NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
460043 |
1ufn   |
10065 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ufn
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 2198
_Distance_constraint_stats_list.Viol_count 1518
_Distance_constraint_stats_list.Viol_total 405.566
_Distance_constraint_stats_list.Viol_max 0.224
_Distance_constraint_stats_list.Viol_rms 0.0045
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0134
_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 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ASP 0.092 0.026 9 0 "[ . 1 . 2]"
1 10 ALA 0.124 0.026 9 0 "[ . 1 . 2]"
1 11 VAL 0.041 0.011 19 0 "[ . 1 . 2]"
1 12 ASP 0.012 0.012 11 0 "[ . 1 . 2]"
1 13 PHE 0.481 0.125 14 0 "[ . 1 . 2]"
1 14 SER 0.244 0.125 14 0 "[ . 1 . 2]"
1 15 PRO 0.018 0.012 9 0 "[ . 1 . 2]"
1 16 THR 0.099 0.016 6 0 "[ . 1 . 2]"
1 17 LEU 0.687 0.031 19 0 "[ . 1 . 2]"
1 18 PRO 0.105 0.014 6 0 "[ . 1 . 2]"
1 19 VAL 0.243 0.031 9 0 "[ . 1 . 2]"
1 20 THR 0.346 0.084 2 0 "[ . 1 . 2]"
1 21 CYS 0.178 0.029 11 0 "[ . 1 . 2]"
1 22 GLY 0.066 0.020 17 0 "[ . 1 . 2]"
1 23 LYS 0.080 0.020 17 0 "[ . 1 . 2]"
1 24 ALA 0.171 0.011 8 0 "[ . 1 . 2]"
1 25 LYS 0.312 0.084 2 0 "[ . 1 . 2]"
1 26 GLY 0.023 0.021 2 0 "[ . 1 . 2]"
1 27 THR 0.015 0.006 4 0 "[ . 1 . 2]"
1 28 LEU 1.235 0.042 10 0 "[ . 1 . 2]"
1 29 PHE 0.276 0.020 19 0 "[ . 1 . 2]"
1 30 GLN 2.295 0.085 14 0 "[ . 1 . 2]"
1 31 GLU 0.434 0.067 11 0 "[ . 1 . 2]"
1 32 LYS 2.756 0.146 13 0 "[ . 1 . 2]"
1 33 LEU 2.449 0.146 13 0 "[ . 1 . 2]"
1 34 LYS 1.050 0.124 17 0 "[ . 1 . 2]"
1 35 GLN 2.086 0.224 19 0 "[ . 1 . 2]"
1 36 GLY 0.235 0.083 15 0 "[ . 1 . 2]"
1 37 ALA 0.264 0.044 6 0 "[ . 1 . 2]"
1 38 SER 0.022 0.019 5 0 "[ . 1 . 2]"
1 39 LYS 0.305 0.056 15 0 "[ . 1 . 2]"
1 40 LYS 0.579 0.061 10 0 "[ . 1 . 2]"
1 41 CYS 0.456 0.041 18 0 "[ . 1 . 2]"
1 42 ILE 0.528 0.056 18 0 "[ . 1 . 2]"
1 43 GLN 0.041 0.015 18 0 "[ . 1 . 2]"
1 44 ASN 0.395 0.039 14 0 "[ . 1 . 2]"
1 45 GLU 0.070 0.024 12 0 "[ . 1 . 2]"
1 46 ALA 0.218 0.039 14 0 "[ . 1 . 2]"
1 47 GLY 0.030 0.008 18 0 "[ . 1 . 2]"
1 48 ASP 0.084 0.011 11 0 "[ . 1 . 2]"
1 49 TRP 0.776 0.076 7 0 "[ . 1 . 2]"
1 50 LEU 1.079 0.076 7 0 "[ . 1 . 2]"
1 51 THR 0.305 0.097 11 0 "[ . 1 . 2]"
1 52 VAL 0.696 0.038 9 0 "[ . 1 . 2]"
1 53 LYS 0.219 0.054 11 0 "[ . 1 . 2]"
1 54 GLU 0.839 0.097 11 0 "[ . 1 . 2]"
1 55 PHE 0.592 0.045 18 0 "[ . 1 . 2]"
1 56 LEU 0.823 0.047 11 0 "[ . 1 . 2]"
1 57 ASN 0.797 0.081 14 0 "[ . 1 . 2]"
1 58 GLU 0.744 0.064 8 0 "[ . 1 . 2]"
1 59 GLY 0.545 0.064 8 0 "[ . 1 . 2]"
1 60 GLY 1.069 0.105 14 0 "[ . 1 . 2]"
1 61 ARG 0.614 0.047 11 0 "[ . 1 . 2]"
1 62 ALA 0.349 0.105 14 0 "[ . 1 . 2]"
1 63 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 SER 0.076 0.020 14 0 "[ . 1 . 2]"
1 65 LYS 0.002 0.002 6 0 "[ . 1 . 2]"
1 66 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 TRP 1.016 0.069 12 0 "[ . 1 . 2]"
1 68 LYS 0.318 0.042 9 0 "[ . 1 . 2]"
1 69 GLY 0.128 0.019 20 0 "[ . 1 . 2]"
1 70 VAL 0.498 0.069 12 0 "[ . 1 . 2]"
1 71 ILE 0.311 0.031 13 0 "[ . 1 . 2]"
1 72 ARG 0.222 0.019 5 0 "[ . 1 . 2]"
1 73 CYS 0.298 0.045 10 0 "[ . 1 . 2]"
1 74 ASN 0.122 0.045 10 0 "[ . 1 . 2]"
1 75 GLY 0.037 0.016 5 0 "[ . 1 . 2]"
1 76 GLU 0.584 0.045 10 0 "[ . 1 . 2]"
1 77 THR 0.207 0.020 10 0 "[ . 1 . 2]"
1 78 LEU 0.241 0.026 11 0 "[ . 1 . 2]"
1 79 ARG 0.422 0.026 11 0 "[ . 1 . 2]"
1 80 HIS 0.341 0.019 10 0 "[ . 1 . 2]"
1 81 LEU 0.140 0.023 19 0 "[ . 1 . 2]"
1 82 GLU 0.280 0.038 6 0 "[ . 1 . 2]"
1 83 GLN 0.185 0.045 19 0 "[ . 1 . 2]"
1 84 LYS 0.188 0.068 19 0 "[ . 1 . 2]"
1 85 GLY 0.077 0.019 19 0 "[ . 1 . 2]"
1 86 LEU 0.207 0.068 19 0 "[ . 1 . 2]"
1 87 LEU 0.291 0.063 20 0 "[ . 1 . 2]"
1 88 PHE 1.126 0.124 17 0 "[ . 1 . 2]"
1 89 SER 0.189 0.019 19 0 "[ . 1 . 2]"
1 90 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 PRO 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]"
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 10 ALA H 1 10 ALA MB . . 2.820 2.339 2.043 2.811 . 0 0 "[ . 1 . 2]" 1
2 1 9 ASP HB2 1 10 ALA H . . 4.430 3.644 2.266 4.434 0.004 1 0 "[ . 1 . 2]" 1
3 1 9 ASP HA 1 10 ALA H . . 3.350 2.669 2.142 3.366 0.016 12 0 "[ . 1 . 2]" 1
4 1 24 ALA H 1 24 ALA MB . . 2.430 2.381 2.292 2.441 0.011 8 0 "[ . 1 . 2]" 1
5 1 20 THR MG 1 24 ALA H . . 5.500 5.473 5.383 5.508 0.008 19 0 "[ . 1 . 2]" 1
6 1 23 LYS QG 1 24 ALA H . . 4.560 3.647 3.150 4.365 . 0 0 "[ . 1 . 2]" 1
7 1 23 LYS HB2 1 24 ALA H . . 4.590 4.243 3.854 4.461 . 0 0 "[ . 1 . 2]" 1
8 1 21 CYS HB2 1 24 ALA H . . 5.500 5.333 5.223 5.477 . 0 0 "[ . 1 . 2]" 1
9 1 24 ALA H 1 59 GLY HA3 . . 3.770 3.475 2.979 3.751 . 0 0 "[ . 1 . 2]" 1
10 1 24 ALA H 1 59 GLY HA2 . . 3.610 3.423 3.125 3.614 0.004 4 0 "[ . 1 . 2]" 1
11 1 22 GLY HA3 1 24 ALA H . . 3.690 3.613 3.507 3.659 . 0 0 "[ . 1 . 2]" 1
12 1 23 LYS HA 1 24 ALA H . . 3.210 3.101 3.069 3.218 0.008 9 0 "[ . 1 . 2]" 1
13 1 20 THR HA 1 24 ALA H . . 5.370 5.088 5.001 5.316 . 0 0 "[ . 1 . 2]" 1
14 1 24 ALA H 1 59 GLY H . . 5.240 4.925 4.398 5.227 . 0 0 "[ . 1 . 2]" 1
15 1 23 LYS H 1 24 ALA H . . 2.580 2.469 2.216 2.587 0.007 12 0 "[ . 1 . 2]" 1
16 1 37 ALA H 1 37 ALA MB . . 2.460 2.151 2.064 2.213 . 0 0 "[ . 1 . 2]" 1
17 1 36 GLY HA2 1 37 ALA H . . 2.860 2.244 2.138 2.370 . 0 0 "[ . 1 . 2]" 1
18 1 37 ALA H 1 37 ALA HA . . 2.900 2.821 2.707 2.887 . 0 0 "[ . 1 . 2]" 1
19 1 36 GLY HA3 1 37 ALA H . . 3.280 2.998 2.776 3.280 . 0 0 "[ . 1 . 2]" 1
20 1 37 ALA H 1 39 LYS H . . 4.620 4.431 4.341 4.533 . 0 0 "[ . 1 . 2]" 1
21 1 36 GLY H 1 37 ALA H . . 4.370 4.127 3.752 4.344 . 0 0 "[ . 1 . 2]" 1
22 1 37 ALA H 1 38 SER H . . 3.080 2.785 2.679 2.939 . 0 0 "[ . 1 . 2]" 1
23 1 46 ALA H 1 46 ALA MB . . 2.400 2.157 2.075 2.232 . 0 0 "[ . 1 . 2]" 1
24 1 45 GLU QB 1 46 ALA H . . 3.520 2.966 2.707 3.544 0.024 12 0 "[ . 1 . 2]" 1
25 1 44 ASN HB3 1 46 ALA H . . 4.220 4.186 4.101 4.249 0.029 14 0 "[ . 1 . 2]" 1
26 1 46 ALA H 1 47 GLY HA2 . . 4.930 4.855 4.799 4.932 0.002 7 0 "[ . 1 . 2]" 1
27 1 44 ASN HB2 1 46 ALA H . . 3.680 3.140 2.868 3.523 . 0 0 "[ . 1 . 2]" 1
28 1 46 ALA H 1 46 ALA HA . . 2.900 2.877 2.861 2.902 0.002 13 0 "[ . 1 . 2]" 1
29 1 44 ASN HA 1 46 ALA H . . 4.350 4.232 4.088 4.389 0.039 14 0 "[ . 1 . 2]" 1
30 1 46 ALA H 1 48 ASP H . . 3.890 3.829 3.627 3.896 0.006 18 0 "[ . 1 . 2]" 1
31 1 45 GLU H 1 46 ALA H . . 2.740 2.679 2.623 2.740 . 14 0 "[ . 1 . 2]" 1
32 1 44 ASN H 1 46 ALA H . . 4.610 4.597 4.554 4.631 0.021 9 0 "[ . 1 . 2]" 1
33 1 44 ASN HD21 1 46 ALA H . . 3.940 3.757 3.629 3.924 . 0 0 "[ . 1 . 2]" 1
34 1 62 ALA H 1 62 ALA MB . . 2.400 2.202 2.051 2.399 . 0 0 "[ . 1 . 2]" 1
35 1 61 ARG HB3 1 62 ALA H . . 4.310 4.181 3.847 4.319 0.009 18 0 "[ . 1 . 2]" 1
36 1 57 ASN HA 1 62 ALA H . . 4.470 2.989 2.717 3.899 . 0 0 "[ . 1 . 2]" 1
37 1 21 CYS H 1 24 ALA H . . 3.880 3.364 3.299 3.571 . 0 0 "[ . 1 . 2]" 1
38 1 61 ARG H 1 62 ALA H . . 4.100 2.558 2.219 3.957 . 0 0 "[ . 1 . 2]" 1
39 1 56 LEU HB2 1 62 ALA H . . 5.310 4.305 3.969 5.326 0.016 14 0 "[ . 1 . 2]" 1
40 1 21 CYS H 1 24 ALA MB . . 3.350 3.025 2.789 3.325 . 0 0 "[ . 1 . 2]" 1
41 1 20 THR MG 1 21 CYS H . . 3.870 3.823 3.693 3.882 0.012 14 0 "[ . 1 . 2]" 1
42 1 21 CYS H 1 21 CYS HB3 . . 2.990 2.739 2.675 2.866 . 0 0 "[ . 1 . 2]" 1
43 1 19 VAL HB 1 21 CYS H . . 5.500 5.430 5.350 5.504 0.004 1 0 "[ . 1 . 2]" 1
44 1 21 CYS H 1 21 CYS HB2 . . 3.230 3.072 2.990 3.131 . 0 0 "[ . 1 . 2]" 1
45 1 20 THR HB 1 21 CYS H . . 3.260 3.199 3.106 3.285 0.025 2 0 "[ . 1 . 2]" 1
46 1 20 THR HA 1 21 CYS H . . 2.400 2.162 2.153 2.176 . 0 0 "[ . 1 . 2]" 1
47 1 21 CYS H 1 55 PHE QE . . 3.430 3.182 2.909 3.370 . 0 0 "[ . 1 . 2]" 1
48 1 21 CYS H 1 26 GLY H . . 5.500 4.847 4.591 4.985 . 0 0 "[ . 1 . 2]" 1
49 1 21 CYS H 1 72 ARG H . . 5.500 4.953 4.762 5.251 . 0 0 "[ . 1 . 2]" 1
50 1 41 CYS H 1 42 ILE MD . . 4.640 4.513 4.179 4.659 0.019 10 0 "[ . 1 . 2]" 1
51 1 41 CYS H 1 51 THR MG . . 4.340 4.267 4.127 4.356 0.016 16 0 "[ . 1 . 2]" 1
52 1 40 LYS HB3 1 41 CYS H . . 3.840 3.779 3.738 3.823 . 0 0 "[ . 1 . 2]" 1
53 1 40 LYS HD3 1 41 CYS H . . 5.140 4.722 4.598 4.910 . 0 0 "[ . 1 . 2]" 1
54 1 40 LYS HB2 1 41 CYS H . . 4.360 4.333 4.306 4.366 0.006 19 0 "[ . 1 . 2]" 1
55 1 41 CYS H 1 41 CYS HG . . 3.410 3.184 3.030 3.421 0.011 13 0 "[ . 1 . 2]" 1
56 1 41 CYS H 1 41 CYS HB3 . . 3.340 3.123 3.067 3.207 . 0 0 "[ . 1 . 2]" 1
57 1 41 CYS H 1 41 CYS HB2 . . 3.750 3.737 3.701 3.758 0.008 8 0 "[ . 1 . 2]" 1
58 1 40 LYS HA 1 41 CYS H . . 2.400 2.168 2.160 2.179 . 0 0 "[ . 1 . 2]" 1
59 1 41 CYS H 1 51 THR HB . . 5.420 5.296 5.118 5.446 0.026 7 0 "[ . 1 . 2]" 1
60 1 41 CYS H 1 42 ILE HA . . 4.660 4.633 4.618 4.659 . 0 0 "[ . 1 . 2]" 1
61 1 41 CYS H 1 49 TRP HE3 . . 4.160 3.941 3.843 4.043 . 0 0 "[ . 1 . 2]" 1
62 1 41 CYS H 1 52 VAL H . . 4.220 3.897 3.776 4.036 . 0 0 "[ . 1 . 2]" 1
63 1 72 ARG HB3 1 73 CYS H . . 3.220 3.075 2.997 3.199 . 0 0 "[ . 1 . 2]" 1
64 1 73 CYS H 1 76 GLU HB2 . . 4.530 4.400 4.262 4.575 0.045 10 0 "[ . 1 . 2]" 1
65 1 73 CYS H 1 73 CYS HB3 . . 2.910 2.518 2.407 2.586 . 0 0 "[ . 1 . 2]" 1
66 1 73 CYS H 1 73 CYS HB2 . . 3.190 3.072 2.653 3.195 0.005 12 0 "[ . 1 . 2]" 1
67 1 73 CYS H 1 77 THR HA . . 4.290 3.215 2.889 4.310 0.020 10 0 "[ . 1 . 2]" 1
68 1 72 ARG HA 1 73 CYS H . . 2.450 2.190 2.164 2.209 . 0 0 "[ . 1 . 2]" 1
69 1 9 ASP H 1 9 ASP HB3 . . 3.930 3.318 2.584 3.751 . 0 0 "[ . 1 . 2]" 1
70 1 10 ALA MB 1 12 ASP H . . 4.690 3.448 2.309 4.586 . 0 0 "[ . 1 . 2]" 1
71 1 11 VAL HB 1 12 ASP H . . 4.100 3.434 2.279 4.065 . 0 0 "[ . 1 . 2]" 1
72 1 12 ASP H 1 12 ASP HB3 . . 3.850 2.939 2.216 3.842 . 0 0 "[ . 1 . 2]" 1
73 1 10 ALA HA 1 12 ASP H . . 4.650 3.881 3.101 4.649 . 0 0 "[ . 1 . 2]" 1
74 1 12 ASP H 1 13 PHE H . . 3.130 2.707 2.123 3.019 . 0 0 "[ . 1 . 2]" 1
75 1 43 GLN HG3 1 48 ASP H . . 4.920 4.662 4.488 4.887 . 0 0 "[ . 1 . 2]" 1
76 1 46 ALA MB 1 48 ASP H . . 2.910 2.589 2.413 2.762 . 0 0 "[ . 1 . 2]" 1
77 1 44 ASN HB3 1 48 ASP H . . 5.090 5.006 4.809 5.097 0.007 12 0 "[ . 1 . 2]" 1
78 1 47 GLY HA2 1 48 ASP H . . 3.450 3.424 3.383 3.457 0.007 18 0 "[ . 1 . 2]" 1
79 1 47 GLY HA3 1 48 ASP H . . 3.230 3.088 3.030 3.151 . 0 0 "[ . 1 . 2]" 1
80 1 43 GLN HA 1 48 ASP H . . 5.210 5.166 4.997 5.212 0.002 5 0 "[ . 1 . 2]" 1
81 1 44 ASN H 1 48 ASP H . . 4.230 4.045 3.928 4.232 0.002 18 0 "[ . 1 . 2]" 1
82 1 66 ASP H 1 66 ASP HB3 . . 3.780 3.298 2.419 3.665 . 0 0 "[ . 1 . 2]" 1
83 1 66 ASP H 1 66 ASP HB2 . . 3.780 2.670 2.345 3.591 . 0 0 "[ . 1 . 2]" 1
84 1 31 GLU H 1 32 LYS HG3 . . 5.500 5.404 5.179 5.506 0.006 14 0 "[ . 1 . 2]" 1
85 1 30 GLN HB2 1 31 GLU H . . 3.200 2.671 2.476 2.945 . 0 0 "[ . 1 . 2]" 1
86 1 30 GLN HG3 1 31 GLU H . . 4.310 3.729 3.605 3.867 . 0 0 "[ . 1 . 2]" 1
87 1 31 GLU H 1 31 GLU HG2 . . 4.550 2.985 1.899 4.257 . 0 0 "[ . 1 . 2]" 1
88 1 29 PHE HB3 1 31 GLU H . . 3.710 3.195 2.970 3.402 . 0 0 "[ . 1 . 2]" 1
89 1 30 GLN HA 1 31 GLU H . . 3.560 3.527 3.483 3.553 . 0 0 "[ . 1 . 2]" 1
90 1 31 GLU H 1 31 GLU HA . . 2.900 2.803 2.769 2.846 . 0 0 "[ . 1 . 2]" 1
91 1 45 GLU H 1 45 GLU HG3 . . 3.420 2.792 2.165 3.316 . 0 0 "[ . 1 . 2]" 1
92 1 26 GLY HA3 1 45 GLU H . . 5.120 4.742 4.203 5.058 . 0 0 "[ . 1 . 2]" 1
93 1 26 GLY HA2 1 45 GLU H . . 4.040 3.653 3.228 3.976 . 0 0 "[ . 1 . 2]" 1
94 1 44 ASN HA 1 45 GLU H . . 2.670 2.540 2.501 2.585 . 0 0 "[ . 1 . 2]" 1
95 1 44 ASN HD21 1 45 GLU H . . 4.730 4.581 4.454 4.688 . 0 0 "[ . 1 . 2]" 1
96 1 51 THR MG 1 54 GLU H . . 4.370 3.956 3.833 4.145 . 0 0 "[ . 1 . 2]" 1
97 1 53 LYS HG3 1 54 GLU H . . 5.020 4.597 4.113 4.898 . 0 0 "[ . 1 . 2]" 1
98 1 53 LYS HG2 1 54 GLU H . . 5.020 4.401 3.508 4.943 . 0 0 "[ . 1 . 2]" 1
99 1 53 LYS QB 1 54 GLU H . . 2.760 2.336 2.162 2.508 . 0 0 "[ . 1 . 2]" 1
100 1 50 LEU HB3 1 54 GLU H . . 4.570 4.452 4.335 4.557 . 0 0 "[ . 1 . 2]" 1
101 1 54 GLU H 1 54 GLU HB2 . . 3.050 2.308 2.234 2.398 . 0 0 "[ . 1 . 2]" 1
102 1 54 GLU H 1 54 GLU QG . . 3.460 2.758 2.442 3.464 0.004 15 0 "[ . 1 . 2]" 1
103 1 54 GLU H 1 55 PHE HB2 . . 5.500 5.231 5.139 5.343 . 0 0 "[ . 1 . 2]" 1
104 1 54 GLU H 1 57 ASN HB2 . . 5.500 5.205 5.077 5.453 . 0 0 "[ . 1 . 2]" 1
105 1 40 LYS QE 1 54 GLU H . . 5.500 5.484 5.389 5.561 0.061 10 0 "[ . 1 . 2]" 1
106 1 54 GLU H 1 55 PHE HB3 . . 5.500 5.178 5.094 5.309 . 0 0 "[ . 1 . 2]" 1
107 1 52 VAL HA 1 54 GLU H . . 5.210 5.016 4.813 5.190 . 0 0 "[ . 1 . 2]" 1
108 1 53 LYS HA 1 54 GLU H . . 3.570 3.565 3.551 3.572 0.002 11 0 "[ . 1 . 2]" 1
109 1 54 GLU H 1 54 GLU HA . . 2.870 2.733 2.702 2.768 . 0 0 "[ . 1 . 2]" 1
110 1 51 THR HB 1 54 GLU H . . 3.860 3.671 3.441 3.957 0.097 11 0 "[ . 1 . 2]" 1
111 1 50 LEU HA 1 54 GLU H . . 5.500 5.449 5.299 5.540 0.040 20 0 "[ . 1 . 2]" 1
112 1 51 THR HG1 1 54 GLU H . . 3.400 2.081 1.836 2.694 . 0 0 "[ . 1 . 2]" 1
113 1 54 GLU H 1 56 LEU H . . 4.450 4.350 4.213 4.464 0.014 11 0 "[ . 1 . 2]" 1
114 1 24 ALA MB 1 58 GLU H . . 4.720 4.215 3.819 4.561 . 0 0 "[ . 1 . 2]" 1
115 1 56 LEU HB3 1 58 GLU H . . 5.500 5.514 5.501 5.532 0.032 14 0 "[ . 1 . 2]" 1
116 1 58 GLU H 1 62 ALA MB . . 5.500 5.233 4.828 5.502 0.002 20 0 "[ . 1 . 2]" 1
117 1 56 LEU HB2 1 58 GLU H . . 4.990 4.810 4.743 4.854 . 0 0 "[ . 1 . 2]" 1
118 1 58 GLU H 1 58 GLU HB2 . . 2.530 2.210 2.177 2.258 . 0 0 "[ . 1 . 2]" 1
119 1 58 GLU H 1 59 GLY HA3 . . 5.240 5.080 4.917 5.124 . 0 0 "[ . 1 . 2]" 1
120 1 58 GLU H 1 58 GLU HA . . 2.850 2.778 2.763 2.821 . 0 0 "[ . 1 . 2]" 1
121 1 55 PHE QD 1 58 GLU H . . 5.330 5.253 5.168 5.333 0.003 8 0 "[ . 1 . 2]" 1
122 1 76 GLU H 1 81 LEU MD1 . . 5.020 4.246 3.618 4.899 . 0 0 "[ . 1 . 2]" 1
123 1 76 GLU H 1 81 LEU MD2 . . 5.450 4.281 3.686 4.897 . 0 0 "[ . 1 . 2]" 1
124 1 72 ARG HB3 1 76 GLU H . . 3.930 3.705 3.052 3.927 . 0 0 "[ . 1 . 2]" 1
125 1 76 GLU H 1 76 GLU HB2 . . 2.650 2.479 2.365 2.546 . 0 0 "[ . 1 . 2]" 1
126 1 76 GLU H 1 76 GLU HB3 . . 3.700 3.669 3.542 3.715 0.015 13 0 "[ . 1 . 2]" 1
127 1 73 CYS HB3 1 76 GLU H . . 4.570 4.320 4.039 4.559 . 0 0 "[ . 1 . 2]" 1
128 1 74 ASN HB3 1 76 GLU H . . 4.930 4.380 3.869 4.975 0.045 10 0 "[ . 1 . 2]" 1
129 1 74 ASN HB2 1 76 GLU H . . 4.930 3.592 3.302 4.152 . 0 0 "[ . 1 . 2]" 1
130 1 75 GLY HA2 1 76 GLU H . . 3.420 3.354 3.295 3.389 . 0 0 "[ . 1 . 2]" 1
131 1 75 GLY HA3 1 76 GLU H . . 3.260 3.192 3.148 3.262 0.002 13 0 "[ . 1 . 2]" 1
132 1 72 ARG HA 1 76 GLU H . . 5.020 4.662 4.181 4.953 . 0 0 "[ . 1 . 2]" 1
133 1 75 GLY H 1 76 GLU H . . 2.850 2.504 2.069 2.672 . 0 0 "[ . 1 . 2]" 1
134 1 73 CYS H 1 76 GLU H . . 3.500 3.269 3.060 3.428 . 0 0 "[ . 1 . 2]" 1
135 1 74 ASN H 1 76 GLU H . . 4.330 3.779 2.706 4.098 . 0 0 "[ . 1 . 2]" 1
136 1 73 CYS HA 1 76 GLU H . . 5.500 4.717 4.392 5.522 0.022 10 0 "[ . 1 . 2]" 1
137 1 81 LEU MD1 1 82 GLU H . . 5.080 4.386 4.194 4.464 . 0 0 "[ . 1 . 2]" 1
138 1 81 LEU MD2 1 82 GLU H . . 5.500 4.673 4.616 4.728 . 0 0 "[ . 1 . 2]" 1
139 1 82 GLU H 1 87 LEU HB2 . . 3.960 3.694 3.303 3.963 0.003 1 0 "[ . 1 . 2]" 1
140 1 82 GLU H 1 87 LEU HB3 . . 3.890 3.079 2.803 3.278 . 0 0 "[ . 1 . 2]" 1
141 1 82 GLU H 1 86 LEU HB2 . . 5.500 4.732 4.436 5.246 . 0 0 "[ . 1 . 2]" 1
142 1 81 LEU HB2 1 82 GLU H . . 2.940 2.556 2.499 2.647 . 0 0 "[ . 1 . 2]" 1
143 1 82 GLU H 1 82 GLU HB2 . . 2.630 2.493 2.376 2.621 . 0 0 "[ . 1 . 2]" 1
144 1 82 GLU H 1 82 GLU HB3 . . 2.710 2.556 2.427 2.679 . 0 0 "[ . 1 . 2]" 1
145 1 81 LEU HA 1 82 GLU H . . 3.550 3.541 3.527 3.547 . 0 0 "[ . 1 . 2]" 1
146 1 82 GLU H 1 82 GLU HA . . 2.850 2.789 2.774 2.809 . 0 0 "[ . 1 . 2]" 1
147 1 80 HIS HA 1 82 GLU H . . 4.550 4.491 4.417 4.555 0.005 10 0 "[ . 1 . 2]" 1
148 1 10 ALA MB 1 13 PHE H . . 4.410 3.218 2.346 3.896 . 0 0 "[ . 1 . 2]" 1
149 1 11 VAL HB 1 13 PHE H . . 5.410 5.006 3.828 5.410 . 0 0 "[ . 1 . 2]" 1
150 1 12 ASP HB3 1 13 PHE H . . 4.470 3.758 2.969 4.464 . 0 0 "[ . 1 . 2]" 1
151 1 12 ASP HB2 1 13 PHE H . . 4.470 3.799 2.632 4.482 0.012 11 0 "[ . 1 . 2]" 1
152 1 13 PHE H 1 13 PHE QB . . 3.070 2.464 2.172 3.162 0.092 14 0 "[ . 1 . 2]" 1
153 1 11 VAL HA 1 13 PHE H . . 4.800 3.847 3.333 4.688 . 0 0 "[ . 1 . 2]" 1
154 1 13 PHE H 1 13 PHE QD . . 4.290 3.426 1.898 4.292 0.002 19 0 "[ . 1 . 2]" 1
155 1 13 PHE H 1 14 SER H . . 3.770 2.747 2.023 3.773 0.003 7 0 "[ . 1 . 2]" 1
156 1 16 THR MG 1 29 PHE H . . 4.780 4.679 4.515 4.771 . 0 0 "[ . 1 . 2]" 1
157 1 27 THR MG 1 29 PHE H . . 4.730 4.550 4.426 4.661 . 0 0 "[ . 1 . 2]" 1
158 1 28 LEU HG 1 29 PHE H . . 3.340 2.662 2.564 2.763 . 0 0 "[ . 1 . 2]" 1
159 1 28 LEU HB2 1 29 PHE H . . 4.100 4.036 3.993 4.093 . 0 0 "[ . 1 . 2]" 1
160 1 29 PHE H 1 42 ILE HG13 . . 5.060 4.802 4.477 4.994 . 0 0 "[ . 1 . 2]" 1
161 1 29 PHE H 1 32 LYS HB3 . . 5.500 4.842 4.667 5.194 . 0 0 "[ . 1 . 2]" 1
162 1 29 PHE H 1 29 PHE HB3 . . 3.700 3.693 3.666 3.710 0.010 17 0 "[ . 1 . 2]" 1
163 1 29 PHE H 1 29 PHE HB2 . . 2.760 2.498 2.450 2.535 . 0 0 "[ . 1 . 2]" 1
164 1 29 PHE H 1 49 TRP HZ3 . . 4.170 3.654 3.456 3.912 . 0 0 "[ . 1 . 2]" 1
165 1 29 PHE H 1 29 PHE QE . . 4.660 4.623 4.458 4.671 0.011 4 0 "[ . 1 . 2]" 1
166 1 29 PHE H 1 32 LYS HB2 . . 5.210 3.744 3.567 4.006 . 0 0 "[ . 1 . 2]" 1
167 1 42 ILE MD 1 55 PHE H . . 3.760 3.566 3.356 3.786 0.026 20 0 "[ . 1 . 2]" 1
168 1 50 LEU MD2 1 55 PHE H . . 4.770 4.232 3.949 4.762 . 0 0 "[ . 1 . 2]" 1
169 1 42 ILE HB 1 55 PHE H . . 4.510 4.336 4.183 4.513 0.003 13 0 "[ . 1 . 2]" 1
170 1 50 LEU HB2 1 55 PHE H . . 3.770 3.312 2.932 3.690 . 0 0 "[ . 1 . 2]" 1
171 1 53 LYS QB 1 55 PHE H . . 5.120 4.851 4.635 4.994 . 0 0 "[ . 1 . 2]" 1
172 1 50 LEU HB3 1 55 PHE H . . 3.190 2.652 2.277 3.060 . 0 0 "[ . 1 . 2]" 1
173 1 54 GLU HB3 1 55 PHE H . . 3.330 2.983 2.803 3.316 . 0 0 "[ . 1 . 2]" 1
174 1 54 GLU HB2 1 55 PHE H . . 2.900 2.480 2.288 2.747 . 0 0 "[ . 1 . 2]" 1
175 1 55 PHE H 1 55 PHE HB2 . . 2.550 2.385 2.324 2.468 . 0 0 "[ . 1 . 2]" 1
176 1 55 PHE H 1 55 PHE HB3 . . 2.860 2.749 2.594 2.839 . 0 0 "[ . 1 . 2]" 1
177 1 52 VAL HA 1 55 PHE H . . 4.550 4.329 4.104 4.548 . 0 0 "[ . 1 . 2]" 1
178 1 53 LYS HA 1 55 PHE H . . 4.930 4.748 4.294 4.951 0.021 18 0 "[ . 1 . 2]" 1
179 1 55 PHE H 1 55 PHE HA . . 2.890 2.697 2.664 2.778 . 0 0 "[ . 1 . 2]" 1
180 1 54 GLU H 1 55 PHE H . . 3.110 3.028 2.867 3.120 0.010 11 0 "[ . 1 . 2]" 1
181 1 51 THR H 1 55 PHE H . . 4.170 3.876 3.539 4.165 . 0 0 "[ . 1 . 2]" 1
182 1 87 LEU HB3 1 88 PHE H . . 4.230 4.016 3.721 4.235 0.005 5 0 "[ . 1 . 2]" 1
183 1 88 PHE H 1 88 PHE HB3 . . 2.940 2.344 2.224 2.510 . 0 0 "[ . 1 . 2]" 1
184 1 87 LEU HA 1 88 PHE H . . 2.510 2.188 2.138 2.301 . 0 0 "[ . 1 . 2]" 1
185 1 88 PHE H 1 88 PHE HA . . 2.920 2.843 2.750 2.927 0.007 19 0 "[ . 1 . 2]" 1
186 1 30 GLN HE22 1 88 PHE H . . 3.860 2.522 2.046 3.027 . 0 0 "[ . 1 . 2]" 1
187 1 88 PHE H 1 88 PHE QE . . 5.320 4.322 4.202 4.560 . 0 0 "[ . 1 . 2]" 1
188 1 80 HIS H 1 81 LEU MD1 . . 5.500 5.230 5.007 5.375 . 0 0 "[ . 1 . 2]" 1
189 1 80 HIS H 1 81 LEU MD2 . . 5.500 5.374 5.120 5.507 0.007 5 0 "[ . 1 . 2]" 1
190 1 77 THR MG 1 80 HIS H . . 4.440 4.363 4.256 4.429 . 0 0 "[ . 1 . 2]" 1
191 1 79 ARG HG3 1 80 HIS H . . 5.100 4.459 3.325 4.993 . 0 0 "[ . 1 . 2]" 1
192 1 79 ARG HB3 1 80 HIS H . . 2.850 2.597 2.473 2.706 . 0 0 "[ . 1 . 2]" 1
193 1 80 HIS H 1 81 LEU HB2 . . 5.240 4.950 4.877 5.068 . 0 0 "[ . 1 . 2]" 1
194 1 79 ARG HD2 1 80 HIS H . . 5.500 4.226 2.673 5.511 0.011 5 0 "[ . 1 . 2]" 1
195 1 79 ARG HD3 1 80 HIS H . . 5.500 4.986 4.388 5.498 . 0 0 "[ . 1 . 2]" 1
196 1 80 HIS H 1 80 HIS HB2 . . 2.660 2.407 2.288 2.518 . 0 0 "[ . 1 . 2]" 1
197 1 79 ARG HA 1 80 HIS H . . 3.560 3.541 3.528 3.558 . 0 0 "[ . 1 . 2]" 1
