NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
399753 |
1udl   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1udl
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 1674
_Distance_constraint_stats_list.Viol_count 1070
_Distance_constraint_stats_list.Viol_total 240.778
_Distance_constraint_stats_list.Viol_max 0.151
_Distance_constraint_stats_list.Viol_rms 0.0034
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0113
_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 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLN 0.007 0.006 8 0 "[ . 1 . 2]"
1 9 LYS 0.024 0.011 14 0 "[ . 1 . 2]"
1 10 GLY 0.017 0.011 14 0 "[ . 1 . 2]"
1 11 TRP 0.281 0.127 10 0 "[ . 1 . 2]"
1 12 PHE 0.040 0.017 9 0 "[ . 1 . 2]"
1 13 PRO 0.117 0.047 10 0 "[ . 1 . 2]"
1 14 ALA 0.070 0.047 10 0 "[ . 1 . 2]"
1 15 SER 0.003 0.003 10 0 "[ . 1 . 2]"
1 16 HIS 0.001 0.000 17 0 "[ . 1 . 2]"
1 17 VAL 0.211 0.056 13 0 "[ . 1 . 2]"
1 18 LYS 0.311 0.151 13 0 "[ . 1 . 2]"
1 19 LEU 0.219 0.151 13 0 "[ . 1 . 2]"
1 20 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 PRO 0.148 0.025 7 0 "[ . 1 . 2]"
1 23 SER 0.148 0.025 7 0 "[ . 1 . 2]"
1 24 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ARG 0.125 0.089 13 0 "[ . 1 . 2]"
1 27 ALA 0.115 0.081 2 0 "[ . 1 . 2]"
1 28 THR 0.242 0.081 2 0 "[ . 1 . 2]"
1 29 PRO 0.127 0.038 17 0 "[ . 1 . 2]"
1 30 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 PHE 0.127 0.041 19 0 "[ . 1 . 2]"
1 32 HIS 0.133 0.037 16 0 "[ . 1 . 2]"
1 33 PRO 0.164 0.037 16 0 "[ . 1 . 2]"
1 34 VAL 0.291 0.123 12 0 "[ . 1 . 2]"
1 35 CYS 0.219 0.123 12 0 "[ . 1 . 2]"
1 36 GLN 0.146 0.023 14 0 "[ . 1 . 2]"
1 37 VAL 0.112 0.012 8 0 "[ . 1 . 2]"
1 38 ILE 0.393 0.042 16 0 "[ . 1 . 2]"
1 39 ALA 0.094 0.013 3 0 "[ . 1 . 2]"
1 40 MET 0.127 0.016 3 0 "[ . 1 . 2]"
1 41 TYR 0.058 0.012 16 0 "[ . 1 . 2]"
1 42 ASP 0.155 0.027 20 0 "[ . 1 . 2]"
1 43 TYR 0.320 0.027 20 0 "[ . 1 . 2]"
1 44 ALA 0.100 0.024 9 0 "[ . 1 . 2]"
1 45 ALA 0.128 0.030 11 0 "[ . 1 . 2]"
1 46 ASN 0.008 0.003 17 0 "[ . 1 . 2]"
1 47 ASN 0.122 0.034 4 0 "[ . 1 . 2]"
1 48 GLU 0.080 0.067 4 0 "[ . 1 . 2]"
1 49 ASP 0.167 0.088 4 0 "[ . 1 . 2]"
1 50 GLU 0.427 0.089 11 0 "[ . 1 . 2]"
1 51 LEU 0.429 0.018 10 0 "[ . 1 . 2]"
1 52 SER 0.912 0.114 5 0 "[ . 1 . 2]"
1 53 PHE 1.270 0.114 5 0 "[ . 1 . 2]"
1 54 SER 0.293 0.035 15 0 "[ . 1 . 2]"
1 55 LYS 0.491 0.115 19 0 "[ . 1 . 2]"
1 56 GLY 0.317 0.042 16 0 "[ . 1 . 2]"
1 57 GLN 0.771 0.048 9 0 "[ . 1 . 2]"
1 58 LEU 0.451 0.040 8 0 "[ . 1 . 2]"
1 59 ILE 0.787 0.068 17 0 "[ . 1 . 2]"
1 60 ASN 0.043 0.026 18 0 "[ . 1 . 2]"
1 61 VAL 0.549 0.048 8 0 "[ . 1 . 2]"
1 62 MET 0.423 0.057 4 0 "[ . 1 . 2]"
1 63 ASN 0.207 0.057 4 0 "[ . 1 . 2]"
1 64 LYS 0.219 0.030 11 0 "[ . 1 . 2]"
1 65 ASP 0.066 0.014 2 0 "[ . 1 . 2]"
1 66 ASP 0.095 0.039 14 0 "[ . 1 . 2]"
1 67 PRO 0.001 0.001 2 0 "[ . 1 . 2]"
1 68 ASP 0.200 0.025 1 0 "[ . 1 . 2]"
1 69 TRP 0.454 0.039 14 0 "[ . 1 . 2]"
1 70 TRP 0.646 0.032 19 0 "[ . 1 . 2]"
1 71 GLN 0.152 0.023 13 0 "[ . 1 . 2]"
1 72 GLY 0.546 0.025 17 0 "[ . 1 . 2]"
1 73 GLU 1.212 0.068 17 0 "[ . 1 . 2]"
1 74 ILE 0.510 0.040 8 0 "[ . 1 . 2]"
1 75 ASN 0.440 0.044 13 0 "[ . 1 . 2]"
1 76 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 VAL 0.945 0.052 15 0 "[ . 1 . 2]"
1 78 THR 0.742 0.068 12 0 "[ . 1 . 2]"
1 79 GLY 0.354 0.025 17 0 "[ . 1 . 2]"
1 80 LEU 0.165 0.022 15 0 "[ . 1 . 2]"
1 81 PHE 0.540 0.026 19 0 "[ . 1 . 2]"
1 82 PRO 0.702 0.080 11 0 "[ . 1 . 2]"
1 83 SER 0.500 0.032 19 0 "[ . 1 . 2]"
1 84 ASN 0.062 0.017 20 0 "[ . 1 . 2]"
1 85 TYR 0.963 0.080 11 0 "[ . 1 . 2]"
1 86 VAL 0.209 0.016 3 0 "[ . 1 . 2]"
1 87 LYS 0.109 0.031 16 0 "[ . 1 . 2]"
1 88 MET 0.023 0.016 16 0 "[ . 1 . 2]"
1 89 THR 0.003 0.003 20 0 "[ . 1 . 2]"
1 90 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 GLY 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 6 SER QB 1 7 GLY H . . 4.380 3.162 2.122 3.970 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY H 1 8 GLN H . . 4.230 3.046 1.923 4.228 . 0 0 "[ . 1 . 2]" 1
3 1 8 GLN H 1 8 GLN QB . . 3.520 2.403 2.199 2.739 . 0 0 "[ . 1 . 2]" 1
4 1 8 GLN H 1 8 GLN HG2 . . 5.140 3.752 1.955 4.758 . 0 0 "[ . 1 . 2]" 1
5 1 8 GLN H 1 8 GLN QG . . 4.430 3.257 1.940 4.119 . 0 0 "[ . 1 . 2]" 1
6 1 8 GLN H 1 8 GLN HG3 . . 5.140 3.873 2.985 4.572 . 0 0 "[ . 1 . 2]" 1
7 1 8 GLN H 1 9 LYS H . . 4.610 4.413 3.993 4.616 0.006 8 0 "[ . 1 . 2]" 1
8 1 8 GLN HA 1 9 LYS H . . 3.150 2.179 2.138 2.237 . 0 0 "[ . 1 . 2]" 1
9 1 8 GLN QB 1 9 LYS H . . 4.190 3.345 2.839 3.915 . 0 0 "[ . 1 . 2]" 1
10 1 8 GLN HB2 1 9 LYS H . . 4.800 4.089 2.897 4.576 . 0 0 "[ . 1 . 2]" 1
11 1 8 GLN HB3 1 9 LYS H . . 4.800 3.732 2.954 4.297 . 0 0 "[ . 1 . 2]" 1
12 1 9 LYS H 1 9 LYS HB2 . . 4.150 2.956 2.293 3.939 . 0 0 "[ . 1 . 2]" 1
13 1 9 LYS H 1 9 LYS QB . . 3.580 2.645 2.249 3.182 . 0 0 "[ . 1 . 2]" 1
14 1 9 LYS H 1 9 LYS HB3 . . 4.150 3.310 2.460 4.084 . 0 0 "[ . 1 . 2]" 1
15 1 9 LYS H 1 9 LYS HG2 . . 5.140 3.575 1.900 5.061 . 0 0 "[ . 1 . 2]" 1
16 1 9 LYS H 1 9 LYS QG . . 4.380 2.887 1.859 4.293 . 0 0 "[ . 1 . 2]" 1
17 1 9 LYS H 1 9 LYS HG3 . . 5.140 3.313 1.904 4.640 . 0 0 "[ . 1 . 2]" 1
18 1 9 LYS HA 1 10 GLY H . . 3.560 2.571 2.153 3.571 0.011 14 0 "[ . 1 . 2]" 1
19 1 9 LYS HA 1 11 TRP H . . 5.080 4.460 3.794 5.079 . 0 0 "[ . 1 . 2]" 1
20 1 9 LYS QB 1 10 GLY H . . 4.270 3.303 2.320 4.053 . 0 0 "[ . 1 . 2]" 1
21 1 9 LYS HB2 1 10 GLY H . . 5.000 3.914 2.410 4.575 . 0 0 "[ . 1 . 2]" 1
22 1 9 LYS HB3 1 10 GLY H . . 5.000 3.750 2.347 4.636 . 0 0 "[ . 1 . 2]" 1
23 1 9 LYS HG2 1 10 GLY H . . 5.500 4.660 3.169 5.428 . 0 0 "[ . 1 . 2]" 1
24 1 9 LYS HG3 1 10 GLY H . . 5.500 4.462 1.915 5.493 . 0 0 "[ . 1 . 2]" 1
25 1 10 GLY H 1 11 TRP H . . 3.970 2.845 2.276 3.647 . 0 0 "[ . 1 . 2]" 1
26 1 11 TRP H 1 11 TRP HB2 . . 3.510 2.941 2.524 3.517 0.007 10 0 "[ . 1 . 2]" 1
27 1 11 TRP H 1 11 TRP QB . . 3.060 2.354 2.171 2.832 . 0 0 "[ . 1 . 2]" 1
28 1 11 TRP H 1 11 TRP HB3 . . 3.510 2.519 2.192 3.008 . 0 0 "[ . 1 . 2]" 1
29 1 11 TRP H 1 11 TRP HD1 . . 5.210 4.740 2.535 5.194 . 0 0 "[ . 1 . 2]" 1
30 1 11 TRP H 1 11 TRP HE3 . . 5.500 4.785 1.945 5.627 0.127 10 0 "[ . 1 . 2]" 1
31 1 11 TRP HA 1 11 TRP HD1 . . 4.280 4.051 3.637 4.281 0.001 9 0 "[ . 1 . 2]" 1
32 1 11 TRP HA 1 11 TRP HE3 . . 4.580 3.618 2.960 4.632 0.052 10 0 "[ . 1 . 2]" 1
33 1 11 TRP HA 1 12 PHE H . . 2.780 2.230 2.144 2.654 . 0 0 "[ . 1 . 2]" 1
34 1 11 TRP QB 1 11 TRP HD1 . . 3.360 2.705 2.548 2.990 . 0 0 "[ . 1 . 2]" 1
35 1 11 TRP QB 1 11 TRP HE3 . . 3.530 2.489 2.378 2.682 . 0 0 "[ . 1 . 2]" 1
36 1 11 TRP QB 1 12 PHE H . . 4.220 3.534 2.285 3.940 . 0 0 "[ . 1 . 2]" 1
37 1 11 TRP HB2 1 12 PHE H . . 4.930 3.941 2.307 4.410 . 0 0 "[ . 1 . 2]" 1
38 1 11 TRP HB3 1 12 PHE H . . 4.930 4.118 3.688 4.464 . 0 0 "[ . 1 . 2]" 1
39 1 11 TRP HD1 1 12 PHE H . . 4.950 3.596 2.311 4.679 . 0 0 "[ . 1 . 2]" 1
40 1 11 TRP HD1 1 13 PRO QD . . 4.620 2.786 1.979 4.632 0.012 9 0 "[ . 1 . 2]" 1
41 1 11 TRP HE1 1 13 PRO HA . . 4.930 3.029 2.239 4.781 . 0 0 "[ . 1 . 2]" 1
42 1 11 TRP HE1 1 13 PRO QB . . 5.340 3.476 2.769 4.004 . 0 0 "[ . 1 . 2]" 1
43 1 11 TRP HE1 1 13 PRO QG . . 5.350 4.755 2.590 5.367 0.017 13 0 "[ . 1 . 2]" 1
44 1 11 TRP HE3 1 12 PHE H . . 5.290 4.870 3.970 5.307 0.017 9 0 "[ . 1 . 2]" 1
45 1 11 TRP HH2 1 64 LYS HA . . 3.760 3.153 2.730 3.485 . 0 0 "[ . 1 . 2]" 1
46 1 11 TRP HH2 1 64 LYS HB2 . . 5.500 5.316 4.969 5.503 0.003 5 0 "[ . 1 . 2]" 1
47 1 11 TRP HH2 1 64 LYS HB3 . . 5.500 5.360 5.069 5.502 0.002 14 0 "[ . 1 . 2]" 1
48 1 11 TRP HH2 1 66 ASP H . . 4.800 3.522 2.937 4.252 . 0 0 "[ . 1 . 2]" 1
49 1 11 TRP HH2 1 66 ASP HB2 . . 4.580 3.821 3.167 4.320 . 0 0 "[ . 1 . 2]" 1
50 1 11 TRP HH2 1 69 TRP H . . 4.960 4.713 4.403 4.959 . 0 0 "[ . 1 . 2]" 1
51 1 11 TRP HH2 1 70 TRP H . . 4.580 4.299 3.899 4.567 . 0 0 "[ . 1 . 2]" 1
52 1 11 TRP HH2 1 70 TRP HA . . 3.290 2.238 2.058 2.383 . 0 0 "[ . 1 . 2]" 1
53 1 11 TRP HH2 1 70 TRP HB2 . . 5.240 5.167 5.020 5.243 0.003 14 0 "[ . 1 . 2]" 1
54 1 11 TRP HH2 1 71 GLN H . . 3.970 3.436 2.724 3.715 . 0 0 "[ . 1 . 2]" 1
55 1 11 TRP HZ2 1 13 PRO HA . . 5.100 4.825 3.641 5.101 0.001 18 0 "[ . 1 . 2]" 1
56 1 12 PHE H 1 12 PHE HB2 . . 3.890 3.091 2.305 3.842 . 0 0 "[ . 1 . 2]" 1
57 1 12 PHE H 1 12 PHE QB . . 3.240 2.624 2.220 3.154 . 0 0 "[ . 1 . 2]" 1
58 1 12 PHE H 1 12 PHE HB3 . . 3.890 3.227 2.275 3.822 . 0 0 "[ . 1 . 2]" 1
59 1 12 PHE H 1 12 PHE QD . . 5.210 2.962 2.070 4.327 . 0 0 "[ . 1 . 2]" 1
60 1 12 PHE H 1 13 PRO HD2 . . 5.500 4.662 4.485 4.828 . 0 0 "[ . 1 . 2]" 1
61 1 12 PHE H 1 13 PRO QD . . 4.770 3.994 3.715 4.296 . 0 0 "[ . 1 . 2]" 1
62 1 12 PHE H 1 13 PRO HD3 . . 5.500 4.355 3.964 4.818 . 0 0 "[ . 1 . 2]" 1
63 1 12 PHE HA 1 12 PHE QD . . 4.080 3.113 2.507 3.710 . 0 0 "[ . 1 . 2]" 1
64 1 12 PHE HA 1 13 PRO HD2 . . 3.330 1.995 1.912 2.234 . 0 0 "[ . 1 . 2]" 1
65 1 12 PHE HA 1 13 PRO HD3 . . 3.330 2.407 2.251 2.525 . 0 0 "[ . 1 . 2]" 1
66 1 12 PHE QB 1 13 PRO QD . . 3.680 3.141 2.289 3.685 0.005 16 0 "[ . 1 . 2]" 1
67 1 12 PHE QD 1 13 PRO HD2 . . 5.410 3.714 2.407 4.908 . 0 0 "[ . 1 . 2]" 1
68 1 12 PHE QD 1 13 PRO QD . . 4.540 3.583 2.388 4.531 . 0 0 "[ . 1 . 2]" 1
69 1 12 PHE QD 1 13 PRO HD3 . . 5.410 4.814 4.000 5.320 . 0 0 "[ . 1 . 2]" 1
70 1 13 PRO HA 1 14 ALA H . . 2.850 2.495 2.207 2.640 . 0 0 "[ . 1 . 2]" 1
71 1 13 PRO QB 1 15 SER H . . 5.340 3.594 2.214 5.174 . 0 0 "[ . 1 . 2]" 1
72 1 13 PRO HB2 1 14 ALA H . . 3.790 2.401 2.070 3.208 . 0 0 "[ . 1 . 2]" 1
73 1 13 PRO HB3 1 14 ALA H . . 3.790 3.357 3.208 3.790 0.000 10 0 "[ . 1 . 2]" 1
74 1 13 PRO QD 1 14 ALA H . . 4.960 4.887 4.789 5.007 0.047 10 0 "[ . 1 . 2]" 1
75 1 13 PRO QG 1 15 SER H . . 5.350 3.828 2.779 5.267 . 0 0 "[ . 1 . 2]" 1
76 1 14 ALA H 1 14 ALA MB . . 3.020 2.319 2.027 2.740 . 0 0 "[ . 1 . 2]" 1
77 1 14 ALA H 1 15 SER HA . . 5.460 4.963 4.525 5.463 0.003 10 0 "[ . 1 . 2]" 1
78 1 14 ALA HA 1 15 SER H . . 3.180 2.575 2.155 3.051 . 0 0 "[ . 1 . 2]" 1
79 1 15 SER H 1 15 SER QB . . 3.570 2.532 2.174 2.918 . 0 0 "[ . 1 . 2]" 1
80 1 16 HIS H 1 17 VAL H . . 5.130 4.476 4.202 4.637 . 0 0 "[ . 1 . 2]" 1
81 1 16 HIS HA 1 16 HIS HD2 . . 4.800 4.328 3.183 4.800 0.000 17 0 "[ . 1 . 2]" 1
82 1 16 HIS HA 1 17 VAL H . . 3.050 2.215 2.140 2.379 . 0 0 "[ . 1 . 2]" 1
83 1 16 HIS QB 1 17 VAL H . . 4.170 3.637 3.239 3.925 . 0 0 "[ . 1 . 2]" 1
84 1 16 HIS HB2 1 17 VAL H . . 4.830 4.204 3.685 4.478 . 0 0 "[ . 1 . 2]" 1
85 1 16 HIS HB3 1 17 VAL H . . 4.830 4.004 3.438 4.365 . 0 0 "[ . 1 . 2]" 1
86 1 16 HIS HE1 1 17 VAL H . . 4.810 4.436 3.651 4.802 . 0 0 "[ . 1 . 2]" 1
87 1 17 VAL H 1 17 VAL HB . . 3.900 3.092 2.523 3.803 . 0 0 "[ . 1 . 2]" 1
88 1 17 VAL H 1 17 VAL MG1 . . 3.810 2.912 1.877 3.866 0.056 13 0 "[ . 1 . 2]" 1
89 1 17 VAL H 1 17 VAL QG . . 3.330 2.153 1.869 2.742 . 0 0 "[ . 1 . 2]" 1
90 1 17 VAL H 1 17 VAL MG2 . . 3.810 2.754 1.889 3.840 0.030 5 0 "[ . 1 . 2]" 1
91 1 17 VAL H 1 18 LYS H . . 4.580 4.371 3.843 4.519 . 0 0 "[ . 1 . 2]" 1
92 1 17 VAL H 1 18 LYS HA . . 5.100 5.009 4.726 5.127 0.027 13 0 "[ . 1 . 2]" 1
93 1 17 VAL H 1 19 LEU H . . 5.500 5.281 4.754 5.517 0.017 18 0 "[ . 1 . 2]" 1
94 1 17 VAL HA 1 18 LYS H . . 2.790 2.185 2.139 2.253 . 0 0 "[ . 1 . 2]" 1
95 1 17 VAL HA 1 18 LYS HA . . 4.580 4.398 4.334 4.479 . 0 0 "[ . 1 . 2]" 1
96 1 17 VAL HB 1 18 LYS H . . 4.410 3.848 2.784 4.392 . 0 0 "[ . 1 . 2]" 1
97 1 17 VAL QG 1 18 LYS H . . 4.040 2.831 1.951 3.723 . 0 0 "[ . 1 . 2]" 1
98 1 17 VAL QG 1 19 LEU H . . 4.680 2.720 1.830 3.896 . 0 0 "[ . 1 . 2]" 1
99 1 17 VAL MG1 1 18 LYS H . . 4.780 3.446 1.987 4.180 . 0 0 "[ . 1 . 2]" 1
100 1 17 VAL MG2 1 18 LYS H . . 4.780 3.539 1.958 4.202 . 0 0 "[ . 1 . 2]" 1
101 1 18 LYS H 1 18 LYS QB . . 3.630 2.556 2.122 3.106 . 0 0 "[ . 1 . 2]" 1
102 1 18 LYS H 1 18 LYS QD . . 3.800 2.930 1.868 3.797 . 0 0 "[ . 1 . 2]" 1
103 1 18 LYS H 1 18 LYS QG . . 3.910 2.818 1.890 4.011 0.101 19 0 "[ . 1 . 2]" 1
104 1 18 LYS HA 1 19 LEU H . . 3.340 2.798 2.214 3.491 0.151 13 0 "[ . 1 . 2]" 1
105 1 19 LEU H 1 19 LEU QB . . 3.620 2.424 2.203 3.038 . 0 0 "[ . 1 . 2]" 1
106 1 19 LEU H 1 19 LEU MD1 . . 5.120 3.556 1.719 4.328 . 0 0 "[ . 1 . 2]" 1
107 1 19 LEU H 1 19 LEU QD . . 4.420 2.974 1.633 3.863 . 0 0 "[ . 1 . 2]" 1
108 1 19 LEU H 1 19 LEU MD2 . . 5.120 3.609 1.822 4.345 . 0 0 "[ . 1 . 2]" 1
109 1 19 LEU HA 1 19 LEU HG . . 4.250 3.177 2.322 4.270 0.020 13 0 "[ . 1 . 2]" 1
110 1 19 LEU HA 1 20 LEU H . . 3.410 2.199 2.140 2.296 . 0 0 "[ . 1 . 2]" 1
111 1 19 LEU QD 1 20 LEU H . . 5.440 3.251 2.189 4.059 . 0 0 "[ . 1 . 2]" 1
112 1 20 LEU H 1 20 LEU MD1 . . 4.560 3.590 3.034 4.303 . 0 0 "[ . 1 . 2]" 1
113 1 20 LEU H 1 20 LEU QD . . 3.950 2.949 1.823 3.503 . 0 0 "[ . 1 . 2]" 1
114 1 20 LEU H 1 20 LEU MD2 . . 4.560 3.344 1.826 4.135 . 0 0 "[ . 1 . 2]" 1
115 1 20 LEU H 1 20 LEU HG . . 2.950 2.403 1.910 2.934 . 0 0 "[ . 1 . 2]" 1
116 1 20 LEU HA 1 20 LEU MD1 . . 4.280 3.750 3.391 4.112 . 0 0 "[ . 1 . 2]" 1
117 1 20 LEU HA 1 20 LEU QD . . 3.480 3.098 2.043 3.444 . 0 0 "[ . 1 . 2]" 1
118 1 20 LEU HA 1 20 LEU MD2 . . 4.280 3.541 2.050 4.099 . 0 0 "[ . 1 . 2]" 1
119 1 20 LEU HA 1 21 GLY H . . 2.960 2.427 2.143 2.944 . 0 0 "[ . 1 . 2]" 1
120 1 20 LEU QB 1 21 GLY H . . 4.200 3.045 2.187 3.998 . 0 0 "[ . 1 . 2]" 1
121 1 20 LEU HB2 1 21 GLY H . . 4.910 3.330 2.203 4.465 . 0 0 "[ . 1 . 2]" 1
122 1 20 LEU HB3 1 21 GLY H . . 4.910 3.956 2.401 4.630 . 0 0 "[ . 1 . 2]" 1
123 1 20 LEU QD 1 21 GLY H . . 4.900 3.504 2.204 4.578 . 0 0 "[ . 1 . 2]" 1
124 1 21 GLY H 1 22 PRO QD . . 4.700 3.884 2.180 4.380 . 0 0 "[ . 1 . 2]" 1
125 1 21 GLY QA 1 22 PRO QD . . 2.760 1.972 1.851 2.113 . 0 0 "[ . 1 . 2]" 1
126 1 22 PRO HA 1 23 SER H . . 3.270 2.664 2.151 3.295 0.025 7 0 "[ . 1 . 2]" 1
127 1 22 PRO QB 1 23 SER H . . 4.080 3.224 2.216 3.776 . 0 0 "[ . 1 . 2]" 1
128 1 22 PRO QD 1 23 SER H . . 4.960 4.216 2.952 4.969 0.009 13 0 "[ . 1 . 2]" 1
129 1 22 PRO QG 1 23 SER H . . 4.800 4.001 3.281 4.753 . 0 0 "[ . 1 . 2]" 1
130 1 24 SER QB 1 25 GLU H . . 4.450 3.259 2.211 3.958 . 0 0 "[ . 1 . 2]" 1
131 1 24 SER HB2 1 25 GLU H . . 5.260 3.955 2.402 4.595 . 0 0 "[ . 1 . 2]" 1
132 1 24 SER HB3 1 25 GLU H . . 5.260 3.668 2.235 4.591 . 0 0 "[ . 1 . 2]" 1
133 1 25 GLU H 1 25 GLU HB2 . . 3.970 2.856 2.223 3.780 . 0 0 "[ . 1 . 2]" 1
134 1 25 GLU H 1 25 GLU QB . . 3.260 2.458 2.152 2.905 . 0 0 "[ . 1 . 2]" 1
135 1 25 GLU H 1 25 GLU HB3 . . 3.970 3.007 2.436 3.725 . 0 0 "[ . 1 . 2]" 1
136 1 25 GLU H 1 25 GLU HG2 . . 5.280 3.900 2.055 4.827 . 0 0 "[ . 1 . 2]" 1
137 1 25 GLU H 1 25 GLU QG . . 4.490 3.364 1.930 4.245 . 0 0 "[ . 1 . 2]" 1
138 1 25 GLU H 1 25 GLU HG3 . . 5.280 3.953 1.940 4.888 . 0 0 "[ . 1 . 2]" 1
139 1 25 GLU HA 1 26 ARG H . . 2.910 2.224 2.140 2.439 . 0 0 "[ . 1 . 2]" 1
140 1 25 GLU QB 1 26 ARG H . . 4.240 3.242 2.370 3.903 . 0 0 "[ . 1 . 2]" 1
141 1 25 GLU HG2 1 26 ARG H . . 5.500 4.086 2.360 5.029 . 0 0 "[ . 1 . 2]" 1
142 1 25 GLU HG3 1 26 ARG H . . 5.500 4.127 1.939 5.460 . 0 0 "[ . 1 . 2]" 1
143 1 26 ARG H 1 26 ARG HB2 . . 3.840 2.814 2.289 3.746 . 0 0 "[ . 1 . 2]" 1
144 1 26 ARG H 1 26 ARG QB . . 3.220 2.455 2.253 3.030 . 0 0 "[ . 1 . 2]" 1
145 1 26 ARG H 1 26 ARG HB3 . . 3.840 3.201 2.335 3.726 . 0 0 "[ . 1 . 2]" 1
146 1 26 ARG H 1 26 ARG HD2 . . 5.500 4.612 1.979 5.497 . 0 0 "[ . 1 . 2]" 1
147 1 26 ARG H 1 26 ARG HD3 . . 5.500 4.688 3.061 5.589 0.089 13 0 "[ . 1 . 2]" 1
148 1 26 ARG H 1 26 ARG HG2 . . 5.330 3.691 2.137 4.659 . 0 0 "[ . 1 . 2]" 1
149 1 26 ARG H 1 26 ARG QG . . 4.600 2.983 2.123 4.073 . 0 0 "[ . 1 . 2]" 1
150 1 26 ARG H 1 26 ARG HG3 . . 5.330 3.469 2.418 4.705 . 0 0 "[ . 1 . 2]" 1
151 1 26 ARG HA 1 26 ARG HD2 . . 5.410 4.452 3.252 5.389 . 0 0 "[ . 1 . 2]" 1
152 1 26 ARG HA 1 26 ARG QD . . 4.660 3.980 2.333 4.536 . 0 0 "[ . 1 . 2]" 1
153 1 26 ARG HA 1 26 ARG HD3 . . 5.410 4.606 2.390 5.444 0.034 1 0 "[ . 1 . 2]" 1
154 1 26 ARG HA 1 26 ARG QG . . 3.690 2.635 2.207 3.443 . 0 0 "[ . 1 . 2]" 1
155 1 26 ARG HA 1 27 ALA H . . 2.910 2.207 2.144 2.291 . 0 0 "[ . 1 . 2]" 1
156 1 26 ARG QB 1 27 ALA H . . 4.150 3.178 2.686 3.912 . 0 0 "[ . 1 . 2]" 1
157 1 26 ARG QG 1 27 ALA H . . 4.390 3.676 2.245 4.317 . 0 0 "[ . 1 . 2]" 1
158 1 26 ARG HG2 1 27 ALA H . . 5.140 4.134 2.488 5.087 . 0 0 "[ . 1 . 2]" 1
159 1 26 ARG HG3 1 27 ALA H . . 5.140 4.332 2.292 5.073 . 0 0 "[ . 1 . 2]" 1
160 1 27 ALA H 1 27 ALA MB . . 3.170 2.409 2.062 2.916 . 0 0 "[ . 1 . 2]" 1
161 1 27 ALA HA 1 28 THR H . . 3.240 2.403 2.141 2.948 . 0 0 "[ . 1 . 2]" 1
162 1 27 ALA MB 1 28 THR H . . 3.610 3.120 2.015 3.691 0.081 2 0 "[ . 1 . 2]" 1
163 1 27 ALA MB 1 29 PRO QD . . 5.350 4.575 3.104 5.033 . 0 0 "[ . 1 . 2]" 1
164 1 28 THR H 1 28 THR HB . . 3.830 3.498 2.665 3.817 . 0 0 "[ . 1 . 2]" 1
165 1 28 THR H 1 28 THR MG . . 4.120 2.808 1.867 3.841 . 0 0 "[ . 1 . 2]" 1
166 1 28 THR H 1 29 PRO HD2 . . 5.240 4.768 4.369 4.843 . 0 0 "[ . 1 . 2]" 1
167 1 28 THR H 1 29 PRO QD . . 4.600 4.221 3.563 4.367 . 0 0 "[ . 1 . 2]" 1
168 1 28 THR H 1 29 PRO HD3 . . 5.240 4.729 3.776 4.978 . 0 0 "[ . 1 . 2]" 1
169 1 28 THR HA 1 28 THR MG . . 3.630 2.406 2.203 3.198 . 0 0 "[ . 1 . 2]" 1
170 1 28 THR HA 1 29 PRO HD2 . . 3.150 2.150 1.930 2.280 . 0 0 "[ . 1 . 2]" 1
