NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
447336 |
2kpj   |
16557 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kpj
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 1013
_Distance_constraint_stats_list.Viol_count 1052
_Distance_constraint_stats_list.Viol_total 1281.981
_Distance_constraint_stats_list.Viol_max 0.381
_Distance_constraint_stats_list.Viol_rms 0.0188
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0032
_Distance_constraint_stats_list.Viol_average_violations_only 0.0609
_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 5 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 GLN 0.457 0.102 15 0 "[ . 1 . 2]"
1 7 LYS 0.567 0.179 12 0 "[ . 1 . 2]"
1 8 ALA 1.189 0.179 12 0 "[ . 1 . 2]"
1 9 ILE 0.347 0.064 17 0 "[ . 1 . 2]"
1 10 PHE 0.020 0.008 16 0 "[ . 1 . 2]"
1 11 SER 0.062 0.035 12 0 "[ . 1 . 2]"
1 12 GLU 1.741 0.349 2 0 "[ . 1 . 2]"
1 13 ASN 0.398 0.066 5 0 "[ . 1 . 2]"
1 14 LEU 0.189 0.052 14 0 "[ . 1 . 2]"
1 15 ASN 1.642 0.110 5 0 "[ . 1 . 2]"
1 16 SER 0.012 0.012 2 0 "[ . 1 . 2]"
1 17 TYR 0.620 0.079 18 0 "[ . 1 . 2]"
1 18 ILE 1.487 0.100 18 0 "[ . 1 . 2]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LYS 2.584 0.156 17 0 "[ . 1 . 2]"
1 21 SER 2.349 0.191 17 0 "[ . 1 . 2]"
1 22 GLU 0.144 0.039 6 0 "[ . 1 . 2]"
1 23 LYS 1.758 0.217 11 0 "[ . 1 . 2]"
1 24 THR 2.114 0.129 6 0 "[ . 1 . 2]"
1 25 GLN 1.492 0.111 19 0 "[ . 1 . 2]"
1 26 LEU 5.697 0.349 18 0 "[ . 1 . 2]"
1 27 GLU 3.833 0.249 8 0 "[ . 1 . 2]"
1 28 ILE 0.123 0.038 10 0 "[ . 1 . 2]"
1 29 ALA 0.072 0.043 19 0 "[ . 1 . 2]"
1 30 LYS 0.297 0.135 7 0 "[ . 1 . 2]"
1 31 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ILE 0.399 0.052 11 0 "[ . 1 . 2]"
1 33 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 VAL 0.366 0.048 4 0 "[ . 1 . 2]"
1 35 SER 0.006 0.006 4 0 "[ . 1 . 2]"
1 36 PRO 0.869 0.114 18 0 "[ . 1 . 2]"
1 37 GLN 0.932 0.159 7 0 "[ . 1 . 2]"
1 38 THR 2.918 0.180 7 0 "[ . 1 . 2]"
1 39 PHE 2.667 0.180 7 0 "[ . 1 . 2]"
1 40 ASN 0.430 0.214 15 0 "[ . 1 . 2]"
1 41 THR 0.559 0.071 2 0 "[ . 1 . 2]"
1 42 TRP 1.936 0.099 4 0 "[ . 1 . 2]"
1 43 CYS 3.010 0.214 15 0 "[ . 1 . 2]"
1 44 LYS 3.751 0.381 17 0 "[ . 1 . 2]"
1 45 GLY 1.522 0.112 13 0 "[ . 1 . 2]"
1 46 ILE 0.268 0.109 7 0 "[ . 1 . 2]"
1 47 ALA 0.031 0.017 8 0 "[ . 1 . 2]"
1 48 ILE 1.642 0.086 10 0 "[ . 1 . 2]"
1 49 PRO 2.807 0.099 4 0 "[ . 1 . 2]"
1 50 ARG 0.110 0.030 13 0 "[ . 1 . 2]"
1 51 MET 0.055 0.055 11 0 "[ . 1 . 2]"
1 52 GLY 0.015 0.008 16 0 "[ . 1 . 2]"
1 53 LYS 0.488 0.063 19 0 "[ . 1 . 2]"
1 54 VAL 0.184 0.033 19 0 "[ . 1 . 2]"
1 55 GLN 0.287 0.187 9 0 "[ . 1 . 2]"
1 56 ALA 0.368 0.041 12 0 "[ . 1 . 2]"
1 57 LEU 1.069 0.058 7 0 "[ . 1 . 2]"
1 58 ALA 0.086 0.055 7 0 "[ . 1 . 2]"
1 59 ASP 1.585 0.083 4 0 "[ . 1 . 2]"
1 60 TYR 1.347 0.112 14 0 "[ . 1 . 2]"
1 61 PHE 3.965 0.112 14 0 "[ . 1 . 2]"
1 62 ASN 0.897 0.110 14 0 "[ . 1 . 2]"
1 63 ILE 0.152 0.081 10 0 "[ . 1 . 2]"
1 64 ASN 0.683 0.088 4 0 "[ . 1 . 2]"
1 65 LYS 0.141 0.051 6 0 "[ . 1 . 2]"
1 66 SER 0.590 0.088 18 0 "[ . 1 . 2]"
1 67 ASP 0.289 0.088 4 0 "[ . 1 . 2]"
1 68 LEU 0.419 0.066 5 0 "[ . 1 . 2]"
1 69 ILE 0.540 0.088 18 0 "[ . 1 . 2]"
1 70 GLU 4.646 0.224 9 0 "[ . 1 . 2]"
1 71 ASP 0.864 0.139 18 0 "[ . 1 . 2]"
1 72 LYS 0.288 0.072 17 0 "[ . 1 . 2]"
1 73 LYS 4.196 0.193 8 0 "[ . 1 . 2]"
1 74 LEU 7.044 0.196 12 0 "[ . 1 . 2]"
1 75 ASN 3.359 0.245 9 0 "[ . 1 . 2]"
1 76 ILE 2.796 0.245 9 0 "[ . 1 . 2]"
1 77 ASP 4.362 0.345 15 0 "[ . 1 . 2]"
1 78 THR 3.194 0.345 15 0 "[ . 1 . 2]"
1 79 VAL 0.417 0.153 18 0 "[ . 1 . 2]"
1 80 PRO 0.108 0.037 7 0 "[ . 1 . 2]"
1 81 ILE 1.761 0.170 20 0 "[ . 1 . 2]"
1 82 GLU 1.612 0.170 20 0 "[ . 1 . 2]"
1 83 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 THR 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 5 LYS HA 1 8 ALA H 2.840 . 3.880 3.383 3.025 3.758 . 0 0 "[ . 1 . 2]" 1
2 1 5 LYS HA 1 8 ALA MB 2.750 . 3.710 2.744 2.306 3.147 . 0 0 "[ . 1 . 2]" 1
3 1 6 GLN H 1 6 GLN HB2 2.660 . 3.520 2.515 2.109 3.622 0.102 15 0 "[ . 1 . 2]" 1
4 1 6 GLN H 1 6 GLN QB 2.550 . 3.300 2.278 2.073 2.553 . 0 0 "[ . 1 . 2]" 1
5 1 6 GLN H 1 6 GLN HB3 2.660 . 3.520 2.768 2.504 3.606 0.086 10 0 "[ . 1 . 2]" 1
6 1 6 GLN H 1 6 GLN HG2 3.470 . 5.140 4.326 2.178 4.657 . 0 0 "[ . 1 . 2]" 1
7 1 6 GLN H 1 6 GLN HG3 3.470 . 5.140 4.237 3.043 4.503 . 0 0 "[ . 1 . 2]" 1
8 1 6 GLN H 1 7 LYS H 2.640 . 3.480 2.660 2.463 2.825 . 0 0 "[ . 1 . 2]" 1
9 1 6 GLN HA 1 9 ILE H 2.960 . 4.130 3.384 3.054 3.692 . 0 0 "[ . 1 . 2]" 1
10 1 6 GLN HA 1 9 ILE HB 2.600 . 3.410 2.771 2.200 3.433 0.023 12 0 "[ . 1 . 2]" 1
11 1 6 GLN HA 1 9 ILE MD 3.040 . 4.280 2.561 1.789 3.068 0.011 18 0 "[ . 1 . 2]" 1
12 1 6 GLN HA 1 9 ILE MG 3.900 . 6.010 4.128 3.633 4.708 . 0 0 "[ . 1 . 2]" 1
13 1 6 GLN HA 1 10 PHE H 3.160 . 4.520 3.923 3.588 4.376 . 0 0 "[ . 1 . 2]" 1
14 1 6 GLN QB 1 48 ILE MD 3.340 . 4.880 3.419 2.777 4.301 . 0 0 "[ . 1 . 2]" 1
15 1 6 GLN HB2 1 7 LYS H 3.090 . 4.380 3.656 2.468 4.011 . 0 0 "[ . 1 . 2]" 1
16 1 6 GLN HB2 1 48 ILE MD 3.490 . 5.180 4.561 3.170 5.213 0.033 14 0 "[ . 1 . 2]" 1
17 1 6 GLN HB3 1 7 LYS H 3.090 . 4.380 2.888 2.411 4.013 . 0 0 "[ . 1 . 2]" 1
18 1 6 GLN HB3 1 48 ILE MD 3.490 . 5.180 3.583 2.828 5.197 0.017 15 0 "[ . 1 . 2]" 1
19 1 6 GLN HG2 1 48 ILE MD 3.720 . 5.650 3.936 3.006 5.666 0.016 11 0 "[ . 1 . 2]" 1
20 1 6 GLN HG3 1 48 ILE MD 3.720 . 5.650 3.293 2.109 5.344 . 0 0 "[ . 1 . 2]" 1
21 1 7 LYS H 1 7 LYS HB2 2.850 . 3.910 2.467 2.087 3.606 . 0 0 "[ . 1 . 2]" 1
22 1 7 LYS H 1 7 LYS QB 2.750 . 3.700 2.316 2.067 2.600 . 0 0 "[ . 1 . 2]" 1
23 1 7 LYS H 1 7 LYS HB3 2.850 . 3.910 3.164 2.488 3.611 . 0 0 "[ . 1 . 2]" 1
24 1 7 LYS H 1 7 LYS QD 4.340 . 6.880 4.113 3.405 4.668 . 0 0 "[ . 1 . 2]" 1
25 1 7 LYS H 1 7 LYS QG 3.850 . 5.910 2.973 2.047 3.989 . 0 0 "[ . 1 . 2]" 1
26 1 7 LYS HA 1 7 LYS QD 3.620 . 5.440 3.968 2.149 4.564 . 0 0 "[ . 1 . 2]" 1
27 1 7 LYS HA 1 10 PHE H 2.930 . 4.060 3.601 3.256 4.068 0.008 20 0 "[ . 1 . 2]" 1
28 1 7 LYS HA 1 10 PHE HB2 3.300 . 4.810 3.698 3.060 4.261 . 0 0 "[ . 1 . 2]" 1
29 1 7 LYS HA 1 10 PHE HB3 2.910 . 4.020 2.789 2.270 3.213 . 0 0 "[ . 1 . 2]" 1
30 1 7 LYS HA 1 48 ILE MD 3.060 . 4.320 2.101 1.776 2.914 0.024 6 0 "[ . 1 . 2]" 1
31 1 7 LYS HA 1 48 ILE MG 3.650 . 5.510 4.846 4.476 5.513 0.003 20 0 "[ . 1 . 2]" 1
32 1 7 LYS QB 1 7 LYS QE 4.070 . 6.340 2.587 1.943 3.646 . 0 0 "[ . 1 . 2]" 1
33 1 7 LYS QB 1 8 ALA H 2.640 . 3.480 2.694 2.381 3.397 . 0 0 "[ . 1 . 2]" 1
34 1 7 LYS HB2 1 7 LYS QE 4.140 . 6.490 2.976 1.986 4.448 . 0 0 "[ . 1 . 2]" 1
35 1 7 LYS HB2 1 8 ALA H 2.800 . 3.800 3.208 2.425 3.905 0.105 9 0 "[ . 1 . 2]" 1
36 1 7 LYS HB3 1 7 LYS QE 4.140 . 6.490 3.049 2.067 3.978 . 0 0 "[ . 1 . 2]" 1
37 1 7 LYS HB3 1 8 ALA H 2.800 . 3.800 3.287 2.501 3.979 0.179 12 0 "[ . 1 . 2]" 1
38 1 7 LYS QE 1 47 ALA MB 4.450 . 7.110 4.320 3.367 5.423 . 0 0 "[ . 1 . 2]" 1
39 1 7 LYS QE 1 48 ILE H 3.960 . 6.130 3.939 2.160 5.322 . 0 0 "[ . 1 . 2]" 1
40 1 7 LYS QG 1 48 ILE MD 4.420 . 7.040 2.714 1.989 4.098 . 0 0 "[ . 1 . 2]" 1
41 1 8 ALA H 1 8 ALA MB 2.610 . 3.420 2.249 2.226 2.269 . 0 0 "[ . 1 . 2]" 1
42 1 8 ALA HA 1 12 GLU H 2.840 . 3.880 3.894 3.666 3.976 0.096 15 0 "[ . 1 . 2]" 1
43 1 8 ALA MB 1 9 ILE H 2.820 . 3.850 2.555 2.348 2.734 . 0 0 "[ . 1 . 2]" 1
44 1 8 ALA MB 1 9 ILE HA 3.760 . 5.720 3.867 3.773 3.964 . 0 0 "[ . 1 . 2]" 1
45 1 9 ILE H 1 9 ILE HB 2.390 . 2.980 2.515 2.411 2.581 . 0 0 "[ . 1 . 2]" 1
46 1 9 ILE H 1 9 ILE MD 3.240 . 4.680 3.590 3.547 3.634 . 0 0 "[ . 1 . 2]" 1
47 1 9 ILE H 1 9 ILE HG12 2.890 . 3.980 3.432 3.305 3.668 . 0 0 "[ . 1 . 2]" 1
48 1 9 ILE H 1 9 ILE QG 2.660 . 3.530 2.147 2.035 2.349 . 0 0 "[ . 1 . 2]" 1
49 1 9 ILE H 1 9 ILE HG13 2.890 . 3.980 2.169 2.054 2.377 . 0 0 "[ . 1 . 2]" 1
50 1 9 ILE H 1 9 ILE MG 3.250 . 4.710 3.770 3.749 3.782 . 0 0 "[ . 1 . 2]" 1
51 1 9 ILE HA 1 9 ILE HG12 2.730 . 3.660 2.526 2.457 2.580 . 0 0 "[ . 1 . 2]" 1
52 1 9 ILE HA 1 9 ILE QG 2.620 . 3.440 2.398 2.339 2.440 . 0 0 "[ . 1 . 2]" 1
53 1 9 ILE HA 1 9 ILE HG13 2.730 . 3.660 2.990 2.851 3.070 . 0 0 "[ . 1 . 2]" 1
54 1 9 ILE HA 1 12 GLU H 2.930 . 4.060 3.675 3.391 3.961 . 0 0 "[ . 1 . 2]" 1
55 1 9 ILE HA 1 12 GLU HB2 2.930 . 4.060 3.595 2.637 4.124 0.064 17 0 "[ . 1 . 2]" 1
56 1 9 ILE HA 1 12 GLU QB 2.830 . 3.870 2.809 2.360 3.216 . 0 0 "[ . 1 . 2]" 1
57 1 9 ILE HA 1 12 GLU HB3 2.930 . 4.060 3.047 2.414 4.101 0.041 15 0 "[ . 1 . 2]" 1
58 1 9 ILE HA 1 12 GLU QG 4.320 . 6.850 4.445 3.571 5.247 . 0 0 "[ . 1 . 2]" 1
59 1 9 ILE HA 1 13 ASN H 3.470 . 5.140 3.911 3.659 4.204 . 0 0 "[ . 1 . 2]" 1
60 1 9 ILE HB 1 10 PHE H 2.510 . 3.230 2.445 2.342 2.633 . 0 0 "[ . 1 . 2]" 1
61 1 9 ILE MD 1 10 PHE H 4.120 . 6.440 4.455 4.349 4.638 . 0 0 "[ . 1 . 2]" 1
62 1 9 ILE MD 1 71 ASP H 3.350 . 4.900 3.988 3.080 4.920 0.020 5 0 "[ . 1 . 2]" 1
63 1 9 ILE MD 1 71 ASP HB2 3.150 . 4.500 2.761 2.018 4.190 . 0 0 "[ . 1 . 2]" 1
64 1 9 ILE MD 1 71 ASP HB3 3.450 . 5.110 3.996 3.046 5.140 0.030 16 0 "[ . 1 . 2]" 1
65 1 9 ILE MG 1 10 PHE H 3.380 . 4.970 3.254 3.129 3.428 . 0 0 "[ . 1 . 2]" 1
66 1 9 ILE MG 1 13 ASN QD 3.580 . 5.360 2.616 1.990 3.845 . 0 0 "[ . 1 . 2]" 1
67 1 9 ILE MG 1 70 GLU H 3.700 . 5.610 4.555 3.641 5.327 . 0 0 "[ . 1 . 2]" 1
68 1 9 ILE MG 1 70 GLU HA 3.520 . 5.250 3.861 3.061 5.268 0.018 5 0 "[ . 1 . 2]" 1
69 1 9 ILE MG 1 71 ASP H 3.330 . 4.860 3.663 2.955 4.910 0.050 5 0 "[ . 1 . 2]" 1
70 1 9 ILE MG 1 71 ASP HA 3.000 . 4.210 2.641 1.778 3.647 0.012 10 0 "[ . 1 . 2]" 1
71 1 9 ILE MG 1 71 ASP HB2 3.420 . 5.040 3.077 1.789 5.053 0.013 8 0 "[ . 1 . 2]" 1
72 1 9 ILE MG 1 71 ASP HB3 3.870 . 5.940 4.257 2.780 5.846 . 0 0 "[ . 1 . 2]" 1
73 1 10 PHE H 1 10 PHE HB2 2.490 . 3.190 2.527 2.413 2.665 . 0 0 "[ . 1 . 2]" 1
74 1 10 PHE H 1 10 PHE HB3 2.420 . 3.050 2.507 2.414 2.620 . 0 0 "[ . 1 . 2]" 1
75 1 10 PHE H 1 11 SER H 2.550 . 3.300 2.831 2.736 2.937 . 0 0 "[ . 1 . 2]" 1
76 1 10 PHE HA 1 13 ASN HB2 3.360 . 4.920 3.171 2.622 4.027 . 0 0 "[ . 1 . 2]" 1
77 1 10 PHE HA 1 13 ASN HB3 3.830 . 5.860 4.402 3.028 4.992 . 0 0 "[ . 1 . 2]" 1
78 1 10 PHE HB2 1 11 SER H 2.850 . 3.910 3.819 3.690 3.905 . 0 0 "[ . 1 . 2]" 1
79 1 10 PHE HB2 1 48 ILE MD 3.630 . 5.470 3.210 2.577 4.920 . 0 0 "[ . 1 . 2]" 1
80 1 10 PHE HB3 1 11 SER H 2.550 . 3.300 2.448 2.268 2.532 . 0 0 "[ . 1 . 2]" 1
81 1 10 PHE HB3 1 48 ILE MD 3.630 . 5.470 3.159 2.561 4.585 . 0 0 "[ . 1 . 2]" 1
82 1 10 PHE QD 1 11 SER H 4.060 . 6.330 3.253 2.934 3.519 . 0 0 "[ . 1 . 2]" 1
83 1 10 PHE QD 1 11 SER QB 4.740 . 7.680 3.553 3.174 4.240 . 0 0 "[ . 1 . 2]" 1
84 1 10 PHE QD 1 48 ILE MD 4.390 . 6.990 3.676 3.152 4.858 . 0 0 "[ . 1 . 2]" 1
85 1 10 PHE QD 1 48 ILE HG12 4.960 . 8.130 3.001 2.336 3.901 . 0 0 "[ . 1 . 2]" 1
86 1 10 PHE QD 1 48 ILE MG 4.660 . 7.530 3.605 3.092 4.106 . 0 0 "[ . 1 . 2]" 1
87 1 10 PHE QD 1 68 LEU HB2 4.190 . 6.580 3.580 2.902 4.169 . 0 0 "[ . 1 . 2]" 1
88 1 10 PHE QD 1 68 LEU HB3 3.610 . 5.430 2.771 2.212 3.782 . 0 0 "[ . 1 . 2]" 1
89 1 10 PHE QD 1 68 LEU MD2 5.240 . 8.680 4.336 3.642 5.239 . 0 0 "[ . 1 . 2]" 1
