0 "[ . 1 . 2]" 1
617 1 27 ILE HB 1 58 TYR QE 6.000 . 6.600 5.978 4.691 6.620 0.020 3 0 "[ . 1 . 2]" 1
618 1 27 ILE MD 1 27 ILE MG 2.950 . 3.250 1.939 1.905 1.966 . 0 0 "[ . 1 . 2]" 1
619 1 27 ILE MD 1 28 GLU H 4.710 . 5.180 4.538 4.410 4.718 . 0 0 "[ . 1 . 2]" 1
620 1 27 ILE QG 1 27 ILE MG 3.110 . 3.420 2.355 2.333 2.372 . 0 0 "[ . 1 . 2]" 1
621 1 27 ILE MG 1 28 GLU H 3.550 . 3.900 3.321 3.123 3.481 . 0 0 "[ . 1 . 2]" 1
622 1 27 ILE MG 1 28 GLU HA 4.710 . 5.180 3.384 3.222 3.541 . 0 0 "[ . 1 . 2]" 1
623 1 27 ILE MG 1 28 GLU HB3 4.720 . 5.190 4.441 4.150 4.626 . 0 0 "[ . 1 . 2]" 1
624 1 27 ILE MG 1 31 ARG H 4.950 . 5.440 3.928 3.697 4.308 . 0 0 "[ . 1 . 2]" 1
625 1 27 ILE MG 1 31 ARG QD 3.900 . 4.290 2.569 1.903 3.612 . 0 0 "[ . 1 . 2]" 1
626 1 27 ILE MG 1 35 TRP HE3 6.000 . 6.600 5.934 5.620 6.267 . 0 0 "[ . 1 . 2]" 1
627 1 27 ILE MG 1 35 TRP HH2 6.000 . 6.600 4.575 3.717 5.187 . 0 0 "[ . 1 . 2]" 1
628 1 27 ILE MG 1 35 TRP HZ3 5.450 . 6.000 5.851 5.357 6.046 0.046 9 0 "[ . 1 . 2]" 1
629 1 27 ILE MG 1 58 TYR QD 6.000 . 6.600 4.258 3.527 4.707 . 0 0 "[ . 1 . 2]" 1
630 1 27 ILE MG 1 58 TYR QE 3.870 . 4.260 3.553 2.305 4.236 . 0 0 "[ . 1 . 2]" 1
631 1 27 ILE MG 1 63 ILE MD 4.560 . 5.020 4.000 3.561 5.031 0.011 19 0 "[ . 1 . 2]" 1
632 1 28 GLU H 1 28 GLU HB3 2.660 . 2.930 2.537 2.447 2.617 . 0 0 "[ . 1 . 2]" 1
633 1 28 GLU H 1 28 GLU HG2 3.040 . 3.340 2.245 2.086 2.469 . 0 0 "[ . 1 . 2]" 1
634 1 28 GLU H 1 28 GLU HG3 3.640 . 4.000 3.372 3.223 3.605 . 0 0 "[ . 1 . 2]" 1
635 1 28 GLU H 1 29 SER H 3.060 . 3.370 2.745 2.666 2.863 . 0 0 "[ . 1 . 2]" 1
636 1 28 GLU H 1 29 SER HA 5.550 . 6.110 5.357 5.296 5.449 . 0 0 "[ . 1 . 2]" 1
637 1 28 GLU H 1 31 ARG H 4.940 . 5.430 4.677 4.507 4.823 . 0 0 "[ . 1 . 2]" 1
638 1 28 GLU HA 1 28 GLU HG2 3.860 . 4.250 3.789 3.738 3.870 . 0 0 "[ . 1 . 2]" 1
639 1 28 GLU HA 1 28 GLU HG3 3.700 . 4.070 3.742 3.681 3.796 . 0 0 "[ . 1 . 2]" 1
640 1 28 GLU HA 1 30 TYR H 5.720 . 6.290 4.380 3.950 4.659 . 0 0 "[ . 1 . 2]" 1
641 1 28 GLU HA 1 31 ARG H 4.740 . 5.210 3.180 2.882 3.570 . 0 0 "[ . 1 . 2]" 1
642 1 28 GLU HA 1 31 ARG HB2 3.830 . 4.210 2.376 1.951 2.828 . 0 0 "[ . 1 . 2]" 1
643 1 28 GLU HA 1 31 ARG QD 5.110 . 5.620 2.588 1.743 3.898 0.057 3 0 "[ . 1 . 2]" 1
644 1 28 GLU HA 1 31 ARG QG 4.970 . 5.470 2.725 2.127 3.122 . 0 0 "[ . 1 . 2]" 1
645 1 28 GLU HA 1 32 GLN H 6.000 . 6.600 4.754 4.324 5.174 . 0 0 "[ . 1 . 2]" 1
646 1 28 GLU HB2 1 28 GLU HG3 2.650 . 2.920 2.470 2.428 2.516 . 0 0 "[ . 1 . 2]" 1
647 1 28 GLU HB2 1 29 SER H 4.430 . 4.870 3.879 3.736 4.142 . 0 0 "[ . 1 . 2]" 1
648 1 28 GLU HB2 1 29 SER HB2 6.000 . 6.600 5.695 5.319 6.057 . 0 0 "[ . 1 . 2]" 1
649 1 28 GLU HB2 1 31 ARG HB2 5.040 . 5.540 4.003 3.620 4.485 . 0 0 "[ . 1 . 2]" 1
650 1 28 GLU HB3 1 28 GLU HG2 2.670 . 2.940 2.425 2.383 2.463 . 0 0 "[ . 1 . 2]" 1
651 1 28 GLU HB3 1 29 SER H 4.750 . 5.220 4.013 3.868 4.119 . 0 0 "[ . 1 . 2]" 1
652 1 28 GLU HB3 1 29 SER HB2 6.000 . 6.600 6.194 6.044 6.305 . 0 0 "[ . 1 . 2]" 1
653 1 28 GLU HG2 1 29 SER H 3.310 . 3.640 2.741 2.582 2.872 . 0 0 "[ . 1 . 2]" 1
654 1 28 GLU HG2 1 30 TYR H 6.000 . 6.600 5.313 5.134 5.559 . 0 0 "[ . 1 . 2]" 1
655 1 28 GLU HG3 1 29 SER H 4.260 . 4.690 2.420 2.162 2.866 . 0 0 "[ . 1 . 2]" 1
656 1 29 SER H 1 29 SER HB2 3.150 . 3.470 2.580 2.514 2.636 . 0 0 "[ . 1 . 2]" 1
657 1 29 SER H 1 29 SER HB3 2.970 . 3.270 2.543 2.476 2.621 . 0 0 "[ . 1 . 2]" 1
658 1 29 SER H 1 30 TYR H 3.260 . 3.590 2.731 2.594 2.875 . 0 0 "[ . 1 . 2]" 1
659 1 29 SER H 1 31 ARG HB2 5.010 . 5.510 4.938 4.567 5.312 . 0 0 "[ . 1 . 2]" 1
660 1 29 SER HA 1 32 GLN H 5.040 . 5.540 3.827 3.379 4.161 . 0 0 "[ . 1 . 2]" 1
661 1 29 SER HA 1 32 GLN QB 4.110 . 4.520 3.619 2.772 4.110 . 0 0 "[ . 1 . 2]" 1
662 1 29 SER HA 1 32 GLN QG 4.900 . 5.390 3.236 2.353 4.505 . 0 0 "[ . 1 . 2]" 1
663 1 29 SER HB2 1 30 TYR H 3.660 . 4.030 3.884 3.758 4.045 0.015 8 0 "[ . 1 . 2]" 1
664 1 29 SER HB3 1 30 TYR H 3.420 . 3.760 2.571 2.326 2.902 . 0 0 "[ . 1 . 2]" 1
665 1 29 SER HB3 1 32 GLN H 6.000 . 6.600 5.634 5.338 5.918 . 0 0 "[ . 1 . 2]" 1
666 1 29 SER HB3 1 32 GLN QB 5.810 . 6.390 5.884 5.270 6.430 0.040 8 0 "[ . 1 . 2]" 1
667 1 30 TYR H 1 30 TYR HB2 3.490 . 3.840 2.465 2.359 2.550 . 0 0 "[ . 1 . 2]" 1
668 1 30 TYR H 1 30 TYR HB3 3.850 . 4.230 3.613 3.585 3.635 . 0 0 "[ . 1 . 2]" 1
669 1 30 TYR H 1 30 TYR QD 3.930 . 4.320 3.103 1.904 3.374 . 0 0 "[ . 1 . 2]" 1
670 1 30 TYR H 1 30 TYR QE 6.000 . 6.600 4.614 4.143 4.897 . 0 0 "[ . 1 . 2]" 1
671 1 30 TYR H 1 31 ARG H 3.250 . 3.580 2.577 2.343 2.732 . 0 0 "[ . 1 . 2]" 1
672 1 30 TYR H 1 31 ARG HB2 4.830 . 5.310 4.737 4.362 4.996 . 0 0 "[ . 1 . 2]" 1
673 1 30 TYR H 1 32 GLN H 4.290 . 4.720 4.112 3.932 4.304 . 0 0 "[ . 1 . 2]" 1
674 1 30 TYR H 1 32 GLN QB 5.810 . 6.390 5.374 5.016 5.658 . 0 0 "[ . 1 . 2]" 1
675 1 30 TYR HA 1 30 TYR QD 3.440 . 3.780 2.151 1.875 2.634 . 0 0 "[ . 1 . 2]" 1
676 1 30 TYR HA 1 30 TYR QE 4.460 . 4.910 4.370 4.225 4.542 . 0 0 "[ . 1 . 2]" 1
677 1 30 TYR HA 1 33 GLY H 4.560 . 5.020 3.737 2.974 4.172 . 0 0 "[ . 1 . 2]" 1
678 1 30 TYR HA 1 33 GLY HA3 6.000 . 6.600 5.076 3.911 6.363 . 0 0 "[ . 1 . 2]" 1
679 1 30 TYR HA 1 34 ALA H 4.280 . 4.710 3.403 2.814 4.543 . 0 0 "[ . 1 . 2]" 1
680 1 30 TYR HA 1 34 ALA MB 3.620 . 3.980 2.925 2.501 3.577 . 0 0 "[ . 1 . 2]" 1
681 1 30 TYR HB2 1 31 ARG H 3.230 . 3.550 2.908 2.744 3.192 . 0 0 "[ . 1 . 2]" 1
682 1 30 TYR HB2 1 34 ALA MB 4.670 . 5.140 3.809 3.490 4.404 . 0 0 "[ . 1 . 2]" 1
683 1 30 TYR HB3 1 31 ARG H 4.170 . 4.590 3.834 3.648 4.093 . 0 0 "[ . 1 . 2]" 1
684 1 30 TYR HB3 1 34 ALA MB 4.410 . 4.850 2.272 1.936 2.829 . 0 0 "[ . 1 . 2]" 1
685 1 30 TYR QD 1 31 ARG H 5.170 . 5.690 4.527 4.278 4.688 . 0 0 "[ . 1 . 2]" 1
686 1 30 TYR QD 1 34 ALA MB 3.720 . 4.090 3.050 2.294 3.789 . 0 0 "[ . 1 . 2]" 1
687 1 30 TYR QD 1 35 TRP HZ2 5.470 . 6.020 4.143 3.417 5.156 . 0 0 "[ . 1 . 2]" 1
688 1 30 TYR QE 1 34 ALA MB 4.640 . 5.100 4.495 3.862 5.119 0.019 5 0 "[ . 1 . 2]" 1
689 1 30 TYR QE 1 63 ILE MG 5.440 . 5.980 5.112 3.919 5.716 . 0 0 "[ . 1 . 2]" 1
690 1 30 TYR QE 1 66 PHE QE 3.890 . 4.280 3.105 2.485 3.834 . 0 0 "[ . 1 . 2]" 1
691 1 31 ARG H 1 31 ARG HB2 2.750 . 3.030 2.445 2.321 2.604 . 0 0 "[ . 1 . 2]" 1
692 1 31 ARG H 1 31 ARG QD 5.150 . 5.670 4.023 3.649 4.461 . 0 0 "[ . 1 . 2]" 1
693 1 31 ARG H 1 31 ARG QG 3.240 . 3.560 2.368 2.096 2.596 . 0 0 "[ . 1 . 2]" 1
694 1 31 ARG H 1 32 GLN H 3.390 . 3.730 2.691 2.566 2.769 . 0 0 "[ . 1 . 2]" 1
695 1 31 ARG H 1 34 ALA H 5.480 . 6.030 5.239 4.891 5.653 . 0 0 "[ . 1 . 2]" 1
696 1 31 ARG HA 1 31 ARG HG2 4.180 . 4.600 2.506 2.374 2.639 . 0 0 "[ . 1 . 2]" 1
697 1 31 ARG HA 1 31 ARG QG 3.580 . 3.940 2.387 2.302 2.474 . 0 0 "[ . 1 . 2]" 1
698 1 31 ARG HA 1 31 ARG HG3 4.180 . 4.600 3.036 2.844 3.281 . 0 0 "[ . 1 . 2]" 1
699 1 31 ARG HA 1 33 GLY H 5.940 . 6.530 3.724 3.201 4.288 . 0 0 "[ . 1 . 2]" 1
700 1 31 ARG HA 1 34 ALA H 6.000 . 6.600 4.574 3.329 5.353 . 0 0 "[ . 1 . 2]" 1
701 1 31 ARG HA 1 34 ALA MB 6.000 . 6.600 4.686 4.243 5.414 . 0 0 "[ . 1 . 2]" 1
702 1 31 ARG HA 1 35 TRP H 4.090 . 4.500 3.119 2.775 3.518 . 0 0 "[ . 1 . 2]" 1
703 1 31 ARG HA 1 35 TRP HB2 3.850 . 4.230 1.895 1.608 2.505 0.192 1 0 "[ . 1 . 2]" 1