171 1 28 THR HA 1 29 PRO QD . . 2.750 1.964 1.882 2.025 . 0 0 "[ . 1 . 2]" 1
172 1 28 THR HA 1 29 PRO HD3 . . 3.150 2.315 2.254 2.634 . 0 0 "[ . 1 . 2]" 1
173 1 28 THR HA 1 29 PRO HG2 . . 5.280 4.310 4.120 4.416 . 0 0 "[ . 1 . 2]" 1
174 1 28 THR HA 1 29 PRO QG . . 4.510 3.868 3.797 3.930 . 0 0 "[ . 1 . 2]" 1
175 1 28 THR HA 1 29 PRO HG3 . . 5.280 4.380 4.321 4.460 . 0 0 "[ . 1 . 2]" 1
176 1 28 THR HB 1 29 PRO QD . . 3.690 2.904 2.217 3.728 0.038 17 0 "[ . 1 . 2]" 1
177 1 28 THR HB 1 30 ALA H . . 4.580 3.279 2.427 4.514 . 0 0 "[ . 1 . 2]" 1
178 1 28 THR MG 1 29 PRO QD . . 3.870 3.040 1.792 3.748 . 0 0 "[ . 1 . 2]" 1
179 1 28 THR MG 1 30 ALA H . . 5.500 4.102 2.153 5.273 . 0 0 "[ . 1 . 2]" 1
180 1 29 PRO QD 1 30 ALA MB . . 5.350 4.225 3.743 5.123 . 0 0 "[ . 1 . 2]" 1
181 1 31 PHE H 1 31 PHE HB2 . . 3.870 3.730 3.598 3.858 . 0 0 "[ . 1 . 2]" 1
182 1 31 PHE H 1 31 PHE QB . . 3.180 2.751 2.445 3.030 . 0 0 "[ . 1 . 2]" 1
183 1 31 PHE H 1 31 PHE HB3 . . 3.870 2.838 2.488 3.172 . 0 0 "[ . 1 . 2]" 1
184 1 31 PHE H 1 31 PHE QE . . 4.230 4.122 3.755 4.262 0.032 9 0 "[ . 1 . 2]" 1
185 1 31 PHE H 1 32 HIS H . . 4.750 4.475 4.271 4.616 . 0 0 "[ . 1 . 2]" 1
186 1 31 PHE H 1 62 MET ME . . 5.380 5.115 4.743 5.404 0.024 19 0 "[ . 1 . 2]" 1
187 1 31 PHE HA 1 32 HIS H . . 2.940 2.245 2.139 2.559 . 0 0 "[ . 1 . 2]" 1
188 1 31 PHE HA 1 32 HIS HD2 . . 4.410 3.551 2.841 4.008 . 0 0 "[ . 1 . 2]" 1
189 1 31 PHE HA 1 62 MET ME . . 4.910 4.272 3.832 4.723 . 0 0 "[ . 1 . 2]" 1
190 1 31 PHE QB 1 62 MET ME . . 4.320 2.259 1.887 2.616 . 0 0 "[ . 1 . 2]" 1
191 1 31 PHE QD 1 32 HIS H . . 4.540 3.656 3.154 4.365 . 0 0 "[ . 1 . 2]" 1
192 1 31 PHE QD 1 62 MET ME . . 5.140 2.245 1.773 3.199 . 0 0 "[ . 1 . 2]" 1
193 1 31 PHE QE 1 33 PRO HD3 . . 4.630 2.759 2.465 3.820 . 0 0 "[ . 1 . 2]" 1
194 1 31 PHE HZ 1 33 PRO HD3 . . 5.140 4.773 4.258 5.078 . 0 0 "[ . 1 . 2]" 1
195 1 31 PHE HZ 1 33 PRO QG . . 5.350 4.855 3.767 5.372 0.022 19 0 "[ . 1 . 2]" 1
196 1 31 PHE HZ 1 62 MET ME . . 4.810 4.587 3.917 4.851 0.041 19 0 "[ . 1 . 2]" 1
197 1 32 HIS H 1 32 HIS HB2 . . 3.980 3.453 2.609 3.864 . 0 0 "[ . 1 . 2]" 1
198 1 32 HIS H 1 32 HIS HB3 . . 3.980 3.341 2.752 3.864 . 0 0 "[ . 1 . 2]" 1
199 1 32 HIS H 1 32 HIS HD2 . . 4.610 2.477 1.857 3.631 . 0 0 "[ . 1 . 2]" 1
200 1 32 HIS H 1 33 PRO HD2 . . 4.940 4.539 4.383 4.678 . 0 0 "[ . 1 . 2]" 1
201 1 32 HIS H 1 33 PRO HD3 . . 5.180 4.068 3.792 4.334 . 0 0 "[ . 1 . 2]" 1
202 1 32 HIS H 1 62 MET ME . . 4.610 4.150 3.610 4.546 . 0 0 "[ . 1 . 2]" 1
203 1 32 HIS HA 1 33 PRO HD2 . . 2.910 1.923 1.914 1.950 . 0 0 "[ . 1 . 2]" 1
204 1 32 HIS HA 1 33 PRO HG2 . . 4.800 4.125 4.115 4.152 . 0 0 "[ . 1 . 2]" 1
205 1 32 HIS HA 1 33 PRO HG3 . . 4.800 4.378 4.324 4.434 . 0 0 "[ . 1 . 2]" 1
206 1 32 HIS HA 1 62 MET ME . . 5.400 5.132 4.025 5.407 0.007 1 0 "[ . 1 . 2]" 1
207 1 32 HIS QB 1 33 PRO HD2 . . 3.540 3.420 3.178 3.577 0.037 16 0 "[ . 1 . 2]" 1
208 1 32 HIS QB 1 33 PRO HD3 . . 5.340 4.275 4.163 4.369 . 0 0 "[ . 1 . 2]" 1
209 1 33 PRO HA 1 34 VAL H . . 2.870 2.416 2.233 2.550 . 0 0 "[ . 1 . 2]" 1
210 1 33 PRO HA 1 34 VAL QG . . 5.190 3.681 3.222 4.290 . 0 0 "[ . 1 . 2]" 1
211 1 33 PRO HA 1 35 CYS H . . 4.470 4.301 4.116 4.451 . 0 0 "[ . 1 . 2]" 1
212 1 33 PRO HA 1 62 MET ME . . 5.290 3.945 3.003 4.379 . 0 0 "[ . 1 . 2]" 1
213 1 33 PRO QB 1 35 CYS H . . 3.810 2.708 2.486 2.848 . 0 0 "[ . 1 . 2]" 1
214 1 33 PRO QB 1 60 ASN QB . . 3.350 2.560 2.017 3.317 . 0 0 "[ . 1 . 2]" 1
215 1 33 PRO QB 1 60 ASN QD . . 4.920 3.304 1.794 4.357 . 0 0 "[ . 1 . 2]" 1
216 1 33 PRO QB 1 61 VAL H . . 4.440 4.237 3.979 4.427 . 0 0 "[ . 1 . 2]" 1
217 1 33 PRO HB2 1 34 VAL H . . 4.000 2.585 2.260 3.105 . 0 0 "[ . 1 . 2]" 1
218 1 33 PRO HB2 1 35 CYS H . . 4.410 2.738 2.506 2.884 . 0 0 "[ . 1 . 2]" 1
219 1 33 PRO HB2 1 61 VAL H . . 5.310 4.531 4.232 4.745 . 0 0 "[ . 1 . 2]" 1
220 1 33 PRO HB3 1 34 VAL H . . 4.000 3.443 3.286 3.727 . 0 0 "[ . 1 . 2]" 1
221 1 33 PRO HB3 1 35 CYS H . . 4.410 4.277 4.138 4.417 0.007 8 0 "[ . 1 . 2]" 1
222 1 33 PRO HB3 1 61 VAL H . . 5.310 5.100 4.837 5.320 0.010 8 0 "[ . 1 . 2]" 1
223 1 33 PRO HD3 1 62 MET ME . . 4.420 3.851 2.867 4.415 . 0 0 "[ . 1 . 2]" 1
224 1 33 PRO QG 1 34 VAL H . . 5.010 4.142 3.908 4.465 . 0 0 "[ . 1 . 2]" 1
225 1 33 PRO QG 1 60 ASN QB . . 3.530 2.879 2.101 3.527 . 0 0 "[ . 1 . 2]" 1
226 1 33 PRO QG 1 60 ASN QD . . 4.130 2.748 2.003 3.935 . 0 0 "[ . 1 . 2]" 1
227 1 34 VAL H 1 34 VAL HB . . 3.690 3.135 2.433 3.694 0.004 14 0 "[ . 1 . 2]" 1
228 1 34 VAL H 1 34 VAL MG1 . . 4.000 2.708 2.243 3.776 . 0 0 "[ . 1 . 2]" 1
229 1 34 VAL H 1 34 VAL QG . . 3.060 2.108 1.894 2.442 . 0 0 "[ . 1 . 2]" 1
230 1 34 VAL H 1 34 VAL MG2 . . 4.000 2.672 1.951 3.839 . 0 0 "[ . 1 . 2]" 1
231 1 34 VAL H 1 35 CYS H . . 2.990 2.266 2.025 2.703 . 0 0 "[ . 1 . 2]" 1
232 1 34 VAL H 1 35 CYS QB . . 5.100 4.728 4.458 5.124 0.024 8 0 "[ . 1 . 2]" 1
233 1 34 VAL H 1 61 VAL H . . 5.290 5.093 4.923 5.248 . 0 0 "[ . 1 . 2]" 1
234 1 34 VAL H 1 61 VAL HB . . 4.280 4.118 3.845 4.282 0.002 10 0 "[ . 1 . 2]" 1
235 1 34 VAL H 1 61 VAL MG1 . . 4.700 4.010 3.705 4.249 . 0 0 "[ . 1 . 2]" 1
236 1 34 VAL H 1 62 MET HA . . 3.790 2.237 1.916 2.551 . 0 0 "[ . 1 . 2]" 1
237 1 34 VAL H 1 62 MET QB . . 5.340 4.230 3.848 4.555 . 0 0 "[ . 1 . 2]" 1
238 1 34 VAL HA 1 34 VAL MG1 . . 3.470 2.581 2.112 3.187 . 0 0 "[ . 1 . 2]" 1
239 1 34 VAL HA 1 34 VAL QG . . 2.970 2.163 2.015 2.346 . 0 0 "[ . 1 . 2]" 1
240 1 34 VAL HA 1 34 VAL MG2 . . 3.470 2.718 2.039 3.202 . 0 0 "[ . 1 . 2]" 1
241 1 34 VAL HA 1 35 CYS H . . 3.560 3.512 3.486 3.544 . 0 0 "[ . 1 . 2]" 1
242 1 34 VAL HB 1 35 CYS H . . 3.810 3.597 2.550 3.933 0.123 12 0 "[ . 1 . 2]" 1
243 1 34 VAL HB 1 35 CYS QB . . 5.340 4.156 3.442 5.167 . 0 0 "[ . 1 . 2]" 1
244 1 34 VAL HB 1 61 VAL MG1 . . 4.420 4.057 2.683 4.439 0.019 19 0 "[ . 1 . 2]" 1
245 1 34 VAL QG 1 35 CYS H . . 3.440 2.140 1.855 3.231 . 0 0 "[ . 1 . 2]" 1
246 1 34 VAL QG 1 35 CYS QB . . 4.070 2.632 2.163 3.633 . 0 0 "[ . 1 . 2]" 1
247 1 34 VAL QG 1 61 VAL H . . 4.890 4.302 3.996 4.938 0.048 8 0 "[ . 1 . 2]" 1
248 1 34 VAL QG 1 61 VAL HB . . 3.850 2.546 2.182 3.388 . 0 0 "[ . 1 . 2]" 1
249 1 34 VAL QG 1 61 VAL MG1 . . 3.280 2.194 1.944 2.869 . 0 0 "[ . 1 . 2]" 1
250 1 34 VAL QG 1 62 MET H . . 5.030 3.827 3.426 4.254 . 0 0 "[ . 1 . 2]" 1
251 1 34 VAL QG 1 62 MET HA . . 3.840 2.831 2.067 3.455 . 0 0 "[ . 1 . 2]" 1
252 1 34 VAL QG 1 63 ASN HA . . 4.250 3.487 2.810 4.253 0.003 4 0 "[ . 1 . 2]" 1
253 1 34 VAL QG 1 64 LYS H . . 4.120 3.232 2.869 3.663 . 0 0 "[ . 1 . 2]" 1
254 1 34 VAL MG1 1 35 CYS H . . 4.280 3.246 1.879 4.094 . 0 0 "[ . 1 . 2]" 1
255 1 34 VAL MG1 1 62 MET HA . . 4.980 3.500 3.002 4.968 . 0 0 "[ . 1 . 2]" 1
256 1 34 VAL MG2 1 35 CYS H . . 4.280 2.894 1.860 4.030 . 0 0 "[ . 1 . 2]" 1
257 1 34 VAL MG2 1 62 MET HA . . 4.980 3.540 2.104 4.988 0.008 12 0 "[ . 1 . 2]" 1
258 1 35 CYS H 1 35 CYS QB . . 3.660 2.976 2.776 3.326 . 0 0 "[ . 1 . 2]" 1
259 1 35 CYS H 1 36 GLN H . . 4.700 4.359 4.317 4.375 . 0 0 "[ . 1 . 2]" 1
260 1 35 CYS H 1 60 ASN HA . . 5.100 4.869 4.315 5.027 . 0 0 "[ . 1 . 2]" 1
261 1 35 CYS H 1 61 VAL H . . 4.000 3.937 3.478 4.008 0.008 11 0 "[ . 1 . 2]" 1
262 1 35 CYS H 1 61 VAL HB . . 3.320 3.041 2.868 3.219 . 0 0 "[ . 1 . 2]" 1
263 1 35 CYS H 1 61 VAL MG1 . . 4.190 4.008 3.757 4.191 0.001 8 0 "[ . 1 . 2]" 1
264 1 35 CYS H 1 61 VAL MG2 . . 4.760 4.411 4.200 4.567 . 0 0 "[ . 1 . 2]" 1
265 1 35 CYS HA 1 36 GLN H . . 3.030 2.513 2.331 2.646 . 0 0 "[ . 1 . 2]" 1
266 1 35 CYS QB 1 36 GLN H . . 2.990 2.513 1.966 2.955 . 0 0 "[ . 1 . 2]" 1
267 1 35 CYS QB 1 36 GLN HB3 . . 5.340 5.005 4.537 5.339 . 0 0 "[ . 1 . 2]" 1
268 1 35 CYS QB 1 88 MET ME . . 4.080 3.210 2.218 4.080 0.000 2 0 "[ . 1 . 2]" 1
269 1 35 CYS HB2 1 88 MET ME . . 4.800 3.692 2.587 4.736 . 0 0 "[ . 1 . 2]" 1
270 1 35 CYS HB3 1 88 MET ME . . 4.800 3.551 2.413 4.454 . 0 0 "[ . 1 . 2]" 1
271 1 36 GLN H 1 36 GLN HB2 . . 3.460 2.866 2.630 3.043 . 0 0 "[ . 1 . 2]" 1
272 1 36 GLN H 1 36 GLN HB3 . . 3.790 2.768 2.623 2.929 . 0 0 "[ . 1 . 2]" 1
273 1 36 GLN H 1 36 GLN HG2 . . 4.870 4.569 4.501 4.753 . 0 0 "[ . 1 . 2]" 1
274 1 36 GLN H 1 36 GLN QG . . 4.200 4.100 4.044 4.150 . 0 0 "[ . 1 . 2]" 1
275 1 36 GLN H 1 36 GLN HG3 . . 4.870 4.644 4.416 4.753 . 0 0 "[ . 1 . 2]" 1
276 1 36 GLN H 1 37 VAL MG1 . . 4.390 3.996 3.808 4.334 . 0 0 "[ . 1 . 2]" 1
277 1 36 GLN H 1 61 VAL H . . 5.240 4.948 4.603 5.184 . 0 0 "[ . 1 . 2]" 1
278 1 36 GLN H 1 89 THR H . . 5.400 4.986 4.566 5.288 . 0 0 "[ . 1 . 2]" 1
279 1 36 GLN HA 1 36 GLN HG2 . . 3.870 2.877 2.523 3.804 . 0 0 "[ . 1 . 2]" 1
280 1 36 GLN HA 1 36 GLN QG . . 3.380 2.380 2.258 2.705 . 0 0 "[ . 1 . 2]" 1
281 1 36 GLN HA 1 36 GLN HG3 . . 3.870 2.583 2.308 2.828 . 0 0 "[ . 1 . 2]" 1
282 1 36 GLN HA 1 37 VAL H . . 2.870 2.148 2.139 2.171 . 0 0 "[ . 1 . 2]" 1
283 1 36 GLN HA 1 37 VAL MG1 . . 4.280 3.738 3.515 3.929 . 0 0 "[ . 1 . 2]" 1
284 1 36 GLN HA 1 37 VAL MG2 . . 4.080 3.784 3.641 3.905 . 0 0 "[ . 1 . 2]" 1
285 1 36 GLN HA 1 59 ILE H . . 5.500 5.433 4.994 5.523 0.023 14 0 "[ . 1 . 2]" 1
286 1 36 GLN HA 1 60 ASN HA . . 3.450 2.211 1.997 2.548 . 0 0 "[ . 1 . 2]" 1
287 1 36 GLN HA 1 61 VAL H . . 3.620 2.948 2.719 3.219 . 0 0 "[ . 1 . 2]" 1
288 1 36 GLN HA 1 61 VAL MG2 . . 4.080 3.868 3.521 4.089 0.009 16 0 "[ . 1 . 2]" 1
289 1 36 GLN HB2 1 36 GLN QE . . 4.390 3.868 3.325 4.159 . 0 0 "[ . 1 . 2]" 1
290 1 36 GLN HB2 1 36 GLN HE22 . . 5.080 4.588 4.126 4.914 . 0 0 "[ . 1 . 2]" 1
291 1 36 GLN HB2 1 37 VAL H . . 4.430 4.353 4.173 4.434 0.004 8 0 "[ . 1 . 2]" 1
292 1 36 GLN HB2 1 60 ASN HA . . 4.280 4.071 3.840 4.268 . 0 0 "[ . 1 . 2]" 1
293 1 36 GLN HB2 1 61 VAL H . . 5.500 5.284 4.951 5.504 0.004 8 0 "[ . 1 . 2]" 1
294 1 36 GLN HB3 1 36 GLN QE . . 4.390 3.945 3.655 4.100 . 0 0 "[ . 1 . 2]" 1
295 1 36 GLN HB3 1 37 VAL H . . 4.110 4.091 3.946 4.116 0.006 14 0 "[ . 1 . 2]" 1
296 1 36 GLN HB3 1 89 THR MG . . 3.720 3.445 3.018 3.695 . 0 0 "[ . 1 . 2]" 1
297 1 36 GLN QE 1 36 GLN QG . . 3.070 2.166 2.068 2.223 . 0 0 "[ . 1 . 2]" 1
298 1 36 GLN QE 1 58 LEU HB2 . . 4.480 4.086 3.453 4.479 . 0 0 "[ . 1 . 2]" 1
299 1 36 GLN QE 1 58 LEU MD1 . . 3.690 2.026 1.757 2.392 . 0 0 "[ . 1 . 2]" 1
300 1 36 GLN QE 1 58 LEU MD2 . . 4.000 3.664 3.279 3.990 . 0 0 "[ . 1 . 2]" 1
301 1 36 GLN QE 1 58 LEU HG . . 5.340 4.686 4.147 5.174 . 0 0 "[ . 1 . 2]" 1
302 1 36 GLN HE21 1 58 LEU HB2 . . 5.140 4.381 3.665 4.942 . 0 0 "[ . 1 . 2]" 1
303 1 36 GLN HE21 1 58 LEU MD1 . . 4.260 2.108 1.814 2.665 . 0 0 "[ . 1 . 2]" 1
304 1 36 GLN HE21 1 58 LEU MD2 . . 4.800 4.030 3.634 4.381 . 0 0 "[ . 1 . 2]" 1
305 1 36 GLN HE22 1 58 LEU HB2 . . 5.140 4.937 4.095 5.142 0.002 11 0 "[ . 1 . 2]" 1
306 1 36 GLN HE22 1 58 LEU MD1 . . 4.260 2.934 1.782 3.571 . 0 0 "[ . 1 . 2]" 1
307 1 36 GLN HE22 1 58 LEU MD2 . . 4.800 4.280 3.386 4.758 . 0 0 "[ . 1 . 2]" 1
308 1 36 GLN QG 1 37 VAL H . . 3.880 2.791 2.496 2.970 . 0 0 "[ . 1 . 2]" 1
309 1 36 GLN QG 1 37 VAL HA . . 5.010 4.090 3.631 4.373 . 0 0 "[ . 1 . 2]" 1
310 1 36 GLN QG 1 58 LEU MD1 . . 4.010 2.974 2.594 3.545 . 0 0 "[ . 1 . 2]" 1
311 1 36 GLN QG 1 60 ASN HA . . 3.860 3.024 2.638 3.763 . 0 0 "[ . 1 . 2]" 1
312 1 36 GLN QG 1 89 THR MG . . 4.320 2.872 2.307 3.525 . 0 0 "[ . 1 . 2]" 1
313 1 36 GLN HG2 1 37 VAL H . . 4.580 3.038 2.701 4.216 . 0 0 "[ . 1 . 2]" 1
314 1 36 GLN HG3 1 37 VAL H . . 4.580 3.521 2.514 4.067 . 0 0 "[ . 1 . 2]" 1
315 1 37 VAL H 1 37 VAL HB . . 3.970 3.791 3.735 3.861 . 0 0 "[ . 1 . 2]" 1
316 1 37 VAL H 1 37 VAL MG1 . . 3.350 2.850 2.645 3.038 . 0 0 "[ . 1 . 2]" 1
317 1 37 VAL H 1 37 VAL MG2 . . 3.140 2.162 1.897 2.343 . 0 0 "[ . 1 . 2]" 1
318 1 37 VAL H 1 38 ILE H . . 4.610 4.465 4.436 4.496 . 0 0 "[ . 1 . 2]" 1
319 1 37 VAL H 1 38 ILE HA . . 4.990 4.909 4.810 4.999 0.009 8 0 "[ . 1 . 2]" 1
320 1 37 VAL H 1 59 ILE H . . 4.340 4.263 3.965 4.349 0.009 12 0 "[ . 1 . 2]" 1
321 1 37 VAL H 1 59 ILE HB . . 4.800 3.865 3.536 4.116 . 0 0 "[ . 1 . 2]" 1
322 1 37 VAL H 1 59 ILE MG . . 4.930 3.662 3.428 3.885 . 0 0 "[ . 1 . 2]" 1
323 1 37 VAL H 1 60 ASN H . . 5.470 4.900 4.680 5.158 . 0 0 "[ . 1 . 2]" 1
324 1 37 VAL H 1 60 ASN HA . . 4.110 2.977 2.648 3.306 . 0 0 "[ . 1 . 2]" 1
325 1 37 VAL H 1 61 VAL H . . 3.560 3.200 2.894 3.526 . 0 0 "[ . 1 . 2]" 1
326 1 37 VAL H 1 61 VAL MG2 . . 4.080 3.273 2.943 3.508 . 0 0 "[ . 1 . 2]" 1
327 1 37 VAL H 1 86 VAL MG2 . . 5.500 5.332 5.130 5.467 . 0 0 "[ . 1 . 2]" 1
328 1 37 VAL H 1 89 THR H . . 5.500 4.764 4.493 5.011 . 0 0 "[ . 1 . 2]" 1
329 1 37 VAL HA 1 37 VAL MG1 . . 3.190 2.330 2.220 2.472 . 0 0 "[ . 1 . 2]" 1
330 1 37 VAL HA 1 38 ILE H . . 2.940 2.496 2.426 2.579 . 0 0 "[ . 1 . 2]" 1
331 1 37 VAL HA 1 38 ILE HB . . 5.140 4.118 4.079 4.170 . 0 0 "[ . 1 . 2]" 1
332 1 37 VAL HA 1 38 ILE MG . . 4.800 4.305 4.100 4.483 . 0 0 "[ . 1 . 2]" 1
333 1 37 VAL HA 1 86 VAL HB . . 4.690 4.526 4.345 4.649 . 0 0 "[ . 1 . 2]" 1
334 1 37 VAL HA 1 88 MET HA . . 3.670 2.669 2.317 2.938 . 0 0 "[ . 1 . 2]" 1
335 1 37 VAL HA 1 89 THR H . . 3.450 2.180 1.945 2.466 . 0 0 "[ . 1 . 2]" 1
336 1 37 VAL HA 1 89 THR MG . . 3.630 2.353 1.971 2.928 . 0 0 "[ . 1 . 2]" 1
337 1 37 VAL HB 1 38 ILE H . . 3.100 2.201 2.055 2.330 . 0 0 "[ . 1 . 2]" 1
338 1 37 VAL HB 1 38 ILE HB . . 5.100 5.002 4.877 5.079 . 0 0 "[ . 1 . 2]" 1
339 1 37 VAL HB 1 38 ILE MG . . 4.970 4.228 4.116 4.294 . 0 0 "[ . 1 . 2]" 1
340 1 37 VAL HB 1 86 VAL HA . . 4.410 4.120 3.826 4.285 . 0 0 "[ . 1 . 2]" 1
341 1 37 VAL HB 1 86 VAL MG1 . . 3.930 3.749 3.572 3.935 0.005 13 0 "[ . 1 . 2]" 1
342 1 37 VAL HB 1 86 VAL MG2 . . 3.560 2.830 2.627 3.093 . 0 0 "[ . 1 . 2]" 1
343 1 37 VAL HB 1 87 LYS H . . 3.930 3.028 2.385 3.366 . 0 0 "[ . 1 . 2]" 1
344 1 37 VAL HB 1 88 MET HA . . 4.800 3.482 3.216 3.819 . 0 0 "[ . 1 . 2]" 1
345 1 37 VAL MG1 1 38 ILE H . . 3.870 3.631 3.531 3.692 . 0 0 "[ . 1 . 2]" 1
346 1 37 VAL MG1 1 70 TRP HH2 . . 4.550 4.384 4.081 4.562 0.012 8 0 "[ . 1 . 2]" 1
347 1 37 VAL MG1 1 86 VAL HB . . 3.760 3.403 3.252 3.491 . 0 0 "[ . 1 . 2]" 1
348 1 37 VAL MG1 1 86 VAL MG1 . . 4.430 4.160 4.009 4.292 . 0 0 "[ . 1 . 2]" 1
349 1 37 VAL MG1 1 87 LYS H . . 4.860 4.286 3.691 4.576 . 0 0 "[ . 1 . 2]" 1
350 1 37 VAL MG1 1 88 MET H . . 5.180 3.478 2.882 4.116 . 0 0 "[ . 1 . 2]" 1
351 1 37 VAL MG1 1 88 MET HA . . 3.060 2.157 1.944 2.519 . 0 0 "[ . 1 . 2]" 1
352 1 37 VAL MG1 1 88 MET ME . . 3.810 3.164 2.161 3.812 0.002 7 0 "[ . 1 . 2]" 1
353 1 37 VAL MG1 1 88 MET HG2 . . 4.410 2.804 2.037 4.211 . 0 0 "[ . 1 . 2]" 1
354 1 37 VAL MG1 1 88 MET QG . . 3.720 2.562 2.006 2.973 . 0 0 "[ . 1 . 2]" 1
355 1 37 VAL MG1 1 88 MET HG3 . . 4.410 3.482 2.527 4.409 . 0 0 "[ . 1 . 2]" 1
356 1 37 VAL MG2 1 38 ILE H . . 4.080 3.210 2.924 3.424 . 0 0 "[ . 1 . 2]" 1
357 1 37 VAL MG2 1 38 ILE HA . . 4.580 3.696 3.404 3.949 . 0 0 "[ . 1 . 2]" 1
358 1 37 VAL MG2 1 59 ILE H . . 4.150 3.982 3.771 4.125 . 0 0 "[ . 1 . 2]" 1
359 1 37 VAL MG2 1 59 ILE HA . . 4.800 4.468 4.237 4.572 . 0 0 "[ . 1 . 2]" 1
360 1 37 VAL MG2 1 59 ILE HB . . 3.100 2.320 2.114 2.555 . 0 0 "[ . 1 . 2]" 1
361 1 37 VAL MG2 1 59 ILE MD . . 3.420 3.083 2.726 3.327 . 0 0 "[ . 1 . 2]" 1
362 1 37 VAL MG2 1 59 ILE MG . . 3.500 2.112 1.900 2.324 . 0 0 "[ . 1 . 2]" 1
363 1 37 VAL MG2 1 60 ASN HA . . 4.710 3.791 3.484 4.084 . 0 0 "[ . 1 . 2]" 1
364 1 37 VAL MG2 1 61 VAL H . . 4.000 3.044 2.850 3.347 . 0 0 "[ . 1 . 2]" 1
365 1 37 VAL MG2 1 81 PHE QD . . 5.150 4.926 4.812 5.039 . 0 0 "[ . 1 . 2]" 1
366 1 37 VAL MG2 1 81 PHE QE . . 5.140 3.580 3.467 3.710 . 0 0 "[ . 1 . 2]" 1
367 1 37 VAL MG2 1 81 PHE HZ . . 3.930 3.635 3.462 3.874 . 0 0 "[ . 1 . 2]" 1
368 1 37 VAL MG2 1 83 SER HA . . 5.460 5.146 4.998 5.298 . 0 0 "[ . 1 . 2]" 1
369 1 37 VAL MG2 1 86 VAL H . . 5.400 5.139 4.985 5.279 . 0 0 "[ . 1 . 2]" 1
370 1 37 VAL MG2 1 86 VAL HA . . 4.850 4.056 3.899 4.161 . 0 0 "[ . 1 . 2]" 1
371 1 37 VAL MG2 1 86 VAL HB . . 3.400 2.009 1.930 2.118 . 0 0 "[ . 1 . 2]" 1
372 1 37 VAL MG2 1 86 VAL MG2 . . 3.070 2.249 1.958 2.513 . 0 0 "[ . 1 . 2]" 1
373 1 38 ILE H 1 38 ILE HB . . 3.330 2.889 2.729 3.046 . 0 0 "[ . 1 . 2]" 1
374 1 38 ILE H 1 38 ILE MD . . 4.850 4.571 4.241 4.726 . 0 0 "[ . 1 . 2]" 1
375 1 38 ILE H 1 38 ILE QG . . 4.580 4.145 4.100 4.204 . 0 0 "[ . 1 . 2]" 1
376 1 38 ILE H 1 38 ILE MG . . 3.310 2.438 2.379 2.510 . 0 0 "[ . 1 . 2]" 1
377 1 38 ILE H 1 39 ALA H . . 4.610 4.410 4.342 4.456 . 0 0 "[ . 1 . 2]" 1
378 1 38 ILE H 1 39 ALA HA . . 5.100 4.974 4.904 5.039 . 0 0 "[ . 1 . 2]" 1
379 1 38 ILE H 1 86 VAL HA . . 4.230 4.076 3.899 4.223 . 0 0 "[ . 1 . 2]" 1
380 1 38 ILE H 1 86 VAL HB . . 3.590 3.243 3.038 3.454 . 0 0 "[ . 1 . 2]" 1
381 1 38 ILE H 1 86 VAL MG1 . . 4.700 4.387 4.183 4.585 . 0 0 "[ . 1 . 2]" 1
382 1 38 ILE H 1 86 VAL MG2 . . 4.550 4.397 4.303 4.552 0.002 9 0 "[ . 1 . 2]" 1
383 1 38 ILE H 1 87 LYS H . . 3.350 2.481 2.050 2.797 . 0 0 "[ . 1 . 2]" 1
384 1 38 ILE H 1 88 MET HA . . 4.230 4.066 3.840 4.246 0.016 16 0 "[ . 1 . 2]" 1
385 1 38 ILE H 1 89 THR H . . 4.390 3.814 3.472 4.336 . 0 0 "[ . 1 . 2]" 1
386 1 38 ILE H 1 89 THR MG . . 3.400 2.903 2.524 3.292 . 0 0 "[ . 1 . 2]" 1