90 1 10 PHE QD 1 69 ILE HA 3.650 . 5.500 3.069 1.938 4.271 . 0 0 "[ . 1 . 2]" 1
91 1 10 PHE QD 1 69 ILE MD 4.370 . 6.950 3.175 1.818 5.890 . 0 0 "[ . 1 . 2]" 1
92 1 10 PHE QD 1 69 ILE MG 3.920 . 6.050 4.456 2.973 5.509 . 0 0 "[ . 1 . 2]" 1
93 1 10 PHE QE 1 14 LEU MD2 4.020 . 6.240 2.866 2.190 3.317 . 0 0 "[ . 1 . 2]" 1
94 1 10 PHE QE 1 42 TRP HA 4.710 . 7.630 4.065 2.822 5.021 . 0 0 "[ . 1 . 2]" 1
95 1 10 PHE QE 1 42 TRP HB2 4.210 . 6.620 4.423 3.386 5.463 . 0 0 "[ . 1 . 2]" 1
96 1 10 PHE QE 1 42 TRP HB3 3.470 . 5.140 2.755 1.856 3.784 . 0 0 "[ . 1 . 2]" 1
97 1 10 PHE QE 1 48 ILE HA 4.930 . 8.060 3.635 3.060 4.220 . 0 0 "[ . 1 . 2]" 1
98 1 10 PHE QE 1 48 ILE MG 5.470 . 9.150 3.418 2.940 4.129 . 0 0 "[ . 1 . 2]" 1
99 1 10 PHE QE 1 49 PRO HD2 4.140 . 6.480 2.854 2.290 3.449 . 0 0 "[ . 1 . 2]" 1
100 1 10 PHE QE 1 49 PRO HD3 3.830 . 5.860 3.284 2.884 3.756 . 0 0 "[ . 1 . 2]" 1
101 1 10 PHE QE 1 49 PRO HG2 4.550 . 7.300 3.883 3.329 4.601 . 0 0 "[ . 1 . 2]" 1
102 1 10 PHE QE 1 49 PRO QG 4.200 . 6.610 3.372 2.604 4.016 . 0 0 "[ . 1 . 2]" 1
103 1 10 PHE QE 1 49 PRO HG3 4.550 . 7.300 3.718 2.699 4.508 . 0 0 "[ . 1 . 2]" 1
104 1 10 PHE QE 1 54 VAL MG1 3.960 . 6.130 2.958 2.246 4.081 . 0 0 "[ . 1 . 2]" 1
105 1 10 PHE QE 1 54 VAL MG2 4.110 . 6.420 3.436 2.478 3.971 . 0 0 "[ . 1 . 2]" 1
106 1 10 PHE QE 1 57 LEU MD1 4.290 . 6.780 3.320 2.734 3.853 . 0 0 "[ . 1 . 2]" 1
107 1 10 PHE QE 1 68 LEU HB2 4.370 . 6.940 3.070 2.624 3.634 . 0 0 "[ . 1 . 2]" 1
108 1 10 PHE QE 1 68 LEU HB3 3.670 . 5.540 2.633 2.180 3.218 . 0 0 "[ . 1 . 2]" 1
109 1 10 PHE QE 1 68 LEU MD1 4.250 . 6.700 2.707 2.139 3.696 . 0 0 "[ . 1 . 2]" 1
110 1 10 PHE HZ 1 14 LEU MD2 3.060 . 4.320 3.217 2.569 3.964 . 0 0 "[ . 1 . 2]" 1
111 1 10 PHE HZ 1 49 PRO HD2 3.160 . 4.520 3.253 2.674 4.012 . 0 0 "[ . 1 . 2]" 1
112 1 10 PHE HZ 1 49 PRO HG2 2.940 . 4.090 3.256 2.301 3.895 . 0 0 "[ . 1 . 2]" 1
113 1 10 PHE HZ 1 49 PRO QG 2.760 . 3.730 2.932 2.232 3.548 . 0 0 "[ . 1 . 2]" 1
114 1 10 PHE HZ 1 49 PRO HG3 2.940 . 4.090 3.391 2.588 4.098 0.008 16 0 "[ . 1 . 2]" 1
115 1 10 PHE HZ 1 54 VAL MG2 3.240 . 4.680 3.290 2.407 4.196 . 0 0 "[ . 1 . 2]" 1
116 1 10 PHE HZ 1 57 LEU MD1 2.630 . 3.460 2.511 2.012 3.021 . 0 0 "[ . 1 . 2]" 1
117 1 11 SER H 1 11 SER HB2 2.750 . 3.700 3.257 2.437 3.593 . 0 0 "[ . 1 . 2]" 1
118 1 11 SER H 1 11 SER QB 2.620 . 3.450 2.540 2.237 2.754 . 0 0 "[ . 1 . 2]" 1
119 1 11 SER H 1 11 SER HB3 2.750 . 3.700 2.725 2.455 3.574 . 0 0 "[ . 1 . 2]" 1
120 1 11 SER H 1 12 GLU H 2.600 . 3.410 2.703 2.589 2.796 . 0 0 "[ . 1 . 2]" 1
121 1 11 SER HA 1 11 SER QB 2.220 . 2.640 2.234 2.172 2.416 . 0 0 "[ . 1 . 2]" 1
122 1 11 SER HA 1 14 LEU H 3.140 . 4.490 3.667 3.407 4.137 . 0 0 "[ . 1 . 2]" 1
123 1 11 SER HA 1 14 LEU HB3 2.960 . 4.130 2.797 2.451 3.432 . 0 0 "[ . 1 . 2]" 1
124 1 11 SER HA 1 15 ASN H 3.300 . 4.810 3.751 3.460 3.998 . 0 0 "[ . 1 . 2]" 1
125 1 11 SER QB 1 45 GLY QA 3.520 . 5.240 2.061 1.765 2.671 0.035 12 0 "[ . 1 . 2]" 1
126 1 11 SER HB2 1 45 GLY HA2 4.000 . 6.210 3.232 2.227 4.165 . 0 0 "[ . 1 . 2]" 1
127 1 11 SER HB2 1 45 GLY HA3 4.000 . 6.210 3.128 1.815 3.849 . 0 0 "[ . 1 . 2]" 1
128 1 11 SER HB3 1 45 GLY HA2 4.000 . 6.210 2.657 1.868 4.351 . 0 0 "[ . 1 . 2]" 1
129 1 11 SER HB3 1 45 GLY HA3 4.000 . 6.210 2.894 2.264 3.726 . 0 0 "[ . 1 . 2]" 1
130 1 12 GLU H 1 12 GLU HB2 2.440 . 3.080 2.391 2.018 2.617 . 0 0 "[ . 1 . 2]" 1
131 1 12 GLU H 1 12 GLU HB3 2.440 . 3.080 2.710 2.430 3.429 0.349 2 0 "[ . 1 . 2]" 1
132 1 12 GLU H 1 12 GLU QG 3.620 . 5.440 3.896 2.657 4.068 . 0 0 "[ . 1 . 2]" 1
133 1 12 GLU H 1 13 ASN H 2.460 . 3.120 2.740 2.588 2.825 . 0 0 "[ . 1 . 2]" 1
134 1 12 GLU HA 1 15 ASN H 2.870 . 3.950 3.729 3.394 3.993 0.043 12 0 "[ . 1 . 2]" 1
135 1 12 GLU HA 1 15 ASN HB2 3.110 . 4.420 3.271 2.501 3.882 . 0 0 "[ . 1 . 2]" 1
136 1 12 GLU HA 1 15 ASN QB 3.000 . 4.200 2.793 2.372 3.219 . 0 0 "[ . 1 . 2]" 1
137 1 12 GLU HA 1 15 ASN HB3 3.110 . 4.420 3.355 2.503 4.454 0.034 1 0 "[ . 1 . 2]" 1
138 1 12 GLU HA 1 16 SER H 3.900 . 6.000 4.244 3.750 4.501 . 0 0 "[ . 1 . 2]" 1
139 1 12 GLU QB 1 13 ASN H 2.640 . 3.480 2.480 2.274 2.698 . 0 0 "[ . 1 . 2]" 1
140 1 12 GLU HB2 1 13 ASN H 2.800 . 3.800 3.658 2.677 3.865 0.065 20 0 "[ . 1 . 2]" 1
141 1 12 GLU HB3 1 13 ASN H 2.800 . 3.800 2.565 2.300 3.159 . 0 0 "[ . 1 . 2]" 1
142 1 12 GLU QG 1 13 ASN H 4.140 . 6.490 3.747 3.309 4.404 . 0 0 "[ . 1 . 2]" 1
143 1 13 ASN H 1 13 ASN HB2 2.490 . 3.190 2.340 2.192 2.483 . 0 0 "[ . 1 . 2]" 1
144 1 13 ASN H 1 13 ASN HB3 2.710 . 3.620 3.439 2.716 3.606 . 0 0 "[ . 1 . 2]" 1
145 1 13 ASN H 1 13 ASN QD 4.330 . 6.860 3.840 2.328 4.687 . 0 0 "[ . 1 . 2]" 1
146 1 13 ASN H 1 14 LEU H 2.510 . 3.230 2.728 2.548 2.844 . 0 0 "[ . 1 . 2]" 1
147 1 13 ASN HA 1 16 SER H 2.930 . 4.060 3.647 3.260 3.979 . 0 0 "[ . 1 . 2]" 1
148 1 13 ASN HA 1 16 SER QB 3.330 . 4.870 3.163 2.607 3.961 . 0 0 "[ . 1 . 2]" 1
149 1 13 ASN HB2 1 14 LEU H 2.620 . 3.440 2.701 2.320 3.492 0.052 14 0 "[ . 1 . 2]" 1
150 1 13 ASN HB2 1 68 LEU HA 2.980 . 4.160 3.328 2.599 4.189 0.029 8 0 "[ . 1 . 2]" 1
151 1 13 ASN HB2 1 68 LEU MD2 3.520 . 5.250 3.691 2.526 4.694 . 0 0 "[ . 1 . 2]" 1
152 1 13 ASN HB3 1 14 LEU H 2.850 . 3.910 3.127 2.248 3.547 . 0 0 "[ . 1 . 2]" 1
153 1 13 ASN HB3 1 17 TYR QD 3.940 . 6.080 4.072 3.382 4.981 . 0 0 "[ . 1 . 2]" 1
154 1 13 ASN HB3 1 17 TYR QE 3.580 . 5.360 3.119 2.199 5.107 . 0 0 "[ . 1 . 2]" 1
155 1 13 ASN HB3 1 68 LEU HA 2.710 . 3.620 2.940 1.918 3.686 0.066 5 0 "[ . 1 . 2]" 1
156 1 13 ASN HB3 1 68 LEU MD2 3.250 . 4.710 3.007 2.402 3.742 . 0 0 "[ . 1 . 2]" 1
157 1 14 LEU H 1 14 LEU HB2 2.460 . 3.120 2.476 2.372 2.581 . 0 0 "[ . 1 . 2]" 1
158 1 14 LEU H 1 14 LEU HB3 2.460 . 3.120 2.527 2.430 2.619 . 0 0 "[ . 1 . 2]" 1
159 1 14 LEU H 1 14 LEU MD1 3.760 . 5.720 4.057 3.956 4.150 . 0 0 "[ . 1 . 2]" 1
160 1 14 LEU H 1 14 LEU MD2 3.470 . 5.150 4.241 4.227 4.258 . 0 0 "[ . 1 . 2]" 1
161 1 14 LEU H 1 14 LEU HG 3.770 . 5.750 4.487 4.431 4.523 . 0 0 "[ . 1 . 2]" 1
162 1 14 LEU H 1 15 ASN H 2.660 . 3.520 2.740 2.638 2.831 . 0 0 "[ . 1 . 2]" 1
163 1 14 LEU H 1 68 LEU MD2 3.690 . 5.580 3.413 2.782 4.088 . 0 0 "[ . 1 . 2]" 1
164 1 14 LEU HA 1 14 LEU MD1 2.720 . 3.640 2.081 2.011 2.161 . 0 0 "[ . 1 . 2]" 1
165 1 14 LEU HA 1 14 LEU MD2 3.650 . 5.510 3.888 3.865 3.914 . 0 0 "[ . 1 . 2]" 1
166 1 14 LEU HA 1 17 TYR QD 3.490 . 5.180 2.505 1.781 3.379 0.019 20 0 "[ . 1 . 2]" 1
167 1 14 LEU HA 1 68 LEU MD2 3.130 . 4.460 2.522 1.982 3.027 . 0 0 "[ . 1 . 2]" 1
168 1 14 LEU HB2 1 15 ASN H 2.890 . 3.980 3.805 3.689 3.897 . 0 0 "[ . 1 . 2]" 1
169 1 14 LEU HB3 1 15 ASN H 2.570 . 3.340 2.490 2.357 2.645 . 0 0 "[ . 1 . 2]" 1
170 1 14 LEU MD1 1 15 ASN H 4.080 . 6.370 4.477 4.394 4.529 . 0 0 "[ . 1 . 2]" 1
171 1 14 LEU MD1 1 17 TYR H 4.010 . 6.230 4.552 4.239 4.878 . 0 0 "[ . 1 . 2]" 1
172 1 14 LEU MD1 1 17 TYR QB 4.690 . 7.580 3.241 2.728 3.822 . 0 0 "[ . 1 . 2]" 1
173 1 14 LEU MD1 1 18 ILE H 3.890 . 5.980 4.211 3.914 4.517 . 0 0 "[ . 1 . 2]" 1
174 1 14 LEU MD1 1 39 PHE QE 3.840 . 5.880 3.980 3.200 4.430 . 0 0 "[ . 1 . 2]" 1
175 1 14 LEU MD1 1 39 PHE HZ 2.900 . 4.000 3.778 3.386 4.033 0.033 13 0 "[ . 1 . 2]" 1
176 1 14 LEU MD1 1 61 PHE QD 5.150 . 8.500 3.742 3.288 4.532 . 0 0 "[ . 1 . 2]" 1
177 1 14 LEU MD1 1 61 PHE QE 4.110 . 6.420 2.648 2.127 3.489 . 0 0 "[ . 1 . 2]" 1
178 1 14 LEU MD1 1 68 LEU MD2 4.030 . 6.270 2.340 2.089 2.813 . 0 0 "[ . 1 . 2]" 1
179 1 14 LEU MD2 1 15 ASN H 3.830 . 5.870 4.181 4.050 4.356 . 0 0 "[ . 1 . 2]" 1
180 1 14 LEU MD2 1 39 PHE QE 5.290 . 8.790 3.595 2.613 4.074 . 0 0 "[ . 1 . 2]" 1
181 1 14 LEU MD2 1 39 PHE HZ 4.140 . 6.480 3.744 2.867 4.163 . 0 0 "[ . 1 . 2]" 1
182 1 14 LEU MD2 1 42 TRP HB2 3.250 . 4.710 3.379 2.995 3.849 . 0 0 "[ . 1 . 2]" 1
183 1 14 LEU MD2 1 42 TRP HB3 3.130 . 4.460 2.925 2.438 3.536 . 0 0 "[ . 1 . 2]" 1
184 1 14 LEU MD2 1 42 TRP HE3 3.000 . 4.210 3.464 3.058 4.094 . 0 0 "[ . 1 . 2]" 1
185 1 14 LEU MD2 1 43 CYS H 3.630 . 5.470 4.241 3.429 4.961 . 0 0 "[ . 1 . 2]" 1
186 1 14 LEU MD2 1 43 CYS HA 3.160 . 4.530 3.310 2.115 4.536 0.006 6 0 "[ . 1 . 2]" 1
187 1 14 LEU HG 1 15 ASN H 3.390 . 4.990 3.743 3.520 3.870 . 0 0 "[ . 1 . 2]" 1
188 1 14 LEU HG 1 18 ILE MG 3.880 . 5.970 4.787 4.558 4.991 . 0 0 "[ . 1 . 2]" 1
189 1 15 ASN H 1 15 ASN HB2 2.670 . 3.550 2.296 2.076 2.420 . 0 0 "[ . 1 . 2]" 1
190 1 15 ASN H 1 15 ASN QB 2.500 . 3.200 2.202 2.052 2.330 . 0 0 "[ . 1 . 2]" 1
191 1 15 ASN H 1 15 ASN HB3 2.670 . 3.550 2.960 2.627 3.582 0.032 19 0 "[ . 1 . 2]" 1
192 1 15 ASN H 1 15 ASN HD21 3.900 . 6.000 3.928 2.310 4.768 . 0 0 "[ . 1 . 2]" 1
193 1 15 ASN H 1 15 ASN QD 3.770 . 5.740 3.800 2.287 4.563 . 0 0 "[ . 1 . 2]" 1
194 1 15 ASN H 1 15 ASN HD22 3.900 . 6.000 5.187 3.670 5.823 . 0 0 "[ . 1 . 2]" 1
195 1 15 ASN H 1 16 SER H 2.550 . 3.300 2.708 2.583 2.818 . 0 0 "[ . 1 . 2]" 1
196 1 15 ASN HA 1 18 ILE H 2.940 . 4.090 3.454 3.199 3.702 . 0 0 "[ . 1 . 2]" 1
197 1 15 ASN HA 1 18 ILE HB 2.510 . 3.230 2.652 2.393 2.822 . 0 0 "[ . 1 . 2]" 1
198 1 15 ASN HA 1 18 ILE HG13 3.340 . 4.880 3.389 2.936 4.348 . 0 0 "[ . 1 . 2]" 1
199 1 15 ASN HA 1 18 ILE MG 2.890 . 3.990 3.965 3.751 4.050 0.060 19 0 "[ . 1 . 2]" 1
200 1 15 ASN QB 1 16 SER H 2.870 . 3.950 2.668 2.479 2.825 . 0 0 "[ . 1 . 2]" 1
201 1 15 ASN HB2 1 16 SER H 3.050 . 4.310 3.527 2.637 3.902 . 0 0 "[ . 1 . 2]" 1
202 1 15 ASN HB3 1 16 SER H 3.050 . 4.310 2.897 2.517 3.608 . 0 0 "[ . 1 . 2]" 1
203 1 15 ASN QD 1 43 CYS HA 3.140 . 4.480 3.365 2.626 4.240 . 0 0 "[ . 1 . 2]" 1
204 1 15 ASN HD21 1 43 CYS HA 3.250 . 4.700 3.707 3.162 4.727 0.027 6 0 "[ . 1 . 2]" 1
205 1 15 ASN HD21 1 43 CYS HB2 3.900 . 6.000 4.958 3.770 6.025 0.025 1 0 "[ . 1 . 2]" 1
206 1 15 ASN HD22 1 43 CYS HA 3.250 . 4.700 4.340 2.700 4.810 0.110 5 0 "[ . 1 . 2]" 1
207 1 15 ASN HD22 1 43 CYS HB2 3.900 . 6.000 4.980 4.281 5.445 . 0 0 "[ . 1 . 2]" 1
208 1 16 SER H 1 17 TYR H 2.660 . 3.520 2.730 2.617 2.860 . 0 0 "[ . 1 . 2]" 1
209 1 16 SER HA 1 19 ALA H 3.140 . 4.490 3.725 3.436 4.060 . 0 0 "[ . 1 . 2]" 1
210 1 16 SER HA 1 19 ALA MB 3.360 . 4.930 3.070 2.629 3.482 . 0 0 "[ . 1 . 2]" 1
211 1 16 SER QB 1 68 LEU MD2 4.250 . 6.710 5.593 4.769 6.722 0.012 2 0 "[ . 1 . 2]" 1
212 1 17 TYR H 1 17 TYR HB2 2.750 . 3.700 2.450 2.300 2.620 . 0 0 "[ . 1 . 2]" 1
213 1 17 TYR H 1 17 TYR QB 2.590 . 3.390 2.411 2.273 2.561 . 0 0 "[ . 1 . 2]" 1
214 1 17 TYR H 1 17 TYR HB3 2.750 . 3.700 3.604 3.563 3.632 . 0 0 "[ . 1 . 2]" 1
215 1 17 TYR H 1 18 ILE H 2.530 . 3.260 2.562 2.433 2.696 . 0 0 "[ . 1 . 2]" 1
216 1 17 TYR HA 1 20 LYS H 2.710 . 3.620 3.503 3.151 3.695 0.075 2 0 "[ . 1 . 2]" 1
217 1 17 TYR HA 1 20 LYS HB2 2.890 . 3.980 2.976 2.355 3.914 . 0 0 "[ . 1 . 2]" 1
218 1 17 TYR HA 1 20 LYS QB 2.670 . 3.550 2.704 2.339 3.243 . 0 0 "[ . 1 . 2]" 1
219 1 17 TYR HA 1 20 LYS HB3 2.890 . 3.980 3.558 2.625 4.059 0.079 18 0 "[ . 1 . 2]" 1
220 1 17 TYR QB 1 61 PHE QD 4.470 . 7.140 3.201 2.655 4.204 . 0 0 "[ . 1 . 2]" 1
221 1 17 TYR HB2 1 18 ILE H 3.000 . 4.200 2.678 2.398 2.887 . 0 0 "[ . 1 . 2]" 1