704 1 31 ARG HA 1 35 TRP HD1 5.370 . 5.910 3.562 2.980 4.435 . 0 0 "[ . 1 . 2]" 1
705 1 31 ARG HA 1 35 TRP HE3 4.130 . 4.540 4.447 3.901 4.647 0.107 9 0 "[ . 1 . 2]" 1
706 1 31 ARG HA 1 41 PHE QE 5.470 . 6.020 4.848 4.013 5.666 . 0 0 "[ . 1 . 2]" 1
707 1 31 ARG HB2 1 32 GLN H 3.620 . 3.980 3.213 2.814 3.463 . 0 0 "[ . 1 . 2]" 1
708 1 31 ARG HB2 1 32 GLN QG 5.810 . 6.390 3.755 2.906 5.408 . 0 0 "[ . 1 . 2]" 1
709 1 31 ARG HB3 1 31 ARG QD 3.640 . 4.000 2.712 2.254 3.095 . 0 0 "[ . 1 . 2]" 1
710 1 31 ARG HB3 1 32 GLN H 4.380 . 4.820 3.993 3.764 4.161 . 0 0 "[ . 1 . 2]" 1
711 1 31 ARG HB3 1 32 GLN QG 5.680 . 6.250 4.608 3.702 5.943 . 0 0 "[ . 1 . 2]" 1
712 1 31 ARG HB3 1 58 TYR QE 6.000 . 6.600 5.175 4.476 5.881 . 0 0 "[ . 1 . 2]" 1
713 1 31 ARG QD 1 35 TRP HD1 5.180 . 5.700 3.652 2.945 4.686 . 0 0 "[ . 1 . 2]" 1
714 1 31 ARG QD 1 58 TYR QE 3.710 . 4.080 3.264 2.393 4.152 0.072 3 0 "[ . 1 . 2]" 1
715 1 31 ARG QG 1 35 TRP HE3 5.220 . 5.740 5.178 4.666 5.568 . 0 0 "[ . 1 . 2]" 1
716 1 31 ARG HG2 1 35 TRP HE3 6.000 . 6.600 5.692 4.957 6.114 . 0 0 "[ . 1 . 2]" 1
717 1 31 ARG HG3 1 35 TRP HE3 6.000 . 6.600 5.988 5.690 6.683 0.083 15 0 "[ . 1 . 2]" 1
718 1 32 GLN H 1 32 GLN HB2 3.590 . 3.950 2.661 2.422 3.632 . 0 0 "[ . 1 . 2]" 1
719 1 32 GLN H 1 32 GLN QB 2.810 . 3.090 2.457 2.385 2.560 . 0 0 "[ . 1 . 2]" 1
720 1 32 GLN H 1 32 GLN HB3 3.590 . 3.950 3.465 2.467 3.694 . 0 0 "[ . 1 . 2]" 1
721 1 32 GLN H 1 32 GLN HG2 3.780 . 4.160 3.138 2.138 3.975 . 0 0 "[ . 1 . 2]" 1
722 1 32 GLN H 1 32 GLN QG 3.020 . 3.320 2.335 2.113 2.747 . 0 0 "[ . 1 . 2]" 1
723 1 32 GLN H 1 32 GLN HG3 3.780 . 4.160 2.828 2.151 3.843 . 0 0 "[ . 1 . 2]" 1
724 1 32 GLN H 1 33 GLY H 2.900 . 3.190 2.603 2.153 2.768 . 0 0 "[ . 1 . 2]" 1
725 1 32 GLN HA 1 32 GLN HG2 3.620 . 3.980 2.866 2.502 3.778 . 0 0 "[ . 1 . 2]" 1
726 1 32 GLN HA 1 32 GLN HG3 3.620 . 3.980 3.316 2.933 3.804 . 0 0 "[ . 1 . 2]" 1
727 1 32 GLN QB 1 32 GLN QE 3.770 . 4.150 3.050 1.855 3.546 . 0 0 "[ . 1 . 2]" 1
728 1 32 GLN HB2 1 33 GLY H 4.160 . 4.580 3.560 2.815 4.317 . 0 0 "[ . 1 . 2]" 1
729 1 32 GLN HB3 1 33 GLY H 4.160 . 4.580 4.214 3.796 4.453 . 0 0 "[ . 1 . 2]" 1
730 1 32 GLN QG 1 33 GLY H 4.920 . 5.410 4.104 2.593 4.534 . 0 0 "[ . 1 . 2]" 1
731 1 33 GLY H 1 33 GLY HA3 2.850 . 3.130 2.734 2.629 2.850 . 0 0 "[ . 1 . 2]" 1
732 1 33 GLY H 1 34 ALA H 3.350 . 3.690 2.338 1.822 2.957 . 0 0 "[ . 1 . 2]" 1
733 1 33 GLY H 1 34 ALA MB 5.380 . 5.920 3.910 3.531 4.560 . 0 0 "[ . 1 . 2]" 1
734 1 33 GLY H 1 35 TRP H 5.850 . 6.430 3.197 2.856 3.734 . 0 0 "[ . 1 . 2]" 1
735 1 33 GLY HA2 1 35 TRP H 4.950 . 5.440 4.550 4.027 5.112 . 0 0 "[ . 1 . 2]" 1
736 1 33 GLY HA3 1 34 ALA H 3.440 . 3.780 2.895 2.337 3.547 . 0 0 "[ . 1 . 2]" 1
737 1 33 GLY HA3 1 34 ALA MB 4.620 . 5.080 4.274 3.964 4.628 . 0 0 "[ . 1 . 2]" 1
738 1 33 GLY HA3 1 35 TRP H 4.570 . 5.030 4.797 4.182 5.201 0.171 11 0 "[ . 1 . 2]" 1
739 1 34 ALA H 1 34 ALA MB 2.830 . 3.110 2.362 2.225 2.923 . 0 0 "[ . 1 . 2]" 1
740 1 34 ALA H 1 35 TRP H 3.180 . 3.500 2.468 1.757 2.908 0.043 10 0 "[ . 1 . 2]" 1
741 1 34 ALA MB 1 35 TRP H 3.160 . 3.480 2.726 2.392 3.054 . 0 0 "[ . 1 . 2]" 1
742 1 34 ALA MB 1 35 TRP HA 3.990 . 4.390 3.909 3.851 3.984 . 0 0 "[ . 1 . 2]" 1
743 1 35 TRP H 1 35 TRP HB2 3.200 . 3.520 2.225 2.144 2.294 . 0 0 "[ . 1 . 2]" 1
744 1 35 TRP H 1 35 TRP HZ3 6.000 . 6.600 4.787 4.539 5.294 . 0 0 "[ . 1 . 2]" 1
745 1 35 TRP H 1 36 ILE H 6.000 . 6.600 4.433 4.292 4.639 . 0 0 "[ . 1 . 2]" 1
746 1 35 TRP H 1 41 PHE QD 6.000 . 6.600 5.630 5.161 6.043 . 0 0 "[ . 1 . 2]" 1
747 1 35 TRP HA 1 35 TRP HE3 4.220 . 4.640 2.354 1.945 2.665 . 0 0 "[ . 1 . 2]" 1
748 1 35 TRP HA 1 36 ILE H 3.460 . 3.810 2.174 2.117 2.281 . 0 0 "[ . 1 . 2]" 1
749 1 35 TRP HA 1 36 ILE MD 4.930 . 5.420 5.087 4.796 5.293 . 0 0 "[ . 1 . 2]" 1
750 1 35 TRP HA 1 40 HIS HB2 6.000 . 6.600 2.767 2.231 3.383 . 0 0 "[ . 1 . 2]" 1
751 1 35 TRP HB3 1 36 ILE H 4.560 . 5.020 3.562 2.902 3.858 . 0 0 "[ . 1 . 2]" 1
752 1 35 TRP HB3 1 40 HIS HB2 4.610 . 5.070 4.075 3.451 4.612 . 0 0 "[ . 1 . 2]" 1
753 1 35 TRP HB3 1 40 HIS HB3 5.730 . 6.300 4.671 3.878 5.472 . 0 0 "[ . 1 . 2]" 1
754 1 35 TRP HB3 1 41 PHE QD 4.660 . 5.130 2.554 1.902 3.119 . 0 0 "[ . 1 . 2]" 1
755 1 35 TRP HB3 1 41 PHE QE 5.070 . 5.580 2.041 1.762 2.670 0.038 1 0 "[ . 1 . 2]" 1
756 1 35 TRP HD1 1 58 TYR QD 4.260 . 4.690 3.260 2.530 4.293 . 0 0 "[ . 1 . 2]" 1
757 1 35 TRP HD1 1 58 TYR QE 3.770 . 4.150 2.201 1.775 3.399 0.025 9 0 "[ . 1 . 2]" 1
758 1 35 TRP HE3 1 36 ILE MD 6.000 . 6.600 6.079 5.876 6.441 . 0 0 "[ . 1 . 2]" 1
759 1 35 TRP HE3 1 41 PHE QD 6.000 . 6.600 5.486 4.813 5.912 . 0 0 "[ . 1 . 2]" 1
760 1 35 TRP HH2 1 63 ILE MD 4.690 . 5.160 3.531 2.753 4.280 . 0 0 "[ . 1 . 2]" 1
761 1 35 TRP HH2 1 63 ILE MG 4.910 . 5.400 2.211 1.904 2.595 . 0 0 "[ . 1 . 2]" 1
762 1 35 TRP HZ2 1 58 TYR QD 6.000 . 6.600 4.647 3.686 5.426 . 0 0 "[ . 1 . 2]" 1
763 1 35 TRP HZ2 1 63 ILE MG 3.760 . 4.140 2.954 2.209 3.832 . 0 0 "[ . 1 . 2]" 1
764 1 35 TRP HZ3 1 40 HIS HB2 6.000 . 6.600 6.179 5.087 6.643 0.043 9 0 "[ . 1 . 2]" 1
765 1 35 TRP HZ3 1 40 HIS HB3 5.450 . 6.000 5.393 4.218 6.032 0.032 1 0 "[ . 1 . 2]" 1
766 1 35 TRP HZ3 1 63 ILE HB 6.000 . 6.600 6.540 5.930 6.670 0.070 20 0 "[ . 1 . 2]" 1
767 1 35 TRP HZ3 1 63 ILE MD 5.820 . 6.400 4.970 4.273 5.378 . 0 0 "[ . 1 . 2]" 1
768 1 36 ILE H 1 36 ILE HB 3.920 . 4.310 2.637 2.510 2.831 . 0 0 "[ . 1 . 2]" 1
769 1 36 ILE H 1 36 ILE MD 4.270 . 4.700 3.901 3.578 4.314 . 0 0 "[ . 1 . 2]" 1
770 1 36 ILE H 1 36 ILE HG12 4.510 . 4.960 3.793 3.473 4.202 . 0 0 "[ . 1 . 2]" 1
771 1 36 ILE H 1 36 ILE HG13 4.240 . 4.660 2.619 2.187 3.184 . 0 0 "[ . 1 . 2]" 1
772 1 36 ILE H 1 36 ILE MG 3.920 . 4.310 3.852 3.780 3.934 . 0 0 "[ . 1 . 2]" 1
773 1 36 ILE H 1 39 VAL H 5.420 . 5.960 5.243 4.702 5.961 0.001 19 0 "[ . 1 . 2]" 1
774 1 36 ILE H 1 40 HIS H 4.380 . 4.820 3.380 2.918 4.010 . 0 0 "[ . 1 . 2]" 1
775 1 36 ILE H 1 40 HIS HA 6.000 . 6.600 4.910 4.558 5.341 . 0 0 "[ . 1 . 2]" 1
776 1 36 ILE H 1 40 HIS HB2 5.920 . 6.510 2.066 1.699 2.736 0.101 14 0 "[ . 1 . 2]" 1
777 1 36 ILE H 1 40 HIS HB3 6.000 . 6.600 3.564 2.856 4.152 . 0 0 "[ . 1 . 2]" 1
778 1 36 ILE H 1 40 HIS HD2 6.000 . 6.600 4.155 2.307 5.485 . 0 0 "[ . 1 . 2]" 1
779 1 36 ILE HA 1 36 ILE MD 3.910 . 4.300 3.868 3.832 3.891 . 0 0 "[ . 1 . 2]" 1
780 1 36 ILE HA 1 36 ILE HG12 3.870 . 4.260 2.594 2.526 2.633 . 0 0 "[ . 1 . 2]" 1
781 1 36 ILE HA 1 36 ILE HG13 3.390 . 3.730 3.071 3.006 3.127 . 0 0 "[ . 1 . 2]" 1
782 1 36 ILE HA 1 36 ILE MG 3.250 . 3.580 2.400 2.369 2.457 . 0 0 "[ . 1 . 2]" 1
783 1 36 ILE HA 1 37 GLU H 2.780 . 3.060 2.205 2.169 2.249 . 0 0 "[ . 1 . 2]" 1
784 1 36 ILE HA 1 37 GLU HA 6.000 . 6.600 4.400 4.354 4.432 . 0 0 "[ . 1 . 2]" 1
785 1 36 ILE HA 1 37 GLU QB 5.810 . 6.390 4.409 4.082 4.572 . 0 0 "[ . 1 . 2]" 1
786 1 36 ILE HB 1 36 ILE MD 2.940 . 3.230 2.426 2.404 2.443 . 0 0 "[ . 1 . 2]" 1
787 1 36 ILE HB 1 37 GLU H 4.180 . 4.600 4.160 4.017 4.269 . 0 0 "[ . 1 . 2]" 1
788 1 36 ILE HB 1 39 VAL H 4.460 . 4.910 3.804 3.475 4.098 . 0 0 "[ . 1 . 2]" 1
789 1 36 ILE HB 1 39 VAL HB 3.530 . 3.880 2.198 1.902 2.517 . 0 0 "[ . 1 . 2]" 1