387 1 38 ILE HA 1 38 ILE MD . . 3.810 3.361 2.409 3.651 . 0 0 "[ . 1 . 2]" 1
388 1 38 ILE HA 1 38 ILE HG12 . . 4.000 3.189 2.989 3.602 . 0 0 "[ . 1 . 2]" 1
389 1 38 ILE HA 1 38 ILE QG . . 3.420 2.123 2.032 2.368 . 0 0 "[ . 1 . 2]" 1
390 1 38 ILE HA 1 38 ILE HG13 . . 4.000 2.156 2.061 2.401 . 0 0 "[ . 1 . 2]" 1
391 1 38 ILE HA 1 38 ILE MG . . 3.470 3.162 3.143 3.183 . 0 0 "[ . 1 . 2]" 1
392 1 38 ILE HA 1 39 ALA H . . 2.760 2.216 2.164 2.289 . 0 0 "[ . 1 . 2]" 1
393 1 38 ILE HA 1 39 ALA MB . . 4.180 4.013 3.939 4.044 . 0 0 "[ . 1 . 2]" 1
394 1 38 ILE HA 1 57 GLN H . . 5.500 4.567 4.179 4.919 . 0 0 "[ . 1 . 2]" 1
395 1 38 ILE HA 1 59 ILE MD . . 4.410 3.852 3.598 4.205 . 0 0 "[ . 1 . 2]" 1
396 1 38 ILE HB 1 38 ILE MD . . 3.270 2.156 2.083 2.272 . 0 0 "[ . 1 . 2]" 1
397 1 38 ILE HB 1 39 ALA H . . 4.410 4.214 4.032 4.354 . 0 0 "[ . 1 . 2]" 1
398 1 38 ILE HB 1 87 LYS H . . 4.800 4.669 4.322 4.811 0.011 13 0 "[ . 1 . 2]" 1
399 1 38 ILE HB 1 87 LYS QB . . 5.020 4.858 4.539 5.051 0.031 16 0 "[ . 1 . 2]" 1
400 1 38 ILE HB 1 89 THR HB . . 5.140 4.485 4.153 5.024 . 0 0 "[ . 1 . 2]" 1
401 1 38 ILE HB 1 89 THR MG . . 3.470 2.088 1.956 2.424 . 0 0 "[ . 1 . 2]" 1
402 1 38 ILE MD 1 39 ALA H . . 4.800 4.022 3.303 4.394 . 0 0 "[ . 1 . 2]" 1
403 1 38 ILE MD 1 56 GLY H . . 5.290 4.494 3.963 4.817 . 0 0 "[ . 1 . 2]" 1
404 1 38 ILE MD 1 56 GLY HA2 . . 3.810 2.677 2.088 2.950 . 0 0 "[ . 1 . 2]" 1
405 1 38 ILE MD 1 56 GLY HA3 . . 4.170 3.605 3.186 3.806 . 0 0 "[ . 1 . 2]" 1
406 1 38 ILE MD 1 57 GLN H . . 5.500 4.542 3.694 5.081 . 0 0 "[ . 1 . 2]" 1
407 1 38 ILE MD 1 89 THR HA . . 5.310 4.607 4.141 5.120 . 0 0 "[ . 1 . 2]" 1
408 1 38 ILE MD 1 89 THR HB . . 4.810 4.478 4.113 4.761 . 0 0 "[ . 1 . 2]" 1
409 1 38 ILE MD 1 89 THR MG . . 3.090 2.680 2.391 2.939 . 0 0 "[ . 1 . 2]" 1
410 1 38 ILE QG 1 39 ALA H . . 3.430 2.404 2.030 2.725 . 0 0 "[ . 1 . 2]" 1
411 1 38 ILE QG 1 56 GLY H . . 4.480 3.218 2.856 3.489 . 0 0 "[ . 1 . 2]" 1
412 1 38 ILE QG 1 56 GLY HA2 . . 4.000 1.942 1.881 2.000 . 0 0 "[ . 1 . 2]" 1
413 1 38 ILE QG 1 56 GLY HA3 . . 4.690 3.477 3.293 3.597 . 0 0 "[ . 1 . 2]" 1
414 1 38 ILE QG 1 57 GLN H . . 4.960 3.445 2.968 3.808 . 0 0 "[ . 1 . 2]" 1
415 1 38 ILE HG12 1 39 ALA H . . 3.910 3.013 2.472 3.852 . 0 0 "[ . 1 . 2]" 1
416 1 38 ILE HG12 1 56 GLY HA2 . . 4.580 2.034 1.983 2.300 . 0 0 "[ . 1 . 2]" 1
417 1 38 ILE HG13 1 39 ALA H . . 3.910 2.590 2.039 2.945 . 0 0 "[ . 1 . 2]" 1
418 1 38 ILE HG13 1 56 GLY HA2 . . 4.580 2.691 1.996 3.002 . 0 0 "[ . 1 . 2]" 1
419 1 38 ILE MG 1 39 ALA H . . 3.470 3.405 3.249 3.483 0.013 8 0 "[ . 1 . 2]" 1
420 1 38 ILE MG 1 39 ALA HA . . 4.810 4.054 3.945 4.176 . 0 0 "[ . 1 . 2]" 1
421 1 38 ILE MG 1 39 ALA MB . . 4.430 4.213 4.130 4.319 . 0 0 "[ . 1 . 2]" 1
422 1 38 ILE MG 1 40 MET H . . 5.500 4.263 3.650 4.542 . 0 0 "[ . 1 . 2]" 1
423 1 38 ILE MG 1 40 MET HA . . 5.000 3.629 3.239 3.869 . 0 0 "[ . 1 . 2]" 1
424 1 38 ILE MG 1 40 MET ME . . 5.500 5.442 5.166 5.510 0.010 3 0 "[ . 1 . 2]" 1
425 1 38 ILE MG 1 40 MET QG . . 5.030 3.251 2.849 3.394 . 0 0 "[ . 1 . 2]" 1
426 1 38 ILE MG 1 56 GLY H . . 4.400 4.195 3.972 4.386 . 0 0 "[ . 1 . 2]" 1
427 1 38 ILE MG 1 56 GLY HA2 . . 3.630 3.642 3.607 3.672 0.042 16 0 "[ . 1 . 2]" 1
428 1 38 ILE MG 1 56 GLY HA3 . . 5.100 5.013 4.943 5.078 . 0 0 "[ . 1 . 2]" 1
429 1 38 ILE MG 1 57 GLN H . . 5.500 5.142 4.828 5.398 . 0 0 "[ . 1 . 2]" 1
430 1 38 ILE MG 1 86 VAL HA . . 5.110 3.908 3.658 4.157 . 0 0 "[ . 1 . 2]" 1
431 1 38 ILE MG 1 87 LYS H . . 4.280 2.634 2.420 2.856 . 0 0 "[ . 1 . 2]" 1
432 1 38 ILE MG 1 87 LYS QB . . 3.700 2.540 2.159 2.965 . 0 0 "[ . 1 . 2]" 1
433 1 38 ILE MG 1 87 LYS HD2 . . 5.500 4.821 3.383 5.505 0.005 20 0 "[ . 1 . 2]" 1
434 1 38 ILE MG 1 87 LYS HD3 . . 5.500 4.782 2.037 5.506 0.006 11 0 "[ . 1 . 2]" 1
435 1 38 ILE MG 1 87 LYS HG2 . . 5.500 4.204 1.937 5.248 . 0 0 "[ . 1 . 2]" 1
436 1 38 ILE MG 1 87 LYS QG . . 4.780 3.839 1.925 4.521 . 0 0 "[ . 1 . 2]" 1
437 1 38 ILE MG 1 87 LYS HG3 . . 5.500 4.600 3.366 5.310 . 0 0 "[ . 1 . 2]" 1
438 1 38 ILE MG 1 89 THR HA . . 4.810 3.800 3.370 4.804 . 0 0 "[ . 1 . 2]" 1
439 1 38 ILE MG 1 89 THR MG . . 3.600 3.031 2.630 3.393 . 0 0 "[ . 1 . 2]" 1
440 1 39 ALA H 1 39 ALA MB . . 2.890 2.199 2.043 2.252 . 0 0 "[ . 1 . 2]" 1
441 1 39 ALA H 1 40 MET H . . 4.610 4.536 4.339 4.596 . 0 0 "[ . 1 . 2]" 1
442 1 39 ALA H 1 55 LYS HA . . 5.180 4.816 4.521 5.075 . 0 0 "[ . 1 . 2]" 1
443 1 39 ALA H 1 56 GLY H . . 4.070 3.196 2.887 3.362 . 0 0 "[ . 1 . 2]" 1
444 1 39 ALA H 1 57 GLN H . . 3.970 2.815 2.505 3.124 . 0 0 "[ . 1 . 2]" 1
445 1 39 ALA H 1 57 GLN HB2 . . 5.400 4.793 4.467 5.081 . 0 0 "[ . 1 . 2]" 1
446 1 39 ALA H 1 57 GLN HB3 . . 4.460 3.971 3.542 4.316 . 0 0 "[ . 1 . 2]" 1
447 1 39 ALA H 1 59 ILE H . . 4.890 4.687 4.391 4.886 . 0 0 "[ . 1 . 2]" 1
448 1 39 ALA H 1 59 ILE MD . . 4.140 3.108 2.791 3.389 . 0 0 "[ . 1 . 2]" 1
449 1 39 ALA H 1 86 VAL HA . . 4.800 4.678 4.496 4.813 0.013 3 0 "[ . 1 . 2]" 1
450 1 39 ALA H 1 86 VAL MG1 . . 4.390 4.125 3.788 4.389 . 0 0 "[ . 1 . 2]" 1
451 1 39 ALA H 1 87 LYS H . . 5.090 5.010 4.875 5.101 0.011 14 0 "[ . 1 . 2]" 1
452 1 39 ALA HA 1 40 MET H . . 2.920 2.159 2.142 2.186 . 0 0 "[ . 1 . 2]" 1
453 1 39 ALA HA 1 40 MET QG . . 4.690 3.927 3.664 4.116 . 0 0 "[ . 1 . 2]" 1
454 1 39 ALA HA 1 41 TYR H . . 4.070 3.826 3.676 3.973 . 0 0 "[ . 1 . 2]" 1
455 1 39 ALA HA 1 53 PHE HZ . . 5.100 4.820 4.631 5.060 . 0 0 "[ . 1 . 2]" 1
456 1 39 ALA HA 1 55 LYS HA . . 5.340 4.706 4.393 4.906 . 0 0 "[ . 1 . 2]" 1
457 1 39 ALA HA 1 56 GLY H . . 4.490 4.205 3.974 4.379 . 0 0 "[ . 1 . 2]" 1
458 1 39 ALA HA 1 59 ILE MD . . 4.410 3.232 3.022 3.565 . 0 0 "[ . 1 . 2]" 1
459 1 39 ALA HA 1 86 VAL HA . . 3.270 2.667 2.463 2.819 . 0 0 "[ . 1 . 2]" 1
460 1 39 ALA HA 1 86 VAL HB . . 4.080 3.981 3.775 4.088 0.008 19 0 "[ . 1 . 2]" 1
461 1 39 ALA HA 1 86 VAL MG1 . . 3.110 2.496 1.980 2.826 . 0 0 "[ . 1 . 2]" 1
462 1 39 ALA HA 1 86 VAL MG2 . . 5.150 4.872 4.657 4.982 . 0 0 "[ . 1 . 2]" 1
463 1 39 ALA HA 1 87 LYS H . . 4.580 4.197 3.943 4.485 . 0 0 "[ . 1 . 2]" 1
464 1 39 ALA MB 1 40 MET H . . 3.710 3.103 2.940 3.429 . 0 0 "[ . 1 . 2]" 1
465 1 39 ALA MB 1 41 TYR H . . 3.460 3.195 3.042 3.448 . 0 0 "[ . 1 . 2]" 1
466 1 39 ALA MB 1 43 TYR H . . 4.930 3.827 3.597 4.270 . 0 0 "[ . 1 . 2]" 1
467 1 39 ALA MB 1 43 TYR HB2 . . 4.620 4.073 3.911 4.203 . 0 0 "[ . 1 . 2]" 1
468 1 39 ALA MB 1 43 TYR QD . . 5.440 5.178 5.043 5.273 . 0 0 "[ . 1 . 2]" 1
469 1 39 ALA MB 1 53 PHE HB2 . . 4.410 3.593 3.370 3.886 . 0 0 "[ . 1 . 2]" 1
470 1 39 ALA MB 1 53 PHE HB3 . . 5.150 4.669 4.431 4.946 . 0 0 "[ . 1 . 2]" 1
471 1 39 ALA MB 1 53 PHE QD . . 4.670 2.142 1.872 2.399 . 0 0 "[ . 1 . 2]" 1
472 1 39 ALA MB 1 53 PHE QE . . 3.000 2.048 1.926 2.236 . 0 0 "[ . 1 . 2]" 1
473 1 39 ALA MB 1 53 PHE HZ . . 4.060 3.944 3.775 4.069 0.009 16 0 "[ . 1 . 2]" 1
474 1 39 ALA MB 1 55 LYS H . . 4.800 4.134 3.835 4.416 . 0 0 "[ . 1 . 2]" 1
475 1 39 ALA MB 1 55 LYS HA . . 3.060 2.396 2.005 2.570 . 0 0 "[ . 1 . 2]" 1
476 1 39 ALA MB 1 56 GLY H . . 3.230 1.997 1.872 2.324 . 0 0 "[ . 1 . 2]" 1
477 1 39 ALA MB 1 56 GLY HA2 . . 4.800 3.629 3.417 3.905 . 0 0 "[ . 1 . 2]" 1
478 1 39 ALA MB 1 56 GLY HA3 . . 4.800 4.347 4.221 4.571 . 0 0 "[ . 1 . 2]" 1
479 1 39 ALA MB 1 57 GLN H . . 3.030 1.937 1.867 2.062 . 0 0 "[ . 1 . 2]" 1
480 1 39 ALA MB 1 57 GLN HA . . 4.500 4.359 4.247 4.503 0.003 9 0 "[ . 1 . 2]" 1
481 1 39 ALA MB 1 57 GLN HB2 . . 4.080 3.165 2.918 3.427 . 0 0 "[ . 1 . 2]" 1
482 1 39 ALA MB 1 57 GLN HB3 . . 3.720 2.840 2.553 3.191 . 0 0 "[ . 1 . 2]" 1
483 1 39 ALA MB 1 57 GLN HG2 . . 5.120 4.612 4.411 4.867 . 0 0 "[ . 1 . 2]" 1
484 1 39 ALA MB 1 59 ILE MD . . 3.330 2.141 1.956 2.366 . 0 0 "[ . 1 . 2]" 1
485 1 39 ALA MB 1 86 VAL HA . . 4.410 4.288 4.118 4.412 0.002 16 0 "[ . 1 . 2]" 1
486 1 39 ALA MB 1 86 VAL MG1 . . 3.670 3.335 3.086 3.584 . 0 0 "[ . 1 . 2]" 1
487 1 40 MET H 1 40 MET HB2 . . 3.270 2.403 2.305 2.505 . 0 0 "[ . 1 . 2]" 1
488 1 40 MET H 1 40 MET ME . . 4.280 3.871 3.641 4.232 . 0 0 "[ . 1 . 2]" 1
489 1 40 MET H 1 40 MET HG2 . . 3.940 3.513 2.966 3.882 . 0 0 "[ . 1 . 2]" 1
490 1 40 MET H 1 40 MET HG3 . . 3.940 2.668 2.408 3.041 . 0 0 "[ . 1 . 2]" 1
491 1 40 MET H 1 41 TYR H . . 3.040 2.352 2.210 2.654 . 0 0 "[ . 1 . 2]" 1
492 1 40 MET H 1 41 TYR HA . . 5.270 5.009 4.904 5.241 . 0 0 "[ . 1 . 2]" 1
493 1 40 MET H 1 41 TYR HB2 . . 5.500 5.244 5.088 5.512 0.012 16 0 "[ . 1 . 2]" 1
494 1 40 MET H 1 41 TYR QD . . 4.800 4.150 3.942 4.403 . 0 0 "[ . 1 . 2]" 1
495 1 40 MET H 1 41 TYR QE . . 5.140 4.926 4.702 5.150 0.010 17 0 "[ . 1 . 2]" 1
496 1 40 MET H 1 55 LYS HA . . 5.080 4.708 4.461 4.947 . 0 0 "[ . 1 . 2]" 1
497 1 40 MET H 1 56 GLY H . . 5.270 4.767 4.637 4.894 . 0 0 "[ . 1 . 2]" 1
498 1 40 MET H 1 85 TYR HB3 . . 5.140 3.876 3.603 4.180 . 0 0 "[ . 1 . 2]" 1
499 1 40 MET H 1 86 VAL H . . 5.270 4.500 4.272 4.735 . 0 0 "[ . 1 . 2]" 1
500 1 40 MET H 1 86 VAL HA . . 3.350 2.749 2.515 2.888 . 0 0 "[ . 1 . 2]" 1
501 1 40 MET H 1 86 VAL HB . . 5.100 4.988 4.689 5.101 0.001 14 0 "[ . 1 . 2]" 1
502 1 40 MET H 1 86 VAL MG1 . . 3.860 3.599 3.274 3.806 . 0 0 "[ . 1 . 2]" 1
503 1 40 MET H 1 87 LYS H . . 4.530 4.355 3.811 4.533 0.003 14 0 "[ . 1 . 2]" 1
504 1 40 MET HA 1 40 MET ME . . 4.690 4.351 4.130 4.424 . 0 0 "[ . 1 . 2]" 1
505 1 40 MET HA 1 40 MET QG . . 3.370 2.320 2.209 2.515 . 0 0 "[ . 1 . 2]" 1
506 1 40 MET HA 1 41 TYR QD . . 5.140 4.835 4.707 4.916 . 0 0 "[ . 1 . 2]" 1
507 1 40 MET HA 1 41 TYR QE . . 5.460 5.138 4.955 5.253 . 0 0 "[ . 1 . 2]" 1
508 1 40 MET HA 1 55 LYS HA . . 5.500 4.585 4.321 4.861 . 0 0 "[ . 1 . 2]" 1
509 1 40 MET HA 1 55 LYS HG2 . . 4.960 4.829 3.944 4.962 0.002 6 0 "[ . 1 . 2]" 1
510 1 40 MET HA 1 55 LYS HG3 . . 4.170 3.347 3.144 3.514 . 0 0 "[ . 1 . 2]" 1
511 1 40 MET HA 1 56 GLY H . . 4.970 4.468 4.264 4.686 . 0 0 "[ . 1 . 2]" 1
512 1 40 MET HA 1 86 VAL HA . . 4.870 4.775 4.564 4.878 0.008 7 0 "[ . 1 . 2]" 1
513 1 40 MET HB2 1 40 MET ME . . 3.460 2.048 1.975 2.247 . 0 0 "[ . 1 . 2]" 1
514 1 40 MET HB2 1 41 TYR H . . 3.670 2.809 2.640 3.038 . 0 0 "[ . 1 . 2]" 1
515 1 40 MET HB2 1 41 TYR QD . . 3.720 2.989 2.834 3.250 . 0 0 "[ . 1 . 2]" 1
516 1 40 MET HB2 1 41 TYR QE . . 3.760 2.909 2.681 3.157 . 0 0 "[ . 1 . 2]" 1
517 1 40 MET HB2 1 86 VAL HA . . 4.280 4.044 3.730 4.259 . 0 0 "[ . 1 . 2]" 1
518 1 40 MET HB3 1 41 TYR QE . . 4.190 3.283 3.085 3.456 . 0 0 "[ . 1 . 2]" 1
519 1 40 MET ME 1 41 TYR QD . . 4.800 3.478 3.390 3.597 . 0 0 "[ . 1 . 2]" 1
520 1 40 MET ME 1 41 TYR QE . . 3.930 1.996 1.876 2.155 . 0 0 "[ . 1 . 2]" 1
521 1 40 MET ME 1 85 TYR H . . 5.080 4.297 3.891 4.774 . 0 0 "[ . 1 . 2]" 1
522 1 40 MET ME 1 85 TYR HA . . 4.580 2.634 2.328 3.033 . 0 0 "[ . 1 . 2]" 1
523 1 40 MET ME 1 85 TYR QE . . 5.500 5.495 5.428 5.513 0.013 3 0 "[ . 1 . 2]" 1
524 1 40 MET ME 1 86 VAL H . . 4.060 3.321 2.805 4.076 0.016 3 0 "[ . 1 . 2]" 1
525 1 40 MET ME 1 86 VAL HA . . 5.140 4.149 3.792 4.696 . 0 0 "[ . 1 . 2]" 1
526 1 40 MET QG 1 41 TYR H . . 4.510 4.161 4.034 4.351 . 0 0 "[ . 1 . 2]" 1
527 1 40 MET QG 1 86 VAL H . . 5.340 3.727 3.446 4.114 . 0 0 "[ . 1 . 2]" 1
528 1 40 MET QG 1 86 VAL HA . . 3.530 2.590 2.466 2.774 . 0 0 "[ . 1 . 2]" 1
529 1 40 MET QG 1 87 LYS H . . 3.690 3.023 2.731 3.519 . 0 0 "[ . 1 . 2]" 1
530 1 40 MET HG2 1 86 VAL HA . . 4.170 4.014 3.773 4.170 . 0 0 "[ . 1 . 2]" 1
531 1 40 MET HG2 1 87 LYS H . . 4.200 3.866 3.411 4.197 . 0 0 "[ . 1 . 2]" 1
532 1 40 MET HG3 1 86 VAL HA . . 4.170 2.624 2.487 2.822 . 0 0 "[ . 1 . 2]" 1
533 1 40 MET HG3 1 87 LYS H . . 4.200 3.164 2.853 3.781 . 0 0 "[ . 1 . 2]" 1
534 1 41 TYR H 1 41 TYR HB2 . . 3.690 3.046 2.985 3.141 . 0 0 "[ . 1 . 2]" 1
535 1 41 TYR H 1 41 TYR QD . . 3.810 2.874 2.691 3.233 . 0 0 "[ . 1 . 2]" 1
536 1 41 TYR H 1 41 TYR QE . . 4.800 4.485 4.371 4.741 . 0 0 "[ . 1 . 2]" 1
537 1 41 TYR H 1 42 ASP H . . 4.800 4.396 4.282 4.445 . 0 0 "[ . 1 . 2]" 1
538 1 41 TYR H 1 43 TYR HB2 . . 5.500 4.855 4.694 5.254 . 0 0 "[ . 1 . 2]" 1
539 1 41 TYR H 1 55 LYS HA . . 4.410 3.911 3.703 4.078 . 0 0 "[ . 1 . 2]" 1
540 1 41 TYR H 1 55 LYS HB2 . . 4.800 4.498 4.168 4.803 0.003 19 0 "[ . 1 . 2]" 1
541 1 41 TYR H 1 55 LYS HG3 . . 4.800 4.337 3.291 4.603 . 0 0 "[ . 1 . 2]" 1
542 1 41 TYR H 1 56 GLY H . . 5.080 5.010 4.797 5.087 0.007 14 0 "[ . 1 . 2]" 1
543 1 41 TYR H 1 85 TYR HB3 . . 4.700 3.859 3.733 4.039 . 0 0 "[ . 1 . 2]" 1
544 1 41 TYR H 1 86 VAL HA . . 5.290 5.002 4.905 5.150 . 0 0 "[ . 1 . 2]" 1
545 1 41 TYR H 1 86 VAL MG1 . . 5.240 5.031 4.807 5.197 . 0 0 "[ . 1 . 2]" 1
546 1 41 TYR HA 1 55 LYS HA . . 4.780 3.799 3.607 3.945 . 0 0 "[ . 1 . 2]" 1
547 1 41 TYR HA 1 55 LYS HB2 . . 4.330 2.604 2.322 3.057 . 0 0 "[ . 1 . 2]" 1
548 1 41 TYR HA 1 55 LYS HB3 . . 4.760 4.305 4.036 4.585 . 0 0 "[ . 1 . 2]" 1
549 1 41 TYR HB2 1 42 ASP H . . 4.000 3.516 3.300 3.750 . 0 0 "[ . 1 . 2]" 1
550 1 41 TYR HB2 1 85 TYR QD . . 3.500 2.817 2.668 3.095 . 0 0 "[ . 1 . 2]" 1
551 1 41 TYR HB2 1 85 TYR QE . . 3.720 2.707 2.340 2.927 . 0 0 "[ . 1 . 2]" 1
552 1 41 TYR HB3 1 42 ASP H . . 3.560 2.894 2.709 3.162 . 0 0 "[ . 1 . 2]" 1
553 1 41 TYR HB3 1 85 TYR QD . . 4.840 4.541 4.390 4.772 . 0 0 "[ . 1 . 2]" 1
554 1 41 TYR HB3 1 85 TYR QE . . 4.410 4.054 3.738 4.303 . 0 0 "[ . 1 . 2]" 1
555 1 41 TYR QD 1 42 ASP H . . 4.610 4.468 4.371 4.612 0.002 15 0 "[ . 1 . 2]" 1
556 1 41 TYR QD 1 85 TYR H . . 5.500 5.424 5.270 5.503 0.003 6 0 "[ . 1 . 2]" 1
557 1 41 TYR QD 1 85 TYR HA . . 3.220 2.711 2.556 2.895 . 0 0 "[ . 1 . 2]" 1
558 1 41 TYR QD 1 85 TYR HB3 . . 4.280 3.601 3.298 3.810 . 0 0 "[ . 1 . 2]" 1
559 1 41 TYR QE 1 85 TYR H . . 5.290 5.226 4.955 5.293 0.003 1 0 "[ . 1 . 2]" 1
560 1 41 TYR QE 1 85 TYR HA . . 3.470 2.683 2.323 2.876 . 0 0 "[ . 1 . 2]" 1
561 1 41 TYR QE 1 85 TYR QD . . 4.410 4.203 4.003 4.352 . 0 0 "[ . 1 . 2]" 1
562 1 42 ASP H 1 42 ASP HB2 . . 3.810 3.299 2.190 3.592 . 0 0 "[ . 1 . 2]" 1
563 1 42 ASP H 1 42 ASP QB . . 3.200 2.621 2.133 2.755 . 0 0 "[ . 1 . 2]" 1
564 1 42 ASP H 1 42 ASP HB3 . . 3.810 2.910 2.232 3.584 . 0 0 "[ . 1 . 2]" 1
565 1 42 ASP H 1 43 TYR H . . 4.550 4.316 4.258 4.554 0.004 8 0 "[ . 1 . 2]" 1
566 1 42 ASP H 1 54 SER HA . . 4.800 4.643 4.424 4.799 . 0 0 "[ . 1 . 2]" 1
567 1 42 ASP H 1 55 LYS H . . 4.280 3.483 3.145 3.719 . 0 0 "[ . 1 . 2]" 1
568 1 42 ASP H 1 55 LYS HA . . 5.140 4.202 3.815 4.555 . 0 0 "[ . 1 . 2]" 1
569 1 42 ASP H 1 55 LYS HB2 . . 4.420 2.728 2.418 3.022 . 0 0 "[ . 1 . 2]" 1
570 1 42 ASP H 1 55 LYS HB3 . . 4.190 4.135 3.955 4.197 0.007 1 0 "[ . 1 . 2]" 1
571 1 42 ASP H 1 85 TYR QE . . 5.500 5.493 5.353 5.512 0.012 15 0 "[ . 1 . 2]" 1
572 1 42 ASP HA 1 55 LYS HA . . 5.090 3.652 3.406 3.908 . 0 0 "[ . 1 . 2]" 1
573 1 42 ASP HA 1 55 LYS HB3 . . 5.200 4.486 4.223 4.798 . 0 0 "[ . 1 . 2]" 1
574 1 42 ASP QB 1 43 TYR H . . 3.640 3.619 3.503 3.667 0.027 20 0 "[ . 1 . 2]" 1
575 1 42 ASP QB 1 43 TYR HA . . 4.970 4.586 4.377 4.858 . 0 0 "[ . 1 . 2]" 1
576 1 42 ASP QB 1 54 SER HA . . 3.870 2.714 2.448 3.409 . 0 0 "[ . 1 . 2]" 1
577 1 42 ASP QB 1 55 LYS H . . 4.040 2.602 2.276 3.299 . 0 0 "[ . 1 . 2]" 1
578 1 42 ASP HB2 1 43 TYR H . . 4.450 3.978 3.715 4.400 . 0 0 "[ . 1 . 2]" 1
579 1 42 ASP HB2 1 54 SER HA . . 4.580 3.335 2.573 4.310 . 0 0 "[ . 1 . 2]" 1
580 1 42 ASP HB2 1 55 LYS H . . 4.610 3.729 2.298 4.330 . 0 0 "[ . 1 . 2]" 1
581 1 42 ASP HB3 1 43 TYR H . . 4.450 4.251 3.902 4.450 0.000 2 0 "[ . 1 . 2]" 1
582 1 42 ASP HB3 1 54 SER HA . . 4.580 3.023 2.504 4.095 . 0 0 "[ . 1 . 2]" 1
583 1 42 ASP HB3 1 55 LYS H . . 4.610 2.791 2.309 4.280 . 0 0 "[ . 1 . 2]" 1
584 1 43 TYR H 1 43 TYR HB2 . . 3.620 2.532 2.425 2.736 . 0 0 "[ . 1 . 2]" 1
585 1 43 TYR H 1 43 TYR HB3 . . 3.410 2.726 2.660 2.855 . 0 0 "[ . 1 . 2]" 1
586 1 43 TYR H 1 44 ALA H . . 4.600 4.513 4.458 4.577 . 0 0 "[ . 1 . 2]" 1
587 1 43 TYR H 1 53 PHE QD . . 4.900 3.090 2.785 3.452 . 0 0 "[ . 1 . 2]" 1
588 1 43 TYR H 1 53 PHE QE . . 3.770 3.377 3.106 3.776 0.006 20 0 "[ . 1 . 2]" 1
589 1 43 TYR H 1 53 PHE HZ . . 5.140 4.760 4.515 5.143 0.003 8 0 "[ . 1 . 2]" 1
590 1 43 TYR H 1 54 SER HA . . 3.620 3.162 2.825 3.342 . 0 0 "[ . 1 . 2]" 1
591 1 43 TYR H 1 54 SER QB . . 5.340 5.082 4.659 5.262 . 0 0 "[ . 1 . 2]" 1
592 1 43 TYR H 1 55 LYS H . . 4.710 4.241 3.809 4.712 0.002 1 0 "[ . 1 . 2]" 1
593 1 43 TYR H 1 55 LYS HA . . 5.100 4.800 4.615 5.057 . 0 0 "[ . 1 . 2]" 1
594 1 43 TYR H 1 85 TYR QE . . 5.500 5.445 5.266 5.503 0.003 3 0 "[ . 1 . 2]" 1
595 1 43 TYR HA 1 43 TYR QE . . 4.960 4.602 4.561 4.636 . 0 0 "[ . 1 . 2]" 1
596 1 43 TYR HA 1 44 ALA H . . 3.090 2.167 2.148 2.219 . 0 0 "[ . 1 . 2]" 1
597 1 43 TYR HA 1 85 TYR QE . . 4.000 3.808 3.600 3.975 . 0 0 "[ . 1 . 2]" 1
598 1 43 TYR HB2 1 44 ALA H . . 4.410 4.308 4.178 4.372 . 0 0 "[ . 1 . 2]" 1
599 1 43 TYR HB2 1 53 PHE H . . 4.710 4.312 4.016 4.606 . 0 0 "[ . 1 . 2]" 1
600 1 43 TYR HB2 1 53 PHE QD . . 4.500 3.749 3.597 4.071 . 0 0 "[ . 1 . 2]" 1
601 1 43 TYR HB2 1 53 PHE QE . . 4.280 2.544 2.296 2.871 . 0 0 "[ . 1 . 2]" 1
602 1 43 TYR HB2 1 85 TYR QD . . 3.760 2.976 2.641 3.083 . 0 0 "[ . 1 . 2]" 1
603 1 43 TYR HB2 1 85 TYR QE . . 4.420 4.361 4.056 4.426 0.006 15 0 "[ . 1 . 2]" 1