222 1 17 TYR HB3 1 18 ILE H 3.000 . 4.200 3.633 3.374 3.986 . 0 0 "[ . 1 . 2]" 1
223 1 17 TYR QD 1 63 ILE MD 4.590 . 7.380 3.519 2.786 4.527 . 0 0 "[ . 1 . 2]" 1
224 1 17 TYR QD 1 63 ILE MG 4.530 . 7.270 4.228 3.367 5.293 . 0 0 "[ . 1 . 2]" 1
225 1 17 TYR QD 1 68 LEU MD2 3.980 . 6.160 2.805 2.120 3.776 . 0 0 "[ . 1 . 2]" 1
226 1 17 TYR QE 1 63 ILE MD 4.110 . 6.420 3.290 2.645 3.957 . 0 0 "[ . 1 . 2]" 1
227 1 17 TYR QE 1 63 ILE MG 3.870 . 5.950 3.676 2.540 5.010 . 0 0 "[ . 1 . 2]" 1
228 1 17 TYR QE 1 67 ASP QB 4.180 . 6.570 3.437 2.436 4.780 . 0 0 "[ . 1 . 2]" 1
229 1 17 TYR QE 1 68 LEU HA 3.790 . 5.790 3.892 2.629 5.606 . 0 0 "[ . 1 . 2]" 1
230 1 17 TYR QE 1 68 LEU MD2 4.230 . 6.670 2.685 1.860 4.117 . 0 0 "[ . 1 . 2]" 1
231 1 18 ILE H 1 18 ILE HB 2.460 . 3.120 2.531 2.380 2.629 . 0 0 "[ . 1 . 2]" 1
232 1 18 ILE H 1 18 ILE MD 3.420 . 5.040 3.496 3.419 3.589 . 0 0 "[ . 1 . 2]" 1
233 1 18 ILE H 1 18 ILE HG12 3.120 . 4.450 3.403 3.201 3.617 . 0 0 "[ . 1 . 2]" 1
234 1 18 ILE H 1 18 ILE HG13 2.580 . 3.370 2.083 1.888 2.303 . 0 0 "[ . 1 . 2]" 1
235 1 18 ILE H 1 18 ILE MG 3.110 . 4.430 3.763 3.733 3.787 . 0 0 "[ . 1 . 2]" 1
236 1 18 ILE H 1 19 ALA H 2.620 . 3.440 2.713 2.574 2.871 . 0 0 "[ . 1 . 2]" 1
237 1 18 ILE HA 1 18 ILE MD 2.930 . 4.070 3.848 3.808 3.886 . 0 0 "[ . 1 . 2]" 1
238 1 18 ILE HA 1 18 ILE HG12 2.980 . 4.160 2.570 2.499 2.641 . 0 0 "[ . 1 . 2]" 1
239 1 18 ILE HA 1 18 ILE HG13 2.980 . 4.160 2.962 2.814 3.049 . 0 0 "[ . 1 . 2]" 1
240 1 18 ILE HA 1 21 SER H 3.120 . 4.450 3.624 3.398 3.888 . 0 0 "[ . 1 . 2]" 1
241 1 18 ILE HA 1 21 SER QB 3.510 . 5.220 3.038 2.641 4.115 . 0 0 "[ . 1 . 2]" 1
242 1 18 ILE HA 1 28 ILE MD 3.330 . 4.860 3.025 2.487 3.551 . 0 0 "[ . 1 . 2]" 1
243 1 18 ILE HA 1 61 PHE QE 3.990 . 6.190 3.123 2.302 4.110 . 0 0 "[ . 1 . 2]" 1
244 1 18 ILE HA 1 61 PHE HZ 3.300 . 4.810 3.153 2.511 3.947 . 0 0 "[ . 1 . 2]" 1
245 1 18 ILE HB 1 18 ILE MD 2.700 . 3.600 2.389 2.358 2.432 . 0 0 "[ . 1 . 2]" 1
246 1 18 ILE HB 1 19 ALA H 2.460 . 3.120 2.525 2.379 2.682 . 0 0 "[ . 1 . 2]" 1
247 1 18 ILE MD 1 19 ALA H 3.200 . 4.610 4.463 4.286 4.590 . 0 0 "[ . 1 . 2]" 1
248 1 18 ILE MD 1 25 GLN HG2 3.740 . 5.690 3.348 2.381 4.831 . 0 0 "[ . 1 . 2]" 1
249 1 18 ILE MD 1 25 GLN QG 3.640 . 5.480 3.071 2.361 3.875 . 0 0 "[ . 1 . 2]" 1
250 1 18 ILE MD 1 25 GLN HG3 3.740 . 5.690 4.185 2.745 5.030 . 0 0 "[ . 1 . 2]" 1
251 1 18 ILE MD 1 61 PHE QE 5.100 . 8.400 4.048 3.446 4.297 . 0 0 "[ . 1 . 2]" 1
252 1 18 ILE HG12 1 28 ILE MD 2.970 . 4.140 2.456 2.048 2.868 . 0 0 "[ . 1 . 2]" 1
253 1 18 ILE HG12 1 61 PHE HZ 2.120 . 2.440 2.285 1.957 2.490 0.050 19 0 "[ . 1 . 2]" 1
254 1 18 ILE HG13 1 18 ILE MG 2.610 . 3.420 3.199 3.190 3.208 . 0 0 "[ . 1 . 2]" 1
255 1 18 ILE HG13 1 28 ILE MD 3.270 . 4.750 3.851 3.480 4.331 . 0 0 "[ . 1 . 2]" 1
256 1 18 ILE HG13 1 61 PHE HZ 2.490 . 3.190 3.175 2.859 3.226 0.036 2 0 "[ . 1 . 2]" 1
257 1 18 ILE MG 1 19 ALA H 3.560 . 5.330 3.358 3.144 3.602 . 0 0 "[ . 1 . 2]" 1
258 1 18 ILE MG 1 25 GLN HA 3.810 . 5.830 3.328 2.536 3.899 . 0 0 "[ . 1 . 2]" 1
259 1 18 ILE MG 1 25 GLN HG2 3.330 . 4.860 2.824 1.762 4.202 0.038 6 0 "[ . 1 . 2]" 1
260 1 18 ILE MG 1 25 GLN HG3 3.330 . 4.860 3.037 2.328 3.726 . 0 0 "[ . 1 . 2]" 1
261 1 18 ILE MG 1 28 ILE MD 4.340 . 6.890 2.139 1.771 2.551 0.019 6 0 "[ . 1 . 2]" 1
262 1 18 ILE MG 1 39 PHE QD 5.290 . 8.790 4.714 3.608 5.413 . 0 0 "[ . 1 . 2]" 1
263 1 18 ILE MG 1 39 PHE QE 4.030 . 6.270 2.883 2.119 3.580 . 0 0 "[ . 1 . 2]" 1
264 1 18 ILE MG 1 39 PHE HZ 2.680 . 3.560 3.580 3.415 3.660 0.100 18 0 "[ . 1 . 2]" 1
265 1 18 ILE MG 1 61 PHE HZ 3.490 . 5.180 3.800 3.279 4.317 . 0 0 "[ . 1 . 2]" 1
266 1 19 ALA H 1 19 ALA MB 2.610 . 3.420 2.245 2.227 2.266 . 0 0 "[ . 1 . 2]" 1
267 1 19 ALA H 1 20 LYS H 2.570 . 3.340 2.584 2.514 2.695 . 0 0 "[ . 1 . 2]" 1
268 1 19 ALA MB 1 20 LYS H 2.910 . 4.030 2.854 2.551 3.212 . 0 0 "[ . 1 . 2]" 1
269 1 20 LYS H 1 20 LYS HB2 2.600 . 3.410 2.336 2.123 2.526 . 0 0 "[ . 1 . 2]" 1
270 1 20 LYS H 1 20 LYS QB 2.440 . 3.080 2.238 2.102 2.360 . 0 0 "[ . 1 . 2]" 1
271 1 20 LYS H 1 20 LYS HB3 2.600 . 3.410 3.099 2.600 3.546 0.136 12 0 "[ . 1 . 2]" 1
272 1 20 LYS H 1 20 LYS QG 3.840 . 5.880 3.486 2.299 4.075 . 0 0 "[ . 1 . 2]" 1
273 1 20 LYS H 1 21 SER H 2.440 . 3.080 2.398 2.026 2.683 . 0 0 "[ . 1 . 2]" 1
274 1 20 LYS HA 1 20 LYS QD 4.140 . 6.490 3.608 1.850 4.190 . 0 0 "[ . 1 . 2]" 1
275 1 20 LYS HB2 1 20 LYS QE 4.340 . 6.880 3.798 2.666 4.501 . 0 0 "[ . 1 . 2]" 1
276 1 20 LYS HB2 1 21 SER H 2.750 . 3.700 3.481 2.715 3.838 0.138 11 0 "[ . 1 . 2]" 1
277 1 20 LYS HB3 1 20 LYS QE 4.340 . 6.880 3.582 1.925 4.494 . 0 0 "[ . 1 . 2]" 1
278 1 20 LYS HB3 1 21 SER H 2.750 . 3.700 3.278 2.565 3.856 0.156 17 0 "[ . 1 . 2]" 1
279 1 20 LYS QG 1 21 SER H 4.160 . 6.520 4.307 3.865 4.862 . 0 0 "[ . 1 . 2]" 1
280 1 21 SER H 1 21 SER HB2 2.600 . 3.410 2.620 2.414 3.560 0.150 12 0 "[ . 1 . 2]" 1
281 1 21 SER H 1 21 SER HB3 2.600 . 3.410 2.823 2.514 3.601 0.191 17 0 "[ . 1 . 2]" 1
282 1 21 SER HA 1 22 GLU H 2.620 . 3.440 2.782 2.184 3.469 0.029 18 0 "[ . 1 . 2]" 1
283 1 21 SER QB 1 23 LYS H 3.510 . 5.220 3.004 2.519 4.358 . 0 0 "[ . 1 . 2]" 1
284 1 21 SER QB 1 28 ILE MD 3.370 . 4.950 3.595 2.767 4.144 . 0 0 "[ . 1 . 2]" 1
285 1 21 SER QB 1 61 PHE QE 3.920 . 6.040 3.064 2.233 3.968 . 0 0 "[ . 1 . 2]" 1
286 1 21 SER HB2 1 28 ILE MD 3.440 . 5.080 4.351 3.404 5.097 0.017 2 0 "[ . 1 . 2]" 1
287 1 21 SER HB2 1 61 PHE QE 4.080 . 6.370 3.283 2.284 4.275 . 0 0 "[ . 1 . 2]" 1
288 1 21 SER HB3 1 28 ILE MD 3.440 . 5.080 3.988 2.908 5.118 0.038 10 0 "[ . 1 . 2]" 1
289 1 21 SER HB3 1 61 PHE QE 4.080 . 6.370 3.823 2.500 4.951 . 0 0 "[ . 1 . 2]" 1
290 1 22 GLU H 1 22 GLU HA 2.370 . 2.940 2.651 2.243 2.939 . 0 0 "[ . 1 . 2]" 1
291 1 22 GLU H 1 22 GLU HG2 3.590 . 5.390 4.026 1.985 5.215 . 0 0 "[ . 1 . 2]" 1
292 1 22 GLU H 1 22 GLU QG 3.430 . 5.070 3.307 1.953 4.500 . 0 0 "[ . 1 . 2]" 1
293 1 22 GLU H 1 22 GLU HG3 3.590 . 5.390 3.728 2.208 4.917 . 0 0 "[ . 1 . 2]" 1
294 1 22 GLU HA 1 22 GLU HG2 2.850 . 3.910 3.070 2.390 3.932 0.022 7 0 "[ . 1 . 2]" 1
295 1 22 GLU HA 1 22 GLU QG 2.710 . 3.630 2.563 2.237 3.345 . 0 0 "[ . 1 . 2]" 1
296 1 22 GLU HA 1 22 GLU HG3 2.850 . 3.910 2.921 2.298 3.807 . 0 0 "[ . 1 . 2]" 1
297 1 22 GLU HA 1 23 LYS H 2.640 . 3.480 3.063 2.140 3.519 0.039 6 0 "[ . 1 . 2]" 1
298 1 22 GLU QG 1 23 LYS H 4.340 . 6.880 4.174 3.481 4.699 . 0 0 "[ . 1 . 2]" 1
299 1 23 LYS H 1 23 LYS HB2 2.570 . 3.340 2.427 2.094 3.201 . 0 0 "[ . 1 . 2]" 1
300 1 23 LYS H 1 23 LYS QB 2.460 . 3.130 2.298 2.065 2.840 . 0 0 "[ . 1 . 2]" 1
301 1 23 LYS H 1 23 LYS HB3 2.570 . 3.340 3.247 2.619 3.557 0.217 11 0 "[ . 1 . 2]" 1
302 1 23 LYS H 1 23 LYS QD 4.270 . 6.740 3.565 2.377 5.009 . 0 0 "[ . 1 . 2]" 1
303 1 23 LYS H 1 23 LYS QG 3.580 . 5.370 3.704 2.640 4.273 . 0 0 "[ . 1 . 2]" 1
304 1 23 LYS QB 1 24 THR H 2.810 . 3.820 3.019 1.942 3.509 . 0 0 "[ . 1 . 2]" 1
305 1 23 LYS QB 1 28 ILE MD 3.160 . 4.530 2.928 1.952 3.579 . 0 0 "[ . 1 . 2]" 1
306 1 23 LYS HB2 1 24 THR H 3.050 . 4.310 4.091 3.281 4.359 0.049 9 0 "[ . 1 . 2]" 1
307 1 23 LYS HB2 1 28 ILE MD 3.330 . 4.860 3.714 1.985 4.885 0.025 16 0 "[ . 1 . 2]" 1
308 1 23 LYS HB3 1 24 THR H 3.050 . 4.310 3.131 1.956 3.817 . 0 0 "[ . 1 . 2]" 1
309 1 23 LYS HB3 1 28 ILE MD 3.330 . 4.860 3.240 2.391 4.016 . 0 0 "[ . 1 . 2]" 1
310 1 24 THR H 1 24 THR MG 2.750 . 3.710 2.590 2.271 3.725 0.015 11 0 "[ . 1 . 2]" 1
311 1 24 THR H 1 27 GLU H 3.340 . 4.880 3.785 3.217 4.479 . 0 0 "[ . 1 . 2]" 1
312 1 24 THR H 1 27 GLU HB2 2.760 . 3.730 2.695 1.979 3.468 . 0 0 "[ . 1 . 2]" 1
313 1 24 THR H 1 27 GLU QB 2.630 . 3.460 2.521 1.966 3.097 . 0 0 "[ . 1 . 2]" 1
314 1 24 THR H 1 27 GLU HB3 2.760 . 3.730 3.469 2.312 3.809 0.079 6 0 "[ . 1 . 2]" 1
315 1 24 THR H 1 27 GLU HG2 3.520 . 5.240 4.103 2.739 5.283 0.043 10 0 "[ . 1 . 2]" 1
316 1 24 THR H 1 27 GLU QG 3.380 . 4.970 3.308 2.331 4.715 . 0 0 "[ . 1 . 2]" 1
317 1 24 THR H 1 27 GLU HG3 3.520 . 5.240 3.627 2.519 5.335 0.095 8 0 "[ . 1 . 2]" 1
318 1 24 THR HA 1 24 THR HB 2.370 . 2.940 2.537 2.422 2.913 . 0 0 "[ . 1 . 2]" 1
319 1 24 THR HA 1 25 GLN H 2.330 . 2.870 2.322 2.170 2.496 . 0 0 "[ . 1 . 2]" 1
320 1 24 THR HA 1 26 LEU H 2.940 . 4.090 4.143 3.918 4.219 0.129 6 0 "[ . 1 . 2]" 1
321 1 24 THR HB 1 25 GLN H 2.480 . 3.160 2.604 2.096 3.267 0.107 11 0 "[ . 1 . 2]" 1
322 1 24 THR HB 1 26 LEU H 2.580 . 3.370 2.646 2.505 3.035 . 0 0 "[ . 1 . 2]" 1
323 1 24 THR MG 1 25 GLN H 3.510 . 5.220 3.502 2.363 3.729 . 0 0 "[ . 1 . 2]" 1
324 1 24 THR MG 1 26 LEU H 4.030 . 6.260 4.092 2.811 4.279 . 0 0 "[ . 1 . 2]" 1
325 1 25 GLN H 1 25 GLN HB2 2.730 . 3.660 2.487 2.391 2.651 . 0 0 "[ . 1 . 2]" 1
326 1 25 GLN H 1 25 GLN QB 2.560 . 3.320 2.443 2.357 2.588 . 0 0 "[ . 1 . 2]" 1
327 1 25 GLN H 1 25 GLN HB3 2.730 . 3.660 3.579 3.556 3.613 . 0 0 "[ . 1 . 2]" 1
328 1 25 GLN H 1 25 GLN HG2 3.410 . 5.030 3.490 3.294 3.846 . 0 0 "[ . 1 . 2]" 1
329 1 25 GLN H 1 25 GLN QG 3.010 . 4.230 2.322 1.904 3.230 . 0 0 "[ . 1 . 2]" 1
330 1 25 GLN H 1 25 GLN HG3 3.410 . 5.030 2.374 1.915 3.471 . 0 0 "[ . 1 . 2]" 1
331 1 25 GLN H 1 26 LEU H 2.530 . 3.260 2.649 2.551 2.738 . 0 0 "[ . 1 . 2]" 1
332 1 25 GLN HA 1 25 GLN HG2 2.910 . 4.020 2.790 2.466 3.685 . 0 0 "[ . 1 . 2]" 1
333 1 25 GLN HA 1 25 GLN QG 2.760 . 3.720 2.437 2.344 2.529 . 0 0 "[ . 1 . 2]" 1
334 1 25 GLN HA 1 25 GLN HG3 2.910 . 4.020 2.919 2.442 3.142 . 0 0 "[ . 1 . 2]" 1
335 1 25 GLN HA 1 28 ILE H 3.020 . 4.240 3.553 3.288 3.793 . 0 0 "[ . 1 . 2]" 1
336 1 25 GLN HA 1 28 ILE HB 2.640 . 3.480 3.042 2.700 3.429 . 0 0 "[ . 1 . 2]" 1
337 1 25 GLN HA 1 28 ILE MD 3.270 . 4.750 2.811 2.150 3.461 . 0 0 "[ . 1 . 2]" 1
338 1 25 GLN HA 1 39 PHE QE 3.830 . 5.860 2.794 2.103 3.544 . 0 0 "[ . 1 . 2]" 1
339 1 25 GLN QB 1 26 LEU H 2.550 . 3.300 2.577 2.456 2.746 . 0 0 "[ . 1 . 2]" 1
340 1 25 GLN QB 1 39 PHE QD 3.680 . 5.560 2.158 1.853 2.623 . 0 0 "[ . 1 . 2]" 1
341 1 25 GLN HB2 1 25 GLN HE22 4.760 . 7.730 3.997 3.353 4.403 . 0 0 "[ . 1 . 2]" 1
342 1 25 GLN HB2 1 26 LEU H 2.690 . 3.590 2.635 2.500 2.837 . 0 0 "[ . 1 . 2]" 1
343 1 25 GLN HB2 1 39 PHE QD 3.810 . 5.820 3.791 3.567 4.041 . 0 0 "[ . 1 . 2]" 1
344 1 25 GLN HB3 1 25 GLN HE22 4.760 . 7.730 4.038 3.474 5.013 . 0 0 "[ . 1 . 2]" 1
345 1 25 GLN HB3 1 26 LEU H 2.690 . 3.590 3.654 3.601 3.701 0.111 19 0 "[ . 1 . 2]" 1
346 1 25 GLN HB3 1 39 PHE QD 3.810 . 5.820 2.171 1.859 2.657 . 0 0 "[ . 1 . 2]" 1
347 1 25 GLN QE 1 40 ASN HA 3.770 . 5.740 3.569 1.878 5.780 0.040 8 0 "[ . 1 . 2]" 1
348 1 25 GLN QG 1 39 PHE QE 3.970 . 6.150 2.311 1.819 2.857 . 0 0 "[ . 1 . 2]" 1
349 1 25 GLN HG2 1 39 PHE QE 4.330 . 6.870 2.539 1.985 3.519 . 0 0 "[ . 1 . 2]" 1
350 1 25 GLN HG3 1 39 PHE QE 4.330 . 6.870 3.575 1.834 4.264 . 0 0 "[ . 1 . 2]" 1
351 1 26 LEU H 1 26 LEU HB2 2.460 . 3.120 2.090 2.027 2.587 . 0 0 "[ . 1 . 2]" 1
352 1 26 LEU H 1 26 LEU QB 2.360 . 2.920 2.059 2.003 2.519 . 0 0 "[ . 1 . 2]" 1
353 1 26 LEU H 1 26 LEU HB3 2.460 . 3.120 3.117 2.942 3.469 0.349 18 0 "[ . 1 . 2]" 1