198 1 78 LEU HA 1 80 HIS H . . 4.570 4.368 4.226 4.553 . 0 0 "[ . 1 . 2]" 1
199 1 80 HIS H 1 80 HIS HA . . 2.830 2.801 2.781 2.821 . 0 0 "[ . 1 . 2]" 1
200 1 77 THR HB 1 80 HIS H . . 3.690 3.555 3.384 3.691 0.001 20 0 "[ . 1 . 2]" 1
201 1 80 HIS H 1 82 GLU H . . 4.240 4.171 4.061 4.250 0.010 13 0 "[ . 1 . 2]" 1
202 1 76 GLU HB3 1 80 HIS H . . 5.060 4.818 4.619 5.021 . 0 0 "[ . 1 . 2]" 1
203 1 80 HIS H 1 82 GLU HB3 . . 5.500 5.206 4.965 5.474 . 0 0 "[ . 1 . 2]" 1
204 1 80 HIS H 1 83 GLN HB2 . . 5.500 5.465 5.350 5.519 0.019 10 0 "[ . 1 . 2]" 1
205 1 42 ILE H 1 42 ILE MG . . 3.800 3.768 3.742 3.792 . 0 0 "[ . 1 . 2]" 1
206 1 42 ILE H 1 42 ILE HB . . 2.640 2.467 2.407 2.558 . 0 0 "[ . 1 . 2]" 1
207 1 42 ILE H 1 50 LEU HB2 . . 4.560 4.343 4.288 4.418 . 0 0 "[ . 1 . 2]" 1
208 1 42 ILE H 1 42 ILE HG13 . . 3.210 2.443 2.259 2.668 . 0 0 "[ . 1 . 2]" 1
209 1 41 CYS HG 1 42 ILE H . . 4.370 4.050 3.821 4.378 0.008 13 0 "[ . 1 . 2]" 1
210 1 41 CYS HB3 1 42 ILE H . . 4.280 4.141 4.089 4.218 . 0 0 "[ . 1 . 2]" 1
211 1 41 CYS HB2 1 42 ILE H . . 4.050 3.919 3.877 4.032 . 0 0 "[ . 1 . 2]" 1
212 1 41 CYS HA 1 42 ILE H . . 3.500 3.459 3.424 3.479 . 0 0 "[ . 1 . 2]" 1
213 1 42 ILE H 1 49 TRP HA . . 4.820 4.745 4.623 4.830 0.010 8 0 "[ . 1 . 2]" 1
214 1 42 ILE H 1 49 TRP HZ3 . . 5.140 5.039 4.866 5.144 0.004 1 0 "[ . 1 . 2]" 1
215 1 42 ILE H 1 49 TRP HE3 . . 3.720 3.618 3.462 3.723 0.003 5 0 "[ . 1 . 2]" 1
216 1 41 CYS H 1 42 ILE H . . 2.400 1.884 1.874 1.914 . 0 0 "[ . 1 . 2]" 1
217 1 28 LEU MD1 1 42 ILE H . . 4.440 4.208 4.081 4.352 . 0 0 "[ . 1 . 2]" 1
218 1 40 LYS HB3 1 42 ILE H . . 4.460 4.421 4.270 4.486 0.026 14 0 "[ . 1 . 2]" 1
219 1 42 ILE H 1 50 LEU HB3 . . 5.500 5.489 5.424 5.556 0.056 18 0 "[ . 1 . 2]" 1
220 1 70 VAL MG2 1 71 ILE H . . 3.460 1.912 1.828 2.040 . 0 0 "[ . 1 . 2]" 1
221 1 71 ILE H 1 71 ILE HB . . 2.700 2.509 2.468 2.567 . 0 0 "[ . 1 . 2]" 1
222 1 71 ILE H 1 71 ILE HG13 . . 2.840 2.273 2.101 2.482 . 0 0 "[ . 1 . 2]" 1
223 1 68 LYS HA 1 71 ILE H . . 4.440 3.923 3.754 4.058 . 0 0 "[ . 1 . 2]" 1
224 1 69 GLY HA3 1 71 ILE H . . 5.050 4.705 4.492 4.821 . 0 0 "[ . 1 . 2]" 1
225 1 67 TRP HA 1 71 ILE H . . 3.920 3.711 3.537 3.951 0.031 13 0 "[ . 1 . 2]" 1
226 1 70 VAL HA 1 71 ILE H . . 3.560 3.529 3.486 3.548 . 0 0 "[ . 1 . 2]" 1
227 1 70 VAL H 1 71 ILE H . . 2.630 2.589 2.506 2.638 0.008 3 0 "[ . 1 . 2]" 1
228 1 8 ASN H 1 8 ASN HB3 . . 4.040 3.151 2.384 3.750 . 0 0 "[ . 1 . 2]" 1
229 1 8 ASN H 1 8 ASN HB2 . . 4.040 2.769 2.284 3.659 . 0 0 "[ . 1 . 2]" 1
230 1 42 ILE MG 1 44 ASN H . . 4.160 4.008 3.819 4.120 . 0 0 "[ . 1 . 2]" 1
231 1 43 GLN HB2 1 44 ASN H . . 4.500 4.450 4.400 4.515 0.015 18 0 "[ . 1 . 2]" 1
232 1 43 GLN HG3 1 44 ASN H . . 4.100 3.776 3.629 4.058 . 0 0 "[ . 1 . 2]" 1
233 1 43 GLN HG2 1 44 ASN H . . 3.360 3.132 2.978 3.268 . 0 0 "[ . 1 . 2]" 1
234 1 43 GLN HB3 1 44 ASN H . . 4.360 4.107 4.022 4.190 . 0 0 "[ . 1 . 2]" 1
235 1 44 ASN H 1 44 ASN HB3 . . 2.940 2.482 2.342 2.604 . 0 0 "[ . 1 . 2]" 1
236 1 26 GLY HA3 1 44 ASN H . . 5.150 4.429 3.936 4.866 . 0 0 "[ . 1 . 2]" 1
237 1 44 ASN H 1 47 GLY HA2 . . 5.500 4.523 4.306 4.932 . 0 0 "[ . 1 . 2]" 1
238 1 44 ASN H 1 44 ASN HB2 . . 3.610 3.602 3.573 3.616 0.006 4 0 "[ . 1 . 2]" 1
239 1 43 GLN HA 1 44 ASN H . . 2.430 2.141 2.139 2.146 . 0 0 "[ . 1 . 2]" 1
240 1 44 ASN H 1 44 ASN HD22 . . 4.770 4.071 3.454 4.508 . 0 0 "[ . 1 . 2]" 1
241 1 44 ASN H 1 45 GLU H . . 4.620 4.562 4.525 4.602 . 0 0 "[ . 1 . 2]" 1
242 1 44 ASN H 1 50 LEU H . . 4.740 4.524 4.155 4.732 . 0 0 "[ . 1 . 2]" 1
243 1 44 ASN HB3 1 44 ASN HD21 . . 2.990 2.512 2.430 2.554 . 0 0 "[ . 1 . 2]" 1
244 1 44 ASN HA 1 44 ASN HD21 . . 4.630 4.360 3.827 4.629 . 0 0 "[ . 1 . 2]" 1
245 1 44 ASN HD22 1 50 LEU MD2 . . 4.930 4.584 3.513 4.928 . 0 0 "[ . 1 . 2]" 1
246 1 44 ASN HD22 1 46 ALA MB . . 3.280 2.070 1.864 2.375 . 0 0 "[ . 1 . 2]" 1
247 1 44 ASN HD22 1 48 ASP HB3 . . 3.640 3.500 2.323 3.651 0.011 11 0 "[ . 1 . 2]" 1
248 1 44 ASN HD22 1 48 ASP H . . 3.780 2.622 1.792 3.339 . 0 0 "[ . 1 . 2]" 1
249 1 56 LEU MD1 1 57 ASN H . . 5.050 4.180 3.989 4.334 . 0 0 "[ . 1 . 2]" 1
250 1 56 LEU HB2 1 57 ASN H . . 2.730 2.295 2.111 2.425 . 0 0 "[ . 1 . 2]" 1
251 1 57 ASN H 1 58 GLU HB2 . . 4.820 4.727 4.646 4.833 0.013 8 0 "[ . 1 . 2]" 1
252 1 54 GLU QG 1 57 ASN H . . 5.500 5.418 5.261 5.530 0.030 19 0 "[ . 1 . 2]" 1
253 1 53 LYS HA 1 57 ASN H . . 4.930 4.609 4.381 4.757 . 0 0 "[ . 1 . 2]" 1
254 1 54 GLU HA 1 57 ASN H . . 3.830 3.391 3.279 3.595 . 0 0 "[ . 1 . 2]" 1
255 1 57 ASN H 1 57 ASN HA . . 2.800 2.746 2.715 2.773 . 0 0 "[ . 1 . 2]" 1
256 1 57 ASN H 1 58 GLU H . . 2.930 2.839 2.744 2.931 0.001 8 0 "[ . 1 . 2]" 1
257 1 55 PHE H 1 57 ASN H . . 4.730 4.587 4.408 4.741 0.011 8 0 "[ . 1 . 2]" 1
258 1 57 ASN HD21 1 62 ALA MB . . 4.490 2.933 2.008 3.377 . 0 0 "[ . 1 . 2]" 1
259 1 57 ASN HA 1 57 ASN HD21 . . 4.700 3.621 2.829 4.293 . 0 0 "[ . 1 . 2]" 1
260 1 57 ASN HD22 1 62 ALA MB . . 4.490 2.506 1.872 3.535 . 0 0 "[ . 1 . 2]" 1
261 1 57 ASN HA 1 57 ASN HD22 . . 4.700 4.083 3.687 4.491 . 0 0 "[ . 1 . 2]" 1
262 1 73 CYS HB2 1 74 ASN H . . 4.410 4.196 3.527 4.394 . 0 0 "[ . 1 . 2]" 1
263 1 74 ASN H 1 74 ASN HB2 . . 4.110 3.297 2.410 3.671 . 0 0 "[ . 1 . 2]" 1
264 1 28 LEU MD1 1 67 TRP HZ2 . . 5.500 5.464 5.258 5.516 0.016 10 0 "[ . 1 . 2]" 1
265 1 18 PRO HG3 1 74 ASN HD21 . . 4.990 4.144 3.026 4.986 . 0 0 "[ . 1 . 2]" 1
266 1 18 PRO HG3 1 74 ASN HD22 . . 3.860 2.758 1.892 3.639 . 0 0 "[ . 1 . 2]" 1
267 1 18 PRO HG2 1 74 ASN HD22 . . 3.940 2.723 2.209 3.563 . 0 0 "[ . 1 . 2]" 1
268 1 18 PRO HD2 1 74 ASN HD22 . . 4.330 3.847 2.975 4.334 0.004 6 0 "[ . 1 . 2]" 1
269 1 16 THR MG 1 30 GLN H . . 4.340 4.185 3.952 4.344 0.004 16 0 "[ . 1 . 2]" 1
270 1 17 LEU MD1 1 30 GLN H . . 5.210 4.564 4.361 4.736 . 0 0 "[ . 1 . 2]" 1
271 1 28 LEU HG 1 30 GLN H . . 3.660 3.515 3.448 3.637 . 0 0 "[ . 1 . 2]" 1
272 1 17 LEU HG 1 30 GLN H . . 4.460 4.366 4.239 4.427 . 0 0 "[ . 1 . 2]" 1
273 1 30 GLN H 1 30 GLN HG2 . . 3.060 2.246 2.199 2.301 . 0 0 "[ . 1 . 2]" 1
274 1 30 GLN H 1 30 GLN HG3 . . 2.880 1.996 1.935 2.125 . 0 0 "[ . 1 . 2]" 1
275 1 29 PHE HB3 1 30 GLN H . . 3.820 3.821 3.807 3.825 0.005 4 0 "[ . 1 . 2]" 1
276 1 15 PRO HA 1 30 GLN H . . 4.310 3.972 3.732 4.228 . 0 0 "[ . 1 . 2]" 1
277 1 16 THR HA 1 30 GLN H . . 3.440 3.352 3.109 3.456 0.016 6 0 "[ . 1 . 2]" 1
278 1 29 PHE QD 1 30 GLN H . . 5.270 4.758 4.736 4.794 . 0 0 "[ . 1 . 2]" 1
279 1 17 LEU H 1 30 GLN H . . 4.750 4.588 4.495 4.683 . 0 0 "[ . 1 . 2]" 1
280 1 29 PHE H 1 30 GLN H . . 4.150 4.108 4.084 4.130 . 0 0 "[ . 1 . 2]" 1
281 1 30 GLN H 1 31 GLU H . . 3.000 2.910 2.771 2.988 . 0 0 "[ . 1 . 2]" 1
282 1 17 LEU MD1 1 30 GLN HE21 . . 3.590 2.458 2.191 2.755 . 0 0 "[ . 1 . 2]" 1
283 1 17 LEU HG 1 30 GLN HE21 . . 4.320 4.105 3.682 4.316 . 0 0 "[ . 1 . 2]" 1
284 1 30 GLN HE21 1 30 GLN HG2 . . 3.190 2.166 2.121 2.209 . 0 0 "[ . 1 . 2]" 1
285 1 30 GLN HB3 1 30 GLN HE21 . . 3.860 3.166 2.976 3.477 . 0 0 "[ . 1 . 2]" 1
286 1 30 GLN HA 1 30 GLN HE21 . . 4.140 4.102 3.984 4.157 0.017 15 0 "[ . 1 . 2]" 1
287 1 30 GLN HE21 1 88 PHE HA . . 5.500 5.521 5.499 5.581 0.081 20 0 "[ . 1 . 2]" 1
288 1 30 GLN H 1 30 GLN HE21 . . 4.470 4.406 4.311 4.464 . 0 0 "[ . 1 . 2]" 1
289 1 30 GLN HE22 1 30 GLN HG2 . . 3.660 3.455 3.439 3.472 . 0 0 "[ . 1 . 2]" 1
290 1 30 GLN HA 1 30 GLN HE22 . . 5.500 5.449 5.381 5.512 0.012 15 0 "[ . 1 . 2]" 1
291 1 30 GLN HE22 1 87 LEU HA . . 3.720 3.310 2.453 3.748 0.028 19 0 "[ . 1 . 2]" 1
292 1 34 LYS QD 1 35 GLN H . . 5.330 4.471 3.635 5.104 . 0 0 "[ . 1 . 2]" 1
293 1 34 LYS QB 1 35 GLN H . . 3.460 2.747 2.147 3.496 0.036 17 0 "[ . 1 . 2]" 1
294 1 33 LEU HB3 1 35 GLN H . . 5.500 5.193 4.871 5.520 0.020 19 0 "[ . 1 . 2]" 1
295 1 35 GLN H 1 35 GLN HB2 . . 2.720 2.606 2.375 2.773 0.053 18 0 "[ . 1 . 2]" 1
296 1 34 LYS HA 1 35 GLN H . . 3.570 3.540 3.499 3.572 0.002 19 0 "[ . 1 . 2]" 1
297 1 35 GLN H 1 35 GLN HA . . 2.840 2.767 2.663 2.833 . 0 0 "[ . 1 . 2]" 1
298 1 35 GLN H 1 36 GLY H . . 3.140 2.868 2.606 3.147 0.007 19 0 "[ . 1 . 2]" 1
299 1 34 LYS H 1 35 GLN H . . 3.130 2.853 2.724 3.045 . 0 0 "[ . 1 . 2]" 1
300 1 35 GLN HB2 1 35 GLN HE21 . . 4.460 3.097 2.106 4.466 0.006 17 0 "[ . 1 . 2]" 1
301 1 35 GLN HB3 1 35 GLN HE21 . . 4.390 2.956 1.929 4.341 . 0 0 "[ . 1 . 2]" 1
302 1 32 LYS HA 1 35 GLN HE21 . . 5.500 4.423 1.967 5.527 0.027 20 0 "[ . 1 . 2]" 1
303 1 35 GLN HA 1 35 GLN HE21 . . 5.500 4.362 3.492 5.099 . 0 0 "[ . 1 . 2]" 1
304 1 35 GLN HB2 1 35 GLN HE22 . . 5.030 4.189 3.326 5.057 0.027 13 0 "[ . 1 . 2]" 1
305 1 32 LYS HA 1 35 GLN HE22 . . 5.500 4.866 1.858 5.526 0.026 13 0 "[ . 1 . 2]" 1
306 1 35 GLN HA 1 35 GLN HE22 . . 5.500 5.305 3.528 5.660 0.160 12 0 "[ . 1 . 2]" 1
307 1 42 ILE MG 1 43 GLN H . . 3.150 2.974 2.750 3.124 . 0 0 "[ . 1 . 2]" 1
308 1 43 GLN H 1 43 GLN HB2 . . 3.010 2.551 2.481 2.619 . 0 0 "[ . 1 . 2]" 1
309 1 19 VAL MG2 1 43 GLN H . . 5.030 4.512 4.164 4.821 . 0 0 "[ . 1 . 2]" 1
310 1 42 ILE HG12 1 43 GLN H . . 5.460 4.590 4.455 4.842 . 0 0 "[ . 1 . 2]" 1
311 1 27 THR MG 1 43 GLN H . . 4.580 4.323 4.135 4.510 . 0 0 "[ . 1 . 2]" 1
312 1 42 ILE HB 1 43 GLN H . . 4.460 4.383 4.321 4.447 . 0 0 "[ . 1 . 2]" 1
313 1 43 GLN H 1 43 GLN HB3 . . 2.920 2.757 2.684 2.830 . 0 0 "[ . 1 . 2]" 1
314 1 42 ILE HG13 1 43 GLN H . . 5.120 4.953 4.868 5.081 . 0 0 "[ . 1 . 2]" 1
315 1 26 GLY HA3 1 43 GLN H . . 4.520 4.229 4.003 4.519 . 0 0 "[ . 1 . 2]" 1
316 1 27 THR HB 1 43 GLN H . . 3.810 3.428 3.226 3.654 . 0 0 "[ . 1 . 2]" 1
317 1 28 LEU HA 1 43 GLN H . . 4.120 3.878 3.675 4.108 . 0 0 "[ . 1 . 2]" 1
318 1 42 ILE HA 1 43 GLN H . . 2.400 2.153 2.141 2.178 . 0 0 "[ . 1 . 2]" 1
319 1 43 GLN H 1 49 TRP HZ3 . . 4.360 4.068 3.720 4.361 0.001 14 0 "[ . 1 . 2]" 1
320 1 43 GLN H 1 49 TRP HE3 . . 4.170 3.850 3.625 4.080 . 0 0 "[ . 1 . 2]" 1
321 1 29 PHE H 1 43 GLN H . . 5.070 4.874 4.611 5.010 . 0 0 "[ . 1 . 2]" 1
322 1 43 GLN H 1 43 GLN HG3 . . 4.530 4.465 4.411 4.512 . 0 0 "[ . 1 . 2]" 1
323 1 43 GLN HE22 1 43 GLN HG3 . . 3.490 3.458 3.447 3.478 . 0 0 "[ . 1 . 2]" 1
324 1 43 GLN HE22 1 43 GLN HG2 . . 3.890 3.841 3.791 3.874 . 0 0 "[ . 1 . 2]" 1
325 1 43 GLN HE22 1 47 GLY HA2 . . 3.800 3.742 3.649 3.800 0.000 12 0 "[ . 1 . 2]" 1
326 1 43 GLN HE21 1 43 GLN HG3 . . 3.010 2.170 2.142 2.224 . 0 0 "[ . 1 . 2]" 1
327 1 43 GLN HE21 1 43 GLN HG2 . . 3.370 3.047 2.944 3.113 . 0 0 "[ . 1 . 2]" 1
328 1 43 GLN HE21 1 47 GLY HA2 . . 3.480 3.288 3.107 3.415 . 0 0 "[ . 1 . 2]" 1
329 1 82 GLU HB2 1 83 GLN H . . 4.090 3.845 3.724 3.949 . 0 0 "[ . 1 . 2]" 1
330 1 82 GLU HB3 1 83 GLN H . . 2.940 2.554 2.489 2.646 . 0 0 "[ . 1 . 2]" 1
331 1 81 LEU HA 1 83 GLN H . . 4.660 4.414 4.303 4.543 . 0 0 "[ . 1 . 2]" 1
332 1 83 GLN H 1 83 GLN HA . . 2.830 2.791 2.777 2.839 0.009 19 0 "[ . 1 . 2]" 1
333 1 82 GLU H 1 83 GLN H . . 2.840 2.755 2.690 2.801 . 0 0 "[ . 1 . 2]" 1
334 1 83 GLN H 1 84 LYS HB2 . . 5.060 4.867 4.779 4.924 . 0 0 "[ . 1 . 2]" 1
335 1 83 GLN HE21 1 83 GLN HG3 . . 3.380 2.349 2.118 2.875 . 0 0 "[ . 1 . 2]" 1
336 1 83 GLN HE21 1 83 GLN HG2 . . 3.380 2.843 2.267 3.363 . 0 0 "[ . 1 . 2]" 1
337 1 83 GLN HE22 1 83 GLN HG3 . . 4.010 3.532 3.438 3.760 . 0 0 "[ . 1 . 2]" 1
338 1 83 GLN HE22 1 83 GLN HG2 . . 4.010 3.749 3.495 3.999 . 0 0 "[ . 1 . 2]" 1
339 1 79 ARG HD3 1 83 GLN HE22 . . 5.380 4.057 2.586 5.383 0.003 3 0 "[ . 1 . 2]" 1
340 1 61 ARG H 1 61 ARG HB2 . . 3.020 2.467 2.371 2.691 . 0 0 "[ . 1 . 2]" 1
341 1 61 ARG H 1 61 ARG HB3 . . 3.870 3.585 2.921 3.688 . 0 0 "[ . 1 . 2]" 1
342 1 56 LEU HB2 1 61 ARG H . . 4.530 4.328 4.099 4.577 0.047 11 0 "[ . 1 . 2]" 1
343 1 59 GLY HA3 1 61 ARG H . . 4.440 4.023 3.814 4.186 . 0 0 "[ . 1 . 2]" 1
344 1 60 GLY HA3 1 61 ARG H . . 3.530 3.470 3.344 3.520 . 0 0 "[ . 1 . 2]" 1
345 1 60 GLY HA2 1 61 ARG H . . 3.530 2.994 2.886 3.204 . 0 0 "[ . 1 . 2]" 1
346 1 57 ASN HA 1 61 ARG H . . 3.720 3.323 2.984 3.622 . 0 0 "[ . 1 . 2]" 1
347 1 71 ILE MG 1 72 ARG H . . 2.800 2.397 1.935 2.763 . 0 0 "[ . 1 . 2]" 1
348 1 72 ARG H 1 72 ARG HB2 . . 2.910 2.659 2.582 2.738 . 0 0 "[ . 1 . 2]" 1
349 1 71 ILE HB 1 72 ARG H . . 4.270 4.134 3.907 4.243 . 0 0 "[ . 1 . 2]" 1
350 1 19 VAL HB 1 72 ARG H . . 4.930 4.483 3.937 4.867 . 0 0 "[ . 1 . 2]" 1
351 1 71 ILE HG13 1 72 ARG H . . 5.110 4.985 4.875 5.079 . 0 0 "[ . 1 . 2]" 1
352 1 21 CYS HB2 1 72 ARG H . . 4.720 4.433 3.835 4.722 0.002 5 0 "[ . 1 . 2]" 1
353 1 19 VAL MG1 1 72 ARG H . . 5.500 5.094 4.719 5.336 . 0 0 "[ . 1 . 2]" 1
354 1 21 CYS HA 1 72 ARG H . . 4.030 3.628 3.293 3.884 . 0 0 "[ . 1 . 2]" 1
355 1 71 ILE HA 1 72 ARG H . . 2.400 2.164 2.143 2.219 . 0 0 "[ . 1 . 2]" 1
356 1 19 VAL HA 1 72 ARG H . . 4.820 4.557 4.351 4.817 . 0 0 "[ . 1 . 2]" 1
357 1 71 ILE H 1 72 ARG H . . 4.630 4.532 4.490 4.597 . 0 0 "[ . 1 . 2]" 1
358 1 72 ARG H 1 73 CYS H . . 4.480 4.429 4.358 4.489 0.009 7 0 "[ . 1 . 2]" 1
359 1 68 LYS HG3 1 79 ARG H . . 5.500 5.411 5.120 5.524 0.024 5 0 "[ . 1 . 2]" 1
360 1 68 LYS HG2 1 79 ARG H . . 4.590 4.368 4.172 4.489 . 0 0 "[ . 1 . 2]" 1
361 1 68 LYS HB3 1 79 ARG H . . 2.920 2.483 2.130 2.666 . 0 0 "[ . 1 . 2]" 1
362 1 79 ARG H 1 79 ARG HB2 . . 2.690 2.573 2.390 2.680 . 0 0 "[ . 1 . 2]" 1
363 1 79 ARG H 1 79 ARG HB3 . . 2.770 2.477 2.372 2.665 . 0 0 "[ . 1 . 2]" 1
364 1 78 LEU HB2 1 79 ARG H . . 3.090 2.490 2.354 2.646 . 0 0 "[ . 1 . 2]" 1
365 1 68 LYS HA 1 79 ARG H . . 4.090 3.963 3.837 4.061 . 0 0 "[ . 1 . 2]" 1
366 1 79 ARG H 1 79 ARG HA . . 2.810 2.774 2.747 2.800 . 0 0 "[ . 1 . 2]" 1
367 1 78 LEU HA 1 79 ARG H . . 3.560 3.548 3.528 3.561 0.001 15 0 "[ . 1 . 2]" 1
368 1 79 ARG H 1 80 HIS HA . . 5.410 5.373 5.319 5.424 0.014 13 0 "[ . 1 . 2]" 1
369 1 77 THR HA 1 79 ARG H . . 4.400 4.234 3.991 4.403 0.003 16 0 "[ . 1 . 2]" 1
370 1 77 THR HB 1 79 ARG H . . 3.120 2.951 2.831 3.103 . 0 0 "[ . 1 . 2]" 1
371 1 79 ARG H 1 79 ARG HE . . 5.500 4.990 4.372 5.409 . 0 0 "[ . 1 . 2]" 1
372 1 79 ARG H 1 82 GLU H . . 4.930 4.813 4.653 4.937 0.007 6 0 "[ . 1 . 2]" 1
373 1 79 ARG H 1 80 HIS H . . 3.520 2.794 2.726 2.861 . 0 0 "[ . 1 . 2]" 1
374 1 16 THR H 1 27 THR MG . . 4.980 4.857 4.745 4.953 . 0 0 "[ . 1 . 2]" 1
375 1 16 THR H 1 17 LEU MD2 . . 4.330 3.874 3.715 4.075 . 0 0 "[ . 1 . 2]" 1
376 1 16 THR H 1 17 LEU HG . . 4.430 4.285 4.079 4.384 . 0 0 "[ . 1 . 2]" 1
377 1 15 PRO QG 1 16 THR H . . 3.410 3.276 3.167 3.347 . 0 0 "[ . 1 . 2]" 1
378 1 16 THR H 1 16 THR HB . . 3.880 3.801 3.742 3.861 . 0 0 "[ . 1 . 2]" 1
379 1 15 PRO HD2 1 16 THR H . . 3.140 3.031 2.951 3.086 . 0 0 "[ . 1 . 2]" 1
380 1 14 SER H 1 16 THR H . . 5.240 4.201 3.427 5.090 . 0 0 "[ . 1 . 2]" 1
381 1 16 THR H 1 30 GLN H . . 5.500 5.014 4.848 5.211 . 0 0 "[ . 1 . 2]" 1
382 1 19 VAL MG2 1 20 THR H . . 3.780 3.635 3.480 3.769 . 0 0 "[ . 1 . 2]" 1
383 1 20 THR H 1 71 ILE MG . . 3.130 2.418 2.196 2.714 . 0 0 "[ . 1 . 2]" 1
384 1 20 THR H 1 72 ARG HB2 . . 4.530 4.171 3.906 4.531 0.001 5 0 "[ . 1 . 2]" 1
385 1 19 VAL HB 1 20 THR H . . 2.800 2.680 2.469 2.806 0.006 13 0 "[ . 1 . 2]" 1
386 1 20 THR H 1 21 CYS HB2 . . 5.500 4.783 4.622 4.880 . 0 0 "[ . 1 . 2]" 1
387 1 20 THR H 1 73 CYS HB2 . . 5.500 4.858 4.400 5.509 0.009 10 0 "[ . 1 . 2]" 1
388 1 20 THR H 1 71 ILE HB . . 5.500 5.251 5.013 5.513 0.013 19 0 "[ . 1 . 2]" 1
389 1 20 THR H 1 71 ILE HA . . 4.400 3.997 3.740 4.329 . 0 0 "[ . 1 . 2]" 1
390 1 20 THR H 1 73 CYS HA . . 4.090 3.811 3.516 4.048 . 0 0 "[ . 1 . 2]" 1
391 1 19 VAL HA 1 20 THR H . . 2.400 2.288 2.245 2.365 . 0 0 "[ . 1 . 2]" 1
392 1 20 THR H 1 55 PHE QE . . 4.080 3.503 3.343 3.724 . 0 0 "[ . 1 . 2]" 1
393 1 20 THR H 1 21 CYS H . . 4.270 4.209 4.171 4.267 . 0 0 "[ . 1 . 2]" 1
394 1 20 THR H 1 72 ARG H . . 3.150 2.789 2.604 3.135 . 0 0 "[ . 1 . 2]" 1
395 1 27 THR H 1 42 ILE MG . . 2.810 2.477 2.157 2.808 . 0 0 "[ . 1 . 2]" 1
396 1 19 VAL MG2 1 27 THR H . . 3.370 3.141 2.849 3.373 0.003 8 0 "[ . 1 . 2]" 1
397 1 27 THR H 1 27 THR MG . . 4.010 3.953 3.911 3.984 . 0 0 "[ . 1 . 2]" 1
398 1 26 GLY HA3 1 27 THR H . . 2.530 2.262 2.212 2.350 . 0 0 "[ . 1 . 2]" 1
399 1 27 THR H 1 27 THR HB . . 3.040 2.918 2.807 2.983 . 0 0 "[ . 1 . 2]" 1
400 1 26 GLY HA2 1 27 THR H . . 3.080 2.923 2.799 3.003 . 0 0 "[ . 1 . 2]" 1
401 1 27 THR H 1 44 ASN HA . . 4.140 3.937 3.725 4.099 . 0 0 "[ . 1 . 2]" 1
402 1 27 THR H 1 42 ILE HA . . 3.780 3.369 3.158 3.602 . 0 0 "[ . 1 . 2]" 1
403 1 51 THR H 1 51 THR MG . . 2.610 2.258 2.110 2.413 . 0 0 "[ . 1 . 2]" 1
404 1 40 LYS HD2 1 51 THR H . . 4.370 3.099 2.963 3.412 . 0 0 "[ . 1 . 2]" 1
405 1 40 LYS HG2 1 51 THR H . . 4.580 4.206 4.104 4.324 . 0 0 "[ . 1 . 2]" 1
406 1 40 LYS HD3 1 51 THR H . . 3.400 1.961 1.890 2.027 . 0 0 "[ . 1 . 2]" 1
407 1 50 LEU HB3 1 51 THR H . . 3.070 2.941 2.868 3.028 . 0 0 "[ . 1 . 2]" 1
408 1 51 THR H 1 54 GLU HB2 . . 3.180 2.054 1.871 2.214 . 0 0 "[ . 1 . 2]" 1
409 1 40 LYS QE 1 51 THR H . . 4.080 3.017 2.893 3.216 . 0 0 "[ . 1 . 2]" 1
410 1 40 LYS HA 1 51 THR H . . 3.780 3.500 3.346 3.607 . 0 0 "[ . 1 . 2]" 1
411 1 51 THR H 1 54 GLU HA . . 5.060 4.955 4.805 5.069 0.009 8 0 "[ . 1 . 2]" 1
412 1 51 THR H 1 51 THR HB . . 3.710 3.625 3.620 3.632 . 0 0 "[ . 1 . 2]" 1
413 1 50 LEU HA 1 51 THR H . . 2.420 2.218 2.196 2.239 . 0 0 "[ . 1 . 2]" 1
414 1 51 THR H 1 54 GLU H . . 3.710 3.585 3.465 3.677 . 0 0 "[ . 1 . 2]" 1
415 1 41 CYS H 1 51 THR H . . 5.040 4.950 4.842 5.037 . 0 0 "[ . 1 . 2]" 1
416 1 50 LEU H 1 51 THR H . . 4.390 4.348 4.324 4.391 0.001 12 0 "[ . 1 . 2]" 1
417 1 63 THR H 1 63 THR MG . . 3.750 2.207 1.988 2.420 . 0 0 "[ . 1 . 2]" 1
418 1 62 ALA MB 1 63 THR H . . 3.260 2.596 2.385 2.877 . 0 0 "[ . 1 . 2]" 1
419 1 62 ALA HA 1 63 THR H . . 3.560 3.532 3.471 3.557 . 0 0 "[ . 1 . 2]" 1
420 1 63 THR H 1 63 THR HB . . 3.710 3.006 2.526 3.642 . 0 0 "[ . 1 . 2]" 1
421 1 62 ALA H 1 63 THR H . . 3.280 2.756 2.056 2.999 . 0 0 "[ . 1 . 2]" 1
422 1 72 ARG HG2 1 77 THR H . . 4.730 4.248 4.028 4.526 . 0 0 "[ . 1 . 2]" 1
423 1 76 GLU HB3 1 77 THR H . . 3.360 3.146 2.273 3.373 0.013 7 0 "[ . 1 . 2]" 1
424 1 77 THR H 1 80 HIS HB2 . . 3.630 3.427 3.118 3.597 . 0 0 "[ . 1 . 2]" 1
425 1 76 GLU HA 1 77 THR H . . 2.560 2.207 2.142 2.472 . 0 0 "[ . 1 . 2]" 1
426 1 77 THR H 1 77 THR HB . . 3.690 3.620 3.611 3.649 . 0 0 "[ . 1 . 2]" 1
427 1 72 ARG HA 1 77 THR H . . 4.980 4.322 4.129 4.949 . 0 0 "[ . 1 . 2]" 1
428 1 76 GLU H 1 77 THR H . . 4.510 4.382 4.304 4.496 . 0 0 "[ . 1 . 2]" 1
429 1 77 THR H 1 80 HIS H . . 4.290 4.201 3.964 4.304 0.014 13 0 "[ . 1 . 2]" 1
430 1 73 CYS H 1 77 THR H . . 5.500 4.544 4.192 5.492 . 0 0 "[ . 1 . 2]" 1
431 1 11 VAL H 1 11 VAL MG2 . . 3.850 2.617 1.954 3.785 . 0 0 "[ . 1 . 2]" 1
432 1 11 VAL H 1 11 VAL HB . . 3.690 2.984 2.495 3.637 . 0 0 "[ . 1 . 2]" 1
433 1 11 VAL H 1 12 ASP H . . 3.000 2.571 2.037 2.861 . 0 0 "[ . 1 . 2]" 1
434 1 19 VAL H 1 19 VAL MG2 . . 2.510 2.047 1.907 2.220 . 0 0 "[ . 1 . 2]" 1
435 1 19 VAL H 1 19 VAL MG1 . . 3.110 2.832 2.688 2.933 . 0 0 "[ . 1 . 2]" 1
436 1 19 VAL H 1 20 THR MG . . 4.140 3.938 3.761 4.094 . 0 0 "[ . 1 . 2]" 1
437 1 19 VAL H 1 28 LEU HB3 . . 5.410 5.226 5.000 5.400 . 0 0 "[ . 1 . 2]" 1
438 1 18 PRO HG2 1 19 VAL H . . 5.040 5.027 5.006 5.042 0.002 10 0 "[ . 1 . 2]" 1
439 1 19 VAL H 1 27 THR HA . . 3.090 2.556 2.316 2.716 . 0 0 "[ . 1 . 2]" 1
440 1 18 PRO HA 1 19 VAL H . . 2.400 2.161 2.152 2.175 . 0 0 "[ . 1 . 2]" 1
441 1 19 VAL H 1 25 LYS HA . . 5.500 5.369 5.190 5.501 0.001 10 0 "[ . 1 . 2]" 1
442 1 19 VAL H 1 26 GLY H . . 3.730 3.630 3.379 3.717 . 0 0 "[ . 1 . 2]" 1
443 1 19 VAL H 1 20 THR H . . 4.520 4.481 4.439 4.514 . 0 0 "[ . 1 . 2]" 1