604 1 43 TYR HB3 1 53 PHE H . . 3.660 2.704 2.462 2.971 . 0 0 "[ . 1 . 2]" 1
605 1 43 TYR HB3 1 53 PHE HZ . . 4.170 3.089 2.923 3.406 . 0 0 "[ . 1 . 2]" 1
606 1 43 TYR QD 1 53 PHE QD . . 4.500 4.349 4.198 4.501 0.001 4 0 "[ . 1 . 2]" 1
607 1 43 TYR QD 1 53 PHE HZ . . 3.140 2.853 2.642 3.121 . 0 0 "[ . 1 . 2]" 1
608 1 43 TYR QD 1 59 ILE MD . . 5.500 5.481 5.418 5.519 0.019 17 0 "[ . 1 . 2]" 1
609 1 43 TYR QD 1 81 PHE HA . . 5.140 4.856 4.683 4.980 . 0 0 "[ . 1 . 2]" 1
610 1 43 TYR QD 1 82 PRO HD2 . . 4.060 3.228 3.095 3.349 . 0 0 "[ . 1 . 2]" 1
611 1 43 TYR QD 1 82 PRO HD3 . . 4.800 4.403 4.276 4.550 . 0 0 "[ . 1 . 2]" 1
612 1 43 TYR QD 1 82 PRO HG2 . . 5.140 3.624 3.405 3.746 . 0 0 "[ . 1 . 2]" 1
613 1 43 TYR QD 1 82 PRO HG3 . . 4.550 4.108 3.886 4.228 . 0 0 "[ . 1 . 2]" 1
614 1 43 TYR QD 1 85 TYR H . . 5.500 5.346 5.171 5.503 0.003 8 0 "[ . 1 . 2]" 1
615 1 43 TYR QD 1 85 TYR HB2 . . 3.870 3.140 3.021 3.287 . 0 0 "[ . 1 . 2]" 1
616 1 43 TYR QD 1 85 TYR HB3 . . 3.810 2.809 2.613 2.995 . 0 0 "[ . 1 . 2]" 1
617 1 43 TYR QD 1 85 TYR QD . . 4.300 2.408 2.183 2.774 . 0 0 "[ . 1 . 2]" 1
618 1 43 TYR QD 1 85 TYR QE . . 4.680 3.581 3.383 3.823 . 0 0 "[ . 1 . 2]" 1
619 1 43 TYR QD 1 86 VAL MG1 . . 5.000 4.998 4.841 5.012 0.012 3 0 "[ . 1 . 2]" 1
620 1 43 TYR QE 1 44 ALA H . . 4.410 4.066 3.836 4.298 . 0 0 "[ . 1 . 2]" 1
621 1 43 TYR QE 1 45 ALA H . . 4.330 4.105 3.544 4.335 0.005 19 0 "[ . 1 . 2]" 1
622 1 43 TYR QE 1 45 ALA HA . . 3.290 2.495 2.069 2.776 . 0 0 "[ . 1 . 2]" 1
623 1 43 TYR QE 1 45 ALA MB . . 4.000 3.520 3.136 3.806 . 0 0 "[ . 1 . 2]" 1
624 1 43 TYR QE 1 46 ASN H . . 4.080 3.816 3.219 4.083 0.003 17 0 "[ . 1 . 2]" 1
625 1 43 TYR QE 1 46 ASN QD . . 5.000 4.432 3.610 4.961 . 0 0 "[ . 1 . 2]" 1
626 1 43 TYR QE 1 50 GLU HB2 . . 4.050 3.892 3.490 4.059 0.009 5 0 "[ . 1 . 2]" 1
627 1 43 TYR QE 1 50 GLU HB3 . . 3.420 2.794 2.358 2.962 . 0 0 "[ . 1 . 2]" 1
628 1 43 TYR QE 1 51 LEU H . . 4.190 4.017 3.728 4.191 0.001 8 0 "[ . 1 . 2]" 1
629 1 43 TYR QE 1 81 PHE HA . . 4.580 3.717 3.439 3.828 . 0 0 "[ . 1 . 2]" 1
630 1 43 TYR QE 1 82 PRO HD2 . . 4.580 2.109 2.027 2.209 . 0 0 "[ . 1 . 2]" 1
631 1 43 TYR QE 1 82 PRO HD3 . . 4.000 2.403 2.253 2.523 . 0 0 "[ . 1 . 2]" 1
632 1 43 TYR QE 1 82 PRO HG2 . . 3.870 2.675 2.474 3.034 . 0 0 "[ . 1 . 2]" 1
633 1 43 TYR QE 1 82 PRO HG3 . . 4.280 2.165 1.998 2.512 . 0 0 "[ . 1 . 2]" 1
634 1 43 TYR QE 1 85 TYR H . . 5.500 5.386 5.181 5.516 0.016 16 0 "[ . 1 . 2]" 1
635 1 44 ALA H 1 44 ALA MB . . 2.810 2.449 2.375 2.518 . 0 0 "[ . 1 . 2]" 1
636 1 44 ALA H 1 45 ALA H . . 4.230 4.069 3.934 4.184 . 0 0 "[ . 1 . 2]" 1
637 1 44 ALA HA 1 45 ALA H . . 2.540 2.171 2.142 2.197 . 0 0 "[ . 1 . 2]" 1
638 1 44 ALA HA 1 45 ALA MB . . 4.170 3.991 3.931 4.014 . 0 0 "[ . 1 . 2]" 1
639 1 44 ALA HA 1 52 SER H . . 5.500 5.361 5.049 5.504 0.004 1 0 "[ . 1 . 2]" 1
640 1 44 ALA HA 1 52 SER HA . . 4.410 2.716 2.493 2.939 . 0 0 "[ . 1 . 2]" 1
641 1 44 ALA HA 1 52 SER HB2 . . 4.430 3.347 2.484 4.435 0.005 12 0 "[ . 1 . 2]" 1
642 1 44 ALA HA 1 52 SER QB . . 3.640 2.838 2.231 3.543 . 0 0 "[ . 1 . 2]" 1
643 1 44 ALA HA 1 52 SER HB3 . . 4.430 3.379 2.244 4.441 0.011 5 0 "[ . 1 . 2]" 1
644 1 44 ALA HA 1 53 PHE H . . 4.070 3.509 3.371 3.664 . 0 0 "[ . 1 . 2]" 1
645 1 44 ALA MB 1 45 ALA H . . 3.470 3.425 3.268 3.494 0.024 9 0 "[ . 1 . 2]" 1
646 1 44 ALA MB 1 45 ALA HA . . 5.140 4.548 4.459 4.708 . 0 0 "[ . 1 . 2]" 1
647 1 44 ALA MB 1 52 SER QB . . 4.480 3.796 3.342 4.435 . 0 0 "[ . 1 . 2]" 1
648 1 45 ALA H 1 45 ALA MB . . 2.770 2.155 2.045 2.234 . 0 0 "[ . 1 . 2]" 1
649 1 45 ALA H 1 46 ASN H . . 4.530 4.460 4.355 4.532 0.002 9 0 "[ . 1 . 2]" 1
650 1 45 ALA H 1 47 ASN H . . 5.500 5.327 5.119 5.490 . 0 0 "[ . 1 . 2]" 1
651 1 45 ALA H 1 50 GLU HB3 . . 5.080 4.600 4.249 4.822 . 0 0 "[ . 1 . 2]" 1
652 1 45 ALA H 1 51 LEU MD2 . . 5.500 4.969 4.753 5.229 . 0 0 "[ . 1 . 2]" 1
653 1 45 ALA H 1 52 SER H . . 4.460 3.877 3.698 4.028 . 0 0 "[ . 1 . 2]" 1
654 1 45 ALA H 1 52 SER HA . . 3.460 2.036 1.896 2.364 . 0 0 "[ . 1 . 2]" 1
655 1 45 ALA H 1 52 SER HB2 . . 4.580 2.960 1.895 3.871 . 0 0 "[ . 1 . 2]" 1
656 1 45 ALA H 1 52 SER QB . . 3.870 2.239 1.852 3.093 . 0 0 "[ . 1 . 2]" 1
657 1 45 ALA H 1 52 SER HB3 . . 4.580 2.522 1.893 3.446 . 0 0 "[ . 1 . 2]" 1
658 1 45 ALA H 1 53 PHE H . . 4.390 3.932 3.774 4.164 . 0 0 "[ . 1 . 2]" 1
659 1 45 ALA HA 1 46 ASN H . . 2.760 2.147 2.142 2.159 . 0 0 "[ . 1 . 2]" 1
660 1 45 ALA HA 1 46 ASN QB . . 4.340 4.224 4.161 4.315 . 0 0 "[ . 1 . 2]" 1
661 1 45 ALA HA 1 46 ASN QD . . 4.950 3.860 3.298 4.585 . 0 0 "[ . 1 . 2]" 1
662 1 45 ALA HA 1 47 ASN H . . 3.560 3.496 3.372 3.557 . 0 0 "[ . 1 . 2]" 1
663 1 45 ALA HA 1 50 GLU H . . 5.090 4.770 4.431 4.979 . 0 0 "[ . 1 . 2]" 1
664 1 45 ALA HA 1 50 GLU HB2 . . 3.720 2.571 2.342 2.767 . 0 0 "[ . 1 . 2]" 1
665 1 45 ALA HA 1 50 GLU HB3 . . 3.760 2.603 2.280 2.768 . 0 0 "[ . 1 . 2]" 1
666 1 45 ALA HA 1 51 LEU H . . 5.140 4.254 4.103 4.517 . 0 0 "[ . 1 . 2]" 1
667 1 45 ALA MB 1 46 ASN H . . 3.390 3.275 3.155 3.392 0.002 16 0 "[ . 1 . 2]" 1
668 1 45 ALA MB 1 46 ASN HA . . 5.020 4.482 4.318 4.577 . 0 0 "[ . 1 . 2]" 1
669 1 45 ALA MB 1 46 ASN QB . . 4.970 4.706 4.505 4.876 . 0 0 "[ . 1 . 2]" 1
670 1 45 ALA MB 1 47 ASN H . . 3.040 2.670 2.451 2.949 . 0 0 "[ . 1 . 2]" 1
671 1 45 ALA MB 1 47 ASN HA . . 5.410 4.423 4.154 4.765 . 0 0 "[ . 1 . 2]" 1
672 1 45 ALA MB 1 48 GLU HA . . 4.410 4.068 3.918 4.331 . 0 0 "[ . 1 . 2]" 1
673 1 45 ALA MB 1 50 GLU H . . 3.670 3.029 2.744 3.233 . 0 0 "[ . 1 . 2]" 1
674 1 45 ALA MB 1 50 GLU HA . . 4.800 3.614 3.457 3.772 . 0 0 "[ . 1 . 2]" 1
675 1 45 ALA MB 1 50 GLU HB2 . . 3.210 2.029 1.880 2.235 . 0 0 "[ . 1 . 2]" 1
676 1 45 ALA MB 1 50 GLU HB3 . . 3.560 2.268 1.962 2.755 . 0 0 "[ . 1 . 2]" 1
677 1 45 ALA MB 1 50 GLU HG2 . . 4.410 4.206 3.964 4.412 0.002 16 0 "[ . 1 . 2]" 1
678 1 45 ALA MB 1 50 GLU HG3 . . 4.410 4.152 3.929 4.440 0.030 11 0 "[ . 1 . 2]" 1
679 1 45 ALA MB 1 51 LEU H . . 4.330 2.807 2.495 3.377 . 0 0 "[ . 1 . 2]" 1
680 1 45 ALA MB 1 52 SER H . . 3.970 2.756 2.566 3.117 . 0 0 "[ . 1 . 2]" 1
681 1 45 ALA MB 1 52 SER HA . . 4.410 2.926 2.679 3.216 . 0 0 "[ . 1 . 2]" 1
682 1 45 ALA MB 1 52 SER HB2 . . 4.800 3.356 2.055 3.800 . 0 0 "[ . 1 . 2]" 1
683 1 45 ALA MB 1 52 SER HB3 . . 4.800 2.672 1.964 3.954 . 0 0 "[ . 1 . 2]" 1
684 1 45 ALA MB 1 53 PHE H . . 5.080 4.729 4.528 5.011 . 0 0 "[ . 1 . 2]" 1
685 1 46 ASN H 1 46 ASN QB . . 2.920 2.260 2.167 2.439 . 0 0 "[ . 1 . 2]" 1
686 1 46 ASN H 1 46 ASN HD21 . . 4.460 2.367 1.803 3.190 . 0 0 "[ . 1 . 2]" 1
687 1 46 ASN H 1 46 ASN QD . . 3.810 2.339 1.797 3.076 . 0 0 "[ . 1 . 2]" 1
688 1 46 ASN H 1 46 ASN HD22 . . 4.460 3.795 3.518 4.218 . 0 0 "[ . 1 . 2]" 1
689 1 46 ASN H 1 47 ASN H . . 2.820 2.603 2.358 2.723 . 0 0 "[ . 1 . 2]" 1
690 1 46 ASN H 1 50 GLU H . . 5.490 5.010 4.705 5.261 . 0 0 "[ . 1 . 2]" 1
691 1 46 ASN H 1 50 GLU HB2 . . 3.710 3.108 2.775 3.369 . 0 0 "[ . 1 . 2]" 1
692 1 46 ASN H 1 50 GLU HB3 . . 4.190 3.930 3.539 4.159 . 0 0 "[ . 1 . 2]" 1
693 1 46 ASN H 1 50 GLU QG . . 4.870 4.120 3.359 4.581 . 0 0 "[ . 1 . 2]" 1
694 1 46 ASN HA 1 46 ASN QD . . 4.450 3.658 2.908 4.118 . 0 0 "[ . 1 . 2]" 1
695 1 46 ASN HA 1 46 ASN HD22 . . 5.270 4.570 3.754 5.197 . 0 0 "[ . 1 . 2]" 1
696 1 46 ASN QB 1 46 ASN QD . . 2.860 2.216 2.064 2.510 . 0 0 "[ . 1 . 2]" 1
697 1 46 ASN QB 1 47 ASN H . . 3.990 3.349 2.940 3.900 . 0 0 "[ . 1 . 2]" 1
698 1 47 ASN H 1 47 ASN QB . . 3.520 3.279 3.009 3.402 . 0 0 "[ . 1 . 2]" 1
699 1 47 ASN H 1 47 ASN QD . . 4.680 3.197 1.774 4.173 . 0 0 "[ . 1 . 2]" 1
700 1 47 ASN H 1 48 GLU H . . 4.460 4.374 4.345 4.411 . 0 0 "[ . 1 . 2]" 1
701 1 47 ASN H 1 48 GLU HA . . 5.100 4.979 4.822 5.061 . 0 0 "[ . 1 . 2]" 1
702 1 47 ASN H 1 49 ASP H . . 4.610 4.338 3.779 4.613 0.003 13 0 "[ . 1 . 2]" 1
703 1 47 ASN H 1 50 GLU HB2 . . 3.320 2.764 2.570 2.928 . 0 0 "[ . 1 . 2]" 1
704 1 47 ASN H 1 50 GLU HB3 . . 4.450 4.392 4.161 4.484 0.034 4 0 "[ . 1 . 2]" 1
705 1 47 ASN H 1 50 GLU QG . . 4.520 4.095 3.593 4.526 0.006 15 0 "[ . 1 . 2]" 1
706 1 47 ASN HA 1 47 ASN QD . . 4.270 3.954 3.422 4.295 0.025 9 0 "[ . 1 . 2]" 1
707 1 47 ASN HA 1 48 GLU H . . 2.980 2.583 2.399 2.653 . 0 0 "[ . 1 . 2]" 1
708 1 47 ASN HA 1 48 GLU QG . . 5.020 4.327 3.630 5.019 . 0 0 "[ . 1 . 2]" 1
709 1 47 ASN QB 1 47 ASN QD . . 2.900 2.293 2.064 2.642 . 0 0 "[ . 1 . 2]" 1
710 1 47 ASN QB 1 49 ASP H . . 4.090 2.533 2.271 3.082 . 0 0 "[ . 1 . 2]" 1
711 1 47 ASN HB2 1 48 GLU H . . 3.450 2.126 1.952 2.698 . 0 0 "[ . 1 . 2]" 1
712 1 47 ASN HB3 1 48 GLU H . . 3.450 3.281 2.307 3.450 . 14 0 "[ . 1 . 2]" 1
713 1 47 ASN QD 1 48 GLU H . . 4.600 3.998 3.349 4.601 0.001 3 0 "[ . 1 . 2]" 1
714 1 47 ASN QD 1 49 ASP H . . 4.810 2.862 1.792 4.059 . 0 0 "[ . 1 . 2]" 1
715 1 47 ASN QD 1 49 ASP QB . . 3.010 2.389 1.721 3.011 0.001 19 0 "[ . 1 . 2]" 1
716 1 47 ASN QD 1 50 GLU QG . . 3.980 2.875 1.861 3.980 0.000 20 0 "[ . 1 . 2]" 1
717 1 48 GLU H 1 48 GLU HB2 . . 3.790 2.825 2.231 3.638 . 0 0 "[ . 1 . 2]" 1
718 1 48 GLU H 1 48 GLU QB . . 2.980 2.409 2.208 2.679 . 0 0 "[ . 1 . 2]" 1
719 1 48 GLU H 1 48 GLU HB3 . . 3.790 3.213 2.377 3.635 . 0 0 "[ . 1 . 2]" 1
720 1 48 GLU H 1 48 GLU QG . . 3.370 2.490 1.917 3.328 . 0 0 "[ . 1 . 2]" 1
721 1 48 GLU H 1 49 ASP H . . 3.500 2.652 2.382 2.924 . 0 0 "[ . 1 . 2]" 1
722 1 48 GLU H 1 50 GLU H . . 4.610 4.404 4.219 4.574 . 0 0 "[ . 1 . 2]" 1
723 1 48 GLU HA 1 48 GLU QG . . 3.600 2.795 2.246 3.445 . 0 0 "[ . 1 . 2]" 1
724 1 48 GLU HA 1 50 GLU H . . 4.280 4.093 3.895 4.292 0.012 11 0 "[ . 1 . 2]" 1
725 1 48 GLU HB2 1 49 ASP H . . 4.580 3.525 2.752 4.458 . 0 0 "[ . 1 . 2]" 1
726 1 48 GLU HB3 1 49 ASP H . . 4.580 4.002 3.583 4.567 . 0 0 "[ . 1 . 2]" 1
727 1 48 GLU QG 1 49 ASP H . . 4.820 3.748 2.142 4.751 . 0 0 "[ . 1 . 2]" 1
728 1 48 GLU HG2 1 49 ASP H . . 5.500 4.234 2.269 5.567 0.067 4 0 "[ . 1 . 2]" 1
729 1 48 GLU HG3 1 49 ASP H . . 5.500 4.329 2.245 5.474 . 0 0 "[ . 1 . 2]" 1
730 1 49 ASP H 1 49 ASP HB2 . . 3.810 2.472 2.203 3.276 . 0 0 "[ . 1 . 2]" 1
731 1 49 ASP H 1 49 ASP QB . . 3.120 2.310 2.177 2.581 . 0 0 "[ . 1 . 2]" 1
732 1 49 ASP H 1 49 ASP HB3 . . 3.810 3.247 2.262 3.740 . 0 0 "[ . 1 . 2]" 1
733 1 49 ASP H 1 50 GLU H . . 2.880 2.528 1.805 2.843 . 0 0 "[ . 1 . 2]" 1
734 1 49 ASP H 1 50 GLU HB2 . . 5.170 4.657 3.758 5.086 . 0 0 "[ . 1 . 2]" 1
735 1 49 ASP H 1 50 GLU QG . . 4.870 4.750 4.212 4.958 0.088 4 0 "[ . 1 . 2]" 1
736 1 49 ASP QB 1 50 GLU H . . 3.690 2.736 2.550 3.119 . 0 0 "[ . 1 . 2]" 1
737 1 50 GLU H 1 50 GLU HB2 . . 3.040 2.340 2.199 2.434 . 0 0 "[ . 1 . 2]" 1
738 1 50 GLU H 1 50 GLU HB3 . . 3.670 3.588 3.487 3.646 . 0 0 "[ . 1 . 2]" 1
739 1 50 GLU H 1 50 GLU QG . . 3.280 2.891 2.657 3.369 0.089 11 0 "[ . 1 . 2]" 1
740 1 50 GLU H 1 51 LEU H . . 4.730 4.542 4.518 4.577 . 0 0 "[ . 1 . 2]" 1
741 1 50 GLU H 1 80 LEU H . . 5.100 4.850 4.450 5.063 . 0 0 "[ . 1 . 2]" 1
742 1 50 GLU H 1 80 LEU HB2 . . 5.100 4.888 4.441 5.103 0.003 9 0 "[ . 1 . 2]" 1
743 1 50 GLU HA 1 50 GLU HG2 . . 3.760 2.628 2.341 3.724 . 0 0 "[ . 1 . 2]" 1
744 1 50 GLU HA 1 50 GLU QG . . 3.220 2.387 2.271 2.804 . 0 0 "[ . 1 . 2]" 1
745 1 50 GLU HA 1 50 GLU HG3 . . 3.760 2.871 2.616 3.150 . 0 0 "[ . 1 . 2]" 1
746 1 50 GLU HA 1 51 LEU H . . 3.000 2.496 2.429 2.519 . 0 0 "[ . 1 . 2]" 1
747 1 50 GLU HA 1 51 LEU HA . . 5.140 4.391 4.369 4.406 . 0 0 "[ . 1 . 2]" 1
748 1 50 GLU HA 1 51 LEU HB2 . . 5.140 4.104 4.078 4.139 . 0 0 "[ . 1 . 2]" 1
749 1 50 GLU HA 1 79 GLY HA2 . . 4.580 4.444 4.054 4.587 0.007 13 0 "[ . 1 . 2]" 1
750 1 50 GLU HA 1 79 GLY HA3 . . 4.410 4.070 3.866 4.267 . 0 0 "[ . 1 . 2]" 1
751 1 50 GLU HA 1 80 LEU H . . 3.080 2.328 2.014 2.477 . 0 0 "[ . 1 . 2]" 1
752 1 50 GLU HA 1 80 LEU HB2 . . 3.670 2.470 1.998 2.714 . 0 0 "[ . 1 . 2]" 1
753 1 50 GLU HA 1 80 LEU HB3 . . 4.170 3.979 3.623 4.172 0.002 20 0 "[ . 1 . 2]" 1
754 1 50 GLU HA 1 80 LEU QD . . 5.090 3.861 3.265 4.133 . 0 0 "[ . 1 . 2]" 1
755 1 50 GLU HA 1 80 LEU HG . . 4.800 4.344 3.461 4.709 . 0 0 "[ . 1 . 2]" 1
756 1 50 GLU HB2 1 51 LEU H . . 3.940 3.589 3.476 3.807 . 0 0 "[ . 1 . 2]" 1
757 1 50 GLU HB3 1 51 LEU H . . 3.440 2.231 2.171 2.393 . 0 0 "[ . 1 . 2]" 1
758 1 50 GLU HB3 1 69 TRP HZ3 . . 4.800 4.298 3.853 4.648 . 0 0 "[ . 1 . 2]" 1
759 1 50 GLU HB3 1 80 LEU H . . 4.460 4.140 3.622 4.355 . 0 0 "[ . 1 . 2]" 1
760 1 50 GLU QG 1 51 LEU H . . 4.040 3.537 3.205 3.694 . 0 0 "[ . 1 . 2]" 1
761 1 50 GLU QG 1 69 TRP HH2 . . 4.750 3.091 2.603 3.483 . 0 0 "[ . 1 . 2]" 1
762 1 50 GLU QG 1 69 TRP HZ3 . . 3.870 2.838 2.406 3.348 . 0 0 "[ . 1 . 2]" 1
763 1 50 GLU QG 1 80 LEU H . . 4.320 4.158 3.865 4.325 0.005 20 0 "[ . 1 . 2]" 1
764 1 50 GLU QG 1 80 LEU HB2 . . 3.760 3.214 2.905 3.497 . 0 0 "[ . 1 . 2]" 1
765 1 50 GLU QG 1 80 LEU HB3 . . 4.480 3.954 3.612 4.280 . 0 0 "[ . 1 . 2]" 1
766 1 50 GLU QG 1 80 LEU QD . . 4.950 3.962 3.725 4.161 . 0 0 "[ . 1 . 2]" 1
767 1 50 GLU HG2 1 80 LEU HB2 . . 4.410 3.529 2.999 4.425 0.015 11 0 "[ . 1 . 2]" 1
768 1 50 GLU HG3 1 80 LEU HB2 . . 4.410 4.000 2.966 4.414 0.004 17 0 "[ . 1 . 2]" 1
769 1 51 LEU H 1 51 LEU HB2 . . 3.420 2.551 2.455 2.614 . 0 0 "[ . 1 . 2]" 1
770 1 51 LEU H 1 51 LEU HB3 . . 3.460 2.891 2.864 2.916 . 0 0 "[ . 1 . 2]" 1
771 1 51 LEU H 1 51 LEU MD1 . . 4.710 4.430 4.337 4.464 . 0 0 "[ . 1 . 2]" 1
772 1 51 LEU H 1 51 LEU MD2 . . 5.010 4.224 4.189 4.246 . 0 0 "[ . 1 . 2]" 1
773 1 51 LEU H 1 51 LEU HG . . 4.530 4.486 4.407 4.531 0.001 7 0 "[ . 1 . 2]" 1
774 1 51 LEU H 1 52 SER H . . 4.600 4.409 4.366 4.485 . 0 0 "[ . 1 . 2]" 1
775 1 51 LEU H 1 79 GLY HA2 . . 5.180 4.978 4.517 5.182 0.002 19 0 "[ . 1 . 2]" 1
776 1 51 LEU H 1 79 GLY HA3 . . 4.190 3.716 3.332 3.912 . 0 0 "[ . 1 . 2]" 1
777 1 51 LEU H 1 80 LEU H . . 3.750 2.559 1.967 3.011 . 0 0 "[ . 1 . 2]" 1
778 1 51 LEU H 1 80 LEU HB3 . . 5.460 5.135 4.737 5.468 0.008 3 0 "[ . 1 . 2]" 1
779 1 51 LEU H 1 81 PHE H . . 5.400 5.176 4.905 5.403 0.003 20 0 "[ . 1 . 2]" 1
780 1 51 LEU H 1 81 PHE HA . . 4.580 4.366 4.216 4.520 . 0 0 "[ . 1 . 2]" 1
781 1 51 LEU H 1 81 PHE HB3 . . 4.800 3.727 3.537 3.911 . 0 0 "[ . 1 . 2]" 1
782 1 51 LEU HA 1 51 LEU MD2 . . 3.150 2.262 2.097 2.478 . 0 0 "[ . 1 . 2]" 1
783 1 51 LEU HA 1 51 LEU HG . . 4.080 2.584 2.541 2.685 . 0 0 "[ . 1 . 2]" 1
784 1 51 LEU HA 1 52 SER H . . 2.690 2.153 2.143 2.197 . 0 0 "[ . 1 . 2]" 1
785 1 51 LEU HB2 1 51 LEU MD1 . . 3.340 2.440 2.374 2.533 . 0 0 "[ . 1 . 2]" 1
786 1 51 LEU HB2 1 52 SER H . . 4.580 4.411 4.293 4.450 . 0 0 "[ . 1 . 2]" 1
787 1 51 LEU HB2 1 53 PHE QE . . 4.280 4.105 3.856 4.224 . 0 0 "[ . 1 . 2]" 1
788 1 51 LEU HB2 1 79 GLY H . . 4.700 3.725 3.385 3.904 . 0 0 "[ . 1 . 2]" 1
789 1 51 LEU HB2 1 79 GLY HA2 . . 5.140 3.779 3.596 4.014 . 0 0 "[ . 1 . 2]" 1
790 1 51 LEU HB2 1 79 GLY HA3 . . 4.280 2.126 1.994 2.379 . 0 0 "[ . 1 . 2]" 1
791 1 51 LEU HB2 1 80 LEU H . . 5.140 2.409 1.994 3.048 . 0 0 "[ . 1 . 2]" 1
792 1 51 LEU HB2 1 81 PHE HB3 . . 4.410 3.939 3.776 4.104 . 0 0 "[ . 1 . 2]" 1
793 1 51 LEU HB2 1 81 PHE QD . . 4.860 2.975 2.754 3.178 . 0 0 "[ . 1 . 2]" 1
794 1 51 LEU HB3 1 51 LEU MD1 . . 3.320 2.239 2.150 2.314 . 0 0 "[ . 1 . 2]" 1
795 1 51 LEU HB3 1 51 LEU MD2 . . 3.620 2.430 2.334 2.509 . 0 0 "[ . 1 . 2]" 1
796 1 51 LEU HB3 1 52 SER H . . 3.930 3.890 3.721 3.944 0.014 18 0 "[ . 1 . 2]" 1
797 1 51 LEU HB3 1 53 PHE QD . . 4.500 2.553 2.275 2.768 . 0 0 "[ . 1 . 2]" 1
798 1 51 LEU HB3 1 53 PHE QE . . 3.760 2.617 2.478 2.678 . 0 0 "[ . 1 . 2]" 1
799 1 51 LEU HB3 1 53 PHE HZ . . 5.100 5.057 4.917 5.118 0.018 10 0 "[ . 1 . 2]" 1
800 1 51 LEU HB3 1 79 GLY HA3 . . 4.280 3.786 3.592 4.052 . 0 0 "[ . 1 . 2]" 1
801 1 51 LEU HB3 1 81 PHE HB3 . . 4.280 3.296 3.041 3.507 . 0 0 "[ . 1 . 2]" 1
802 1 51 LEU HB3 1 81 PHE QD . . 4.950 2.440 2.232 2.664 . 0 0 "[ . 1 . 2]" 1
803 1 51 LEU HB3 1 81 PHE QE . . 5.500 4.226 3.972 4.466 . 0 0 "[ . 1 . 2]" 1
804 1 51 LEU MD1 1 53 PHE QE . . 3.870 3.528 3.162 3.774 . 0 0 "[ . 1 . 2]" 1
805 1 51 LEU MD1 1 53 PHE HZ . . 5.350 5.335 5.106 5.362 0.012 20 0 "[ . 1 . 2]" 1
806 1 51 LEU MD1 1 59 ILE MD . . 3.930 3.545 3.291 3.836 . 0 0 "[ . 1 . 2]" 1
807 1 51 LEU MD1 1 59 ILE MG . . 3.540 3.469 3.153 3.554 0.014 16 0 "[ . 1 . 2]" 1
808 1 51 LEU MD1 1 72 GLY H . . 3.770 3.372 3.045 3.609 . 0 0 "[ . 1 . 2]" 1
809 1 51 LEU MD1 1 72 GLY HA2 . . 4.870 4.793 4.442 4.886 0.016 17 0 "[ . 1 . 2]" 1
810 1 51 LEU MD1 1 72 GLY HA3 . . 4.000 3.890 3.441 4.011 0.011 15 0 "[ . 1 . 2]" 1
811 1 51 LEU MD1 1 73 GLU H . . 4.500 4.287 3.743 4.502 0.002 15 0 "[ . 1 . 2]" 1
812 1 51 LEU MD1 1 73 GLU HA . . 3.760 3.115 2.791 3.306 . 0 0 "[ . 1 . 2]" 1
813 1 51 LEU MD1 1 74 ILE H . . 4.110 3.486 3.109 3.905 . 0 0 "[ . 1 . 2]" 1
814 1 51 LEU MD1 1 77 VAL H . . 5.500 5.392 5.084 5.504 0.004 9 0 "[ . 1 . 2]" 1
815 1 51 LEU MD1 1 78 THR H . . 5.450 4.854 4.667 5.070 . 0 0 "[ . 1 . 2]" 1
816 1 51 LEU MD1 1 78 THR HA . . 3.630 3.100 2.770 3.259 . 0 0 "[ . 1 . 2]" 1
817 1 51 LEU MD1 1 78 THR HB . . 4.870 4.782 4.548 4.883 0.013 16 0 "[ . 1 . 2]" 1
818 1 51 LEU MD1 1 79 GLY H . . 3.360 2.589 2.452 2.793 . 0 0 "[ . 1 . 2]" 1
819 1 51 LEU MD1 1 79 GLY HA2 . . 4.770 4.322 4.135 4.627 . 0 0 "[ . 1 . 2]" 1