354 1 26 LEU H 1 26 LEU MD1 3.540 . 5.290 3.942 3.518 4.090 . 0 0 "[ . 1 . 2]" 1
355 1 26 LEU H 1 26 LEU MD2 3.740 . 5.690 4.152 2.727 4.312 . 0 0 "[ . 1 . 2]" 1
356 1 26 LEU H 1 26 LEU HG 2.820 . 3.840 3.673 1.900 3.998 0.158 11 0 "[ . 1 . 2]" 1
357 1 26 LEU H 1 27 GLU H 2.660 . 3.520 2.701 2.539 2.874 . 0 0 "[ . 1 . 2]" 1
358 1 26 LEU HA 1 26 LEU MD1 3.580 . 5.360 3.760 3.703 3.857 . 0 0 "[ . 1 . 2]" 1
359 1 26 LEU HA 1 26 LEU MD2 4.100 . 6.410 2.296 2.027 2.598 . 0 0 "[ . 1 . 2]" 1
360 1 26 LEU HA 1 26 LEU HG 2.760 . 3.730 2.499 2.330 3.336 . 0 0 "[ . 1 . 2]" 1
361 1 26 LEU HA 1 29 ALA H 2.980 . 4.160 3.627 3.328 3.799 . 0 0 "[ . 1 . 2]" 1
362 1 26 LEU HA 1 29 ALA MB 3.060 . 4.320 2.684 2.308 2.910 . 0 0 "[ . 1 . 2]" 1
363 1 26 LEU HA 1 36 PRO HB2 3.180 . 4.560 4.353 3.456 4.638 0.078 19 0 "[ . 1 . 2]" 1
364 1 26 LEU HA 1 36 PRO QB 3.020 . 4.240 2.726 1.776 3.223 0.024 11 0 "[ . 1 . 2]" 1
365 1 26 LEU HA 1 36 PRO HB3 3.180 . 4.560 2.757 1.782 3.288 0.018 11 0 "[ . 1 . 2]" 1
366 1 26 LEU HB2 1 27 GLU H 2.620 . 3.440 3.189 2.249 3.401 . 0 0 "[ . 1 . 2]" 1
367 1 26 LEU HB3 1 27 GLU H 2.620 . 3.440 2.759 2.413 3.521 0.081 18 0 "[ . 1 . 2]" 1
368 1 26 LEU MD1 1 27 GLU H 3.870 . 5.940 4.586 4.211 4.882 . 0 0 "[ . 1 . 2]" 1
369 1 26 LEU MD1 1 36 PRO HB2 3.150 . 4.500 4.453 4.134 4.614 0.114 18 0 "[ . 1 . 2]" 1
370 1 26 LEU MD1 1 36 PRO HB3 3.150 . 4.500 3.937 3.417 4.334 . 0 0 "[ . 1 . 2]" 1
371 1 26 LEU MD1 1 36 PRO QG 3.250 . 4.710 3.371 2.876 4.327 . 0 0 "[ . 1 . 2]" 1
372 1 26 LEU MD2 1 27 GLU H 4.410 . 7.020 4.124 3.779 4.632 . 0 0 "[ . 1 . 2]" 1
373 1 26 LEU MD2 1 36 PRO HB2 3.670 . 5.540 4.077 2.266 4.921 . 0 0 "[ . 1 . 2]" 1
374 1 26 LEU MD2 1 36 PRO QB 3.410 . 5.020 2.975 1.799 4.035 0.001 7 0 "[ . 1 . 2]" 1
375 1 26 LEU MD2 1 36 PRO HB3 3.670 . 5.540 3.084 1.813 4.286 . 0 0 "[ . 1 . 2]" 1
376 1 26 LEU MD2 1 36 PRO QG 3.300 . 4.810 2.384 1.921 2.817 . 0 0 "[ . 1 . 2]" 1
377 1 27 GLU H 1 27 GLU HB2 2.580 . 3.370 2.180 2.027 2.432 . 0 0 "[ . 1 . 2]" 1
378 1 27 GLU H 1 27 GLU QB 2.490 . 3.180 2.129 2.004 2.392 . 0 0 "[ . 1 . 2]" 1
379 1 27 GLU H 1 27 GLU HB3 2.580 . 3.370 3.166 2.312 3.547 0.177 3 0 "[ . 1 . 2]" 1
380 1 27 GLU H 1 27 GLU HG2 2.980 . 4.160 3.486 2.153 4.409 0.249 8 0 "[ . 1 . 2]" 1
381 1 27 GLU H 1 27 GLU QG 2.870 . 3.940 3.240 2.135 3.844 . 0 0 "[ . 1 . 2]" 1
382 1 27 GLU H 1 27 GLU HG3 2.980 . 4.160 4.068 3.549 4.404 0.244 14 0 "[ . 1 . 2]" 1
383 1 27 GLU H 1 28 ILE H 2.490 . 3.190 2.730 2.640 2.868 . 0 0 "[ . 1 . 2]" 1
384 1 27 GLU HA 1 30 LYS H 2.850 . 3.910 3.709 3.509 3.923 0.013 12 0 "[ . 1 . 2]" 1
385 1 27 GLU HA 1 30 LYS QB 3.420 . 5.040 3.030 2.318 4.076 . 0 0 "[ . 1 . 2]" 1
386 1 27 GLU QB 1 28 ILE H 2.780 . 3.760 2.498 2.277 2.742 . 0 0 "[ . 1 . 2]" 1
387 1 27 GLU HB2 1 28 ILE H 2.930 . 4.060 3.075 2.556 3.842 . 0 0 "[ . 1 . 2]" 1
388 1 27 GLU HB3 1 28 ILE H 2.930 . 4.060 2.879 2.308 3.698 . 0 0 "[ . 1 . 2]" 1
389 1 28 ILE H 1 28 ILE HB 2.460 . 3.120 2.581 2.534 2.646 . 0 0 "[ . 1 . 2]" 1
390 1 28 ILE H 1 28 ILE MD 3.170 . 4.540 3.554 3.484 3.640 . 0 0 "[ . 1 . 2]" 1
391 1 28 ILE H 1 28 ILE HG12 2.820 . 3.840 3.302 3.179 3.440 . 0 0 "[ . 1 . 2]" 1
392 1 28 ILE H 1 28 ILE HG13 2.420 . 3.050 2.043 1.931 2.203 . 0 0 "[ . 1 . 2]" 1
393 1 28 ILE HA 1 28 ILE HG12 2.640 . 3.480 2.556 2.501 2.605 . 0 0 "[ . 1 . 2]" 1
394 1 28 ILE HA 1 28 ILE HG13 2.910 . 4.020 3.053 2.997 3.101 . 0 0 "[ . 1 . 2]" 1
395 1 28 ILE HA 1 31 SER H 2.850 . 3.910 3.474 3.271 3.747 . 0 0 "[ . 1 . 2]" 1
396 1 28 ILE HA 1 31 SER QB 3.240 . 4.690 2.891 2.466 3.456 . 0 0 "[ . 1 . 2]" 1
397 1 28 ILE HA 1 60 TYR QE 4.300 . 6.800 3.401 1.980 4.155 . 0 0 "[ . 1 . 2]" 1
398 1 28 ILE HB 1 29 ALA H 2.440 . 3.080 2.545 2.371 2.737 . 0 0 "[ . 1 . 2]" 1
399 1 28 ILE MD 1 29 ALA H 3.240 . 4.680 4.507 4.340 4.625 . 0 0 "[ . 1 . 2]" 1
400 1 28 ILE MD 1 39 PHE QE 5.020 . 8.250 3.122 2.506 3.811 . 0 0 "[ . 1 . 2]" 1
401 1 28 ILE MD 1 39 PHE HZ 3.170 . 4.540 2.645 2.315 3.256 . 0 0 "[ . 1 . 2]" 1
402 1 28 ILE MD 1 60 TYR QE 4.160 . 6.530 3.365 2.960 4.478 . 0 0 "[ . 1 . 2]" 1
403 1 28 ILE MD 1 61 PHE QE 4.070 . 6.340 3.064 2.717 3.414 . 0 0 "[ . 1 . 2]" 1
404 1 28 ILE MD 1 61 PHE HZ 2.790 . 3.780 2.151 1.794 2.620 0.006 5 0 "[ . 1 . 2]" 1
405 1 28 ILE HG12 1 60 TYR QE 3.430 . 5.070 2.454 2.072 3.587 . 0 0 "[ . 1 . 2]" 1
406 1 28 ILE MG 1 29 ALA H 3.330 . 4.860 3.458 3.201 3.662 . 0 0 "[ . 1 . 2]" 1
407 1 28 ILE MG 1 29 ALA HA 3.700 . 5.610 3.510 3.211 3.741 . 0 0 "[ . 1 . 2]" 1
408 1 28 ILE MG 1 31 SER QB 4.450 . 7.110 3.611 3.279 4.118 . 0 0 "[ . 1 . 2]" 1
409 1 28 ILE MG 1 32 ILE MD 4.590 . 7.390 2.656 2.119 3.169 . 0 0 "[ . 1 . 2]" 1
410 1 28 ILE MG 1 32 ILE QG 4.040 . 6.280 2.470 2.135 2.958 . 0 0 "[ . 1 . 2]" 1
411 1 28 ILE MG 1 39 PHE QD 5.240 . 8.680 3.864 3.587 4.310 . 0 0 "[ . 1 . 2]" 1
412 1 28 ILE MG 1 39 PHE QE 4.030 . 6.270 2.501 2.205 2.839 . 0 0 "[ . 1 . 2]" 1
413 1 28 ILE MG 1 39 PHE HZ 2.750 . 3.710 2.588 2.367 2.979 . 0 0 "[ . 1 . 2]" 1
414 1 28 ILE MG 1 57 LEU MD2 3.930 . 6.060 2.975 2.392 3.446 . 0 0 "[ . 1 . 2]" 1
415 1 28 ILE MG 1 60 TYR QD 4.610 . 7.420 2.833 1.907 3.325 . 0 0 "[ . 1 . 2]" 1
416 1 28 ILE MG 1 60 TYR QE 4.340 . 6.880 3.039 2.356 3.440 . 0 0 "[ . 1 . 2]" 1
417 1 28 ILE MG 1 61 PHE QE 4.660 . 7.530 3.112 2.726 3.634 . 0 0 "[ . 1 . 2]" 1
418 1 28 ILE MG 1 61 PHE HZ 3.270 . 4.750 3.205 2.839 3.603 . 0 0 "[ . 1 . 2]" 1
419 1 29 ALA H 1 29 ALA MB 2.610 . 3.420 2.234 2.218 2.245 . 0 0 "[ . 1 . 2]" 1
420 1 29 ALA HA 1 32 ILE H 2.930 . 4.060 3.407 3.234 3.640 . 0 0 "[ . 1 . 2]" 1
421 1 29 ALA HA 1 32 ILE HB 3.110 . 4.420 2.778 2.486 3.089 . 0 0 "[ . 1 . 2]" 1
422 1 29 ALA HA 1 32 ILE HG12 3.380 . 4.960 3.783 2.908 5.003 0.043 19 0 "[ . 1 . 2]" 1
423 1 29 ALA HA 1 32 ILE QG 3.100 . 4.400 3.122 2.614 3.552 . 0 0 "[ . 1 . 2]" 1
424 1 29 ALA HA 1 32 ILE HG13 3.380 . 4.960 3.502 2.962 4.105 . 0 0 "[ . 1 . 2]" 1
425 1 29 ALA HA 1 34 VAL H 3.070 . 4.340 3.746 3.473 3.967 . 0 0 "[ . 1 . 2]" 1
426 1 29 ALA HA 1 34 VAL MG2 3.070 . 4.350 2.532 2.289 2.811 . 0 0 "[ . 1 . 2]" 1
427 1 29 ALA HA 1 39 PHE QD 3.760 . 5.720 3.308 2.837 3.948 . 0 0 "[ . 1 . 2]" 1
428 1 29 ALA MB 1 30 LYS H 2.730 . 3.670 2.532 2.434 2.707 . 0 0 "[ . 1 . 2]" 1
429 1 29 ALA MB 1 30 LYS HA 4.060 . 6.330 3.836 3.776 3.906 . 0 0 "[ . 1 . 2]" 1
430 1 29 ALA MB 1 30 LYS QB 4.130 . 6.460 3.994 3.707 4.424 . 0 0 "[ . 1 . 2]" 1
431 1 29 ALA MB 1 36 PRO HA 2.890 . 3.990 2.529 2.265 2.897 . 0 0 "[ . 1 . 2]" 1
432 1 29 ALA MB 1 39 PHE H 3.720 . 5.650 3.797 3.459 4.142 . 0 0 "[ . 1 . 2]" 1
433 1 29 ALA MB 1 39 PHE HB2 3.060 . 4.320 2.320 1.951 2.602 . 0 0 "[ . 1 . 2]" 1
434 1 29 ALA MB 1 39 PHE HB3 3.240 . 4.680 2.925 2.606 3.335 . 0 0 "[ . 1 . 2]" 1
435 1 29 ALA MB 1 39 PHE QD 4.140 . 6.480 3.105 2.657 3.608 . 0 0 "[ . 1 . 2]" 1
436 1 30 LYS H 1 30 LYS QB 2.810 . 3.820 2.303 2.124 2.555 . 0 0 "[ . 1 . 2]" 1
437 1 30 LYS H 1 30 LYS QD 4.340 . 6.880 4.096 3.584 4.454 . 0 0 "[ . 1 . 2]" 1
438 1 30 LYS H 1 30 LYS HG2 3.560 . 5.320 3.874 2.436 4.495 . 0 0 "[ . 1 . 2]" 1
439 1 30 LYS H 1 30 LYS QG 3.190 . 4.580 3.206 2.113 4.029 . 0 0 "[ . 1 . 2]" 1
440 1 30 LYS H 1 30 LYS HG3 3.560 . 5.320 3.633 2.132 4.584 . 0 0 "[ . 1 . 2]" 1
441 1 30 LYS HA 1 30 LYS QD 4.140 . 6.490 3.602 1.992 4.245 . 0 0 "[ . 1 . 2]" 1
442 1 30 LYS HA 1 30 LYS HG2 2.940 . 4.090 2.923 2.355 4.225 0.135 7 0 "[ . 1 . 2]" 1
443 1 30 LYS HA 1 30 LYS QG 2.800 . 3.800 2.594 2.327 3.463 . 0 0 "[ . 1 . 2]" 1
444 1 30 LYS HA 1 30 LYS HG3 2.940 . 4.090 3.208 2.514 3.725 . 0 0 "[ . 1 . 2]" 1
445 1 30 LYS QB 1 31 SER H 3.020 . 4.250 2.705 2.511 3.641 . 0 0 "[ . 1 . 2]" 1
446 1 31 SER QB 1 32 ILE H 3.130 . 4.470 2.763 2.501 3.039 . 0 0 "[ . 1 . 2]" 1
447 1 31 SER QB 1 32 ILE MD 4.110 . 6.430 3.802 3.233 4.669 . 0 0 "[ . 1 . 2]" 1
448 1 31 SER QB 1 60 TYR QD 4.340 . 6.890 3.229 2.600 4.212 . 0 0 "[ . 1 . 2]" 1
449 1 31 SER QB 1 60 TYR QE 3.980 . 6.170 2.630 1.975 3.520 . 0 0 "[ . 1 . 2]" 1
450 1 32 ILE H 1 32 ILE HB 2.550 . 3.300 2.520 2.465 2.578 . 0 0 "[ . 1 . 2]" 1
451 1 32 ILE H 1 32 ILE MD 3.040 . 4.280 3.354 3.110 3.712 . 0 0 "[ . 1 . 2]" 1
452 1 32 ILE H 1 32 ILE HG12 2.840 . 3.880 2.695 2.176 3.682 . 0 0 "[ . 1 . 2]" 1
453 1 32 ILE H 1 32 ILE QG 2.600 . 3.410 2.223 2.036 2.386 . 0 0 "[ . 1 . 2]" 1
454 1 32 ILE H 1 32 ILE HG13 2.840 . 3.880 3.192 2.052 3.826 . 0 0 "[ . 1 . 2]" 1
455 1 32 ILE H 1 32 ILE MG 3.200 . 4.610 3.780 3.763 3.799 . 0 0 "[ . 1 . 2]" 1
456 1 32 ILE HA 1 32 ILE MD 3.020 . 4.250 2.643 1.942 3.877 . 0 0 "[ . 1 . 2]" 1
457 1 32 ILE HA 1 56 ALA MB 3.630 . 5.470 3.115 2.016 4.172 . 0 0 "[ . 1 . 2]" 1
458 1 32 ILE HB 1 33 GLY H 2.940 . 4.090 2.545 2.506 2.580 . 0 0 "[ . 1 . 2]" 1
459 1 32 ILE HB 1 34 VAL MG2 3.580 . 5.360 2.218 2.014 2.437 . 0 0 "[ . 1 . 2]" 1
460 1 32 ILE HB 1 56 ALA MB 3.310 . 4.820 4.584 3.959 4.859 0.039 3 0 "[ . 1 . 2]" 1
461 1 32 ILE MD 1 39 PHE QD 4.180 . 6.560 4.316 2.336 5.463 . 0 0 "[ . 1 . 2]" 1
462 1 32 ILE MD 1 39 PHE QE 4.030 . 6.270 3.653 2.095 4.592 . 0 0 "[ . 1 . 2]" 1
463 1 32 ILE MD 1 42 TRP HZ3 3.270 . 4.750 3.971 2.026 4.802 0.052 11 0 "[ . 1 . 2]" 1
464 1 32 ILE MD 1 56 ALA MB 4.020 . 6.240 2.627 2.094 3.658 . 0 0 "[ . 1 . 2]" 1
465 1 32 ILE MD 1 57 LEU H 3.420 . 5.040 3.614 3.032 4.347 . 0 0 "[ . 1 . 2]" 1
466 1 32 ILE MD 1 57 LEU HA 3.090 . 4.390 2.675 2.211 3.408 . 0 0 "[ . 1 . 2]" 1
467 1 32 ILE MD 1 57 LEU HG 3.350 . 4.900 3.238 2.493 3.698 . 0 0 "[ . 1 . 2]" 1
468 1 32 ILE MD 1 60 TYR H 4.160 . 6.520 4.465 3.731 6.173 . 0 0 "[ . 1 . 2]" 1
469 1 32 ILE MD 1 60 TYR HB2 3.720 . 5.650 3.188 2.223 5.289 . 0 0 "[ . 1 . 2]" 1
470 1 32 ILE MD 1 60 TYR QB 3.640 . 5.490 2.963 2.168 4.673 . 0 0 "[ . 1 . 2]" 1
471 1 32 ILE MD 1 60 TYR HB3 3.720 . 5.650 3.572 2.752 5.204 . 0 0 "[ . 1 . 2]" 1
472 1 32 ILE MD 1 60 TYR QD 4.460 . 7.130 3.861 2.616 5.412 . 0 0 "[ . 1 . 2]" 1
473 1 32 ILE QG 1 33 GLY H 3.520 . 5.240 3.952 3.883 4.010 . 0 0 "[ . 1 . 2]" 1
474 1 32 ILE QG 1 34 VAL H 3.740 . 5.690 4.718 4.340 4.999 . 0 0 "[ . 1 . 2]" 1
475 1 32 ILE HG12 1 33 GLY H 3.900 . 6.000 4.444 4.131 4.987 . 0 0 "[ . 1 . 2]" 1
476 1 32 ILE HG13 1 33 GLY H 3.900 . 6.000 4.639 4.068 4.961 . 0 0 "[ . 1 . 2]" 1
477 1 32 ILE MG 1 33 GLY H 3.780 . 5.760 3.411 3.348 3.478 . 0 0 "[ . 1 . 2]" 1
478 1 32 ILE MG 1 34 VAL H 3.340 . 4.890 3.508 2.739 3.888 . 0 0 "[ . 1 . 2]" 1
479 1 32 ILE MG 1 42 TRP HH2 2.910 . 4.030 3.251 2.626 4.025 . 0 0 "[ . 1 . 2]" 1
480 1 32 ILE MG 1 42 TRP HZ3 2.970 . 4.140 3.105 1.999 4.111 . 0 0 "[ . 1 . 2]" 1
481 1 32 ILE MG 1 56 ALA MB 4.030 . 6.270 2.162 1.834 2.415 . 0 0 "[ . 1 . 2]" 1
482 1 32 ILE MG 1 57 LEU H 3.420 . 5.040 4.129 3.677 4.745 . 0 0 "[ . 1 . 2]" 1
483 1 32 ILE MG 1 57 LEU HA 3.400 . 5.000 4.489 3.938 5.018 0.018 17 0 "[ . 1 . 2]" 1
484 1 32 ILE MG 1 57 LEU HG 3.360 . 4.930 3.626 2.983 4.517 . 0 0 "[ . 1 . 2]" 1
485 1 34 VAL H 1 34 VAL HB 2.800 . 3.800 3.787 3.649 3.848 0.048 4 0 "[ . 1 . 2]" 1
486 1 34 VAL H 1 34 VAL MG1 3.130 . 4.460 2.892 2.426 3.100 . 0 0 "[ . 1 . 2]" 1