790 1 36 ILE HB 1 39 VAL MG1 3.320 . 3.650 3.432 3.255 3.667 0.017 7 0 "[ . 1 . 2]" 1
791 1 36 ILE HB 1 39 VAL MG2 3.420 . 3.760 3.221 2.898 3.641 . 0 0 "[ . 1 . 2]" 1
792 1 36 ILE HB 1 40 HIS H 4.080 . 4.490 3.006 2.596 3.281 . 0 0 "[ . 1 . 2]" 1
793 1 36 ILE MD 1 36 ILE MG 2.530 . 2.780 1.956 1.936 1.979 . 0 0 "[ . 1 . 2]" 1
794 1 36 ILE MD 1 37 GLU H 5.110 . 5.620 5.140 4.988 5.291 . 0 0 "[ . 1 . 2]" 1
795 1 36 ILE MD 1 39 VAL HB 3.670 . 4.040 3.480 3.129 3.703 . 0 0 "[ . 1 . 2]" 1
796 1 36 ILE MD 1 39 VAL MG1 3.600 . 3.960 3.252 2.840 3.636 . 0 0 "[ . 1 . 2]" 1
797 1 36 ILE MD 1 39 VAL MG2 3.270 . 3.600 3.273 2.907 3.587 . 0 0 "[ . 1 . 2]" 1
798 1 36 ILE MD 1 40 HIS H 5.190 . 5.710 4.771 4.363 5.052 . 0 0 "[ . 1 . 2]" 1
799 1 36 ILE MD 1 41 PHE H 6.000 . 6.600 6.529 6.336 6.652 0.052 1 0 "[ . 1 . 2]" 1
800 1 36 ILE HG12 1 36 ILE MG 3.430 . 3.770 2.402 2.378 2.419 . 0 0 "[ . 1 . 2]" 1
801 1 36 ILE HG12 1 37 GLU H 6.000 . 6.600 4.495 4.301 4.610 . 0 0 "[ . 1 . 2]" 1
802 1 36 ILE HG12 1 39 VAL MG2 4.680 . 5.150 5.037 4.758 5.190 0.040 14 0 "[ . 1 . 2]" 1
803 1 36 ILE HG13 1 36 ILE MG 3.370 . 3.710 3.219 3.214 3.221 . 0 0 "[ . 1 . 2]" 1
804 1 36 ILE HG13 1 37 GLU H 5.790 . 6.370 5.117 5.034 5.192 . 0 0 "[ . 1 . 2]" 1
805 1 36 ILE HG13 1 39 VAL MG1 6.000 . 6.600 4.857 4.545 5.292 . 0 0 "[ . 1 . 2]" 1
806 1 36 ILE HG13 1 39 VAL MG2 6.000 . 6.600 5.041 4.645 5.452 . 0 0 "[ . 1 . 2]" 1
807 1 36 ILE HG13 1 40 HIS HD2 6.000 . 6.600 5.121 2.805 6.614 0.014 5 0 "[ . 1 . 2]" 1
808 1 36 ILE MG 1 37 GLU H 3.330 . 3.660 2.653 2.422 2.859 . 0 0 "[ . 1 . 2]" 1
809 1 36 ILE MG 1 37 GLU HA 5.050 . 5.560 4.142 4.029 4.265 . 0 0 "[ . 1 . 2]" 1
810 1 36 ILE MG 1 39 VAL H 4.040 . 4.440 3.001 2.814 3.305 . 0 0 "[ . 1 . 2]" 1
811 1 36 ILE MG 1 39 VAL HA 6.000 . 6.600 4.844 4.629 5.169 . 0 0 "[ . 1 . 2]" 1
812 1 36 ILE MG 1 39 VAL HB 3.480 . 3.830 2.821 2.413 3.246 . 0 0 "[ . 1 . 2]" 1
813 1 36 ILE MG 1 39 VAL MG1 3.940 . 4.330 3.710 3.302 4.158 . 0 0 "[ . 1 . 2]" 1
814 1 36 ILE MG 1 39 VAL MG2 2.870 . 3.160 2.352 2.211 2.643 . 0 0 "[ . 1 . 2]" 1
815 1 36 ILE MG 1 40 HIS H 4.570 . 5.030 3.781 3.322 4.122 . 0 0 "[ . 1 . 2]" 1
816 1 37 GLU H 1 37 GLU HB2 3.740 . 4.110 3.287 2.192 3.647 . 0 0 "[ . 1 . 2]" 1
817 1 37 GLU H 1 37 GLU QB 3.010 . 3.310 2.476 2.135 2.601 . 0 0 "[ . 1 . 2]" 1
818 1 37 GLU H 1 37 GLU HB3 3.740 . 4.110 2.741 2.461 3.626 . 0 0 "[ . 1 . 2]" 1
819 1 37 GLU H 1 37 GLU QG 4.850 . 5.330 2.467 2.013 3.994 . 0 0 "[ . 1 . 2]" 1
820 1 37 GLU H 1 38 GLY H 4.680 . 5.150 4.635 4.594 4.669 . 0 0 "[ . 1 . 2]" 1
821 1 37 GLU H 1 39 VAL MG1 6.000 . 6.600 6.471 6.295 6.620 0.020 7 0 "[ . 1 . 2]" 1
822 1 37 GLU HA 1 38 GLY H 2.880 . 3.170 2.244 2.177 2.355 . 0 0 "[ . 1 . 2]" 1
823 1 37 GLU HA 1 39 VAL H 4.170 . 4.590 3.795 3.104 4.232 . 0 0 "[ . 1 . 2]" 1
824 1 37 GLU HA 1 41 PHE H 4.270 . 4.700 3.397 2.735 3.916 . 0 0 "[ . 1 . 2]" 1
825 1 37 GLU QB 1 38 GLY H 3.340 . 3.670 2.969 2.575 3.694 0.024 1 0 "[ . 1 . 2]" 1
826 1 37 GLU QB 1 38 GLY QA 4.250 . 4.680 3.921 3.671 4.245 . 0 0 "[ . 1 . 2]" 1
827 1 37 GLU QB 1 41 PHE QE 5.610 . 6.170 3.367 2.608 4.563 . 0 0 "[ . 1 . 2]" 1
828 1 37 GLU QB 1 41 PHE HZ 5.300 . 5.830 3.250 2.674 4.813 . 0 0 "[ . 1 . 2]" 1
829 1 37 GLU QG 1 38 GLY H 5.080 . 5.590 3.756 2.165 4.222 . 0 0 "[ . 1 . 2]" 1
830 1 37 GLU HG2 1 38 GLY H 5.850 . 6.430 4.613 2.362 5.183 . 0 0 "[ . 1 . 2]" 1
831 1 37 GLU HG3 1 38 GLY H 5.850 . 6.430 4.081 2.514 5.178 . 0 0 "[ . 1 . 2]" 1
832 1 38 GLY H 1 39 VAL H 3.320 . 3.650 3.279 2.712 3.611 . 0 0 "[ . 1 . 2]" 1
833 1 38 GLY H 1 40 HIS H 4.800 . 5.280 4.535 4.038 4.858 . 0 0 "[ . 1 . 2]" 1
834 1 38 GLY H 1 41 PHE H 3.790 . 4.170 3.430 3.185 3.587 . 0 0 "[ . 1 . 2]" 1
835 1 38 GLY H 1 42 LYS H 6.000 . 6.600 4.715 4.257 4.945 . 0 0 "[ . 1 . 2]" 1
836 1 38 GLY H 1 42 LYS HA 3.710 . 4.080 2.922 2.287 3.414 . 0 0 "[ . 1 . 2]" 1
837 1 38 GLY H 1 42 LYS HB2 5.880 . 6.470 4.271 3.211 5.703 . 0 0 "[ . 1 . 2]" 1
838 1 38 GLY H 1 42 LYS QB 5.080 . 5.590 3.316 2.310 4.789 . 0 0 "[ . 1 . 2]" 1
839 1 38 GLY H 1 42 LYS HB3 5.880 . 6.470 3.536 2.336 5.146 . 0 0 "[ . 1 . 2]" 1
840 1 38 GLY QA 1 39 VAL MG2 4.450 . 4.890 3.471 3.262 3.581 . 0 0 "[ . 1 . 2]" 1
841 1 38 GLY QA 1 42 LYS QB 4.990 . 5.490 2.972 1.900 4.047 . 0 0 "[ . 1 . 2]" 1
842 1 39 VAL H 1 39 VAL HB 3.210 . 3.530 2.584 2.526 2.719 . 0 0 "[ . 1 . 2]" 1
843 1 39 VAL H 1 39 VAL MG1 4.030 . 4.430 3.810 3.768 3.903 . 0 0 "[ . 1 . 2]" 1
844 1 39 VAL H 1 39 VAL MG2 3.180 . 3.500 2.196 1.893 2.714 . 0 0 "[ . 1 . 2]" 1
845 1 39 VAL H 1 40 HIS H 2.960 . 3.260 2.673 2.335 2.909 . 0 0 "[ . 1 . 2]" 1
846 1 39 VAL H 1 41 PHE H 3.710 . 4.080 3.514 2.783 3.835 . 0 0 "[ . 1 . 2]" 1
847 1 39 VAL HA 1 39 VAL MG1 2.960 . 3.260 2.380 2.330 2.413 . 0 0 "[ . 1 . 2]" 1
848 1 39 VAL HA 1 39 VAL MG2 2.910 . 3.200 2.441 2.407 2.502 . 0 0 "[ . 1 . 2]" 1
849 1 39 VAL HB 1 40 HIS H 3.100 . 3.410 2.258 1.989 2.682 . 0 0 "[ . 1 . 2]" 1
850 1 39 VAL HB 1 41 PHE H 4.440 . 4.880 4.392 4.101 4.629 . 0 0 "[ . 1 . 2]" 1
851 1 39 VAL MG1 1 40 HIS H 3.390 . 3.730 3.198 2.846 3.623 . 0 0 "[ . 1 . 2]" 1
852 1 39 VAL MG1 1 40 HIS HA 4.240 . 4.660 3.499 3.290 3.890 . 0 0 "[ . 1 . 2]" 1
853 1 39 VAL MG1 1 41 PHE H 6.000 . 6.600 4.911 4.579 5.149 . 0 0 "[ . 1 . 2]" 1
854 1 39 VAL MG1 1 62 GLU HB2 6.000 . 6.600 4.626 3.972 5.448 . 0 0 "[ . 1 . 2]" 1
855 1 39 VAL MG1 1 62 GLU QG 4.430 . 4.870 3.111 2.173 3.999 . 0 0 "[ . 1 . 2]" 1
856 1 39 VAL MG2 1 40 HIS H 3.730 . 4.100 3.674 3.548 3.818 . 0 0 "[ . 1 . 2]" 1
857 1 39 VAL MG2 1 40 HIS HA 5.550 . 6.110 5.442 5.387 5.547 . 0 0 "[ . 1 . 2]" 1
858 1 39 VAL MG2 1 41 PHE H 5.420 . 5.960 5.063 4.859 5.280 . 0 0 "[ . 1 . 2]" 1
859 1 40 HIS H 1 40 HIS HB2 3.920 . 4.310 2.439 2.300 2.602 . 0 0 "[ . 1 . 2]" 1
860 1 40 HIS H 1 41 PHE H 3.190 . 3.510 2.274 1.982 2.526 . 0 0 "[ . 1 . 2]" 1
861 1 40 HIS H 1 62 GLU QG 5.810 . 6.390 4.793 4.226 6.119 . 0 0 "[ . 1 . 2]" 1
862 1 40 HIS HA 1 40 HIS HD2 4.910 . 5.400 3.911 2.216 4.830 . 0 0 "[ . 1 . 2]" 1
863 1 40 HIS HA 1 59 ASN H 4.450 . 4.890 3.781 3.127 4.247 . 0 0 "[ . 1 . 2]" 1
864 1 40 HIS HA 1 59 ASN QB 4.240 . 4.660 2.608 1.978 3.353 . 0 0 "[ . 1 . 2]" 1
865 1 40 HIS HA 1 62 GLU HB2 4.810 . 5.290 2.874 2.342 3.341 . 0 0 "[ . 1 . 2]" 1
866 1 40 HIS HA 1 62 GLU HG2 6.000 . 6.600 4.311 3.375 5.289 . 0 0 "[ . 1 . 2]" 1
867 1 40 HIS HA 1 62 GLU HG3 6.000 . 6.600 2.972 1.807 4.401 . 0 0 "[ . 1 . 2]" 1
868 1 40 HIS HB2 1 41 PHE H 3.720 . 4.090 3.259 2.867 3.573 . 0 0 "[ . 1 . 2]" 1
869 1 40 HIS HB2 1 41 PHE QD 5.760 . 6.340 2.861 2.539 3.372 . 0 0 "[ . 1 . 2]" 1
870 1 40 HIS HB3 1 41 PHE H 6.000 . 6.600 3.974 3.636 4.126 . 0 0 "[ . 1 . 2]" 1
871 1 40 HIS HB3 1 41 PHE QD 6.000 . 6.600 3.469 3.016 3.982 . 0 0 "[ . 1 . 2]" 1
872 1 40 HIS HB3 1 62 GLU QG 5.810 . 6.390 4.979 3.912 5.997 . 0 0 "[ . 1 . 2]" 1
873 1 40 HIS HB3 1 63 ILE MD 4.820 . 5.300 3.990 2.713 4.529 . 0 0 "[ . 1 . 2]" 1
874 1 40 HIS HB3 1 63 ILE QG 4.710 . 5.180 3.394 2.802 4.052 . 0 0 "[ . 1 . 2]" 1
875 1 40 HIS HD2 1 62 GLU HB3 5.200 . 5.720 3.463 1.759 4.908 0.041 11 0 "[ . 1 . 2]" 1
876 1 40 HIS HD2 1 62 GLU QG 5.810 . 6.390 5.069 2.678 6.421 0.031 15 0 "[ . 1 . 2]" 1