820 1 51 LEU MD1 1 79 GLY HA3 . . 3.960 3.155 2.968 3.516 . 0 0 "[ . 1 . 2]" 1
821 1 51 LEU MD1 1 81 PHE HB3 . . 4.410 4.141 4.000 4.313 . 0 0 "[ . 1 . 2]" 1
822 1 51 LEU MD1 1 81 PHE QD . . 3.780 2.290 2.120 2.516 . 0 0 "[ . 1 . 2]" 1
823 1 51 LEU MD2 1 52 SER H . . 3.310 1.879 1.821 1.973 . 0 0 "[ . 1 . 2]" 1
824 1 51 LEU MD2 1 53 PHE QD . . 3.580 1.987 1.966 2.140 . 0 0 "[ . 1 . 2]" 1
825 1 51 LEU MD2 1 53 PHE QE . . 4.280 3.811 3.732 3.980 . 0 0 "[ . 1 . 2]" 1
826 1 51 LEU MD2 1 74 ILE H . . 4.890 4.265 3.911 4.610 . 0 0 "[ . 1 . 2]" 1
827 1 51 LEU MD2 1 77 VAL H . . 5.500 5.458 5.214 5.516 0.016 9 0 "[ . 1 . 2]" 1
828 1 51 LEU MD2 1 77 VAL HB . . 4.670 4.589 4.308 4.687 0.017 9 0 "[ . 1 . 2]" 1
829 1 51 LEU MD2 1 78 THR H . . 5.500 5.151 4.930 5.386 . 0 0 "[ . 1 . 2]" 1
830 1 51 LEU HG 1 52 SER H . . 4.130 3.850 3.566 4.011 . 0 0 "[ . 1 . 2]" 1
831 1 51 LEU HG 1 53 PHE QD . . 5.110 4.541 4.439 4.643 . 0 0 "[ . 1 . 2]" 1
832 1 51 LEU HG 1 79 GLY H . . 3.760 3.386 2.962 3.641 . 0 0 "[ . 1 . 2]" 1
833 1 51 LEU HG 1 79 GLY HA2 . . 4.410 3.943 3.624 4.207 . 0 0 "[ . 1 . 2]" 1
834 1 51 LEU HG 1 79 GLY HA3 . . 4.000 2.441 2.111 2.717 . 0 0 "[ . 1 . 2]" 1
835 1 51 LEU HG 1 81 PHE QD . . 5.500 4.537 4.328 4.740 . 0 0 "[ . 1 . 2]" 1
836 1 52 SER H 1 52 SER HB2 . . 3.740 3.262 2.348 3.704 . 0 0 "[ . 1 . 2]" 1
837 1 52 SER H 1 52 SER QB . . 3.030 2.619 2.247 2.849 . 0 0 "[ . 1 . 2]" 1
838 1 52 SER H 1 52 SER HB3 . . 3.740 3.020 2.288 3.729 . 0 0 "[ . 1 . 2]" 1
839 1 52 SER H 1 53 PHE H . . 4.330 4.346 4.260 4.411 0.081 10 0 "[ . 1 . 2]" 1
840 1 52 SER HA 1 53 PHE H . . 2.620 2.141 2.138 2.148 . 0 0 "[ . 1 . 2]" 1
841 1 52 SER QB 1 53 PHE H . . 3.630 3.474 3.374 3.744 0.114 5 0 "[ . 1 . 2]" 1
842 1 52 SER HB2 1 53 PHE H . . 4.430 3.877 3.537 4.455 0.025 10 0 "[ . 1 . 2]" 1
843 1 52 SER HB3 1 53 PHE H . . 4.430 4.140 3.509 4.470 0.040 5 0 "[ . 1 . 2]" 1
844 1 53 PHE H 1 53 PHE HB3 . . 4.070 3.413 3.354 3.469 . 0 0 "[ . 1 . 2]" 1
845 1 53 PHE H 1 53 PHE QE . . 4.450 4.201 4.099 4.284 . 0 0 "[ . 1 . 2]" 1
846 1 53 PHE H 1 53 PHE HZ . . 5.400 5.347 5.232 5.409 0.009 15 0 "[ . 1 . 2]" 1
847 1 53 PHE H 1 54 SER H . . 4.600 4.414 4.407 4.431 . 0 0 "[ . 1 . 2]" 1
848 1 53 PHE H 1 54 SER HA . . 4.990 4.737 4.718 4.811 . 0 0 "[ . 1 . 2]" 1
849 1 53 PHE HA 1 54 SER H . . 2.810 2.478 2.407 2.509 . 0 0 "[ . 1 . 2]" 1
850 1 53 PHE HA 1 57 GLN HB2 . . 5.140 4.168 3.945 4.349 . 0 0 "[ . 1 . 2]" 1
851 1 53 PHE HA 1 57 GLN HB3 . . 5.410 4.796 4.573 4.986 . 0 0 "[ . 1 . 2]" 1
852 1 53 PHE HA 1 74 ILE MD . . 4.170 3.636 3.503 3.768 . 0 0 "[ . 1 . 2]" 1
853 1 53 PHE HB2 1 54 SER H . . 3.050 2.265 2.197 2.419 . 0 0 "[ . 1 . 2]" 1
854 1 53 PHE HB2 1 57 GLN H . . 4.700 4.336 4.059 4.566 . 0 0 "[ . 1 . 2]" 1
855 1 53 PHE HB2 1 57 GLN HB2 . . 4.080 2.326 2.122 2.486 . 0 0 "[ . 1 . 2]" 1
856 1 53 PHE HB2 1 57 GLN HB3 . . 4.000 2.430 2.199 2.621 . 0 0 "[ . 1 . 2]" 1
857 1 53 PHE HB2 1 57 GLN HG2 . . 4.410 2.063 1.998 2.199 . 0 0 "[ . 1 . 2]" 1
858 1 53 PHE HB2 1 57 GLN HG3 . . 4.170 3.537 3.290 3.703 . 0 0 "[ . 1 . 2]" 1
859 1 53 PHE HB2 1 59 ILE MD . . 4.410 3.494 3.063 3.820 . 0 0 "[ . 1 . 2]" 1
860 1 53 PHE HB2 1 74 ILE MD . . 3.630 2.736 2.558 2.917 . 0 0 "[ . 1 . 2]" 1
861 1 53 PHE HB3 1 54 SER H . . 3.650 3.593 3.516 3.656 0.006 11 0 "[ . 1 . 2]" 1
862 1 53 PHE HB3 1 57 GLN HB2 . . 4.410 3.937 3.693 4.142 . 0 0 "[ . 1 . 2]" 1
863 1 53 PHE HB3 1 57 GLN HB3 . . 4.410 3.603 3.308 3.825 . 0 0 "[ . 1 . 2]" 1
864 1 53 PHE HB3 1 57 GLN HE22 . . 5.500 5.480 5.218 5.516 0.016 13 0 "[ . 1 . 2]" 1
865 1 53 PHE HB3 1 57 GLN HG2 . . 4.580 2.497 2.311 2.643 . 0 0 "[ . 1 . 2]" 1
866 1 53 PHE HB3 1 57 GLN HG3 . . 4.280 4.007 3.502 4.283 0.003 1 0 "[ . 1 . 2]" 1
867 1 53 PHE HB3 1 59 ILE MD . . 4.580 3.715 3.343 4.035 . 0 0 "[ . 1 . 2]" 1
868 1 53 PHE HB3 1 74 ILE MD . . 3.350 1.896 1.785 2.008 . 0 0 "[ . 1 . 2]" 1
869 1 53 PHE HB3 1 74 ILE MG . . 4.800 3.250 3.034 3.622 . 0 0 "[ . 1 . 2]" 1
870 1 53 PHE QD 1 59 ILE MD . . 4.680 2.967 2.729 3.194 . 0 0 "[ . 1 . 2]" 1
871 1 53 PHE QE 1 54 SER HA . . 5.500 5.480 5.372 5.516 0.016 10 0 "[ . 1 . 2]" 1
872 1 53 PHE QE 1 55 LYS HA . . 4.800 4.731 4.603 4.808 0.008 14 0 "[ . 1 . 2]" 1
873 1 53 PHE QE 1 57 GLN H . . 5.400 5.299 5.135 5.414 0.014 5 0 "[ . 1 . 2]" 1
874 1 53 PHE QE 1 57 GLN HB2 . . 5.500 5.342 5.079 5.504 0.004 16 0 "[ . 1 . 2]" 1
875 1 53 PHE QE 1 57 GLN HB3 . . 5.100 4.919 4.680 5.073 . 0 0 "[ . 1 . 2]" 1
876 1 53 PHE QE 1 59 ILE MD . . 3.870 3.039 2.842 3.155 . 0 0 "[ . 1 . 2]" 1
877 1 53 PHE QE 1 59 ILE HG13 . . 5.460 5.394 5.203 5.470 0.010 17 0 "[ . 1 . 2]" 1
878 1 53 PHE QE 1 74 ILE MD . . 4.090 3.881 3.670 4.037 . 0 0 "[ . 1 . 2]" 1
879 1 53 PHE QE 1 81 PHE HB2 . . 3.460 3.086 2.927 3.269 . 0 0 "[ . 1 . 2]" 1
880 1 53 PHE QE 1 81 PHE HB3 . . 4.580 2.223 2.103 2.409 . 0 0 "[ . 1 . 2]" 1
881 1 53 PHE QE 1 86 VAL MG1 . . 5.500 3.580 3.372 3.780 . 0 0 "[ . 1 . 2]" 1
882 1 53 PHE HZ 1 59 ILE MD . . 4.080 3.487 3.230 3.593 . 0 0 "[ . 1 . 2]" 1
883 1 53 PHE HZ 1 74 ILE MD . . 5.500 5.202 4.945 5.419 . 0 0 "[ . 1 . 2]" 1
884 1 53 PHE HZ 1 81 PHE HA . . 5.100 4.991 4.822 5.096 . 0 0 "[ . 1 . 2]" 1
885 1 53 PHE HZ 1 81 PHE HB2 . . 3.630 2.822 2.664 2.933 . 0 0 "[ . 1 . 2]" 1
886 1 53 PHE HZ 1 85 TYR HB2 . . 4.280 3.637 3.449 3.809 . 0 0 "[ . 1 . 2]" 1
887 1 53 PHE HZ 1 85 TYR HB3 . . 4.000 3.085 2.930 3.296 . 0 0 "[ . 1 . 2]" 1
888 1 53 PHE HZ 1 86 VAL MG1 . . 4.580 3.496 3.191 3.653 . 0 0 "[ . 1 . 2]" 1
889 1 54 SER H 1 54 SER HB2 . . 3.800 2.913 2.436 3.757 . 0 0 "[ . 1 . 2]" 1
890 1 54 SER H 1 54 SER QB . . 3.020 2.618 2.402 3.011 . 0 0 "[ . 1 . 2]" 1
891 1 54 SER H 1 54 SER HB3 . . 3.800 3.427 2.906 3.798 . 0 0 "[ . 1 . 2]" 1
892 1 54 SER H 1 55 LYS H . . 4.550 4.493 4.442 4.529 . 0 0 "[ . 1 . 2]" 1
893 1 54 SER H 1 57 GLN H . . 4.800 4.499 4.204 4.730 . 0 0 "[ . 1 . 2]" 1
894 1 54 SER H 1 57 GLN HA . . 5.380 4.523 4.261 4.713 . 0 0 "[ . 1 . 2]" 1
895 1 54 SER H 1 57 GLN HB2 . . 3.640 2.349 2.080 2.565 . 0 0 "[ . 1 . 2]" 1
896 1 54 SER H 1 57 GLN HB3 . . 4.030 3.714 3.425 3.932 . 0 0 "[ . 1 . 2]" 1
897 1 54 SER H 1 57 GLN HE22 . . 5.080 4.006 3.593 4.651 . 0 0 "[ . 1 . 2]" 1
898 1 54 SER H 1 57 GLN HG2 . . 4.030 3.069 2.755 3.485 . 0 0 "[ . 1 . 2]" 1
899 1 54 SER H 1 57 GLN HG3 . . 4.580 4.417 4.225 4.592 0.012 3 0 "[ . 1 . 2]" 1
900 1 54 SER H 1 74 ILE MD . . 4.550 4.453 4.352 4.559 0.009 13 0 "[ . 1 . 2]" 1
901 1 54 SER HA 1 55 LYS H . . 2.770 2.347 2.210 2.572 . 0 0 "[ . 1 . 2]" 1
902 1 54 SER HA 1 55 LYS HA . . 4.580 4.298 4.293 4.309 . 0 0 "[ . 1 . 2]" 1
903 1 54 SER HA 1 55 LYS HB2 . . 4.870 4.720 4.381 4.793 . 0 0 "[ . 1 . 2]" 1
904 1 54 SER HA 1 55 LYS HB3 . . 5.100 4.836 4.647 5.130 0.030 19 0 "[ . 1 . 2]" 1
905 1 54 SER QB 1 55 LYS H . . 3.180 2.627 2.316 2.906 . 0 0 "[ . 1 . 2]" 1
906 1 54 SER QB 1 55 LYS HB2 . . 4.970 4.812 4.476 5.005 0.035 15 0 "[ . 1 . 2]" 1
907 1 54 SER QB 1 55 LYS HB3 . . 4.690 4.090 3.907 4.522 . 0 0 "[ . 1 . 2]" 1
908 1 54 SER QB 1 57 GLN H . . 5.340 5.069 4.724 5.351 0.011 17 0 "[ . 1 . 2]" 1
909 1 54 SER QB 1 57 GLN HG2 . . 5.310 5.109 4.868 5.327 0.017 17 0 "[ . 1 . 2]" 1
910 1 54 SER HB2 1 55 LYS H . . 3.920 3.465 2.338 3.930 0.010 11 0 "[ . 1 . 2]" 1
911 1 54 SER HB3 1 55 LYS H . . 3.920 3.066 2.378 3.926 0.006 10 0 "[ . 1 . 2]" 1
912 1 55 LYS H 1 55 LYS HB2 . . 3.000 2.549 2.191 2.613 . 0 0 "[ . 1 . 2]" 1
913 1 55 LYS H 1 55 LYS HB3 . . 3.040 2.534 2.432 3.057 0.017 19 0 "[ . 1 . 2]" 1
914 1 55 LYS H 1 55 LYS HD2 . . 5.500 5.059 4.706 5.547 0.047 19 0 "[ . 1 . 2]" 1
915 1 55 LYS H 1 55 LYS HD3 . . 5.500 4.848 4.422 5.236 . 0 0 "[ . 1 . 2]" 1
916 1 55 LYS H 1 55 LYS HG2 . . 4.470 4.460 4.397 4.585 0.115 19 0 "[ . 1 . 2]" 1
917 1 55 LYS H 1 55 LYS HG3 . . 4.800 4.447 4.022 4.497 . 0 0 "[ . 1 . 2]" 1
918 1 55 LYS H 1 56 GLY H . . 4.670 4.489 4.430 4.535 . 0 0 "[ . 1 . 2]" 1
919 1 55 LYS H 1 57 GLN H . . 5.400 5.176 4.929 5.351 . 0 0 "[ . 1 . 2]" 1
920 1 55 LYS HA 1 55 LYS HG2 . . 3.720 3.268 2.912 3.386 . 0 0 "[ . 1 . 2]" 1
921 1 55 LYS HA 1 55 LYS HG3 . . 3.310 2.596 2.348 2.707 . 0 0 "[ . 1 . 2]" 1
922 1 55 LYS HA 1 56 GLY H . . 2.720 2.148 2.145 2.153 . 0 0 "[ . 1 . 2]" 1
923 1 55 LYS HA 1 56 GLY HA3 . . 4.550 4.398 4.384 4.411 . 0 0 "[ . 1 . 2]" 1
924 1 55 LYS HA 1 57 GLN H . . 3.730 3.669 3.477 3.740 0.010 16 0 "[ . 1 . 2]" 1
925 1 55 LYS HB2 1 56 GLY H . . 4.410 4.261 4.174 4.420 0.010 19 0 "[ . 1 . 2]" 1
926 1 55 LYS HB3 1 55 LYS HE2 . . 5.500 4.493 3.863 4.808 . 0 0 "[ . 1 . 2]" 1
927 1 55 LYS HB3 1 55 LYS QE . . 4.700 3.852 2.425 4.282 . 0 0 "[ . 1 . 2]" 1
928 1 55 LYS HB3 1 55 LYS HE3 . . 5.500 4.289 2.451 4.948 . 0 0 "[ . 1 . 2]" 1
929 1 55 LYS HB3 1 56 GLY H . . 4.690 4.317 3.971 4.416 . 0 0 "[ . 1 . 2]" 1
930 1 55 LYS QD 1 56 GLY H . . 5.250 4.970 4.810 5.139 . 0 0 "[ . 1 . 2]" 1
931 1 55 LYS QE 1 55 LYS HG2 . . 3.570 2.413 2.089 2.914 . 0 0 "[ . 1 . 2]" 1
932 1 55 LYS QE 1 55 LYS HG3 . . 3.630 2.735 2.253 3.465 . 0 0 "[ . 1 . 2]" 1
933 1 55 LYS HG2 1 56 GLY H . . 3.930 3.476 3.152 3.781 . 0 0 "[ . 1 . 2]" 1
934 1 55 LYS HG2 1 56 GLY HA2 . . 4.580 4.248 4.102 4.473 . 0 0 "[ . 1 . 2]" 1
935 1 55 LYS HG2 1 56 GLY HA3 . . 4.580 3.616 3.415 4.215 . 0 0 "[ . 1 . 2]" 1
936 1 55 LYS HG3 1 56 GLY H . . 4.000 3.205 2.983 3.476 . 0 0 "[ . 1 . 2]" 1
937 1 55 LYS HG3 1 57 GLN H . . 5.500 5.438 5.347 5.517 0.017 19 0 "[ . 1 . 2]" 1
938 1 56 GLY H 1 57 GLN H . . 3.150 2.313 2.177 2.438 . 0 0 "[ . 1 . 2]" 1
939 1 56 GLY H 1 57 GLN HA . . 5.500 4.967 4.857 5.046 . 0 0 "[ . 1 . 2]" 1
940 1 56 GLY H 1 57 GLN HB3 . . 4.930 4.813 4.679 4.941 0.011 15 0 "[ . 1 . 2]" 1
941 1 56 GLY HA2 1 57 GLN HA . . 5.100 4.637 4.592 4.706 . 0 0 "[ . 1 . 2]" 1
942 1 57 GLN H 1 57 GLN HB2 . . 2.930 2.482 2.315 2.667 . 0 0 "[ . 1 . 2]" 1
943 1 57 GLN H 1 57 GLN HB3 . . 3.060 2.700 2.544 2.843 . 0 0 "[ . 1 . 2]" 1
944 1 57 GLN H 1 57 GLN HG3 . . 4.590 4.519 4.453 4.569 . 0 0 "[ . 1 . 2]" 1
945 1 57 GLN H 1 58 LEU H . . 4.680 4.594 4.570 4.618 . 0 0 "[ . 1 . 2]" 1
946 1 57 GLN H 1 58 LEU HA . . 5.500 5.412 5.329 5.509 0.009 18 0 "[ . 1 . 2]" 1
947 1 57 GLN HA 1 57 GLN HE21 . . 4.450 4.225 3.728 4.477 0.027 15 0 "[ . 1 . 2]" 1
948 1 57 GLN HA 1 57 GLN HE22 . . 4.610 4.222 3.848 4.489 . 0 0 "[ . 1 . 2]" 1
949 1 57 GLN HA 1 57 GLN HG2 . . 3.870 3.683 3.643 3.752 . 0 0 "[ . 1 . 2]" 1
950 1 57 GLN HA 1 57 GLN HG3 . . 3.500 2.845 2.579 3.139 . 0 0 "[ . 1 . 2]" 1
951 1 57 GLN HA 1 58 LEU H . . 2.620 2.367 2.303 2.440 . 0 0 "[ . 1 . 2]" 1
952 1 57 GLN HA 1 58 LEU HA . . 4.580 4.328 4.320 4.339 . 0 0 "[ . 1 . 2]" 1
953 1 57 GLN HA 1 58 LEU HB2 . . 5.150 4.862 4.801 4.916 . 0 0 "[ . 1 . 2]" 1
954 1 57 GLN HA 1 58 LEU HB3 . . 4.500 4.390 4.353 4.463 . 0 0 "[ . 1 . 2]" 1
955 1 57 GLN HA 1 74 ILE MG . . 4.800 4.220 4.085 4.378 . 0 0 "[ . 1 . 2]" 1
956 1 57 GLN HB2 1 57 GLN HE21 . . 4.260 3.712 2.599 4.308 0.048 9 0 "[ . 1 . 2]" 1
957 1 57 GLN HB2 1 57 GLN HE22 . . 4.800 4.275 3.734 4.556 . 0 0 "[ . 1 . 2]" 1
958 1 57 GLN HB2 1 58 LEU H . . 4.190 3.972 3.799 4.081 . 0 0 "[ . 1 . 2]" 1
959 1 57 GLN HB2 1 74 ILE MD . . 4.280 3.962 3.749 4.147 . 0 0 "[ . 1 . 2]" 1
960 1 57 GLN HB2 1 74 ILE MG . . 4.640 4.108 4.001 4.239 . 0 0 "[ . 1 . 2]" 1
961 1 57 GLN HB3 1 57 GLN HE21 . . 4.670 4.359 3.841 4.596 . 0 0 "[ . 1 . 2]" 1
962 1 57 GLN HB3 1 58 LEU H . . 3.840 3.451 3.295 3.687 . 0 0 "[ . 1 . 2]" 1
963 1 57 GLN HB3 1 58 LEU HA . . 5.500 4.846 4.712 5.019 . 0 0 "[ . 1 . 2]" 1
964 1 57 GLN HB3 1 59 ILE MD . . 4.320 2.667 2.284 2.897 . 0 0 "[ . 1 . 2]" 1
965 1 57 GLN HB3 1 59 ILE HG12 . . 4.800 4.161 3.992 4.406 . 0 0 "[ . 1 . 2]" 1
966 1 57 GLN HB3 1 74 ILE MD . . 4.110 2.981 2.708 3.408 . 0 0 "[ . 1 . 2]" 1
967 1 57 GLN HE21 1 57 GLN HG2 . . 3.160 2.388 2.129 3.015 . 0 0 "[ . 1 . 2]" 1
968 1 57 GLN HE21 1 74 ILE MD . . 4.590 3.939 3.459 4.216 . 0 0 "[ . 1 . 2]" 1
969 1 57 GLN HE21 1 74 ILE MG . . 3.510 2.670 2.002 3.426 . 0 0 "[ . 1 . 2]" 1
970 1 57 GLN HE22 1 57 GLN HG2 . . 3.800 3.547 3.441 3.826 0.026 8 0 "[ . 1 . 2]" 1
971 1 57 GLN HE22 1 58 LEU H . . 4.870 4.641 4.135 4.881 0.011 17 0 "[ . 1 . 2]" 1
972 1 57 GLN HE22 1 74 ILE MD . . 5.500 5.135 4.763 5.408 . 0 0 "[ . 1 . 2]" 1
973 1 57 GLN HE22 1 74 ILE MG . . 3.890 3.620 3.102 3.880 . 0 0 "[ . 1 . 2]" 1
974 1 57 GLN HG2 1 59 ILE MD . . 4.580 4.136 3.515 4.517 . 0 0 "[ . 1 . 2]" 1
975 1 57 GLN HG2 1 59 ILE HG12 . . 5.080 4.828 4.320 5.015 . 0 0 "[ . 1 . 2]" 1
976 1 57 GLN HG2 1 59 ILE HG13 . . 4.580 4.083 3.510 4.399 . 0 0 "[ . 1 . 2]" 1
977 1 57 GLN HG2 1 74 ILE HB . . 4.620 4.319 4.203 4.468 . 0 0 "[ . 1 . 2]" 1
978 1 57 GLN HG2 1 74 ILE MD . . 3.560 2.335 1.882 2.635 . 0 0 "[ . 1 . 2]" 1
979 1 57 GLN HG2 1 74 ILE MG . . 3.760 2.033 1.965 2.339 . 0 0 "[ . 1 . 2]" 1
980 1 57 GLN HG3 1 58 LEU H . . 3.460 1.949 1.888 2.131 . 0 0 "[ . 1 . 2]" 1
981 1 57 GLN HG3 1 59 ILE MD . . 5.140 4.314 3.932 4.700 . 0 0 "[ . 1 . 2]" 1
982 1 57 GLN HG3 1 59 ILE HG13 . . 4.580 3.583 3.013 3.980 . 0 0 "[ . 1 . 2]" 1
983 1 57 GLN HG3 1 74 ILE MG . . 3.540 1.947 1.775 2.193 . 0 0 "[ . 1 . 2]" 1
984 1 58 LEU H 1 58 LEU HB2 . . 3.170 3.069 2.996 3.147 . 0 0 "[ . 1 . 2]" 1
985 1 58 LEU H 1 58 LEU HB3 . . 2.950 2.166 2.134 2.204 . 0 0 "[ . 1 . 2]" 1
986 1 58 LEU H 1 58 LEU MD1 . . 4.410 4.211 4.136 4.327 . 0 0 "[ . 1 . 2]" 1
987 1 58 LEU H 1 58 LEU MD2 . . 4.280 4.202 4.072 4.267 . 0 0 "[ . 1 . 2]" 1
988 1 58 LEU H 1 58 LEU HG . . 4.090 4.026 3.960 4.091 0.001 6 0 "[ . 1 . 2]" 1
989 1 58 LEU H 1 59 ILE H . . 4.530 4.279 4.166 4.334 . 0 0 "[ . 1 . 2]" 1
990 1 58 LEU H 1 59 ILE HG13 . . 5.330 4.139 3.992 4.282 . 0 0 "[ . 1 . 2]" 1
991 1 58 LEU H 1 74 ILE MD . . 5.160 4.361 4.061 4.628 . 0 0 "[ . 1 . 2]" 1
992 1 58 LEU H 1 74 ILE MG . . 4.350 2.829 2.601 3.157 . 0 0 "[ . 1 . 2]" 1
993 1 58 LEU HA 1 58 LEU MD1 . . 3.370 2.316 2.075 2.479 . 0 0 "[ . 1 . 2]" 1
994 1 58 LEU HA 1 58 LEU HG . . 4.080 3.583 3.357 3.652 . 0 0 "[ . 1 . 2]" 1
995 1 58 LEU HA 1 59 ILE H . . 2.780 2.171 2.155 2.207 . 0 0 "[ . 1 . 2]" 1
996 1 58 LEU HB2 1 59 ILE H . . 4.410 4.239 4.174 4.347 . 0 0 "[ . 1 . 2]" 1
997 1 58 LEU HB3 1 59 ILE H . . 4.690 4.562 4.533 4.577 . 0 0 "[ . 1 . 2]" 1
998 1 58 LEU HG 1 59 ILE H . . 4.400 4.204 3.800 4.343 . 0 0 "[ . 1 . 2]" 1
999 1 58 LEU HG 1 59 ILE HA . . 4.170 3.864 3.597 3.993 . 0 0 "[ . 1 . 2]" 1
1000 1 58 LEU HG 1 59 ILE HG13 . . 5.240 5.095 4.835 5.244 0.004 15 0 "[ . 1 . 2]" 1
1001 1 58 LEU HG 1 74 ILE H . . 5.500 5.517 5.488 5.540 0.040 8 0 "[ . 1 . 2]" 1
1002 1 58 LEU HG 1 74 ILE HA . . 3.760 2.839 2.795 2.954 . 0 0 "[ . 1 . 2]" 1
1003 1 58 LEU HG 1 74 ILE MG . . 3.470 3.320 3.021 3.488 0.018 20 0 "[ . 1 . 2]" 1
1004 1 58 LEU HG 1 75 ASN H . . 5.010 3.405 3.086 3.647 . 0 0 "[ . 1 . 2]" 1
1005 1 59 ILE H 1 59 ILE HB . . 3.240 2.624 2.551 2.687 . 0 0 "[ . 1 . 2]" 1
1006 1 59 ILE H 1 59 ILE MD . . 4.100 3.880 3.763 3.977 . 0 0 "[ . 1 . 2]" 1
1007 1 59 ILE H 1 59 ILE HG12 . . 4.420 4.266 4.194 4.395 . 0 0 "[ . 1 . 2]" 1
1008 1 59 ILE H 1 59 ILE HG13 . . 4.280 3.017 2.908 3.150 . 0 0 "[ . 1 . 2]" 1
1009 1 59 ILE H 1 59 ILE MG . . 4.230 3.823 3.772 3.855 . 0 0 "[ . 1 . 2]" 1
1010 1 59 ILE H 1 60 ASN H . . 4.610 4.343 4.232 4.395 . 0 0 "[ . 1 . 2]" 1
1011 1 59 ILE HA 1 59 ILE MD . . 4.280 3.852 3.816 3.879 . 0 0 "[ . 1 . 2]" 1
1012 1 59 ILE HA 1 59 ILE HG12 . . 3.400 2.673 2.594 2.766 . 0 0 "[ . 1 . 2]" 1
1013 1 59 ILE HA 1 59 ILE HG13 . . 3.630 2.730 2.547 2.821 . 0 0 "[ . 1 . 2]" 1
1014 1 59 ILE HA 1 59 ILE MG . . 3.330 2.409 2.357 2.479 . 0 0 "[ . 1 . 2]" 1
1015 1 59 ILE HA 1 60 ASN H . . 2.880 2.160 2.141 2.178 . 0 0 "[ . 1 . 2]" 1
1016 1 59 ILE HA 1 60 ASN HA . . 4.800 4.396 4.390 4.400 . 0 0 "[ . 1 . 2]" 1
1017 1 59 ILE HA 1 60 ASN QB . . 4.480 4.262 4.025 4.506 0.026 18 0 "[ . 1 . 2]" 1
1018 1 59 ILE HA 1 73 GLU H . . 4.800 3.232 2.830 3.575 . 0 0 "[ . 1 . 2]" 1
1019 1 59 ILE HA 1 74 ILE HB . . 5.500 5.476 5.367 5.533 0.033 8 0 "[ . 1 . 2]" 1
1020 1 59 ILE HA 1 74 ILE MD . . 4.280 3.849 3.610 4.094 . 0 0 "[ . 1 . 2]" 1
1021 1 59 ILE HA 1 81 PHE QE . . 4.810 4.612 4.445 4.822 0.012 3 0 "[ . 1 . 2]" 1
1022 1 59 ILE HB 1 59 ILE MD . . 3.170 2.235 2.109 2.376 . 0 0 "[ . 1 . 2]" 1
1023 1 59 ILE HB 1 60 ASN H . . 4.390 4.204 4.086 4.357 . 0 0 "[ . 1 . 2]" 1
1024 1 59 ILE HB 1 72 GLY HA3 . . 5.500 4.785 4.619 4.930 . 0 0 "[ . 1 . 2]" 1
1025 1 59 ILE HB 1 86 VAL MG1 . . 3.630 3.563 3.366 3.637 0.007 12 0 "[ . 1 . 2]" 1
1026 1 59 ILE MD 1 59 ILE MG . . 3.050 2.288 2.111 2.435 . 0 0 "[ . 1 . 2]" 1
1027 1 59 ILE MD 1 60 ASN H . . 5.400 5.153 5.053 5.310 . 0 0 "[ . 1 . 2]" 1
1028 1 59 ILE MD 1 74 ILE MD . . 3.630 2.609 2.135 2.914 . 0 0 "[ . 1 . 2]" 1
1029 1 59 ILE MD 1 74 ILE MG . . 4.770 4.377 4.150 4.587 . 0 0 "[ . 1 . 2]" 1
1030 1 59 ILE MD 1 81 PHE HZ . . 4.800 4.028 3.675 4.495 . 0 0 "[ . 1 . 2]" 1
1031 1 59 ILE MD 1 86 VAL MG1 . . 3.170 2.285 1.971 2.542 . 0 0 "[ . 1 . 2]" 1
1032 1 59 ILE MD 1 86 VAL MG2 . . 5.080 4.339 3.934 4.643 . 0 0 "[ . 1 . 2]" 1
1033 1 59 ILE HG12 1 59 ILE MG . . 3.330 2.193 2.104 2.311 . 0 0 "[ . 1 . 2]" 1