487 1 34 VAL H 1 34 VAL MG2 2.730 . 3.670 2.118 1.921 2.240 . 0 0 "[ . 1 . 2]" 1
488 1 34 VAL HA 1 35 SER H 2.280 . 2.760 2.442 2.310 2.645 . 0 0 "[ . 1 . 2]" 1
489 1 34 VAL HB 1 35 SER H 2.400 . 3.010 2.306 1.958 2.574 . 0 0 "[ . 1 . 2]" 1
490 1 34 VAL HB 1 38 THR HB 2.730 . 3.660 2.506 1.908 2.893 . 0 0 "[ . 1 . 2]" 1
491 1 34 VAL HB 1 38 THR MG 3.070 . 4.350 3.078 2.480 3.653 . 0 0 "[ . 1 . 2]" 1
492 1 34 VAL MG1 1 35 SER H 3.200 . 4.610 3.597 3.517 3.725 . 0 0 "[ . 1 . 2]" 1
493 1 34 VAL MG1 1 38 THR HB 3.290 . 4.790 3.784 3.246 4.116 . 0 0 "[ . 1 . 2]" 1
494 1 34 VAL MG1 1 42 TRP HH2 2.610 . 3.420 2.092 1.770 2.805 0.030 5 0 "[ . 1 . 2]" 1
495 1 34 VAL MG1 1 42 TRP HZ2 2.750 . 3.710 3.447 2.892 3.725 0.015 4 0 "[ . 1 . 2]" 1
496 1 34 VAL MG1 1 42 TRP HZ3 3.670 . 5.540 3.666 2.856 4.271 . 0 0 "[ . 1 . 2]" 1
497 1 34 VAL MG1 1 53 LYS HB2 4.030 . 6.260 4.823 4.260 5.674 . 0 0 "[ . 1 . 2]" 1
498 1 34 VAL MG1 1 53 LYS QB 3.730 . 5.660 3.953 3.507 4.922 . 0 0 "[ . 1 . 2]" 1
499 1 34 VAL MG1 1 53 LYS HB3 4.030 . 6.260 4.236 3.639 5.400 . 0 0 "[ . 1 . 2]" 1
500 1 34 VAL MG1 1 53 LYS QD 4.150 . 6.500 3.234 1.792 4.181 0.008 19 0 "[ . 1 . 2]" 1
501 1 34 VAL MG1 1 53 LYS QE 3.620 . 5.450 2.871 1.983 4.475 . 0 0 "[ . 1 . 2]" 1
502 1 34 VAL MG1 1 53 LYS QG 4.250 . 6.710 2.841 2.173 3.676 . 0 0 "[ . 1 . 2]" 1
503 1 34 VAL MG2 1 35 SER H 3.290 . 4.790 3.369 2.993 3.585 . 0 0 "[ . 1 . 2]" 1
504 1 34 VAL MG2 1 38 THR HB 3.290 . 4.790 3.140 2.557 3.717 . 0 0 "[ . 1 . 2]" 1
505 1 34 VAL MG2 1 39 PHE H 3.310 . 4.820 3.501 3.156 3.898 . 0 0 "[ . 1 . 2]" 1
506 1 34 VAL MG2 1 39 PHE HA 3.760 . 5.720 3.698 3.377 4.029 . 0 0 "[ . 1 . 2]" 1
507 1 34 VAL MG2 1 39 PHE HB2 3.060 . 4.320 2.737 2.300 3.123 . 0 0 "[ . 1 . 2]" 1
508 1 34 VAL MG2 1 39 PHE HB3 3.540 . 5.290 4.181 3.751 4.540 . 0 0 "[ . 1 . 2]" 1
509 1 34 VAL MG2 1 39 PHE QD 3.870 . 5.940 2.899 2.326 3.498 . 0 0 "[ . 1 . 2]" 1
510 1 34 VAL MG2 1 42 TRP HH2 2.730 . 3.670 2.714 2.219 3.253 . 0 0 "[ . 1 . 2]" 1
511 1 34 VAL MG2 1 42 TRP HZ2 3.310 . 4.820 4.348 3.947 4.823 0.003 19 0 "[ . 1 . 2]" 1
512 1 34 VAL MG2 1 53 LYS QD 4.600 . 7.400 4.948 3.493 5.894 . 0 0 "[ . 1 . 2]" 1
513 1 35 SER H 1 35 SER HB2 2.780 . 3.770 2.579 2.446 3.541 . 0 0 "[ . 1 . 2]" 1
514 1 35 SER H 1 35 SER QB 2.610 . 3.430 2.492 2.409 2.705 . 0 0 "[ . 1 . 2]" 1
515 1 35 SER H 1 35 SER HB3 2.780 . 3.770 3.567 2.807 3.668 . 0 0 "[ . 1 . 2]" 1
516 1 35 SER H 1 38 THR HB 2.690 . 3.590 3.181 2.734 3.596 0.006 4 0 "[ . 1 . 2]" 1
517 1 35 SER H 1 38 THR MG 3.700 . 5.610 4.015 3.405 4.438 . 0 0 "[ . 1 . 2]" 1
518 1 35 SER HA 1 36 PRO QD 2.780 . 3.760 2.028 1.874 2.178 . 0 0 "[ . 1 . 2]" 1
519 1 35 SER QB 1 37 GLN H 3.640 . 5.480 2.772 2.543 2.944 . 0 0 "[ . 1 . 2]" 1
520 1 35 SER QB 1 38 THR H 3.200 . 4.600 2.720 2.441 3.337 . 0 0 "[ . 1 . 2]" 1
521 1 35 SER HB2 1 38 THR H 3.300 . 4.810 2.789 2.483 3.419 . 0 0 "[ . 1 . 2]" 1
522 1 35 SER HB3 1 38 THR H 3.300 . 4.810 3.790 3.508 4.660 . 0 0 "[ . 1 . 2]" 1
523 1 36 PRO HA 1 39 PHE HB2 2.690 . 3.590 3.094 2.562 3.591 0.001 20 0 "[ . 1 . 2]" 1
524 1 36 PRO HA 1 39 PHE HB3 2.550 . 3.300 2.648 2.282 3.096 . 0 0 "[ . 1 . 2]" 1
525 1 36 PRO HA 1 40 ASN H 3.140 . 4.490 4.019 3.717 4.238 . 0 0 "[ . 1 . 2]" 1
526 1 36 PRO QB 1 37 GLN H 2.980 . 4.170 2.995 2.633 3.283 . 0 0 "[ . 1 . 2]" 1
527 1 37 GLN H 1 37 GLN HB2 2.850 . 3.910 2.401 2.267 2.557 . 0 0 "[ . 1 . 2]" 1
528 1 37 GLN H 1 37 GLN QB 2.740 . 3.680 2.323 2.192 2.505 . 0 0 "[ . 1 . 2]" 1
529 1 37 GLN H 1 37 GLN HB3 2.850 . 3.910 3.292 2.600 3.604 . 0 0 "[ . 1 . 2]" 1
530 1 37 GLN H 1 38 THR H 3.020 . 4.240 2.621 2.475 2.812 . 0 0 "[ . 1 . 2]" 1
531 1 37 GLN HA 1 37 GLN HG2 2.870 . 3.950 2.759 2.361 3.716 . 0 0 "[ . 1 . 2]" 1
532 1 37 GLN HA 1 37 GLN QG 2.720 . 3.650 2.455 2.243 2.929 . 0 0 "[ . 1 . 2]" 1
533 1 37 GLN HA 1 37 GLN HG3 2.870 . 3.950 2.961 2.474 3.718 . 0 0 "[ . 1 . 2]" 1
534 1 37 GLN HA 1 40 ASN H 2.780 . 3.770 3.328 2.840 3.770 . 0 0 "[ . 1 . 2]" 1
535 1 37 GLN HA 1 40 ASN HB2 2.730 . 3.660 3.081 2.490 3.667 0.007 11 0 "[ . 1 . 2]" 1
536 1 37 GLN HA 1 40 ASN HB3 2.660 . 3.520 2.632 1.991 3.387 . 0 0 "[ . 1 . 2]" 1
537 1 37 GLN HB2 1 38 THR H 2.750 . 3.700 3.102 2.485 3.859 0.159 7 0 "[ . 1 . 2]" 1
538 1 37 GLN HB3 1 38 THR H 2.750 . 3.700 3.355 2.431 3.800 0.100 18 0 "[ . 1 . 2]" 1
539 1 38 THR H 1 38 THR HB 2.370 . 2.940 2.661 2.539 2.790 . 0 0 "[ . 1 . 2]" 1
540 1 38 THR H 1 38 THR MG 3.290 . 4.790 3.754 3.705 3.785 . 0 0 "[ . 1 . 2]" 1
541 1 38 THR H 1 39 PHE H 2.510 . 3.230 2.432 2.319 2.517 . 0 0 "[ . 1 . 2]" 1
542 1 38 THR H 1 39 PHE HB2 3.140 . 4.490 4.588 4.500 4.670 0.180 7 0 "[ . 1 . 2]" 1
543 1 38 THR HA 1 41 THR H 2.940 . 4.090 3.462 3.219 3.704 . 0 0 "[ . 1 . 2]" 1
544 1 38 THR HA 1 41 THR MG 3.040 . 4.280 3.481 2.760 3.969 . 0 0 "[ . 1 . 2]" 1
545 1 38 THR HB 1 39 PHE H 2.420 . 3.050 2.606 2.413 2.811 . 0 0 "[ . 1 . 2]" 1
546 1 38 THR MG 1 39 PHE H 3.430 . 5.070 3.729 3.615 3.919 . 0 0 "[ . 1 . 2]" 1
547 1 38 THR MG 1 39 PHE HA 3.960 . 6.120 3.946 3.710 4.191 . 0 0 "[ . 1 . 2]" 1
548 1 38 THR MG 1 41 THR H 3.920 . 6.050 4.691 4.537 4.993 . 0 0 "[ . 1 . 2]" 1
549 1 38 THR MG 1 42 TRP HD1 4.410 . 7.020 4.545 4.059 5.126 . 0 0 "[ . 1 . 2]" 1
550 1 38 THR MG 1 42 TRP HE1 2.820 . 3.850 3.182 2.647 3.753 . 0 0 "[ . 1 . 2]" 1
551 1 38 THR MG 1 42 TRP HH2 2.890 . 3.990 3.683 3.308 4.003 0.013 11 0 "[ . 1 . 2]" 1
552 1 38 THR MG 1 42 TRP HZ2 2.610 . 3.420 2.730 2.364 3.110 . 0 0 "[ . 1 . 2]" 1
553 1 39 PHE H 1 39 PHE HB2 2.370 . 2.940 2.354 2.226 2.476 . 0 0 "[ . 1 . 2]" 1
554 1 39 PHE H 1 39 PHE HB3 2.440 . 3.080 2.634 2.452 2.798 . 0 0 "[ . 1 . 2]" 1
555 1 39 PHE HA 1 42 TRP H 3.050 . 4.310 3.490 3.283 3.646 . 0 0 "[ . 1 . 2]" 1
556 1 39 PHE HB2 1 40 ASN H 2.840 . 3.880 3.773 3.690 3.870 . 0 0 "[ . 1 . 2]" 1
557 1 39 PHE HB3 1 40 ASN H 2.760 . 3.730 2.678 2.519 2.755 . 0 0 "[ . 1 . 2]" 1
558 1 39 PHE QD 1 57 LEU MD1 4.450 . 7.100 4.623 4.087 5.013 . 0 0 "[ . 1 . 2]" 1
559 1 39 PHE QD 1 57 LEU MD2 4.250 . 6.700 3.336 2.855 3.956 . 0 0 "[ . 1 . 2]" 1
560 1 39 PHE QE 1 57 LEU MD1 5.470 . 9.150 4.028 3.622 4.645 . 0 0 "[ . 1 . 2]" 1
561 1 39 PHE QE 1 57 LEU MD2 3.910 . 6.020 2.293 1.961 2.708 . 0 0 "[ . 1 . 2]" 1
562 1 40 ASN H 1 40 ASN HB2 2.330 . 2.870 2.524 2.255 2.752 . 0 0 "[ . 1 . 2]" 1
563 1 40 ASN H 1 40 ASN HB3 2.440 . 3.080 2.526 2.280 2.765 . 0 0 "[ . 1 . 2]" 1
564 1 40 ASN H 1 41 THR H 2.580 . 3.370 2.711 2.618 2.913 . 0 0 "[ . 1 . 2]" 1
565 1 40 ASN HA 1 43 CYS H 2.820 . 3.840 3.245 2.982 3.554 . 0 0 "[ . 1 . 2]" 1
566 1 40 ASN HA 1 43 CYS HB2 2.840 . 3.880 3.190 1.936 3.817 . 0 0 "[ . 1 . 2]" 1
567 1 40 ASN HA 1 43 CYS HB3 2.550 . 3.300 2.709 2.346 3.514 0.214 15 0 "[ . 1 . 2]" 1
568 1 40 ASN HB2 1 41 THR H 2.910 . 4.020 3.926 3.798 4.047 0.027 14 0 "[ . 1 . 2]" 1
569 1 40 ASN HB3 1 41 THR H 2.640 . 3.480 2.678 2.552 2.845 . 0 0 "[ . 1 . 2]" 1
570 1 40 ASN QD 1 44 LYS QG 4.080 . 6.370 3.250 2.368 4.032 . 0 0 "[ . 1 . 2]" 1
571 1 40 ASN HD21 1 44 LYS HG2 4.780 . 7.770 5.126 2.608 6.860 . 0 0 "[ . 1 . 2]" 1
572 1 40 ASN HD21 1 44 LYS HG3 4.780 . 7.770 4.620 3.530 5.336 . 0 0 "[ . 1 . 2]" 1
573 1 40 ASN HD22 1 44 LYS HG2 4.780 . 7.770 4.221 2.868 5.585 . 0 0 "[ . 1 . 2]" 1
574 1 40 ASN HD22 1 44 LYS HG3 4.780 . 7.770 3.709 2.513 4.425 . 0 0 "[ . 1 . 2]" 1
575 1 41 THR H 1 41 THR HB 2.800 . 3.800 3.602 3.416 3.651 . 0 0 "[ . 1 . 2]" 1
576 1 41 THR H 1 41 THR MG 2.640 . 3.490 2.487 2.109 3.053 . 0 0 "[ . 1 . 2]" 1
577 1 41 THR H 1 42 TRP H 2.570 . 3.340 2.617 2.529 2.690 . 0 0 "[ . 1 . 2]" 1
578 1 41 THR HA 1 41 THR HB 2.370 . 2.940 2.553 2.423 2.763 . 0 0 "[ . 1 . 2]" 1
579 1 41 THR HA 1 41 THR MG 2.710 . 3.630 2.262 2.149 2.402 . 0 0 "[ . 1 . 2]" 1
580 1 41 THR HA 1 44 LYS H 2.870 . 3.950 3.370 3.166 3.836 . 0 0 "[ . 1 . 2]" 1
581 1 41 THR HA 1 44 LYS HB2 2.750 . 3.700 2.695 2.306 3.654 . 0 0 "[ . 1 . 2]" 1
582 1 41 THR HA 1 44 LYS HB3 2.960 . 4.130 4.001 3.067 4.201 0.071 2 0 "[ . 1 . 2]" 1
583 1 41 THR HA 1 46 ILE HB 2.690 . 3.590 3.086 2.541 3.597 0.007 14 0 "[ . 1 . 2]" 1
584 1 41 THR HA 1 46 ILE MD 3.090 . 4.390 2.320 1.909 4.419 0.029 7 0 "[ . 1 . 2]" 1
585 1 41 THR HA 1 46 ILE MG 4.300 . 6.800 4.210 3.747 4.596 . 0 0 "[ . 1 . 2]" 1
586 1 41 THR HB 1 42 TRP H 3.160 . 4.520 3.805 3.311 4.020 . 0 0 "[ . 1 . 2]" 1
587 1 41 THR HB 1 46 ILE HB 2.490 . 3.190 2.377 1.968 3.062 . 0 0 "[ . 1 . 2]" 1
588 1 41 THR HB 1 46 ILE MD 3.530 . 5.260 3.178 2.465 4.949 . 0 0 "[ . 1 . 2]" 1
589 1 41 THR HB 1 46 ILE MG 3.070 . 4.350 3.348 2.896 3.887 . 0 0 "[ . 1 . 2]" 1
590 1 41 THR HB 1 47 ALA H 3.210 . 4.630 3.500 2.887 4.050 . 0 0 "[ . 1 . 2]" 1
591 1 41 THR HB 1 47 ALA MB 3.250 . 4.710 3.272 2.450 3.961 . 0 0 "[ . 1 . 2]" 1
592 1 41 THR MG 1 42 TRP H 3.450 . 5.110 4.152 3.841 4.279 . 0 0 "[ . 1 . 2]" 1
593 1 41 THR MG 1 46 ILE HB 3.470 . 5.150 3.133 2.504 3.613 . 0 0 "[ . 1 . 2]" 1
594 1 41 THR MG 1 46 ILE MD 3.910 . 6.020 2.085 1.778 4.123 0.022 16 0 "[ . 1 . 2]" 1
595 1 41 THR MG 1 46 ILE MG 4.140 . 6.490 3.111 2.602 3.597 . 0 0 "[ . 1 . 2]" 1
596 1 42 TRP H 1 42 TRP HB2 2.550 . 3.300 2.502 2.430 2.557 . 0 0 "[ . 1 . 2]" 1
597 1 42 TRP H 1 42 TRP HB3 2.710 . 3.620 3.617 3.600 3.641 0.021 10 0 "[ . 1 . 2]" 1
598 1 42 TRP H 1 42 TRP HD1 2.570 . 3.340 3.297 3.025 3.373 0.033 17 0 "[ . 1 . 2]" 1
599 1 42 TRP H 1 43 CYS H 2.530 . 3.260 2.446 2.269 2.552 . 0 0 "[ . 1 . 2]" 1
600 1 42 TRP HA 1 42 TRP HD1 2.170 . 2.540 2.293 2.189 2.365 . 0 0 "[ . 1 . 2]" 1
601 1 42 TRP HA 1 47 ALA H 2.890 . 3.980 3.205 2.949 3.426 . 0 0 "[ . 1 . 2]" 1
602 1 42 TRP HA 1 47 ALA MB 3.810 . 5.830 4.330 4.011 4.725 . 0 0 "[ . 1 . 2]" 1
603 1 42 TRP HB2 1 42 TRP HE3 2.930 . 4.060 2.625 2.534 2.743 . 0 0 "[ . 1 . 2]" 1
604 1 42 TRP HB2 1 43 CYS H 2.640 . 3.480 2.540 2.384 2.646 . 0 0 "[ . 1 . 2]" 1
605 1 42 TRP HB3 1 43 CYS H 3.250 . 4.700 3.634 3.524 3.758 . 0 0 "[ . 1 . 2]" 1
606 1 42 TRP HD1 1 47 ALA H 2.850 . 3.910 3.444 3.264 3.606 . 0 0 "[ . 1 . 2]" 1
607 1 42 TRP HD1 1 47 ALA MB 2.610 . 3.420 3.042 2.678 3.437 0.017 8 0 "[ . 1 . 2]" 1
608 1 42 TRP HE1 1 47 ALA MB 3.060 . 4.320 3.589 3.269 3.976 . 0 0 "[ . 1 . 2]" 1
609 1 42 TRP HE1 1 49 PRO HA 3.390 . 4.990 3.390 2.890 4.242 . 0 0 "[ . 1 . 2]" 1
610 1 42 TRP HE1 1 49 PRO HD3 3.900 . 6.000 3.200 2.847 3.634 . 0 0 "[ . 1 . 2]" 1
611 1 42 TRP HH2 1 53 LYS QB 2.740 . 3.680 3.123 2.639 3.743 0.063 19 0 "[ . 1 . 2]" 1
612 1 42 TRP HH2 1 53 LYS QD 3.600 . 5.410 3.623 1.829 4.922 . 0 0 "[ . 1 . 2]" 1
613 1 42 TRP HH2 1 53 LYS QG 3.390 . 4.980 2.825 1.801 4.302 . 0 0 "[ . 1 . 2]" 1
614 1 42 TRP HZ2 1 49 PRO HB2 2.750 . 3.700 3.763 3.719 3.799 0.099 4 0 "[ . 1 . 2]" 1
615 1 42 TRP HZ2 1 49 PRO HB3 2.240 . 2.690 2.423 2.270 2.691 0.001 15 0 "[ . 1 . 2]" 1
616 1 42 TRP HZ2 1 53 LYS QG 3.600 . 5.410 3.603 2.537 5.154 . 0 0 "[ . 1 . 2]" 1
617 1 42 TRP HZ3 1 57 LEU MD1 3.020 . 4.250 3.336 2.847 4.152 . 0 0 "[ . 1 . 2]" 1
618 1 43 CYS H 1 43 CYS HB2 2.840 . 3.880 2.449 2.202 2.588 . 0 0 "[ . 1 . 2]" 1