877 1 40 HIS HD2 1 63 ILE HA 4.480 . 4.930 4.133 2.806 4.971 0.041 7 0 "[ . 1 . 2]" 1
878 1 40 HIS HD2 1 63 ILE MD 6.000 . 6.600 5.095 2.336 6.016 . 0 0 "[ . 1 . 2]" 1
879 1 40 HIS HD2 1 63 ILE QG 4.840 . 5.320 3.841 2.553 4.780 . 0 0 "[ . 1 . 2]" 1
880 1 40 HIS HD2 1 66 PHE QB 5.810 . 6.390 4.105 3.367 4.960 . 0 0 "[ . 1 . 2]" 1
881 1 41 PHE H 1 41 PHE QD 4.150 . 4.570 3.038 2.555 3.465 . 0 0 "[ . 1 . 2]" 1
882 1 41 PHE HA 1 42 LYS H 3.170 . 3.490 2.414 2.191 2.591 . 0 0 "[ . 1 . 2]" 1
883 1 41 PHE HA 1 42 LYS QG 4.960 . 5.460 3.986 3.485 5.592 0.132 16 0 "[ . 1 . 2]" 1
884 1 41 PHE HA 1 56 THR MG 5.250 . 5.780 4.347 3.873 4.893 . 0 0 "[ . 1 . 2]" 1
885 1 41 PHE HA 1 58 TYR HA 4.030 . 4.430 2.519 2.121 3.016 . 0 0 "[ . 1 . 2]" 1
886 1 41 PHE HA 1 58 TYR QD 6.000 . 6.600 4.051 2.881 4.797 . 0 0 "[ . 1 . 2]" 1
887 1 41 PHE HA 1 58 TYR QE 6.000 . 6.600 5.638 4.733 6.257 . 0 0 "[ . 1 . 2]" 1
888 1 41 PHE HA 1 59 ASN H 4.880 . 5.370 2.966 2.364 3.420 . 0 0 "[ . 1 . 2]" 1
889 1 41 PHE QB 1 42 LYS H 3.410 . 3.750 2.537 2.265 3.188 . 0 0 "[ . 1 . 2]" 1
890 1 41 PHE QB 1 56 THR MG 3.290 . 3.620 2.471 2.068 2.970 . 0 0 "[ . 1 . 2]" 1
891 1 41 PHE QB 1 58 TYR HA 5.810 . 6.390 2.439 2.017 2.870 . 0 0 "[ . 1 . 2]" 1
892 1 41 PHE QB 1 58 TYR QD 3.990 . 4.390 2.133 1.764 2.921 0.036 2 0 "[ . 1 . 2]" 1
893 1 41 PHE QB 1 58 TYR QE 5.000 . 5.500 3.260 2.551 3.753 . 0 0 "[ . 1 . 2]" 1
894 1 41 PHE QB 1 59 ASN H 5.810 . 6.390 3.516 2.958 4.013 . 0 0 "[ . 1 . 2]" 1
895 1 41 PHE HB2 1 56 THR MG 3.780 . 4.160 2.514 2.095 3.034 . 0 0 "[ . 1 . 2]" 1
896 1 41 PHE HB2 1 58 TYR QE 5.700 . 6.270 3.810 2.765 4.382 . 0 0 "[ . 1 . 2]" 1
897 1 41 PHE HB3 1 56 THR MG 3.780 . 4.160 3.653 3.189 4.224 0.064 9 0 "[ . 1 . 2]" 1
898 1 41 PHE HB3 1 58 TYR QE 5.700 . 6.270 3.567 2.992 4.102 . 0 0 "[ . 1 . 2]" 1
899 1 41 PHE QD 1 56 THR MG 3.460 . 3.810 1.995 1.790 2.192 0.010 16 0 "[ . 1 . 2]" 1
900 1 42 LYS H 1 42 LYS QD 4.360 . 4.800 4.278 3.326 4.795 . 0 0 "[ . 1 . 2]" 1
901 1 42 LYS H 1 42 LYS HG2 4.410 . 4.850 3.024 2.331 4.922 0.072 16 0 "[ . 1 . 2]" 1
902 1 42 LYS H 1 42 LYS QG 3.780 . 4.160 2.614 2.271 3.919 . 0 0 "[ . 1 . 2]" 1
903 1 42 LYS H 1 42 LYS HG3 4.410 . 4.850 3.268 2.449 4.116 . 0 0 "[ . 1 . 2]" 1
904 1 42 LYS H 1 43 ARG H 6.000 . 6.600 4.401 4.211 4.516 . 0 0 "[ . 1 . 2]" 1
905 1 42 LYS H 1 56 THR MG 4.660 . 5.130 3.396 2.788 4.803 . 0 0 "[ . 1 . 2]" 1
906 1 42 LYS H 1 57 TRP H 3.810 . 4.190 3.404 2.989 3.845 . 0 0 "[ . 1 . 2]" 1
907 1 42 LYS HA 1 43 ARG H 2.950 . 3.250 2.321 2.134 2.566 . 0 0 "[ . 1 . 2]" 1
908 1 42 LYS QB 1 43 ARG H 3.140 . 3.450 2.663 2.119 3.565 0.115 16 0 "[ . 1 . 2]" 1
909 1 42 LYS QB 1 57 TRP H 5.810 . 6.390 5.128 3.979 5.765 . 0 0 "[ . 1 . 2]" 1
910 1 42 LYS QD 1 43 ARG H 5.390 . 5.930 4.388 1.819 5.566 . 0 0 "[ . 1 . 2]" 1
911 1 42 LYS QE 1 42 LYS QG 3.220 . 3.540 2.405 2.142 2.862 . 0 0 "[ . 1 . 2]" 1
912 1 42 LYS QG 1 43 ARG H 4.720 . 5.190 3.674 2.850 4.395 . 0 0 "[ . 1 . 2]" 1
913 1 42 LYS HG2 1 43 ARG H 5.430 . 5.970 4.717 4.063 5.238 . 0 0 "[ . 1 . 2]" 1
914 1 42 LYS HG3 1 43 ARG H 5.430 . 5.970 3.881 2.911 5.022 . 0 0 "[ . 1 . 2]" 1
915 1 43 ARG H 1 43 ARG HB2 3.720 . 4.090 2.914 2.336 3.699 . 0 0 "[ . 1 . 2]" 1
916 1 43 ARG H 1 43 ARG QB 3.210 . 3.530 2.512 2.265 2.872 . 0 0 "[ . 1 . 2]" 1
917 1 43 ARG H 1 43 ARG HB3 3.720 . 4.090 3.213 2.449 3.707 . 0 0 "[ . 1 . 2]" 1
918 1 43 ARG H 1 43 ARG HD2 5.540 . 6.090 4.530 2.470 5.823 . 0 0 "[ . 1 . 2]" 1
919 1 43 ARG H 1 43 ARG QD 4.820 . 5.300 3.862 1.745 4.496 0.055 18 0 "[ . 1 . 2]" 1
920 1 43 ARG H 1 43 ARG HD3 5.540 . 6.090 4.290 1.784 4.847 0.016 18 0 "[ . 1 . 2]" 1
921 1 43 ARG H 1 43 ARG HG2 5.090 . 5.600 3.121 1.819 4.640 . 0 0 "[ . 1 . 2]" 1
922 1 43 ARG H 1 43 ARG QG 4.330 . 4.760 2.462 1.792 4.064 0.008 10 0 "[ . 1 . 2]" 1
923 1 43 ARG H 1 43 ARG HG3 5.090 . 5.600 3.038 2.176 4.672 . 0 0 "[ . 1 . 2]" 1
924 1 43 ARG H 1 44 VAL H 4.980 . 5.480 4.458 4.274 4.616 . 0 0 "[ . 1 . 2]" 1
925 1 43 ARG H 1 44 VAL MG2 5.310 . 5.840 4.508 4.122 4.957 . 0 0 "[ . 1 . 2]" 1
926 1 43 ARG HA 1 44 VAL H 2.990 . 3.290 2.180 2.110 2.251 . 0 0 "[ . 1 . 2]" 1
927 1 43 ARG HA 1 44 VAL HB 6.000 . 6.600 4.621 4.489 4.711 . 0 0 "[ . 1 . 2]" 1
928 1 43 ARG HA 1 44 VAL MG2 3.440 . 3.780 3.673 3.418 3.820 0.040 12 0 "[ . 1 . 2]" 1
929 1 43 ARG HA 1 56 THR HA 4.490 . 4.940 2.651 1.951 3.400 . 0 0 "[ . 1 . 2]" 1
930 1 43 ARG HA 1 56 THR MG 5.460 . 6.010 3.646 2.599 4.270 . 0 0 "[ . 1 . 2]" 1
931 1 43 ARG HA 1 57 TRP H 4.770 . 5.250 3.879 2.994 4.555 . 0 0 "[ . 1 . 2]" 1
932 1 43 ARG QB 1 43 ARG QD 3.170 . 3.490 2.364 2.115 2.868 . 0 0 "[ . 1 . 2]" 1
933 1 43 ARG QB 1 44 VAL H 4.090 . 4.500 3.336 2.917 3.887 . 0 0 "[ . 1 . 2]" 1
934 1 43 ARG QB 1 44 VAL MG1 5.780 . 6.360 5.690 5.532 6.055 . 0 0 "[ . 1 . 2]" 1
935 1 43 ARG HG2 1 44 VAL H 6.000 . 6.600 4.731 3.492 5.311 . 0 0 "[ . 1 . 2]" 1
936 1 43 ARG HG3 1 44 VAL H 6.000 . 6.600 4.739 3.177 5.687 . 0 0 "[ . 1 . 2]" 1
937 1 44 VAL H 1 44 VAL HB 3.490 . 3.840 2.576 2.431 2.757 . 0 0 "[ . 1 . 2]" 1
938 1 44 VAL H 1 44 VAL MG2 3.390 . 3.730 2.609 2.369 2.960 . 0 0 "[ . 1 . 2]" 1
939 1 44 VAL H 1 55 THR H 5.070 . 5.580 3.742 2.690 4.248 . 0 0 "[ . 1 . 2]" 1
940 1 44 VAL H 1 56 THR HA 6.000 . 6.600 3.114 2.277 3.768 . 0 0 "[ . 1 . 2]" 1
941 1 44 VAL H 1 56 THR MG 6.000 . 6.600 4.841 4.359 5.427 . 0 0 "[ . 1 . 2]" 1
942 1 44 VAL H 1 57 TRP HD1 5.390 . 5.930 3.600 2.709 4.477 . 0 0 "[ . 1 . 2]" 1
943 1 44 VAL HA 1 44 VAL MG1 3.290 . 3.620 2.435 2.383 2.496 . 0 0 "[ . 1 . 2]" 1
944 1 44 VAL HA 1 44 VAL MG2 3.280 . 3.610 2.383 2.326 2.448 . 0 0 "[ . 1 . 2]" 1
945 1 44 VAL HA 1 45 SER H 3.300 . 3.630 2.207 2.135 2.366 . 0 0 "[ . 1 . 2]" 1
946 1 44 VAL HB 1 45 SER H 5.070 . 5.580 4.160 3.620 4.474 . 0 0 "[ . 1 . 2]" 1
947 1 44 VAL HB 1 55 THR MG 5.450 . 6.000 3.780 2.931 4.625 . 0 0 "[ . 1 . 2]" 1
948 1 44 VAL HB 1 56 THR MG 6.000 . 6.600 6.139 5.592 6.380 . 0 0 "[ . 1 . 2]" 1
949 1 44 VAL HB 1 57 TRP HD1 4.570 . 5.030 2.546 1.904 3.723 . 0 0 "[ . 1 . 2]" 1
950 1 44 VAL HB 1 57 TRP HE1 4.380 . 4.820 3.048 2.333 3.947 . 0 0 "[ . 1 . 2]" 1
951 1 44 VAL MG1 1 45 SER H 4.730 . 5.200 2.662 1.939 3.330 . 0 0 "[ . 1 . 2]" 1
952 1 44 VAL MG1 1 55 THR HB 4.900 . 5.390 3.682 2.709 4.628 . 0 0 "[ . 1 . 2]" 1
953 1 44 VAL MG1 1 56 THR HA 5.260 . 5.790 5.772 5.245 5.924 0.134 16 0 "[ . 1 . 2]" 1
954 1 44 VAL MG1 1 57 TRP HD1 4.930 . 5.420 3.712 2.930 4.417 . 0 0 "[ . 1 . 2]" 1
955 1 44 VAL MG1 1 57 TRP HE1 6.000 . 6.600 3.208 2.642 3.903 . 0 0 "[ . 1 . 2]" 1
956 1 44 VAL MG1 1 57 TRP HH2 6.000 . 6.600 6.217 5.294 6.650 0.050 10 0 "[ . 1 . 2]" 1
957 1 44 VAL MG2 1 45 SER H 5.710 . 6.280 4.009 3.745 4.261 . 0 0 "[ . 1 . 2]" 1
958 1 44 VAL MG2 1 55 THR HB 5.490 . 6.040 4.341 3.634 5.236 . 0 0 "[ . 1 . 2]" 1
959 1 44 VAL MG2 1 56 THR HA 3.980 . 4.380 3.843 3.337 4.324 . 0 0 "[ . 1 . 2]" 1
960 1 44 VAL MG2 1 57 TRP QB 5.810 . 6.390 2.790 2.308 3.527 . 0 0 "[ . 1 . 2]" 1
961 1 44 VAL MG2 1 57 TRP HD1 3.500 . 3.850 2.371 1.826 2.838 . 0 0 "[ . 1 . 2]" 1
962 1 44 VAL MG2 1 57 TRP HE1 4.010 . 4.410 3.488 2.878 4.188 . 0 0 "[ . 1 . 2]" 1