1034 1 59 ILE HG12 1 60 ASN H . . 4.710 4.335 4.202 4.473 . 0 0 "[ . 1 . 2]" 1
1035 1 59 ILE HG12 1 81 PHE QE . . 3.240 3.230 3.155 3.251 0.011 19 0 "[ . 1 . 2]" 1
1036 1 59 ILE HG13 1 59 ILE MG . . 3.630 3.166 3.144 3.185 . 0 0 "[ . 1 . 2]" 1
1037 1 59 ILE HG13 1 60 ASN H . . 4.990 4.793 4.634 4.887 . 0 0 "[ . 1 . 2]" 1
1038 1 59 ILE HG13 1 74 ILE MD . . 3.400 2.610 2.291 2.875 . 0 0 "[ . 1 . 2]" 1
1039 1 59 ILE MG 1 60 ASN H . . 3.310 2.358 2.149 2.920 . 0 0 "[ . 1 . 2]" 1
1040 1 59 ILE MG 1 60 ASN HA . . 4.800 3.585 3.497 3.710 . 0 0 "[ . 1 . 2]" 1
1041 1 59 ILE MG 1 61 VAL H . . 4.760 3.410 3.254 3.647 . 0 0 "[ . 1 . 2]" 1
1042 1 59 ILE MG 1 61 VAL HA . . 4.280 3.677 3.606 3.772 . 0 0 "[ . 1 . 2]" 1
1043 1 59 ILE MG 1 61 VAL MG2 . . 3.810 2.870 2.683 3.112 . 0 0 "[ . 1 . 2]" 1
1044 1 59 ILE MG 1 72 GLY H . . 4.700 3.735 3.629 3.866 . 0 0 "[ . 1 . 2]" 1
1045 1 59 ILE MG 1 72 GLY HA2 . . 3.870 3.188 2.967 3.372 . 0 0 "[ . 1 . 2]" 1
1046 1 59 ILE MG 1 72 GLY HA3 . . 3.530 1.938 1.849 2.077 . 0 0 "[ . 1 . 2]" 1
1047 1 59 ILE MG 1 73 GLU H . . 3.350 2.913 2.371 3.333 . 0 0 "[ . 1 . 2]" 1
1048 1 59 ILE MG 1 73 GLU HG2 . . 5.500 5.186 4.569 5.568 0.068 17 0 "[ . 1 . 2]" 1
1049 1 59 ILE MG 1 73 GLU HG3 . . 5.500 4.883 4.058 5.500 . 0 0 "[ . 1 . 2]" 1
1050 1 59 ILE MG 1 74 ILE MD . . 3.930 3.593 3.447 3.767 . 0 0 "[ . 1 . 2]" 1
1051 1 59 ILE MG 1 74 ILE HG12 . . 5.500 3.850 3.684 4.064 . 0 0 "[ . 1 . 2]" 1
1052 1 59 ILE MG 1 74 ILE QG . . 4.760 3.473 3.258 3.688 . 0 0 "[ . 1 . 2]" 1
1053 1 59 ILE MG 1 74 ILE HG13 . . 5.500 3.972 3.620 4.397 . 0 0 "[ . 1 . 2]" 1
1054 1 59 ILE MG 1 81 PHE QD . . 4.280 3.718 3.579 3.863 . 0 0 "[ . 1 . 2]" 1
1055 1 59 ILE MG 1 81 PHE HZ . . 3.760 2.027 1.891 2.205 . 0 0 "[ . 1 . 2]" 1
1056 1 59 ILE MG 1 86 VAL MG1 . . 3.720 2.947 2.518 3.191 . 0 0 "[ . 1 . 2]" 1
1057 1 60 ASN H 1 60 ASN HB2 . . 3.830 2.613 2.366 2.768 . 0 0 "[ . 1 . 2]" 1
1058 1 60 ASN H 1 60 ASN QB . . 3.100 2.529 2.333 2.705 . 0 0 "[ . 1 . 2]" 1
1059 1 60 ASN H 1 60 ASN HB3 . . 3.830 3.524 2.882 3.809 . 0 0 "[ . 1 . 2]" 1
1060 1 60 ASN H 1 60 ASN QD . . 4.810 4.423 3.567 4.733 . 0 0 "[ . 1 . 2]" 1
1061 1 60 ASN H 1 61 VAL H . . 4.880 4.055 3.941 4.155 . 0 0 "[ . 1 . 2]" 1
1062 1 60 ASN H 1 72 GLY HA2 . . 5.030 3.557 3.397 3.816 . 0 0 "[ . 1 . 2]" 1
1063 1 60 ASN H 1 73 GLU H . . 3.690 1.919 1.790 2.183 . 0 0 "[ . 1 . 2]" 1
1064 1 60 ASN H 1 73 GLU HG2 . . 4.630 3.513 2.724 4.151 . 0 0 "[ . 1 . 2]" 1
1065 1 60 ASN H 1 73 GLU QG . . 3.960 2.780 2.353 3.197 . 0 0 "[ . 1 . 2]" 1
1066 1 60 ASN H 1 73 GLU HG3 . . 4.630 3.121 2.368 3.714 . 0 0 "[ . 1 . 2]" 1
1067 1 60 ASN HA 1 60 ASN QD . . 4.480 3.372 2.119 4.120 . 0 0 "[ . 1 . 2]" 1
1068 1 60 ASN HA 1 60 ASN HD22 . . 5.140 4.187 3.370 4.797 . 0 0 "[ . 1 . 2]" 1
1069 1 60 ASN HA 1 61 VAL H . . 2.900 2.179 2.150 2.205 . 0 0 "[ . 1 . 2]" 1
1070 1 60 ASN HA 1 61 VAL HA . . 4.800 4.455 4.419 4.479 . 0 0 "[ . 1 . 2]" 1
1071 1 60 ASN HA 1 61 VAL HB . . 4.800 4.643 4.595 4.681 . 0 0 "[ . 1 . 2]" 1
1072 1 60 ASN HA 1 61 VAL MG2 . . 4.080 3.741 3.634 3.897 . 0 0 "[ . 1 . 2]" 1
1073 1 60 ASN HA 1 72 GLY HA2 . . 5.500 4.893 4.802 4.977 . 0 0 "[ . 1 . 2]" 1
1074 1 60 ASN QB 1 60 ASN QD . . 3.040 2.241 2.065 2.620 . 0 0 "[ . 1 . 2]" 1
1075 1 60 ASN QB 1 61 VAL H . . 4.140 3.695 3.536 3.922 . 0 0 "[ . 1 . 2]" 1
1076 1 60 ASN QB 1 73 GLU H . . 3.830 3.132 2.787 3.476 . 0 0 "[ . 1 . 2]" 1
1077 1 60 ASN QB 1 73 GLU QG . . 3.670 2.093 1.942 2.449 . 0 0 "[ . 1 . 2]" 1
1078 1 60 ASN HB2 1 61 VAL H . . 4.730 4.490 4.357 4.605 . 0 0 "[ . 1 . 2]" 1
1079 1 60 ASN HB3 1 61 VAL H . . 4.730 3.936 3.697 4.250 . 0 0 "[ . 1 . 2]" 1
1080 1 61 VAL H 1 61 VAL HB . . 3.070 2.609 2.541 2.657 . 0 0 "[ . 1 . 2]" 1
1081 1 61 VAL H 1 61 VAL MG1 . . 3.940 3.762 3.760 3.765 . 0 0 "[ . 1 . 2]" 1
1082 1 61 VAL H 1 61 VAL MG2 . . 3.180 2.005 1.877 2.204 . 0 0 "[ . 1 . 2]" 1
1083 1 61 VAL H 1 62 MET H . . 4.930 4.509 4.424 4.560 . 0 0 "[ . 1 . 2]" 1
1084 1 61 VAL H 1 81 PHE QE . . 5.500 5.512 5.503 5.526 0.026 19 0 "[ . 1 . 2]" 1
1085 1 61 VAL HA 1 61 VAL MG1 . . 3.370 2.383 2.247 2.456 . 0 0 "[ . 1 . 2]" 1
1086 1 61 VAL HA 1 61 VAL MG2 . . 3.350 2.391 2.308 2.444 . 0 0 "[ . 1 . 2]" 1
1087 1 61 VAL HA 1 62 MET H . . 3.050 2.146 2.141 2.158 . 0 0 "[ . 1 . 2]" 1
1088 1 61 VAL HA 1 63 ASN H . . 3.810 3.794 3.710 3.839 0.029 16 0 "[ . 1 . 2]" 1
1089 1 61 VAL HA 1 71 GLN H . . 4.780 4.026 3.791 4.232 . 0 0 "[ . 1 . 2]" 1
1090 1 61 VAL HA 1 72 GLY H . . 4.700 4.532 4.443 4.633 . 0 0 "[ . 1 . 2]" 1
1091 1 61 VAL HA 1 72 GLY HA2 . . 3.670 2.704 2.492 2.891 . 0 0 "[ . 1 . 2]" 1
1092 1 61 VAL HA 1 72 GLY HA3 . . 3.930 3.360 3.220 3.559 . 0 0 "[ . 1 . 2]" 1
1093 1 61 VAL HA 1 73 GLU H . . 4.870 4.740 4.519 4.853 . 0 0 "[ . 1 . 2]" 1
1094 1 61 VAL HA 1 81 PHE HZ . . 4.800 3.491 3.356 3.613 . 0 0 "[ . 1 . 2]" 1
1095 1 61 VAL HB 1 62 MET H . . 4.800 4.216 4.121 4.345 . 0 0 "[ . 1 . 2]" 1
1096 1 61 VAL HB 1 64 LYS HB3 . . 5.500 4.404 4.182 4.670 . 0 0 "[ . 1 . 2]" 1
1097 1 61 VAL HB 1 70 TRP HE3 . . 5.460 5.205 4.531 5.472 0.012 1 0 "[ . 1 . 2]" 1
1098 1 61 VAL MG1 1 62 MET H . . 3.670 2.591 2.405 2.895 . 0 0 "[ . 1 . 2]" 1
1099 1 61 VAL MG1 1 63 ASN H . . 3.230 2.792 2.594 3.109 . 0 0 "[ . 1 . 2]" 1
1100 1 61 VAL MG1 1 63 ASN HA . . 4.410 3.987 3.835 4.334 . 0 0 "[ . 1 . 2]" 1
1101 1 61 VAL MG1 1 64 LYS HA . . 4.200 3.470 3.322 3.606 . 0 0 "[ . 1 . 2]" 1
1102 1 61 VAL MG1 1 64 LYS HB3 . . 3.500 1.991 1.812 2.185 . 0 0 "[ . 1 . 2]" 1
1103 1 61 VAL MG1 1 64 LYS QE . . 4.450 3.323 2.139 4.389 . 0 0 "[ . 1 . 2]" 1
1104 1 61 VAL MG1 1 70 TRP H . . 5.500 5.463 5.280 5.523 0.023 19 0 "[ . 1 . 2]" 1
1105 1 61 VAL MG1 1 70 TRP HA . . 4.580 3.816 3.660 4.033 . 0 0 "[ . 1 . 2]" 1
1106 1 61 VAL MG1 1 70 TRP HB2 . . 4.280 3.631 3.511 3.811 . 0 0 "[ . 1 . 2]" 1
1107 1 61 VAL MG1 1 70 TRP HB3 . . 3.760 2.163 2.026 2.407 . 0 0 "[ . 1 . 2]" 1
1108 1 61 VAL MG1 1 70 TRP HD1 . . 4.820 4.167 3.942 4.684 . 0 0 "[ . 1 . 2]" 1
1109 1 61 VAL MG1 1 70 TRP HE3 . . 3.760 3.611 2.786 3.765 0.005 20 0 "[ . 1 . 2]" 1
1110 1 61 VAL MG1 1 71 GLN H . . 3.770 2.968 2.637 3.215 . 0 0 "[ . 1 . 2]" 1
1111 1 61 VAL MG1 1 72 GLY HA2 . . 4.800 4.488 4.285 4.665 . 0 0 "[ . 1 . 2]" 1
1112 1 61 VAL MG1 1 81 PHE HZ . . 5.310 4.386 4.225 4.602 . 0 0 "[ . 1 . 2]" 1
1113 1 61 VAL MG2 1 62 MET H . . 4.190 4.095 4.030 4.143 . 0 0 "[ . 1 . 2]" 1
1114 1 61 VAL MG2 1 63 ASN H . . 5.100 5.051 4.966 5.114 0.014 4 0 "[ . 1 . 2]" 1
1115 1 61 VAL MG2 1 70 TRP HB2 . . 3.930 3.479 3.246 3.756 . 0 0 "[ . 1 . 2]" 1
1116 1 61 VAL MG2 1 70 TRP HB3 . . 4.150 2.794 2.458 3.141 . 0 0 "[ . 1 . 2]" 1
1117 1 61 VAL MG2 1 70 TRP HE3 . . 3.600 2.569 2.150 2.824 . 0 0 "[ . 1 . 2]" 1
1118 1 61 VAL MG2 1 71 GLN H . . 5.240 4.253 3.968 4.500 . 0 0 "[ . 1 . 2]" 1
1119 1 61 VAL MG2 1 72 GLY H . . 5.500 5.129 4.946 5.338 . 0 0 "[ . 1 . 2]" 1
1120 1 61 VAL MG2 1 72 GLY HA2 . . 4.800 4.212 3.994 4.410 . 0 0 "[ . 1 . 2]" 1
1121 1 61 VAL MG2 1 72 GLY HA3 . . 5.500 3.946 3.773 4.205 . 0 0 "[ . 1 . 2]" 1
1122 1 61 VAL MG2 1 81 PHE HZ . . 3.760 3.047 2.884 3.186 . 0 0 "[ . 1 . 2]" 1
1123 1 62 MET H 1 62 MET HB2 . . 3.940 2.699 2.523 3.698 . 0 0 "[ . 1 . 2]" 1
1124 1 62 MET H 1 62 MET QB . . 3.360 2.615 2.481 3.020 . 0 0 "[ . 1 . 2]" 1
1125 1 62 MET H 1 62 MET HB3 . . 3.940 3.704 3.203 3.809 . 0 0 "[ . 1 . 2]" 1
1126 1 62 MET H 1 62 MET ME . . 5.140 4.921 4.399 5.118 . 0 0 "[ . 1 . 2]" 1
1127 1 62 MET H 1 62 MET HG2 . . 4.670 3.306 2.457 4.088 . 0 0 "[ . 1 . 2]" 1
1128 1 62 MET H 1 62 MET QG . . 4.050 2.490 2.119 2.699 . 0 0 "[ . 1 . 2]" 1
1129 1 62 MET H 1 62 MET HG3 . . 4.670 2.903 2.275 3.630 . 0 0 "[ . 1 . 2]" 1
1130 1 62 MET H 1 63 ASN H . . 3.080 2.049 1.902 2.254 . 0 0 "[ . 1 . 2]" 1
1131 1 62 MET H 1 64 LYS H . . 5.500 5.403 4.922 5.513 0.013 20 0 "[ . 1 . 2]" 1
1132 1 62 MET H 1 71 GLN H . . 4.800 3.822 3.627 3.958 . 0 0 "[ . 1 . 2]" 1
1133 1 62 MET H 1 71 GLN HB2 . . 5.400 5.177 5.001 5.316 . 0 0 "[ . 1 . 2]" 1
1134 1 62 MET H 1 71 GLN HG2 . . 4.450 4.064 3.779 4.365 . 0 0 "[ . 1 . 2]" 1
1135 1 62 MET H 1 72 GLY H . . 5.080 4.819 4.744 4.930 . 0 0 "[ . 1 . 2]" 1
1136 1 62 MET H 1 72 GLY HA2 . . 3.750 3.049 2.881 3.221 . 0 0 "[ . 1 . 2]" 1
1137 1 62 MET H 1 72 GLY HA3 . . 4.550 4.454 4.330 4.569 0.019 19 0 "[ . 1 . 2]" 1
1138 1 62 MET H 1 73 GLU H . . 5.500 5.323 5.046 5.513 0.013 19 0 "[ . 1 . 2]" 1
1139 1 62 MET HA 1 62 MET ME . . 4.500 4.329 3.922 4.518 0.018 14 0 "[ . 1 . 2]" 1
1140 1 62 MET QB 1 63 ASN H . . 3.460 2.697 2.531 3.386 . 0 0 "[ . 1 . 2]" 1
1141 1 62 MET QB 1 63 ASN QB . . 4.570 3.335 3.200 3.794 . 0 0 "[ . 1 . 2]" 1
1142 1 62 MET HB2 1 63 ASN H . . 4.000 2.758 2.575 3.627 . 0 0 "[ . 1 . 2]" 1
1143 1 62 MET HB3 1 63 ASN H . . 4.000 3.868 3.724 4.057 0.057 4 0 "[ . 1 . 2]" 1
1144 1 62 MET ME 1 71 GLN QE . . 5.340 5.038 4.474 5.311 . 0 0 "[ . 1 . 2]" 1
1145 1 62 MET ME 1 78 THR HB . . 5.500 5.451 5.258 5.517 0.017 1 0 "[ . 1 . 2]" 1
1146 1 62 MET ME 1 78 THR MG . . 3.930 3.469 3.194 3.790 . 0 0 "[ . 1 . 2]" 1
1147 1 62 MET QG 1 72 GLY HA2 . . 4.450 2.942 2.588 3.174 . 0 0 "[ . 1 . 2]" 1
1148 1 62 MET QG 1 73 GLU H . . 4.730 4.029 3.752 4.316 . 0 0 "[ . 1 . 2]" 1
1149 1 62 MET HG2 1 63 ASN H . . 5.500 4.635 3.340 5.127 . 0 0 "[ . 1 . 2]" 1
1150 1 62 MET HG2 1 72 GLY HA2 . . 5.130 3.982 2.646 4.882 . 0 0 "[ . 1 . 2]" 1
1151 1 62 MET HG2 1 73 GLU H . . 5.450 4.923 3.888 5.456 0.006 3 0 "[ . 1 . 2]" 1
1152 1 62 MET HG3 1 63 ASN H . . 5.500 4.187 1.896 4.723 . 0 0 "[ . 1 . 2]" 1
1153 1 62 MET HG3 1 72 GLY HA2 . . 5.130 3.315 2.761 3.936 . 0 0 "[ . 1 . 2]" 1
1154 1 62 MET HG3 1 73 GLU H . . 5.450 4.479 4.118 5.458 0.008 4 0 "[ . 1 . 2]" 1
1155 1 63 ASN H 1 63 ASN HB2 . . 3.910 2.931 2.533 3.237 . 0 0 "[ . 1 . 2]" 1
1156 1 63 ASN H 1 63 ASN QB . . 3.380 2.625 2.487 2.733 . 0 0 "[ . 1 . 2]" 1
1157 1 63 ASN H 1 63 ASN HB3 . . 3.910 3.142 2.794 3.699 . 0 0 "[ . 1 . 2]" 1
1158 1 63 ASN H 1 64 LYS H . . 4.530 3.909 3.706 3.995 . 0 0 "[ . 1 . 2]" 1
1159 1 63 ASN H 1 70 TRP HA . . 5.500 5.199 5.054 5.381 . 0 0 "[ . 1 . 2]" 1
1160 1 63 ASN H 1 70 TRP HB3 . . 5.140 4.911 4.582 5.129 . 0 0 "[ . 1 . 2]" 1
1161 1 63 ASN H 1 71 GLN H . . 3.670 3.217 3.046 3.392 . 0 0 "[ . 1 . 2]" 1
1162 1 63 ASN H 1 71 GLN HA . . 5.500 5.001 4.751 5.149 . 0 0 "[ . 1 . 2]" 1
1163 1 63 ASN H 1 71 GLN HB2 . . 4.430 4.275 4.074 4.433 0.003 13 0 "[ . 1 . 2]" 1
1164 1 63 ASN H 1 71 GLN HB3 . . 3.520 2.607 2.409 2.819 . 0 0 "[ . 1 . 2]" 1
1165 1 63 ASN H 1 72 GLY HA2 . . 4.990 4.755 4.371 4.929 . 0 0 "[ . 1 . 2]" 1
1166 1 63 ASN HA 1 63 ASN HD21 . . 4.460 3.011 2.404 4.015 . 0 0 "[ . 1 . 2]" 1
1167 1 63 ASN HA 1 63 ASN QD . . 3.840 2.890 2.361 3.719 . 0 0 "[ . 1 . 2]" 1
1168 1 63 ASN HA 1 63 ASN HD22 . . 4.460 3.816 3.456 4.391 . 0 0 "[ . 1 . 2]" 1
1169 1 63 ASN HA 1 64 LYS H . . 2.840 2.178 2.153 2.295 . 0 0 "[ . 1 . 2]" 1
1170 1 63 ASN HA 1 64 LYS QG . . 4.690 3.996 3.756 4.133 . 0 0 "[ . 1 . 2]" 1
1171 1 63 ASN HA 1 65 ASP H . . 4.390 3.682 3.303 3.853 . 0 0 "[ . 1 . 2]" 1
1172 1 63 ASN QB 1 63 ASN QD . . 2.970 2.243 2.068 2.365 . 0 0 "[ . 1 . 2]" 1
1173 1 63 ASN QB 1 64 LYS H . . 4.130 3.852 3.594 3.992 . 0 0 "[ . 1 . 2]" 1
1174 1 63 ASN QB 1 71 GLN H . . 4.170 3.992 3.561 4.181 0.011 14 0 "[ . 1 . 2]" 1
1175 1 63 ASN QB 1 71 GLN HB2 . . 3.860 3.490 2.697 3.802 . 0 0 "[ . 1 . 2]" 1
1176 1 63 ASN QB 1 71 GLN HB3 . . 3.420 2.610 1.959 2.911 . 0 0 "[ . 1 . 2]" 1
1177 1 63 ASN HB2 1 64 LYS H . . 4.700 4.550 4.445 4.659 . 0 0 "[ . 1 . 2]" 1
1178 1 63 ASN HB2 1 71 GLN HB3 . . 4.170 3.404 2.301 4.104 . 0 0 "[ . 1 . 2]" 1
1179 1 63 ASN HB3 1 64 LYS H . . 4.700 4.177 3.765 4.396 . 0 0 "[ . 1 . 2]" 1
1180 1 63 ASN HB3 1 71 GLN HB3 . . 4.170 3.026 1.999 4.085 . 0 0 "[ . 1 . 2]" 1
1181 1 63 ASN QD 1 64 LYS H . . 4.950 4.054 3.332 4.952 0.002 6 0 "[ . 1 . 2]" 1
1182 1 63 ASN QD 1 65 ASP H . . 4.450 3.420 1.866 4.339 . 0 0 "[ . 1 . 2]" 1
1183 1 63 ASN QD 1 65 ASP QB . . 4.360 3.129 1.873 3.945 . 0 0 "[ . 1 . 2]" 1
1184 1 63 ASN HD21 1 65 ASP H . . 5.270 3.866 1.901 5.169 . 0 0 "[ . 1 . 2]" 1
1185 1 63 ASN HD22 1 65 ASP H . . 5.270 4.236 2.530 5.276 0.006 2 0 "[ . 1 . 2]" 1
1186 1 64 LYS H 1 64 LYS HB2 . . 4.140 3.737 3.681 3.790 . 0 0 "[ . 1 . 2]" 1
1187 1 64 LYS H 1 64 LYS QD . . 4.950 4.058 3.673 4.304 . 0 0 "[ . 1 . 2]" 1
1188 1 64 LYS H 1 64 LYS HG2 . . 3.590 2.336 2.013 2.577 . 0 0 "[ . 1 . 2]" 1
1189 1 64 LYS H 1 64 LYS HG3 . . 3.590 2.898 2.453 3.598 0.008 19 0 "[ . 1 . 2]" 1
1190 1 64 LYS H 1 65 ASP H . . 3.310 2.835 2.727 3.036 . 0 0 "[ . 1 . 2]" 1
1191 1 64 LYS H 1 65 ASP HA . . 5.140 4.405 4.316 4.535 . 0 0 "[ . 1 . 2]" 1
1192 1 64 LYS H 1 65 ASP QB . . 4.690 4.555 4.283 4.704 0.014 2 0 "[ . 1 . 2]" 1
1193 1 64 LYS H 1 66 ASP H . . 5.500 5.188 4.964 5.507 0.007 10 0 "[ . 1 . 2]" 1
1194 1 64 LYS H 1 71 GLN H . . 5.500 4.979 4.481 5.271 . 0 0 "[ . 1 . 2]" 1
1195 1 64 LYS HA 1 64 LYS QG . . 3.710 3.340 3.332 3.343 . 0 0 "[ . 1 . 2]" 1
1196 1 64 LYS HA 1 66 ASP H . . 4.440 3.429 3.121 3.748 . 0 0 "[ . 1 . 2]" 1
1197 1 64 LYS HA 1 70 TRP HA . . 3.930 2.697 2.339 2.983 . 0 0 "[ . 1 . 2]" 1
1198 1 64 LYS HA 1 70 TRP HB3 . . 4.800 3.789 3.498 4.118 . 0 0 "[ . 1 . 2]" 1
1199 1 64 LYS HA 1 70 TRP HD1 . . 4.840 2.287 2.074 2.685 . 0 0 "[ . 1 . 2]" 1
1200 1 64 LYS HA 1 70 TRP HE1 . . 4.000 3.851 3.412 4.013 0.013 19 0 "[ . 1 . 2]" 1
1201 1 64 LYS HA 1 71 GLN H . . 4.810 3.541 3.156 3.873 . 0 0 "[ . 1 . 2]" 1
1202 1 64 LYS HB2 1 64 LYS QD . . 3.670 2.398 2.079 2.798 . 0 0 "[ . 1 . 2]" 1
1203 1 64 LYS HB2 1 64 LYS HE2 . . 4.580 3.227 2.014 4.278 . 0 0 "[ . 1 . 2]" 1
1204 1 64 LYS HB2 1 64 LYS QE . . 3.720 2.752 1.988 3.636 . 0 0 "[ . 1 . 2]" 1
1205 1 64 LYS HB2 1 64 LYS HE3 . . 4.580 3.462 2.000 4.595 0.015 11 0 "[ . 1 . 2]" 1
1206 1 64 LYS HB2 1 65 ASP H . . 5.270 4.472 4.421 4.518 . 0 0 "[ . 1 . 2]" 1
1207 1 64 LYS HB2 1 70 TRP HE1 . . 3.970 2.412 2.293 2.711 . 0 0 "[ . 1 . 2]" 1
1208 1 64 LYS HB2 1 70 TRP HZ2 . . 4.410 4.020 3.685 4.322 . 0 0 "[ . 1 . 2]" 1
1209 1 64 LYS HB3 1 64 LYS HD2 . . 4.170 3.137 2.322 3.947 . 0 0 "[ . 1 . 2]" 1
1210 1 64 LYS HB3 1 64 LYS QD . . 3.560 2.707 2.285 3.170 . 0 0 "[ . 1 . 2]" 1
1211 1 64 LYS HB3 1 64 LYS HD3 . . 4.170 3.277 2.742 3.713 . 0 0 "[ . 1 . 2]" 1
1212 1 64 LYS HB3 1 64 LYS HE2 . . 4.800 3.723 2.182 4.510 . 0 0 "[ . 1 . 2]" 1
1213 1 64 LYS HB3 1 64 LYS QE . . 4.000 3.061 2.165 4.030 0.030 11 0 "[ . 1 . 2]" 1
1214 1 64 LYS HB3 1 64 LYS HE3 . . 4.800 3.612 2.307 4.691 . 0 0 "[ . 1 . 2]" 1
1215 1 64 LYS HB3 1 65 ASP H . . 5.270 4.614 4.566 4.651 . 0 0 "[ . 1 . 2]" 1
1216 1 64 LYS HB3 1 70 TRP HB3 . . 5.500 3.475 3.136 3.951 . 0 0 "[ . 1 . 2]" 1
1217 1 64 LYS HB3 1 70 TRP HE1 . . 4.460 3.988 3.803 4.426 . 0 0 "[ . 1 . 2]" 1
1218 1 64 LYS HB3 1 70 TRP HE3 . . 5.500 4.945 4.080 5.387 . 0 0 "[ . 1 . 2]" 1
1219 1 64 LYS QD 1 70 TRP HE1 . . 4.940 3.751 2.975 4.526 . 0 0 "[ . 1 . 2]" 1
1220 1 64 LYS QD 1 70 TRP HH2 . . 5.250 4.797 3.699 5.252 0.002 4 0 "[ . 1 . 2]" 1
1221 1 64 LYS QD 1 70 TRP HZ2 . . 4.360 3.780 3.305 4.365 0.005 9 0 "[ . 1 . 2]" 1
1222 1 64 LYS QD 1 88 MET ME . . 4.700 3.767 1.872 4.506 . 0 0 "[ . 1 . 2]" 1
1223 1 64 LYS QE 1 70 TRP HH2 . . 4.720 4.305 3.721 4.716 . 0 0 "[ . 1 . 2]" 1
1224 1 64 LYS QE 1 70 TRP HZ2 . . 4.360 3.511 2.639 4.098 . 0 0 "[ . 1 . 2]" 1
1225 1 64 LYS HE2 1 70 TRP HH2 . . 5.500 4.935 3.894 5.509 0.009 19 0 "[ . 1 . 2]" 1
1226 1 64 LYS HE2 1 70 TRP HZ2 . . 5.140 3.941 3.228 4.992 . 0 0 "[ . 1 . 2]" 1
1227 1 64 LYS HE3 1 70 TRP HH2 . . 5.500 4.996 3.783 5.517 0.017 16 0 "[ . 1 . 2]" 1
1228 1 64 LYS HE3 1 70 TRP HZ2 . . 5.140 4.214 2.688 5.109 . 0 0 "[ . 1 . 2]" 1
1229 1 64 LYS QG 1 65 ASP H . . 4.610 3.800 3.622 3.963 . 0 0 "[ . 1 . 2]" 1
1230 1 64 LYS QG 1 65 ASP HA . . 5.010 3.904 3.722 4.113 . 0 0 "[ . 1 . 2]" 1
1231 1 64 LYS HG2 1 65 ASP H . . 5.270 4.597 4.071 4.960 . 0 0 "[ . 1 . 2]" 1
1232 1 64 LYS HG3 1 65 ASP H . . 5.270 4.109 3.804 4.557 . 0 0 "[ . 1 . 2]" 1
1233 1 65 ASP H 1 65 ASP QB . . 3.230 2.311 2.131 2.689 . 0 0 "[ . 1 . 2]" 1
1234 1 65 ASP H 1 66 ASP H . . 3.640 2.820 2.646 3.086 . 0 0 "[ . 1 . 2]" 1
1235 1 65 ASP QB 1 66 ASP H . . 3.910 2.908 2.284 3.570 . 0 0 "[ . 1 . 2]" 1
1236 1 65 ASP HB2 1 66 ASP H . . 4.470 3.621 2.799 4.060 . 0 0 "[ . 1 . 2]" 1
1237 1 65 ASP HB3 1 66 ASP H . . 4.470 3.252 2.312 4.180 . 0 0 "[ . 1 . 2]" 1
1238 1 66 ASP H 1 66 ASP HB2 . . 3.500 2.406 2.254 2.623 . 0 0 "[ . 1 . 2]" 1
1239 1 66 ASP H 1 66 ASP HB3 . . 3.750 3.503 2.849 3.754 0.004 9 0 "[ . 1 . 2]" 1
1240 1 66 ASP H 1 69 TRP H . . 4.800 4.679 4.539 4.763 . 0 0 "[ . 1 . 2]" 1
1241 1 66 ASP H 1 70 TRP HD1 . . 5.500 3.759 3.403 4.092 . 0 0 "[ . 1 . 2]" 1
1242 1 66 ASP HA 1 67 PRO HD2 . . 2.840 2.031 1.986 2.108 . 0 0 "[ . 1 . 2]" 1
1243 1 66 ASP HA 1 67 PRO HD3 . . 3.240 2.286 2.258 2.313 . 0 0 "[ . 1 . 2]" 1
1244 1 66 ASP HA 1 67 PRO HG2 . . 4.550 4.218 4.183 4.278 . 0 0 "[ . 1 . 2]" 1
1245 1 66 ASP HA 1 67 PRO HG3 . . 4.940 4.318 4.314 4.334 . 0 0 "[ . 1 . 2]" 1
1246 1 66 ASP HA 1 68 ASP H . . 5.080 3.562 3.510 3.659 . 0 0 "[ . 1 . 2]" 1
1247 1 66 ASP HB2 1 68 ASP H . . 4.700 3.668 3.204 4.323 . 0 0 "[ . 1 . 2]" 1