444 1 52 VAL H 1 52 VAL MG2 . . 3.780 1.938 1.853 2.222 . 0 0 "[ . 1 . 2]" 1
445 1 42 ILE HG13 1 52 VAL H . . 5.410 4.592 4.230 4.849 . 0 0 "[ . 1 . 2]" 1
446 1 52 VAL H 1 53 LYS QB . . 5.500 4.771 4.650 4.915 . 0 0 "[ . 1 . 2]" 1
447 1 41 CYS HG 1 52 VAL H . . 3.560 3.546 3.469 3.594 0.034 18 0 "[ . 1 . 2]" 1
448 1 40 LYS HA 1 52 VAL H . . 4.760 4.187 4.011 4.332 . 0 0 "[ . 1 . 2]" 1
449 1 51 THR HB 1 52 VAL H . . 2.920 2.832 2.714 2.897 . 0 0 "[ . 1 . 2]" 1
450 1 52 VAL H 1 53 LYS H . . 3.120 2.945 2.889 3.006 . 0 0 "[ . 1 . 2]" 1
451 1 51 THR H 1 52 VAL H . . 4.630 4.619 4.610 4.626 . 0 0 "[ . 1 . 2]" 1
452 1 70 VAL H 1 70 VAL MG1 . . 3.520 2.229 2.148 2.350 . 0 0 "[ . 1 . 2]" 1
453 1 70 VAL H 1 71 ILE MD . . 5.210 5.168 4.948 5.230 0.020 15 0 "[ . 1 . 2]" 1
454 1 70 VAL H 1 71 ILE HB . . 5.140 4.870 4.771 4.941 . 0 0 "[ . 1 . 2]" 1
455 1 70 VAL H 1 71 ILE HG13 . . 4.350 4.277 4.128 4.353 0.003 16 0 "[ . 1 . 2]" 1
456 1 68 LYS HA 1 70 VAL H . . 4.750 4.748 4.695 4.776 0.026 9 0 "[ . 1 . 2]" 1
457 1 69 GLY HA3 1 70 VAL H . . 3.060 2.772 2.740 2.814 . 0 0 "[ . 1 . 2]" 1
458 1 69 GLY HA2 1 70 VAL H . . 3.550 3.550 3.541 3.557 0.007 12 0 "[ . 1 . 2]" 1
459 1 67 TRP HA 1 70 VAL H . . 3.370 3.297 3.190 3.356 . 0 0 "[ . 1 . 2]" 1
460 1 70 VAL H 1 70 VAL HA . . 2.870 2.839 2.835 2.851 . 0 0 "[ . 1 . 2]" 1
461 1 70 VAL H 1 71 ILE HA . . 5.500 5.228 5.161 5.261 . 0 0 "[ . 1 . 2]" 1
462 1 67 TRP H 1 70 VAL H . . 5.090 4.995 4.888 5.067 . 0 0 "[ . 1 . 2]" 1
463 1 49 TRP H 1 49 TRP HB2 . . 2.550 2.503 2.454 2.553 0.003 2 0 "[ . 1 . 2]" 1
464 1 48 ASP HA 1 49 TRP H . . 2.400 2.151 2.138 2.220 . 0 0 "[ . 1 . 2]" 1
465 1 49 TRP H 1 49 TRP HE3 . . 5.500 5.328 5.203 5.468 . 0 0 "[ . 1 . 2]" 1
466 1 48 ASP H 1 49 TRP H . . 4.610 4.483 4.407 4.613 0.003 7 0 "[ . 1 . 2]" 1
467 1 43 GLN HG3 1 49 TRP HE1 . . 4.060 3.709 3.299 3.925 . 0 0 "[ . 1 . 2]" 1
468 1 49 TRP HB2 1 49 TRP HE1 . . 4.820 4.815 4.805 4.825 0.005 15 0 "[ . 1 . 2]" 1
469 1 43 GLN HE21 1 49 TRP HE1 . . 3.230 2.389 2.195 2.637 . 0 0 "[ . 1 . 2]" 1
470 1 43 GLN HE22 1 49 TRP HE1 . . 3.670 3.226 2.951 3.554 . 0 0 "[ . 1 . 2]" 1
471 1 49 TRP H 1 49 TRP HE1 . . 4.750 4.453 4.274 4.759 0.009 12 0 "[ . 1 . 2]" 1
472 1 56 LEU MD2 1 67 TRP H . . 5.240 4.875 4.688 5.055 . 0 0 "[ . 1 . 2]" 1
473 1 56 LEU MD1 1 67 TRP H . . 5.240 4.077 3.773 4.293 . 0 0 "[ . 1 . 2]" 1
474 1 67 TRP H 1 70 VAL MG2 . . 5.110 4.194 4.065 4.333 . 0 0 "[ . 1 . 2]" 1
475 1 67 TRP H 1 68 LYS HB2 . . 5.410 4.580 4.322 4.751 . 0 0 "[ . 1 . 2]" 1
476 1 67 TRP H 1 71 ILE MD . . 5.500 5.122 4.972 5.295 . 0 0 "[ . 1 . 2]" 1
477 1 66 ASP HB3 1 67 TRP H . . 4.500 3.852 3.537 4.420 . 0 0 "[ . 1 . 2]" 1
478 1 66 ASP HB2 1 67 TRP H . . 4.500 4.304 3.712 4.466 . 0 0 "[ . 1 . 2]" 1
479 1 67 TRP H 1 67 TRP HB3 . . 2.880 2.759 2.640 2.876 . 0 0 "[ . 1 . 2]" 1
480 1 67 TRP H 1 67 TRP HB2 . . 3.640 3.601 3.583 3.636 . 0 0 "[ . 1 . 2]" 1
481 1 67 TRP H 1 67 TRP HA . . 2.910 2.874 2.834 2.916 0.006 11 0 "[ . 1 . 2]" 1
482 1 66 ASP HA 1 67 TRP H . . 2.490 2.145 2.139 2.157 . 0 0 "[ . 1 . 2]" 1
483 1 66 ASP H 1 67 TRP H . . 4.500 4.376 4.258 4.459 . 0 0 "[ . 1 . 2]" 1
484 1 67 TRP H 1 68 LYS HG3 . . 4.400 4.075 3.791 4.248 . 0 0 "[ . 1 . 2]" 1
485 1 37 ALA MB 1 67 TRP HE1 . . 3.530 3.348 3.011 3.532 0.002 5 0 "[ . 1 . 2]" 1
486 1 67 TRP H 1 67 TRP HE1 . . 4.340 4.048 3.939 4.154 . 0 0 "[ . 1 . 2]" 1
487 1 6 SER HA 1 7 GLY H . . 3.550 2.435 2.143 3.548 . 0 0 "[ . 1 . 2]" 1
488 1 21 CYS HG 1 22 GLY H . . 3.940 3.348 3.056 3.765 . 0 0 "[ . 1 . 2]" 1
489 1 21 CYS HB3 1 22 GLY H . . 4.410 4.369 4.283 4.407 . 0 0 "[ . 1 . 2]" 1
490 1 21 CYS HB2 1 22 GLY H . . 4.550 4.479 4.425 4.533 . 0 0 "[ . 1 . 2]" 1
491 1 22 GLY H 1 22 GLY HA2 . . 2.640 2.295 2.294 2.297 . 0 0 "[ . 1 . 2]" 1
492 1 22 GLY H 1 22 GLY HA3 . . 2.940 2.792 2.775 2.820 . 0 0 "[ . 1 . 2]" 1
493 1 21 CYS HA 1 22 GLY H . . 2.570 2.167 2.146 2.181 . 0 0 "[ . 1 . 2]" 1
494 1 21 CYS H 1 22 GLY H . . 4.130 4.041 3.967 4.117 . 0 0 "[ . 1 . 2]" 1
495 1 26 GLY H 1 42 ILE MG . . 4.400 4.027 3.690 4.190 . 0 0 "[ . 1 . 2]" 1
496 1 19 VAL MG2 1 26 GLY H . . 3.090 2.760 2.365 2.965 . 0 0 "[ . 1 . 2]" 1
497 1 19 VAL MG1 1 26 GLY H . . 5.500 5.191 4.834 5.337 . 0 0 "[ . 1 . 2]" 1
498 1 24 ALA MB 1 26 GLY H . . 5.410 5.068 4.917 5.341 . 0 0 "[ . 1 . 2]" 1
499 1 20 THR MG 1 26 GLY H . . 3.560 3.228 2.773 3.498 . 0 0 "[ . 1 . 2]" 1
500 1 25 LYS HG2 1 26 GLY H . . 5.230 4.503 4.308 5.168 . 0 0 "[ . 1 . 2]" 1
501 1 25 LYS HG3 1 26 GLY H . . 5.230 4.925 3.614 5.224 . 0 0 "[ . 1 . 2]" 1
502 1 19 VAL HB 1 26 GLY H . . 5.410 4.914 4.513 5.101 . 0 0 "[ . 1 . 2]" 1
503 1 26 GLY H 1 26 GLY HA3 . . 2.860 2.705 2.675 2.750 . 0 0 "[ . 1 . 2]" 1
504 1 26 GLY H 1 26 GLY HA2 . . 2.910 2.890 2.859 2.907 . 0 0 "[ . 1 . 2]" 1
505 1 18 PRO HA 1 26 GLY H . . 5.500 5.179 5.028 5.302 . 0 0 "[ . 1 . 2]" 1
506 1 26 GLY H 1 44 ASN HA . . 5.500 4.520 3.989 5.008 . 0 0 "[ . 1 . 2]" 1
507 1 25 LYS HA 1 26 GLY H . . 2.400 2.193 2.166 2.297 . 0 0 "[ . 1 . 2]" 1
508 1 20 THR HA 1 26 GLY H . . 3.570 3.298 3.160 3.463 . 0 0 "[ . 1 . 2]" 1
509 1 19 VAL HA 1 26 GLY H . . 5.320 5.130 4.867 5.291 . 0 0 "[ . 1 . 2]" 1
510 1 26 GLY H 1 55 PHE HZ . . 3.370 2.746 2.353 2.928 . 0 0 "[ . 1 . 2]" 1
511 1 36 GLY H 1 37 ALA MB . . 5.500 5.239 5.096 5.376 . 0 0 "[ . 1 . 2]" 1
512 1 36 GLY H 1 39 LYS QD . . 5.500 4.630 2.540 5.505 0.005 13 0 "[ . 1 . 2]" 1
513 1 33 LEU HG 1 36 GLY H . . 5.500 4.953 4.528 5.330 . 0 0 "[ . 1 . 2]" 1
514 1 34 LYS QB 1 36 GLY H . . 5.500 4.927 4.625 5.333 . 0 0 "[ . 1 . 2]" 1
515 1 35 GLN HB2 1 36 GLY H . . 3.310 2.413 2.171 2.637 . 0 0 "[ . 1 . 2]" 1
516 1 35 GLN HB3 1 36 GLY H . . 3.670 3.533 3.210 3.689 0.019 6 0 "[ . 1 . 2]" 1
517 1 35 GLN HG3 1 36 GLY H . . 4.980 4.293 3.895 4.986 0.006 10 0 "[ . 1 . 2]" 1
518 1 35 GLN HG2 1 36 GLY H . . 4.980 4.661 3.983 4.988 0.008 12 0 "[ . 1 . 2]" 1
519 1 36 GLY H 1 36 GLY HA2 . . 2.840 2.776 2.715 2.820 . 0 0 "[ . 1 . 2]" 1
520 1 36 GLY H 1 36 GLY HA3 . . 2.920 2.837 2.799 2.883 . 0 0 "[ . 1 . 2]" 1
521 1 43 GLN HG3 1 47 GLY H . . 5.040 4.808 4.611 4.959 . 0 0 "[ . 1 . 2]" 1
522 1 43 GLN HG2 1 47 GLY H . . 3.690 3.337 3.248 3.406 . 0 0 "[ . 1 . 2]" 1
523 1 43 GLN HB3 1 47 GLY H . . 5.500 5.314 5.159 5.463 . 0 0 "[ . 1 . 2]" 1
524 1 45 GLU QB 1 47 GLY H . . 4.800 4.456 4.296 4.736 . 0 0 "[ . 1 . 2]" 1
525 1 44 ASN HB3 1 47 GLY H . . 5.180 4.954 4.799 5.184 0.004 12 0 "[ . 1 . 2]" 1
526 1 47 GLY H 1 47 GLY HA2 . . 2.510 2.342 2.312 2.395 . 0 0 "[ . 1 . 2]" 1
527 1 47 GLY H 1 48 ASP HA . . 5.340 5.244 5.110 5.323 . 0 0 "[ . 1 . 2]" 1
528 1 43 GLN HA 1 47 GLY H . . 5.500 5.218 5.073 5.389 . 0 0 "[ . 1 . 2]" 1
529 1 44 ASN HA 1 47 GLY H . . 5.500 4.595 4.484 4.773 . 0 0 "[ . 1 . 2]" 1
530 1 43 GLN HE21 1 47 GLY H . . 5.500 5.437 5.342 5.500 . 0 0 "[ . 1 . 2]" 1
531 1 46 ALA H 1 47 GLY H . . 2.670 2.529 2.412 2.630 . 0 0 "[ . 1 . 2]" 1
532 1 47 GLY H 1 48 ASP H . . 2.880 2.757 2.616 2.846 . 0 0 "[ . 1 . 2]" 1
533 1 45 GLU H 1 47 GLY H . . 4.190 4.085 4.049 4.133 . 0 0 "[ . 1 . 2]" 1
534 1 44 ASN H 1 47 GLY H . . 4.300 3.962 3.751 4.304 0.004 7 0 "[ . 1 . 2]" 1
535 1 24 ALA MB 1 59 GLY H . . 3.240 2.938 2.407 3.212 . 0 0 "[ . 1 . 2]" 1
536 1 23 LYS QG 1 59 GLY H . . 5.500 4.883 4.348 5.508 0.008 13 0 "[ . 1 . 2]" 1
537 1 56 LEU HB3 1 59 GLY H . . 5.500 5.104 4.989 5.221 . 0 0 "[ . 1 . 2]" 1
538 1 59 GLY H 1 61 ARG HB2 . . 5.500 5.043 4.879 5.394 . 0 0 "[ . 1 . 2]" 1
539 1 21 CYS HB3 1 59 GLY H . . 4.390 4.152 3.936 4.389 . 0 0 "[ . 1 . 2]" 1
540 1 58 GLU HB3 1 59 GLY H . . 3.420 3.380 3.254 3.468 0.048 11 0 "[ . 1 . 2]" 1
541 1 58 GLU HB2 1 59 GLY H . . 3.230 2.908 2.789 3.030 . 0 0 "[ . 1 . 2]" 1
542 1 58 GLU HG3 1 59 GLY H . . 5.370 5.101 4.808 5.310 . 0 0 "[ . 1 . 2]" 1
543 1 58 GLU HG2 1 59 GLY H . . 5.370 4.873 4.762 5.255 . 0 0 "[ . 1 . 2]" 1
544 1 57 ASN HB2 1 59 GLY H . . 5.500 5.303 5.022 5.547 0.047 8 0 "[ . 1 . 2]" 1
545 1 57 ASN HB3 1 59 GLY H . . 5.500 5.188 4.878 5.408 . 0 0 "[ . 1 . 2]" 1
546 1 59 GLY H 1 59 GLY HA3 . . 2.470 2.337 2.308 2.360 . 0 0 "[ . 1 . 2]" 1
547 1 59 GLY H 1 59 GLY HA2 . . 2.930 2.905 2.867 2.924 . 0 0 "[ . 1 . 2]" 1
548 1 57 ASN HA 1 59 GLY H . . 4.500 4.130 4.011 4.307 . 0 0 "[ . 1 . 2]" 1
549 1 58 GLU H 1 59 GLY H . . 2.840 2.746 2.612 2.792 . 0 0 "[ . 1 . 2]" 1
550 1 59 GLY H 1 61 ARG H . . 4.070 3.786 3.578 3.907 . 0 0 "[ . 1 . 2]" 1
551 1 24 ALA MB 1 60 GLY H . . 4.930 4.756 4.363 4.937 0.007 20 0 "[ . 1 . 2]" 1
552 1 56 LEU HB3 1 60 GLY H . . 5.190 4.782 4.636 5.067 . 0 0 "[ . 1 . 2]" 1
553 1 60 GLY H 1 62 ALA MB . . 5.500 4.673 4.380 5.177 . 0 0 "[ . 1 . 2]" 1
554 1 60 GLY H 1 61 ARG HB3 . . 5.410 5.385 4.660 5.457 0.047 4 0 "[ . 1 . 2]" 1
555 1 57 ASN HB2 1 60 GLY H . . 5.500 5.523 5.507 5.581 0.081 14 0 "[ . 1 . 2]" 1
556 1 57 ASN HB3 1 60 GLY H . . 5.500 5.241 5.133 5.331 . 0 0 "[ . 1 . 2]" 1
557 1 59 GLY HA3 1 60 GLY H . . 3.210 2.881 2.849 2.926 . 0 0 "[ . 1 . 2]" 1
558 1 57 ASN HA 1 60 GLY H . . 3.780 3.201 3.135 3.393 . 0 0 "[ . 1 . 2]" 1
559 1 59 GLY H 1 60 GLY H . . 2.740 2.371 2.274 2.508 . 0 0 "[ . 1 . 2]" 1
560 1 58 GLU H 1 60 GLY H . . 4.740 4.127 4.073 4.192 . 0 0 "[ . 1 . 2]" 1
561 1 60 GLY H 1 62 ALA H . . 5.210 3.906 3.507 5.315 0.105 14 0 "[ . 1 . 2]" 1
562 1 60 GLY H 1 61 ARG H . . 2.480 1.937 1.777 2.018 . 0 0 "[ . 1 . 2]" 1
563 1 68 LYS HG3 1 69 GLY H . . 4.810 4.501 4.395 4.603 . 0 0 "[ . 1 . 2]" 1
564 1 69 GLY H 1 70 VAL MG2 . . 4.210 3.515 3.390 3.731 . 0 0 "[ . 1 . 2]" 1
565 1 69 GLY H 1 70 VAL MG1 . . 4.720 4.055 3.955 4.136 . 0 0 "[ . 1 . 2]" 1
566 1 68 LYS HB2 1 69 GLY H . . 3.690 3.048 2.948 3.195 . 0 0 "[ . 1 . 2]" 1
567 1 69 GLY H 1 79 ARG HB2 . . 5.210 5.061 4.792 5.192 . 0 0 "[ . 1 . 2]" 1
568 1 67 TRP HB2 1 69 GLY H . . 5.410 5.259 5.048 5.361 . 0 0 "[ . 1 . 2]" 1
569 1 69 GLY H 1 69 GLY HA3 . . 2.510 2.335 2.318 2.355 . 0 0 "[ . 1 . 2]" 1
570 1 67 TRP HA 1 69 GLY H . . 3.930 3.799 3.611 3.914 . 0 0 "[ . 1 . 2]" 1
571 1 66 ASP HA 1 69 GLY H . . 4.850 4.343 4.221 4.467 . 0 0 "[ . 1 . 2]" 1
572 1 69 GLY H 1 70 VAL H . . 2.570 2.434 2.335 2.536 . 0 0 "[ . 1 . 2]" 1
573 1 67 TRP H 1 69 GLY H . . 4.110 3.991 3.843 4.102 . 0 0 "[ . 1 . 2]" 1
574 1 69 GLY H 1 79 ARG H . . 5.280 5.238 5.001 5.299 0.019 20 0 "[ . 1 . 2]" 1
575 1 72 ARG HB3 1 75 GLY H . . 3.580 3.263 2.494 3.596 0.016 5 0 "[ . 1 . 2]" 1
576 1 72 ARG HB2 1 75 GLY H . . 4.240 4.010 3.778 4.152 . 0 0 "[ . 1 . 2]" 1
577 1 74 ASN HB3 1 75 GLY H . . 4.500 4.398 4.237 4.507 0.007 11 0 "[ . 1 . 2]" 1
578 1 75 GLY H 1 75 GLY HA2 . . 2.530 2.373 2.334 2.513 . 0 0 "[ . 1 . 2]" 1
579 1 74 ASN HA 1 75 GLY H . . 3.070 2.936 2.890 3.072 0.002 19 0 "[ . 1 . 2]" 1
580 1 73 CYS HA 1 75 GLY H . . 4.430 3.932 3.766 4.419 . 0 0 "[ . 1 . 2]" 1
581 1 73 CYS H 1 75 GLY H . . 4.100 3.806 3.178 4.079 . 0 0 "[ . 1 . 2]" 1
582 1 74 ASN H 1 75 GLY H . . 3.030 2.554 2.324 2.636 . 0 0 "[ . 1 . 2]" 1
583 1 85 GLY H 1 86 LEU MD1 . . 5.430 4.953 4.730 5.051 . 0 0 "[ . 1 . 2]" 1
584 1 85 GLY H 1 86 LEU MD2 . . 5.500 5.007 4.910 5.216 . 0 0 "[ . 1 . 2]" 1
585 1 85 GLY H 1 86 LEU HG . . 3.990 3.980 3.853 4.009 0.019 19 0 "[ . 1 . 2]" 1
586 1 84 LYS QD 1 85 GLY H . . 5.500 5.391 5.101 5.466 . 0 0 "[ . 1 . 2]" 1
587 1 84 LYS HB2 1 85 GLY H . . 3.880 3.781 3.512 3.849 . 0 0 "[ . 1 . 2]" 1
588 1 84 LYS HB3 1 85 GLY H . . 4.370 4.317 4.096 4.388 0.018 19 0 "[ . 1 . 2]" 1
589 1 83 GLN HB3 1 85 GLY H . . 5.060 4.895 4.803 4.989 . 0 0 "[ . 1 . 2]" 1
590 1 83 GLN HB2 1 85 GLY H . . 4.810 4.763 4.681 4.802 . 0 0 "[ . 1 . 2]" 1
591 1 85 GLY H 1 85 GLY HA2 . . 2.480 2.298 2.295 2.322 . 0 0 "[ . 1 . 2]" 1
592 1 85 GLY H 1 85 GLY HA3 . . 2.910 2.822 2.804 2.889 . 0 0 "[ . 1 . 2]" 1
593 1 84 LYS HA 1 85 GLY H . . 3.330 3.153 3.114 3.302 . 0 0 "[ . 1 . 2]" 1
594 1 85 GLY H 1 86 LEU HA . . 5.330 5.256 5.082 5.298 . 0 0 "[ . 1 . 2]" 1
595 1 85 GLY H 1 87 LEU H . . 4.240 4.195 4.084 4.236 . 0 0 "[ . 1 . 2]" 1
596 1 83 GLN H 1 85 GLY H . . 4.170 4.030 3.865 4.085 . 0 0 "[ . 1 . 2]" 1
597 1 37 ALA MB 1 38 SER H . . 3.530 3.210 2.644 3.522 . 0 0 "[ . 1 . 2]" 1
598 1 36 GLY HA2 1 38 SER H . . 4.000 3.815 3.631 3.896 . 0 0 "[ . 1 . 2]" 1
599 1 38 SER H 1 38 SER HB3 . . 3.720 3.064 2.367 3.653 . 0 0 "[ . 1 . 2]" 1
600 1 38 SER H 1 38 SER HB2 . . 3.720 2.863 2.346 3.713 . 0 0 "[ . 1 . 2]" 1
601 1 63 THR HB 1 64 SER H . . 4.500 3.935 3.434 4.458 . 0 0 "[ . 1 . 2]" 1
602 1 64 SER H 1 70 VAL MG1 . . 5.460 4.190 3.863 5.012 . 0 0 "[ . 1 . 2]" 1
603 1 63 THR MG 1 64 SER H . . 4.290 2.879 1.877 4.256 . 0 0 "[ . 1 . 2]" 1
604 1 64 SER H 1 64 SER HB3 . . 3.570 2.968 2.239 3.561 . 0 0 "[ . 1 . 2]" 1
605 1 64 SER H 1 64 SER HB2 . . 3.570 2.612 2.189 3.590 0.020 14 0 "[ . 1 . 2]" 1
606 1 61 ARG HB3 1 64 SER H . . 4.340 3.655 3.251 4.285 . 0 0 "[ . 1 . 2]" 1
607 1 62 ALA MB 1 64 SER H . . 4.820 4.414 4.135 4.662 . 0 0 "[ . 1 . 2]" 1
608 1 87 LEU HG 1 89 SER H . . 4.330 2.484 1.897 3.885 . 0 0 "[ . 1 . 2]" 1
609 1 88 PHE HB3 1 89 SER H . . 3.760 3.719 3.689 3.745 . 0 0 "[ . 1 . 2]" 1
610 1 88 PHE HB2 1 89 SER H . . 4.060 4.029 3.967 4.072 0.012 19 0 "[ . 1 . 2]" 1
611 1 89 SER H 1 89 SER HB3 . . 4.090 3.546 2.969 4.065 . 0 0 "[ . 1 . 2]" 1
612 1 89 SER H 1 89 SER HB2 . . 4.090 3.390 2.939 3.990 . 0 0 "[ . 1 . 2]" 1
613 1 89 SER H 1 89 SER HA . . 2.900 2.280 2.279 2.283 . 0 0 "[ . 1 . 2]" 1
614 1 88 PHE QD 1 89 SER H . . 3.600 1.909 1.874 2.005 . 0 0 "[ . 1 . 2]" 1
615 1 88 PHE H 1 89 SER H . . 3.230 2.514 2.167 2.807 . 0 0 "[ . 1 . 2]" 1
616 1 91 PRO QG 1 92 SER H . . 5.480 3.930 1.915 4.748 . 0 0 "[ . 1 . 2]" 1
617 1 92 SER H 1 92 SER QB . . 3.470 2.567 2.209 3.165 . 0 0 "[ . 1 . 2]" 1
618 1 91 PRO QG 1 93 SER H . . 5.500 4.797 2.668 5.500 . 0 0 "[ . 1 . 2]" 1
619 1 92 SER QB 1 93 SER H . . 4.510 3.545 2.496 4.052 . 0 0 "[ . 1 . 2]" 1
620 1 92 SER H 1 93 SER H . . 4.470 3.609 2.126 4.452 . 0 0 "[ . 1 . 2]" 1
621 1 23 LYS H 1 24 ALA MB . . 3.780 3.655 3.503 3.764 . 0 0 "[ . 1 . 2]" 1
622 1 23 LYS H 1 23 LYS QG . . 2.800 2.066 1.878 2.319 . 0 0 "[ . 1 . 2]" 1
623 1 23 LYS H 1 23 LYS QD . . 4.360 3.644 2.114 4.233 . 0 0 "[ . 1 . 2]" 1
624 1 23 LYS H 1 59 GLY HA3 . . 3.600 2.749 2.185 3.328 . 0 0 "[ . 1 . 2]" 1
625 1 22 GLY HA2 1 23 LYS H . . 3.400 3.367 3.336 3.420 0.020 17 0 "[ . 1 . 2]" 1
626 1 23 LYS H 1 59 GLY HA2 . . 3.310 2.394 1.900 2.873 . 0 0 "[ . 1 . 2]" 1
627 1 22 GLY HA3 1 23 LYS H . . 2.400 2.159 2.147 2.190 . 0 0 "[ . 1 . 2]" 1
628 1 24 ALA MB 1 25 LYS H . . 2.950 2.848 2.629 2.956 0.006 12 0 "[ . 1 . 2]" 1
629 1 25 LYS H 1 25 LYS HB2 . . 3.940 2.945 2.689 3.971 0.031 2 0 "[ . 1 . 2]" 1
630 1 25 LYS H 1 45 GLU HG3 . . 5.500 4.951 4.032 5.503 0.003 7 0 "[ . 1 . 2]" 1
631 1 24 ALA HA 1 25 LYS H . . 2.400 2.248 2.201 2.318 . 0 0 "[ . 1 . 2]" 1
632 1 25 LYS H 1 55 PHE HZ . . 4.440 4.208 3.911 4.444 0.004 19 0 "[ . 1 . 2]" 1
633 1 25 LYS H 1 55 PHE QE . . 3.560 3.093 2.709 3.528 . 0 0 "[ . 1 . 2]" 1
634 1 39 LYS H 1 40 LYS H . . 4.630 4.600 4.552 4.632 0.002 10 0 "[ . 1 . 2]" 1
635 1 25 LYS H 1 26 GLY H . . 4.440 4.310 4.258 4.385 . 0 0 "[ . 1 . 2]" 1
636 1 32 LYS H 1 32 LYS HA . . 2.930 2.897 2.884 2.908 . 0 0 "[ . 1 . 2]" 1
637 1 31 GLU HA 1 32 LYS H . . 3.540 3.536 3.514 3.547 0.007 5 0 "[ . 1 . 2]" 1
638 1 29 PHE HB2 1 32 LYS H . . 3.430 2.901 2.790 3.040 . 0 0 "[ . 1 . 2]" 1
639 1 29 PHE HB3 1 32 LYS H . . 3.090 2.642 2.527 2.769 . 0 0 "[ . 1 . 2]" 1
640 1 31 GLU HG2 1 32 LYS H . . 4.640 2.819 1.898 3.360 . 0 0 "[ . 1 . 2]" 1
641 1 31 GLU HG3 1 32 LYS H . . 4.640 2.919 1.908 4.011 . 0 0 "[ . 1 . 2]" 1
642 1 32 LYS H 1 32 LYS HB2 . . 2.630 2.231 2.205 2.315 . 0 0 "[ . 1 . 2]" 1
643 1 32 LYS H 1 33 LEU HB2 . . 4.570 4.464 4.325 4.573 0.003 11 0 "[ . 1 . 2]" 1
644 1 32 LYS H 1 32 LYS HG3 . . 3.180 3.111 2.911 3.184 0.004 14 0 "[ . 1 . 2]" 1
645 1 32 LYS H 1 41 CYS HA . . 5.240 4.964 4.638 5.181 . 0 0 "[ . 1 . 2]" 1
646 1 30 GLN H 1 32 LYS H . . 4.460 4.386 4.251 4.454 . 0 0 "[ . 1 . 2]" 1
647 1 31 GLU H 1 32 LYS H . . 2.810 2.702 2.560 2.779 . 0 0 "[ . 1 . 2]" 1
648 1 32 LYS H 1 34 LYS H . . 4.320 4.167 4.018 4.322 0.002 19 0 "[ . 1 . 2]" 1
649 1 34 LYS H 1 34 LYS HA . . 2.820 2.759 2.719 2.796 . 0 0 "[ . 1 . 2]" 1
650 1 33 LEU HB3 1 34 LYS H . . 3.030 2.716 2.510 2.866 . 0 0 "[ . 1 . 2]" 1
651 1 34 LYS H 1 34 LYS QD . . 4.390 3.954 3.408 4.371 . 0 0 "[ . 1 . 2]" 1
652 1 34 LYS H 1 34 LYS HG2 . . 3.760 3.133 2.172 3.738 . 0 0 "[ . 1 . 2]" 1
653 1 34 LYS H 1 34 LYS HG3 . . 3.760 2.578 2.138 3.776 0.016 17 0 "[ . 1 . 2]" 1
654 1 33 LEU MD1 1 34 LYS H . . 4.930 4.631 4.487 4.779 . 0 0 "[ . 1 . 2]" 1
655 1 33 LEU MD2 1 34 LYS H . . 4.930 4.441 4.036 4.637 . 0 0 "[ . 1 . 2]" 1
656 1 39 LYS H 1 39 LYS HG3 . . 4.090 3.194 2.601 3.543 . 0 0 "[ . 1 . 2]" 1
657 1 39 LYS H 1 39 LYS QD . . 4.470 3.423 1.874 4.480 0.010 12 0 "[ . 1 . 2]" 1
658 1 36 GLY HA2 1 39 LYS H . . 5.000 4.750 4.383 5.000 0.000 15 0 "[ . 1 . 2]" 1
659 1 38 SER HB3 1 39 LYS H . . 4.290 3.569 2.740 4.129 . 0 0 "[ . 1 . 2]" 1
660 1 39 LYS H 1 39 LYS HA . . 2.920 2.860 2.808 2.922 0.002 15 0 "[ . 1 . 2]" 1
661 1 36 GLY HA3 1 39 LYS H . . 4.100 3.615 3.257 3.947 . 0 0 "[ . 1 . 2]" 1
662 1 38 SER H 1 39 LYS H . . 2.810 2.268 1.939 2.829 0.019 5 0 "[ . 1 . 2]" 1
663 1 40 LYS H 1 40 LYS HG3 . . 3.650 3.138 3.067 3.205 . 0 0 "[ . 1 . 2]" 1
664 1 40 LYS H 1 40 LYS HB2 . . 2.720 2.672 2.662 2.697 . 0 0 "[ . 1 . 2]" 1
665 1 25 LYS H 1 45 GLU HG2 . . 5.500 4.912 4.100 5.511 0.011 18 0 "[ . 1 . 2]" 1
666 1 40 LYS H 1 49 TRP HB3 . . 5.120 5.062 4.946 5.127 0.007 15 0 "[ . 1 . 2]" 1
667 1 40 LYS H 1 49 TRP HB2 . . 5.500 5.463 5.298 5.510 0.010 18 0 "[ . 1 . 2]" 1
668 1 39 LYS HA 1 40 LYS H . . 2.410 2.248 2.185 2.417 0.007 13 0 "[ . 1 . 2]" 1
669 1 40 LYS H 1 41 CYS H . . 4.420 4.338 4.311 4.364 . 0 0 "[ . 1 . 2]" 1
670 1 52 VAL MG2 1 53 LYS H . . 3.950 3.928 3.851 3.988 0.038 9 0 "[ . 1 . 2]" 1
671 1 51 THR MG 1 53 LYS H . . 4.560 4.266 4.195 4.379 . 0 0 "[ . 1 . 2]" 1
672 1 52 VAL HB 1 53 LYS H . . 3.330 2.878 2.703 3.008 . 0 0 "[ . 1 . 2]" 1
673 1 53 LYS H 1 53 LYS QB . . 2.400 2.258 2.189 2.316 . 0 0 "[ . 1 . 2]" 1
674 1 53 LYS H 1 54 GLU HB2 . . 5.040 4.294 4.189 4.454 . 0 0 "[ . 1 . 2]" 1
675 1 53 LYS H 1 54 GLU QG . . 5.500 4.805 4.486 5.554 0.054 11 0 "[ . 1 . 2]" 1
676 1 52 VAL HA 1 53 LYS H . . 3.560 3.488 3.457 3.522 . 0 0 "[ . 1 . 2]" 1
677 1 51 THR HB 1 53 LYS H . . 3.120 2.867 2.740 3.077 . 0 0 "[ . 1 . 2]" 1
678 1 51 THR HG1 1 53 LYS H . . 3.940 2.845 1.902 3.769 . 0 0 "[ . 1 . 2]" 1
679 1 51 THR HA 1 53 LYS H . . 4.370 3.956 3.882 4.088 . 0 0 "[ . 1 . 2]" 1
680 1 65 LYS H 1 65 LYS QB . . 3.370 2.413 2.227 2.874 . 0 0 "[ . 1 . 2]" 1
681 1 64 SER HA 1 65 LYS H . . 2.980 2.233 2.139 2.314 . 0 0 "[ . 1 . 2]" 1
682 1 64 SER H 1 65 LYS H . . 4.640 4.597 4.373 4.642 0.002 6 0 "[ . 1 . 2]" 1
683 1 68 LYS H 1 68 LYS HG3 . . 2.650 2.314 2.089 2.474 . 0 0 "[ . 1 . 2]" 1
684 1 68 LYS H 1 68 LYS HG2 . . 3.710 3.613 3.507 3.698 . 0 0 "[ . 1 . 2]" 1
685 1 68 LYS H 1 68 LYS HB3 . . 3.970 3.583 3.571 3.595 . 0 0 "[ . 1 . 2]" 1
686 1 68 LYS H 1 68 LYS HB2 . . 2.630 2.431 2.357 2.543 . 0 0 "[ . 1 . 2]" 1
687 1 68 LYS H 1 78 LEU HB2 . . 5.070 4.913 4.743 5.072 0.002 18 0 "[ . 1 . 2]" 1
688 1 67 TRP HB3 1 68 LYS H . . 4.160 4.104 4.047 4.153 . 0 0 "[ . 1 . 2]" 1
689 1 67 TRP HB2 1 68 LYS H . . 4.040 3.836 3.665 3.905 . 0 0 "[ . 1 . 2]" 1
690 1 68 LYS H 1 68 LYS HA . . 2.890 2.826 2.800 2.835 . 0 0 "[ . 1 . 2]" 1