963 1 44 VAL MG2 1 57 TRP HZ2 6.000 . 6.600 5.250 4.658 5.817 . 0 0 "[ . 1 . 2]" 1
964 1 45 SER HA 1 46 PRO HD2 3.830 . 4.210 2.480 1.947 2.898 . 0 0 "[ . 1 . 2]" 1
965 1 45 SER HA 1 46 PRO QD 3.300 . 3.630 1.959 1.814 2.111 . 0 0 "[ . 1 . 2]" 1
966 1 45 SER HA 1 46 PRO HD3 3.830 . 4.210 2.170 1.836 2.589 . 0 0 "[ . 1 . 2]" 1
967 1 45 SER QB 1 46 PRO QD 3.530 . 3.880 2.803 2.025 3.682 . 0 0 "[ . 1 . 2]" 1
968 1 47 SER QB 1 48 GLY H 4.170 . 4.590 3.233 1.921 4.037 . 0 0 "[ . 1 . 2]" 1
969 1 48 GLY H 1 49 GLU H 4.260 . 4.690 3.296 1.857 4.579 . 0 0 "[ . 1 . 2]" 1
970 1 48 GLY QA 1 49 GLU HA 4.320 . 4.750 4.007 3.879 4.124 . 0 0 "[ . 1 . 2]" 1
971 1 48 GLY HA2 1 49 GLU HA 5.040 . 5.540 4.564 4.306 4.733 . 0 0 "[ . 1 . 2]" 1
972 1 48 GLY HA3 1 49 GLU HA 5.040 . 5.540 4.459 4.229 4.757 . 0 0 "[ . 1 . 2]" 1
973 1 49 GLU H 1 49 GLU HB2 3.720 . 4.090 2.825 2.241 3.887 . 0 0 "[ . 1 . 2]" 1
974 1 49 GLU H 1 49 GLU QB 2.910 . 3.200 2.502 2.218 3.126 . 0 0 "[ . 1 . 2]" 1
975 1 49 GLU H 1 49 GLU HB3 3.720 . 4.090 3.368 2.537 3.801 . 0 0 "[ . 1 . 2]" 1
976 1 49 GLU H 1 49 GLU QG 3.360 . 3.700 2.449 1.782 3.117 0.018 17 0 "[ . 1 . 2]" 1
977 1 49 GLU H 1 50 LYS H 5.310 . 5.840 3.852 2.558 4.638 . 0 0 "[ . 1 . 2]" 1
978 1 49 GLU HA 1 49 GLU QG 3.570 . 3.930 2.825 2.373 3.518 . 0 0 "[ . 1 . 2]" 1
979 1 49 GLU HA 1 50 LYS H 3.200 . 3.520 2.626 2.147 3.502 . 0 0 "[ . 1 . 2]" 1
980 1 49 GLU QB 1 50 LYS H 4.370 . 4.810 3.196 2.000 3.956 . 0 0 "[ . 1 . 2]" 1
981 1 49 GLU HG2 1 50 LYS H 6.000 . 6.600 4.409 2.915 5.861 . 0 0 "[ . 1 . 2]" 1
982 1 49 GLU HG3 1 50 LYS H 6.000 . 6.600 4.530 2.463 5.997 . 0 0 "[ . 1 . 2]" 1
983 1 50 LYS H 1 50 LYS QB 3.480 . 3.830 2.601 2.245 3.407 . 0 0 "[ . 1 . 2]" 1
984 1 50 LYS H 1 50 LYS HD2 6.000 . 6.600 4.609 3.582 5.827 . 0 0 "[ . 1 . 2]" 1
985 1 50 LYS H 1 50 LYS HD3 6.000 . 6.600 4.405 2.026 5.961 . 0 0 "[ . 1 . 2]" 1
986 1 50 LYS H 1 51 THR H 5.740 . 6.310 3.710 2.290 4.603 . 0 0 "[ . 1 . 2]" 1
987 1 50 LYS HA 1 50 LYS HD2 5.420 . 5.960 4.255 2.050 5.547 . 0 0 "[ . 1 . 2]" 1
988 1 50 LYS HA 1 50 LYS QD 4.710 . 5.180 3.655 2.040 4.565 . 0 0 "[ . 1 . 2]" 1
989 1 50 LYS HA 1 50 LYS HD3 5.420 . 5.960 4.270 2.129 5.544 . 0 0 "[ . 1 . 2]" 1
990 1 50 LYS HA 1 50 LYS HE2 5.490 . 6.040 4.503 1.756 5.873 0.044 20 0 "[ . 1 . 2]" 1
991 1 50 LYS HA 1 50 LYS QE 4.810 . 5.290 3.882 1.736 4.445 0.064 20 0 "[ . 1 . 2]" 1
992 1 50 LYS HA 1 50 LYS HE3 5.490 . 6.040 4.445 2.739 5.194 . 0 0 "[ . 1 . 2]" 1
993 1 50 LYS HA 1 50 LYS HG2 4.090 . 4.500 3.086 2.506 3.817 . 0 0 "[ . 1 . 2]" 1
994 1 50 LYS HA 1 50 LYS QG 3.430 . 3.770 2.673 2.393 3.365 . 0 0 "[ . 1 . 2]" 1
995 1 50 LYS HA 1 50 LYS HG3 4.090 . 4.500 3.149 2.457 3.897 . 0 0 "[ . 1 . 2]" 1
996 1 50 LYS HA 1 51 THR H 2.970 . 3.270 2.593 2.116 3.486 0.216 4 0 "[ . 1 . 2]" 1
997 1 50 LYS QB 1 50 LYS QD 2.460 . 2.710 2.464 2.250 2.788 0.078 11 0 "[ . 1 . 2]" 1
998 1 50 LYS QB 1 50 LYS QE 2.860 . 3.150 2.015 1.865 2.766 . 0 0 "[ . 1 . 2]" 1
999 1 50 LYS QB 1 51 THR H 4.310 . 4.740 3.548 2.004 4.071 . 0 0 "[ . 1 . 2]" 1
1000 1 50 LYS QD 1 50 LYS QE 2.340 . 2.570 2.083 2.008 2.098 . 0 0 "[ . 1 . 2]" 1
1001 1 50 LYS QD 1 50 LYS QG 2.200 . 2.420 2.011 1.999 2.024 . 0 0 "[ . 1 . 2]" 1
1002 1 50 LYS QE 1 50 LYS QG 2.900 . 3.190 2.418 2.307 2.822 . 0 0 "[ . 1 . 2]" 1
1003 1 51 THR H 1 51 THR HB 3.430 . 3.770 3.119 2.582 3.867 0.097 1 0 "[ . 1 . 2]" 1
1004 1 51 THR H 1 51 THR MG 3.960 . 4.360 3.349 2.035 4.014 . 0 0 "[ . 1 . 2]" 1
1005 1 51 THR H 1 52 LEU H 4.680 . 5.150 4.556 4.400 4.668 . 0 0 "[ . 1 . 2]" 1
1006 1 51 THR HA 1 51 THR HB 3.000 . 3.300 2.795 2.403 3.038 . 0 0 "[ . 1 . 2]" 1
1007 1 51 THR HA 1 51 THR MG 3.160 . 3.480 2.376 2.308 2.466 . 0 0 "[ . 1 . 2]" 1
1008 1 51 THR HA 1 52 LEU H 3.420 . 3.760 2.374 2.241 2.705 . 0 0 "[ . 1 . 2]" 1
1009 1 51 THR HA 1 52 LEU MD1 4.270 . 4.700 4.259 4.043 4.464 . 0 0 "[ . 1 . 2]" 1
1010 1 51 THR HA 1 52 LEU MD2 2.930 . 3.220 2.750 2.590 3.076 . 0 0 "[ . 1 . 2]" 1
1011 1 51 THR HB 1 52 LEU H 4.570 . 5.030 3.182 1.966 3.770 . 0 0 "[ . 1 . 2]" 1
1012 1 51 THR HB 1 52 LEU HB2 5.110 . 5.620 5.212 4.026 5.728 0.108 6 0 "[ . 1 . 2]" 1
1013 1 51 THR HB 1 52 LEU MD1 5.310 . 5.840 5.605 4.768 5.888 0.048 11 0 "[ . 1 . 2]" 1
1014 1 51 THR HB 1 52 LEU MD2 4.300 . 4.730 4.387 2.851 4.803 0.073 15 0 "[ . 1 . 2]" 1
1015 1 51 THR MG 1 52 LEU H 4.810 . 5.290 2.708 1.844 3.925 . 0 0 "[ . 1 . 2]" 1
1016 1 51 THR MG 1 53 ARG H 4.410 . 4.850 2.927 1.790 4.191 0.010 19 0 "[ . 1 . 2]" 1
1017 1 51 THR MG 1 53 ARG QB 4.090 . 4.500 3.550 2.696 4.507 0.007 18 0 "[ . 1 . 2]" 1
1018 1 51 THR MG 1 53 ARG QG 4.140 . 4.550 3.559 2.144 4.634 0.084 20 0 "[ . 1 . 2]" 1
1019 1 52 LEU H 1 52 LEU HB2 3.480 . 3.830 2.457 2.392 2.524 . 0 0 "[ . 1 . 2]" 1
1020 1 52 LEU H 1 52 LEU HB3 4.010 . 4.410 3.617 3.578 3.662 . 0 0 "[ . 1 . 2]" 1
1021 1 52 LEU H 1 52 LEU HG 4.820 . 5.300 3.936 3.800 4.177 . 0 0 "[ . 1 . 2]" 1
1022 1 52 LEU H 1 53 ARG H 2.990 . 3.290 2.682 2.323 3.175 . 0 0 "[ . 1 . 2]" 1
1023 1 52 LEU H 1 53 ARG QG 4.270 . 4.700 3.951 3.187 4.703 0.003 6 0 "[ . 1 . 2]" 1
1024 1 52 LEU HA 1 52 LEU MD1 3.420 . 3.760 1.991 1.928 2.029 . 0 0 "[ . 1 . 2]" 1
1025 1 52 LEU HA 1 52 LEU MD2 3.260 . 3.590 3.038 2.937 3.153 . 0 0 "[ . 1 . 2]" 1
1026 1 52 LEU HA 1 52 LEU HG 3.900 . 4.290 3.735 3.711 3.757 . 0 0 "[ . 1 . 2]" 1
1027 1 52 LEU HA 1 53 ARG H 3.540 . 3.890 3.356 3.039 3.594 . 0 0 "[ . 1 . 2]" 1
1028 1 52 LEU HB2 1 52 LEU MD1 3.350 . 3.690 3.214 3.210 3.219 . 0 0 "[ . 1 . 2]" 1
1029 1 52 LEU HB2 1 52 LEU MD2 2.820 . 3.100 2.319 2.293 2.344 . 0 0 "[ . 1 . 2]" 1
1030 1 52 LEU HB2 1 53 ARG H 3.660 . 4.030 3.182 1.966 4.020 . 0 0 "[ . 1 . 2]" 1
1031 1 52 LEU HB2 1 54 GLY H 6.000 . 6.600 5.439 3.462 6.553 . 0 0 "[ . 1 . 2]" 1
1032 1 52 LEU HB3 1 52 LEU MD1 3.130 . 3.440 2.466 2.436 2.500 . 0 0 "[ . 1 . 2]" 1
1033 1 52 LEU HB3 1 52 LEU MD2 3.350 . 3.690 3.208 3.199 3.216 . 0 0 "[ . 1 . 2]" 1
1034 1 52 LEU HB3 1 52 LEU HG 2.400 . 2.640 2.376 2.353 2.391 . 0 0 "[ . 1 . 2]" 1
1035 1 52 LEU HB3 1 53 ARG H 4.330 . 4.760 3.935 2.708 4.416 . 0 0 "[ . 1 . 2]" 1
1036 1 52 LEU HB3 1 54 GLY H 6.000 . 6.600 5.258 2.485 6.366 . 0 0 "[ . 1 . 2]" 1
1037 1 52 LEU HG 1 53 ARG H 5.900 . 6.490 5.431 4.393 5.996 . 0 0 "[ . 1 . 2]" 1
1038 1 53 ARG H 1 53 ARG HB2 3.990 . 4.390 2.598 2.386 3.533 . 0 0 "[ . 1 . 2]" 1
1039 1 53 ARG H 1 53 ARG QB 3.430 . 3.770 2.545 2.354 3.335 . 0 0 "[ . 1 . 2]" 1
1040 1 53 ARG H 1 53 ARG HB3 3.990 . 4.390 3.688 3.595 4.095 . 0 0 "[ . 1 . 2]" 1
1041 1 53 ARG H 1 53 ARG QD 4.940 . 5.430 3.626 3.102 4.154 . 0 0 "[ . 1 . 2]" 1
1042 1 53 ARG H 1 53 ARG QG 2.970 . 3.270 2.500 1.935 3.158 . 0 0 "[ . 1 . 2]" 1
1043 1 53 ARG H 1 54 GLY H 3.580 . 3.940 3.286 2.435 4.074 0.134 19 0 "[ . 1 . 2]" 1
1044 1 53 ARG HA 1 53 ARG HD2 4.990 . 5.490 3.143 2.104 4.798 . 0 0 "[ . 1 . 2]" 1
1045 1 53 ARG HA 1 53 ARG QD 4.160 . 4.580 2.392 1.873 4.221 . 0 0 "[ . 1 . 2]" 1
1046 1 53 ARG HA 1 53 ARG HD3 4.990 . 5.490 2.719 1.891 4.683 . 0 0 "[ . 1 . 2]" 1
1047 1 53 ARG HA 1 53 ARG HG2 3.850 . 4.230 3.035 2.503 3.300 . 0 0 "[ . 1 . 2]" 1
1048 1 53 ARG HA 1 53 ARG QG 3.130 . 3.440 2.898 2.398 3.122 . 0 0 "[ . 1 . 2]" 1