1248 1 66 ASP HB2 1 69 TRP H . . 3.750 3.153 2.621 3.789 0.039 14 0 "[ . 1 . 2]" 1
1249 1 66 ASP HB2 1 69 TRP HB2 . . 4.410 3.857 3.479 4.164 . 0 0 "[ . 1 . 2]" 1
1250 1 66 ASP HB3 1 67 PRO HD2 . . 4.170 3.192 2.876 4.073 . 0 0 "[ . 1 . 2]" 1
1251 1 66 ASP HB3 1 68 ASP H . . 4.080 2.514 2.322 2.992 . 0 0 "[ . 1 . 2]" 1
1252 1 66 ASP HB3 1 69 TRP HD1 . . 5.440 5.207 4.879 5.438 . 0 0 "[ . 1 . 2]" 1
1253 1 67 PRO HA 1 83 SER QB . . 5.140 3.972 3.610 4.570 . 0 0 "[ . 1 . 2]" 1
1254 1 67 PRO QB 1 68 ASP H . . 3.900 3.712 3.582 3.740 . 0 0 "[ . 1 . 2]" 1
1255 1 67 PRO HD2 1 68 ASP H . . 3.670 3.018 2.835 3.065 . 0 0 "[ . 1 . 2]" 1
1256 1 67 PRO HD2 1 69 TRP H . . 5.080 4.904 4.487 5.081 0.001 2 0 "[ . 1 . 2]" 1
1257 1 67 PRO HG2 1 68 ASP H . . 3.810 3.331 3.034 3.399 . 0 0 "[ . 1 . 2]" 1
1258 1 68 ASP H 1 68 ASP HB2 . . 3.760 2.816 2.761 2.862 . 0 0 "[ . 1 . 2]" 1
1259 1 68 ASP H 1 68 ASP QB . . 3.190 2.732 2.684 2.767 . 0 0 "[ . 1 . 2]" 1
1260 1 68 ASP H 1 68 ASP HB3 . . 3.760 3.687 3.640 3.785 0.025 1 0 "[ . 1 . 2]" 1
1261 1 68 ASP H 1 69 TRP HB2 . . 4.800 4.655 4.323 4.803 0.003 5 0 "[ . 1 . 2]" 1
1262 1 68 ASP H 1 69 TRP HD1 . . 4.800 4.779 4.574 4.821 0.021 19 0 "[ . 1 . 2]" 1
1263 1 68 ASP HA 1 69 TRP HD1 . . 5.140 4.113 3.896 4.382 . 0 0 "[ . 1 . 2]" 1
1264 1 68 ASP HA 1 83 SER H . . 4.230 4.040 3.901 4.177 . 0 0 "[ . 1 . 2]" 1
1265 1 68 ASP HA 1 83 SER HB2 . . 5.500 5.248 3.509 5.507 0.007 19 0 "[ . 1 . 2]" 1
1266 1 68 ASP HA 1 83 SER QB . . 4.720 4.264 3.453 4.610 . 0 0 "[ . 1 . 2]" 1
1267 1 68 ASP HA 1 83 SER HB3 . . 5.500 4.590 3.525 5.134 . 0 0 "[ . 1 . 2]" 1
1268 1 68 ASP QB 1 69 TRP H . . 3.390 2.496 2.378 2.649 . 0 0 "[ . 1 . 2]" 1
1269 1 68 ASP QB 1 69 TRP HD1 . . 3.010 2.319 2.268 2.393 . 0 0 "[ . 1 . 2]" 1
1270 1 68 ASP QB 1 69 TRP HE1 . . 4.260 4.186 4.104 4.263 0.003 1 0 "[ . 1 . 2]" 1
1271 1 68 ASP HB2 1 69 TRP H . . 4.100 2.528 2.404 2.692 . 0 0 "[ . 1 . 2]" 1
1272 1 68 ASP HB2 1 69 TRP HD1 . . 3.530 2.438 2.348 2.501 . 0 0 "[ . 1 . 2]" 1
1273 1 68 ASP HB2 1 69 TRP HE1 . . 4.870 4.806 4.638 4.871 0.001 19 0 "[ . 1 . 2]" 1
1274 1 68 ASP HB3 1 69 TRP H . . 4.100 3.861 3.772 3.938 . 0 0 "[ . 1 . 2]" 1
1275 1 68 ASP HB3 1 69 TRP HD1 . . 3.530 2.912 2.815 3.051 . 0 0 "[ . 1 . 2]" 1
1276 1 68 ASP HB3 1 69 TRP HE1 . . 4.870 4.608 4.495 4.736 . 0 0 "[ . 1 . 2]" 1
1277 1 69 TRP H 1 69 TRP HB2 . . 3.250 2.548 2.466 2.614 . 0 0 "[ . 1 . 2]" 1
1278 1 69 TRP H 1 69 TRP HD1 . . 4.000 3.388 3.298 3.514 . 0 0 "[ . 1 . 2]" 1
1279 1 69 TRP HA 1 69 TRP HD1 . . 5.140 3.448 3.368 3.637 . 0 0 "[ . 1 . 2]" 1
1280 1 69 TRP HA 1 82 PRO HB2 . . 5.500 4.455 4.411 4.594 . 0 0 "[ . 1 . 2]" 1
1281 1 69 TRP HA 1 83 SER H . . 3.580 2.231 2.128 2.584 . 0 0 "[ . 1 . 2]" 1
1282 1 69 TRP HA 1 83 SER HA . . 4.800 4.315 4.245 4.598 . 0 0 "[ . 1 . 2]" 1
1283 1 69 TRP HA 1 83 SER HB2 . . 5.000 4.884 4.019 5.022 0.022 16 0 "[ . 1 . 2]" 1
1284 1 69 TRP HA 1 83 SER QB . . 4.140 3.406 3.287 4.049 . 0 0 "[ . 1 . 2]" 1
1285 1 69 TRP HA 1 83 SER HB3 . . 5.000 3.529 3.333 4.951 . 0 0 "[ . 1 . 2]" 1
1286 1 69 TRP HB2 1 69 TRP HD1 . . 3.290 2.859 2.772 2.895 . 0 0 "[ . 1 . 2]" 1
1287 1 69 TRP HB2 1 69 TRP HE1 . . 5.010 4.858 4.827 4.871 . 0 0 "[ . 1 . 2]" 1
1288 1 69 TRP HB3 1 69 TRP HE3 . . 3.470 2.418 2.407 2.463 . 0 0 "[ . 1 . 2]" 1
1289 1 69 TRP HB3 1 70 TRP H . . 3.770 3.023 2.910 3.183 . 0 0 "[ . 1 . 2]" 1
1290 1 69 TRP HB3 1 80 LEU HB3 . . 4.500 4.304 4.099 4.490 . 0 0 "[ . 1 . 2]" 1
1291 1 69 TRP HB3 1 80 LEU QD . . 3.730 3.544 3.297 3.735 0.005 4 0 "[ . 1 . 2]" 1
1292 1 69 TRP HB3 1 81 PHE H . . 4.500 3.960 3.734 4.227 . 0 0 "[ . 1 . 2]" 1
1293 1 69 TRP HE3 1 70 TRP H . . 4.280 3.816 3.673 4.067 . 0 0 "[ . 1 . 2]" 1
1294 1 69 TRP HE3 1 80 LEU HA . . 4.320 3.747 3.668 3.831 . 0 0 "[ . 1 . 2]" 1
1295 1 69 TRP HE3 1 80 LEU HB2 . . 4.290 4.173 3.979 4.287 . 0 0 "[ . 1 . 2]" 1
1296 1 69 TRP HE3 1 80 LEU HB3 . . 3.470 2.582 2.449 2.684 . 0 0 "[ . 1 . 2]" 1
1297 1 69 TRP HE3 1 80 LEU MD1 . . 4.410 4.225 4.072 4.360 . 0 0 "[ . 1 . 2]" 1
1298 1 69 TRP HE3 1 80 LEU MD2 . . 4.410 3.265 3.013 3.535 . 0 0 "[ . 1 . 2]" 1
1299 1 69 TRP HE3 1 81 PHE H . . 3.520 2.454 2.198 2.653 . 0 0 "[ . 1 . 2]" 1
1300 1 69 TRP HE3 1 81 PHE HA . . 4.200 3.097 2.967 3.270 . 0 0 "[ . 1 . 2]" 1
1301 1 69 TRP HE3 1 82 PRO HA . . 4.280 3.861 3.792 3.950 . 0 0 "[ . 1 . 2]" 1
1302 1 69 TRP HE3 1 82 PRO HD3 . . 4.280 4.083 3.956 4.218 . 0 0 "[ . 1 . 2]" 1
1303 1 69 TRP HH2 1 81 PHE HA . . 3.450 3.448 3.344 3.474 0.024 16 0 "[ . 1 . 2]" 1
1304 1 69 TRP HH2 1 82 PRO HB3 . . 5.100 4.846 4.753 5.010 . 0 0 "[ . 1 . 2]" 1
1305 1 69 TRP HH2 1 82 PRO HD3 . . 4.000 2.843 2.742 2.975 . 0 0 "[ . 1 . 2]" 1
1306 1 69 TRP HH2 1 82 PRO HG3 . . 4.690 4.513 4.360 4.691 0.001 18 0 "[ . 1 . 2]" 1
1307 1 69 TRP HZ2 1 82 PRO HB3 . . 5.140 3.692 3.568 4.085 . 0 0 "[ . 1 . 2]" 1
1308 1 69 TRP HZ2 1 82 PRO HD3 . . 5.140 3.488 3.388 3.733 . 0 0 "[ . 1 . 2]" 1
1309 1 69 TRP HZ2 1 82 PRO HG3 . . 5.140 4.122 3.955 4.530 . 0 0 "[ . 1 . 2]" 1
1310 1 69 TRP HZ3 1 80 LEU HB2 . . 5.140 3.423 3.142 3.553 . 0 0 "[ . 1 . 2]" 1
1311 1 69 TRP HZ3 1 80 LEU HB3 . . 5.140 2.815 2.624 2.950 . 0 0 "[ . 1 . 2]" 1
1312 1 69 TRP HZ3 1 80 LEU QD . . 4.550 3.971 3.852 4.073 . 0 0 "[ . 1 . 2]" 1
1313 1 69 TRP HZ3 1 81 PHE H . . 4.930 3.346 3.086 3.504 . 0 0 "[ . 1 . 2]" 1
1314 1 69 TRP HZ3 1 81 PHE HA . . 3.760 2.062 1.998 2.198 . 0 0 "[ . 1 . 2]" 1
1315 1 69 TRP HZ3 1 81 PHE HB3 . . 5.500 4.089 3.989 4.233 . 0 0 "[ . 1 . 2]" 1
1316 1 69 TRP HZ3 1 82 PRO HA . . 5.460 5.101 5.038 5.207 . 0 0 "[ . 1 . 2]" 1
1317 1 69 TRP HZ3 1 82 PRO HB3 . . 5.500 5.448 5.365 5.503 0.003 6 0 "[ . 1 . 2]" 1
1318 1 69 TRP HZ3 1 82 PRO HD2 . . 4.580 4.176 4.059 4.326 . 0 0 "[ . 1 . 2]" 1
1319 1 69 TRP HZ3 1 82 PRO HD3 . . 3.760 3.207 3.079 3.332 . 0 0 "[ . 1 . 2]" 1
1320 1 70 TRP H 1 70 TRP HB2 . . 3.430 2.567 2.478 2.611 . 0 0 "[ . 1 . 2]" 1
1321 1 70 TRP H 1 70 TRP HB3 . . 4.000 3.735 3.675 3.762 . 0 0 "[ . 1 . 2]" 1
1322 1 70 TRP H 1 71 GLN H . . 4.610 4.481 4.468 4.502 . 0 0 "[ . 1 . 2]" 1
1323 1 70 TRP H 1 80 LEU HA . . 5.500 5.456 5.378 5.522 0.022 16 0 "[ . 1 . 2]" 1
1324 1 70 TRP H 1 80 LEU QD . . 5.050 4.797 4.620 5.051 0.001 11 0 "[ . 1 . 2]" 1
1325 1 70 TRP H 1 81 PHE H . . 3.690 3.660 3.525 3.705 0.015 19 0 "[ . 1 . 2]" 1
1326 1 70 TRP H 1 81 PHE QD . . 5.140 3.034 2.964 3.113 . 0 0 "[ . 1 . 2]" 1
1327 1 70 TRP H 1 82 PRO HA . . 4.280 3.231 3.157 3.302 . 0 0 "[ . 1 . 2]" 1
1328 1 70 TRP H 1 83 SER H . . 4.070 3.385 3.266 3.516 . 0 0 "[ . 1 . 2]" 1
1329 1 70 TRP H 1 83 SER HA . . 4.520 3.838 3.720 3.974 . 0 0 "[ . 1 . 2]" 1
1330 1 70 TRP H 1 83 SER QB . . 4.600 3.503 3.341 4.434 . 0 0 "[ . 1 . 2]" 1
1331 1 70 TRP HA 1 70 TRP HD1 . . 4.810 2.113 2.080 2.232 . 0 0 "[ . 1 . 2]" 1
1332 1 70 TRP HA 1 70 TRP HE3 . . 5.460 5.210 5.159 5.223 . 0 0 "[ . 1 . 2]" 1
1333 1 70 TRP HA 1 71 GLN H . . 2.950 2.383 2.267 2.477 . 0 0 "[ . 1 . 2]" 1
1334 1 70 TRP HA 1 81 PHE QE . . 5.500 4.534 4.369 4.610 . 0 0 "[ . 1 . 2]" 1
1335 1 70 TRP HA 1 83 SER HA . . 5.500 5.507 5.457 5.532 0.032 19 0 "[ . 1 . 2]" 1
1336 1 70 TRP HB2 1 70 TRP HE3 . . 3.760 2.712 2.636 2.898 . 0 0 "[ . 1 . 2]" 1
1337 1 70 TRP HB2 1 71 GLN H . . 4.410 3.750 3.583 3.969 . 0 0 "[ . 1 . 2]" 1
1338 1 70 TRP HB2 1 81 PHE HZ . . 5.180 4.232 4.141 4.387 . 0 0 "[ . 1 . 2]" 1
1339 1 70 TRP HB2 1 82 PRO HA . . 5.500 5.209 4.988 5.348 . 0 0 "[ . 1 . 2]" 1
1340 1 70 TRP HB3 1 70 TRP HD1 . . 3.870 3.451 3.388 3.586 . 0 0 "[ . 1 . 2]" 1
1341 1 70 TRP HB3 1 70 TRP HE1 . . 5.240 5.088 5.061 5.145 . 0 0 "[ . 1 . 2]" 1
1342 1 70 TRP HB3 1 70 TRP HE3 . . 3.810 3.204 2.994 3.297 . 0 0 "[ . 1 . 2]" 1
1343 1 70 TRP HB3 1 71 GLN H . . 3.350 2.488 2.270 2.799 . 0 0 "[ . 1 . 2]" 1
1344 1 70 TRP HB3 1 81 PHE HZ . . 5.390 4.103 3.881 4.283 . 0 0 "[ . 1 . 2]" 1
1345 1 70 TRP HD1 1 71 GLN H . . 5.500 4.174 4.075 4.484 . 0 0 "[ . 1 . 2]" 1
1346 1 70 TRP HD1 1 83 SER QB . . 4.590 3.312 2.858 4.223 . 0 0 "[ . 1 . 2]" 1
1347 1 70 TRP HE1 1 83 SER HB2 . . 4.280 3.725 3.140 4.304 0.024 14 0 "[ . 1 . 2]" 1
1348 1 70 TRP HE1 1 83 SER HB3 . . 4.280 3.463 3.034 4.151 . 0 0 "[ . 1 . 2]" 1
1349 1 70 TRP HE3 1 83 SER HA . . 4.390 3.037 2.759 3.814 . 0 0 "[ . 1 . 2]" 1
1350 1 70 TRP HE3 1 83 SER HB2 . . 5.500 3.614 3.283 5.065 . 0 0 "[ . 1 . 2]" 1
1351 1 70 TRP HE3 1 83 SER QB . . 4.720 3.317 3.079 3.799 . 0 0 "[ . 1 . 2]" 1
1352 1 70 TRP HE3 1 83 SER HB3 . . 5.500 4.027 3.455 5.512 0.012 18 0 "[ . 1 . 2]" 1
1353 1 70 TRP HE3 1 86 VAL HB . . 5.390 4.468 4.307 4.736 . 0 0 "[ . 1 . 2]" 1
1354 1 70 TRP HE3 1 86 VAL MG2 . . 3.210 2.149 1.946 2.567 . 0 0 "[ . 1 . 2]" 1
1355 1 70 TRP HH2 1 83 SER QB . . 4.690 3.542 3.239 4.575 . 0 0 "[ . 1 . 2]" 1
1356 1 70 TRP HH2 1 86 VAL MG2 . . 4.690 4.204 3.996 4.473 . 0 0 "[ . 1 . 2]" 1
1357 1 70 TRP HH2 1 88 MET ME . . 3.870 3.136 1.877 3.800 . 0 0 "[ . 1 . 2]" 1
1358 1 70 TRP HH2 1 88 MET QG . . 5.010 3.881 2.806 4.987 . 0 0 "[ . 1 . 2]" 1
1359 1 70 TRP HZ2 1 83 SER HA . . 5.500 5.503 5.457 5.525 0.025 3 0 "[ . 1 . 2]" 1
1360 1 70 TRP HZ2 1 83 SER QB . . 4.170 3.174 3.064 3.701 . 0 0 "[ . 1 . 2]" 1
1361 1 70 TRP HZ2 1 88 MET ME . . 5.110 4.312 3.511 4.889 . 0 0 "[ . 1 . 2]" 1
1362 1 70 TRP HZ3 1 83 SER HA . . 5.500 4.127 3.845 4.918 . 0 0 "[ . 1 . 2]" 1
1363 1 70 TRP HZ3 1 83 SER QB . . 5.340 3.639 3.285 4.625 . 0 0 "[ . 1 . 2]" 1
1364 1 70 TRP HZ3 1 86 VAL HB . . 5.500 4.528 4.265 4.891 . 0 0 "[ . 1 . 2]" 1
1365 1 70 TRP HZ3 1 88 MET ME . . 4.280 3.625 2.144 4.267 . 0 0 "[ . 1 . 2]" 1
1366 1 70 TRP HZ3 1 88 MET QG . . 5.340 3.711 2.584 4.782 . 0 0 "[ . 1 . 2]" 1
1367 1 71 GLN H 1 71 GLN HB2 . . 3.810 3.025 2.868 3.144 . 0 0 "[ . 1 . 2]" 1
1368 1 71 GLN H 1 71 GLN HB3 . . 3.300 2.605 2.513 2.677 . 0 0 "[ . 1 . 2]" 1
1369 1 71 GLN H 1 71 GLN HG2 . . 4.710 4.451 4.384 4.500 . 0 0 "[ . 1 . 2]" 1
1370 1 71 GLN H 1 71 GLN HG3 . . 5.140 4.630 4.569 4.721 . 0 0 "[ . 1 . 2]" 1
1371 1 71 GLN H 1 72 GLY H . . 5.080 4.353 4.295 4.421 . 0 0 "[ . 1 . 2]" 1
1372 1 71 GLN H 1 80 LEU QD . . 5.090 4.686 4.468 4.854 . 0 0 "[ . 1 . 2]" 1
1373 1 71 GLN H 1 81 PHE QE . . 4.550 4.249 4.014 4.535 . 0 0 "[ . 1 . 2]" 1
1374 1 71 GLN HA 1 71 GLN HG2 . . 3.930 3.275 3.146 3.390 . 0 0 "[ . 1 . 2]" 1
1375 1 71 GLN HA 1 71 GLN HG3 . . 3.730 2.484 2.421 2.563 . 0 0 "[ . 1 . 2]" 1
1376 1 71 GLN HA 1 72 GLY H . . 2.870 2.151 2.143 2.159 . 0 0 "[ . 1 . 2]" 1
1377 1 71 GLN HA 1 72 GLY HA2 . . 5.500 4.400 4.393 4.408 . 0 0 "[ . 1 . 2]" 1
1378 1 71 GLN HA 1 72 GLY HA3 . . 5.140 4.358 4.348 4.371 . 0 0 "[ . 1 . 2]" 1
1379 1 71 GLN HA 1 79 GLY H . . 4.810 4.775 4.670 4.833 0.023 13 0 "[ . 1 . 2]" 1
1380 1 71 GLN HA 1 80 LEU HA . . 3.240 3.177 3.032 3.262 0.022 15 0 "[ . 1 . 2]" 1
1381 1 71 GLN HA 1 80 LEU QD . . 3.520 3.236 3.019 3.430 . 0 0 "[ . 1 . 2]" 1
1382 1 71 GLN HA 1 80 LEU HG . . 5.460 5.247 5.035 5.466 0.006 4 0 "[ . 1 . 2]" 1
1383 1 71 GLN HA 1 81 PHE H . . 4.410 3.592 3.344 3.769 . 0 0 "[ . 1 . 2]" 1
1384 1 71 GLN HA 1 81 PHE QE . . 5.500 3.862 3.633 3.987 . 0 0 "[ . 1 . 2]" 1
1385 1 71 GLN HB2 1 72 GLY H . . 4.330 4.254 4.194 4.295 . 0 0 "[ . 1 . 2]" 1
1386 1 71 GLN HB2 1 80 LEU HA . . 4.800 4.230 3.820 4.460 . 0 0 "[ . 1 . 2]" 1
1387 1 71 GLN HB2 1 80 LEU QD . . 4.150 2.707 2.423 2.863 . 0 0 "[ . 1 . 2]" 1
1388 1 71 GLN HB3 1 72 GLY H . . 4.800 4.219 4.172 4.284 . 0 0 "[ . 1 . 2]" 1
1389 1 71 GLN HB3 1 80 LEU QD . . 4.250 4.142 3.905 4.257 0.007 20 0 "[ . 1 . 2]" 1
1390 1 71 GLN QE 1 71 GLN HG2 . . 3.140 2.581 2.414 2.765 . 0 0 "[ . 1 . 2]" 1
1391 1 71 GLN QE 1 78 THR HB . . 4.510 2.648 2.354 2.860 . 0 0 "[ . 1 . 2]" 1
1392 1 71 GLN QE 1 78 THR MG . . 4.000 3.462 3.108 3.750 . 0 0 "[ . 1 . 2]" 1
1393 1 71 GLN QE 1 80 LEU QD . . 4.010 3.720 3.472 3.935 . 0 0 "[ . 1 . 2]" 1
1394 1 71 GLN HE21 1 78 THR MG . . 4.800 3.584 3.182 3.918 . 0 0 "[ . 1 . 2]" 1
1395 1 71 GLN HE21 1 80 LEU HG . . 5.500 5.121 4.633 5.497 . 0 0 "[ . 1 . 2]" 1
1396 1 71 GLN HE22 1 71 GLN HG2 . . 3.810 3.652 3.571 3.746 . 0 0 "[ . 1 . 2]" 1
1397 1 71 GLN HE22 1 78 THR MG . . 4.800 4.597 4.360 4.797 . 0 0 "[ . 1 . 2]" 1
1398 1 71 GLN HE22 1 80 LEU HG . . 5.500 5.373 5.107 5.502 0.002 20 0 "[ . 1 . 2]" 1
1399 1 71 GLN HG2 1 72 GLY H . . 4.280 3.378 3.120 3.585 . 0 0 "[ . 1 . 2]" 1
1400 1 71 GLN HG2 1 72 GLY HA2 . . 4.500 3.895 3.717 4.048 . 0 0 "[ . 1 . 2]" 1
1401 1 71 GLN HG2 1 78 THR MG . . 4.410 4.313 3.953 4.416 0.006 18 0 "[ . 1 . 2]" 1
1402 1 71 GLN HG2 1 79 GLY H . . 5.140 4.421 4.078 4.626 . 0 0 "[ . 1 . 2]" 1
1403 1 71 GLN HG2 1 80 LEU QD . . 4.470 4.340 4.174 4.466 . 0 0 "[ . 1 . 2]" 1
1404 1 71 GLN HG3 1 72 GLY H . . 3.730 2.993 2.829 3.183 . 0 0 "[ . 1 . 2]" 1
1405 1 71 GLN HG3 1 78 THR HB . . 4.280 4.095 3.870 4.230 . 0 0 "[ . 1 . 2]" 1
1406 1 71 GLN HG3 1 78 THR MG . . 4.950 4.762 4.571 4.949 . 0 0 "[ . 1 . 2]" 1
1407 1 71 GLN HG3 1 79 GLY H . . 4.280 3.481 3.223 3.639 . 0 0 "[ . 1 . 2]" 1
1408 1 71 GLN HG3 1 80 LEU HA . . 4.580 3.801 3.572 4.026 . 0 0 "[ . 1 . 2]" 1
1409 1 71 GLN HG3 1 80 LEU QD . . 3.700 3.021 2.793 3.194 . 0 0 "[ . 1 . 2]" 1
1410 1 72 GLY H 1 73 GLU H . . 4.700 4.429 4.388 4.464 . 0 0 "[ . 1 . 2]" 1
1411 1 72 GLY H 1 78 THR HA . . 4.990 4.960 4.848 5.003 0.013 8 0 "[ . 1 . 2]" 1
1412 1 72 GLY H 1 78 THR HB . . 5.500 5.486 5.379 5.518 0.018 3 0 "[ . 1 . 2]" 1
1413 1 72 GLY H 1 78 THR MG . . 5.460 5.331 5.181 5.463 0.003 16 0 "[ . 1 . 2]" 1
1414 1 72 GLY H 1 79 GLY H . . 3.760 3.747 3.662 3.785 0.025 17 0 "[ . 1 . 2]" 1
1415 1 72 GLY H 1 79 GLY HA3 . . 5.500 5.488 5.395 5.513 0.013 16 0 "[ . 1 . 2]" 1
1416 1 72 GLY H 1 80 LEU HA . . 4.370 4.197 3.986 4.360 . 0 0 "[ . 1 . 2]" 1
1417 1 72 GLY H 1 81 PHE H . . 4.930 4.694 4.477 4.940 0.010 4 0 "[ . 1 . 2]" 1
1418 1 72 GLY H 1 81 PHE QD . . 4.130 3.923 3.711 4.069 . 0 0 "[ . 1 . 2]" 1
1419 1 72 GLY H 1 81 PHE HZ . . 3.890 2.963 2.682 3.115 . 0 0 "[ . 1 . 2]" 1
1420 1 72 GLY HA2 1 73 GLU H . . 3.230 2.538 2.434 2.645 . 0 0 "[ . 1 . 2]" 1
1421 1 72 GLY HA2 1 73 GLU HB3 . . 4.960 4.288 4.211 4.375 . 0 0 "[ . 1 . 2]" 1
1422 1 72 GLY HA2 1 81 PHE HZ . . 3.930 3.346 3.114 3.589 . 0 0 "[ . 1 . 2]" 1
1423 1 72 GLY HA3 1 73 GLU H . . 3.350 2.591 2.484 2.701 . 0 0 "[ . 1 . 2]" 1
1424 1 72 GLY HA3 1 79 GLY H . . 5.500 5.467 5.333 5.525 0.025 9 0 "[ . 1 . 2]" 1
1425 1 72 GLY HA3 1 81 PHE HZ . . 3.530 2.064 1.995 2.250 . 0 0 "[ . 1 . 2]" 1
1426 1 73 GLU H 1 73 GLU HB2 . . 3.980 3.810 3.754 3.879 . 0 0 "[ . 1 . 2]" 1
1427 1 73 GLU H 1 73 GLU HG2 . . 3.840 2.798 2.105 3.730 . 0 0 "[ . 1 . 2]" 1
1428 1 73 GLU H 1 73 GLU QG . . 3.320 2.254 2.009 2.463 . 0 0 "[ . 1 . 2]" 1
1429 1 73 GLU H 1 73 GLU HG3 . . 3.840 2.725 2.021 3.200 . 0 0 "[ . 1 . 2]" 1
1430 1 73 GLU H 1 78 THR HA . . 5.240 5.139 5.091 5.209 . 0 0 "[ . 1 . 2]" 1
1431 1 73 GLU H 1 78 THR MG . . 4.730 4.719 4.639 4.751 0.021 3 0 "[ . 1 . 2]" 1
1432 1 73 GLU HA 1 74 ILE H . . 2.800 2.284 2.207 2.378 . 0 0 "[ . 1 . 2]" 1
1433 1 73 GLU HA 1 74 ILE HA . . 5.140 4.466 4.423 4.514 . 0 0 "[ . 1 . 2]" 1
1434 1 73 GLU HA 1 74 ILE HB . . 4.800 4.703 4.617 4.793 . 0 0 "[ . 1 . 2]" 1
1435 1 73 GLU HA 1 77 VAL H . . 4.530 4.455 4.120 4.541 0.011 20 0 "[ . 1 . 2]" 1
1436 1 73 GLU HA 1 78 THR H . . 4.800 4.818 4.785 4.868 0.068 12 0 "[ . 1 . 2]" 1
1437 1 73 GLU HA 1 78 THR HA . . 3.190 2.532 2.462 2.640 . 0 0 "[ . 1 . 2]" 1
1438 1 73 GLU HA 1 78 THR HB . . 4.690 4.550 4.427 4.704 0.014 3 0 "[ . 1 . 2]" 1
1439 1 73 GLU HA 1 78 THR MG . . 3.670 2.857 2.759 3.068 . 0 0 "[ . 1 . 2]" 1
1440 1 73 GLU HA 1 79 GLY H . . 4.170 4.055 3.926 4.159 . 0 0 "[ . 1 . 2]" 1
1441 1 73 GLU HB2 1 74 ILE H . . 3.390 2.762 2.540 3.007 . 0 0 "[ . 1 . 2]" 1
1442 1 73 GLU HB2 1 76 GLY H . . 4.190 3.816 3.565 4.091 . 0 0 "[ . 1 . 2]" 1
1443 1 73 GLU HB2 1 76 GLY HA2 . . 4.280 4.080 3.938 4.263 . 0 0 "[ . 1 . 2]" 1
1444 1 73 GLU HB2 1 77 VAL H . . 3.750 3.744 3.514 3.802 0.052 15 0 "[ . 1 . 2]" 1
1445 1 73 GLU HB2 1 78 THR HA . . 4.250 4.123 3.978 4.253 0.003 3 0 "[ . 1 . 2]" 1
1446 1 73 GLU HB2 1 78 THR MG . . 3.090 2.922 2.773 3.091 0.001 9 0 "[ . 1 . 2]" 1
1447 1 73 GLU HB3 1 74 ILE H . . 4.390 3.973 3.857 4.139 . 0 0 "[ . 1 . 2]" 1
1448 1 73 GLU HB3 1 78 THR HA . . 4.280 3.962 3.630 4.187 . 0 0 "[ . 1 . 2]" 1
1449 1 73 GLU HB3 1 78 THR MG . . 3.290 2.520 2.241 2.710 . 0 0 "[ . 1 . 2]" 1
1450 1 73 GLU QG 1 74 ILE H . . 4.910 3.880 3.466 4.403 . 0 0 "[ . 1 . 2]" 1
1451 1 74 ILE H 1 74 ILE HB . . 3.670 2.987 2.825 3.165 . 0 0 "[ . 1 . 2]" 1
1452 1 74 ILE H 1 74 ILE MD . . 4.800 4.130 3.893 4.393 . 0 0 "[ . 1 . 2]" 1
1453 1 74 ILE H 1 74 ILE QG . . 3.710 2.766 2.689 2.927 . 0 0 "[ . 1 . 2]" 1
1454 1 74 ILE H 1 74 ILE MG . . 4.250 3.987 3.929 4.040 . 0 0 "[ . 1 . 2]" 1
1455 1 74 ILE H 1 75 ASN H . . 4.390 3.869 3.794 3.995 . 0 0 "[ . 1 . 2]" 1
1456 1 74 ILE H 1 76 GLY H . . 4.390 3.932 3.540 4.202 . 0 0 "[ . 1 . 2]" 1
1457 1 74 ILE H 1 77 VAL H . . 3.390 2.616 2.244 2.831 . 0 0 "[ . 1 . 2]" 1
1458 1 74 ILE H 1 77 VAL HB . . 4.200 4.096 4.008 4.175 . 0 0 "[ . 1 . 2]" 1
1459 1 74 ILE H 1 77 VAL MG1 . . 3.860 1.910 1.857 2.070 . 0 0 "[ . 1 . 2]" 1