691 1 67 TRP HA 1 68 LYS H . . 3.510 3.483 3.460 3.512 0.002 20 0 "[ . 1 . 2]" 1
692 1 66 ASP HA 1 68 LYS H . . 3.750 3.592 3.516 3.676 . 0 0 "[ . 1 . 2]" 1
693 1 67 TRP HZ3 1 68 LYS H . . 5.500 5.417 5.148 5.509 0.009 8 0 "[ . 1 . 2]" 1
694 1 67 TRP H 1 68 LYS H . . 2.800 2.415 2.216 2.560 . 0 0 "[ . 1 . 2]" 1
695 1 84 LYS H 1 86 LEU MD1 . . 5.040 3.971 3.840 4.096 . 0 0 "[ . 1 . 2]" 1
696 1 84 LYS H 1 86 LEU HG . . 4.220 3.945 3.829 4.217 . 0 0 "[ . 1 . 2]" 1
697 1 84 LYS H 1 84 LYS QD . . 4.610 3.407 3.296 3.790 . 0 0 "[ . 1 . 2]" 1
698 1 84 LYS H 1 84 LYS HB2 . . 2.600 2.374 2.280 2.535 . 0 0 "[ . 1 . 2]" 1
699 1 84 LYS H 1 84 LYS HB3 . . 3.620 3.594 3.553 3.623 0.003 19 0 "[ . 1 . 2]" 1
700 1 83 GLN HB3 1 84 LYS H . . 3.860 3.629 3.431 3.885 0.025 19 0 "[ . 1 . 2]" 1
701 1 83 GLN HB2 1 84 LYS H . . 3.060 2.762 2.656 2.870 . 0 0 "[ . 1 . 2]" 1
702 1 83 GLN HG3 1 84 LYS H . . 5.240 4.610 4.414 4.990 . 0 0 "[ . 1 . 2]" 1
703 1 83 GLN HG2 1 84 LYS H . . 5.240 4.862 4.234 5.068 . 0 0 "[ . 1 . 2]" 1
704 1 81 LEU HA 1 84 LYS H . . 3.590 3.464 3.349 3.583 . 0 0 "[ . 1 . 2]" 1
705 1 84 LYS H 1 84 LYS HA . . 2.900 2.889 2.877 2.898 . 0 0 "[ . 1 . 2]" 1
706 1 84 LYS H 1 85 GLY H . . 2.750 2.659 2.510 2.722 . 0 0 "[ . 1 . 2]" 1
707 1 81 LEU H 1 84 LYS H . . 5.060 4.963 4.799 5.049 . 0 0 "[ . 1 . 2]" 1
708 1 83 GLN H 1 84 LYS H . . 2.750 2.706 2.538 2.750 . 2 0 "[ . 1 . 2]" 1
709 1 82 GLU H 1 84 LYS H . . 4.270 4.161 4.030 4.239 . 0 0 "[ . 1 . 2]" 1
710 1 16 THR MG 1 17 LEU H . . 3.880 3.844 3.761 3.890 0.010 19 0 "[ . 1 . 2]" 1
711 1 17 LEU H 1 27 THR MG . . 3.000 2.423 2.189 2.590 . 0 0 "[ . 1 . 2]" 1
712 1 17 LEU H 1 17 LEU HB2 . . 2.890 2.813 2.777 2.865 . 0 0 "[ . 1 . 2]" 1
713 1 17 LEU H 1 17 LEU HB3 . . 3.910 3.859 3.839 3.890 . 0 0 "[ . 1 . 2]" 1
714 1 17 LEU H 1 28 LEU HB3 . . 3.430 3.439 3.396 3.460 0.030 7 0 "[ . 1 . 2]" 1
715 1 17 LEU H 1 18 PRO HD3 . . 4.790 4.747 4.707 4.804 0.014 6 0 "[ . 1 . 2]" 1
716 1 16 THR HA 1 17 LEU H . . 2.400 2.220 2.190 2.266 . 0 0 "[ . 1 . 2]" 1
717 1 16 THR H 1 17 LEU H . . 4.480 4.431 4.359 4.468 . 0 0 "[ . 1 . 2]" 1
718 1 28 LEU H 1 42 ILE MG . . 4.890 4.427 4.040 4.680 . 0 0 "[ . 1 . 2]" 1
719 1 19 VAL MG2 1 28 LEU H . . 2.960 2.705 2.432 2.902 . 0 0 "[ . 1 . 2]" 1
720 1 27 THR MG 1 28 LEU H . . 2.850 2.471 2.080 2.753 . 0 0 "[ . 1 . 2]" 1
721 1 28 LEU H 1 28 LEU HB2 . . 3.000 2.903 2.842 2.965 . 0 0 "[ . 1 . 2]" 1
722 1 17 LEU HB2 1 28 LEU H . . 3.780 3.716 3.556 3.792 0.012 4 0 "[ . 1 . 2]" 1
723 1 17 LEU HB3 1 28 LEU H . . 5.060 5.003 4.854 5.066 0.006 4 0 "[ . 1 . 2]" 1
724 1 28 LEU H 1 28 LEU HB3 . . 2.680 2.327 2.295 2.388 . 0 0 "[ . 1 . 2]" 1
725 1 28 LEU H 1 42 ILE HA . . 5.500 4.411 4.218 4.598 . 0 0 "[ . 1 . 2]" 1
726 1 17 LEU H 1 28 LEU H . . 3.040 2.986 2.894 3.046 0.006 15 0 "[ . 1 . 2]" 1
727 1 27 THR H 1 28 LEU H . . 4.300 4.174 4.110 4.269 . 0 0 "[ . 1 . 2]" 1
728 1 19 VAL H 1 28 LEU H . . 3.820 3.665 3.422 3.834 0.014 9 0 "[ . 1 . 2]" 1
729 1 28 LEU H 1 29 PHE H . . 4.570 4.532 4.498 4.548 . 0 0 "[ . 1 . 2]" 1
730 1 18 PRO HA 1 28 LEU H . . 4.260 4.132 4.016 4.256 . 0 0 "[ . 1 . 2]" 1
731 1 33 LEU H 1 33 LEU MD2 . . 4.390 4.308 4.266 4.342 . 0 0 "[ . 1 . 2]" 1
732 1 33 LEU H 1 33 LEU MD1 . . 4.390 4.133 3.834 4.286 . 0 0 "[ . 1 . 2]" 1
733 1 33 LEU H 1 33 LEU HB2 . . 3.050 2.668 2.379 2.860 . 0 0 "[ . 1 . 2]" 1
734 1 33 LEU H 1 33 LEU HB3 . . 2.900 2.555 2.451 2.681 . 0 0 "[ . 1 . 2]" 1
735 1 33 LEU H 1 41 CYS HG . . 5.500 5.460 5.125 5.541 0.041 18 0 "[ . 1 . 2]" 1
736 1 33 LEU H 1 41 CYS HB2 . . 4.180 3.852 3.543 4.007 . 0 0 "[ . 1 . 2]" 1
737 1 29 PHE HB2 1 33 LEU H . . 4.540 4.336 4.119 4.533 . 0 0 "[ . 1 . 2]" 1
738 1 30 GLN HA 1 33 LEU H . . 3.380 3.240 3.092 3.351 . 0 0 "[ . 1 . 2]" 1
739 1 31 GLU HA 1 33 LEU H . . 4.310 3.952 3.798 4.261 . 0 0 "[ . 1 . 2]" 1
740 1 33 LEU H 1 41 CYS HA . . 5.500 5.370 5.153 5.511 0.011 19 0 "[ . 1 . 2]" 1
741 1 32 LYS H 1 33 LEU H . . 2.510 2.385 2.281 2.463 . 0 0 "[ . 1 . 2]" 1
742 1 33 LEU H 1 34 LYS H . . 2.760 2.256 2.171 2.536 . 0 0 "[ . 1 . 2]" 1
743 1 31 GLU H 1 33 LEU H . . 3.850 3.746 3.626 3.857 0.007 3 0 "[ . 1 . 2]" 1
744 1 33 LEU H 1 35 GLN H . . 5.130 4.111 3.691 4.442 . 0 0 "[ . 1 . 2]" 1
745 1 33 LEU H 1 88 PHE QE . . 5.500 4.841 4.644 5.021 . 0 0 "[ . 1 . 2]" 1
746 1 42 ILE MG 1 50 LEU H . . 4.060 3.901 3.763 4.031 . 0 0 "[ . 1 . 2]" 1
747 1 50 LEU H 1 50 LEU MD2 . . 4.340 3.926 2.231 4.319 . 0 0 "[ . 1 . 2]" 1
748 1 42 ILE HB 1 50 LEU H . . 3.480 3.237 3.129 3.386 . 0 0 "[ . 1 . 2]" 1
749 1 50 LEU H 1 50 LEU HB2 . . 2.930 2.827 2.744 2.872 . 0 0 "[ . 1 . 2]" 1
750 1 42 ILE HG13 1 50 LEU H . . 5.500 5.065 4.909 5.239 . 0 0 "[ . 1 . 2]" 1
751 1 50 LEU H 1 54 GLU HB2 . . 5.500 5.473 5.322 5.537 0.037 16 0 "[ . 1 . 2]" 1
752 1 49 TRP HB3 1 50 LEU H . . 3.280 2.733 2.581 2.981 . 0 0 "[ . 1 . 2]" 1
753 1 49 TRP HB2 1 50 LEU H . . 4.020 3.828 3.706 4.024 0.004 12 0 "[ . 1 . 2]" 1
754 1 40 LYS HA 1 50 LEU H . . 4.330 3.778 3.629 3.934 . 0 0 "[ . 1 . 2]" 1
755 1 43 GLN HA 1 50 LEU H . . 3.620 3.455 3.262 3.621 0.001 15 0 "[ . 1 . 2]" 1
756 1 49 TRP HA 1 50 LEU H . . 2.400 2.291 2.213 2.346 . 0 0 "[ . 1 . 2]" 1
757 1 49 TRP HE3 1 50 LEU H . . 3.840 3.730 3.607 3.846 0.006 7 0 "[ . 1 . 2]" 1
758 1 41 CYS H 1 50 LEU H . . 4.180 3.890 3.789 4.090 . 0 0 "[ . 1 . 2]" 1
759 1 49 TRP H 1 50 LEU H . . 4.640 4.621 4.563 4.641 0.001 2 0 "[ . 1 . 2]" 1
760 1 42 ILE H 1 50 LEU H . . 3.160 3.084 2.973 3.181 0.021 7 0 "[ . 1 . 2]" 1
761 1 56 LEU H 1 71 ILE MD . . 4.650 4.389 4.164 4.657 0.007 6 0 "[ . 1 . 2]" 1
762 1 56 LEU H 1 56 LEU HB3 . . 3.570 3.572 3.559 3.583 0.013 2 0 "[ . 1 . 2]" 1
763 1 56 LEU H 1 56 LEU HG . . 2.950 1.904 1.855 2.015 . 0 0 "[ . 1 . 2]" 1
764 1 55 PHE HB2 1 56 LEU H . . 3.910 3.795 3.742 3.854 . 0 0 "[ . 1 . 2]" 1
765 1 55 PHE HB3 1 56 LEU H . . 2.860 2.528 2.426 2.643 . 0 0 "[ . 1 . 2]" 1
766 1 53 LYS HA 1 56 LEU H . . 3.770 3.643 3.430 3.748 . 0 0 "[ . 1 . 2]" 1
767 1 56 LEU H 1 56 LEU HA . . 2.830 2.806 2.795 2.818 . 0 0 "[ . 1 . 2]" 1
768 1 56 LEU H 1 57 ASN H . . 2.930 2.799 2.715 2.906 . 0 0 "[ . 1 . 2]" 1
769 1 56 LEU H 1 58 GLU H . . 4.240 4.128 4.045 4.163 . 0 0 "[ . 1 . 2]" 1
770 1 55 PHE H 1 56 LEU H . . 3.080 2.975 2.786 3.048 . 0 0 "[ . 1 . 2]" 1
771 1 78 LEU H 1 78 LEU MD2 . . 3.590 3.129 3.003 3.379 . 0 0 "[ . 1 . 2]" 1
772 1 78 LEU H 1 78 LEU MD1 . . 3.590 3.516 3.458 3.585 . 0 0 "[ . 1 . 2]" 1
773 1 77 THR MG 1 78 LEU H . . 4.150 3.858 3.750 3.966 . 0 0 "[ . 1 . 2]" 1
774 1 78 LEU H 1 79 ARG HB2 . . 5.500 5.415 5.185 5.522 0.022 5 0 "[ . 1 . 2]" 1
775 1 78 LEU H 1 78 LEU HG . . 3.430 2.003 1.897 2.175 . 0 0 "[ . 1 . 2]" 1
776 1 78 LEU H 1 78 LEU HB2 . . 3.050 2.657 2.563 2.751 . 0 0 "[ . 1 . 2]" 1
777 1 68 LYS HA 1 78 LEU H . . 4.080 3.935 3.667 4.093 0.013 15 0 "[ . 1 . 2]" 1
778 1 78 LEU H 1 79 ARG HA . . 5.500 5.491 5.436 5.526 0.026 11 0 "[ . 1 . 2]" 1
779 1 78 LEU H 1 78 LEU HA . . 2.910 2.715 2.688 2.751 . 0 0 "[ . 1 . 2]" 1
780 1 77 THR HA 1 78 LEU H . . 2.440 2.214 2.160 2.267 . 0 0 "[ . 1 . 2]" 1
781 1 77 THR HB 1 78 LEU H . . 3.250 2.946 2.750 3.195 . 0 0 "[ . 1 . 2]" 1
782 1 72 ARG HA 1 78 LEU H . . 3.410 3.225 2.909 3.380 . 0 0 "[ . 1 . 2]" 1
783 1 71 ILE H 1 78 LEU H . . 5.370 5.115 4.888 5.282 . 0 0 "[ . 1 . 2]" 1
784 1 78 LEU H 1 79 ARG H . . 3.040 2.950 2.878 2.993 . 0 0 "[ . 1 . 2]" 1
785 1 73 CYS H 1 78 LEU H . . 4.450 3.842 3.587 4.295 . 0 0 "[ . 1 . 2]" 1
786 1 80 HIS HB3 1 81 LEU H . . 2.890 2.454 2.348 2.556 . 0 0 "[ . 1 . 2]" 1
787 1 81 LEU H 1 82 GLU H . . 2.740 2.710 2.619 2.751 0.011 20 0 "[ . 1 . 2]" 1
788 1 80 HIS H 1 81 LEU H . . 2.800 2.757 2.710 2.811 0.011 14 0 "[ . 1 . 2]" 1
789 1 81 LEU H 1 81 LEU HA . . 2.840 2.803 2.788 2.825 . 0 0 "[ . 1 . 2]" 1
790 1 79 ARG HA 1 81 LEU H . . 4.690 4.578 4.391 4.701 0.011 17 0 "[ . 1 . 2]" 1
791 1 81 LEU H 1 82 GLU HB3 . . 5.060 4.920 4.726 5.070 0.010 19 0 "[ . 1 . 2]" 1
792 1 81 LEU H 1 81 LEU HB2 . . 2.630 2.545 2.470 2.623 . 0 0 "[ . 1 . 2]" 1
793 1 81 LEU H 1 81 LEU HG . . 2.640 2.128 2.008 2.264 . 0 0 "[ . 1 . 2]" 1
794 1 86 LEU H 1 86 LEU MD1 . . 4.090 3.633 3.355 3.737 . 0 0 "[ . 1 . 2]" 1
795 1 86 LEU H 1 86 LEU HG . . 3.310 2.413 2.235 2.496 . 0 0 "[ . 1 . 2]" 1
796 1 84 LYS HB2 1 86 LEU H . . 3.600 3.466 3.005 3.571 . 0 0 "[ . 1 . 2]" 1
797 1 84 LYS HB3 1 86 LEU H . . 4.730 4.339 4.148 4.467 . 0 0 "[ . 1 . 2]" 1
798 1 86 LEU H 1 87 LEU HB2 . . 4.870 4.676 4.417 4.875 0.005 19 0 "[ . 1 . 2]" 1
799 1 85 GLY HA2 1 86 LEU H . . 3.110 2.928 2.888 3.068 . 0 0 "[ . 1 . 2]" 1
800 1 82 GLU HA 1 86 LEU H . . 3.700 3.097 2.952 3.626 . 0 0 "[ . 1 . 2]" 1
801 1 86 LEU H 1 86 LEU HA . . 2.940 2.934 2.927 2.943 0.003 20 0 "[ . 1 . 2]" 1
802 1 84 LYS H 1 86 LEU H . . 3.680 3.595 3.474 3.665 . 0 0 "[ . 1 . 2]" 1
803 1 87 LEU H 1 87 LEU MD2 . . 4.450 4.323 4.242 4.398 . 0 0 "[ . 1 . 2]" 1
804 1 87 LEU H 1 87 LEU HB2 . . 3.020 2.754 2.511 2.914 . 0 0 "[ . 1 . 2]" 1
805 1 81 LEU HB3 1 87 LEU H . . 3.980 3.384 2.985 3.859 . 0 0 "[ . 1 . 2]" 1
806 1 86 LEU HB3 1 87 LEU H . . 3.980 3.858 3.697 3.937 . 0 0 "[ . 1 . 2]" 1
807 1 82 GLU HB3 1 87 LEU H . . 5.500 5.018 4.758 5.358 . 0 0 "[ . 1 . 2]" 1
808 1 81 LEU HA 1 87 LEU H . . 5.000 4.477 4.036 4.860 . 0 0 "[ . 1 . 2]" 1
809 1 82 GLU HA 1 87 LEU H . . 2.900 2.140 1.902 2.523 . 0 0 "[ . 1 . 2]" 1
810 1 86 LEU H 1 87 LEU H . . 2.600 2.136 2.036 2.254 . 0 0 "[ . 1 . 2]" 1
811 1 87 LEU H 1 88 PHE H . . 4.650 4.391 4.102 4.548 . 0 0 "[ . 1 . 2]" 1
812 1 30 GLN H 1 30 GLN HE22 . . 5.500 5.549 5.518 5.585 0.085 14 0 "[ . 1 . 2]" 1
813 1 30 GLN HE22 1 88 PHE HA . . 5.320 4.923 4.449 5.300 . 0 0 "[ . 1 . 2]" 1
814 1 17 LEU HG 1 30 GLN HE22 . . 4.900 4.772 4.516 4.903 0.003 20 0 "[ . 1 . 2]" 1
815 1 21 CYS H 1 21 CYS HG . . 5.060 4.933 4.839 5.063 0.003 13 0 "[ . 1 . 2]" 1
816 1 34 LYS H 1 34 LYS QB . . 2.550 2.414 2.316 2.633 0.083 5 0 "[ . 1 . 2]" 1
817 1 80 HIS H 1 81 LEU HG . . 4.680 4.394 4.195 4.574 . 0 0 "[ . 1 . 2]" 1
818 1 10 ALA HA 1 11 VAL H . . 3.070 2.456 2.142 3.081 0.011 19 0 "[ . 1 . 2]" 1
819 1 10 ALA MB 1 13 PHE QB . . 5.350 3.319 1.904 5.348 . 0 0 "[ . 1 . 2]" 1
820 1 10 ALA MB 1 11 VAL H . . 3.680 3.083 2.107 3.683 0.003 18 0 "[ . 1 . 2]" 1
821 1 21 CYS HB3 1 24 ALA MB . . 3.280 2.716 2.404 3.056 . 0 0 "[ . 1 . 2]" 1
822 1 21 CYS HB2 1 24 ALA MB . . 4.580 4.045 3.715 4.428 . 0 0 "[ . 1 . 2]" 1
823 1 24 ALA MB 1 59 GLY HA3 . . 3.120 2.903 2.662 3.121 0.001 10 0 "[ . 1 . 2]" 1
824 1 24 ALA MB 1 59 GLY HA2 . . 2.950 2.879 2.373 2.958 0.008 19 0 "[ . 1 . 2]" 1
825 1 24 ALA MB 1 55 PHE QD . . 4.770 3.282 2.981 3.654 . 0 0 "[ . 1 . 2]" 1
826 1 23 LYS HA 1 24 ALA MB . . 5.420 4.733 4.708 4.797 . 0 0 "[ . 1 . 2]" 1
827 1 24 ALA MB 1 55 PHE HA . . 5.500 3.914 3.446 4.307 . 0 0 "[ . 1 . 2]" 1
828 1 23 LYS QG 1 24 ALA MB . . 5.310 3.928 3.314 5.069 . 0 0 "[ . 1 . 2]" 1
829 1 37 ALA HA 1 39 LYS H . . 4.180 4.027 3.709 4.191 0.011 10 0 "[ . 1 . 2]" 1
830 1 37 ALA MB 1 38 SER HA . . 5.480 3.995 3.782 4.134 . 0 0 "[ . 1 . 2]" 1
831 1 37 ALA MB 1 67 TRP HH2 . . 4.610 4.492 4.277 4.615 0.005 18 0 "[ . 1 . 2]" 1
832 1 46 ALA HA 1 47 GLY H . . 3.450 3.299 3.206 3.384 . 0 0 "[ . 1 . 2]" 1
833 1 45 GLU QB 1 46 ALA MB . . 4.600 3.928 3.752 4.524 . 0 0 "[ . 1 . 2]" 1
834 1 44 ASN HB2 1 46 ALA MB . . 5.140 4.017 3.716 4.344 . 0 0 "[ . 1 . 2]" 1
835 1 46 ALA MB 1 47 GLY H . . 3.400 3.263 3.100 3.398 . 0 0 "[ . 1 . 2]" 1
836 1 45 GLU H 1 46 ALA MB . . 4.400 4.315 4.248 4.403 0.003 9 0 "[ . 1 . 2]" 1
837 1 44 ASN HD21 1 46 ALA MB . . 3.820 3.271 2.961 3.543 . 0 0 "[ . 1 . 2]" 1
838 1 57 ASN HA 1 62 ALA HA . . 3.950 3.699 3.139 3.955 0.005 13 0 "[ . 1 . 2]" 1
839 1 62 ALA HA 1 64 SER H . . 5.260 4.070 3.350 4.494 . 0 0 "[ . 1 . 2]" 1
840 1 61 ARG H 1 62 ALA HA . . 4.650 4.361 4.275 4.678 0.028 14 0 "[ . 1 . 2]" 1
841 1 57 ASN HB2 1 62 ALA MB . . 4.320 3.511 2.421 3.976 . 0 0 "[ . 1 . 2]" 1
842 1 57 ASN HA 1 62 ALA MB . . 3.150 2.322 2.021 2.682 . 0 0 "[ . 1 . 2]" 1
843 1 61 ARG H 1 62 ALA MB . . 4.530 4.023 3.852 4.537 0.007 20 0 "[ . 1 . 2]" 1
844 1 56 LEU HB2 1 62 ALA MB . . 4.870 3.860 3.208 4.530 . 0 0 "[ . 1 . 2]" 1
845 1 21 CYS HB2 1 71 ILE HA . . 3.570 2.991 2.613 3.246 . 0 0 "[ . 1 . 2]" 1
846 1 33 LEU HB2 1 33 LEU HG . . 3.020 3.019 3.012 3.022 0.002 15 0 "[ . 1 . 2]" 1
847 1 21 CYS HB3 1 59 GLY HA3 . . 3.860 3.770 3.312 3.889 0.029 11 0 "[ . 1 . 2]" 1
848 1 21 CYS HB3 1 71 ILE HA . . 4.920 4.627 4.311 4.891 . 0 0 "[ . 1 . 2]" 1
849 1 33 LEU HB2 1 41 CYS HB2 . . 3.570 3.096 2.755 3.355 . 0 0 "[ . 1 . 2]" 1
850 1 32 LYS HB3 1 41 CYS HB2 . . 3.790 3.155 2.959 3.389 . 0 0 "[ . 1 . 2]" 1
851 1 32 LYS HB2 1 41 CYS HB2 . . 3.400 2.960 2.649 3.299 . 0 0 "[ . 1 . 2]" 1
852 1 41 CYS HA 1 41 CYS HB2 . . 2.990 2.495 2.462 2.544 . 0 0 "[ . 1 . 2]" 1
853 1 29 PHE H 1 41 CYS HB2 . . 4.080 2.460 2.301 2.710 . 0 0 "[ . 1 . 2]" 1
854 1 32 LYS HG2 1 41 CYS HB3 . . 5.500 4.665 4.446 4.974 . 0 0 "[ . 1 . 2]" 1
855 1 32 LYS HD3 1 41 CYS HB3 . . 5.500 4.651 4.424 4.933 . 0 0 "[ . 1 . 2]" 1
856 1 33 LEU HB2 1 41 CYS HB3 . . 4.020 3.659 3.226 4.042 0.022 15 0 "[ . 1 . 2]" 1
857 1 32 LYS HB3 1 41 CYS HB3 . . 3.180 2.423 2.205 2.699 . 0 0 "[ . 1 . 2]" 1
858 1 32 LYS HB2 1 41 CYS HB3 . . 3.610 3.220 2.925 3.508 . 0 0 "[ . 1 . 2]" 1
859 1 41 CYS HB3 1 41 CYS HG . . 3.150 2.563 2.557 2.575 . 0 0 "[ . 1 . 2]" 1
860 1 33 LEU HA 1 41 CYS HB3 . . 4.410 2.968 2.821 3.227 . 0 0 "[ . 1 . 2]" 1
861 1 41 CYS HA 1 41 CYS HB3 . . 2.950 2.413 2.370 2.442 . 0 0 "[ . 1 . 2]" 1
862 1 33 LEU H 1 41 CYS HB3 . . 4.170 3.941 3.589 4.114 . 0 0 "[ . 1 . 2]" 1
863 1 73 CYS HA 1 74 ASN H . . 3.570 2.435 2.144 3.567 . 0 0 "[ . 1 . 2]" 1
864 1 19 VAL MG1 1 73 CYS HB3 . . 4.780 4.382 3.947 4.776 . 0 0 "[ . 1 . 2]" 1
865 1 9 ASP H 1 9 ASP HB2 . . 3.930 2.990 2.221 3.869 . 0 0 "[ . 1 . 2]" 1
866 1 44 ASN HD22 1 48 ASP HB2 . . 3.640 2.039 1.900 3.013 . 0 0 "[ . 1 . 2]" 1
867 1 9 ASP HB3 1 10 ALA H . . 4.430 3.720 2.565 4.456 0.026 9 0 "[ . 1 . 2]" 1
868 1 12 ASP H 1 12 ASP HB2 . . 3.850 2.900 2.217 3.679 . 0 0 "[ . 1 . 2]" 1
869 1 48 ASP HB2 1 49 TRP H . . 4.390 4.348 4.250 4.401 0.011 10 0 "[ . 1 . 2]" 1
870 1 48 ASP HB3 1 50 LEU MD2 . . 4.790 3.647 3.014 3.947 . 0 0 "[ . 1 . 2]" 1
871 1 48 ASP HB3 1 50 LEU MD1 . . 4.790 4.358 2.767 4.791 0.001 2 0 "[ . 1 . 2]" 1
872 1 48 ASP HB3 1 49 TRP H . . 4.390 3.517 3.196 3.735 . 0 0 "[ . 1 . 2]" 1
873 1 31 GLU HA 1 34 LYS QD . . 4.260 3.052 2.006 4.108 . 0 0 "[ . 1 . 2]" 1
874 1 31 GLU HA 1 34 LYS QB . . 3.810 3.561 3.291 3.847 0.037 4 0 "[ . 1 . 2]" 1
875 1 31 GLU HA 1 31 GLU QB . . 2.520 2.206 2.178 2.252 . 0 0 "[ . 1 . 2]" 1
876 1 31 GLU HA 1 34 LYS H . . 4.050 3.737 3.633 3.920 . 0 0 "[ . 1 . 2]" 1
877 1 31 GLU HA 1 35 GLN H . . 5.500 5.123 4.713 5.414 . 0 0 "[ . 1 . 2]" 1
878 1 31 GLU HA 1 88 PHE QE . . 5.500 5.310 4.817 5.526 0.026 20 0 "[ . 1 . 2]" 1
879 1 31 GLU QB 1 32 LYS H . . 3.460 3.094 2.648 3.443 . 0 0 "[ . 1 . 2]" 1
880 1 31 GLU H 1 31 GLU QB . . 2.740 2.383 2.169 2.606 . 0 0 "[ . 1 . 2]" 1
881 1 31 GLU QB 1 31 GLU HG3 . . 2.640 2.388 2.138 2.474 . 0 0 "[ . 1 . 2]" 1
882 1 31 GLU QB 1 31 GLU HG2 . . 2.640 2.290 2.204 2.475 . 0 0 "[ . 1 . 2]" 1
883 1 31 GLU H 1 31 GLU HG3 . . 4.550 3.728 2.927 4.438 . 0 0 "[ . 1 . 2]" 1
884 1 58 GLU HA 1 58 GLU HB3 . . 2.840 2.675 2.647 2.687 . 0 0 "[ . 1 . 2]" 1
885 1 45 GLU HA 1 46 ALA H . . 3.500 3.468 3.419 3.506 0.006 14 0 "[ . 1 . 2]" 1
886 1 45 GLU H 1 45 GLU HA . . 2.940 2.790 2.774 2.812 . 0 0 "[ . 1 . 2]" 1
887 1 45 GLU HA 1 47 GLY H . . 3.720 3.565 3.383 3.722 0.002 17 0 "[ . 1 . 2]" 1
888 1 15 PRO HA 1 30 GLN HB2 . . 4.920 3.420 3.080 3.807 . 0 0 "[ . 1 . 2]" 1
889 1 45 GLU H 1 45 GLU QB . . 2.770 2.565 2.489 2.772 0.002 19 0 "[ . 1 . 2]" 1
890 1 45 GLU QB 1 45 GLU HG2 . . 2.690 2.412 2.140 2.473 . 0 0 "[ . 1 . 2]" 1
891 1 45 GLU H 1 45 GLU HG2 . . 3.420 2.347 1.966 3.421 0.001 19 0 "[ . 1 . 2]" 1
892 1 45 GLU QB 1 45 GLU HG3 . . 2.690 2.227 2.139 2.474 . 0 0 "[ . 1 . 2]" 1
893 1 45 GLU HA 1 45 GLU HG3 . . 3.990 3.638 2.735 3.832 . 0 0 "[ . 1 . 2]" 1
894 1 83 GLN HA 1 83 GLN HG3 . . 3.830 3.245 2.974 3.824 . 0 0 "[ . 1 . 2]" 1
895 1 54 GLU HA 1 57 ASN HB2 . . 3.820 2.760 2.521 3.189 . 0 0 "[ . 1 . 2]" 1
896 1 54 GLU HA 1 57 ASN HB3 . . 4.290 3.922 2.988 4.295 0.005 4 0 "[ . 1 . 2]" 1
897 1 50 LEU HB2 1 54 GLU HB2 . . 4.190 3.874 3.689 4.090 . 0 0 "[ . 1 . 2]" 1
898 1 50 LEU HB3 1 54 GLU HB2 . . 3.350 2.377 2.149 2.633 . 0 0 "[ . 1 . 2]" 1
899 1 50 LEU HA 1 54 GLU HB2 . . 3.930 3.332 3.065 3.430 . 0 0 "[ . 1 . 2]" 1
900 1 54 GLU H 1 54 GLU HB3 . . 3.590 3.555 3.524 3.589 . 0 0 "[ . 1 . 2]" 1
901 1 51 THR H 1 54 GLU HB3 . . 3.570 3.392 3.153 3.583 0.013 8 0 "[ . 1 . 2]" 1
902 1 54 GLU HA 1 54 GLU QG . . 3.100 2.342 2.135 2.610 . 0 0 "[ . 1 . 2]" 1
903 1 54 GLU QG 1 55 PHE H . . 4.340 4.176 4.027 4.301 . 0 0 "[ . 1 . 2]" 1
904 1 51 THR H 1 54 GLU QG . . 3.640 2.811 2.401 3.413 . 0 0 "[ . 1 . 2]" 1
905 1 24 ALA MB 1 58 GLU HA . . 4.660 4.211 3.950 4.494 . 0 0 "[ . 1 . 2]" 1
906 1 45 GLU HA 1 45 GLU QB . . 2.770 2.313 2.168 2.368 . 0 0 "[ . 1 . 2]" 1
907 1 57 ASN HB2 1 58 GLU HA . . 5.500 4.909 4.457 5.514 0.014 11 0 "[ . 1 . 2]" 1
908 1 57 ASN HB3 1 58 GLU HA . . 5.500 4.053 3.890 4.252 . 0 0 "[ . 1 . 2]" 1
909 1 58 GLU HA 1 60 GLY H . . 4.940 4.663 4.326 4.796 . 0 0 "[ . 1 . 2]" 1
910 1 58 GLU HA 1 59 GLY H . . 3.550 3.521 3.498 3.544 . 0 0 "[ . 1 . 2]" 1
911 1 45 GLU HA 1 45 GLU HG2 . . 3.990 2.903 2.448 3.853 . 0 0 "[ . 1 . 2]" 1
912 1 24 ALA MB 1 58 GLU HB2 . . 4.220 2.672 2.242 3.103 . 0 0 "[ . 1 . 2]" 1
913 1 58 GLU HA 1 58 GLU HB2 . . 2.990 2.973 2.967 2.984 . 0 0 "[ . 1 . 2]" 1
914 1 55 PHE HA 1 58 GLU HB2 . . 3.400 2.877 2.791 2.955 . 0 0 "[ . 1 . 2]" 1
915 1 24 ALA MB 1 58 GLU HB3 . . 3.180 2.132 1.913 2.577 . 0 0 "[ . 1 . 2]" 1
916 1 55 PHE HA 1 58 GLU HB3 . . 4.460 4.401 4.301 4.476 0.016 14 0 "[ . 1 . 2]" 1
917 1 55 PHE QD 1 58 GLU HB3 . . 4.750 4.713 4.515 4.779 0.029 11 0 "[ . 1 . 2]" 1
918 1 58 GLU H 1 58 GLU HB3 . . 3.530 3.509 3.485 3.534 0.004 8 0 "[ . 1 . 2]" 1
919 1 58 GLU HA 1 58 GLU HG2 . . 3.650 2.647 2.143 3.497 . 0 0 "[ . 1 . 2]" 1
920 1 55 PHE HA 1 58 GLU HG2 . . 5.100 4.085 3.506 5.110 0.010 20 0 "[ . 1 . 2]" 1
921 1 58 GLU H 1 58 GLU HG2 . . 4.090 3.084 2.799 4.100 0.010 8 0 "[ . 1 . 2]" 1
922 1 55 PHE HA 1 58 GLU HG3 . . 5.100 3.650 3.274 4.936 . 0 0 "[ . 1 . 2]" 1
923 1 58 GLU H 1 58 GLU HG3 . . 4.090 3.682 2.798 4.069 . 0 0 "[ . 1 . 2]" 1
924 1 58 GLU HA 1 58 GLU HG3 . . 3.650 3.415 2.197 3.634 . 0 0 "[ . 1 . 2]" 1
925 1 76 GLU HB3 1 81 LEU MD2 . . 4.270 2.841 2.276 3.642 . 0 0 "[ . 1 . 2]" 1
926 1 76 GLU HB3 1 81 LEU HG . . 3.830 3.035 2.447 3.804 . 0 0 "[ . 1 . 2]" 1
927 1 76 GLU HB2 1 81 LEU MD2 . . 3.960 2.451 2.147 2.995 . 0 0 "[ . 1 . 2]" 1
928 1 76 GLU HB2 1 76 GLU HG3 . . 3.010 2.937 2.640 3.010 0.000 8 0 "[ . 1 . 2]" 1
929 1 76 GLU HB2 1 80 HIS HB3 . . 4.370 4.096 3.652 4.279 . 0 0 "[ . 1 . 2]" 1
930 1 76 GLU HB2 1 80 HIS HD2 . . 4.790 4.526 4.094 4.793 0.003 5 0 "[ . 1 . 2]" 1
931 1 76 GLU HB2 1 77 THR H . . 4.380 4.195 3.575 4.393 0.013 5 0 "[ . 1 . 2]" 1
932 1 76 GLU HB2 1 76 GLU HG2 . . 3.010 2.611 2.363 2.965 . 0 0 "[ . 1 . 2]" 1
933 1 76 GLU HA 1 76 GLU HG2 . . 3.730 3.461 2.779 3.732 0.002 10 0 "[ . 1 . 2]" 1
934 1 76 GLU H 1 76 GLU HG2 . . 4.550 4.451 4.171 4.594 0.044 5 0 "[ . 1 . 2]" 1
935 1 76 GLU HA 1 76 GLU HG3 . . 3.730 2.358 2.258 2.614 . 0 0 "[ . 1 . 2]" 1