619 1 43 CYS H 1 43 CYS HB3 2.620 . 3.440 2.642 2.410 3.533 0.093 14 0 "[ . 1 . 2]" 1
620 1 43 CYS H 1 44 LYS H 2.550 . 3.300 2.615 2.534 2.734 . 0 0 "[ . 1 . 2]" 1
621 1 43 CYS HA 1 45 GLY H 2.690 . 3.590 3.663 3.625 3.702 0.112 13 0 "[ . 1 . 2]" 1
622 1 43 CYS HB2 1 44 LYS H 3.050 . 4.310 3.836 2.726 4.134 . 0 0 "[ . 1 . 2]" 1
623 1 43 CYS HB3 1 44 LYS H 2.760 . 3.730 2.909 2.633 3.744 0.014 14 0 "[ . 1 . 2]" 1
624 1 44 LYS H 1 44 LYS HB2 2.370 . 2.940 2.217 2.041 2.388 . 0 0 "[ . 1 . 2]" 1
625 1 44 LYS H 1 44 LYS HB3 2.580 . 3.370 3.419 2.708 3.563 0.193 3 0 "[ . 1 . 2]" 1
626 1 44 LYS H 1 44 LYS HG2 2.910 . 4.020 3.411 2.452 4.401 0.381 17 0 "[ . 1 . 2]" 1
627 1 44 LYS H 1 44 LYS QG 2.800 . 3.800 2.948 2.425 3.803 0.003 17 0 "[ . 1 . 2]" 1
628 1 44 LYS H 1 44 LYS HG3 2.910 . 4.020 3.622 2.679 4.246 0.226 20 0 "[ . 1 . 2]" 1
629 1 44 LYS HA 1 44 LYS QD 3.730 . 5.660 2.863 1.887 4.149 . 0 0 "[ . 1 . 2]" 1
630 1 44 LYS HA 1 44 LYS HG2 2.750 . 3.700 2.572 2.172 3.138 . 0 0 "[ . 1 . 2]" 1
631 1 44 LYS HA 1 44 LYS QG 2.600 . 3.410 2.472 2.152 2.979 . 0 0 "[ . 1 . 2]" 1
632 1 44 LYS HA 1 44 LYS HG3 2.750 . 3.700 3.339 2.359 3.711 0.011 13 0 "[ . 1 . 2]" 1
633 1 44 LYS HB2 1 45 GLY H 3.210 . 4.630 3.619 3.422 4.098 . 0 0 "[ . 1 . 2]" 1
634 1 44 LYS HB2 1 46 ILE MD 3.170 . 4.540 2.841 2.575 3.552 . 0 0 "[ . 1 . 2]" 1
635 1 44 LYS HB2 1 46 ILE QG 3.820 . 5.840 2.479 2.039 3.548 . 0 0 "[ . 1 . 2]" 1
636 1 44 LYS HB3 1 46 ILE MD 3.290 . 4.790 2.780 2.584 3.015 . 0 0 "[ . 1 . 2]" 1
637 1 44 LYS HB3 1 46 ILE HG12 3.560 . 5.320 3.300 2.374 3.711 . 0 0 "[ . 1 . 2]" 1
638 1 44 LYS HB3 1 46 ILE QG 3.450 . 5.100 2.223 1.778 2.550 0.022 20 0 "[ . 1 . 2]" 1
639 1 44 LYS HB3 1 46 ILE HG13 3.560 . 5.320 2.313 1.787 3.455 0.013 20 0 "[ . 1 . 2]" 1
640 1 45 GLY H 1 46 ILE H 2.550 . 3.300 2.660 2.539 2.808 . 0 0 "[ . 1 . 2]" 1
641 1 46 ILE H 1 46 ILE HB 2.390 . 2.980 2.511 2.475 2.578 . 0 0 "[ . 1 . 2]" 1
642 1 46 ILE H 1 46 ILE MD 3.440 . 5.080 3.679 3.324 3.826 . 0 0 "[ . 1 . 2]" 1
643 1 46 ILE H 1 46 ILE HG12 2.840 . 3.880 3.507 2.342 3.726 . 0 0 "[ . 1 . 2]" 1
644 1 46 ILE H 1 46 ILE QG 2.760 . 3.720 2.310 2.086 2.486 . 0 0 "[ . 1 . 2]" 1
645 1 46 ILE H 1 46 ILE HG13 2.840 . 3.880 2.411 2.106 3.763 . 0 0 "[ . 1 . 2]" 1
646 1 46 ILE H 1 47 ALA H 2.350 . 2.900 2.366 2.062 2.604 . 0 0 "[ . 1 . 2]" 1
647 1 46 ILE HA 1 46 ILE MD 3.290 . 4.790 3.742 1.969 3.869 . 0 0 "[ . 1 . 2]" 1
648 1 46 ILE HA 1 46 ILE HG12 2.690 . 3.590 2.564 2.494 3.084 . 0 0 "[ . 1 . 2]" 1
649 1 46 ILE HA 1 46 ILE HG13 2.690 . 3.590 3.064 2.980 3.699 0.109 7 0 "[ . 1 . 2]" 1
650 1 46 ILE HB 1 47 ALA H 2.660 . 3.520 2.604 2.199 2.888 . 0 0 "[ . 1 . 2]" 1
651 1 46 ILE QG 1 47 ALA H 4.280 . 6.770 3.964 3.841 4.079 . 0 0 "[ . 1 . 2]" 1
652 1 46 ILE MG 1 47 ALA H 3.560 . 5.330 3.458 3.152 3.677 . 0 0 "[ . 1 . 2]" 1
653 1 47 ALA HA 1 48 ILE H 2.220 . 2.650 2.290 2.186 2.489 . 0 0 "[ . 1 . 2]" 1
654 1 47 ALA MB 1 48 ILE H 2.710 . 3.630 2.609 2.227 2.956 . 0 0 "[ . 1 . 2]" 1
655 1 48 ILE H 1 48 ILE HB 2.490 . 3.190 2.530 2.459 2.644 . 0 0 "[ . 1 . 2]" 1
656 1 48 ILE H 1 48 ILE MD 4.230 . 6.660 3.849 2.223 4.237 . 0 0 "[ . 1 . 2]" 1
657 1 48 ILE H 1 48 ILE HG12 3.410 . 5.030 4.000 3.801 4.303 . 0 0 "[ . 1 . 2]" 1
658 1 48 ILE H 1 48 ILE HG13 3.250 . 4.700 2.862 2.544 3.664 . 0 0 "[ . 1 . 2]" 1
659 1 48 ILE H 1 48 ILE MG 3.180 . 4.570 3.796 3.764 3.836 . 0 0 "[ . 1 . 2]" 1
660 1 48 ILE HA 1 48 ILE HG12 2.930 . 4.060 2.568 2.390 3.629 . 0 0 "[ . 1 . 2]" 1
661 1 48 ILE HA 1 49 PRO HD2 2.400 . 3.010 2.048 1.919 2.179 . 0 0 "[ . 1 . 2]" 1
662 1 48 ILE HA 1 49 PRO HD3 2.350 . 2.900 2.349 2.231 2.442 . 0 0 "[ . 1 . 2]" 1
663 1 48 ILE HB 1 49 PRO HD2 3.000 . 4.200 4.202 4.121 4.259 0.059 12 0 "[ . 1 . 2]" 1
664 1 48 ILE HB 1 49 PRO HD3 3.700 . 5.600 5.070 4.969 5.166 . 0 0 "[ . 1 . 2]" 1
665 1 48 ILE HG13 1 49 PRO HD2 3.160 . 4.520 4.546 3.839 4.606 0.086 10 0 "[ . 1 . 2]" 1
666 1 48 ILE MG 1 49 PRO HD2 3.000 . 4.210 2.086 1.909 2.261 . 0 0 "[ . 1 . 2]" 1
667 1 48 ILE MG 1 49 PRO HD3 3.720 . 5.650 3.511 3.374 3.685 . 0 0 "[ . 1 . 2]" 1
668 1 49 PRO HA 1 50 ARG H 2.310 . 2.830 2.371 2.220 2.646 . 0 0 "[ . 1 . 2]" 1
669 1 49 PRO HB2 1 50 ARG H 2.600 . 3.410 2.722 2.072 3.187 . 0 0 "[ . 1 . 2]" 1
670 1 49 PRO HB2 1 54 VAL MG2 3.150 . 4.500 2.996 2.548 3.284 . 0 0 "[ . 1 . 2]" 1
671 1 49 PRO HB3 1 50 ARG H 2.850 . 3.910 3.531 3.178 3.829 . 0 0 "[ . 1 . 2]" 1
672 1 49 PRO HB3 1 53 LYS HB2 3.110 . 4.420 3.584 3.059 4.424 0.004 19 0 "[ . 1 . 2]" 1
673 1 49 PRO HB3 1 53 LYS QB 3.000 . 4.200 3.080 2.771 3.812 . 0 0 "[ . 1 . 2]" 1
674 1 49 PRO HB3 1 53 LYS HB3 3.110 . 4.420 3.452 2.963 4.430 0.010 18 0 "[ . 1 . 2]" 1
675 1 49 PRO HB3 1 54 VAL MG2 3.520 . 5.250 4.243 3.934 4.438 . 0 0 "[ . 1 . 2]" 1
676 1 49 PRO HD2 1 54 VAL MG2 3.340 . 4.890 3.477 2.881 3.991 . 0 0 "[ . 1 . 2]" 1
677 1 49 PRO QG 1 54 VAL MG2 3.170 . 4.540 2.048 1.779 2.365 0.021 14 0 "[ . 1 . 2]" 1
678 1 49 PRO QG 1 57 LEU MD1 4.310 . 6.830 2.455 2.090 2.842 . 0 0 "[ . 1 . 2]" 1
679 1 49 PRO HG2 1 54 VAL MG2 3.380 . 4.970 2.064 1.787 2.392 0.003 14 0 "[ . 1 . 2]" 1
680 1 49 PRO HG3 1 54 VAL MG2 3.380 . 4.970 3.437 3.240 3.733 . 0 0 "[ . 1 . 2]" 1
681 1 50 ARG H 1 50 ARG HB2 2.710 . 3.620 2.427 2.210 2.611 . 0 0 "[ . 1 . 2]" 1
682 1 50 ARG H 1 50 ARG QB 2.560 . 3.320 2.346 2.148 2.551 . 0 0 "[ . 1 . 2]" 1
683 1 50 ARG H 1 50 ARG HB3 2.710 . 3.620 3.291 2.590 3.650 0.030 13 0 "[ . 1 . 2]" 1
684 1 50 ARG H 1 50 ARG QD 4.340 . 6.880 4.219 3.441 4.797 . 0 0 "[ . 1 . 2]" 1
685 1 50 ARG H 1 50 ARG QG 3.260 . 4.720 3.013 1.934 3.996 . 0 0 "[ . 1 . 2]" 1
686 1 50 ARG HA 1 50 ARG QD 4.340 . 6.880 3.791 1.951 4.257 . 0 0 "[ . 1 . 2]" 1
687 1 50 ARG HA 1 51 MET H 2.640 . 3.480 2.503 2.319 2.800 . 0 0 "[ . 1 . 2]" 1
688 1 51 MET H 1 51 MET HB2 2.890 . 3.980 2.789 2.278 3.610 . 0 0 "[ . 1 . 2]" 1
689 1 51 MET H 1 51 MET QB 2.730 . 3.670 2.344 2.214 2.502 . 0 0 "[ . 1 . 2]" 1
690 1 51 MET H 1 51 MET HB3 2.890 . 3.980 2.818 2.468 3.601 . 0 0 "[ . 1 . 2]" 1
691 1 51 MET H 1 51 MET QG 4.140 . 6.490 3.085 2.107 4.051 . 0 0 "[ . 1 . 2]" 1
692 1 51 MET HA 1 51 MET ME 3.430 . 5.070 3.785 1.735 4.440 0.055 11 0 "[ . 1 . 2]" 1
693 1 51 MET HA 1 54 VAL H 2.750 . 3.700 3.295 3.088 3.573 . 0 0 "[ . 1 . 2]" 1
694 1 51 MET HA 1 54 VAL HB 2.350 . 2.900 2.339 2.016 2.637 . 0 0 "[ . 1 . 2]" 1
695 1 51 MET HA 1 54 VAL MG2 2.930 . 4.070 2.762 2.263 3.409 . 0 0 "[ . 1 . 2]" 1
696 1 52 GLY QA 1 55 GLN H 3.350 . 4.910 3.780 3.342 4.162 . 0 0 "[ . 1 . 2]" 1
697 1 52 GLY QA 1 55 GLN QB 4.630 . 7.470 3.219 2.591 4.256 . 0 0 "[ . 1 . 2]" 1
698 1 52 GLY HA2 1 55 GLN H 3.540 . 5.280 3.919 3.431 4.356 . 0 0 "[ . 1 . 2]" 1
699 1 52 GLY HA3 1 55 GLN H 3.540 . 5.280 4.976 4.607 5.288 0.008 16 0 "[ . 1 . 2]" 1
700 1 53 LYS H 1 53 LYS HB2 2.690 . 3.590 2.307 2.148 2.499 . 0 0 "[ . 1 . 2]" 1
701 1 53 LYS H 1 53 LYS QB 2.540 . 3.280 2.264 2.126 2.457 . 0 0 "[ . 1 . 2]" 1
702 1 53 LYS H 1 53 LYS HB3 2.690 . 3.590 3.414 2.731 3.632 0.042 10 0 "[ . 1 . 2]" 1
703 1 53 LYS H 1 53 LYS QD 4.340 . 6.880 3.362 2.123 4.681 . 0 0 "[ . 1 . 2]" 1
704 1 53 LYS H 1 53 LYS QG 3.660 . 5.520 3.491 2.358 4.092 . 0 0 "[ . 1 . 2]" 1
705 1 53 LYS H 1 54 VAL H 2.390 . 2.980 2.292 2.111 2.511 . 0 0 "[ . 1 . 2]" 1
706 1 53 LYS H 1 54 VAL MG2 3.520 . 5.250 3.701 3.560 3.927 . 0 0 "[ . 1 . 2]" 1
707 1 53 LYS HA 1 53 LYS QD 3.920 . 6.050 3.036 1.818 4.028 . 0 0 "[ . 1 . 2]" 1
708 1 53 LYS HA 1 56 ALA H 2.550 . 3.300 3.156 2.876 3.339 0.039 13 0 "[ . 1 . 2]" 1
709 1 53 LYS HA 1 56 ALA MB 2.750 . 3.710 2.624 2.225 3.143 . 0 0 "[ . 1 . 2]" 1
710 1 53 LYS QB 1 54 VAL H 2.700 . 3.610 2.852 2.634 3.061 . 0 0 "[ . 1 . 2]" 1
711 1 53 LYS QB 1 54 VAL MG2 3.750 . 5.710 3.506 3.255 3.750 . 0 0 "[ . 1 . 2]" 1
712 1 53 LYS HB2 1 54 VAL H 2.780 . 3.770 3.137 2.703 3.803 0.033 19 0 "[ . 1 . 2]" 1
713 1 53 LYS HB2 1 54 VAL MG2 3.830 . 5.870 3.919 3.358 4.822 . 0 0 "[ . 1 . 2]" 1
714 1 53 LYS HB3 1 54 VAL H 2.780 . 3.770 3.472 2.804 3.802 0.032 14 0 "[ . 1 . 2]" 1
715 1 53 LYS HB3 1 54 VAL MG2 3.830 . 5.870 4.139 3.419 4.532 . 0 0 "[ . 1 . 2]" 1
716 1 54 VAL H 1 54 VAL HB 2.370 . 2.940 2.548 2.503 2.592 . 0 0 "[ . 1 . 2]" 1
717 1 54 VAL H 1 54 VAL MG1 3.200 . 4.610 3.779 3.767 3.789 . 0 0 "[ . 1 . 2]" 1
718 1 54 VAL H 1 54 VAL MG2 2.620 . 3.450 2.101 1.994 2.212 . 0 0 "[ . 1 . 2]" 1
719 1 54 VAL H 1 55 GLN H 2.510 . 3.230 2.652 2.597 2.724 . 0 0 "[ . 1 . 2]" 1
720 1 54 VAL HA 1 54 VAL MG1 2.750 . 3.710 2.420 2.381 2.483 . 0 0 "[ . 1 . 2]" 1
721 1 54 VAL HA 1 57 LEU H 2.780 . 3.770 3.335 3.085 3.458 . 0 0 "[ . 1 . 2]" 1
722 1 54 VAL HA 1 57 LEU HB2 2.730 . 3.660 2.745 2.421 2.899 . 0 0 "[ . 1 . 2]" 1
723 1 54 VAL HA 1 57 LEU HB3 3.110 . 4.420 4.308 3.992 4.441 0.021 14 0 "[ . 1 . 2]" 1
724 1 54 VAL HA 1 57 LEU MD1 3.060 . 4.320 2.202 1.915 2.465 . 0 0 "[ . 1 . 2]" 1
725 1 54 VAL HA 1 58 ALA H 3.630 . 5.460 4.071 3.851 4.344 . 0 0 "[ . 1 . 2]" 1
726 1 54 VAL HB 1 55 GLN H 2.400 . 3.010 2.629 2.515 2.787 . 0 0 "[ . 1 . 2]" 1
727 1 54 VAL MG1 1 55 GLN H 3.180 . 4.570 3.453 3.338 3.602 . 0 0 "[ . 1 . 2]" 1
728 1 54 VAL MG1 1 57 LEU HB2 3.440 . 5.080 3.499 2.987 3.766 . 0 0 "[ . 1 . 2]" 1
729 1 54 VAL MG1 1 58 ALA H 3.130 . 4.460 3.789 3.386 4.084 . 0 0 "[ . 1 . 2]" 1
730 1 54 VAL MG1 1 65 LYS HA 2.950 . 4.100 3.350 2.521 4.026 . 0 0 "[ . 1 . 2]" 1
731 1 54 VAL MG1 1 65 LYS HB2 3.200 . 4.610 3.160 2.271 4.454 . 0 0 "[ . 1 . 2]" 1
732 1 54 VAL MG1 1 65 LYS QB 3.100 . 4.400 2.888 2.181 3.790 . 0 0 "[ . 1 . 2]" 1
733 1 54 VAL MG1 1 65 LYS HB3 3.200 . 4.610 3.481 2.816 4.261 . 0 0 "[ . 1 . 2]" 1
734 1 54 VAL MG1 1 65 LYS QG 3.950 . 6.100 4.386 1.827 5.539 . 0 0 "[ . 1 . 2]" 1
735 1 54 VAL MG2 1 55 GLN H 3.540 . 5.290 3.826 3.739 3.925 . 0 0 "[ . 1 . 2]" 1
736 1 55 GLN H 1 55 GLN HG2 3.720 . 5.640 3.744 1.849 4.610 . 0 0 "[ . 1 . 2]" 1
737 1 55 GLN H 1 55 GLN QG 3.370 . 4.940 3.393 1.840 4.062 . 0 0 "[ . 1 . 2]" 1
738 1 55 GLN H 1 55 GLN HG3 3.720 . 5.640 4.182 3.348 4.528 . 0 0 "[ . 1 . 2]" 1
739 1 55 GLN H 1 56 ALA H 2.490 . 3.190 2.677 2.551 2.821 . 0 0 "[ . 1 . 2]" 1
740 1 55 GLN HA 1 55 GLN QE 4.330 . 6.860 2.733 1.613 3.785 0.187 9 0 "[ . 1 . 2]" 1
741 1 55 GLN HA 1 58 ALA H 2.760 . 3.730 3.510 3.291 3.785 0.055 7 0 "[ . 1 . 2]" 1
742 1 55 GLN HA 1 58 ALA MB 2.880 . 3.960 2.728 2.514 3.075 . 0 0 "[ . 1 . 2]" 1
743 1 55 GLN QB 1 55 GLN HE22 4.340 . 6.880 4.112 3.367 4.473 . 0 0 "[ . 1 . 2]" 1
744 1 55 GLN QB 1 56 ALA H 3.100 . 4.400 2.639 2.378 2.783 . 0 0 "[ . 1 . 2]" 1
745 1 55 GLN QE 1 58 ALA MB 3.440 . 5.090 3.199 2.236 3.923 . 0 0 "[ . 1 . 2]" 1
746 1 55 GLN HE21 1 58 ALA MB 3.510 . 5.220 3.561 2.455 4.664 . 0 0 "[ . 1 . 2]" 1
747 1 55 GLN HE22 1 58 ALA MB 3.510 . 5.220 3.745 2.573 5.251 0.031 15 0 "[ . 1 . 2]" 1
748 1 56 ALA H 1 56 ALA MB 2.610 . 3.420 2.242 2.230 2.252 . 0 0 "[ . 1 . 2]" 1
749 1 56 ALA H 1 57 LEU H 2.510 . 3.230 2.634 2.569 2.703 . 0 0 "[ . 1 . 2]" 1