1460 1 74 ILE H 1 78 THR H . . 5.270 4.767 4.689 4.851 . 0 0 "[ . 1 . 2]" 1
1461 1 74 ILE H 1 78 THR HA . . 4.000 3.766 3.608 4.002 0.002 1 0 "[ . 1 . 2]" 1
1462 1 74 ILE H 1 78 THR MG . . 4.190 3.989 3.824 4.107 . 0 0 "[ . 1 . 2]" 1
1463 1 74 ILE HA 1 74 ILE MD . . 4.170 3.913 3.831 3.948 . 0 0 "[ . 1 . 2]" 1
1464 1 74 ILE HA 1 74 ILE MG . . 3.150 2.244 2.180 2.313 . 0 0 "[ . 1 . 2]" 1
1465 1 74 ILE HA 1 75 ASN H . . 2.820 2.172 2.140 2.207 . 0 0 "[ . 1 . 2]" 1
1466 1 74 ILE HB 1 74 ILE MD . . 3.330 2.308 2.148 2.411 . 0 0 "[ . 1 . 2]" 1
1467 1 74 ILE HB 1 75 ASN H . . 4.530 4.297 4.089 4.399 . 0 0 "[ . 1 . 2]" 1
1468 1 74 ILE HB 1 77 VAL H . . 5.140 4.194 3.962 4.360 . 0 0 "[ . 1 . 2]" 1
1469 1 74 ILE HB 1 77 VAL HB . . 4.840 4.105 3.795 4.357 . 0 0 "[ . 1 . 2]" 1
1470 1 74 ILE HB 1 77 VAL MG1 . . 3.810 2.018 1.785 2.279 . 0 0 "[ . 1 . 2]" 1
1471 1 74 ILE MG 1 75 ASN H . . 3.580 3.183 2.891 3.330 . 0 0 "[ . 1 . 2]" 1
1472 1 74 ILE MG 1 75 ASN QB . . 3.510 2.839 2.658 2.989 . 0 0 "[ . 1 . 2]" 1
1473 1 74 ILE MG 1 75 ASN HD21 . . 4.070 2.476 2.115 2.918 . 0 0 "[ . 1 . 2]" 1
1474 1 74 ILE MG 1 75 ASN QD . . 3.520 2.438 2.098 2.821 . 0 0 "[ . 1 . 2]" 1
1475 1 74 ILE MG 1 75 ASN HD22 . . 4.070 3.689 3.428 3.894 . 0 0 "[ . 1 . 2]" 1
1476 1 75 ASN H 1 75 ASN HA . . 2.800 2.275 2.274 2.277 . 0 0 "[ . 1 . 2]" 1
1477 1 75 ASN H 1 75 ASN QB . . 3.630 3.178 3.147 3.199 . 0 0 "[ . 1 . 2]" 1
1478 1 75 ASN H 1 75 ASN QD . . 4.950 3.549 2.614 4.140 . 0 0 "[ . 1 . 2]" 1
1479 1 75 ASN H 1 76 GLY H . . 3.520 2.753 2.671 2.831 . 0 0 "[ . 1 . 2]" 1
1480 1 75 ASN H 1 76 GLY HA2 . . 5.270 5.044 4.975 5.119 . 0 0 "[ . 1 . 2]" 1
1481 1 75 ASN H 1 77 VAL H . . 4.530 3.815 3.747 3.924 . 0 0 "[ . 1 . 2]" 1
1482 1 75 ASN H 1 77 VAL HB . . 5.500 5.520 5.472 5.544 0.044 13 0 "[ . 1 . 2]" 1
1483 1 75 ASN HA 1 75 ASN QD . . 4.530 3.511 2.833 3.838 . 0 0 "[ . 1 . 2]" 1
1484 1 75 ASN HA 1 75 ASN HD22 . . 5.270 4.163 3.702 4.410 . 0 0 "[ . 1 . 2]" 1
1485 1 75 ASN HA 1 76 GLY H . . 3.340 2.707 2.652 2.783 . 0 0 "[ . 1 . 2]" 1
1486 1 75 ASN HA 1 76 GLY HA2 . . 4.800 4.676 4.643 4.707 . 0 0 "[ . 1 . 2]" 1
1487 1 75 ASN HA 1 77 VAL H . . 4.800 4.198 4.089 4.450 . 0 0 "[ . 1 . 2]" 1
1488 1 75 ASN QB 1 75 ASN QD . . 2.880 2.143 2.062 2.402 . 0 0 "[ . 1 . 2]" 1
1489 1 75 ASN QB 1 77 VAL H . . 4.140 3.706 3.571 4.012 . 0 0 "[ . 1 . 2]" 1
1490 1 75 ASN QB 1 77 VAL MG1 . . 4.320 3.623 3.499 3.786 . 0 0 "[ . 1 . 2]" 1
1491 1 75 ASN HB2 1 76 GLY H . . 4.800 4.397 4.328 4.450 . 0 0 "[ . 1 . 2]" 1
1492 1 75 ASN HB2 1 77 VAL H . . 4.800 4.002 3.866 4.312 . 0 0 "[ . 1 . 2]" 1
1493 1 75 ASN HB3 1 76 GLY H . . 4.800 4.348 4.338 4.361 . 0 0 "[ . 1 . 2]" 1
1494 1 75 ASN HB3 1 77 VAL H . . 4.800 4.378 4.199 4.775 . 0 0 "[ . 1 . 2]" 1
1495 1 76 GLY H 1 77 VAL H . . 3.250 2.580 2.459 2.644 . 0 0 "[ . 1 . 2]" 1
1496 1 76 GLY H 1 77 VAL HB . . 5.040 4.935 4.778 5.002 . 0 0 "[ . 1 . 2]" 1
1497 1 76 GLY H 1 77 VAL MG1 . . 4.610 4.473 4.356 4.539 . 0 0 "[ . 1 . 2]" 1
1498 1 76 GLY HA2 1 77 VAL HB . . 5.500 5.351 5.224 5.405 . 0 0 "[ . 1 . 2]" 1
1499 1 76 GLY HA3 1 77 VAL HB . . 4.960 4.830 4.803 4.861 . 0 0 "[ . 1 . 2]" 1
1500 1 77 VAL H 1 77 VAL HB . . 2.790 2.596 2.510 2.729 . 0 0 "[ . 1 . 2]" 1
1501 1 77 VAL H 1 77 VAL MG1 . . 2.810 2.505 2.481 2.549 . 0 0 "[ . 1 . 2]" 1
1502 1 77 VAL H 1 78 THR H . . 4.660 4.504 4.331 4.549 . 0 0 "[ . 1 . 2]" 1
1503 1 77 VAL H 1 78 THR HA . . 5.140 5.072 4.899 5.136 . 0 0 "[ . 1 . 2]" 1
1504 1 77 VAL HA 1 77 VAL MG1 . . 3.150 3.143 3.134 3.148 . 0 0 "[ . 1 . 2]" 1
1505 1 77 VAL HA 1 78 THR H . . 2.640 2.235 2.144 2.271 . 0 0 "[ . 1 . 2]" 1
1506 1 77 VAL HA 1 78 THR HA . . 4.850 4.420 4.392 4.439 . 0 0 "[ . 1 . 2]" 1
1507 1 77 VAL HB 1 78 THR H . . 4.540 4.217 4.143 4.427 . 0 0 "[ . 1 . 2]" 1
1508 1 77 VAL MG1 1 78 THR H . . 3.590 3.247 3.062 3.579 . 0 0 "[ . 1 . 2]" 1
1509 1 77 VAL MG1 1 78 THR HA . . 4.580 3.417 3.326 3.547 . 0 0 "[ . 1 . 2]" 1
1510 1 78 THR H 1 78 THR HB . . 3.900 3.792 3.717 3.844 . 0 0 "[ . 1 . 2]" 1
1511 1 78 THR H 1 78 THR MG . . 3.500 3.039 2.820 3.183 . 0 0 "[ . 1 . 2]" 1
1512 1 78 THR H 1 79 GLY H . . 4.600 4.449 4.388 4.499 . 0 0 "[ . 1 . 2]" 1
1513 1 78 THR HA 1 78 THR MG . . 3.250 2.247 2.151 2.387 . 0 0 "[ . 1 . 2]" 1
1514 1 78 THR HA 1 79 GLY H . . 2.870 2.262 2.213 2.296 . 0 0 "[ . 1 . 2]" 1
1515 1 78 THR HA 1 79 GLY HA2 . . 5.240 4.486 4.447 4.511 . 0 0 "[ . 1 . 2]" 1
1516 1 78 THR HA 1 79 GLY HA3 . . 4.800 4.310 4.305 4.322 . 0 0 "[ . 1 . 2]" 1
1517 1 78 THR HB 1 79 GLY H . . 3.250 2.783 2.675 2.956 . 0 0 "[ . 1 . 2]" 1
1518 1 78 THR MG 1 79 GLY H . . 3.870 3.729 3.653 3.847 . 0 0 "[ . 1 . 2]" 1
1519 1 79 GLY H 1 80 LEU H . . 4.530 4.211 4.077 4.355 . 0 0 "[ . 1 . 2]" 1
1520 1 79 GLY HA2 1 80 LEU H . . 3.270 2.907 2.690 3.056 . 0 0 "[ . 1 . 2]" 1
1521 1 79 GLY HA2 1 80 LEU HA . . 5.140 4.535 4.435 4.598 . 0 0 "[ . 1 . 2]" 1
1522 1 79 GLY HA2 1 80 LEU QD . . 5.090 4.203 4.048 4.365 . 0 0 "[ . 1 . 2]" 1
1523 1 79 GLY HA2 1 80 LEU HG . . 4.800 3.681 3.466 3.910 . 0 0 "[ . 1 . 2]" 1
1524 1 79 GLY HA3 1 80 LEU H . . 3.340 2.278 2.187 2.443 . 0 0 "[ . 1 . 2]" 1
1525 1 79 GLY HA3 1 80 LEU HG . . 5.140 4.580 4.349 4.903 . 0 0 "[ . 1 . 2]" 1
1526 1 80 LEU H 1 80 LEU HB2 . . 3.110 2.642 2.474 2.734 . 0 0 "[ . 1 . 2]" 1
1527 1 80 LEU H 1 80 LEU HB3 . . 3.900 3.763 3.656 3.818 . 0 0 "[ . 1 . 2]" 1
1528 1 80 LEU H 1 80 LEU MD1 . . 4.400 4.221 4.068 4.338 . 0 0 "[ . 1 . 2]" 1
1529 1 80 LEU H 1 80 LEU QD . . 3.820 3.723 3.633 3.804 . 0 0 "[ . 1 . 2]" 1
1530 1 80 LEU H 1 80 LEU MD2 . . 4.400 4.141 4.036 4.223 . 0 0 "[ . 1 . 2]" 1
1531 1 80 LEU H 1 80 LEU HG . . 3.600 3.425 3.252 3.585 . 0 0 "[ . 1 . 2]" 1
1532 1 80 LEU H 1 81 PHE H . . 4.610 4.337 4.228 4.388 . 0 0 "[ . 1 . 2]" 1
1533 1 80 LEU HA 1 80 LEU MD1 . . 4.580 3.857 3.841 3.893 . 0 0 "[ . 1 . 2]" 1
1534 1 80 LEU HA 1 80 LEU QD . . 3.190 2.185 2.112 2.250 . 0 0 "[ . 1 . 2]" 1
1535 1 80 LEU HA 1 80 LEU MD2 . . 4.580 2.198 2.122 2.265 . 0 0 "[ . 1 . 2]" 1
1536 1 80 LEU HA 1 80 LEU HG . . 4.000 2.925 2.821 3.008 . 0 0 "[ . 1 . 2]" 1
1537 1 80 LEU HA 1 81 PHE H . . 2.910 2.191 2.157 2.259 . 0 0 "[ . 1 . 2]" 1
1538 1 80 LEU HA 1 81 PHE QD . . 4.410 4.227 4.093 4.334 . 0 0 "[ . 1 . 2]" 1
1539 1 80 LEU HB2 1 81 PHE H . . 4.340 4.166 3.963 4.266 . 0 0 "[ . 1 . 2]" 1
1540 1 80 LEU HB2 1 81 PHE HA . . 5.100 4.839 4.658 4.951 . 0 0 "[ . 1 . 2]" 1
1541 1 80 LEU HB3 1 81 PHE H . . 3.710 3.072 2.800 3.241 . 0 0 "[ . 1 . 2]" 1
1542 1 80 LEU HB3 1 81 PHE HA . . 4.800 4.184 4.099 4.257 . 0 0 "[ . 1 . 2]" 1
1543 1 80 LEU QD 1 81 PHE H . . 3.820 3.174 3.042 3.341 . 0 0 "[ . 1 . 2]" 1
1544 1 80 LEU HG 1 81 PHE H . . 5.100 4.894 4.808 4.962 . 0 0 "[ . 1 . 2]" 1
1545 1 81 PHE H 1 81 PHE QD . . 3.810 3.293 3.221 3.387 . 0 0 "[ . 1 . 2]" 1
1546 1 81 PHE H 1 82 PRO HD3 . . 5.140 4.832 4.751 4.872 . 0 0 "[ . 1 . 2]" 1
1547 1 81 PHE HA 1 81 PHE QD . . 3.870 3.686 3.675 3.701 . 0 0 "[ . 1 . 2]" 1
1548 1 81 PHE HA 1 82 PRO HD2 . . 3.530 2.412 2.388 2.430 . 0 0 "[ . 1 . 2]" 1
1549 1 81 PHE HA 1 82 PRO HD3 . . 3.170 2.302 2.294 2.309 . 0 0 "[ . 1 . 2]" 1
1550 1 81 PHE HA 1 82 PRO HG2 . . 5.140 4.522 4.502 4.537 . 0 0 "[ . 1 . 2]" 1
1551 1 81 PHE HA 1 82 PRO HG3 . . 4.580 4.478 4.464 4.489 . 0 0 "[ . 1 . 2]" 1
1552 1 81 PHE HB2 1 82 PRO HD2 . . 3.870 2.006 1.974 2.067 . 0 0 "[ . 1 . 2]" 1
1553 1 81 PHE HB3 1 82 PRO HD2 . . 4.080 3.179 3.141 3.215 . 0 0 "[ . 1 . 2]" 1
1554 1 81 PHE QD 1 82 PRO HA . . 4.420 4.109 4.034 4.183 . 0 0 "[ . 1 . 2]" 1
1555 1 81 PHE QD 1 82 PRO HD2 . . 4.080 3.806 3.762 3.866 . 0 0 "[ . 1 . 2]" 1
1556 1 81 PHE QD 1 83 SER H . . 4.800 4.562 4.472 4.618 . 0 0 "[ . 1 . 2]" 1
1557 1 81 PHE QD 1 83 SER HA . . 4.280 3.702 3.656 3.742 . 0 0 "[ . 1 . 2]" 1
1558 1 81 PHE QD 1 85 TYR H . . 4.870 4.809 4.637 4.879 0.009 16 0 "[ . 1 . 2]" 1
1559 1 81 PHE QD 1 86 VAL MG1 . . 3.600 3.225 2.887 3.562 . 0 0 "[ . 1 . 2]" 1
1560 1 81 PHE QD 1 86 VAL MG2 . . 3.870 3.694 3.446 3.870 . 0 0 "[ . 1 . 2]" 1
1561 1 82 PRO HA 1 83 SER H . . 2.780 2.218 2.208 2.237 . 0 0 "[ . 1 . 2]" 1
1562 1 82 PRO HA 1 83 SER HA . . 5.140 4.348 4.341 4.352 . 0 0 "[ . 1 . 2]" 1
1563 1 82 PRO HA 1 83 SER QB . . 5.340 4.320 4.078 4.620 . 0 0 "[ . 1 . 2]" 1
1564 1 82 PRO HA 1 84 ASN H . . 4.100 3.663 3.639 3.692 . 0 0 "[ . 1 . 2]" 1
1565 1 82 PRO HA 1 85 TYR H . . 5.080 4.838 4.749 4.952 . 0 0 "[ . 1 . 2]" 1
1566 1 82 PRO HB2 1 83 SER H . . 4.190 3.161 3.086 3.206 . 0 0 "[ . 1 . 2]" 1
1567 1 82 PRO HB2 1 84 ASN H . . 3.810 2.175 2.147 2.195 . 0 0 "[ . 1 . 2]" 1
1568 1 82 PRO HB2 1 85 TYR H . . 4.190 3.191 3.006 3.453 . 0 0 "[ . 1 . 2]" 1
1569 1 82 PRO HB2 1 85 TYR HB2 . . 4.580 3.828 3.798 3.876 . 0 0 "[ . 1 . 2]" 1
1570 1 82 PRO HB2 1 85 TYR HB3 . . 5.500 5.535 5.506 5.580 0.080 11 0 "[ . 1 . 2]" 1
1571 1 82 PRO HB2 1 85 TYR QD . . 3.720 2.886 2.786 3.085 . 0 0 "[ . 1 . 2]" 1
1572 1 82 PRO HB2 1 85 TYR QE . . 4.690 4.442 4.301 4.612 . 0 0 "[ . 1 . 2]" 1
1573 1 82 PRO HB3 1 83 SER H . . 3.910 3.761 3.716 3.789 . 0 0 "[ . 1 . 2]" 1
1574 1 82 PRO HB3 1 84 ASN H . . 4.620 3.825 3.809 3.849 . 0 0 "[ . 1 . 2]" 1
1575 1 82 PRO HG2 1 84 ASN H . . 4.820 3.476 3.409 3.523 . 0 0 "[ . 1 . 2]" 1
1576 1 82 PRO HG2 1 85 TYR H . . 4.040 2.900 2.667 3.196 . 0 0 "[ . 1 . 2]" 1
1577 1 82 PRO HG2 1 85 TYR HB2 . . 4.170 1.982 1.963 1.996 . 0 0 "[ . 1 . 2]" 1
1578 1 82 PRO HG2 1 85 TYR HB3 . . 4.410 3.585 3.549 3.615 . 0 0 "[ . 1 . 2]" 1
1579 1 82 PRO HG2 1 85 TYR QD . . 3.720 2.142 1.993 2.374 . 0 0 "[ . 1 . 2]" 1
1580 1 82 PRO HG2 1 85 TYR QE . . 4.110 3.898 3.733 4.042 . 0 0 "[ . 1 . 2]" 1
1581 1 82 PRO HG3 1 83 SER H . . 5.500 5.455 5.409 5.482 . 0 0 "[ . 1 . 2]" 1
1582 1 82 PRO HG3 1 85 TYR H . . 5.270 4.516 4.252 4.837 . 0 0 "[ . 1 . 2]" 1
1583 1 82 PRO HG3 1 85 TYR HB2 . . 5.140 3.634 3.591 3.669 . 0 0 "[ . 1 . 2]" 1
1584 1 82 PRO HG3 1 85 TYR QD . . 5.140 2.836 2.654 3.105 . 0 0 "[ . 1 . 2]" 1
1585 1 82 PRO HG3 1 85 TYR QE . . 4.800 3.469 3.287 3.708 . 0 0 "[ . 1 . 2]" 1
1586 1 83 SER H 1 83 SER HB2 . . 3.640 3.505 2.667 3.618 . 0 0 "[ . 1 . 2]" 1
1587 1 83 SER H 1 83 SER QB . . 3.080 2.512 2.127 2.648 . 0 0 "[ . 1 . 2]" 1
1588 1 83 SER H 1 83 SER HB3 . . 3.640 2.616 2.171 3.613 . 0 0 "[ . 1 . 2]" 1
1589 1 83 SER H 1 84 ASN H . . 3.430 2.675 2.649 2.713 . 0 0 "[ . 1 . 2]" 1
1590 1 83 SER HA 1 84 ASN HA . . 5.140 4.567 4.547 4.586 . 0 0 "[ . 1 . 2]" 1
1591 1 83 SER HA 1 85 TYR H . . 4.280 3.709 3.504 3.947 . 0 0 "[ . 1 . 2]" 1
1592 1 83 SER HA 1 86 VAL H . . 4.700 4.075 3.678 4.467 . 0 0 "[ . 1 . 2]" 1
1593 1 83 SER HA 1 86 VAL MG1 . . 4.800 3.859 3.565 4.169 . 0 0 "[ . 1 . 2]" 1
1594 1 83 SER HA 1 86 VAL MG2 . . 3.450 2.448 2.267 2.612 . 0 0 "[ . 1 . 2]" 1
1595 1 83 SER QB 1 85 TYR H . . 5.340 5.010 4.848 5.219 . 0 0 "[ . 1 . 2]" 1
1596 1 83 SER HB2 1 84 ASN H . . 4.760 4.382 3.753 4.559 . 0 0 "[ . 1 . 2]" 1
1597 1 83 SER HB3 1 84 ASN H . . 4.760 4.355 3.734 4.480 . 0 0 "[ . 1 . 2]" 1
1598 1 84 ASN H 1 84 ASN HB2 . . 3.730 2.927 2.330 3.711 . 0 0 "[ . 1 . 2]" 1
1599 1 84 ASN H 1 84 ASN QB . . 3.060 2.600 2.302 3.038 . 0 0 "[ . 1 . 2]" 1
1600 1 84 ASN H 1 84 ASN HB3 . . 3.730 3.405 2.556 3.716 . 0 0 "[ . 1 . 2]" 1
1601 1 84 ASN H 1 84 ASN HD21 . . 5.080 3.475 2.411 4.643 . 0 0 "[ . 1 . 2]" 1
1602 1 84 ASN H 1 84 ASN QD . . 4.460 3.250 2.395 4.206 . 0 0 "[ . 1 . 2]" 1
1603 1 84 ASN H 1 84 ASN HD22 . . 5.080 4.103 2.913 4.878 . 0 0 "[ . 1 . 2]" 1
1604 1 84 ASN H 1 85 TYR H . . 3.140 2.112 2.024 2.236 . 0 0 "[ . 1 . 2]" 1
1605 1 84 ASN H 1 85 TYR HB2 . . 4.700 3.937 3.886 3.982 . 0 0 "[ . 1 . 2]" 1
1606 1 84 ASN H 1 85 TYR HB3 . . 5.500 5.477 5.423 5.517 0.017 20 0 "[ . 1 . 2]" 1
1607 1 84 ASN H 1 86 VAL H . . 4.460 3.965 3.702 4.294 . 0 0 "[ . 1 . 2]" 1
1608 1 84 ASN HA 1 84 ASN HD22 . . 5.500 4.636 3.644 5.269 . 0 0 "[ . 1 . 2]" 1
1609 1 84 ASN HA 1 86 VAL H . . 4.070 3.507 3.407 3.747 . 0 0 "[ . 1 . 2]" 1
1610 1 84 ASN QB 1 85 TYR H . . 4.330 3.376 2.975 3.797 . 0 0 "[ . 1 . 2]" 1
1611 1 84 ASN HB2 1 85 TYR H . . 4.930 3.614 3.057 4.435 . 0 0 "[ . 1 . 2]" 1
1612 1 84 ASN HB3 1 85 TYR H . . 4.930 4.176 3.905 4.541 . 0 0 "[ . 1 . 2]" 1
1613 1 85 TYR H 1 85 TYR HB2 . . 3.170 2.266 2.200 2.366 . 0 0 "[ . 1 . 2]" 1
1614 1 85 TYR H 1 85 TYR HB3 . . 3.740 3.511 3.484 3.548 . 0 0 "[ . 1 . 2]" 1
1615 1 85 TYR H 1 85 TYR QD . . 3.540 2.844 2.651 3.061 . 0 0 "[ . 1 . 2]" 1
1616 1 85 TYR H 1 85 TYR QE . . 5.460 5.140 4.974 5.331 . 0 0 "[ . 1 . 2]" 1
1617 1 85 TYR H 1 86 VAL H . . 3.160 2.483 2.258 2.727 . 0 0 "[ . 1 . 2]" 1
1618 1 85 TYR H 1 86 VAL HA . . 5.270 4.986 4.847 5.104 . 0 0 "[ . 1 . 2]" 1
1619 1 85 TYR H 1 86 VAL MG1 . . 4.190 3.552 3.330 3.732 . 0 0 "[ . 1 . 2]" 1
1620 1 85 TYR H 1 86 VAL MG2 . . 4.490 3.510 3.259 3.727 . 0 0 "[ . 1 . 2]" 1
1621 1 85 TYR HB2 1 86 VAL H . . 4.390 3.865 3.491 4.158 . 0 0 "[ . 1 . 2]" 1
1622 1 85 TYR HB2 1 86 VAL MG1 . . 4.080 3.367 3.231 3.552 . 0 0 "[ . 1 . 2]" 1
1623 1 85 TYR HB3 1 86 VAL H . . 4.700 4.162 3.900 4.298 . 0 0 "[ . 1 . 2]" 1
1624 1 85 TYR HB3 1 86 VAL MG1 . . 4.170 3.257 3.014 3.403 . 0 0 "[ . 1 . 2]" 1
1625 1 85 TYR QD 1 86 VAL MG1 . . 5.140 4.712 4.574 4.817 . 0 0 "[ . 1 . 2]" 1
1626 1 86 VAL H 1 86 VAL MG1 . . 3.470 2.938 2.748 3.159 . 0 0 "[ . 1 . 2]" 1
1627 1 86 VAL H 1 86 VAL MG2 . . 3.000 2.274 2.102 2.423 . 0 0 "[ . 1 . 2]" 1
1628 1 86 VAL H 1 87 LYS H . . 4.700 4.397 4.302 4.505 . 0 0 "[ . 1 . 2]" 1
1629 1 86 VAL HA 1 86 VAL MG1 . . 3.220 2.380 2.275 2.470 . 0 0 "[ . 1 . 2]" 1
1630 1 86 VAL HA 1 87 LYS H . . 3.130 2.273 2.202 2.362 . 0 0 "[ . 1 . 2]" 1
1631 1 86 VAL HB 1 87 LYS H . . 3.260 2.736 2.501 2.973 . 0 0 "[ . 1 . 2]" 1
1632 1 86 VAL MG1 1 87 LYS H . . 3.930 3.855 3.770 3.935 0.005 19 0 "[ . 1 . 2]" 1
1633 1 86 VAL MG2 1 87 LYS H . . 4.000 3.592 3.335 3.779 . 0 0 "[ . 1 . 2]" 1
1634 1 87 LYS H 1 87 LYS QB . . 3.340 2.553 2.388 2.794 . 0 0 "[ . 1 . 2]" 1
1635 1 87 LYS H 1 87 LYS HG2 . . 5.410 4.532 2.763 5.022 . 0 0 "[ . 1 . 2]" 1
1636 1 87 LYS H 1 87 LYS QG . . 4.650 3.999 2.721 4.291 . 0 0 "[ . 1 . 2]" 1
1637 1 87 LYS H 1 87 LYS HG3 . . 5.410 4.539 3.666 4.975 . 0 0 "[ . 1 . 2]" 1
1638 1 87 LYS QB 1 88 MET H . . 4.450 3.676 3.232 3.815 . 0 0 "[ . 1 . 2]" 1
1639 1 87 LYS HB2 1 88 MET H . . 5.220 4.217 3.329 4.506 . 0 0 "[ . 1 . 2]" 1
1640 1 87 LYS HB3 1 88 MET H . . 5.220 4.104 3.445 4.379 . 0 0 "[ . 1 . 2]" 1
1641 1 87 LYS HG2 1 88 MET H . . 5.500 3.598 2.608 4.789 . 0 0 "[ . 1 . 2]" 1
1642 1 87 LYS HG3 1 88 MET H . . 5.500 3.390 2.178 4.595 . 0 0 "[ . 1 . 2]" 1
1643 1 88 MET H 1 88 MET HB2 . . 3.810 2.416 2.258 2.657 . 0 0 "[ . 1 . 2]" 1
1644 1 88 MET H 1 88 MET HG2 . . 4.170 3.150 2.228 4.057 . 0 0 "[ . 1 . 2]" 1
1645 1 88 MET H 1 88 MET HG3 . . 4.170 2.838 2.040 3.655 . 0 0 "[ . 1 . 2]" 1
1646 1 88 MET HA 1 88 MET ME . . 4.430 4.107 3.591 4.432 0.002 11 0 "[ . 1 . 2]" 1
1647 1 88 MET HA 1 89 THR H . . 2.860 2.148 2.140 2.192 . 0 0 "[ . 1 . 2]" 1
1648 1 88 MET HB2 1 89 THR H . . 4.500 4.414 4.305 4.503 0.003 20 0 "[ . 1 . 2]" 1
1649 1 88 MET HB2 1 90 THR H . . 5.100 4.715 4.356 4.976 . 0 0 "[ . 1 . 2]" 1
1650 1 88 MET HB3 1 89 THR H . . 3.880 3.570 3.236 3.863 . 0 0 "[ . 1 . 2]" 1
1651 1 88 MET HB3 1 90 THR H . . 4.230 3.324 3.081 3.481 . 0 0 "[ . 1 . 2]" 1
1652 1 88 MET QG 1 89 THR H . . 4.490 4.167 3.577 4.489 . 0 0 "[ . 1 . 2]" 1
1653 1 89 THR H 1 89 THR HB . . 4.070 3.617 3.578 3.649 . 0 0 "[ . 1 . 2]" 1
1654 1 89 THR H 1 89 THR MG . . 3.140 2.248 1.975 2.689 . 0 0 "[ . 1 . 2]" 1
1655 1 89 THR H 1 90 THR H . . 3.730 2.752 2.347 2.915 . 0 0 "[ . 1 . 2]" 1
1656 1 89 THR HA 1 89 THR HB . . 2.890 2.474 2.439 2.583 . 0 0 "[ . 1 . 2]" 1
1657 1 89 THR HA 1 89 THR MG . . 3.250 2.331 2.204 2.426 . 0 0 "[ . 1 . 2]" 1
1658 1 89 THR HB 1 90 THR H . . 3.770 3.612 3.384 3.764 . 0 0 "[ . 1 . 2]" 1
1659 1 89 THR HB 1 91 ASP H . . 4.000 3.192 2.838 3.482 . 0 0 "[ . 1 . 2]" 1
1660 1 89 THR MG 1 90 THR H . . 4.100 3.879 3.807 4.086 . 0 0 "[ . 1 . 2]" 1
1661 1 90 THR H 1 90 THR HA . . 2.910 2.278 2.276 2.282 . 0 0 "[ . 1 . 2]" 1
1662 1 90 THR H 1 90 THR MG . . 4.080 3.507 2.286 3.986 . 0 0 "[ . 1 . 2]" 1
1663 1 90 THR H 1 91 ASP H . . 4.130 2.708 2.594 2.800 . 0 0 "[ . 1 . 2]" 1
1664 1 90 THR HA 1 90 THR MG . . 3.500 2.325 2.039 3.188 . 0 0 "[ . 1 . 2]" 1
1665 1 90 THR HA 1 91 ASP H . . 3.210 2.850 2.807 2.976 . 0 0 "[ . 1 . 2]" 1
1666 1 90 THR MG 1 91 ASP H . . 5.080 4.149 3.449 4.393 . 0 0 "[ . 1 . 2]" 1
1667 1 91 ASP H 1 91 ASP HB2 . . 4.140 2.908 2.316 3.671 . 0 0 "[ . 1 . 2]" 1
1668 1 91 ASP H 1 91 ASP QB . . 3.620 2.440 2.177 2.906 . 0 0 "[ . 1 . 2]" 1
1669 1 91 ASP H 1 91 ASP HB3 . . 4.140 2.918 2.222 3.721 . 0 0 "[ . 1 . 2]" 1
1670 1 91 ASP QB 1 92 SER H . . 4.430 3.470 2.405 4.030 . 0 0 "[ . 1 . 2]" 1
1671 1 92 SER H 1 92 SER HB2 . . 4.120 2.816 2.237 3.720 . 0 0 "[ . 1 . 2]" 1
1672 1 92 SER H 1 92 SER QB . . 3.600 2.432 2.214 2.889 . 0 0 "[ . 1 . 2]" 1
1673 1 92 SER H 1 92 SER HB3 . . 4.120 3.046 2.381 3.704 . 0 0 "[ . 1 . 2]" 1
1674 1 93 SER QB 1 94 GLY H . . 4.300 3.347 2.122 4.059 . 0 0 "[ . 1 . 2]" 1
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