936 1 76 GLU H 1 76 GLU HG3 . . 4.550 3.910 3.509 4.325 . 0 0 "[ . 1 . 2]" 1
937 1 82 GLU HA 1 87 LEU MD1 . . 5.500 4.958 4.636 5.266 . 0 0 "[ . 1 . 2]" 1
938 1 82 GLU HA 1 87 LEU MD2 . . 5.500 4.017 3.647 4.348 . 0 0 "[ . 1 . 2]" 1
939 1 82 GLU HA 1 87 LEU HB2 . . 4.170 3.646 3.382 3.958 . 0 0 "[ . 1 . 2]" 1
940 1 82 GLU HA 1 87 LEU HB3 . . 3.050 2.557 2.200 2.886 . 0 0 "[ . 1 . 2]" 1
941 1 82 GLU HA 1 87 LEU HA . . 4.590 4.353 4.126 4.594 0.004 12 0 "[ . 1 . 2]" 1
942 1 82 GLU HA 1 85 GLY H . . 4.450 3.693 3.375 3.824 . 0 0 "[ . 1 . 2]" 1
943 1 82 GLU HA 1 82 GLU HG2 . . 3.700 2.751 2.306 3.738 0.038 6 0 "[ . 1 . 2]" 1
944 1 82 GLU HA 1 82 GLU HB2 . . 2.900 2.463 2.398 2.531 . 0 0 "[ . 1 . 2]" 1
945 1 82 GLU HA 1 84 LYS H . . 4.280 4.218 4.140 4.283 0.003 5 0 "[ . 1 . 2]" 1
946 1 82 GLU HB2 1 87 LEU H . . 5.230 4.138 3.848 4.589 . 0 0 "[ . 1 . 2]" 1
947 1 30 GLN HB2 1 88 PHE QE . . 5.500 3.977 3.780 4.221 . 0 0 "[ . 1 . 2]" 1
948 1 82 GLU H 1 82 GLU HG2 . . 4.600 4.431 4.345 4.624 0.024 6 0 "[ . 1 . 2]" 1
949 1 82 GLU HA 1 82 GLU HG3 . . 3.700 3.175 2.642 3.670 . 0 0 "[ . 1 . 2]" 1
950 1 82 GLU H 1 82 GLU HG3 . . 4.600 4.528 4.382 4.599 . 0 0 "[ . 1 . 2]" 1
951 1 13 PHE QB 1 14 SER H . . 4.000 3.046 2.187 3.956 . 0 0 "[ . 1 . 2]" 1
952 1 29 PHE HB2 1 32 LYS HD2 . . 3.500 2.404 2.008 2.663 . 0 0 "[ . 1 . 2]" 1
953 1 29 PHE HB2 1 32 LYS HG3 . . 4.080 3.997 3.802 4.097 0.017 11 0 "[ . 1 . 2]" 1
954 1 29 PHE HB2 1 32 LYS HB2 . . 3.570 1.997 1.975 2.078 . 0 0 "[ . 1 . 2]" 1
955 1 29 PHE HB2 1 41 CYS HA . . 4.080 3.491 3.291 3.717 . 0 0 "[ . 1 . 2]" 1
956 1 29 PHE HB2 1 49 TRP HH2 . . 5.410 3.728 3.474 3.976 . 0 0 "[ . 1 . 2]" 1
957 1 29 PHE HB3 1 32 LYS HD2 . . 3.640 2.924 2.492 3.121 . 0 0 "[ . 1 . 2]" 1
958 1 29 PHE HB3 1 32 LYS HG3 . . 4.170 4.100 3.932 4.169 . 0 0 "[ . 1 . 2]" 1
959 1 16 THR HA 1 29 PHE HB3 . . 5.440 4.639 4.534 4.706 . 0 0 "[ . 1 . 2]" 1
960 1 29 PHE HB3 1 49 TRP HZ3 . . 4.080 3.801 3.610 4.056 . 0 0 "[ . 1 . 2]" 1
961 1 50 LEU MD1 1 55 PHE HA . . 4.310 2.862 2.232 4.336 0.026 18 0 "[ . 1 . 2]" 1
962 1 54 GLU HB2 1 55 PHE HA . . 5.500 4.536 4.400 4.626 . 0 0 "[ . 1 . 2]" 1
963 1 55 PHE HA 1 55 PHE HB2 . . 2.990 2.497 2.473 2.539 . 0 0 "[ . 1 . 2]" 1
964 1 55 PHE HA 1 59 GLY H . . 5.100 4.989 4.756 5.100 0.000 15 0 "[ . 1 . 2]" 1
965 1 55 PHE HA 1 58 GLU H . . 3.770 3.689 3.595 3.788 0.018 11 0 "[ . 1 . 2]" 1
966 1 55 PHE HB3 1 71 ILE MD . . 4.680 3.154 2.827 3.360 . 0 0 "[ . 1 . 2]" 1
967 1 50 LEU HB2 1 55 PHE HB3 . . 5.000 4.498 4.024 4.998 . 0 0 "[ . 1 . 2]" 1
968 1 50 LEU HB2 1 55 PHE HB2 . . 3.820 2.807 2.345 3.291 . 0 0 "[ . 1 . 2]" 1
969 1 88 PHE H 1 88 PHE HB2 . . 3.650 3.580 3.519 3.669 0.019 19 0 "[ . 1 . 2]" 1
970 1 80 HIS HA 1 80 HIS HB2 . . 2.840 2.521 2.449 2.593 . 0 0 "[ . 1 . 2]" 1
971 1 61 ARG HB3 1 64 SER HA . . 5.500 5.173 4.365 5.513 0.013 13 0 "[ . 1 . 2]" 1
972 1 80 HIS HA 1 80 HIS HD2 . . 4.080 3.962 3.808 4.093 0.013 10 0 "[ . 1 . 2]" 1
973 1 76 GLU HB3 1 80 HIS HB3 . . 3.720 2.488 2.212 2.602 . 0 0 "[ . 1 . 2]" 1
974 1 76 GLU HG3 1 80 HIS HB3 . . 4.560 4.467 4.320 4.572 0.012 5 0 "[ . 1 . 2]" 1
975 1 80 HIS H 1 80 HIS HB3 . . 2.990 2.664 2.541 2.802 . 0 0 "[ . 1 . 2]" 1
976 1 77 THR H 1 80 HIS HB3 . . 3.640 3.360 2.978 3.619 . 0 0 "[ . 1 . 2]" 1
977 1 76 GLU HB3 1 80 HIS HB2 . . 4.110 3.840 3.538 4.073 . 0 0 "[ . 1 . 2]" 1
978 1 76 GLU HG3 1 80 HIS HB2 . . 5.350 5.181 4.754 5.363 0.013 5 0 "[ . 1 . 2]" 1
979 1 76 GLU HG2 1 80 HIS HB2 . . 5.350 5.115 3.951 5.357 0.007 12 0 "[ . 1 . 2]" 1
980 1 80 HIS HB2 1 80 HIS HD2 . . 3.960 3.941 3.923 3.960 0.000 16 0 "[ . 1 . 2]" 1
981 1 80 HIS HB2 1 81 LEU H . . 3.950 3.720 3.586 3.858 . 0 0 "[ . 1 . 2]" 1
982 1 42 ILE HA 1 42 ILE HG13 . . 3.210 2.846 2.731 2.998 . 0 0 "[ . 1 . 2]" 1
983 1 29 PHE H 1 42 ILE HA . . 4.050 3.950 3.836 4.060 0.010 14 0 "[ . 1 . 2]" 1
984 1 42 ILE HB 1 50 LEU HB2 . . 3.030 2.719 2.599 2.829 . 0 0 "[ . 1 . 2]" 1
985 1 42 ILE HB 1 55 PHE HB2 . . 3.820 2.670 2.349 2.882 . 0 0 "[ . 1 . 2]" 1
986 1 41 CYS H 1 42 ILE HB . . 4.200 4.103 4.012 4.210 0.010 7 0 "[ . 1 . 2]" 1
987 1 28 LEU MD1 1 42 ILE HG13 . . 3.180 2.723 2.513 2.956 . 0 0 "[ . 1 . 2]" 1
988 1 42 ILE HG12 1 42 ILE MG . . 3.150 2.302 2.098 2.379 . 0 0 "[ . 1 . 2]" 1
989 1 28 LEU MD1 1 42 ILE HG12 . . 3.280 2.877 2.564 3.111 . 0 0 "[ . 1 . 2]" 1
990 1 42 ILE HA 1 42 ILE HG12 . . 3.350 2.618 2.537 2.786 . 0 0 "[ . 1 . 2]" 1
991 1 42 ILE H 1 42 ILE HG12 . . 4.280 3.777 3.627 3.923 . 0 0 "[ . 1 . 2]" 1
992 1 19 VAL MG2 1 42 ILE MG . . 3.050 2.266 1.771 2.608 . 0 0 "[ . 1 . 2]" 1
993 1 19 VAL MG1 1 42 ILE MG . . 4.510 4.039 3.548 4.443 . 0 0 "[ . 1 . 2]" 1
994 1 42 ILE MG 1 50 LEU HB2 . . 3.400 3.092 2.767 3.396 . 0 0 "[ . 1 . 2]" 1
995 1 42 ILE HG13 1 42 ILE MG . . 3.280 3.187 3.157 3.197 . 0 0 "[ . 1 . 2]" 1
996 1 42 ILE MG 1 50 LEU HB3 . . 4.750 4.514 4.239 4.761 0.011 7 0 "[ . 1 . 2]" 1
997 1 42 ILE MG 1 55 PHE HB2 . . 3.720 2.632 2.395 2.954 . 0 0 "[ . 1 . 2]" 1
998 1 42 ILE MG 1 55 PHE HB3 . . 4.140 3.578 3.328 3.774 . 0 0 "[ . 1 . 2]" 1
999 1 26 GLY HA3 1 42 ILE MG . . 3.150 2.500 2.336 2.792 . 0 0 "[ . 1 . 2]" 1
1000 1 27 THR HB 1 42 ILE MG . . 5.500 4.865 4.623 5.175 . 0 0 "[ . 1 . 2]" 1
1001 1 42 ILE MG 1 44 ASN HB2 . . 5.500 5.119 4.903 5.317 . 0 0 "[ . 1 . 2]" 1
1002 1 42 ILE MG 1 44 ASN HA . . 3.960 3.867 3.767 3.991 0.031 14 0 "[ . 1 . 2]" 1
1003 1 42 ILE HA 1 42 ILE MG . . 2.990 2.393 2.329 2.460 . 0 0 "[ . 1 . 2]" 1
1004 1 42 ILE MD 1 42 ILE MG . . 2.640 2.077 1.932 2.392 . 0 0 "[ . 1 . 2]" 1
1005 1 19 VAL MG1 1 42 ILE MD . . 4.490 3.967 3.569 4.220 . 0 0 "[ . 1 . 2]" 1
1006 1 28 LEU MD1 1 42 ILE MD . . 3.530 3.313 3.026 3.537 0.007 15 0 "[ . 1 . 2]" 1
1007 1 42 ILE MD 1 71 ILE MG . . 3.900 3.514 3.146 3.791 . 0 0 "[ . 1 . 2]" 1
1008 1 42 ILE HB 1 42 ILE MD . . 2.650 2.328 2.189 2.443 . 0 0 "[ . 1 . 2]" 1
1009 1 28 LEU HB3 1 42 ILE MD . . 5.500 5.363 5.090 5.503 0.003 18 0 "[ . 1 . 2]" 1
1010 1 42 ILE MD 1 71 ILE HB . . 5.500 5.033 4.728 5.343 . 0 0 "[ . 1 . 2]" 1
1011 1 42 ILE MD 1 55 PHE HB2 . . 3.100 2.034 1.946 2.260 . 0 0 "[ . 1 . 2]" 1
1012 1 42 ILE MD 1 55 PHE HB3 . . 3.120 2.265 2.115 2.472 . 0 0 "[ . 1 . 2]" 1
1013 1 42 ILE MD 1 52 VAL HA . . 2.890 2.004 1.890 2.157 . 0 0 "[ . 1 . 2]" 1
1014 1 42 ILE MD 1 55 PHE HA . . 4.340 4.117 3.965 4.260 . 0 0 "[ . 1 . 2]" 1
1015 1 42 ILE HA 1 42 ILE MD . . 3.900 3.855 3.821 3.911 0.011 7 0 "[ . 1 . 2]" 1
1016 1 42 ILE MD 1 55 PHE QE . . 4.160 3.577 3.412 3.714 . 0 0 "[ . 1 . 2]" 1
1017 1 42 ILE MD 1 52 VAL H . . 4.220 3.803 3.659 3.928 . 0 0 "[ . 1 . 2]" 1
1018 1 42 ILE H 1 42 ILE MD . . 3.930 3.561 3.292 3.746 . 0 0 "[ . 1 . 2]" 1
1019 1 67 TRP HE3 1 71 ILE HB . . 4.080 3.457 3.284 3.591 . 0 0 "[ . 1 . 2]" 1
1020 1 70 VAL MG2 1 71 ILE HG13 . . 3.370 1.948 1.916 2.142 . 0 0 "[ . 1 . 2]" 1
1021 1 71 ILE HA 1 71 ILE HG13 . . 3.500 2.962 2.823 3.076 . 0 0 "[ . 1 . 2]" 1
1022 1 55 PHE QD 1 71 ILE HG13 . . 4.280 3.721 3.450 4.065 . 0 0 "[ . 1 . 2]" 1
1023 1 21 CYS HB2 1 71 ILE HG12 . . 3.500 2.243 1.998 2.630 . 0 0 "[ . 1 . 2]" 1
1024 1 71 ILE HA 1 71 ILE HG12 . . 3.240 2.586 2.540 2.637 . 0 0 "[ . 1 . 2]" 1
1025 1 55 PHE QE 1 71 ILE HG12 . . 3.930 2.624 2.361 3.074 . 0 0 "[ . 1 . 2]" 1
1026 1 55 PHE QD 1 71 ILE HG12 . . 3.820 2.432 2.108 2.775 . 0 0 "[ . 1 . 2]" 1
1027 1 71 ILE H 1 71 ILE HG12 . . 3.820 3.579 3.383 3.806 . 0 0 "[ . 1 . 2]" 1
1028 1 19 VAL MG1 1 71 ILE MG . . 2.740 2.417 2.149 2.749 0.009 10 0 "[ . 1 . 2]" 1
1029 1 71 ILE MD 1 71 ILE MG . . 2.460 2.077 1.941 2.216 . 0 0 "[ . 1 . 2]" 1
1030 1 19 VAL HB 1 71 ILE MG . . 2.620 1.907 1.820 2.109 . 0 0 "[ . 1 . 2]" 1
1031 1 71 ILE HG13 1 71 ILE MG . . 3.280 3.190 3.171 3.201 . 0 0 "[ . 1 . 2]" 1
1032 1 21 CYS HB2 1 71 ILE MG . . 4.570 3.326 2.894 3.642 . 0 0 "[ . 1 . 2]" 1
1033 1 71 ILE HA 1 71 ILE MG . . 2.900 2.381 2.278 2.460 . 0 0 "[ . 1 . 2]" 1
1034 1 55 PHE QD 1 71 ILE MG . . 3.720 3.269 2.767 3.640 . 0 0 "[ . 1 . 2]" 1
1035 1 71 ILE H 1 71 ILE MG . . 3.820 3.774 3.764 3.786 . 0 0 "[ . 1 . 2]" 1
1036 1 52 VAL MG2 1 71 ILE MD . . 4.330 4.047 3.853 4.231 . 0 0 "[ . 1 . 2]" 1
1037 1 52 VAL MG1 1 71 ILE MD . . 4.330 2.754 2.474 3.028 . 0 0 "[ . 1 . 2]" 1
1038 1 19 VAL MG1 1 71 ILE MD . . 4.010 3.728 3.531 4.018 0.008 8 0 "[ . 1 . 2]" 1
1039 1 71 ILE HB 1 71 ILE MD . . 2.780 2.362 2.299 2.430 . 0 0 "[ . 1 . 2]" 1
1040 1 19 VAL HB 1 71 ILE MD . . 4.100 3.666 3.440 4.104 0.004 19 0 "[ . 1 . 2]" 1
1041 1 21 CYS HB2 1 71 ILE MD . . 4.150 3.734 3.505 4.086 . 0 0 "[ . 1 . 2]" 1
1042 1 55 PHE HB2 1 71 ILE MD . . 4.450 4.256 4.010 4.460 0.010 11 0 "[ . 1 . 2]" 1
1043 1 67 TRP HB2 1 71 ILE MD . . 3.210 2.073 1.970 2.359 . 0 0 "[ . 1 . 2]" 1
1044 1 52 VAL HA 1 71 ILE MD . . 3.930 3.572 3.407 3.749 . 0 0 "[ . 1 . 2]" 1
1045 1 71 ILE HA 1 71 ILE MD . . 3.910 3.854 3.835 3.869 . 0 0 "[ . 1 . 2]" 1
1046 1 67 TRP HZ3 1 71 ILE MD . . 3.830 3.545 3.250 3.784 . 0 0 "[ . 1 . 2]" 1
1047 1 71 ILE H 1 71 ILE MD . . 3.720 3.587 3.523 3.714 . 0 0 "[ . 1 . 2]" 1
1048 1 71 ILE MD 1 72 ARG H . . 5.350 5.086 4.891 5.204 . 0 0 "[ . 1 . 2]" 1
1049 1 44 ASN HA 1 44 ASN HB2 . . 2.920 2.383 2.314 2.443 . 0 0 "[ . 1 . 2]" 1
1050 1 44 ASN HB2 1 45 GLU H . . 2.870 2.279 2.207 2.346 . 0 0 "[ . 1 . 2]" 1
1051 1 44 ASN HB2 1 44 ASN HD21 . . 3.550 2.910 2.530 3.552 0.002 7 0 "[ . 1 . 2]" 1
1052 1 44 ASN HA 1 44 ASN HB3 . . 2.950 2.538 2.467 2.626 . 0 0 "[ . 1 . 2]" 1
1053 1 44 ASN HB3 1 44 ASN HD22 . . 3.610 3.595 3.560 3.613 0.003 3 0 "[ . 1 . 2]" 1
1054 1 44 ASN HB3 1 45 GLU H . . 3.790 3.729 3.677 3.764 . 0 0 "[ . 1 . 2]" 1
1055 1 54 GLU QG 1 57 ASN HB2 . . 5.120 4.513 4.160 5.004 . 0 0 "[ . 1 . 2]" 1
1056 1 57 ASN HB2 1 57 ASN HD22 . . 4.080 3.523 3.436 3.862 . 0 0 "[ . 1 . 2]" 1
1057 1 57 ASN H 1 57 ASN HB2 . . 2.790 2.248 2.168 2.415 . 0 0 "[ . 1 . 2]" 1
1058 1 57 ASN HB2 1 58 GLU H . . 3.940 3.098 2.722 3.678 . 0 0 "[ . 1 . 2]" 1
1059 1 57 ASN HB3 1 62 ALA MB . . 4.460 3.781 3.433 4.268 . 0 0 "[ . 1 . 2]" 1
1060 1 57 ASN HA 1 57 ASN HB3 . . 3.020 2.765 2.571 3.007 . 0 0 "[ . 1 . 2]" 1
1061 1 57 ASN H 1 57 ASN HB3 . . 3.730 3.346 2.884 3.587 . 0 0 "[ . 1 . 2]" 1
1062 1 57 ASN HB3 1 58 GLU H . . 3.740 3.140 2.604 3.528 . 0 0 "[ . 1 . 2]" 1
1063 1 73 CYS HA 1 74 ASN HA . . 4.550 4.403 4.364 4.546 . 0 0 "[ . 1 . 2]" 1
1064 1 74 ASN HB2 1 74 ASN HD21 . . 3.550 2.635 2.154 3.551 0.001 11 0 "[ . 1 . 2]" 1
1065 1 74 ASN HB2 1 75 GLY H . . 4.500 4.116 3.918 4.224 . 0 0 "[ . 1 . 2]" 1
1066 1 74 ASN HB3 1 74 ASN HD21 . . 3.550 2.915 2.426 3.551 0.001 8 0 "[ . 1 . 2]" 1
1067 1 74 ASN H 1 74 ASN HB3 . . 4.110 3.992 3.570 4.109 . 0 0 "[ . 1 . 2]" 1
1068 1 15 PRO HA 1 16 THR H . . 3.320 3.296 3.270 3.332 0.012 9 0 "[ . 1 . 2]" 1
1069 1 15 PRO HB2 1 16 THR H . . 4.040 3.966 3.904 4.004 . 0 0 "[ . 1 . 2]" 1
1070 1 15 PRO HB2 1 16 THR MG . . 4.280 3.304 3.098 3.500 . 0 0 "[ . 1 . 2]" 1
1071 1 15 PRO HB3 1 16 THR MG . . 4.830 4.593 4.452 4.818 . 0 0 "[ . 1 . 2]" 1
1072 1 15 PRO HD3 1 16 THR H . . 4.100 4.044 4.003 4.074 . 0 0 "[ . 1 . 2]" 1
1073 1 18 PRO HB2 1 19 VAL H . . 3.880 3.772 3.675 3.867 . 0 0 "[ . 1 . 2]" 1
1074 1 18 PRO HB3 1 19 VAL H . . 4.240 4.168 4.099 4.237 . 0 0 "[ . 1 . 2]" 1
1075 1 17 LEU HA 1 18 PRO HG2 . . 4.910 4.344 4.314 4.384 . 0 0 "[ . 1 . 2]" 1
1076 1 17 LEU HA 1 18 PRO HG3 . . 4.760 4.363 4.348 4.385 . 0 0 "[ . 1 . 2]" 1
1077 1 17 LEU HB3 1 18 PRO HD3 . . 4.050 3.811 3.702 3.887 . 0 0 "[ . 1 . 2]" 1
1078 1 17 LEU HA 1 18 PRO HD3 . . 2.610 2.252 2.251 2.256 . 0 0 "[ . 1 . 2]" 1
1079 1 17 LEU MD1 1 18 PRO HD2 . . 5.230 4.385 4.338 4.438 . 0 0 "[ . 1 . 2]" 1
1080 1 18 PRO HD2 1 19 VAL MG1 . . 5.500 4.753 4.669 4.837 . 0 0 "[ . 1 . 2]" 1
1081 1 17 LEU HB2 1 18 PRO HD2 . . 4.040 3.836 3.719 3.909 . 0 0 "[ . 1 . 2]" 1
1082 1 17 LEU HB3 1 18 PRO HD2 . . 3.500 2.431 2.304 2.523 . 0 0 "[ . 1 . 2]" 1
1083 1 18 PRO HD2 1 73 CYS HG . . 3.930 2.971 2.373 3.736 . 0 0 "[ . 1 . 2]" 1
1084 1 17 LEU HA 1 18 PRO HD2 . . 2.660 2.190 2.154 2.240 . 0 0 "[ . 1 . 2]" 1
1085 1 90 GLY HA2 1 91 PRO QG . . 4.630 4.237 3.943 4.556 . 0 0 "[ . 1 . 2]" 1
1086 1 90 GLY HA3 1 91 PRO QD . . 2.850 2.273 1.954 2.653 . 0 0 "[ . 1 . 2]" 1
1087 1 28 LEU MD1 1 30 GLN HA . . 4.570 4.084 3.935 4.297 . 0 0 "[ . 1 . 2]" 1
1088 1 30 GLN HA 1 33 LEU HB2 . . 3.570 3.011 2.688 3.509 . 0 0 "[ . 1 . 2]" 1
1089 1 30 GLN HA 1 30 GLN HG2 . . 2.770 2.719 2.660 2.769 . 0 0 "[ . 1 . 2]" 1
1090 1 30 GLN HA 1 30 GLN HB3 . . 2.900 2.324 2.307 2.343 . 0 0 "[ . 1 . 2]" 1
1091 1 30 GLN HA 1 32 LYS H . . 4.460 4.371 4.148 4.494 0.034 5 0 "[ . 1 . 2]" 1
1092 1 30 GLN HA 1 34 LYS H . . 4.100 3.776 3.334 4.079 . 0 0 "[ . 1 . 2]" 1
1093 1 17 LEU MD1 1 30 GLN HB3 . . 5.410 4.961 4.686 5.154 . 0 0 "[ . 1 . 2]" 1
1094 1 30 GLN HB3 1 88 PHE HZ . . 4.200 2.820 2.562 3.292 . 0 0 "[ . 1 . 2]" 1
1095 1 30 GLN H 1 30 GLN HB3 . . 3.530 3.523 3.507 3.541 0.011 14 0 "[ . 1 . 2]" 1
1096 1 30 GLN HB3 1 31 GLU H . . 4.080 3.953 3.828 4.147 0.067 11 0 "[ . 1 . 2]" 1
1097 1 30 GLN HB3 1 30 GLN HG3 . . 3.000 2.989 2.971 2.996 . 0 0 "[ . 1 . 2]" 1
1098 1 30 GLN HA 1 30 GLN HG3 . . 3.640 3.583 3.551 3.621 . 0 0 "[ . 1 . 2]" 1
1099 1 30 GLN HE22 1 30 GLN HG3 . . 4.050 4.015 3.963 4.042 . 0 0 "[ . 1 . 2]" 1
1100 1 30 GLN HE21 1 30 GLN HG3 . . 3.470 3.392 3.292 3.445 . 0 0 "[ . 1 . 2]" 1
1101 1 28 LEU MD2 1 30 GLN HG2 . . 4.840 3.093 2.917 3.259 . 0 0 "[ . 1 . 2]" 1
1102 1 30 GLN HB3 1 30 GLN HG2 . . 2.740 2.575 2.549 2.628 . 0 0 "[ . 1 . 2]" 1
1103 1 35 GLN HA 1 35 GLN HB3 . . 2.710 2.450 2.388 2.561 . 0 0 "[ . 1 . 2]" 1
1104 1 35 GLN HA 1 35 GLN HG2 . . 3.650 2.734 2.377 3.629 . 0 0 "[ . 1 . 2]" 1
1105 1 30 GLN HA 1 33 LEU HA . . 5.500 4.944 4.856 5.075 . 0 0 "[ . 1 . 2]" 1
1106 1 33 LEU HA 1 34 LYS HA . . 5.500 4.879 4.837 4.931 . 0 0 "[ . 1 . 2]" 1
1107 1 34 LYS HA 1 35 GLN HA . . 5.500 4.844 4.774 4.931 . 0 0 "[ . 1 . 2]" 1
1108 1 33 LEU HA 1 36 GLY H . . 4.000 3.457 3.209 3.751 . 0 0 "[ . 1 . 2]" 1
1109 1 35 GLN HB3 1 39 LYS QD . . 4.600 3.762 2.320 4.592 . 0 0 "[ . 1 . 2]" 1
1110 1 35 GLN H 1 35 GLN HB3 . . 3.620 3.590 3.571 3.624 0.004 19 0 "[ . 1 . 2]" 1
1111 1 57 ASN HB3 1 58 GLU HB2 . . 5.500 5.180 4.588 5.545 0.045 20 0 "[ . 1 . 2]" 1
1112 1 34 LYS QB 1 35 GLN HG2 . . 5.230 4.273 3.328 5.156 . 0 0 "[ . 1 . 2]" 1
1113 1 34 LYS QB 1 35 GLN HG3 . . 5.230 4.238 3.450 5.153 . 0 0 "[ . 1 . 2]" 1
1114 1 35 GLN HA 1 35 GLN HG3 . . 3.650 3.287 2.388 3.832 0.182 13 0 "[ . 1 . 2]" 1
1115 1 42 ILE HA 1 43 GLN HB2 . . 5.010 4.415 4.337 4.510 . 0 0 "[ . 1 . 2]" 1
1116 1 43 GLN HB2 1 43 GLN HE21 . . 4.650 3.878 3.778 4.026 . 0 0 "[ . 1 . 2]" 1
1117 1 43 GLN HG2 1 47 GLY HA3 . . 4.080 3.720 3.530 3.931 . 0 0 "[ . 1 . 2]" 1
1118 1 43 GLN HA 1 43 GLN HG2 . . 3.570 2.769 2.676 2.884 . 0 0 "[ . 1 . 2]" 1
1119 1 43 GLN HA 1 43 GLN HG3 . . 3.310 2.521 2.475 2.595 . 0 0 "[ . 1 . 2]" 1
1120 1 83 GLN HA 1 84 LYS H . . 3.530 3.517 3.485 3.528 . 0 0 "[ . 1 . 2]" 1
1121 1 83 GLN HA 1 83 GLN HB2 . . 3.020 3.014 2.995 3.023 0.003 6 0 "[ . 1 . 2]" 1
1122 1 54 GLU HA 1 54 GLU HB3 . . 2.930 2.639 2.588 2.678 . 0 0 "[ . 1 . 2]" 1
1123 1 83 GLN HB2 1 83 GLN HG3 . . 3.010 2.348 2.280 2.434 . 0 0 "[ . 1 . 2]" 1
1124 1 83 GLN HB2 1 83 GLN HG2 . . 3.010 2.914 2.538 3.010 0.000 15 0 "[ . 1 . 2]" 1
1125 1 83 GLN H 1 83 GLN HB2 . . 2.940 2.406 2.276 2.602 . 0 0 "[ . 1 . 2]" 1
1126 1 83 GLN HA 1 83 GLN HB3 . . 2.920 2.540 2.442 2.619 . 0 0 "[ . 1 . 2]" 1
1127 1 80 HIS HA 1 83 GLN HB3 . . 5.180 4.599 4.471 4.715 . 0 0 "[ . 1 . 2]" 1
1128 1 83 GLN HB3 1 84 LYS HA . . 5.470 4.351 4.182 4.543 . 0 0 "[ . 1 . 2]" 1
1129 1 83 GLN H 1 83 GLN HB3 . . 3.590 3.574 3.542 3.596 0.006 19 0 "[ . 1 . 2]" 1
1130 1 83 GLN HA 1 83 GLN HG2 . . 3.830 2.457 2.252 2.916 . 0 0 "[ . 1 . 2]" 1
1131 1 83 GLN H 1 83 GLN HG2 . . 3.560 3.169 1.987 3.561 0.001 8 0 "[ . 1 . 2]" 1
1132 1 83 GLN H 1 83 GLN HG3 . . 3.560 2.661 2.342 3.470 . 0 0 "[ . 1 . 2]" 1
1133 1 30 GLN H 1 30 GLN HB2 . . 3.970 2.957 2.916 2.998 . 0 0 "[ . 1 . 2]" 1
1134 1 61 ARG HB2 1 70 VAL MG2 . . 4.870 3.737 3.098 4.450 . 0 0 "[ . 1 . 2]" 1
1135 1 56 LEU HA 1 61 ARG HB2 . . 4.770 3.547 3.022 4.492 . 0 0 "[ . 1 . 2]" 1
1136 1 61 ARG HD2 1 70 VAL MG1 . . 4.470 2.995 1.817 4.473 0.003 8 0 "[ . 1 . 2]" 1
1137 1 61 ARG HB3 1 61 ARG HD2 . . 3.750 3.042 2.260 3.644 . 0 0 "[ . 1 . 2]" 1
1138 1 61 ARG HB3 1 61 ARG HD3 . . 3.750 2.855 2.083 3.720 . 0 0 "[ . 1 . 2]" 1
1139 1 61 ARG HB2 1 61 ARG HD3 . . 4.020 3.181 2.538 3.896 . 0 0 "[ . 1 . 2]" 1
1140 1 72 ARG HA 1 72 ARG HG2 . . 3.240 2.533 2.381 2.600 . 0 0 "[ . 1 . 2]" 1
1141 1 72 ARG HA 1 77 THR HA . . 2.990 2.180 1.992 2.934 . 0 0 "[ . 1 . 2]" 1
1142 1 72 ARG HB2 1 72 ARG HD3 . . 3.760 3.456 2.946 3.776 0.016 16 0 "[ . 1 . 2]" 1
1143 1 72 ARG HB2 1 72 ARG HD2 . . 3.760 2.722 2.509 2.875 . 0 0 "[ . 1 . 2]" 1
1144 1 72 ARG HB2 1 73 CYS H . . 4.130 4.019 3.935 4.099 . 0 0 "[ . 1 . 2]" 1
1145 1 72 ARG HB3 1 77 THR HA . . 4.540 3.829 3.435 4.537 . 0 0 "[ . 1 . 2]" 1
1146 1 72 ARG H 1 72 ARG HB3 . . 3.920 3.766 3.724 3.832 . 0 0 "[ . 1 . 2]" 1
1147 1 71 ILE HA 1 72 ARG HG3 . . 4.630 3.825 3.659 4.084 . 0 0 "[ . 1 . 2]" 1
1148 1 72 ARG HG3 1 77 THR HA . . 5.230 4.489 4.057 4.802 . 0 0 "[ . 1 . 2]" 1
1149 1 72 ARG HA 1 72 ARG HG3 . . 3.480 3.309 3.060 3.497 0.017 14 0 "[ . 1 . 2]" 1
1150 1 72 ARG H 1 72 ARG HG3 . . 3.720 2.850 2.634 3.243 . 0 0 "[ . 1 . 2]" 1
1151 1 72 ARG HG2 1 77 THR HA . . 3.210 3.056 2.716 3.211 0.001 3 0 "[ . 1 . 2]" 1
1152 1 72 ARG H 1 72 ARG HG2 . . 4.200 3.678 3.386 4.104 . 0 0 "[ . 1 . 2]" 1
1153 1 72 ARG HG2 1 73 CYS H . . 4.500 4.403 4.198 4.512 0.012 11 0 "[ . 1 . 2]" 1
1154 1 72 ARG HB3 1 72 ARG HD2 . . 3.610 2.630 2.309 3.154 . 0 0 "[ . 1 . 2]" 1
1155 1 72 ARG HB3 1 72 ARG HD3 . . 3.610 2.802 2.260 3.577 . 0 0 "[ . 1 . 2]" 1
1156 1 79 ARG HA 1 82 GLU HB2 . . 3.590 3.443 3.330 3.605 0.015 10 0 "[ . 1 . 2]" 1
1157 1 79 ARG HA 1 82 GLU HB3 . . 3.230 2.840 2.523 3.127 . 0 0 "[ . 1 . 2]" 1
1158 1 79 ARG HA 1 82 GLU H . . 3.660 3.552 3.444 3.663 0.003 4 0 "[ . 1 . 2]" 1
1159 1 79 ARG HB3 1 79 ARG HD3 . . 4.210 3.510 2.829 3.621 . 0 0 "[ . 1 . 2]" 1
1160 1 32 LYS HB3 1 32 LYS HD3 . . 3.400 2.837 2.757 2.935 . 0 0 "[ . 1 . 2]" 1
1161 1 79 ARG HB2 1 80 HIS H . . 3.990 3.915 3.789 4.005 0.015 15 0 "[ . 1 . 2]" 1
1162 1 79 ARG HA 1 79 ARG HG2 . . 3.890 3.046 2.531 3.869 . 0 0 "[ . 1 . 2]" 1
1163 1 79 ARG HG2 1 80 HIS H . . 5.100 4.070 3.530 4.570 . 0 0 "[ . 1 . 2]" 1
1164 1 79 ARG HA 1 79 ARG HG3 . . 3.890 3.128 2.662 3.631 . 0 0 "[ . 1 . 2]" 1
1165 1 86 LEU HA 1 86 LEU HG . . 3.450 3.134 3.065 3.183 . 0 0 "[ . 1 . 2]" 1
1166 1 84 LYS HB3 1 86 LEU HG . . 3.700 2.642 2.521 2.754 . 0 0 "[ . 1 . 2]" 1
1167 1 61 ARG HB2 1 61 ARG HD2 . . 4.020 3.127 2.236 4.065 0.045 12 0 "[ . 1 . 2]" 1
1168 1 79 ARG HB3 1 79 ARG HD2 . . 4.210 2.906 2.117 4.218 0.008 8 0 "[ . 1 . 2]" 1
1169 1 16 THR HA 1 27 THR MG . . 3.500 3.189 3.016 3.367 . 0 0 "[ . 1 . 2]" 1
1170 1 16 THR HA 1 17 LEU HG . . 4.780 3.505 3.430 3.575 . 0 0 "[ . 1 . 2]" 1
1171 1 16 THR HB 1 27 THR MG . . 2.510 1.857 1.818 1.911 . 0 0 "[ . 1 . 2]" 1
1172 1 16 THR HA 1 16 THR HB . . 2.720 2.467 2.429 2.521 . 0 0 "[ . 1 . 2]" 1
1173 1 16 THR HB 1 17 LEU H . . 3.170 2.915 2.755 3.040 . 0 0 "[ . 1 . 2]" 1
1174 1 16 THR HB 1 28 LEU H . . 4.920 4.719 4.543 4.921 0.001 14 0 "[ . 1 . 2]" 1
1175 1 16 THR HA 1 28 LEU H . . 4.840 4.720 4.580 4.813 . 0 0 "[ . 1 . 2]" 1