750 1 56 ALA H 1 58 ALA H 3.290 . 4.780 4.226 4.041 4.337 . 0 0 "[ . 1 . 2]" 1
751 1 56 ALA HA 1 59 ASP H 2.760 . 3.730 3.473 3.313 3.644 . 0 0 "[ . 1 . 2]" 1
752 1 56 ALA HA 1 59 ASP HB2 2.730 . 3.660 3.381 2.936 3.701 0.041 12 0 "[ . 1 . 2]" 1
753 1 56 ALA HA 1 59 ASP HB3 2.730 . 3.660 2.589 2.222 3.003 . 0 0 "[ . 1 . 2]" 1
754 1 56 ALA MB 1 57 LEU H 2.710 . 3.630 2.529 2.436 2.627 . 0 0 "[ . 1 . 2]" 1
755 1 57 LEU H 1 57 LEU HB2 2.390 . 2.980 2.435 2.350 2.486 . 0 0 "[ . 1 . 2]" 1
756 1 57 LEU H 1 57 LEU HB3 2.660 . 3.520 3.569 3.555 3.578 0.058 7 0 "[ . 1 . 2]" 1
757 1 57 LEU H 1 57 LEU MD1 3.270 . 4.750 3.548 3.447 3.624 . 0 0 "[ . 1 . 2]" 1
758 1 57 LEU H 1 57 LEU MD2 3.540 . 5.290 3.431 3.301 3.700 . 0 0 "[ . 1 . 2]" 1
759 1 57 LEU H 1 57 LEU HG 2.600 . 3.410 2.319 2.207 2.506 . 0 0 "[ . 1 . 2]" 1
760 1 57 LEU H 1 58 ALA H 2.480 . 3.160 2.738 2.665 2.799 . 0 0 "[ . 1 . 2]" 1
761 1 57 LEU H 1 58 ALA MB 3.650 . 5.510 4.392 4.304 4.465 . 0 0 "[ . 1 . 2]" 1
762 1 57 LEU HA 1 57 LEU MD1 3.760 . 5.720 3.871 3.847 3.890 . 0 0 "[ . 1 . 2]" 1
763 1 57 LEU HA 1 57 LEU MD2 2.800 . 3.810 2.036 1.976 2.094 . 0 0 "[ . 1 . 2]" 1
764 1 57 LEU HA 1 57 LEU HG 2.940 . 4.090 3.013 2.874 3.094 . 0 0 "[ . 1 . 2]" 1
765 1 57 LEU HA 1 60 TYR H 2.870 . 3.950 3.582 3.413 3.686 . 0 0 "[ . 1 . 2]" 1
766 1 57 LEU HA 1 60 TYR HB2 2.840 . 3.880 3.574 3.055 3.896 0.016 15 0 "[ . 1 . 2]" 1
767 1 57 LEU HA 1 60 TYR QB 2.710 . 3.630 2.957 2.622 3.241 . 0 0 "[ . 1 . 2]" 1
768 1 57 LEU HA 1 60 TYR HB3 2.840 . 3.880 3.165 2.855 3.602 . 0 0 "[ . 1 . 2]" 1
769 1 57 LEU HB2 1 58 ALA H 2.550 . 3.300 2.390 2.340 2.490 . 0 0 "[ . 1 . 2]" 1
770 1 57 LEU HB2 1 68 LEU MD1 3.420 . 5.040 2.961 2.298 3.423 . 0 0 "[ . 1 . 2]" 1
771 1 57 LEU HB3 1 58 ALA H 2.820 . 3.840 3.384 3.291 3.499 . 0 0 "[ . 1 . 2]" 1
772 1 57 LEU HB3 1 68 LEU MD1 2.970 . 4.140 2.819 2.270 3.412 . 0 0 "[ . 1 . 2]" 1
773 1 57 LEU MD1 1 58 ALA H 4.100 . 6.410 4.297 4.199 4.393 . 0 0 "[ . 1 . 2]" 1
774 1 57 LEU MD2 1 61 PHE QD 4.970 . 8.140 4.105 3.622 4.595 . 0 0 "[ . 1 . 2]" 1
775 1 57 LEU MD2 1 61 PHE QE 3.890 . 5.980 3.064 2.258 3.534 . 0 0 "[ . 1 . 2]" 1
776 1 58 ALA H 1 58 ALA MB 2.610 . 3.420 2.234 2.220 2.252 . 0 0 "[ . 1 . 2]" 1
777 1 58 ALA H 1 59 ASP H 2.510 . 3.230 2.634 2.506 2.767 . 0 0 "[ . 1 . 2]" 1
778 1 58 ALA H 1 68 LEU MD1 3.560 . 5.330 3.502 2.803 4.190 . 0 0 "[ . 1 . 2]" 1
779 1 58 ALA HA 1 63 ILE H 3.030 . 4.270 3.432 3.075 3.755 . 0 0 "[ . 1 . 2]" 1
780 1 58 ALA HA 1 63 ILE MD 3.170 . 4.540 2.870 2.409 3.692 . 0 0 "[ . 1 . 2]" 1
781 1 58 ALA HA 1 63 ILE HG12 3.020 . 4.240 2.624 2.331 3.879 . 0 0 "[ . 1 . 2]" 1
782 1 58 ALA HA 1 63 ILE QG 2.900 . 4.000 2.231 1.967 2.854 . 0 0 "[ . 1 . 2]" 1
783 1 58 ALA HA 1 63 ILE HG13 3.020 . 4.240 2.431 2.063 2.938 . 0 0 "[ . 1 . 2]" 1
784 1 58 ALA HA 1 68 LEU MD1 3.330 . 4.860 3.231 2.525 4.016 . 0 0 "[ . 1 . 2]" 1
785 1 58 ALA MB 1 59 ASP H 2.730 . 3.670 2.687 2.457 2.924 . 0 0 "[ . 1 . 2]" 1
786 1 58 ALA MB 1 63 ILE H 3.780 . 5.760 3.465 3.195 3.900 . 0 0 "[ . 1 . 2]" 1
787 1 58 ALA MB 1 63 ILE MD 4.830 . 7.860 3.579 3.205 4.293 . 0 0 "[ . 1 . 2]" 1
788 1 58 ALA MB 1 63 ILE HG12 3.960 . 6.120 3.591 3.336 4.677 . 0 0 "[ . 1 . 2]" 1
789 1 58 ALA MB 1 63 ILE QG 3.800 . 5.800 2.544 2.173 3.373 . 0 0 "[ . 1 . 2]" 1
790 1 58 ALA MB 1 63 ILE HG13 3.960 . 6.120 2.605 2.202 3.459 . 0 0 "[ . 1 . 2]" 1
791 1 58 ALA MB 1 64 ASN HA 3.220 . 4.640 3.274 2.731 3.688 . 0 0 "[ . 1 . 2]" 1
792 1 58 ALA MB 1 65 LYS H 3.830 . 5.870 3.543 3.101 4.304 . 0 0 "[ . 1 . 2]" 1
793 1 58 ALA MB 1 65 LYS HA 2.890 . 3.990 2.734 2.170 3.588 . 0 0 "[ . 1 . 2]" 1
794 1 58 ALA MB 1 68 LEU MD1 4.250 . 6.710 2.925 2.223 3.587 . 0 0 "[ . 1 . 2]" 1
795 1 59 ASP H 1 59 ASP HB2 2.550 . 3.300 2.562 2.394 2.667 . 0 0 "[ . 1 . 2]" 1
796 1 59 ASP H 1 59 ASP QB 2.420 . 3.050 2.251 2.211 2.292 . 0 0 "[ . 1 . 2]" 1
797 1 59 ASP H 1 59 ASP HB3 2.550 . 3.300 2.506 2.386 2.655 . 0 0 "[ . 1 . 2]" 1
798 1 59 ASP H 1 60 TYR H 2.550 . 3.300 2.554 2.381 2.714 . 0 0 "[ . 1 . 2]" 1
799 1 59 ASP H 1 61 PHE H 2.940 . 4.090 4.097 3.969 4.173 0.083 4 0 "[ . 1 . 2]" 1
800 1 59 ASP HA 1 61 PHE H 3.070 . 4.340 4.351 4.249 4.421 0.081 20 0 "[ . 1 . 2]" 1
801 1 59 ASP QB 1 60 TYR H 2.650 . 3.500 2.562 2.464 2.703 . 0 0 "[ . 1 . 2]" 1
802 1 59 ASP HB2 1 60 TYR H 2.820 . 3.840 3.858 3.772 3.913 0.073 3 0 "[ . 1 . 2]" 1
803 1 59 ASP HB3 1 60 TYR H 2.820 . 3.840 2.601 2.494 2.760 . 0 0 "[ . 1 . 2]" 1
804 1 60 TYR H 1 60 TYR HB2 2.490 . 3.190 2.429 2.300 2.564 . 0 0 "[ . 1 . 2]" 1
805 1 60 TYR H 1 60 TYR HB3 2.490 . 3.190 2.624 2.501 2.773 . 0 0 "[ . 1 . 2]" 1
806 1 60 TYR H 1 61 PHE H 2.620 . 3.440 2.660 2.503 2.770 . 0 0 "[ . 1 . 2]" 1
807 1 60 TYR QB 1 61 PHE H 2.620 . 3.450 2.620 2.488 2.777 . 0 0 "[ . 1 . 2]" 1
808 1 60 TYR HB2 1 61 PHE H 2.800 . 3.800 3.842 3.803 3.912 0.112 14 0 "[ . 1 . 2]" 1
809 1 60 TYR HB3 1 61 PHE H 2.800 . 3.800 2.667 2.521 2.853 . 0 0 "[ . 1 . 2]" 1
810 1 60 TYR QD 1 61 PHE H 4.150 . 6.510 3.887 3.372 4.527 . 0 0 "[ . 1 . 2]" 1
811 1 60 TYR QD 1 61 PHE HA 4.190 . 6.580 3.942 3.360 4.988 . 0 0 "[ . 1 . 2]" 1
812 1 60 TYR QD 1 61 PHE QD 6.030 . 10.260 3.612 3.109 4.768 . 0 0 "[ . 1 . 2]" 1
813 1 60 TYR QD 1 61 PHE QE 5.510 . 9.220 3.505 3.072 4.414 . 0 0 "[ . 1 . 2]" 1
814 1 60 TYR QE 1 61 PHE QE 5.240 . 8.680 4.310 3.488 5.781 . 0 0 "[ . 1 . 2]" 1
815 1 61 PHE H 1 61 PHE HB2 2.510 . 3.230 2.384 2.333 2.459 . 0 0 "[ . 1 . 2]" 1
816 1 61 PHE H 1 61 PHE HB3 2.670 . 3.550 3.611 3.589 3.647 0.097 2 0 "[ . 1 . 2]" 1
817 1 61 PHE H 1 62 ASN H 2.510 . 3.230 2.333 2.155 2.442 . 0 0 "[ . 1 . 2]" 1
818 1 61 PHE H 1 62 ASN HA 3.140 . 4.490 4.494 4.257 4.600 0.110 14 0 "[ . 1 . 2]" 1
819 1 61 PHE HA 1 63 ILE MD 3.990 . 6.190 4.972 4.842 5.177 . 0 0 "[ . 1 . 2]" 1
820 1 61 PHE HB2 1 62 ASN H 3.140 . 4.490 3.470 3.242 3.693 . 0 0 "[ . 1 . 2]" 1
821 1 61 PHE HB2 1 63 ILE MD 3.090 . 4.390 2.686 2.581 2.756 . 0 0 "[ . 1 . 2]" 1
822 1 61 PHE HB2 1 63 ILE HG12 3.470 . 5.140 2.151 1.850 2.423 . 0 0 "[ . 1 . 2]" 1
823 1 61 PHE HB2 1 63 ILE QG 3.260 . 4.730 2.136 1.844 2.406 . 0 0 "[ . 1 . 2]" 1
824 1 61 PHE HB2 1 63 ILE HG13 3.470 . 5.140 3.682 3.193 4.075 . 0 0 "[ . 1 . 2]" 1
825 1 61 PHE HB2 1 63 ILE MG 3.240 . 4.680 3.228 2.872 4.122 . 0 0 "[ . 1 . 2]" 1
826 1 61 PHE HB3 1 63 ILE MD 3.220 . 4.640 2.941 2.683 3.288 . 0 0 "[ . 1 . 2]" 1
827 1 61 PHE HB3 1 63 ILE QG 3.490 . 5.190 2.977 2.277 3.495 . 0 0 "[ . 1 . 2]" 1
828 1 61 PHE HB3 1 63 ILE MG 3.220 . 4.640 2.692 2.178 3.306 . 0 0 "[ . 1 . 2]" 1
829 1 61 PHE QD 1 63 ILE MD 4.230 . 6.660 3.353 2.886 3.683 . 0 0 "[ . 1 . 2]" 1
830 1 61 PHE QD 1 63 ILE MG 4.820 . 7.850 4.265 3.830 4.715 . 0 0 "[ . 1 . 2]" 1
831 1 61 PHE QD 1 68 LEU MD2 5.130 . 8.460 4.319 3.500 4.930 . 0 0 "[ . 1 . 2]" 1
832 1 62 ASN H 1 62 ASN HA 2.210 . 2.620 2.257 2.247 2.267 . 0 0 "[ . 1 . 2]" 1
833 1 62 ASN H 1 62 ASN HB2 2.890 . 3.980 3.203 3.029 3.616 . 0 0 "[ . 1 . 2]" 1
834 1 62 ASN H 1 62 ASN QB 2.720 . 3.650 3.039 2.874 3.380 . 0 0 "[ . 1 . 2]" 1
835 1 62 ASN H 1 62 ASN HB3 2.890 . 3.980 3.779 3.552 4.061 0.081 8 0 "[ . 1 . 2]" 1
836 1 62 ASN H 1 63 ILE H 2.490 . 3.190 2.804 2.547 3.116 . 0 0 "[ . 1 . 2]" 1
837 1 62 ASN HA 1 63 ILE H 2.460 . 3.120 2.660 2.337 3.065 . 0 0 "[ . 1 . 2]" 1
838 1 62 ASN HB2 1 63 ILE H 3.900 . 6.000 4.495 3.994 4.642 . 0 0 "[ . 1 . 2]" 1
839 1 62 ASN HB3 1 63 ILE H 3.900 . 6.000 4.323 3.872 4.459 . 0 0 "[ . 1 . 2]" 1
840 1 63 ILE H 1 63 ILE MD 3.670 . 5.540 3.858 3.640 4.021 . 0 0 "[ . 1 . 2]" 1
841 1 63 ILE H 1 63 ILE HG12 2.890 . 3.980 2.223 1.989 2.437 . 0 0 "[ . 1 . 2]" 1
842 1 63 ILE H 1 63 ILE QG 2.710 . 3.630 2.149 1.945 2.333 . 0 0 "[ . 1 . 2]" 1
843 1 63 ILE H 1 63 ILE HG13 2.890 . 3.980 2.877 2.300 2.978 . 0 0 "[ . 1 . 2]" 1
844 1 63 ILE H 1 63 ILE MG 3.290 . 4.790 3.011 2.533 3.225 . 0 0 "[ . 1 . 2]" 1
845 1 63 ILE HB 1 64 ASN H 2.280 . 2.760 1.953 1.815 2.186 . 0 0 "[ . 1 . 2]" 1
846 1 63 ILE HB 1 67 ASP HB2 3.020 . 4.240 2.803 2.194 3.441 . 0 0 "[ . 1 . 2]" 1
847 1 63 ILE HB 1 67 ASP QB 2.940 . 4.090 2.679 2.121 3.304 . 0 0 "[ . 1 . 2]" 1
848 1 63 ILE HB 1 67 ASP HB3 3.020 . 4.240 3.513 2.390 4.288 0.048 3 0 "[ . 1 . 2]" 1
849 1 63 ILE MD 1 64 ASN H 3.690 . 5.580 3.706 2.915 3.976 . 0 0 "[ . 1 . 2]" 1
850 1 63 ILE MD 1 67 ASP HB2 3.110 . 4.430 2.423 1.982 3.805 . 0 0 "[ . 1 . 2]" 1
851 1 63 ILE MD 1 67 ASP QB 3.030 . 4.270 2.235 1.851 2.612 . 0 0 "[ . 1 . 2]" 1
852 1 63 ILE MD 1 67 ASP HB3 3.110 . 4.430 2.797 2.218 3.366 . 0 0 "[ . 1 . 2]" 1
853 1 63 ILE MD 1 68 LEU HA 3.690 . 5.580 4.382 3.651 5.108 . 0 0 "[ . 1 . 2]" 1
854 1 63 ILE MD 1 68 LEU HB2 4.280 . 6.770 4.571 4.159 5.047 . 0 0 "[ . 1 . 2]" 1
855 1 63 ILE MD 1 68 LEU MD1 3.870 . 5.950 2.738 2.405 3.207 . 0 0 "[ . 1 . 2]" 1
856 1 63 ILE MD 1 68 LEU MD2 3.980 . 6.170 2.361 1.950 2.994 . 0 0 "[ . 1 . 2]" 1
857 1 63 ILE MD 1 68 LEU HG 2.860 . 3.920 2.513 2.091 2.985 . 0 0 "[ . 1 . 2]" 1
858 1 63 ILE QG 1 64 ASN H 3.600 . 5.400 3.101 1.719 3.401 0.081 10 0 "[ . 1 . 2]" 1
859 1 63 ILE MG 1 64 ASN H 3.270 . 4.750 3.478 3.410 3.678 . 0 0 "[ . 1 . 2]" 1
860 1 63 ILE MG 1 67 ASP QB 4.850 . 7.900 3.503 3.007 4.170 . 0 0 "[ . 1 . 2]" 1
861 1 64 ASN H 1 64 ASN HB2 2.570 . 3.340 2.576 2.376 3.331 . 0 0 "[ . 1 . 2]" 1
862 1 64 ASN H 1 64 ASN HB3 2.730 . 3.660 3.558 2.708 3.703 0.043 11 0 "[ . 1 . 2]" 1
863 1 64 ASN H 1 67 ASP H 3.050 . 4.310 3.816 3.470 4.123 . 0 0 "[ . 1 . 2]" 1
864 1 64 ASN HA 1 65 LYS H 2.670 . 3.550 2.371 2.256 2.579 . 0 0 "[ . 1 . 2]" 1
865 1 64 ASN HB2 1 66 SER H 2.980 . 4.160 3.311 2.792 4.234 0.074 4 0 "[ . 1 . 2]" 1
866 1 64 ASN HB2 1 67 ASP H 2.940 . 4.090 3.065 2.509 4.178 0.088 4 0 "[ . 1 . 2]" 1
867 1 64 ASN HB3 1 65 LYS H 3.120 . 4.450 2.716 2.169 3.614 . 0 0 "[ . 1 . 2]" 1
868 1 64 ASN HB3 1 66 SER H 2.800 . 3.800 2.682 2.274 2.901 . 0 0 "[ . 1 . 2]" 1
869 1 64 ASN HB3 1 67 ASP H 2.980 . 4.160 3.584 2.478 4.171 0.011 11 0 "[ . 1 . 2]" 1
870 1 65 LYS H 1 65 LYS QG 4.340 . 6.880 2.301 1.866 3.999 . 0 0 "[ . 1 . 2]" 1
871 1 65 LYS H 1 66 SER H 3.270 . 4.740 2.580 2.455 2.694 . 0 0 "[ . 1 . 2]" 1
872 1 65 LYS HA 1 65 LYS QD 3.710 . 5.620 4.177 3.294 4.538 . 0 0 "[ . 1 . 2]" 1
873 1 65 LYS HA 1 68 LEU H 3.160 . 4.520 3.734 3.243 4.226 . 0 0 "[ . 1 . 2]" 1
874 1 65 LYS QB 1 65 LYS QE 3.820 . 5.840 3.133 1.845 3.650 . 0 0 "[ . 1 . 2]" 1
875 1 65 LYS HB2 1 65 LYS QE 4.190 . 6.590 3.580 1.855 4.021 . 0 0 "[ . 1 . 2]" 1
876 1 65 LYS HB2 1 66 SER H 2.930 . 4.060 3.846 2.714 4.012 . 0 0 "[ . 1 . 2]" 1
877 1 65 LYS HB3 1 65 LYS QE 4.190 . 6.590 3.654 1.875 4.259 . 0 0 "[ . 1 . 2]" 1
878 1 65 LYS HB3 1 66 SER H 2.930 . 4.060 3.957 2.829 4.111 0.051 6 0 "[ . 1 . 2]" 1
879 1 65 LYS QG 1 66 SER H 4.340 . 6.880 2.523 1.987 4.407 . 0 0 "[ . 1 . 2]" 1
880 1 66 SER H 1 67 ASP H 2.690 . 3.590 2.625 2.502 2.715 . 0 0 "[ . 1 . 2]" 1
881 1 66 SER HA 1 69 ILE H 2.820 . 3.840 3.130 2.820 3.445 . 0 0 "[ . 1 . 2]" 1
882 1 66 SER HA 1 69 ILE HB 2.730 . 3.660 2.548 2.234 3.076 . 0 0 "[ . 1 . 2]" 1