1049 1 53 ARG HA 1 53 ARG HG3 3.850 . 4.230 3.676 2.913 3.851 . 0 0 "[ . 1 . 2]" 1
1050 1 53 ARG QB 1 53 ARG QD 2.800 . 3.080 2.408 2.139 2.862 . 0 0 "[ . 1 . 2]" 1
1051 1 53 ARG QB 1 53 ARG QG 2.310 . 2.540 2.015 1.993 2.091 . 0 0 "[ . 1 . 2]" 1
1052 1 53 ARG QB 1 54 GLY H 4.200 . 4.620 3.462 2.046 3.883 . 0 0 "[ . 1 . 2]" 1
1053 1 53 ARG HD2 1 54 GLY H 6.000 . 6.600 5.431 4.192 6.485 . 0 0 "[ . 1 . 2]" 1
1054 1 53 ARG HD3 1 54 GLY H 6.000 . 6.600 5.052 3.932 6.678 0.078 9 0 "[ . 1 . 2]" 1
1055 1 53 ARG QG 1 54 GLY H 4.900 . 5.390 4.578 3.822 4.955 . 0 0 "[ . 1 . 2]" 1
1056 1 54 GLY QA 1 55 THR H 3.130 . 3.440 2.203 2.108 2.356 . 0 0 "[ . 1 . 2]" 1
1057 1 55 THR H 1 55 THR HB 3.890 . 4.280 2.637 2.475 2.944 . 0 0 "[ . 1 . 2]" 1
1058 1 55 THR H 1 56 THR H 6.000 . 6.600 4.461 4.156 4.660 . 0 0 "[ . 1 . 2]" 1
1059 1 55 THR HA 1 55 THR MG 3.200 . 3.520 2.389 2.340 2.453 . 0 0 "[ . 1 . 2]" 1
1060 1 55 THR HA 1 56 THR H 2.890 . 3.180 2.191 2.143 2.278 . 0 0 "[ . 1 . 2]" 1
1061 1 55 THR HB 1 56 THR H 4.710 . 5.180 4.196 3.912 4.329 . 0 0 "[ . 1 . 2]" 1
1062 1 55 THR HB 1 57 TRP HD1 4.870 . 5.360 3.589 3.209 4.057 . 0 0 "[ . 1 . 2]" 1
1063 1 55 THR HB 1 57 TRP HE1 4.250 . 4.680 2.819 2.148 3.569 . 0 0 "[ . 1 . 2]" 1
1064 1 55 THR MG 1 56 THR H 3.160 . 3.480 2.742 2.275 2.978 . 0 0 "[ . 1 . 2]" 1
1065 1 55 THR MG 1 57 TRP HA 4.530 . 4.980 4.203 3.659 4.639 . 0 0 "[ . 1 . 2]" 1
1066 1 55 THR MG 1 57 TRP HD1 4.310 . 4.740 2.842 2.118 3.424 . 0 0 "[ . 1 . 2]" 1
1067 1 55 THR MG 1 57 TRP HE1 3.660 . 4.030 2.438 1.879 3.035 . 0 0 "[ . 1 . 2]" 1
1068 1 55 THR MG 1 57 TRP HZ2 5.090 . 5.600 3.737 2.839 4.642 . 0 0 "[ . 1 . 2]" 1
1069 1 56 THR H 1 56 THR HB 3.450 . 3.790 2.553 2.451 2.702 . 0 0 "[ . 1 . 2]" 1
1070 1 56 THR H 1 58 TYR QE 5.550 . 6.110 5.620 5.014 6.141 0.031 18 0 "[ . 1 . 2]" 1
1071 1 56 THR HA 1 56 THR MG 3.320 . 3.650 2.450 2.362 3.219 . 0 0 "[ . 1 . 2]" 1
1072 1 56 THR HA 1 57 TRP H 3.200 . 3.520 2.160 2.126 2.212 . 0 0 "[ . 1 . 2]" 1
1073 1 56 THR HB 1 57 TRP H 6.000 . 6.600 4.332 4.139 4.444 . 0 0 "[ . 1 . 2]" 1
1074 1 56 THR HB 1 58 TYR QE 5.190 . 5.710 3.955 3.137 5.594 . 0 0 "[ . 1 . 2]" 1
1075 1 56 THR MG 1 57 TRP H 3.290 . 3.620 3.043 2.725 3.671 0.051 9 0 "[ . 1 . 2]" 1
1076 1 56 THR MG 1 57 TRP HA 4.190 . 4.610 3.843 3.580 4.072 . 0 0 "[ . 1 . 2]" 1
1077 1 56 THR MG 1 57 TRP QB 4.650 . 5.120 4.504 4.267 4.998 . 0 0 "[ . 1 . 2]" 1
1078 1 56 THR MG 1 58 TYR QD 4.340 . 4.770 3.447 2.547 3.944 . 0 0 "[ . 1 . 2]" 1
1079 1 56 THR MG 1 58 TYR QE 4.000 . 4.400 2.808 1.996 3.493 . 0 0 "[ . 1 . 2]" 1
1080 1 57 TRP H 1 57 TRP QB 3.660 . 4.030 2.440 2.348 2.502 . 0 0 "[ . 1 . 2]" 1
1081 1 57 TRP H 1 57 TRP HD1 4.630 . 5.090 2.546 2.279 2.883 . 0 0 "[ . 1 . 2]" 1
1082 1 57 TRP HA 1 57 TRP HD1 3.630 . 3.990 3.665 2.977 4.066 0.076 14 0 "[ . 1 . 2]" 1
1083 1 57 TRP HA 1 57 TRP HE3 4.380 . 4.820 3.886 3.415 4.623 . 0 0 "[ . 1 . 2]" 1
1084 1 57 TRP HA 1 58 TYR H 2.870 . 3.160 2.228 2.155 2.376 . 0 0 "[ . 1 . 2]" 1
1085 1 57 TRP HB2 1 58 TYR H 6.000 . 6.600 4.102 3.869 4.300 . 0 0 "[ . 1 . 2]" 1
1086 1 57 TRP HB3 1 58 TYR H 6.000 . 6.600 3.050 2.640 3.409 . 0 0 "[ . 1 . 2]" 1
1087 1 57 TRP HE3 1 58 TYR H 6.000 . 6.600 4.285 3.834 4.979 . 0 0 "[ . 1 . 2]" 1
1088 1 58 TYR H 1 58 TYR QB 3.640 . 4.000 2.509 2.362 2.658 . 0 0 "[ . 1 . 2]" 1
1089 1 58 TYR H 1 58 TYR QD 4.430 . 4.870 2.773 2.168 3.506 . 0 0 "[ . 1 . 2]" 1
1090 1 58 TYR HA 1 58 TYR QD 4.350 . 4.790 2.714 2.085 3.139 . 0 0 "[ . 1 . 2]" 1
1091 1 58 TYR HA 1 59 ASN H 3.360 . 3.700 2.234 2.170 2.320 . 0 0 "[ . 1 . 2]" 1
1092 1 58 TYR HA 1 63 ILE MD 5.850 . 6.430 3.901 3.608 4.430 . 0 0 "[ . 1 . 2]" 1
1093 1 58 TYR QB 1 63 ILE MD 3.320 . 3.650 1.953 1.763 2.645 0.037 5 0 "[ . 1 . 2]" 1
1094 1 58 TYR HB2 1 63 ILE MD 3.870 . 4.260 2.999 2.633 3.979 . 0 0 "[ . 1 . 2]" 1
1095 1 58 TYR HB3 1 63 ILE MD 3.870 . 4.260 1.981 1.777 2.685 0.023 5 0 "[ . 1 . 2]" 1
1096 1 58 TYR QD 1 59 ASN H 4.500 . 4.950 3.997 3.659 4.197 . 0 0 "[ . 1 . 2]" 1
1097 1 58 TYR QD 1 63 ILE MD 3.610 . 3.970 3.051 1.939 3.737 . 0 0 "[ . 1 . 2]" 1
1098 1 58 TYR QE 1 63 ILE MD 5.730 . 6.300 4.596 3.825 5.255 . 0 0 "[ . 1 . 2]" 1
1099 1 59 ASN H 1 59 ASN HB2 3.880 . 4.270 2.483 2.268 2.690 . 0 0 "[ . 1 . 2]" 1
1100 1 59 ASN H 1 59 ASN HB3 3.880 . 4.270 3.309 2.538 3.665 . 0 0 "[ . 1 . 2]" 1
1101 1 59 ASN H 1 62 GLU HB2 6.000 . 6.600 4.255 3.754 5.006 . 0 0 "[ . 1 . 2]" 1
1102 1 59 ASN H 1 63 ILE MD 4.090 . 4.500 3.527 2.849 4.171 . 0 0 "[ . 1 . 2]" 1
1103 1 59 ASN HA 1 60 TYR H 3.200 . 3.520 2.203 2.130 2.284 . 0 0 "[ . 1 . 2]" 1
1104 1 59 ASN HA 1 62 GLU HB2 4.360 . 4.800 4.717 4.425 4.949 0.149 16 0 "[ . 1 . 2]" 1
1105 1 59 ASN QB 1 62 GLU QG 5.180 . 5.700 2.640 2.079 3.844 . 0 0 "[ . 1 . 2]" 1
1106 1 59 ASN HB2 1 62 GLU HB3 6.000 . 6.600 4.126 3.374 5.667 . 0 0 "[ . 1 . 2]" 1
1107 1 59 ASN HB3 1 62 GLU HB3 6.000 . 6.600 4.188 3.195 4.736 . 0 0 "[ . 1 . 2]" 1
1108 1 59 ASN QD 1 62 GLU QG 3.810 . 4.190 2.925 1.880 4.230 0.040 11 0 "[ . 1 . 2]" 1
1109 1 60 TYR H 1 60 TYR HB2 3.900 . 4.290 2.566 2.406 2.679 . 0 0 "[ . 1 . 2]" 1
1110 1 60 TYR H 1 60 TYR QD 5.420 . 5.960 4.220 4.171 4.240 . 0 0 "[ . 1 . 2]" 1
1111 1 60 TYR H 1 61 PRO QD 4.420 . 4.860 2.330 2.063 2.582 . 0 0 "[ . 1 . 2]" 1
1112 1 60 TYR HA 1 60 TYR QD 4.160 . 4.580 2.678 2.418 2.883 . 0 0 "[ . 1 . 2]" 1
1113 1 60 TYR HA 1 63 ILE HB 4.260 . 4.690 2.805 2.523 3.282 . 0 0 "[ . 1 . 2]" 1
1114 1 60 TYR HA 1 63 ILE MD 5.820 . 6.400 3.010 2.400 3.559 . 0 0 "[ . 1 . 2]" 1
1115 1 60 TYR HA 1 63 ILE MG 5.560 . 6.120 4.166 3.927 4.592 . 0 0 "[ . 1 . 2]" 1
1116 1 60 TYR HB2 1 61 PRO QD 3.970 . 4.370 3.414 3.204 3.549 . 0 0 "[ . 1 . 2]" 1
1117 1 60 TYR QD 1 61 PRO QD 5.490 . 6.040 2.726 2.374 3.101 . 0 0 "[ . 1 . 2]" 1
1118 1 60 TYR QE 1 67 ILE MD 6.000 . 6.600 4.676 3.861 6.379 . 0 0 "[ . 1 . 2]" 1
1119 1 61 PRO HA 1 62 GLU HA 6.000 . 6.600 4.762 4.689 4.846 . 0 0 "[ . 1 . 2]" 1
1120 1 61 PRO HA 1 62 GLU QG 5.810 . 6.390 5.405 5.182 5.917 . 0 0 "[ . 1 . 2]" 1
1121 1 61 PRO HA 1 64 ASN HA 6.000 . 6.600 5.620 5.305 6.041 . 0 0 "[ . 1 . 2]" 1
1122 1 61 PRO HA 1 64 ASN QB 3.930 . 4.320 2.755 2.445 3.158 . 0 0 "[ . 1 . 2]" 1
1123 1 61 PRO QB 1 62 GLU H 3.790 . 4.170 2.769 2.287 3.442 . 0 0 "[ . 1 . 2]" 1
1124 1 61 PRO QD 1 62 GLU H 3.900 . 4.290 2.989 2.727 3.322 . 0 0 "[ . 1 . 2]" 1
1125 1 61 PRO QG 1 62 GLU H 3.890 . 4.280 3.061 2.143 3.911 . 0 0 "[ . 1 . 2]" 1
1126 1 62 GLU H 1 62 GLU HB2 3.730 . 4.100 2.335 2.127 2.471 . 0 0 "[ . 1 . 2]" 1
1127 1 62 GLU H 1 62 GLU HG2 4.390 . 4.830 2.689 2.257 3.719 . 0 0 "[ . 1 . 2]" 1
1128 1 62 GLU H 1 62 GLU HG3 4.390 . 4.830 3.794 2.908 4.347 . 0 0 "[ . 1 . 2]" 1
1129 1 62 GLU H 1 63 ILE H 3.830 . 4.210 2.629 2.406 2.734 . 0 0 "[ . 1 . 2]" 1
1130 1 62 GLU H 1 64 ASN QB 5.810 . 6.390 4.845 4.476 5.203 . 0 0 "[ . 1 . 2]" 1
1131 1 62 GLU HA 1 62 GLU HG2 3.730 . 4.100 2.854 2.257 3.094 . 0 0 "[ . 1 . 2]" 1
1132 1 62 GLU HA 1 62 GLU QG 3.130 . 3.440 2.758 2.206 2.953 . 0 0 "[ . 1 . 2]" 1
1133 1 62 GLU HA 1 62 GLU HG3 3.730 . 4.100 3.669 3.110 3.776 . 0 0 "[ . 1 . 2]" 1
1134 1 62 GLU HA 1 65 LYS H 4.770 . 5.250 3.479 3.067 3.796 . 0 0 "[ . 1 . 2]" 1