1176 1 15 PRO QG 1 16 THR MG . . 3.210 2.577 2.401 2.888 . 0 0 "[ . 1 . 2]" 1
1177 1 52 VAL HA 1 52 VAL MG1 . . 3.660 2.415 2.333 2.482 . 0 0 "[ . 1 . 2]" 1
1178 1 16 THR HA 1 16 THR MG . . 2.760 2.325 2.167 2.438 . 0 0 "[ . 1 . 2]" 1
1179 1 16 THR H 1 16 THR MG . . 3.320 2.899 2.767 3.164 . 0 0 "[ . 1 . 2]" 1
1180 1 20 THR HA 1 24 ALA MB . . 4.630 4.329 4.198 4.597 . 0 0 "[ . 1 . 2]" 1
1181 1 20 THR HA 1 25 LYS HG2 . . 5.500 3.850 3.224 5.509 0.009 9 0 "[ . 1 . 2]" 1
1182 1 20 THR HA 1 25 LYS HG3 . . 5.500 4.617 3.293 5.417 . 0 0 "[ . 1 . 2]" 1
1183 1 20 THR HA 1 21 CYS HB3 . . 5.420 4.636 4.583 4.760 . 0 0 "[ . 1 . 2]" 1
1184 1 19 VAL HA 1 20 THR HA . . 4.520 4.473 4.450 4.506 . 0 0 "[ . 1 . 2]" 1
1185 1 20 THR HA 1 55 PHE QE . . 3.670 3.284 3.067 3.520 . 0 0 "[ . 1 . 2]" 1
1186 1 20 THR HA 1 20 THR HB . . 2.690 2.526 2.494 2.593 . 0 0 "[ . 1 . 2]" 1
1187 1 20 THR HB 1 55 PHE HZ . . 5.170 4.569 4.393 5.000 . 0 0 "[ . 1 . 2]" 1
1188 1 20 THR H 1 20 THR HB . . 3.930 3.882 3.825 3.934 0.004 19 0 "[ . 1 . 2]" 1
1189 1 20 THR MG 1 25 LYS HG2 . . 4.160 2.202 1.898 4.155 . 0 0 "[ . 1 . 2]" 1
1190 1 20 THR MG 1 25 LYS HG3 . . 4.160 3.434 2.098 3.882 . 0 0 "[ . 1 . 2]" 1
1191 1 20 THR MG 1 25 LYS QD . . 3.880 3.255 2.591 3.868 . 0 0 "[ . 1 . 2]" 1
1192 1 20 THR MG 1 25 LYS QE . . 4.650 3.623 2.208 4.650 . 0 0 "[ . 1 . 2]" 1
1193 1 20 THR HA 1 20 THR MG . . 2.760 2.297 2.158 2.363 . 0 0 "[ . 1 . 2]" 1
1194 1 20 THR MG 1 55 PHE HZ . . 4.150 3.751 3.493 4.074 . 0 0 "[ . 1 . 2]" 1
1195 1 20 THR H 1 20 THR MG . . 3.380 3.246 3.159 3.386 0.006 9 0 "[ . 1 . 2]" 1
1196 1 27 THR HB 1 43 GLN HB2 . . 4.540 4.135 3.860 4.512 . 0 0 "[ . 1 . 2]" 1
1197 1 16 THR MG 1 27 THR HB . . 5.130 4.390 4.056 4.609 . 0 0 "[ . 1 . 2]" 1
1198 1 19 VAL MG2 1 27 THR HB . . 5.500 4.678 4.466 4.865 . 0 0 "[ . 1 . 2]" 1
1199 1 27 THR HB 1 43 GLN HB3 . . 3.520 3.059 2.729 3.501 . 0 0 "[ . 1 . 2]" 1
1200 1 27 THR HB 1 42 ILE HA . . 5.180 4.863 4.748 5.094 . 0 0 "[ . 1 . 2]" 1
1201 1 27 THR HB 1 28 LEU H . . 4.240 4.166 4.086 4.243 0.003 9 0 "[ . 1 . 2]" 1
1202 1 16 THR MG 1 27 THR MG . . 2.930 2.706 2.459 2.917 . 0 0 "[ . 1 . 2]" 1
1203 1 17 LEU HA 1 27 THR MG . . 5.090 3.740 3.538 3.932 . 0 0 "[ . 1 . 2]" 1
1204 1 18 PRO HA 1 27 THR MG . . 5.260 3.299 2.908 3.579 . 0 0 "[ . 1 . 2]" 1
1205 1 40 LYS HG3 1 51 THR MG . . 4.190 3.550 3.322 3.713 . 0 0 "[ . 1 . 2]" 1
1206 1 40 LYS HD3 1 51 THR MG . . 2.990 1.827 1.768 1.965 . 0 0 "[ . 1 . 2]" 1
1207 1 51 THR MG 1 54 GLU HB2 . . 4.610 3.550 3.309 3.960 . 0 0 "[ . 1 . 2]" 1
1208 1 51 THR MG 1 54 GLU QG . . 4.790 2.979 2.502 3.994 . 0 0 "[ . 1 . 2]" 1
1209 1 40 LYS QE 1 51 THR MG . . 3.270 2.261 2.114 2.659 . 0 0 "[ . 1 . 2]" 1
1210 1 40 LYS HA 1 51 THR MG . . 3.010 2.567 2.363 2.696 . 0 0 "[ . 1 . 2]" 1
1211 1 39 LYS HA 1 51 THR MG . . 3.720 3.199 2.613 3.491 . 0 0 "[ . 1 . 2]" 1
1212 1 38 SER HA 1 51 THR MG . . 4.130 3.764 3.485 4.087 . 0 0 "[ . 1 . 2]" 1
1213 1 50 LEU HA 1 51 THR MG . . 3.810 3.664 3.527 3.803 . 0 0 "[ . 1 . 2]" 1
1214 1 40 LYS H 1 51 THR MG . . 3.720 2.888 2.676 3.028 . 0 0 "[ . 1 . 2]" 1
1215 1 51 THR MG 1 52 VAL H . . 4.000 3.895 3.782 4.014 0.014 20 0 "[ . 1 . 2]" 1
1216 1 63 THR HA 1 63 THR MG . . 3.210 2.847 2.201 3.207 . 0 0 "[ . 1 . 2]" 1
1217 1 62 ALA MB 1 63 THR HA . . 3.990 3.785 3.648 3.911 . 0 0 "[ . 1 . 2]" 1
1218 1 63 THR HA 1 63 THR HB . . 3.020 2.456 2.410 2.533 . 0 0 "[ . 1 . 2]" 1
1219 1 62 ALA H 1 63 THR MG . . 5.500 4.057 3.293 4.561 . 0 0 "[ . 1 . 2]" 1
1220 1 72 ARG HG3 1 77 THR MG . . 3.900 3.652 3.309 3.892 . 0 0 "[ . 1 . 2]" 1
1221 1 76 GLU HB3 1 77 THR MG . . 5.250 4.959 4.364 5.185 . 0 0 "[ . 1 . 2]" 1
1222 1 72 ARG HD3 1 77 THR MG . . 4.930 3.299 2.647 4.098 . 0 0 "[ . 1 . 2]" 1
1223 1 72 ARG HD2 1 77 THR MG . . 4.930 4.214 3.514 4.831 . 0 0 "[ . 1 . 2]" 1
1224 1 77 THR MG 1 80 HIS HB2 . . 4.550 4.141 3.902 4.374 . 0 0 "[ . 1 . 2]" 1
1225 1 69 GLY HA3 1 77 THR MG . . 4.500 3.994 3.129 4.301 . 0 0 "[ . 1 . 2]" 1
1226 1 69 GLY HA2 1 77 THR MG . . 3.400 2.805 1.997 3.119 . 0 0 "[ . 1 . 2]" 1
1227 1 77 THR HA 1 77 THR MG . . 2.840 2.318 2.243 2.395 . 0 0 "[ . 1 . 2]" 1
1228 1 72 ARG HA 1 77 THR MG . . 4.300 3.402 3.024 4.299 . 0 0 "[ . 1 . 2]" 1
1229 1 77 THR MG 1 79 ARG H . . 4.650 4.517 4.420 4.621 . 0 0 "[ . 1 . 2]" 1
1230 1 77 THR H 1 77 THR MG . . 2.710 2.254 2.050 2.480 . 0 0 "[ . 1 . 2]" 1
1231 1 11 VAL HA 1 11 VAL MG1 . . 3.280 2.548 2.204 3.202 . 0 0 "[ . 1 . 2]" 1
1232 1 11 VAL H 1 11 VAL MG1 . . 3.850 2.753 1.880 3.814 . 0 0 "[ . 1 . 2]" 1
1233 1 11 VAL MG1 1 12 ASP H . . 4.220 3.307 1.867 4.090 . 0 0 "[ . 1 . 2]" 1
1234 1 11 VAL HA 1 11 VAL MG2 . . 3.280 2.695 2.251 3.198 . 0 0 "[ . 1 . 2]" 1
1235 1 11 VAL MG2 1 12 ASP H . . 4.220 3.070 1.932 3.946 . 0 0 "[ . 1 . 2]" 1
1236 1 19 VAL HA 1 19 VAL MG2 . . 3.350 3.198 3.185 3.203 . 0 0 "[ . 1 . 2]" 1
1237 1 19 VAL HA 1 19 VAL MG1 . . 2.690 2.372 2.319 2.410 . 0 0 "[ . 1 . 2]" 1
1238 1 19 VAL HA 1 71 ILE MG . . 3.720 3.167 2.917 3.555 . 0 0 "[ . 1 . 2]" 1
1239 1 19 VAL HA 1 20 THR MG . . 3.930 3.726 3.530 3.961 0.031 9 0 "[ . 1 . 2]" 1
1240 1 19 VAL HA 1 19 VAL HB . . 2.760 2.458 2.429 2.470 . 0 0 "[ . 1 . 2]" 1
1241 1 19 VAL HA 1 73 CYS HB2 . . 4.430 3.321 2.796 4.080 . 0 0 "[ . 1 . 2]" 1
1242 1 19 VAL HA 1 73 CYS HA . . 3.100 2.663 2.004 3.095 . 0 0 "[ . 1 . 2]" 1
1243 1 19 VAL HA 1 28 LEU H . . 5.500 5.337 5.126 5.482 . 0 0 "[ . 1 . 2]" 1
1244 1 19 VAL HA 1 74 ASN H . . 5.500 4.721 4.098 5.526 0.026 8 0 "[ . 1 . 2]" 1
1245 1 19 VAL MG1 1 28 LEU HB2 . . 3.790 2.195 1.973 2.578 . 0 0 "[ . 1 . 2]" 1
1246 1 17 LEU HB3 1 19 VAL MG1 . . 4.090 3.871 3.773 3.950 . 0 0 "[ . 1 . 2]" 1
1247 1 19 VAL MG1 1 28 LEU HB3 . . 3.790 2.382 2.282 2.587 . 0 0 "[ . 1 . 2]" 1
1248 1 19 VAL MG1 1 73 CYS HB2 . . 3.440 2.938 2.435 3.385 . 0 0 "[ . 1 . 2]" 1
1249 1 18 PRO HA 1 19 VAL MG1 . . 4.710 3.861 3.760 3.955 . 0 0 "[ . 1 . 2]" 1
1250 1 19 VAL MG1 1 73 CYS HA . . 4.900 3.799 2.821 4.247 . 0 0 "[ . 1 . 2]" 1
1251 1 19 VAL MG1 1 20 THR H . . 3.790 3.763 3.673 3.799 0.009 13 0 "[ . 1 . 2]" 1
1252 1 19 VAL MG1 1 28 LEU H . . 3.570 2.606 2.286 2.824 . 0 0 "[ . 1 . 2]" 1
1253 1 19 VAL MG2 1 71 ILE MG . . 3.100 3.011 2.793 3.076 . 0 0 "[ . 1 . 2]" 1
1254 1 19 VAL MG2 1 28 LEU HB3 . . 3.930 3.639 3.465 3.797 . 0 0 "[ . 1 . 2]" 1
1255 1 18 PRO HA 1 19 VAL MG2 . . 3.880 3.778 3.717 3.863 . 0 0 "[ . 1 . 2]" 1
1256 1 19 VAL MG2 1 55 PHE HZ . . 3.220 2.777 2.589 3.049 . 0 0 "[ . 1 . 2]" 1
1257 1 19 VAL MG2 1 55 PHE QD . . 4.280 3.745 3.597 3.884 . 0 0 "[ . 1 . 2]" 1
1258 1 52 VAL HA 1 52 VAL MG2 . . 3.660 2.376 2.228 2.429 . 0 0 "[ . 1 . 2]" 1
1259 1 42 ILE HG13 1 52 VAL HA . . 4.140 3.642 3.342 3.967 . 0 0 "[ . 1 . 2]" 1
1260 1 52 VAL HA 1 55 PHE HB2 . . 4.190 4.040 3.723 4.218 0.028 18 0 "[ . 1 . 2]" 1
1261 1 52 VAL HA 1 55 PHE HB3 . . 3.700 3.665 3.528 3.731 0.031 18 0 "[ . 1 . 2]" 1
1262 1 52 VAL HA 1 56 LEU H . . 4.960 4.960 4.871 4.984 0.024 19 0 "[ . 1 . 2]" 1
1263 1 52 VAL HB 1 67 TRP HB2 . . 5.100 4.994 4.674 5.116 0.016 6 0 "[ . 1 . 2]" 1
1264 1 52 VAL H 1 52 VAL HB . . 3.640 2.701 2.645 2.803 . 0 0 "[ . 1 . 2]" 1
1265 1 41 CYS HG 1 52 VAL MG1 . . 5.100 4.878 4.677 5.109 0.009 18 0 "[ . 1 . 2]" 1
1266 1 52 VAL MG1 1 67 TRP HZ3 . . 4.800 3.903 3.398 4.326 . 0 0 "[ . 1 . 2]" 1
1267 1 52 VAL MG1 1 53 LYS H . . 3.950 3.626 3.506 3.795 . 0 0 "[ . 1 . 2]" 1
1268 1 52 VAL H 1 52 VAL MG1 . . 3.780 3.781 3.767 3.790 0.010 5 0 "[ . 1 . 2]" 1
1269 1 33 LEU MD1 1 52 VAL MG2 . . 5.420 2.373 2.017 2.545 . 0 0 "[ . 1 . 2]" 1
1270 1 41 CYS HG 1 52 VAL MG2 . . 5.100 2.344 2.192 2.547 . 0 0 "[ . 1 . 2]" 1
1271 1 52 VAL MG2 1 67 TRP HZ3 . . 4.800 4.164 3.863 4.483 . 0 0 "[ . 1 . 2]" 1
1272 1 56 LEU HB3 1 70 VAL MG2 . . 4.520 3.315 2.955 3.531 . 0 0 "[ . 1 . 2]" 1
1273 1 21 CYS HG 1 70 VAL MG2 . . 4.170 3.286 2.366 3.908 . 0 0 "[ . 1 . 2]" 1
1274 1 61 ARG HB3 1 70 VAL MG2 . . 4.310 3.417 2.930 4.343 0.033 11 0 "[ . 1 . 2]" 1
1275 1 67 TRP HB3 1 70 VAL MG2 . . 4.660 3.665 3.508 3.796 . 0 0 "[ . 1 . 2]" 1
1276 1 67 TRP HB2 1 70 VAL MG2 . . 4.080 3.369 3.272 3.486 . 0 0 "[ . 1 . 2]" 1
1277 1 64 SER HB3 1 70 VAL MG2 . . 4.250 3.580 3.076 4.211 . 0 0 "[ . 1 . 2]" 1
1278 1 64 SER HB2 1 70 VAL MG2 . . 4.250 3.860 2.982 4.259 0.009 7 0 "[ . 1 . 2]" 1
1279 1 67 TRP HA 1 70 VAL MG2 . . 2.780 1.892 1.789 1.964 . 0 0 "[ . 1 . 2]" 1
1280 1 70 VAL HA 1 70 VAL MG2 . . 3.200 3.193 3.182 3.201 0.001 14 0 "[ . 1 . 2]" 1
1281 1 70 VAL H 1 70 VAL MG2 . . 2.770 1.991 1.886 2.257 . 0 0 "[ . 1 . 2]" 1
1282 1 61 ARG HB2 1 70 VAL MG1 . . 4.260 3.515 3.274 3.881 . 0 0 "[ . 1 . 2]" 1
1283 1 56 LEU HB3 1 70 VAL MG1 . . 4.460 4.155 4.082 4.226 . 0 0 "[ . 1 . 2]" 1
1284 1 21 CYS HG 1 70 VAL MG1 . . 4.680 4.215 3.834 4.672 . 0 0 "[ . 1 . 2]" 1
1285 1 56 LEU HB2 1 70 VAL MG1 . . 5.500 5.499 5.453 5.514 0.014 16 0 "[ . 1 . 2]" 1
1286 1 61 ARG HB3 1 70 VAL MG1 . . 3.640 2.413 1.960 3.414 . 0 0 "[ . 1 . 2]" 1
1287 1 70 VAL MG1 1 71 ILE HG13 . . 4.730 4.638 4.576 4.698 . 0 0 "[ . 1 . 2]" 1
1288 1 61 ARG HD3 1 70 VAL MG1 . . 4.470 2.931 1.838 3.880 . 0 0 "[ . 1 . 2]" 1
1289 1 64 SER HB2 1 70 VAL MG1 . . 3.660 2.243 1.952 3.026 . 0 0 "[ . 1 . 2]" 1
1290 1 67 TRP HA 1 70 VAL MG1 . . 4.270 3.493 3.404 3.605 . 0 0 "[ . 1 . 2]" 1
1291 1 70 VAL HA 1 70 VAL MG1 . . 2.820 2.353 2.293 2.400 . 0 0 "[ . 1 . 2]" 1
1292 1 70 VAL MG1 1 71 ILE H . . 5.240 3.907 3.844 4.033 . 0 0 "[ . 1 . 2]" 1
1293 1 40 LYS HB3 1 49 TRP HB2 . . 3.780 2.446 2.358 2.528 . 0 0 "[ . 1 . 2]" 1
1294 1 40 LYS HB2 1 49 TRP HB2 . . 3.820 2.859 2.674 2.922 . 0 0 "[ . 1 . 2]" 1
1295 1 48 ASP HA 1 49 TRP HB2 . . 4.660 4.609 4.578 4.649 . 0 0 "[ . 1 . 2]" 1
1296 1 49 TRP HB2 1 49 TRP HE3 . . 4.110 4.046 4.021 4.073 . 0 0 "[ . 1 . 2]" 1
1297 1 40 LYS HD3 1 49 TRP HB3 . . 4.930 4.744 4.478 4.827 . 0 0 "[ . 1 . 2]" 1
1298 1 40 LYS HB2 1 49 TRP HB3 . . 3.640 2.719 2.533 2.841 . 0 0 "[ . 1 . 2]" 1
1299 1 49 TRP H 1 49 TRP HB3 . . 3.650 3.605 3.591 3.652 0.002 7 0 "[ . 1 . 2]" 1
1300 1 67 TRP HA 1 71 ILE MD . . 3.950 3.627 3.465 3.810 . 0 0 "[ . 1 . 2]" 1
1301 1 80 HIS HA 1 83 GLN HB2 . . 3.650 3.031 2.892 3.149 . 0 0 "[ . 1 . 2]" 1
1302 1 67 TRP HA 1 67 TRP HB3 . . 2.740 2.405 2.375 2.422 . 0 0 "[ . 1 . 2]" 1
1303 1 67 TRP HA 1 67 TRP HB2 . . 2.870 2.506 2.487 2.542 . 0 0 "[ . 1 . 2]" 1
1304 1 67 TRP HA 1 71 ILE HG13 . . 5.100 3.506 3.316 3.863 . 0 0 "[ . 1 . 2]" 1
1305 1 67 TRP HB2 1 71 ILE H . . 5.470 4.547 4.339 4.796 . 0 0 "[ . 1 . 2]" 1
1306 1 67 TRP HB3 1 71 ILE MD . . 3.890 3.579 3.452 3.867 . 0 0 "[ . 1 . 2]" 1
1307 1 67 TRP HB3 1 67 TRP HE3 . . 4.140 4.067 4.049 4.096 . 0 0 "[ . 1 . 2]" 1
1308 1 22 GLY HA3 1 23 LYS QG . . 3.950 3.678 3.322 3.946 . 0 0 "[ . 1 . 2]" 1
1309 1 22 GLY HA2 1 23 LYS QG . . 5.100 4.702 4.030 5.094 . 0 0 "[ . 1 . 2]" 1
1310 1 21 CYS HA 1 22 GLY HA2 . . 4.400 4.396 4.383 4.409 0.009 5 0 "[ . 1 . 2]" 1
1311 1 22 GLY HA2 1 24 ALA H . . 4.570 4.408 4.287 4.571 0.001 17 0 "[ . 1 . 2]" 1
1312 1 26 GLY HA2 1 42 ILE MG . . 4.240 3.902 3.677 4.242 0.002 6 0 "[ . 1 . 2]" 1
1313 1 26 GLY HA2 1 44 ASN HA . . 3.310 2.242 1.998 2.623 . 0 0 "[ . 1 . 2]" 1
1314 1 19 VAL MG2 1 26 GLY HA3 . . 3.640 3.197 2.937 3.454 . 0 0 "[ . 1 . 2]" 1
1315 1 26 GLY HA3 1 44 ASN HA . . 3.210 2.587 2.025 2.927 . 0 0 "[ . 1 . 2]" 1
1316 1 36 GLY HA3 1 37 ALA MB . . 5.000 4.604 4.503 4.715 . 0 0 "[ . 1 . 2]" 1
1317 1 36 GLY HA2 1 37 ALA MB . . 4.570 3.995 3.940 4.056 . 0 0 "[ . 1 . 2]" 1
1318 1 43 GLN HG3 1 47 GLY HA3 . . 4.810 4.450 4.209 4.786 . 0 0 "[ . 1 . 2]" 1
1319 1 46 ALA MB 1 47 GLY HA3 . . 5.260 4.320 4.208 4.424 . 0 0 "[ . 1 . 2]" 1
1320 1 43 GLN HE21 1 47 GLY HA3 . . 4.070 3.859 3.579 4.035 . 0 0 "[ . 1 . 2]" 1
1321 1 43 GLN HE22 1 47 GLY HA3 . . 4.550 4.372 4.109 4.549 . 0 0 "[ . 1 . 2]" 1
1322 1 43 GLN HG3 1 47 GLY HA2 . . 3.820 3.310 2.987 3.635 . 0 0 "[ . 1 . 2]" 1
1323 1 43 GLN HG2 1 47 GLY HA2 . . 3.350 2.153 2.000 2.441 . 0 0 "[ . 1 . 2]" 1
1324 1 43 GLN HB3 1 47 GLY HA2 . . 4.520 4.304 4.048 4.528 0.008 18 0 "[ . 1 . 2]" 1
1325 1 23 LYS QG 1 59 GLY HA2 . . 4.770 2.327 1.862 3.015 . 0 0 "[ . 1 . 2]" 1
1326 1 23 LYS QG 1 59 GLY HA3 . . 5.350 3.534 3.129 3.974 . 0 0 "[ . 1 . 2]" 1
1327 1 69 GLY HA2 1 79 ARG HB2 . . 5.100 4.525 4.051 4.964 . 0 0 "[ . 1 . 2]" 1
1328 1 69 GLY HA2 1 77 THR HB . . 3.400 2.657 1.994 2.897 . 0 0 "[ . 1 . 2]" 1
1329 1 69 GLY HA3 1 70 VAL MG2 . . 5.500 4.432 4.366 4.546 . 0 0 "[ . 1 . 2]" 1
1330 1 69 GLY HA3 1 70 VAL MG1 . . 5.500 3.881 3.809 3.991 . 0 0 "[ . 1 . 2]" 1
1331 1 69 GLY HA3 1 77 THR HB . . 4.650 4.405 3.720 4.650 . 0 0 "[ . 1 . 2]" 1
1332 1 72 ARG HB3 1 75 GLY HA2 . . 4.080 3.382 3.023 3.598 . 0 0 "[ . 1 . 2]" 1
1333 1 85 GLY HA3 1 86 LEU HG . . 5.060 4.433 4.226 4.521 . 0 0 "[ . 1 . 2]" 1
1334 1 85 GLY HA2 1 87 LEU H . . 4.510 4.048 3.925 4.355 . 0 0 "[ . 1 . 2]" 1
1335 1 38 SER HB2 1 39 LYS H . . 4.290 3.574 2.658 4.131 . 0 0 "[ . 1 . 2]" 1
1336 1 64 SER HA 1 70 VAL MG1 . . 4.650 4.129 3.716 4.656 0.006 11 0 "[ . 1 . 2]" 1
1337 1 61 ARG HB3 1 64 SER HB2 . . 4.650 2.880 2.190 3.768 . 0 0 "[ . 1 . 2]" 1
1338 1 64 SER HB3 1 70 VAL MG1 . . 3.660 2.210 1.959 2.703 . 0 0 "[ . 1 . 2]" 1
1339 1 61 ARG HB3 1 64 SER HB3 . . 4.650 3.177 2.080 4.064 . 0 0 "[ . 1 . 2]" 1
1340 1 89 SER HA 1 90 GLY H . . 3.210 2.759 2.712 2.808 . 0 0 "[ . 1 . 2]" 1
1341 1 33 LEU HG 1 89 SER HA . . 5.100 4.652 4.150 5.105 0.005 18 0 "[ . 1 . 2]" 1
1342 1 23 LYS HA 1 23 LYS HB3 . . 3.020 2.409 2.324 2.481 . 0 0 "[ . 1 . 2]" 1
1343 1 84 LYS HA 1 84 LYS QG . . 3.540 2.445 2.354 2.819 . 0 0 "[ . 1 . 2]" 1
1344 1 23 LYS H 1 23 LYS HB2 . . 3.730 3.398 2.679 3.725 . 0 0 "[ . 1 . 2]" 1
1345 1 23 LYS HB3 1 24 ALA H . . 4.590 4.507 4.422 4.592 0.002 19 0 "[ . 1 . 2]" 1
1346 1 23 LYS H 1 23 LYS HB3 . . 3.730 3.175 2.857 3.689 . 0 0 "[ . 1 . 2]" 1
1347 1 25 LYS HA 1 25 LYS HG2 . . 3.880 2.814 2.514 3.712 . 0 0 "[ . 1 . 2]" 1
1348 1 23 LYS HA 1 23 LYS QD . . 4.380 3.634 2.125 4.378 . 0 0 "[ . 1 . 2]" 1
1349 1 23 LYS HA 1 23 LYS QE . . 5.500 4.571 3.536 5.338 . 0 0 "[ . 1 . 2]" 1
1350 1 65 LYS HA 1 65 LYS QE . . 5.500 4.334 3.692 4.868 . 0 0 "[ . 1 . 2]" 1
1351 1 19 VAL MG2 1 25 LYS HA . . 4.370 4.114 3.756 4.292 . 0 0 "[ . 1 . 2]" 1
1352 1 24 ALA MB 1 25 LYS HA . . 4.080 3.902 3.795 3.969 . 0 0 "[ . 1 . 2]" 1
1353 1 20 THR MG 1 25 LYS HA . . 3.240 2.489 2.049 2.777 . 0 0 "[ . 1 . 2]" 1
1354 1 20 THR HB 1 25 LYS HA . . 4.070 3.891 3.632 4.076 0.006 2 0 "[ . 1 . 2]" 1
1355 1 21 CYS H 1 25 LYS HA . . 3.820 3.367 2.941 3.525 . 0 0 "[ . 1 . 2]" 1
1356 1 20 THR MG 1 25 LYS HB2 . . 4.090 3.700 1.898 4.057 . 0 0 "[ . 1 . 2]" 1
1357 1 25 LYS HB2 1 26 GLY H . . 4.090 3.924 2.776 4.089 . 0 0 "[ . 1 . 2]" 1
1358 1 20 THR MG 1 25 LYS HB3 . . 4.090 2.571 1.972 2.841 . 0 0 "[ . 1 . 2]" 1
1359 1 25 LYS HB3 1 25 LYS QE . . 4.280 3.140 1.988 4.151 . 0 0 "[ . 1 . 2]" 1
1360 1 25 LYS H 1 25 LYS HB3 . . 3.940 3.814 3.161 3.910 . 0 0 "[ . 1 . 2]" 1
1361 1 25 LYS HB3 1 26 GLY H . . 4.090 3.223 3.038 4.111 0.021 2 0 "[ . 1 . 2]" 1
1362 1 25 LYS HA 1 25 LYS HG3 . . 3.880 3.151 2.533 3.790 . 0 0 "[ . 1 . 2]" 1
1363 1 25 LYS QE 1 25 LYS HG3 . . 3.640 2.740 2.078 3.460 . 0 0 "[ . 1 . 2]" 1
1364 1 25 LYS QE 1 25 LYS HG2 . . 3.640 2.781 2.132 3.478 . 0 0 "[ . 1 . 2]" 1
1365 1 25 LYS HB2 1 25 LYS QE . . 4.280 3.096 2.090 4.082 . 0 0 "[ . 1 . 2]" 1
1366 1 32 LYS HA 1 32 LYS HG2 . . 2.870 2.777 2.713 2.874 0.004 18 0 "[ . 1 . 2]" 1
1367 1 32 LYS HA 1 32 LYS HB3 . . 2.870 2.639 2.569 2.662 . 0 0 "[ . 1 . 2]" 1
1368 1 32 LYS HA 1 33 LEU HB2 . . 5.500 5.589 5.546 5.646 0.146 13 0 "[ . 1 . 2]" 1
1369 1 31 GLU QB 1 32 LYS HA . . 4.940 4.380 4.231 4.502 . 0 0 "[ . 1 . 2]" 1
1370 1 32 LYS HA 1 35 GLN HB2 . . 5.250 4.111 3.693 4.592 . 0 0 "[ . 1 . 2]" 1
1371 1 32 LYS HA 1 35 GLN H . . 4.450 3.995 3.641 4.213 . 0 0 "[ . 1 . 2]" 1
1372 1 29 PHE HB3 1 32 LYS HB2 . . 3.610 3.015 2.904 3.178 . 0 0 "[ . 1 . 2]" 1
1373 1 32 LYS HB2 1 33 LEU H . . 3.730 3.435 3.169 3.609 . 0 0 "[ . 1 . 2]" 1
1374 1 29 PHE HB2 1 32 LYS HB3 . . 3.930 3.601 3.547 3.726 . 0 0 "[ . 1 . 2]" 1
1375 1 32 LYS HB3 1 41 CYS HA . . 3.400 2.331 2.072 2.540 . 0 0 "[ . 1 . 2]" 1
1376 1 32 LYS H 1 32 LYS HB3 . . 3.600 3.518 3.500 3.576 . 0 0 "[ . 1 . 2]" 1
1377 1 32 LYS HB3 1 33 LEU H . . 4.240 3.945 3.712 4.126 . 0 0 "[ . 1 . 2]" 1
1378 1 32 LYS HA 1 32 LYS HG3 . . 3.450 2.456 2.412 2.537 . 0 0 "[ . 1 . 2]" 1
1379 1 32 LYS H 1 32 LYS HG2 . . 4.320 4.284 4.179 4.330 0.010 3 0 "[ . 1 . 2]" 1
1380 1 29 PHE HB2 1 32 LYS HD3 . . 3.930 3.484 3.190 3.813 . 0 0 "[ . 1 . 2]" 1
1381 1 32 LYS HA 1 32 LYS HD3 . . 4.620 4.585 4.547 4.640 0.020 18 0 "[ . 1 . 2]" 1
1382 1 32 LYS HD3 1 41 CYS HA . . 3.720 2.757 2.482 3.148 . 0 0 "[ . 1 . 2]" 1
1383 1 79 ARG HB2 1 79 ARG HE . . 5.500 3.072 2.406 4.001 . 0 0 "[ . 1 . 2]" 1
1384 1 32 LYS HB3 1 32 LYS HD2 . . 3.570 3.315 3.212 3.440 . 0 0 "[ . 1 . 2]" 1
1385 1 32 LYS HB2 1 32 LYS HD2 . . 3.500 2.283 2.183 2.414 . 0 0 "[ . 1 . 2]" 1
1386 1 32 LYS HA 1 32 LYS HD2 . . 4.530 4.375 4.334 4.443 . 0 0 "[ . 1 . 2]" 1
1387 1 32 LYS HD2 1 41 CYS HA . . 3.970 3.649 3.331 3.976 0.006 18 0 "[ . 1 . 2]" 1
1388 1 32 LYS H 1 32 LYS HD2 . . 4.280 3.612 3.348 3.771 . 0 0 "[ . 1 . 2]" 1
1389 1 34 LYS QD 1 34 LYS HG3 . . 2.740 2.337 2.156 2.477 . 0 0 "[ . 1 . 2]" 1
1390 1 34 LYS QD 1 34 LYS HG2 . . 2.740 2.312 2.155 2.475 . 0 0 "[ . 1 . 2]" 1
1391 1 34 LYS HA 1 34 LYS QD . . 4.680 4.083 3.794 4.477 . 0 0 "[ . 1 . 2]" 1
1392 1 81 LEU HA 1 84 LYS QD . . 5.050 2.783 2.472 4.938 . 0 0 "[ . 1 . 2]" 1
1393 1 34 LYS QB 1 34 LYS QE . . 3.820 2.961 1.976 3.654 . 0 0 "[ . 1 . 2]" 1
1394 1 34 LYS HA 1 34 LYS QE . . 5.500 4.613 3.966 5.558 0.058 11 0 "[ . 1 . 2]" 1
1395 1 31 GLU HA 1 34 LYS QE . . 4.820 3.448 1.990 4.782 . 0 0 "[ . 1 . 2]" 1
1396 1 39 LYS H 1 39 LYS HG2 . . 4.090 2.882 2.043 4.146 0.056 15 0 "[ . 1 . 2]" 1
1397 1 39 LYS HA 1 39 LYS HG2 . . 3.940 2.932 2.296 3.600 . 0 0 "[ . 1 . 2]" 1
1398 1 39 LYS HA 1 39 LYS HG3 . . 3.940 3.353 2.358 3.861 . 0 0 "[ . 1 . 2]" 1
1399 1 35 GLN HB2 1 39 LYS QD . . 4.700 3.702 2.234 4.716 0.016 19 0 "[ . 1 . 2]" 1
1400 1 39 LYS HA 1 39 LYS QD . . 3.590 2.898 2.014 3.621 0.031 5 0 "[ . 1 . 2]" 1
1401 1 39 LYS QD 1 40 LYS H . . 5.350 4.177 3.572 5.094 . 0 0 "[ . 1 . 2]" 1
1402 1 40 LYS HA 1 40 LYS HD3 . . 3.180 2.703 2.604 2.852 . 0 0 "[ . 1 . 2]" 1
1403 1 40 LYS HA 1 41 CYS HG . . 5.070 4.806 4.625 5.030 . 0 0 "[ . 1 . 2]" 1
1404 1 40 LYS HA 1 49 TRP HB3 . . 4.080 3.782 3.726 3.849 . 0 0 "[ . 1 . 2]" 1
1405 1 40 LYS HA 1 40 LYS QE . . 5.260 4.406 4.312 4.553 . 0 0 "[ . 1 . 2]" 1
1406 1 40 LYS HA 1 49 TRP HB2 . . 5.500 4.790 4.695 4.874 . 0 0 "[ . 1 . 2]" 1
1407 1 40 LYS HA 1 51 THR HA . . 2.940 2.224 2.118 2.283 . 0 0 "[ . 1 . 2]" 1
1408 1 40 LYS HA 1 42 ILE H . . 3.660 3.495 3.404 3.558 . 0 0 "[ . 1 . 2]" 1
1409 1 40 LYS HB3 1 49 TRP HB3 . . 3.310 1.985 1.968 1.997 . 0 0 "[ . 1 . 2]" 1
1410 1 40 LYS H 1 40 LYS HB3 . . 3.720 3.585 3.581 3.597 . 0 0 "[ . 1 . 2]" 1
1411 1 40 LYS HA 1 40 LYS HG2 . . 3.720 2.887 2.834 2.946 . 0 0 "[ . 1 . 2]" 1
1412 1 40 LYS QE 1 40 LYS HG2 . . 3.820 2.620 2.432 3.148 . 0 0 "[ . 1 . 2]" 1
1413 1 40 LYS H 1 40 LYS HG2 . . 4.340 1.894 1.872 1.961 . 0 0 "[ . 1 . 2]" 1
1414 1 40 LYS HG2 1 51 THR MG . . 3.720 2.239 1.951 2.416 . 0 0 "[ . 1 . 2]" 1
1415 1 40 LYS HB2 1 40 LYS HG2 . . 2.950 2.659 2.631 2.690 . 0 0 "[ . 1 . 2]" 1
1416 1 40 LYS HG2 1 49 TRP HB3 . . 4.850 4.838 4.763 4.871 0.021 19 0 "[ . 1 . 2]" 1