883 1 66 SER HA 1 69 ILE MD 3.800 . 5.800 4.156 2.413 5.342 . 0 0 "[ . 1 . 2]" 1
884 1 66 SER HA 1 69 ILE HG12 3.180 . 4.560 3.959 2.842 4.648 0.088 18 0 "[ . 1 . 2]" 1
885 1 66 SER HA 1 69 ILE HG13 3.180 . 4.560 3.663 3.012 4.586 0.026 6 0 "[ . 1 . 2]" 1
886 1 66 SER HA 1 70 GLU H 2.980 . 4.160 3.467 2.555 4.238 0.078 8 0 "[ . 1 . 2]" 1
887 1 67 ASP H 1 67 ASP HB2 2.730 . 3.660 2.409 2.277 2.595 . 0 0 "[ . 1 . 2]" 1
888 1 67 ASP H 1 67 ASP QB 2.570 . 3.340 2.363 2.252 2.539 . 0 0 "[ . 1 . 2]" 1
889 1 67 ASP H 1 67 ASP HB3 2.730 . 3.660 3.538 2.576 3.618 . 0 0 "[ . 1 . 2]" 1
890 1 67 ASP QB 1 68 LEU HG 3.290 . 4.790 3.192 2.969 3.355 . 0 0 "[ . 1 . 2]" 1
891 1 68 LEU H 1 68 LEU HB2 2.480 . 3.160 2.450 2.370 2.523 . 0 0 "[ . 1 . 2]" 1
892 1 68 LEU H 1 68 LEU HB3 2.710 . 3.620 3.631 3.602 3.641 0.021 6 0 "[ . 1 . 2]" 1
893 1 68 LEU H 1 68 LEU MD1 3.290 . 4.790 3.783 3.733 3.825 . 0 0 "[ . 1 . 2]" 1
894 1 68 LEU H 1 68 LEU MD2 4.100 . 6.410 3.565 3.342 3.769 . 0 0 "[ . 1 . 2]" 1
895 1 68 LEU H 1 68 LEU HG 2.930 . 4.060 2.628 2.416 2.807 . 0 0 "[ . 1 . 2]" 1
896 1 68 LEU HA 1 68 LEU MD1 3.670 . 5.540 3.857 3.841 3.876 . 0 0 "[ . 1 . 2]" 1
897 1 68 LEU HA 1 68 LEU MD2 2.750 . 3.710 2.007 1.934 2.070 . 0 0 "[ . 1 . 2]" 1
898 1 68 LEU HB2 1 69 ILE H 2.660 . 3.520 3.012 2.569 3.200 . 0 0 "[ . 1 . 2]" 1
899 1 68 LEU HB3 1 69 ILE H 2.940 . 4.090 3.929 3.612 4.094 0.004 3 0 "[ . 1 . 2]" 1
900 1 69 ILE H 1 69 ILE HB 2.550 . 3.300 2.538 2.473 2.694 . 0 0 "[ . 1 . 2]" 1
901 1 69 ILE H 1 69 ILE MD 3.530 . 5.260 3.540 3.234 3.814 . 0 0 "[ . 1 . 2]" 1
902 1 69 ILE H 1 69 ILE HG12 2.780 . 3.770 2.788 2.198 3.678 . 0 0 "[ . 1 . 2]" 1
903 1 69 ILE H 1 69 ILE QG 2.660 . 3.520 2.346 2.180 2.456 . 0 0 "[ . 1 . 2]" 1
904 1 69 ILE H 1 69 ILE HG13 2.780 . 3.770 3.285 2.335 3.849 0.079 19 0 "[ . 1 . 2]" 1
905 1 69 ILE H 1 69 ILE MG 3.060 . 4.320 3.799 3.769 3.864 . 0 0 "[ . 1 . 2]" 1
906 1 69 ILE H 1 70 GLU H 2.460 . 3.120 2.401 2.244 2.679 . 0 0 "[ . 1 . 2]" 1
907 1 69 ILE HA 1 69 ILE MD 3.150 . 4.500 2.664 1.963 3.869 . 0 0 "[ . 1 . 2]" 1
908 1 69 ILE HB 1 70 GLU H 2.840 . 3.880 2.727 2.441 3.781 . 0 0 "[ . 1 . 2]" 1
909 1 69 ILE QG 1 70 GLU H 3.630 . 5.470 4.021 3.845 4.234 . 0 0 "[ . 1 . 2]" 1
910 1 69 ILE HG12 1 70 GLU H 3.900 . 6.000 4.509 4.065 5.139 . 0 0 "[ . 1 . 2]" 1
911 1 69 ILE HG13 1 70 GLU H 3.900 . 6.000 4.716 4.028 5.368 . 0 0 "[ . 1 . 2]" 1
912 1 69 ILE MG 1 70 GLU H 3.420 . 5.040 3.525 3.253 4.236 . 0 0 "[ . 1 . 2]" 1
913 1 70 GLU H 1 70 GLU HB2 2.580 . 3.370 2.728 2.178 3.594 0.224 9 0 "[ . 1 . 2]" 1
914 1 70 GLU H 1 70 GLU HB3 2.580 . 3.370 3.318 2.505 3.592 0.222 7 0 "[ . 1 . 2]" 1
915 1 70 GLU H 1 70 GLU HG2 2.980 . 4.160 2.933 1.780 4.183 0.023 18 0 "[ . 1 . 2]" 1
916 1 70 GLU H 1 70 GLU HG3 2.980 . 4.160 3.151 1.797 4.163 0.003 18 0 "[ . 1 . 2]" 1
917 1 70 GLU HA 1 70 GLU QG 2.820 . 3.850 2.881 2.282 3.446 . 0 0 "[ . 1 . 2]" 1
918 1 70 GLU HA 1 71 ASP H 2.260 . 2.720 2.301 2.178 2.514 . 0 0 "[ . 1 . 2]" 1
919 1 70 GLU QB 1 71 ASP H 2.670 . 3.540 2.553 2.139 2.805 . 0 0 "[ . 1 . 2]" 1
920 1 70 GLU HB2 1 71 ASP H 2.780 . 3.770 3.444 2.155 3.909 0.139 18 0 "[ . 1 . 2]" 1
921 1 70 GLU HB3 1 71 ASP H 2.780 . 3.770 2.925 2.163 3.840 0.070 13 0 "[ . 1 . 2]" 1
922 1 71 ASP H 1 71 ASP HB2 2.460 . 3.120 2.682 2.255 3.141 0.021 8 0 "[ . 1 . 2]" 1
923 1 71 ASP H 1 71 ASP HB3 2.440 . 3.080 2.580 2.413 2.881 . 0 0 "[ . 1 . 2]" 1
924 1 71 ASP HA 1 72 LYS H 2.350 . 2.900 2.339 2.124 2.611 . 0 0 "[ . 1 . 2]" 1
925 1 71 ASP HA 1 73 LYS H 3.000 . 4.200 3.885 3.033 4.182 . 0 0 "[ . 1 . 2]" 1
926 1 71 ASP HB2 1 72 LYS H 3.200 . 4.600 3.996 3.647 4.354 . 0 0 "[ . 1 . 2]" 1
927 1 71 ASP HB3 1 72 LYS H 3.300 . 4.810 3.719 3.196 4.399 . 0 0 "[ . 1 . 2]" 1
928 1 72 LYS H 1 72 LYS HB2 2.840 . 3.880 2.935 2.155 3.674 . 0 0 "[ . 1 . 2]" 1
929 1 72 LYS H 1 72 LYS QB 2.630 . 3.460 2.547 2.130 3.061 . 0 0 "[ . 1 . 2]" 1
930 1 72 LYS H 1 72 LYS HB3 2.840 . 3.880 3.116 2.555 3.758 . 0 0 "[ . 1 . 2]" 1
931 1 72 LYS H 1 72 LYS QG 4.090 . 6.380 2.950 1.746 4.166 0.054 12 0 "[ . 1 . 2]" 1
932 1 72 LYS H 1 73 LYS H 2.490 . 3.190 2.667 2.286 3.199 0.009 1 0 "[ . 1 . 2]" 1
933 1 72 LYS HA 1 72 LYS QD 3.910 . 6.020 3.711 1.785 4.478 0.015 8 0 "[ . 1 . 2]" 1
934 1 72 LYS HA 1 73 LYS H 2.530 . 3.260 3.123 2.780 3.332 0.072 17 0 "[ . 1 . 2]" 1
935 1 73 LYS H 1 73 LYS HB2 2.640 . 3.480 2.486 2.189 3.581 0.101 16 0 "[ . 1 . 2]" 1
936 1 73 LYS H 1 73 LYS QB 2.540 . 3.280 2.302 2.166 2.581 . 0 0 "[ . 1 . 2]" 1
937 1 73 LYS H 1 73 LYS HB3 2.640 . 3.480 3.105 2.307 3.611 0.131 2 0 "[ . 1 . 2]" 1
938 1 73 LYS H 1 73 LYS HG2 3.110 . 4.420 3.656 1.962 4.516 0.096 18 0 "[ . 1 . 2]" 1
939 1 73 LYS H 1 73 LYS QG 3.030 . 4.260 3.234 1.949 4.029 . 0 0 "[ . 1 . 2]" 1
940 1 73 LYS H 1 73 LYS HG3 3.110 . 4.420 3.938 2.601 4.613 0.193 8 0 "[ . 1 . 2]" 1
941 1 73 LYS H 1 74 LEU H 2.640 . 3.480 2.695 2.313 3.332 . 0 0 "[ . 1 . 2]" 1
942 1 73 LYS HA 1 73 LYS HG2 2.960 . 4.130 2.833 2.310 3.680 . 0 0 "[ . 1 . 2]" 1
943 1 73 LYS HA 1 73 LYS QG 2.800 . 3.800 2.561 2.271 3.337 . 0 0 "[ . 1 . 2]" 1
944 1 73 LYS HA 1 73 LYS HG3 2.960 . 4.130 3.225 2.412 3.834 . 0 0 "[ . 1 . 2]" 1
945 1 73 LYS HA 1 74 LEU H 2.400 . 3.010 3.018 2.665 3.173 0.163 17 0 "[ . 1 . 2]" 1
946 1 73 LYS QB 1 74 LEU H 2.960 . 4.120 3.626 3.363 3.930 . 0 0 "[ . 1 . 2]" 1
947 1 73 LYS HB2 1 74 LEU H 3.070 . 4.340 4.138 3.751 4.506 0.166 18 0 "[ . 1 . 2]" 1
948 1 73 LYS HB3 1 74 LEU H 3.070 . 4.340 4.097 3.511 4.426 0.086 10 0 "[ . 1 . 2]" 1
949 1 74 LEU H 1 74 LEU HB2 2.550 . 3.300 2.389 2.320 2.477 . 0 0 "[ . 1 . 2]" 1
950 1 74 LEU H 1 74 LEU HB3 2.600 . 3.410 3.562 3.535 3.596 0.186 13 0 "[ . 1 . 2]" 1
951 1 74 LEU H 1 74 LEU MD1 4.100 . 6.410 3.722 3.627 3.871 . 0 0 "[ . 1 . 2]" 1
952 1 74 LEU H 1 74 LEU MD2 4.050 . 6.300 3.464 3.318 3.643 . 0 0 "[ . 1 . 2]" 1
953 1 74 LEU H 1 74 LEU HG 2.690 . 3.590 2.519 2.331 2.788 . 0 0 "[ . 1 . 2]" 1
954 1 74 LEU H 1 75 ASN H 2.780 . 3.770 3.651 2.434 3.966 0.196 12 0 "[ . 1 . 2]" 1
955 1 74 LEU HA 1 74 LEU MD2 2.730 . 3.670 1.975 1.892 2.077 . 0 0 "[ . 1 . 2]" 1
956 1 74 LEU HA 1 74 LEU HG 3.020 . 4.240 3.091 3.009 3.209 . 0 0 "[ . 1 . 2]" 1
957 1 74 LEU HA 1 75 ASN H 2.400 . 3.010 2.442 2.203 3.144 0.134 9 0 "[ . 1 . 2]" 1
958 1 74 LEU HB2 1 74 LEU HG 2.280 . 2.760 2.455 2.426 2.483 . 0 0 "[ . 1 . 2]" 1
959 1 74 LEU HB3 1 75 ASN H 3.000 . 4.200 4.157 4.004 4.280 0.080 13 0 "[ . 1 . 2]" 1
960 1 74 LEU MD1 1 75 ASN H 4.410 . 7.020 5.538 5.325 5.627 . 0 0 "[ . 1 . 2]" 1
961 1 74 LEU MD2 1 75 ASN H 4.410 . 7.020 4.060 3.803 4.587 . 0 0 "[ . 1 . 2]" 1
962 1 75 ASN H 1 75 ASN HB2 2.940 . 4.090 2.807 2.360 3.588 . 0 0 "[ . 1 . 2]" 1
963 1 75 ASN H 1 75 ASN QB 2.800 . 3.800 2.546 2.255 3.070 . 0 0 "[ . 1 . 2]" 1
964 1 75 ASN H 1 75 ASN HB3 2.940 . 4.090 3.171 2.457 3.794 . 0 0 "[ . 1 . 2]" 1
965 1 75 ASN H 1 76 ILE H 3.030 . 4.270 4.109 2.876 4.515 0.245 9 0 "[ . 1 . 2]" 1
966 1 75 ASN HA 1 76 ILE H 2.350 . 2.900 2.302 2.072 2.854 . 0 0 "[ . 1 . 2]" 1
967 1 75 ASN HB2 1 76 ILE H 3.320 . 4.850 4.070 2.046 4.504 . 0 0 "[ . 1 . 2]" 1
968 1 75 ASN HB3 1 76 ILE H 3.320 . 4.850 3.697 1.826 4.482 . 0 0 "[ . 1 . 2]" 1
969 1 76 ILE H 1 76 ILE HB 2.550 . 3.300 2.601 2.511 2.714 . 0 0 "[ . 1 . 2]" 1
970 1 76 ILE H 1 76 ILE HG12 3.180 . 4.560 2.773 1.910 4.421 . 0 0 "[ . 1 . 2]" 1
971 1 76 ILE H 1 76 ILE QG 2.990 . 4.190 2.307 1.902 3.697 . 0 0 "[ . 1 . 2]" 1
972 1 76 ILE H 1 76 ILE HG13 3.180 . 4.560 3.191 1.991 3.964 . 0 0 "[ . 1 . 2]" 1
973 1 76 ILE H 1 76 ILE MG 3.270 . 4.750 3.781 3.765 3.825 . 0 0 "[ . 1 . 2]" 1
974 1 76 ILE H 1 77 ASP H 3.480 . 5.170 4.506 4.378 4.633 . 0 0 "[ . 1 . 2]" 1
975 1 76 ILE HA 1 77 ASP H 2.330 . 2.870 2.161 2.049 2.462 . 0 0 "[ . 1 . 2]" 1
976 1 76 ILE HB 1 77 ASP H 2.910 . 4.020 4.027 3.391 4.188 0.168 20 0 "[ . 1 . 2]" 1
977 1 76 ILE MG 1 77 ASP H 3.360 . 4.930 2.517 1.771 2.869 0.019 11 0 "[ . 1 . 2]" 1
978 1 77 ASP H 1 77 ASP HB2 2.840 . 3.880 3.167 2.201 3.667 . 0 0 "[ . 1 . 2]" 1
979 1 77 ASP H 1 77 ASP QB 2.670 . 3.540 2.620 2.179 2.903 . 0 0 "[ . 1 . 2]" 1
980 1 77 ASP H 1 77 ASP HB3 2.840 . 3.880 2.990 2.529 3.667 . 0 0 "[ . 1 . 2]" 1
981 1 77 ASP H 1 78 THR H 2.760 . 3.730 3.667 1.786 4.075 0.345 15 0 "[ . 1 . 2]" 1
982 1 77 ASP HA 1 78 THR H 2.400 . 3.010 2.305 2.062 3.122 0.112 11 0 "[ . 1 . 2]" 1
983 1 77 ASP HB2 1 78 THR H 3.630 . 5.460 4.353 3.819 4.578 . 0 0 "[ . 1 . 2]" 1
984 1 77 ASP HB3 1 78 THR H 3.630 . 5.460 4.269 3.785 4.533 . 0 0 "[ . 1 . 2]" 1
985 1 78 THR H 1 78 THR HB 2.820 . 3.840 3.123 2.434 3.789 . 0 0 "[ . 1 . 2]" 1
986 1 78 THR HA 1 79 VAL H 2.350 . 2.900 2.390 2.083 2.988 0.088 9 0 "[ . 1 . 2]" 1
987 1 78 THR HB 1 79 VAL H 2.940 . 4.090 3.460 1.780 4.243 0.153 18 0 "[ . 1 . 2]" 1
988 1 78 THR MG 1 79 VAL H 3.970 . 6.150 3.434 1.765 4.294 0.025 11 0 "[ . 1 . 2]" 1
989 1 79 VAL H 1 79 VAL HB 2.510 . 3.230 2.853 2.626 3.211 . 0 0 "[ . 1 . 2]" 1
990 1 79 VAL H 1 79 VAL MG2 3.220 . 4.640 3.047 2.415 3.848 . 0 0 "[ . 1 . 2]" 1
991 1 79 VAL HA 1 80 PRO HD2 2.390 . 2.980 2.265 1.840 2.630 . 0 0 "[ . 1 . 2]" 1
992 1 79 VAL HA 1 80 PRO HD3 2.260 . 2.720 2.388 1.974 2.752 0.032 16 0 "[ . 1 . 2]" 1
993 1 79 VAL MG2 1 80 PRO HD2 3.360 . 4.930 3.972 3.161 4.622 . 0 0 "[ . 1 . 2]" 1
994 1 80 PRO HA 1 81 ILE H 2.240 . 2.690 2.336 2.132 2.727 0.037 7 0 "[ . 1 . 2]" 1
995 1 81 ILE H 1 81 ILE HB 2.530 . 3.260 2.752 2.521 3.277 0.017 4 0 "[ . 1 . 2]" 1
996 1 81 ILE H 1 81 ILE HG12 3.230 . 4.670 3.874 2.183 4.489 . 0 0 "[ . 1 . 2]" 1
997 1 81 ILE H 1 81 ILE QG 3.060 . 4.330 3.283 1.839 4.058 . 0 0 "[ . 1 . 2]" 1
998 1 81 ILE H 1 81 ILE HG13 3.230 . 4.670 3.810 1.853 4.703 0.033 12 0 "[ . 1 . 2]" 1
999 1 81 ILE HA 1 81 ILE MD 3.130 . 4.460 3.454 2.053 3.906 . 0 0 "[ . 1 . 2]" 1
1000 1 81 ILE HA 1 82 GLU H 2.330 . 2.870 2.191 2.084 2.374 . 0 0 "[ . 1 . 2]" 1
1001 1 81 ILE HB 1 82 GLU H 2.870 . 3.950 4.019 3.832 4.120 0.170 20 0 "[ . 1 . 2]" 1
1002 1 81 ILE MG 1 82 GLU H 3.470 . 5.150 3.186 2.186 4.137 . 0 0 "[ . 1 . 2]" 1
1003 1 82 GLU H 1 82 GLU HB2 2.890 . 3.980 2.764 2.403 3.637 . 0 0 "[ . 1 . 2]" 1
1004 1 82 GLU H 1 82 GLU QB 2.720 . 3.650 2.520 2.258 2.989 . 0 0 "[ . 1 . 2]" 1
1005 1 82 GLU H 1 82 GLU HB3 2.890 . 3.980 3.283 2.543 3.853 . 0 0 "[ . 1 . 2]" 1
1006 1 82 GLU H 1 82 GLU QG 4.140 . 6.490 2.944 1.778 4.214 0.012 17 0 "[ . 1 . 2]" 1
1007 1 82 GLU HA 1 83 SER H 2.550 . 3.300 2.351 2.081 3.031 . 0 0 "[ . 1 . 2]" 1
1008 1 85 TYR H 1 85 TYR HB2 3.000 . 4.200 3.137 2.385 3.997 . 0 0 "[ . 1 . 2]" 1
1009 1 85 TYR H 1 85 TYR QB 2.830 . 3.870 2.744 2.213 3.395 . 0 0 "[ . 1 . 2]" 1
1010 1 85 TYR H 1 85 TYR HB3 3.000 . 4.200 3.192 2.360 4.048 . 0 0 "[ . 1 . 2]" 1
1011 1 85 TYR HA 1 86 THR H 2.460 . 3.120 2.325 2.102 2.790 . 0 0 "[ . 1 . 2]" 1
1012 1 85 TYR HB2 1 86 THR H 3.320 . 4.850 3.725 2.255 4.589 . 0 0 "[ . 1 . 2]" 1
1013 1 85 TYR HB3 1 86 THR H 3.320 . 4.850 3.687 1.883 4.435 . 0 0 "[ . 1 . 2]" 1
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