1135 1 62 GLU HA 1 65 LYS HB2 4.650 . 5.120 3.221 2.662 3.765 . 0 0 "[ . 1 . 2]" 1
1136 1 62 GLU HA 1 65 LYS HB3 4.650 . 5.120 2.594 2.023 3.191 . 0 0 "[ . 1 . 2]" 1
1137 1 62 GLU HB2 1 63 ILE H 5.290 . 5.820 2.796 2.427 3.372 . 0 0 "[ . 1 . 2]" 1
1138 1 62 GLU HB3 1 63 ILE H 4.940 . 5.430 3.531 3.251 3.802 . 0 0 "[ . 1 . 2]" 1
1139 1 62 GLU QG 1 63 ILE H 4.590 . 5.050 4.285 3.983 4.723 . 0 0 "[ . 1 . 2]" 1
1140 1 63 ILE H 1 63 ILE HB 3.410 . 3.750 2.484 2.396 2.545 . 0 0 "[ . 1 . 2]" 1
1141 1 63 ILE H 1 63 ILE MD 4.550 . 5.010 3.568 2.114 3.782 . 0 0 "[ . 1 . 2]" 1
1142 1 63 ILE H 1 63 ILE QG 3.880 . 4.270 2.269 2.059 3.471 . 0 0 "[ . 1 . 2]" 1
1143 1 63 ILE H 1 64 ASN H 3.810 . 4.190 2.639 2.444 2.748 . 0 0 "[ . 1 . 2]" 1
1144 1 63 ILE HA 1 63 ILE MD 4.140 . 4.550 3.755 2.705 3.855 . 0 0 "[ . 1 . 2]" 1
1145 1 63 ILE HA 1 63 ILE HG12 4.210 . 4.630 2.541 2.396 3.649 . 0 0 "[ . 1 . 2]" 1
1146 1 63 ILE HA 1 63 ILE HG13 4.210 . 4.630 2.967 2.407 3.033 . 0 0 "[ . 1 . 2]" 1
1147 1 63 ILE HA 1 66 PHE H 4.050 . 4.460 3.208 3.038 3.450 . 0 0 "[ . 1 . 2]" 1
1148 1 63 ILE HA 1 66 PHE QB 3.860 . 4.250 2.587 2.331 2.901 . 0 0 "[ . 1 . 2]" 1
1149 1 63 ILE HB 1 63 ILE MD 3.510 . 3.860 2.459 2.432 2.506 . 0 0 "[ . 1 . 2]" 1
1150 1 63 ILE HB 1 64 ASN H 4.590 . 5.050 2.624 2.439 2.842 . 0 0 "[ . 1 . 2]" 1
1151 1 63 ILE HB 1 65 LYS H 6.000 . 6.600 5.051 4.859 5.293 . 0 0 "[ . 1 . 2]" 1
1152 1 63 ILE MD 1 63 ILE MG 3.040 . 3.340 2.015 1.876 3.262 . 0 0 "[ . 1 . 2]" 1
1153 1 63 ILE MD 1 64 ASN H 6.000 . 6.600 4.612 4.029 4.781 . 0 0 "[ . 1 . 2]" 1
1154 1 63 ILE QG 1 64 ASN H 5.810 . 6.390 4.075 3.965 4.455 . 0 0 "[ . 1 . 2]" 1
1155 1 63 ILE MG 1 64 ASN H 6.000 . 6.600 3.347 2.933 3.594 . 0 0 "[ . 1 . 2]" 1
1156 1 63 ILE MG 1 66 PHE QB 5.790 . 6.370 3.308 2.945 3.589 . 0 0 "[ . 1 . 2]" 1
1157 1 63 ILE MG 1 66 PHE QD 5.350 . 5.890 3.618 2.942 4.004 . 0 0 "[ . 1 . 2]" 1
1158 1 63 ILE MG 1 67 ILE H 6.000 . 6.600 3.853 3.628 4.051 . 0 0 "[ . 1 . 2]" 1
1159 1 63 ILE MG 1 67 ILE HA 6.000 . 6.600 5.141 4.665 5.564 . 0 0 "[ . 1 . 2]" 1
1160 1 63 ILE MG 1 67 ILE MD 3.260 . 3.590 2.441 1.898 2.995 . 0 0 "[ . 1 . 2]" 1
1161 1 63 ILE MG 1 67 ILE HG12 6.000 . 6.600 3.659 3.291 4.025 . 0 0 "[ . 1 . 2]" 1
1162 1 63 ILE MG 1 67 ILE HG13 4.670 . 5.140 2.789 2.404 4.627 . 0 0 "[ . 1 . 2]" 1
1163 1 64 ASN H 1 64 ASN HB2 3.590 . 3.950 2.497 2.374 2.607 . 0 0 "[ . 1 . 2]" 1
1164 1 64 ASN H 1 64 ASN QB 3.120 . 3.430 2.285 2.218 2.454 . 0 0 "[ . 1 . 2]" 1
1165 1 64 ASN H 1 64 ASN HB3 3.590 . 3.950 2.767 2.481 3.625 . 0 0 "[ . 1 . 2]" 1
1166 1 64 ASN H 1 65 LYS H 3.870 . 4.260 2.737 2.677 2.842 . 0 0 "[ . 1 . 2]" 1
1167 1 64 ASN HA 1 67 ILE HB 4.470 . 4.920 2.649 2.169 2.936 . 0 0 "[ . 1 . 2]" 1
1168 1 64 ASN HA 1 67 ILE MD 3.990 . 4.390 2.408 1.969 3.005 . 0 0 "[ . 1 . 2]" 1
1169 1 64 ASN HA 1 67 ILE HG12 6.000 . 6.600 4.473 3.934 5.017 . 0 0 "[ . 1 . 2]" 1
1170 1 64 ASN QB 1 65 LYS H 3.640 . 4.000 2.548 2.379 2.794 . 0 0 "[ . 1 . 2]" 1
1171 1 64 ASN HB2 1 65 LYS H 4.300 . 4.730 3.625 2.607 3.961 . 0 0 "[ . 1 . 2]" 1
1172 1 64 ASN HB3 1 65 LYS H 4.300 . 4.730 2.770 2.406 3.713 . 0 0 "[ . 1 . 2]" 1
1173 1 65 LYS H 1 65 LYS HB2 3.220 . 3.540 2.536 2.215 2.730 . 0 0 "[ . 1 . 2]" 1
1174 1 65 LYS H 1 65 LYS HB3 3.220 . 3.540 2.462 2.214 2.855 . 0 0 "[ . 1 . 2]" 1
1175 1 65 LYS H 1 65 LYS QD 4.450 . 4.890 4.469 3.894 4.827 . 0 0 "[ . 1 . 2]" 1
1176 1 65 LYS H 1 65 LYS QG 4.570 . 5.030 3.971 3.859 4.035 . 0 0 "[ . 1 . 2]" 1
1177 1 65 LYS H 1 66 PHE H 3.540 . 3.890 2.783 2.650 2.909 . 0 0 "[ . 1 . 2]" 1
1178 1 65 LYS HA 1 65 LYS HD2 5.210 . 5.730 4.270 2.160 4.940 . 0 0 "[ . 1 . 2]" 1
1179 1 65 LYS HA 1 65 LYS QD 4.530 . 4.980 3.745 2.114 4.291 . 0 0 "[ . 1 . 2]" 1
1180 1 65 LYS HA 1 65 LYS HD3 5.210 . 5.730 4.319 2.357 4.921 . 0 0 "[ . 1 . 2]" 1
1181 1 65 LYS HA 1 65 LYS HG2 4.080 . 4.490 3.178 2.397 3.877 . 0 0 "[ . 1 . 2]" 1
1182 1 65 LYS HA 1 65 LYS HG3 4.080 . 4.490 2.932 2.592 3.762 . 0 0 "[ . 1 . 2]" 1
1183 1 65 LYS HA 1 68 ARG H 4.900 . 5.390 3.684 3.364 4.301 . 0 0 "[ . 1 . 2]" 1
1184 1 65 LYS HA 1 68 ARG QB 3.530 . 3.880 2.983 2.376 3.957 0.077 5 0 "[ . 1 . 2]" 1
1185 1 65 LYS QB 1 65 LYS QD 2.980 . 3.280 2.300 2.086 2.771 . 0 0 "[ . 1 . 2]" 1
1186 1 65 LYS QB 1 65 LYS QE 3.800 . 4.180 2.793 1.890 3.769 . 0 0 "[ . 1 . 2]" 1
1187 1 65 LYS QB 1 66 PHE H 3.520 . 3.870 2.583 2.330 2.925 . 0 0 "[ . 1 . 2]" 1
1188 1 65 LYS QB 1 67 ILE H 5.760 . 6.340 4.856 4.681 5.179 . 0 0 "[ . 1 . 2]" 1
1189 1 65 LYS HB2 1 65 LYS HE2 5.270 . 5.800 4.012 2.679 5.425 . 0 0 "[ . 1 . 2]" 1
1190 1 65 LYS HB2 1 65 LYS HE3 5.270 . 5.800 3.780 1.967 4.819 . 0 0 "[ . 1 . 2]" 1
1191 1 65 LYS HB2 1 66 PHE H 4.140 . 4.550 3.910 3.499 4.160 . 0 0 "[ . 1 . 2]" 1
1192 1 65 LYS HB3 1 65 LYS HE2 5.270 . 5.800 3.885 1.966 4.951 . 0 0 "[ . 1 . 2]" 1
1193 1 65 LYS HB3 1 65 LYS HE3 5.270 . 5.800 3.633 2.008 4.865 . 0 0 "[ . 1 . 2]" 1
1194 1 65 LYS HB3 1 66 PHE H 4.140 . 4.550 2.621 2.365 2.988 . 0 0 "[ . 1 . 2]" 1
1195 1 65 LYS QD 1 65 LYS QG 2.330 . 2.560 2.051 1.995 2.100 . 0 0 "[ . 1 . 2]" 1
1196 1 65 LYS HD2 1 66 PHE H 6.000 . 6.600 5.066 3.073 6.196 . 0 0 "[ . 1 . 2]" 1
1197 1 65 LYS HD3 1 66 PHE H 6.000 . 6.600 5.037 2.908 6.081 . 0 0 "[ . 1 . 2]" 1
1198 1 65 LYS QE 1 65 LYS QG 2.860 . 3.150 2.379 2.150 2.856 . 0 0 "[ . 1 . 2]" 1
1199 1 65 LYS QG 1 68 ARG H 5.810 . 6.390 5.212 4.808 5.567 . 0 0 "[ . 1 . 2]" 1
1200 1 65 LYS HG2 1 66 PHE H 6.000 . 6.600 3.899 3.129 4.884 . 0 0 "[ . 1 . 2]" 1
1201 1 65 LYS HG3 1 66 PHE H 6.000 . 6.600 4.577 3.505 5.001 . 0 0 "[ . 1 . 2]" 1
1202 1 66 PHE H 1 66 PHE HB2 3.460 . 3.810 2.610 2.480 2.797 . 0 0 "[ . 1 . 2]" 1
1203 1 66 PHE H 1 66 PHE QB 3.020 . 3.320 2.252 2.231 2.320 . 0 0 "[ . 1 . 2]" 1
1204 1 66 PHE H 1 66 PHE HB3 3.460 . 3.810 2.471 2.364 2.591 . 0 0 "[ . 1 . 2]" 1
1205 1 66 PHE H 1 66 PHE QD 5.410 . 5.950 4.196 4.165 4.238 . 0 0 "[ . 1 . 2]" 1
1206 1 66 PHE H 1 67 ILE H 3.770 . 4.150 2.711 2.372 2.889 . 0 0 "[ . 1 . 2]" 1
1207 1 66 PHE H 1 68 ARG H 4.920 . 5.410 4.199 3.780 4.482 . 0 0 "[ . 1 . 2]" 1
1208 1 66 PHE H 1 69 ASP H 6.000 . 6.600 5.014 4.603 5.733 . 0 0 "[ . 1 . 2]" 1
1209 1 66 PHE HA 1 69 ASP H 6.000 . 6.600 3.643 3.090 4.404 . 0 0 "[ . 1 . 2]" 1
1210 1 66 PHE HA 1 69 ASP HB2 4.630 . 5.090 3.744 2.973 4.939 . 0 0 "[ . 1 . 2]" 1
1211 1 66 PHE HA 1 69 ASP QB 4.020 . 4.420 3.122 2.182 4.425 0.005 6 0 "[ . 1 . 2]" 1
1212 1 66 PHE HA 1 69 ASP HB3 4.630 . 5.090 3.542 2.240 5.089 . 0 0 "[ . 1 . 2]" 1
1213 1 66 PHE QB 1 67 ILE H 3.920 . 4.310 2.522 2.340 2.806 . 0 0 "[ . 1 . 2]" 1
1214 1 66 PHE QD 1 67 ILE H 6.000 . 6.600 3.387 3.071 3.847 . 0 0 "[ . 1 . 2]" 1
1215 1 66 PHE QD 1 67 ILE HA 5.530 . 6.080 3.516 3.278 3.913 . 0 0 "[ . 1 . 2]" 1
1216 1 66 PHE QD 1 67 ILE MD 5.080 . 5.590 4.377 1.947 5.257 . 0 0 "[ . 1 . 2]" 1
1217 1 66 PHE QD 1 67 ILE HG12 5.200 . 5.720 3.588 2.656 4.695 . 0 0 "[ . 1 . 2]" 1
1218 1 66 PHE QD 1 67 ILE HG13 5.100 . 5.610 3.338 2.585 4.189 . 0 0 "[ . 1 . 2]" 1
1219 1 66 PHE QD 1 67 ILE MG 6.000 . 6.600 4.911 4.326 5.435 . 0 0 "[ . 1 . 2]" 1
1220 1 66 PHE QE 1 67 ILE MD 6.000 . 6.600 5.724 3.778 6.634 0.034 5 0 "[ . 1 . 2]" 1