1417 1 40 LYS HA 1 40 LYS HG3 . . 3.910 3.876 3.859 3.906 . 0 0 "[ . 1 . 2]" 1
1418 1 23 LYS HA 1 23 LYS QG . . 3.440 3.249 2.571 3.436 . 0 0 "[ . 1 . 2]" 1
1419 1 40 LYS H 1 40 LYS HD2 . . 4.580 4.545 4.504 4.594 0.014 15 0 "[ . 1 . 2]" 1
1420 1 40 LYS HD2 1 50 LEU HA . . 4.280 2.051 1.991 2.285 . 0 0 "[ . 1 . 2]" 1
1421 1 40 LYS HA 1 40 LYS HD2 . . 3.720 3.487 3.412 3.688 . 0 0 "[ . 1 . 2]" 1
1422 1 40 LYS HD2 1 49 TRP HB3 . . 3.920 3.796 3.730 3.929 0.009 12 0 "[ . 1 . 2]" 1
1423 1 40 LYS HB2 1 40 LYS HD2 . . 3.450 3.436 3.378 3.485 0.035 10 0 "[ . 1 . 2]" 1
1424 1 40 LYS HD2 1 51 THR MG . . 3.720 3.257 3.170 3.467 . 0 0 "[ . 1 . 2]" 1
1425 1 53 LYS HA 1 53 LYS HG3 . . 3.660 2.790 2.287 3.552 . 0 0 "[ . 1 . 2]" 1
1426 1 53 LYS HA 1 53 LYS QB . . 2.630 2.437 2.341 2.483 . 0 0 "[ . 1 . 2]" 1
1427 1 52 VAL MG1 1 53 LYS QB . . 5.420 4.349 4.074 4.740 . 0 0 "[ . 1 . 2]" 1
1428 1 53 LYS QB 1 54 GLU HB2 . . 5.180 4.401 4.284 4.501 . 0 0 "[ . 1 . 2]" 1
1429 1 53 LYS QB 1 54 GLU QG . . 5.360 3.821 3.525 4.664 . 0 0 "[ . 1 . 2]" 1
1430 1 53 LYS QB 1 53 LYS QE . . 3.930 2.851 2.060 3.665 . 0 0 "[ . 1 . 2]" 1
1431 1 53 LYS HA 1 53 LYS HG2 . . 3.660 2.844 2.265 3.664 0.004 7 0 "[ . 1 . 2]" 1
1432 1 53 LYS H 1 53 LYS HG2 . . 4.920 4.327 3.676 4.684 . 0 0 "[ . 1 . 2]" 1
1433 1 53 LYS H 1 53 LYS HG3 . . 4.920 4.007 2.754 4.702 . 0 0 "[ . 1 . 2]" 1
1434 1 68 LYS HA 1 68 LYS HG3 . . 3.400 2.926 2.835 3.075 . 0 0 "[ . 1 . 2]" 1
1435 1 68 LYS HA 1 68 LYS HG2 . . 3.120 2.609 2.451 2.822 . 0 0 "[ . 1 . 2]" 1
1436 1 68 LYS HA 1 68 LYS HB3 . . 2.900 2.508 2.449 2.548 . 0 0 "[ . 1 . 2]" 1
1437 1 68 LYS HA 1 78 LEU HB2 . . 2.840 2.392 2.217 2.515 . 0 0 "[ . 1 . 2]" 1
1438 1 67 TRP HZ3 1 68 LYS HA . . 4.080 3.991 3.784 4.090 0.010 5 0 "[ . 1 . 2]" 1
1439 1 68 LYS HB2 1 79 ARG HB2 . . 3.500 3.177 2.727 3.442 . 0 0 "[ . 1 . 2]" 1
1440 1 68 LYS HB2 1 79 ARG HB3 . . 5.050 4.581 3.976 4.988 . 0 0 "[ . 1 . 2]" 1
1441 1 68 LYS HB2 1 78 LEU HB2 . . 4.300 3.964 3.785 4.276 . 0 0 "[ . 1 . 2]" 1
1442 1 68 LYS HB2 1 79 ARG H . . 4.240 3.992 3.596 4.226 . 0 0 "[ . 1 . 2]" 1
1443 1 68 LYS HB3 1 79 ARG HB2 . . 3.310 2.644 2.404 2.819 . 0 0 "[ . 1 . 2]" 1
1444 1 68 LYS HB3 1 79 ARG HB3 . . 4.270 3.818 3.560 4.112 . 0 0 "[ . 1 . 2]" 1
1445 1 68 LYS HB3 1 79 ARG HA . . 3.720 3.451 3.227 3.567 . 0 0 "[ . 1 . 2]" 1
1446 1 68 LYS HB3 1 69 GLY H . . 5.120 3.929 3.821 4.126 . 0 0 "[ . 1 . 2]" 1
1447 1 68 LYS HE2 1 68 LYS HG3 . . 3.620 2.890 2.373 3.344 . 0 0 "[ . 1 . 2]" 1
1448 1 68 LYS HE2 1 68 LYS HG2 . . 3.800 2.737 2.394 2.907 . 0 0 "[ . 1 . 2]" 1
1449 1 67 TRP HZ2 1 68 LYS HE2 . . 3.700 2.571 2.006 3.672 . 0 0 "[ . 1 . 2]" 1
1450 1 68 LYS HE3 1 68 LYS HG3 . . 3.620 2.501 2.238 3.625 0.005 9 0 "[ . 1 . 2]" 1
1451 1 68 LYS HE3 1 68 LYS HG2 . . 3.800 3.237 2.766 3.777 . 0 0 "[ . 1 . 2]" 1
1452 1 67 TRP HZ2 1 68 LYS HE3 . . 3.700 2.632 2.057 3.592 . 0 0 "[ . 1 . 2]" 1
1453 1 84 LYS HA 1 84 LYS HB3 . . 2.810 2.528 2.435 2.589 . 0 0 "[ . 1 . 2]" 1
1454 1 84 LYS HA 1 86 LEU HG . . 4.540 4.251 4.156 4.521 . 0 0 "[ . 1 . 2]" 1
1455 1 81 LEU HA 1 84 LYS HB3 . . 4.690 4.592 4.395 4.691 0.001 6 0 "[ . 1 . 2]" 1
1456 1 84 LYS HB3 1 86 LEU MD1 . . 3.310 2.639 2.165 2.959 . 0 0 "[ . 1 . 2]" 1
1457 1 84 LYS HB2 1 86 LEU MD1 . . 4.150 2.123 1.892 2.291 . 0 0 "[ . 1 . 2]" 1
1458 1 84 LYS HB2 1 86 LEU HG . . 2.820 2.264 2.154 2.490 . 0 0 "[ . 1 . 2]" 1
1459 1 84 LYS HB3 1 84 LYS QD . . 3.400 2.991 2.515 3.084 . 0 0 "[ . 1 . 2]" 1
1460 1 84 LYS HA 1 84 LYS QD . . 4.130 4.016 2.288 4.125 . 0 0 "[ . 1 . 2]" 1
1461 1 83 GLN H 1 84 LYS QD . . 5.500 5.139 4.970 5.545 0.045 19 0 "[ . 1 . 2]" 1
1462 1 84 LYS HB3 1 84 LYS HE2 . . 4.680 3.244 2.469 4.049 . 0 0 "[ . 1 . 2]" 1
1463 1 84 LYS HE3 1 86 LEU MD1 . . 4.460 2.989 1.978 3.978 . 0 0 "[ . 1 . 2]" 1
1464 1 84 LYS HB3 1 84 LYS HE3 . . 4.680 2.908 2.092 3.761 . 0 0 "[ . 1 . 2]" 1
1465 1 17 LEU HB3 1 17 LEU MD1 . . 2.900 2.443 2.314 2.520 . 0 0 "[ . 1 . 2]" 1
1466 1 17 LEU HB3 1 28 LEU HB3 . . 4.650 4.556 4.426 4.653 0.003 13 0 "[ . 1 . 2]" 1
1467 1 17 LEU HB3 1 18 PRO HG2 . . 5.500 4.196 4.107 4.276 . 0 0 "[ . 1 . 2]" 1
1468 1 17 LEU HB3 1 73 CYS HB3 . . 5.500 5.123 4.680 5.407 . 0 0 "[ . 1 . 2]" 1
1469 1 17 LEU HB2 1 17 LEU MD2 . . 3.570 3.185 3.172 3.196 . 0 0 "[ . 1 . 2]" 1
1470 1 17 LEU HB2 1 28 LEU HB3 . . 3.210 2.883 2.763 2.971 . 0 0 "[ . 1 . 2]" 1
1471 1 17 LEU HA 1 17 LEU HG . . 3.640 3.161 3.118 3.196 . 0 0 "[ . 1 . 2]" 1
1472 1 17 LEU H 1 17 LEU HG . . 3.720 2.911 2.842 2.971 . 0 0 "[ . 1 . 2]" 1
1473 1 17 LEU HB3 1 17 LEU MD2 . . 2.890 2.303 2.200 2.393 . 0 0 "[ . 1 . 2]" 1
1474 1 17 LEU MD2 1 30 GLN HG2 . . 4.660 4.620 4.525 4.667 0.007 1 0 "[ . 1 . 2]" 1
1475 1 17 LEU MD2 1 18 PRO HG2 . . 5.020 4.826 4.700 4.931 . 0 0 "[ . 1 . 2]" 1
1476 1 17 LEU MD2 1 18 PRO HD2 . . 3.400 2.899 2.729 3.073 . 0 0 "[ . 1 . 2]" 1
1477 1 17 LEU MD2 1 18 PRO HD3 . . 3.750 3.582 3.480 3.712 . 0 0 "[ . 1 . 2]" 1
1478 1 17 LEU HA 1 17 LEU MD2 . . 2.720 2.148 2.006 2.335 . 0 0 "[ . 1 . 2]" 1
1479 1 17 LEU MD2 1 30 GLN HE22 . . 4.490 4.328 4.114 4.492 0.002 13 0 "[ . 1 . 2]" 1
1480 1 17 LEU MD2 1 30 GLN HE21 . . 4.630 4.432 4.178 4.634 0.004 17 0 "[ . 1 . 2]" 1
1481 1 17 LEU MD2 1 30 GLN H . . 5.500 5.472 5.362 5.506 0.006 2 0 "[ . 1 . 2]" 1
1482 1 17 LEU H 1 17 LEU MD2 . . 3.870 3.785 3.699 3.870 0.000 11 0 "[ . 1 . 2]" 1
1483 1 17 LEU HB2 1 17 LEU MD1 . . 2.900 2.203 2.142 2.333 . 0 0 "[ . 1 . 2]" 1
1484 1 17 LEU MD1 1 28 LEU HB3 . . 4.770 3.892 3.711 4.127 . 0 0 "[ . 1 . 2]" 1
1485 1 17 LEU MD1 1 30 GLN HG2 . . 3.640 3.045 2.729 3.229 . 0 0 "[ . 1 . 2]" 1
1486 1 17 LEU MD1 1 30 GLN HG3 . . 4.040 3.914 3.669 4.070 0.030 19 0 "[ . 1 . 2]" 1
1487 1 17 LEU MD1 1 73 CYS HB3 . . 5.350 5.154 4.776 5.362 0.012 8 0 "[ . 1 . 2]" 1
1488 1 17 LEU MD1 1 73 CYS HB2 . . 5.100 4.760 4.373 5.101 0.001 13 0 "[ . 1 . 2]" 1
1489 1 17 LEU MD1 1 30 GLN HA . . 5.350 5.154 4.895 5.344 . 0 0 "[ . 1 . 2]" 1
1490 1 17 LEU MD1 1 87 LEU HA . . 4.080 3.199 2.905 3.421 . 0 0 "[ . 1 . 2]" 1
1491 1 17 LEU HA 1 17 LEU MD1 . . 3.950 3.919 3.894 3.940 . 0 0 "[ . 1 . 2]" 1
1492 1 17 LEU MD1 1 30 GLN HE22 . . 3.820 3.089 2.617 3.323 . 0 0 "[ . 1 . 2]" 1
1493 1 17 LEU H 1 17 LEU MD1 . . 4.280 4.064 3.993 4.126 . 0 0 "[ . 1 . 2]" 1
1494 1 17 LEU MD1 1 87 LEU HB2 . . 4.550 3.561 3.320 3.722 . 0 0 "[ . 1 . 2]" 1
1495 1 19 VAL MG2 1 28 LEU HB2 . . 3.560 2.942 2.711 3.142 . 0 0 "[ . 1 . 2]" 1
1496 1 28 LEU HB2 1 42 ILE HG12 . . 3.830 2.834 2.656 2.976 . 0 0 "[ . 1 . 2]" 1
1497 1 17 LEU H 1 28 LEU HB2 . . 4.920 4.928 4.891 4.951 0.031 19 0 "[ . 1 . 2]" 1
1498 1 28 LEU HB2 1 28 LEU HG . . 2.970 2.974 2.971 2.977 0.007 15 0 "[ . 1 . 2]" 1
1499 1 28 LEU HB3 1 28 LEU HG . . 3.010 2.671 2.664 2.677 . 0 0 "[ . 1 . 2]" 1
1500 1 28 LEU HG 1 30 GLN HA . . 3.930 3.721 3.679 3.772 . 0 0 "[ . 1 . 2]" 1
1501 1 28 LEU MD1 1 42 ILE MG . . 4.620 4.418 4.151 4.595 . 0 0 "[ . 1 . 2]" 1
1502 1 28 LEU HB2 1 28 LEU MD1 . . 2.790 2.088 2.009 2.200 . 0 0 "[ . 1 . 2]" 1
1503 1 86 LEU HB2 1 86 LEU MD1 . . 3.300 2.193 2.054 2.335 . 0 0 "[ . 1 . 2]" 1
1504 1 28 LEU MD1 1 33 LEU HB2 . . 2.990 2.176 2.015 2.452 . 0 0 "[ . 1 . 2]" 1
1505 1 28 LEU HB3 1 28 LEU MD1 . . 3.600 3.116 3.104 3.129 . 0 0 "[ . 1 . 2]" 1
1506 1 28 LEU MD1 1 41 CYS HB3 . . 3.980 3.764 3.451 3.981 0.001 16 0 "[ . 1 . 2]" 1
1507 1 28 LEU MD1 1 41 CYS HB2 . . 3.400 2.771 2.297 3.121 . 0 0 "[ . 1 . 2]" 1
1508 1 28 LEU MD1 1 42 ILE HA . . 4.020 3.866 3.623 4.030 0.010 10 0 "[ . 1 . 2]" 1
1509 1 28 LEU MD1 1 67 TRP HZ3 . . 4.080 3.209 2.919 3.549 . 0 0 "[ . 1 . 2]" 1
1510 1 28 LEU MD1 1 33 LEU H . . 4.830 4.408 4.050 4.651 . 0 0 "[ . 1 . 2]" 1
1511 1 28 LEU MD1 1 29 PHE H . . 3.070 2.932 2.758 3.073 0.003 4 0 "[ . 1 . 2]" 1
1512 1 28 LEU HB2 1 28 LEU MD2 . . 3.670 2.670 2.638 2.708 . 0 0 "[ . 1 . 2]" 1
1513 1 28 LEU HB3 1 28 LEU MD2 . . 2.790 2.002 1.965 2.151 . 0 0 "[ . 1 . 2]" 1
1514 1 28 LEU MD2 1 30 GLN HB3 . . 4.940 4.681 4.511 4.795 . 0 0 "[ . 1 . 2]" 1
1515 1 28 LEU MD2 1 30 GLN HG3 . . 4.650 4.499 4.387 4.615 . 0 0 "[ . 1 . 2]" 1
1516 1 28 LEU MD2 1 30 GLN HA . . 3.610 3.578 3.499 3.622 0.012 10 0 "[ . 1 . 2]" 1
1517 1 28 LEU MD2 1 67 TRP HZ3 . . 4.280 3.269 2.996 3.555 . 0 0 "[ . 1 . 2]" 1
1518 1 28 LEU MD2 1 88 PHE QD . . 4.840 4.157 3.927 4.332 . 0 0 "[ . 1 . 2]" 1
1519 1 28 LEU MD2 1 30 GLN H . . 4.080 3.889 3.845 3.976 . 0 0 "[ . 1 . 2]" 1
1520 1 28 LEU MD2 1 29 PHE H . . 4.400 4.266 4.190 4.343 . 0 0 "[ . 1 . 2]" 1
1521 1 28 LEU H 1 28 LEU MD2 . . 4.090 4.047 3.999 4.111 0.021 6 0 "[ . 1 . 2]" 1
1522 1 33 LEU HA 1 33 LEU HB2 . . 2.860 2.496 2.429 2.561 . 0 0 "[ . 1 . 2]" 1
1523 1 33 LEU HA 1 41 CYS HB2 . . 3.870 3.704 3.424 3.868 . 0 0 "[ . 1 . 2]" 1
1524 1 33 LEU HA 1 34 LYS H . . 3.560 3.512 3.482 3.547 . 0 0 "[ . 1 . 2]" 1
1525 1 33 LEU HB3 1 33 LEU HG . . 3.010 2.498 2.440 2.556 . 0 0 "[ . 1 . 2]" 1
1526 1 30 GLN HA 1 33 LEU HB3 . . 4.030 2.217 2.068 2.377 . 0 0 "[ . 1 . 2]" 1
1527 1 33 LEU HB2 1 34 LYS H . . 4.100 3.876 3.724 4.009 . 0 0 "[ . 1 . 2]" 1
1528 1 33 LEU HG 1 88 PHE HZ . . 4.920 3.385 2.701 3.823 . 0 0 "[ . 1 . 2]" 1
1529 1 33 LEU MD1 1 52 VAL MG1 . . 5.420 3.823 3.419 4.024 . 0 0 "[ . 1 . 2]" 1
1530 1 33 LEU HB2 1 33 LEU MD1 . . 3.180 2.283 2.187 2.374 . 0 0 "[ . 1 . 2]" 1
1531 1 33 LEU HB3 1 33 LEU MD1 . . 3.200 3.185 3.175 3.197 . 0 0 "[ . 1 . 2]" 1
1532 1 33 LEU MD1 1 41 CYS HB2 . . 4.830 3.445 2.821 3.748 . 0 0 "[ . 1 . 2]" 1
1533 1 33 LEU HA 1 33 LEU MD1 . . 3.930 2.132 1.960 2.274 . 0 0 "[ . 1 . 2]" 1
1534 1 33 LEU MD1 1 67 TRP HZ3 . . 4.770 3.903 3.538 4.200 . 0 0 "[ . 1 . 2]" 1
1535 1 33 LEU MD2 1 52 VAL MG2 . . 5.420 3.974 3.644 4.279 . 0 0 "[ . 1 . 2]" 1
1536 1 33 LEU MD2 1 52 VAL MG1 . . 5.420 4.979 4.672 5.229 . 0 0 "[ . 1 . 2]" 1
1537 1 33 LEU HB2 1 33 LEU MD2 . . 3.180 2.433 2.291 2.554 . 0 0 "[ . 1 . 2]" 1
1538 1 33 LEU HB3 1 33 LEU MD2 . . 3.200 2.249 2.121 2.345 . 0 0 "[ . 1 . 2]" 1
1539 1 33 LEU MD2 1 41 CYS HB2 . . 4.830 4.674 4.409 4.833 0.003 3 0 "[ . 1 . 2]" 1
1540 1 33 LEU HA 1 33 LEU MD2 . . 3.930 3.869 3.830 3.919 . 0 0 "[ . 1 . 2]" 1
1541 1 33 LEU MD2 1 67 TRP HZ3 . . 4.770 3.517 3.110 3.959 . 0 0 "[ . 1 . 2]" 1
1542 1 33 LEU MD2 1 67 TRP HH2 . . 3.510 2.390 2.076 2.816 . 0 0 "[ . 1 . 2]" 1
1543 1 40 LYS HD3 1 50 LEU HA . . 3.820 2.475 2.040 2.658 . 0 0 "[ . 1 . 2]" 1
1544 1 50 LEU HA 1 54 GLU HB3 . . 3.930 3.718 3.443 3.939 0.009 19 0 "[ . 1 . 2]" 1
1545 1 50 LEU HB3 1 50 LEU MD2 . . 3.310 2.316 2.042 3.167 . 0 0 "[ . 1 . 2]" 1
1546 1 42 ILE HB 1 50 LEU HB3 . . 4.280 4.166 4.055 4.287 0.007 13 0 "[ . 1 . 2]" 1
1547 1 50 LEU HB3 1 54 GLU HB3 . . 3.450 2.251 2.029 2.413 . 0 0 "[ . 1 . 2]" 1
1548 1 50 LEU HB3 1 55 PHE HB2 . . 3.850 3.491 3.084 3.843 . 0 0 "[ . 1 . 2]" 1
1549 1 50 LEU H 1 50 LEU HB3 . . 3.930 3.877 3.824 3.904 . 0 0 "[ . 1 . 2]" 1
1550 1 42 ILE MD 1 50 LEU HB2 . . 4.280 3.893 3.545 4.036 . 0 0 "[ . 1 . 2]" 1
1551 1 50 LEU HB2 1 54 GLU HB3 . . 4.160 3.960 3.689 4.149 . 0 0 "[ . 1 . 2]" 1
1552 1 50 LEU HB2 1 51 THR H . . 4.060 3.935 3.879 3.998 . 0 0 "[ . 1 . 2]" 1
1553 1 44 ASN HB3 1 50 LEU HG . . 4.280 3.890 3.591 4.151 . 0 0 "[ . 1 . 2]" 1
1554 1 49 TRP HA 1 50 LEU HG . . 5.350 3.822 3.450 5.426 0.076 7 0 "[ . 1 . 2]" 1
1555 1 50 LEU HA 1 50 LEU HG . . 3.820 3.004 2.803 3.752 . 0 0 "[ . 1 . 2]" 1
1556 1 50 LEU H 1 50 LEU HG . . 4.380 3.321 3.046 4.375 . 0 0 "[ . 1 . 2]" 1
1557 1 50 LEU HB3 1 50 LEU MD1 . . 3.310 2.601 2.442 2.691 . 0 0 "[ . 1 . 2]" 1
1558 1 48 ASP HB2 1 50 LEU MD1 . . 4.790 4.160 3.628 4.483 . 0 0 "[ . 1 . 2]" 1
1559 1 50 LEU HA 1 50 LEU MD1 . . 3.960 3.629 1.919 3.947 . 0 0 "[ . 1 . 2]" 1
1560 1 44 ASN HD22 1 50 LEU MD1 . . 4.930 4.042 3.494 4.523 . 0 0 "[ . 1 . 2]" 1
1561 1 50 LEU MD1 1 55 PHE H . . 4.770 3.988 3.689 4.400 . 0 0 "[ . 1 . 2]" 1
1562 1 44 ASN HD21 1 50 LEU MD1 . . 4.480 3.140 2.582 4.017 . 0 0 "[ . 1 . 2]" 1
1563 1 50 LEU H 1 50 LEU MD1 . . 4.340 3.808 3.389 4.029 . 0 0 "[ . 1 . 2]" 1
1564 1 48 ASP HB2 1 50 LEU MD2 . . 4.790 4.140 3.631 4.551 . 0 0 "[ . 1 . 2]" 1
1565 1 50 LEU MD2 1 55 PHE HA . . 4.310 3.958 3.716 4.321 0.011 8 0 "[ . 1 . 2]" 1
1566 1 50 LEU HA 1 50 LEU MD2 . . 3.960 2.532 2.154 3.266 . 0 0 "[ . 1 . 2]" 1
1567 1 44 ASN HD21 1 50 LEU MD2 . . 4.480 4.067 2.451 4.480 0.000 2 0 "[ . 1 . 2]" 1
1568 1 56 LEU HA 1 58 GLU H . . 4.390 4.240 4.144 4.322 . 0 0 "[ . 1 . 2]" 1
1569 1 56 LEU HA 1 57 ASN H . . 3.570 3.564 3.556 3.571 0.001 8 0 "[ . 1 . 2]" 1
1570 1 53 LYS HA 1 56 LEU HB2 . . 3.720 3.547 3.427 3.666 . 0 0 "[ . 1 . 2]" 1
1571 1 56 LEU H 1 56 LEU HB2 . . 2.920 2.728 2.652 2.805 . 0 0 "[ . 1 . 2]" 1
1572 1 56 LEU HB3 1 61 ARG HB3 . . 3.930 3.214 2.593 3.661 . 0 0 "[ . 1 . 2]" 1
1573 1 53 LYS HA 1 56 LEU HB3 . . 4.830 4.788 4.733 4.842 0.012 20 0 "[ . 1 . 2]" 1
1574 1 56 LEU HA 1 56 LEU HB3 . . 2.970 2.370 2.333 2.406 . 0 0 "[ . 1 . 2]" 1
1575 1 56 LEU HB3 1 57 ASN H . . 3.810 3.601 3.472 3.764 . 0 0 "[ . 1 . 2]" 1
1576 1 56 LEU HG 1 71 ILE MD . . 4.420 3.745 3.419 4.116 . 0 0 "[ . 1 . 2]" 1
1577 1 53 LYS HA 1 56 LEU HG . . 3.570 2.637 2.310 3.088 . 0 0 "[ . 1 . 2]" 1
1578 1 56 LEU HA 1 56 LEU HG . . 3.550 3.312 3.141 3.462 . 0 0 "[ . 1 . 2]" 1
1579 1 56 LEU HG 1 57 ASN H . . 4.880 3.845 3.702 3.996 . 0 0 "[ . 1 . 2]" 1
1580 1 56 LEU MD1 1 71 ILE MD . . 3.880 3.694 3.358 3.884 0.004 3 0 "[ . 1 . 2]" 1
1581 1 56 LEU HB3 1 56 LEU MD1 . . 2.940 2.333 2.206 2.473 . 0 0 "[ . 1 . 2]" 1
1582 1 56 LEU MD1 1 61 ARG HB3 . . 4.930 3.885 3.476 4.364 . 0 0 "[ . 1 . 2]" 1
1583 1 56 LEU MD1 1 71 ILE HG13 . . 4.400 4.146 3.826 4.390 . 0 0 "[ . 1 . 2]" 1
1584 1 56 LEU MD1 1 67 TRP HB3 . . 3.500 2.180 1.970 2.391 . 0 0 "[ . 1 . 2]" 1
1585 1 56 LEU MD1 1 67 TRP HB2 . . 3.360 2.975 2.642 3.272 . 0 0 "[ . 1 . 2]" 1
1586 1 56 LEU HA 1 56 LEU MD1 . . 3.960 3.898 3.854 3.959 . 0 0 "[ . 1 . 2]" 1
1587 1 56 LEU MD1 1 67 TRP HA . . 3.280 2.587 2.244 2.821 . 0 0 "[ . 1 . 2]" 1
1588 1 56 LEU MD1 1 67 TRP HD1 . . 5.500 4.302 4.068 4.517 . 0 0 "[ . 1 . 2]" 1
1589 1 56 LEU MD1 1 71 ILE H . . 5.500 5.158 4.942 5.301 . 0 0 "[ . 1 . 2]" 1
1590 1 56 LEU H 1 56 LEU MD1 . . 3.720 3.524 3.347 3.601 . 0 0 "[ . 1 . 2]" 1
1591 1 56 LEU MD2 1 71 ILE MD . . 3.880 2.206 1.932 2.596 . 0 0 "[ . 1 . 2]" 1
1592 1 56 LEU HB3 1 56 LEU MD2 . . 2.940 2.306 2.167 2.480 . 0 0 "[ . 1 . 2]" 1
1593 1 56 LEU MD2 1 61 ARG HB3 . . 4.930 3.867 3.314 4.938 0.008 20 0 "[ . 1 . 2]" 1
1594 1 56 LEU MD2 1 71 ILE HG13 . . 4.400 2.269 2.097 2.397 . 0 0 "[ . 1 . 2]" 1
1595 1 56 LEU MD2 1 67 TRP HB3 . . 3.500 3.102 2.928 3.198 . 0 0 "[ . 1 . 2]" 1
1596 1 56 LEU MD2 1 67 TRP HB2 . . 3.360 2.671 2.436 2.876 . 0 0 "[ . 1 . 2]" 1
1597 1 56 LEU HA 1 56 LEU MD2 . . 3.960 2.216 1.971 2.440 . 0 0 "[ . 1 . 2]" 1
1598 1 56 LEU MD2 1 67 TRP HA . . 3.280 2.554 2.352 2.835 . 0 0 "[ . 1 . 2]" 1
1599 1 56 LEU MD2 1 67 TRP HD1 . . 5.500 5.458 5.280 5.517 0.017 19 0 "[ . 1 . 2]" 1
1600 1 56 LEU MD2 1 71 ILE H . . 5.500 3.676 3.485 4.002 . 0 0 "[ . 1 . 2]" 1
1601 1 56 LEU MD2 1 57 ASN H . . 5.050 4.481 4.330 4.608 . 0 0 "[ . 1 . 2]" 1
1602 1 56 LEU H 1 56 LEU MD2 . . 3.720 2.811 2.506 3.124 . 0 0 "[ . 1 . 2]" 1
1603 1 78 LEU HA 1 87 LEU MD1 . . 4.770 3.586 2.180 4.409 . 0 0 "[ . 1 . 2]" 1
1604 1 78 LEU HA 1 78 LEU HB3 . . 2.770 2.453 2.419 2.521 . 0 0 "[ . 1 . 2]" 1
1605 1 78 LEU HA 1 78 LEU HG . . 4.020 3.097 2.922 3.176 . 0 0 "[ . 1 . 2]" 1
1606 1 78 LEU HA 1 81 LEU H . . 3.580 3.484 3.429 3.551 . 0 0 "[ . 1 . 2]" 1
1607 1 78 LEU HA 1 82 GLU H . . 4.520 4.163 3.956 4.524 0.004 6 0 "[ . 1 . 2]" 1
1608 1 68 LYS HG2 1 78 LEU HB2 . . 4.280 2.786 2.463 3.098 . 0 0 "[ . 1 . 2]" 1
1609 1 68 LYS HG2 1 78 LEU HB3 . . 4.280 3.239 2.896 3.602 . 0 0 "[ . 1 . 2]" 1
1610 1 68 LYS HA 1 78 LEU HB3 . . 3.940 3.808 3.608 3.948 0.008 14 0 "[ . 1 . 2]" 1
1611 1 78 LEU HB3 1 79 ARG H . . 4.080 3.597 3.477 3.732 . 0 0 "[ . 1 . 2]" 1
1612 1 78 LEU H 1 78 LEU HB3 . . 3.640 3.596 3.588 3.610 . 0 0 "[ . 1 . 2]" 1
1613 1 78 LEU HB3 1 78 LEU MD1 . . 3.150 2.411 2.303 2.513 . 0 0 "[ . 1 . 2]" 1
1614 1 78 LEU HA 1 78 LEU MD1 . . 3.900 3.887 3.868 3.906 0.006 10 0 "[ . 1 . 2]" 1
1615 1 67 TRP HZ3 1 78 LEU MD1 . . 4.450 1.877 1.786 1.943 . 0 0 "[ . 1 . 2]" 1
1616 1 78 LEU HB3 1 78 LEU MD2 . . 3.150 2.362 2.302 2.398 . 0 0 "[ . 1 . 2]" 1
1617 1 78 LEU HA 1 78 LEU MD2 . . 3.900 1.976 1.964 2.067 . 0 0 "[ . 1 . 2]" 1
1618 1 81 LEU HA 1 86 LEU MD1 . . 3.490 2.267 1.974 2.570 . 0 0 "[ . 1 . 2]" 1
1619 1 81 LEU HA 1 86 LEU H . . 4.470 4.194 3.932 4.396 . 0 0 "[ . 1 . 2]" 1
1620 1 81 LEU HA 1 81 LEU HB3 . . 2.790 2.456 2.419 2.491 . 0 0 "[ . 1 . 2]" 1
1621 1 81 LEU HB2 1 87 LEU MD1 . . 4.650 3.485 2.242 4.409 . 0 0 "[ . 1 . 2]" 1
1622 1 81 LEU HB2 1 81 LEU MD1 . . 3.230 2.263 2.096 2.363 . 0 0 "[ . 1 . 2]" 1
1623 1 81 LEU HB3 1 87 LEU HB2 . . 3.820 2.747 2.181 3.416 . 0 0 "[ . 1 . 2]" 1
1624 1 78 LEU HA 1 81 LEU HB3 . . 4.740 4.566 4.256 4.742 0.002 5 0 "[ . 1 . 2]" 1
1625 1 81 LEU H 1 81 LEU HB3 . . 3.590 3.587 3.584 3.590 0.000 11 0 "[ . 1 . 2]" 1
1626 1 81 LEU HB3 1 82 GLU H . . 3.820 3.648 3.542 3.722 . 0 0 "[ . 1 . 2]" 1
1627 1 81 LEU HB3 1 86 LEU HB3 . . 3.970 3.429 3.177 3.993 0.023 19 0 "[ . 1 . 2]" 1
1628 1 81 LEU HG 1 82 GLU H . . 4.470 4.240 4.114 4.332 . 0 0 "[ . 1 . 2]" 1
1629 1 78 LEU HA 1 81 LEU HG . . 4.660 3.358 2.873 3.772 . 0 0 "[ . 1 . 2]" 1
1630 1 81 LEU HB3 1 81 LEU MD1 . . 2.940 2.419 2.313 2.553 . 0 0 "[ . 1 . 2]" 1
1631 1 73 CYS HB3 1 81 LEU MD1 . . 2.890 1.880 1.772 1.967 . 0 0 "[ . 1 . 2]" 1
1632 1 73 CYS HB2 1 81 LEU MD1 . . 3.310 2.983 2.389 3.316 0.006 20 0 "[ . 1 . 2]" 1
1633 1 81 LEU HA 1 81 LEU MD1 . . 3.950 3.893 3.868 3.932 . 0 0 "[ . 1 . 2]" 1
1634 1 78 LEU HA 1 81 LEU MD1 . . 3.070 2.436 1.983 2.916 . 0 0 "[ . 1 . 2]" 1
1635 1 81 LEU H 1 81 LEU MD1 . . 3.620 3.494 3.366 3.583 . 0 0 "[ . 1 . 2]" 1
1636 1 78 LEU H 1 81 LEU MD1 . . 5.210 4.217 3.695 4.580 . 0 0 "[ . 1 . 2]" 1
1637 1 73 CYS H 1 81 LEU MD1 . . 3.930 3.452 2.590 3.926 . 0 0 "[ . 1 . 2]" 1
1638 1 81 LEU HB3 1 81 LEU MD2 . . 2.950 2.278 2.153 2.375 . 0 0 "[ . 1 . 2]" 1
1639 1 81 LEU HA 1 81 LEU MD2 . . 2.700 2.148 1.964 2.348 . 0 0 "[ . 1 . 2]" 1
1640 1 81 LEU H 1 81 LEU MD2 . . 3.720 3.304 3.139 3.414 . 0 0 "[ . 1 . 2]" 1
1641 1 86 LEU HA 1 87 LEU H . . 3.560 3.518 3.503 3.547 . 0 0 "[ . 1 . 2]" 1
1642 1 81 LEU HA 1 86 LEU HB3 . . 5.080 4.618 4.337 4.926 . 0 0 "[ . 1 . 2]" 1
1643 1 86 LEU H 1 86 LEU HB3 . . 3.740 3.698 3.680 3.731 . 0 0 "[ . 1 . 2]" 1
1644 1 81 LEU HB2 1 86 LEU HB2 . . 5.010 3.678 3.440 4.112 . 0 0 "[ . 1 . 2]" 1
1645 1 81 LEU HA 1 86 LEU HB2 . . 3.720 3.135 2.849 3.408 . 0 0 "[ . 1 . 2]" 1
1646 1 86 LEU HB2 1 87 LEU H . . 3.930 2.683 2.485 2.775 . 0 0 "[ . 1 . 2]" 1
1647 1 86 LEU H 1 86 LEU HB2 . . 3.050 2.635 2.606 2.695 . 0 0 "[ . 1 . 2]" 1
1648 1 86 LEU HA 1 86 LEU MD1 . . 4.460 3.942 3.925 3.990 . 0 0 "[ . 1 . 2]" 1
1649 1 84 LYS HE2 1 86 LEU MD1 . . 4.460 2.523 1.947 3.746 . 0 0 "[ . 1 . 2]" 1
1650 1 84 LYS QD 1 86 LEU MD1 . . 3.810 2.444 2.163 3.878 0.068 19 0 "[ . 1 . 2]" 1
1651 1 86 LEU HB3 1 86 LEU MD2 . . 2.790 2.255 2.147 2.374 . 0 0 "[ . 1 . 2]" 1
1652 1 81 LEU HA 1 86 LEU MD2 . . 5.500 4.821 4.643 5.106 . 0 0 "[ . 1 . 2]" 1
1653 1 85 GLY HA2 1 86 LEU MD2 . . 5.500 5.056 4.906 5.290 . 0 0 "[ . 1 . 2]" 1
1654 1 86 LEU HA 1 86 LEU MD2 . . 2.590 2.269 2.041 2.484 . 0 0 "[ . 1 . 2]" 1
1655 1 86 LEU H 1 86 LEU MD2 . . 3.640 3.563 3.476 3.623 . 0 0 "[ . 1 . 2]" 1
1656 1 87 LEU HA 1 87 LEU MD2 . . 4.670 3.615 2.867 3.918 . 0 0 "[ . 1 . 2]" 1