1221 1 66 PHE QE 1 67 ILE HG13 5.540 . 6.090 5.317 4.636 6.109 0.019 2 0 "[ . 1 . 2]" 1
1222 1 66 PHE QE 1 67 ILE MG 6.000 . 6.600 5.791 4.945 6.344 . 0 0 "[ . 1 . 2]" 1
1223 1 67 ILE H 1 67 ILE HB 3.170 . 3.490 2.543 2.373 2.589 . 0 0 "[ . 1 . 2]" 1
1224 1 67 ILE H 1 67 ILE MD 4.380 . 4.820 3.489 1.957 3.649 . 0 0 "[ . 1 . 2]" 1
1225 1 67 ILE H 1 67 ILE HG12 3.900 . 4.290 3.374 3.254 3.931 . 0 0 "[ . 1 . 2]" 1
1226 1 67 ILE H 1 67 ILE HG13 3.230 . 3.550 2.161 1.995 3.592 0.042 19 0 "[ . 1 . 2]" 1
1227 1 67 ILE H 1 67 ILE MG 4.210 . 4.630 3.781 3.743 3.794 . 0 0 "[ . 1 . 2]" 1
1228 1 67 ILE H 1 68 ARG H 3.880 . 4.270 2.784 2.660 2.944 . 0 0 "[ . 1 . 2]" 1
1229 1 67 ILE H 1 68 ARG QB 5.810 . 6.390 4.615 4.369 4.972 . 0 0 "[ . 1 . 2]" 1
1230 1 67 ILE HA 1 67 ILE MD 4.250 . 4.680 3.786 2.762 3.878 . 0 0 "[ . 1 . 2]" 1
1231 1 67 ILE HA 1 67 ILE HG12 4.210 . 4.630 2.588 2.476 3.606 . 0 0 "[ . 1 . 2]" 1
1232 1 67 ILE HA 1 71 LEU MD2 6.000 . 6.600 4.706 2.814 6.003 . 0 0 "[ . 1 . 2]" 1
1233 1 67 ILE HB 1 67 ILE MD 3.270 . 3.600 2.437 2.391 2.469 . 0 0 "[ . 1 . 2]" 1
1234 1 67 ILE HB 1 68 ARG H 3.630 . 3.990 2.651 2.363 3.131 . 0 0 "[ . 1 . 2]" 1
1235 1 67 ILE MD 1 68 ARG H 5.420 . 5.960 4.608 4.009 4.919 . 0 0 "[ . 1 . 2]" 1
1236 1 67 ILE HG12 1 67 ILE MG 3.570 . 3.930 2.400 2.269 2.437 . 0 0 "[ . 1 . 2]" 1
1237 1 67 ILE HG12 1 68 ARG H 6.000 . 6.600 5.006 4.909 5.163 . 0 0 "[ . 1 . 2]" 1
1238 1 67 ILE HG13 1 67 ILE MG 3.420 . 3.760 3.181 2.497 3.223 . 0 0 "[ . 1 . 2]" 1
1239 1 67 ILE HG13 1 68 ARG H 4.340 . 4.770 4.311 4.157 4.881 0.111 19 0 "[ . 1 . 2]" 1
1240 1 67 ILE MG 1 68 ARG H 4.090 . 4.500 3.396 2.755 3.884 . 0 0 "[ . 1 . 2]" 1
1241 1 67 ILE MG 1 68 ARG HA 6.000 . 6.600 3.462 2.847 3.826 . 0 0 "[ . 1 . 2]" 1
1242 1 67 ILE MG 1 71 LEU MD2 3.190 . 3.510 2.701 1.904 3.573 0.063 18 0 "[ . 1 . 2]" 1
1243 1 68 ARG H 1 68 ARG HB2 3.530 . 3.880 2.583 2.197 3.624 . 0 0 "[ . 1 . 2]" 1
1244 1 68 ARG H 1 68 ARG QB 2.900 . 3.190 2.328 2.134 2.573 . 0 0 "[ . 1 . 2]" 1
1245 1 68 ARG H 1 68 ARG HB3 3.530 . 3.880 2.939 2.368 3.617 . 0 0 "[ . 1 . 2]" 1
1246 1 68 ARG H 1 68 ARG HG2 4.620 . 5.080 3.672 2.061 4.612 . 0 0 "[ . 1 . 2]" 1
1247 1 68 ARG H 1 68 ARG QG 4.050 . 4.460 3.224 2.048 4.053 . 0 0 "[ . 1 . 2]" 1
1248 1 68 ARG H 1 68 ARG HG3 4.620 . 5.080 3.928 2.180 4.574 . 0 0 "[ . 1 . 2]" 1
1249 1 68 ARG H 1 69 ASP H 3.800 . 4.180 2.793 2.424 3.035 . 0 0 "[ . 1 . 2]" 1
1250 1 68 ARG HA 1 68 ARG QG 3.730 . 4.100 2.729 2.357 3.456 . 0 0 "[ . 1 . 2]" 1
1251 1 68 ARG HA 1 71 LEU QB 4.480 . 4.930 3.064 2.206 4.208 . 0 0 "[ . 1 . 2]" 1
1252 1 68 ARG HA 1 71 LEU MD2 5.610 . 6.170 3.688 2.163 5.554 . 0 0 "[ . 1 . 2]" 1
1253 1 68 ARG QB 1 68 ARG QD 3.310 . 3.640 2.403 2.132 2.883 . 0 0 "[ . 1 . 2]" 1
1254 1 68 ARG QB 1 69 ASP H 3.610 . 3.970 2.661 2.127 3.540 . 0 0 "[ . 1 . 2]" 1
1255 1 68 ARG HB2 1 69 ASP H 4.170 . 4.590 3.433 2.313 4.052 . 0 0 "[ . 1 . 2]" 1
1256 1 68 ARG HB3 1 69 ASP H 4.170 . 4.590 3.082 2.146 4.084 . 0 0 "[ . 1 . 2]" 1
1257 1 68 ARG QD 1 68 ARG QG 2.290 . 2.520 2.048 1.988 2.098 . 0 0 "[ . 1 . 2]" 1
1258 1 68 ARG QD 1 69 ASP H 4.930 . 5.420 4.496 2.542 5.489 0.069 10 0 "[ . 1 . 2]" 1
1259 1 68 ARG QG 1 69 ASP H 5.810 . 6.390 3.777 2.303 4.268 . 0 0 "[ . 1 . 2]" 1
1260 1 69 ASP H 1 69 ASP HB2 3.410 . 3.750 2.496 2.315 2.651 . 0 0 "[ . 1 . 2]" 1
1261 1 69 ASP H 1 69 ASP HB3 3.410 . 3.750 2.722 2.487 3.617 . 0 0 "[ . 1 . 2]" 1
1262 1 69 ASP H 1 70 SER H 3.620 . 3.980 2.676 2.346 2.925 . 0 0 "[ . 1 . 2]" 1
1263 1 69 ASP H 1 71 LEU QB 5.810 . 6.390 5.128 4.390 5.918 . 0 0 "[ . 1 . 2]" 1
1264 1 69 ASP HB2 1 70 SER H 4.850 . 5.330 3.724 2.476 4.081 . 0 0 "[ . 1 . 2]" 1
1265 1 69 ASP HB3 1 70 SER H 4.850 . 5.330 2.841 2.361 4.010 . 0 0 "[ . 1 . 2]" 1
1266 1 70 SER H 1 70 SER HB2 3.570 . 3.930 2.635 2.456 3.644 . 0 0 "[ . 1 . 2]" 1
1267 1 70 SER H 1 70 SER QB 3.050 . 3.360 2.372 2.250 2.634 . 0 0 "[ . 1 . 2]" 1
1268 1 70 SER H 1 70 SER HB3 3.570 . 3.930 2.965 2.472 3.638 . 0 0 "[ . 1 . 2]" 1
1269 1 70 SER H 1 71 LEU H 3.620 . 3.980 2.623 2.416 2.852 . 0 0 "[ . 1 . 2]" 1
1270 1 70 SER QB 1 71 LEU H 4.070 . 4.480 2.735 2.338 3.041 . 0 0 "[ . 1 . 2]" 1
1271 1 70 SER HB2 1 71 LEU H 4.690 . 5.160 3.464 2.381 4.174 . 0 0 "[ . 1 . 2]" 1
1272 1 70 SER HB3 1 71 LEU H 4.690 . 5.160 3.225 2.439 3.946 . 0 0 "[ . 1 . 2]" 1
1273 1 71 LEU H 1 71 LEU HB2 3.730 . 4.100 2.420 2.235 2.692 . 0 0 "[ . 1 . 2]" 1
1274 1 71 LEU H 1 71 LEU QB 3.020 . 3.320 2.260 2.166 2.345 . 0 0 "[ . 1 . 2]" 1
1275 1 71 LEU H 1 71 LEU HB3 3.730 . 4.100 3.054 2.427 3.607 . 0 0 "[ . 1 . 2]" 1
1276 1 71 LEU H 1 71 LEU MD1 4.320 . 4.750 3.728 1.954 4.307 . 0 0 "[ . 1 . 2]" 1
1277 1 71 LEU H 1 71 LEU MD2 4.290 . 4.720 3.465 2.120 4.297 . 0 0 "[ . 1 . 2]" 1
1278 1 71 LEU H 1 72 GLU H 3.390 . 3.730 2.605 2.380 2.823 . 0 0 "[ . 1 . 2]" 1
1279 1 71 LEU HA 1 71 LEU MD1 2.830 . 3.110 2.194 1.913 2.905 . 0 0 "[ . 1 . 2]" 1
1280 1 71 LEU HA 1 71 LEU MD2 4.090 . 4.500 3.243 1.938 3.906 . 0 0 "[ . 1 . 2]" 1
1281 1 71 LEU HA 1 71 LEU HG 4.140 . 4.550 3.310 2.484 3.750 . 0 0 "[ . 1 . 2]" 1
1282 1 71 LEU QB 1 71 LEU MD1 2.740 . 3.010 2.330 2.288 2.379 . 0 0 "[ . 1 . 2]" 1
1283 1 71 LEU QB 1 71 LEU MD2 2.770 . 3.050 2.206 2.098 2.367 . 0 0 "[ . 1 . 2]" 1
1284 1 71 LEU QB 1 71 LEU HG 2.500 . 2.750 2.283 2.168 2.390 . 0 0 "[ . 1 . 2]" 1
1285 1 71 LEU QB 1 72 GLU H 4.050 . 4.460 2.617 2.135 3.069 . 0 0 "[ . 1 . 2]" 1
1286 1 71 LEU HB2 1 71 LEU MD1 3.210 . 3.530 2.766 2.366 3.221 . 0 0 "[ . 1 . 2]" 1
1287 1 71 LEU HB2 1 71 LEU MD2 3.260 . 3.590 2.399 2.347 2.451 . 0 0 "[ . 1 . 2]" 1
1288 1 71 LEU HB2 1 72 GLU H 4.710 . 5.180 3.336 2.581 4.014 . 0 0 "[ . 1 . 2]" 1
1289 1 71 LEU HB3 1 71 LEU MD1 3.210 . 3.530 2.842 2.343 3.224 . 0 0 "[ . 1 . 2]" 1
1290 1 71 LEU HB3 1 71 LEU MD2 3.260 . 3.590 2.727 2.294 3.221 . 0 0 "[ . 1 . 2]" 1
1291 1 71 LEU HB3 1 72 GLU H 4.710 . 5.180 3.033 2.150 3.846 . 0 0 "[ . 1 . 2]" 1
1292 1 71 LEU MD1 1 72 GLU H 6.000 . 6.600 4.392 3.492 4.789 . 0 0 "[ . 1 . 2]" 1
1293 1 71 LEU MD2 1 72 GLU H 6.000 . 6.600 4.309 3.913 5.007 . 0 0 "[ . 1 . 2]" 1
1294 1 71 LEU MD2 1 72 GLU QG 5.810 . 6.390 5.416 4.518 6.437 0.047 7 0 "[ . 1 . 2]" 1
1295 1 71 LEU HG 1 72 GLU H 6.000 . 6.600 4.576 3.366 5.515 . 0 0 "[ . 1 . 2]" 1
1296 1 72 GLU H 1 72 GLU QB 3.550 . 3.900 2.886 2.156 3.406 . 0 0 "[ . 1 . 2]" 1
1297 1 72 GLU H 1 72 GLU HG2 4.090 . 4.500 3.144 1.993 4.188 . 0 0 "[ . 1 . 2]" 1
1298 1 72 GLU H 1 72 GLU QG 3.510 . 3.860 2.702 1.970 3.863 0.003 2 0 "[ . 1 . 2]" 1
1299 1 72 GLU H 1 72 GLU HG3 4.090 . 4.500 3.317 2.336 4.533 0.033 2 0 "[ . 1 . 2]" 1
1300 1 72 GLU HA 1 72 GLU HG2 3.970 . 4.370 2.917 2.326 4.146 . 0 0 "[ . 1 . 2]" 1
1301 1 72 GLU HA 1 72 GLU QG 3.420 . 3.760 2.690 2.273 3.400 . 0 0 "[ . 1 . 2]" 1
1302 1 72 GLU HA 1 72 GLU HG3 3.970 . 4.370 3.376 2.530 3.822 . 0 0 "[ . 1 . 2]" 1
1303 1 72 GLU QB 1 72 GLU QG 2.350 . 2.580 2.050 1.988 2.094 . 0 0 "[ . 1 . 2]" 1
1304 1 72 GLU HB2 1 73 HIS H 6.000 . 6.600 3.646 1.966 4.642 . 0 0 "[ . 1 . 2]" 1
1305 1 72 GLU HB3 1 73 HIS H 6.000 . 6.600 3.776 1.890 4.511 . 0 0 "[ . 1 . 2]" 1
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