1657 1 82 GLU HB2 1 87 LEU HB3 . . 3.820 2.473 2.137 2.832 . 0 0 "[ . 1 . 2]" 1
1658 1 82 GLU HB3 1 87 LEU HB3 . . 5.330 4.015 3.716 4.272 . 0 0 "[ . 1 . 2]" 1
1659 1 87 LEU H 1 87 LEU HB3 . . 3.280 2.700 2.566 2.987 . 0 0 "[ . 1 . 2]" 1
1660 1 81 LEU HB2 1 87 LEU HB2 . . 3.820 2.490 2.018 3.012 . 0 0 "[ . 1 . 2]" 1
1661 1 82 GLU HB2 1 87 LEU HB2 . . 4.650 4.026 3.640 4.528 . 0 0 "[ . 1 . 2]" 1
1662 1 87 LEU HB2 1 88 PHE H . . 4.580 4.284 3.988 4.594 0.014 20 0 "[ . 1 . 2]" 1
1663 1 87 LEU HB2 1 87 LEU HG . . 3.020 2.883 2.579 3.013 . 0 0 "[ . 1 . 2]" 1
1664 1 30 GLN HG2 1 87 LEU HG . . 5.500 5.224 4.353 5.516 0.016 1 0 "[ . 1 . 2]" 1
1665 1 82 GLU HB2 1 87 LEU HG . . 5.500 4.598 4.022 5.502 0.002 16 0 "[ . 1 . 2]" 1
1666 1 87 LEU H 1 87 LEU HG . . 5.200 4.494 4.444 4.550 . 0 0 "[ . 1 . 2]" 1
1667 1 87 LEU HG 1 88 PHE QE . . 5.500 4.266 3.805 4.746 . 0 0 "[ . 1 . 2]" 1
1668 1 87 LEU HG 1 88 PHE H . . 4.080 2.832 1.913 3.801 . 0 0 "[ . 1 . 2]" 1
1669 1 87 LEU HB2 1 87 LEU MD1 . . 3.440 2.149 2.020 2.253 . 0 0 "[ . 1 . 2]" 1
1670 1 87 LEU HA 1 87 LEU MD1 . . 4.670 2.754 2.242 3.660 . 0 0 "[ . 1 . 2]" 1
1671 1 87 LEU MD1 1 89 SER HA . . 5.050 4.278 3.835 4.846 . 0 0 "[ . 1 . 2]" 1
1672 1 87 LEU H 1 87 LEU MD1 . . 4.450 4.280 4.104 4.430 . 0 0 "[ . 1 . 2]" 1
1673 1 87 LEU HB2 1 87 LEU MD2 . . 3.440 2.751 2.443 3.156 . 0 0 "[ . 1 . 2]" 1
1674 1 81 LEU HB2 1 87 LEU MD2 . . 4.650 3.626 2.562 4.629 . 0 0 "[ . 1 . 2]" 1
1675 1 78 LEU HA 1 87 LEU MD2 . . 4.770 3.380 2.522 4.667 . 0 0 "[ . 1 . 2]" 1
1676 1 87 LEU MD2 1 89 SER HA . . 5.050 2.707 2.209 3.229 . 0 0 "[ . 1 . 2]" 1
1677 1 71 ILE HB 1 78 LEU H . . 4.370 4.188 4.024 4.358 . 0 0 "[ . 1 . 2]" 1
1678 1 67 TRP HZ3 1 71 ILE HB . . 4.780 4.729 4.522 4.804 0.024 15 0 "[ . 1 . 2]" 1
1679 1 68 LYS HA 1 71 ILE HB . . 4.280 3.216 2.973 3.435 . 0 0 "[ . 1 . 2]" 1
1680 1 19 VAL MG2 1 71 ILE HB . . 5.500 5.466 5.253 5.519 0.019 13 0 "[ . 1 . 2]" 1
1681 1 79 ARG HD2 1 83 GLN HE22 . . 5.380 4.415 3.600 5.383 0.003 10 0 "[ . 1 . 2]" 1
1682 1 52 VAL MG2 1 53 LYS QB . . 5.420 5.172 4.989 5.415 . 0 0 "[ . 1 . 2]" 1
1683 1 51 THR HB 1 53 LYS QB . . 4.080 3.695 3.532 3.928 . 0 0 "[ . 1 . 2]" 1
1684 1 72 ARG HB2 1 76 GLU H . . 5.260 5.171 4.786 5.279 0.019 5 0 "[ . 1 . 2]" 1
1685 1 71 ILE HA 1 72 ARG HB2 . . 5.500 4.625 4.475 4.695 . 0 0 "[ . 1 . 2]" 1
1686 1 72 ARG HB2 1 77 THR HA . . 5.500 4.879 4.622 5.348 . 0 0 "[ . 1 . 2]" 1
1687 1 72 ARG HB2 1 75 GLY HA2 . . 4.450 4.262 3.904 4.453 0.003 13 0 "[ . 1 . 2]" 1
1688 1 29 PHE HA 1 32 LYS HD2 . . 5.420 5.106 4.667 5.320 . 0 0 "[ . 1 . 2]" 1
1689 1 32 LYS H 1 32 LYS HD3 . . 4.850 4.732 4.584 4.834 . 0 0 "[ . 1 . 2]" 1
1690 1 32 LYS H 1 41 CYS HB2 . . 4.620 4.258 3.827 4.632 0.012 13 0 "[ . 1 . 2]" 1
1691 1 32 LYS H 1 41 CYS HB3 . . 5.020 4.654 4.253 4.967 . 0 0 "[ . 1 . 2]" 1
1692 1 76 GLU HG2 1 80 HIS HB3 . . 4.560 4.050 3.147 4.320 . 0 0 "[ . 1 . 2]" 1
1693 1 80 HIS HB3 1 81 LEU HG . . 4.400 3.234 3.090 3.388 . 0 0 "[ . 1 . 2]" 1
1694 1 80 HIS HB2 1 81 LEU HG . . 5.190 4.891 4.658 5.048 . 0 0 "[ . 1 . 2]" 1
1695 1 77 THR MG 1 80 HIS HB3 . . 4.880 4.707 4.450 4.876 . 0 0 "[ . 1 . 2]" 1
1696 1 80 HIS HB3 1 81 LEU MD1 . . 5.500 4.676 4.519 4.825 . 0 0 "[ . 1 . 2]" 1
1697 1 80 HIS HB3 1 81 LEU MD2 . . 5.500 3.732 3.354 4.004 . 0 0 "[ . 1 . 2]" 1
1698 1 80 HIS HB2 1 81 LEU MD2 . . 5.500 5.230 4.909 5.451 . 0 0 "[ . 1 . 2]" 1
1699 1 28 LEU HB3 1 29 PHE H . . 4.400 4.219 4.166 4.265 . 0 0 "[ . 1 . 2]" 1
1700 1 16 THR HA 1 28 LEU HB3 . . 5.500 4.954 4.902 5.025 . 0 0 "[ . 1 . 2]" 1
1701 1 28 LEU HB3 1 42 ILE HA . . 5.500 5.216 5.029 5.464 . 0 0 "[ . 1 . 2]" 1
1702 1 28 LEU HB2 1 42 ILE HA . . 4.420 4.073 3.829 4.362 . 0 0 "[ . 1 . 2]" 1
1703 1 28 LEU HB2 1 33 LEU HB2 . . 5.500 5.508 5.398 5.542 0.042 10 0 "[ . 1 . 2]" 1
1704 1 17 LEU MD1 1 18 PRO HD3 . . 5.500 5.474 5.437 5.510 0.010 8 0 "[ . 1 . 2]" 1
1705 1 18 PRO HD3 1 19 VAL MG1 . . 5.500 5.474 5.399 5.512 0.012 2 0 "[ . 1 . 2]" 1
1706 1 17 LEU HB2 1 18 PRO HD3 . . 4.920 4.807 4.738 4.849 . 0 0 "[ . 1 . 2]" 1
1707 1 18 PRO HD3 1 73 CYS HG . . 5.350 4.506 3.929 5.350 . 0 0 "[ . 1 . 2]" 1
1708 1 18 PRO HD3 1 74 ASN HD22 . . 5.130 4.413 3.809 5.122 . 0 0 "[ . 1 . 2]" 1
1709 1 90 GLY HA2 1 91 PRO QD . . 2.850 2.322 2.037 2.652 . 0 0 "[ . 1 . 2]" 1
1710 1 90 GLY HA3 1 91 PRO QG . . 4.630 4.101 3.854 4.407 . 0 0 "[ . 1 . 2]" 1
1711 1 85 GLY HA2 1 86 LEU HG . . 4.780 4.744 4.664 4.785 0.005 10 0 "[ . 1 . 2]" 1
1712 1 23 LYS HA 1 23 LYS HB2 . . 3.020 2.630 2.416 3.013 . 0 0 "[ . 1 . 2]" 1
1713 1 15 PRO HA 1 30 GLN HG3 . . 3.930 2.508 2.222 2.734 . 0 0 "[ . 1 . 2]" 1
1714 1 29 PHE HA 1 30 GLN HG3 . . 4.080 3.802 3.730 3.936 . 0 0 "[ . 1 . 2]" 1
1715 1 29 PHE HA 1 30 GLN HG2 . . 4.280 4.235 4.152 4.300 0.020 19 0 "[ . 1 . 2]" 1
1716 1 15 PRO HA 1 30 GLN HG2 . . 4.570 4.223 3.957 4.434 . 0 0 "[ . 1 . 2]" 1
1717 1 17 LEU HG 1 30 GLN HG3 . . 4.080 3.768 3.575 3.878 . 0 0 "[ . 1 . 2]" 1
1718 1 28 LEU HG 1 30 GLN HG2 . . 4.400 3.948 3.844 4.074 . 0 0 "[ . 1 . 2]" 1
1719 1 17 LEU HG 1 30 GLN HG2 . . 4.280 3.578 3.451 3.671 . 0 0 "[ . 1 . 2]" 1
1720 1 29 PHE HB3 1 30 GLN HA . . 5.500 5.307 5.264 5.357 . 0 0 "[ . 1 . 2]" 1
1721 1 30 GLN HA 1 41 CYS HB2 . . 5.500 5.328 5.220 5.471 . 0 0 "[ . 1 . 2]" 1
1722 1 44 ASN HB3 1 55 PHE QD . . 4.640 4.240 3.755 4.591 . 0 0 "[ . 1 . 2]" 1
1723 1 42 ILE MG 1 44 ASN HB3 . . 4.400 4.141 3.998 4.323 . 0 0 "[ . 1 . 2]" 1
1724 1 21 CYS HA 1 21 CYS HG . . 3.720 2.664 2.514 2.875 . 0 0 "[ . 1 . 2]" 1
1725 1 70 VAL HA 1 70 VAL HB . . 2.830 2.469 2.449 2.508 . 0 0 "[ . 1 . 2]" 1
1726 1 70 VAL HB 1 71 ILE H . . 3.980 3.689 3.557 3.894 . 0 0 "[ . 1 . 2]" 1
1727 1 28 LEU HG 1 42 ILE HA . . 5.500 5.408 5.292 5.510 0.010 8 0 "[ . 1 . 2]" 1
1728 1 33 LEU HG 1 88 PHE QE . . 4.970 4.158 3.770 4.423 . 0 0 "[ . 1 . 2]" 1
1729 1 52 VAL HB 1 67 TRP HB3 . . 4.790 4.691 4.510 4.803 0.013 10 0 "[ . 1 . 2]" 1
1730 1 78 LEU HA 1 81 LEU HB2 . . 3.070 2.989 2.715 3.077 0.007 5 0 "[ . 1 . 2]" 1
1731 1 61 ARG HD2 1 70 VAL HB . . 4.940 3.507 2.545 4.942 0.002 1 0 "[ . 1 . 2]" 1
1732 1 61 ARG HD3 1 70 VAL HB . . 4.940 3.493 2.009 4.681 . 0 0 "[ . 1 . 2]" 1
1733 1 67 TRP HB2 1 70 VAL MG1 . . 5.500 5.479 5.416 5.569 0.069 12 0 "[ . 1 . 2]" 1
1734 1 61 ARG HB3 1 70 VAL HB . . 4.830 3.294 2.707 4.642 . 0 0 "[ . 1 . 2]" 1
1735 1 61 ARG HB2 1 70 VAL HB . . 5.140 3.437 2.908 4.224 . 0 0 "[ . 1 . 2]" 1
1736 1 33 LEU HG 1 34 LYS H . . 5.480 4.074 3.707 4.302 . 0 0 "[ . 1 . 2]" 1
1737 1 30 GLN HA 1 33 LEU HG . . 5.190 4.512 4.306 4.703 . 0 0 "[ . 1 . 2]" 1
1738 1 33 LEU HG 1 34 LYS HA . . 5.500 4.058 3.688 4.307 . 0 0 "[ . 1 . 2]" 1
1739 1 77 THR HA 1 78 LEU HG . . 5.500 3.874 3.778 4.056 . 0 0 "[ . 1 . 2]" 1
1740 1 28 LEU HA 1 28 LEU HG . . 3.880 2.976 2.920 3.009 . 0 0 "[ . 1 . 2]" 1
1741 1 78 LEU H 1 81 LEU HG . . 5.500 4.949 4.556 5.243 . 0 0 "[ . 1 . 2]" 1
1742 1 44 ASN H 1 50 LEU HG . . 4.770 4.044 3.749 4.789 0.019 18 0 "[ . 1 . 2]" 1
1743 1 44 ASN HD21 1 50 LEU HG . . 4.960 4.355 3.694 4.953 . 0 0 "[ . 1 . 2]" 1
1744 1 16 THR MG 1 29 PHE QD . . 2.830 2.548 2.451 2.648 . 0 0 "[ . 1 . 2]" 1
1745 1 27 THR MG 1 29 PHE QD . . 3.520 3.234 3.047 3.466 . 0 0 "[ . 1 . 2]" 1
1746 1 29 PHE QD 1 32 LYS HD2 . . 3.570 3.309 3.082 3.464 . 0 0 "[ . 1 . 2]" 1
1747 1 27 THR HB 1 29 PHE QD . . 4.090 3.973 3.864 4.091 0.001 12 0 "[ . 1 . 2]" 1
1748 1 29 PHE QD 1 43 GLN H . . 3.660 3.445 3.204 3.594 . 0 0 "[ . 1 . 2]" 1
1749 1 29 PHE H 1 29 PHE QD . . 2.620 2.292 2.132 2.346 . 0 0 "[ . 1 . 2]" 1
1750 1 29 PHE QE 1 43 GLN HB2 . . 3.040 2.853 2.657 3.041 0.001 7 0 "[ . 1 . 2]" 1
1751 1 16 THR MG 1 29 PHE QE . . 2.920 2.457 2.336 2.618 . 0 0 "[ . 1 . 2]" 1
1752 1 27 THR MG 1 29 PHE QE . . 2.900 2.545 2.267 2.902 0.002 11 0 "[ . 1 . 2]" 1
1753 1 29 PHE QE 1 43 GLN HB3 . . 2.870 2.694 2.341 2.873 0.003 17 0 "[ . 1 . 2]" 1
1754 1 27 THR HB 1 29 PHE QE . . 2.830 2.101 1.999 2.254 . 0 0 "[ . 1 . 2]" 1
1755 1 29 PHE QE 1 43 GLN H . . 3.290 2.935 2.594 3.220 . 0 0 "[ . 1 . 2]" 1
1756 1 29 PHE QE 1 43 GLN HG3 . . 5.290 4.979 4.789 5.139 . 0 0 "[ . 1 . 2]" 1
1757 1 16 THR MG 1 29 PHE HZ . . 3.270 2.976 2.756 3.249 . 0 0 "[ . 1 . 2]" 1
1758 1 27 THR MG 1 29 PHE HZ . . 3.740 3.359 3.048 3.591 . 0 0 "[ . 1 . 2]" 1
1759 1 29 PHE HZ 1 43 GLN HB3 . . 4.030 3.685 3.384 4.015 . 0 0 "[ . 1 . 2]" 1
1760 1 29 PHE HZ 1 43 GLN HB2 . . 4.280 3.961 3.677 4.282 0.002 9 0 "[ . 1 . 2]" 1
1761 1 27 THR HB 1 29 PHE HZ . . 3.800 3.591 3.360 3.806 0.006 4 0 "[ . 1 . 2]" 1
1762 1 29 PHE HZ 1 49 TRP HH2 . . 3.850 3.545 3.399 3.776 . 0 0 "[ . 1 . 2]" 1
1763 1 42 ILE MG 1 55 PHE QD . . 3.030 2.501 2.278 2.713 . 0 0 "[ . 1 . 2]" 1
1764 1 42 ILE MD 1 55 PHE QD . . 2.860 2.301 2.059 2.460 . 0 0 "[ . 1 . 2]" 1
1765 1 55 PHE QD 1 71 ILE MD . . 2.670 1.991 1.919 2.094 . 0 0 "[ . 1 . 2]" 1
1766 1 21 CYS HB3 1 55 PHE QD . . 4.010 3.677 3.390 3.818 . 0 0 "[ . 1 . 2]" 1
1767 1 55 PHE QD 1 58 GLU HB2 . . 3.900 3.830 3.649 3.901 0.001 11 0 "[ . 1 . 2]" 1
1768 1 21 CYS HB2 1 55 PHE QD . . 3.410 3.049 2.636 3.390 . 0 0 "[ . 1 . 2]" 1
1769 1 55 PHE HA 1 55 PHE QD . . 2.520 2.202 2.113 2.296 . 0 0 "[ . 1 . 2]" 1
1770 1 55 PHE QD 1 56 LEU H . . 4.110 3.963 3.811 4.116 0.006 8 0 "[ . 1 . 2]" 1
1771 1 55 PHE H 1 55 PHE QD . . 4.160 4.098 4.039 4.157 . 0 0 "[ . 1 . 2]" 1
1772 1 42 ILE MG 1 55 PHE QE . . 3.280 3.020 2.708 3.178 . 0 0 "[ . 1 . 2]" 1
1773 1 19 VAL MG2 1 55 PHE QE . . 3.160 2.813 2.634 3.029 . 0 0 "[ . 1 . 2]" 1
1774 1 19 VAL MG1 1 55 PHE QE . . 4.770 4.360 4.216 4.584 . 0 0 "[ . 1 . 2]" 1
1775 1 24 ALA MB 1 55 PHE QE . . 3.010 2.710 2.459 2.906 . 0 0 "[ . 1 . 2]" 1
1776 1 55 PHE QE 1 71 ILE MG . . 2.670 2.218 1.980 2.612 . 0 0 "[ . 1 . 2]" 1
1777 1 55 PHE QE 1 71 ILE MD . . 3.790 3.230 2.975 3.581 . 0 0 "[ . 1 . 2]" 1
1778 1 21 CYS HB3 1 55 PHE QE . . 3.420 3.340 3.175 3.436 0.016 11 0 "[ . 1 . 2]" 1
1779 1 19 VAL HB 1 55 PHE QE . . 3.420 2.947 2.762 3.285 . 0 0 "[ . 1 . 2]" 1
1780 1 55 PHE QE 1 71 ILE HG13 . . 4.770 4.349 4.098 4.774 0.004 10 0 "[ . 1 . 2]" 1
1781 1 21 CYS HB2 1 55 PHE QE . . 2.920 2.431 1.997 2.643 . 0 0 "[ . 1 . 2]" 1
1782 1 44 ASN HB3 1 55 PHE QE . . 5.070 4.416 3.819 4.911 . 0 0 "[ . 1 . 2]" 1
1783 1 26 GLY HA3 1 55 PHE QE . . 3.630 3.145 2.989 3.383 . 0 0 "[ . 1 . 2]" 1
1784 1 25 LYS HA 1 55 PHE QE . . 3.700 3.209 2.927 3.447 . 0 0 "[ . 1 . 2]" 1
1785 1 26 GLY H 1 55 PHE QE . . 4.200 3.332 3.073 3.573 . 0 0 "[ . 1 . 2]" 1
1786 1 42 ILE MG 1 55 PHE HZ . . 4.150 3.739 3.343 3.941 . 0 0 "[ . 1 . 2]" 1
1787 1 24 ALA MB 1 55 PHE HZ . . 3.480 3.379 3.265 3.490 0.010 2 0 "[ . 1 . 2]" 1
1788 1 55 PHE HZ 1 71 ILE MG . . 4.250 4.084 3.885 4.255 0.005 10 0 "[ . 1 . 2]" 1
1789 1 25 LYS HG2 1 55 PHE HZ . . 5.500 4.954 4.424 5.509 0.009 8 0 "[ . 1 . 2]" 1
1790 1 25 LYS HG3 1 55 PHE HZ . . 5.500 5.259 4.200 5.505 0.005 2 0 "[ . 1 . 2]" 1
1791 1 21 CYS HB3 1 55 PHE HZ . . 4.130 3.987 3.820 4.130 0.000 12 0 "[ . 1 . 2]" 1
1792 1 19 VAL HB 1 55 PHE HZ . . 4.460 4.083 3.874 4.327 . 0 0 "[ . 1 . 2]" 1
1793 1 21 CYS HB2 1 55 PHE HZ . . 4.180 4.002 3.565 4.148 . 0 0 "[ . 1 . 2]" 1
1794 1 26 GLY HA3 1 55 PHE HZ . . 4.360 4.061 3.860 4.356 . 0 0 "[ . 1 . 2]" 1
1795 1 21 CYS HA 1 55 PHE HZ . . 5.500 5.071 4.838 5.228 . 0 0 "[ . 1 . 2]" 1
1796 1 26 GLY HA2 1 55 PHE HZ . . 5.500 5.064 4.858 5.321 . 0 0 "[ . 1 . 2]" 1
1797 1 25 LYS HA 1 55 PHE HZ . . 2.830 2.442 1.996 2.674 . 0 0 "[ . 1 . 2]" 1
1798 1 20 THR HA 1 55 PHE HZ . . 2.670 2.130 1.997 2.523 . 0 0 "[ . 1 . 2]" 1
1799 1 21 CYS H 1 55 PHE HZ . . 3.030 2.619 2.416 2.791 . 0 0 "[ . 1 . 2]" 1
1800 1 80 HIS HD2 1 81 LEU MD2 . . 3.650 3.147 2.658 3.495 . 0 0 "[ . 1 . 2]" 1
1801 1 76 GLU HB3 1 80 HIS HD2 . . 3.760 3.407 3.114 3.767 0.007 10 0 "[ . 1 . 2]" 1
1802 1 80 HIS HB3 1 80 HIS HD2 . . 2.990 2.896 2.852 2.959 . 0 0 "[ . 1 . 2]" 1
1803 1 80 HIS HD2 1 81 LEU HA . . 3.700 3.289 2.954 3.702 0.002 2 0 "[ . 1 . 2]" 1
1804 1 80 HIS HD2 1 81 LEU H . . 4.310 3.912 3.563 4.277 . 0 0 "[ . 1 . 2]" 1
1805 1 43 GLN HG3 1 49 TRP HD1 . . 4.140 3.755 3.523 3.926 . 0 0 "[ . 1 . 2]" 1
1806 1 40 LYS HB2 1 49 TRP HD1 . . 5.370 5.202 5.030 5.315 . 0 0 "[ . 1 . 2]" 1
1807 1 49 TRP HB2 1 49 TRP HD1 . . 2.750 2.740 2.711 2.767 0.017 15 0 "[ . 1 . 2]" 1
1808 1 48 ASP HA 1 49 TRP HD1 . . 3.760 3.465 3.336 3.594 . 0 0 "[ . 1 . 2]" 1
1809 1 49 TRP HA 1 49 TRP HD1 . . 4.180 4.039 3.975 4.117 . 0 0 "[ . 1 . 2]" 1
1810 1 43 GLN HE21 1 49 TRP HD1 . . 3.960 3.570 3.357 3.839 . 0 0 "[ . 1 . 2]" 1
1811 1 49 TRP H 1 49 TRP HD1 . . 2.580 2.186 2.043 2.435 . 0 0 "[ . 1 . 2]" 1
1812 1 43 GLN HB2 1 49 TRP HE3 . . 3.570 3.282 3.106 3.447 . 0 0 "[ . 1 . 2]" 1
1813 1 40 LYS HB3 1 49 TRP HE3 . . 4.100 4.066 4.019 4.119 0.019 7 0 "[ . 1 . 2]" 1
1814 1 40 LYS HB2 1 49 TRP HE3 . . 4.410 4.404 4.282 4.436 0.026 15 0 "[ . 1 . 2]" 1
1815 1 49 TRP HB3 1 49 TRP HE3 . . 2.560 2.488 2.466 2.516 . 0 0 "[ . 1 . 2]" 1
1816 1 41 CYS HA 1 49 TRP HE3 . . 3.830 2.523 2.374 2.714 . 0 0 "[ . 1 . 2]" 1
1817 1 49 TRP HA 1 49 TRP HE3 . . 3.550 3.428 3.320 3.520 . 0 0 "[ . 1 . 2]" 1
1818 1 29 PHE QD 1 49 TRP HE3 . . 4.270 4.256 4.208 4.278 0.008 13 0 "[ . 1 . 2]" 1
1819 1 43 GLN HB2 1 49 TRP HZ2 . . 4.740 4.287 3.952 4.544 . 0 0 "[ . 1 . 2]" 1
1820 1 32 LYS HD3 1 49 TRP HZ2 . . 4.460 4.353 4.042 4.482 0.022 19 0 "[ . 1 . 2]" 1
1821 1 43 GLN HE21 1 49 TRP HZ2 . . 3.790 3.512 3.242 3.755 . 0 0 "[ . 1 . 2]" 1
1822 1 43 GLN HE22 1 49 TRP HZ2 . . 3.640 3.185 2.958 3.405 . 0 0 "[ . 1 . 2]" 1
1823 1 43 GLN HB2 1 49 TRP HZ3 . . 3.580 3.411 3.233 3.583 0.003 1 0 "[ . 1 . 2]" 1
1824 1 32 LYS HD2 1 49 TRP HZ3 . . 2.970 2.502 2.276 2.851 . 0 0 "[ . 1 . 2]" 1
1825 1 32 LYS HD3 1 49 TRP HZ3 . . 3.100 2.576 2.415 2.855 . 0 0 "[ . 1 . 2]" 1
1826 1 32 LYS HB3 1 49 TRP HZ3 . . 4.410 4.186 4.003 4.324 . 0 0 "[ . 1 . 2]" 1
1827 1 41 CYS HB3 1 49 TRP HZ3 . . 5.500 4.962 4.812 5.113 . 0 0 "[ . 1 . 2]" 1
1828 1 41 CYS HB2 1 49 TRP HZ3 . . 4.960 4.094 3.918 4.268 . 0 0 "[ . 1 . 2]" 1
1829 1 49 TRP HB3 1 49 TRP HZ3 . . 5.070 4.890 4.874 4.911 . 0 0 "[ . 1 . 2]" 1
1830 1 29 PHE HB2 1 49 TRP HZ3 . . 3.030 2.500 2.333 2.676 . 0 0 "[ . 1 . 2]" 1
1831 1 41 CYS HA 1 49 TRP HZ3 . . 3.310 2.934 2.816 3.109 . 0 0 "[ . 1 . 2]" 1
1832 1 29 PHE QD 1 49 TRP HZ3 . . 2.730 2.522 2.372 2.651 . 0 0 "[ . 1 . 2]" 1
1833 1 43 GLN HB2 1 49 TRP HH2 . . 4.150 3.919 3.638 4.146 . 0 0 "[ . 1 . 2]" 1
1834 1 32 LYS HD2 1 49 TRP HH2 . . 3.570 2.662 2.510 2.847 . 0 0 "[ . 1 . 2]" 1
1835 1 29 PHE HB3 1 49 TRP HH2 . . 4.080 3.998 3.739 4.099 0.019 18 0 "[ . 1 . 2]" 1
1836 1 29 PHE QE 1 49 TRP HH2 . . 3.100 2.928 2.682 3.105 0.005 5 0 "[ . 1 . 2]" 1
1837 1 29 PHE QD 1 49 TRP HH2 . . 3.180 2.896 2.714 3.074 . 0 0 "[ . 1 . 2]" 1
1838 1 67 TRP HB3 1 67 TRP HD1 . . 2.750 2.719 2.688 2.738 . 0 0 "[ . 1 . 2]" 1
1839 1 67 TRP HA 1 67 TRP HD1 . . 4.610 4.276 4.205 4.336 . 0 0 "[ . 1 . 2]" 1
1840 1 67 TRP H 1 67 TRP HD1 . . 2.510 2.134 2.060 2.263 . 0 0 "[ . 1 . 2]" 1
1841 1 67 TRP HE3 1 68 LYS HG3 . . 4.100 3.813 3.461 3.965 . 0 0 "[ . 1 . 2]" 1
1842 1 67 TRP HE3 1 68 LYS HG2 . . 4.170 3.974 3.676 4.163 . 0 0 "[ . 1 . 2]" 1
1843 1 52 VAL MG1 1 67 TRP HE3 . . 4.460 2.702 2.368 3.122 . 0 0 "[ . 1 . 2]" 1
1844 1 52 VAL MG2 1 67 TRP HE3 . . 4.460 4.075 3.822 4.375 . 0 0 "[ . 1 . 2]" 1
1845 1 67 TRP HE3 1 71 ILE MD . . 2.490 1.985 1.863 2.105 . 0 0 "[ . 1 . 2]" 1
1846 1 67 TRP HB2 1 67 TRP HE3 . . 2.650 2.508 2.489 2.543 . 0 0 "[ . 1 . 2]" 1
1847 1 67 TRP HE3 1 68 LYS HA . . 3.310 3.220 3.030 3.322 0.012 19 0 "[ . 1 . 2]" 1
1848 1 67 TRP HA 1 67 TRP HE3 . . 4.740 4.465 4.387 4.545 . 0 0 "[ . 1 . 2]" 1
1849 1 67 TRP HE3 1 71 ILE H . . 5.500 4.851 4.662 4.982 . 0 0 "[ . 1 . 2]" 1
1850 1 67 TRP HZ2 1 68 LYS HG3 . . 3.640 3.554 3.436 3.682 0.042 9 0 "[ . 1 . 2]" 1
1851 1 67 TRP HZ2 1 68 LYS HG2 . . 4.190 4.040 3.789 4.204 0.014 5 0 "[ . 1 . 2]" 1
1852 1 33 LEU MD2 1 67 TRP HZ2 . . 4.470 3.916 3.742 4.150 . 0 0 "[ . 1 . 2]" 1
1853 1 33 LEU MD1 1 67 TRP HZ2 . . 4.470 3.783 3.481 4.122 . 0 0 "[ . 1 . 2]" 1
1854 1 37 ALA MB 1 67 TRP HZ2 . . 3.270 3.260 3.149 3.314 0.044 6 0 "[ . 1 . 2]" 1
1855 1 18 PRO HD2 1 74 ASN HD21 . . 5.500 4.776 3.654 5.508 0.008 10 0 "[ . 1 . 2]" 1
1856 1 37 ALA HA 1 67 TRP HZ2 . . 5.500 5.309 5.154 5.475 . 0 0 "[ . 1 . 2]" 1
1857 1 67 TRP HZ3 1 68 LYS HG2 . . 3.620 3.417 2.981 3.625 0.005 9 0 "[ . 1 . 2]" 1
1858 1 67 TRP HZ3 1 78 LEU MD2 . . 4.450 3.689 3.356 4.021 . 0 0 "[ . 1 . 2]" 1
1859 1 67 TRP HZ3 1 78 LEU HB3 . . 4.230 4.079 3.837 4.237 0.007 8 0 "[ . 1 . 2]" 1
1860 1 67 TRP HZ3 1 78 LEU HB2 . . 4.550 4.375 4.155 4.525 . 0 0 "[ . 1 . 2]" 1
1861 1 67 TRP HH2 1 68 LYS HG3 . . 4.210 3.999 3.688 4.168 . 0 0 "[ . 1 . 2]" 1
1862 1 67 TRP HH2 1 68 LYS HG2 . . 3.820 3.459 3.272 3.644 . 0 0 "[ . 1 . 2]" 1
1863 1 28 LEU MD1 1 67 TRP HH2 . . 4.470 3.811 3.641 3.949 . 0 0 "[ . 1 . 2]" 1
1864 1 28 LEU MD2 1 67 TRP HH2 . . 4.790 3.755 3.485 4.041 . 0 0 "[ . 1 . 2]" 1
1865 1 33 LEU MD1 1 67 TRP HH2 . . 3.510 3.123 2.553 3.514 0.004 7 0 "[ . 1 . 2]" 1
1866 1 67 TRP HH2 1 68 LYS HA . . 5.500 5.315 5.142 5.411 . 0 0 "[ . 1 . 2]" 1
1867 1 88 PHE QE 1 89 SER HA . . 3.800 3.683 3.594 3.810 0.010 16 0 "[ . 1 . 2]" 1
1868 1 30 GLN HA 1 88 PHE QE . . 3.690 2.391 2.054 2.748 . 0 0 "[ . 1 . 2]" 1
1869 1 34 LYS HA 1 88 PHE QE . . 4.150 2.976 1.976 3.581 . 0 0 "[ . 1 . 2]" 1
1870 1 30 GLN HG3 1 88 PHE QE . . 4.460 4.228 4.007 4.465 0.005 3 0 "[ . 1 . 2]" 1
1871 1 30 GLN HG2 1 88 PHE QE . . 4.290 2.702 2.490 2.957 . 0 0 "[ . 1 . 2]" 1
1872 1 34 LYS QB 1 88 PHE QE . . 4.570 3.352 1.891 4.140 . 0 0 "[ . 1 . 2]" 1
1873 1 28 LEU HG 1 88 PHE QE . . 5.090 4.288 4.121 4.474 . 0 0 "[ . 1 . 2]" 1
1874 1 28 LEU MD2 1 88 PHE QE . . 3.180 2.872 2.642 3.105 . 0 0 "[ . 1 . 2]" 1
1875 1 30 GLN HA 1 88 PHE HZ . . 4.140 2.257 2.124 2.457 . 0 0 "[ . 1 . 2]" 1
1876 1 34 LYS QB 1 88 PHE HZ . . 5.500 4.191 2.796 4.974 . 0 0 "[ . 1 . 2]" 1
1877 1 28 LEU MD2 1 88 PHE HZ . . 4.600 4.506 4.138 4.632 0.032 20 0 "[ . 1 . 2]" 1
1878 1 88 PHE H 1 88 PHE QD . . 3.280 1.963 1.851 2.208 . 0 0 "[ . 1 . 2]" 1
1879 1 30 GLN HB3 1 88 PHE QD . . 3.530 3.392 3.033 3.551 0.021 15 0 "[ . 1 . 2]" 1
1880 1 30 GLN HG2 1 88 PHE QD . . 3.840 3.650 3.501 3.760 . 0 0 "[ . 1 . 2]" 1
1881 1 29 PHE QE 1 32 LYS HD2 . . 5.060 4.673 4.464 4.798 . 0 0 "[ . 1 . 2]" 1
1882 1 13 PHE QD 1 14 SER H . . 4.460 3.964 2.935 4.585 0.125 14 0 "[ . 1 . 2]" 1
1883 1 29 PHE QE 1 49 TRP HZ3 . . 3.680 3.550 3.444 3.681 0.001 15 0 "[ . 1 . 2]" 1
1884 1 27 THR HA 1 29 PHE QE . . 4.880 4.516 4.393 4.718 . 0 0 "[ . 1 . 2]" 1
1885 1 28 LEU HA 1 29 PHE QE . . 5.210 4.472 4.305 4.644 . 0 0 "[ . 1 . 2]" 1
1886 1 88 PHE QD 1 89 SER HA . . 3.850 3.734 3.658 3.856 0.006 16 0 "[ . 1 . 2]" 1
1887 1 30 GLN HB2 1 88 PHE HZ . . 4.510 4.151 3.910 4.530 0.020 16 0 "[ . 1 . 2]" 1
1888 1 30 GLN HG2 1 88 PHE HZ . . 4.900 4.310 4.083 4.729 . 0 0 "[ . 1 . 2]" 1
1889 1 88 PHE HZ 1 89 SER HA . . 4.770 4.715 4.651 4.752 . 0 0 "[ . 1 . 2]" 1
1890 1 80 HIS HE1 1 84 LYS QD . . 5.290 4.265 3.534 5.296 0.006 11 0 "[ . 1 . 2]" 1
1891 1 8 ASN H 1 8 ASN QB . . 3.490 2.465 2.254 2.942 . 0 0 "[ . 1 . 2]" 1
1892 1 8 ASN QB 1 8 ASN QD . . 3.070 2.174 2.066 2.493 . 0 0 "[ . 1 . 2]" 1
1893 1 9 ASP H 1 9 ASP QB . . 3.370 2.610 2.198 3.361 . 0 0 "[ . 1 . 2]" 1
1894 1 10 ALA H 1 11 VAL QG . . 5.440 4.636 3.512 5.435 . 0 0 "[ . 1 . 2]" 1
1895 1 11 VAL H 1 11 VAL QG . . 3.240 2.095 1.857 2.642 . 0 0 "[ . 1 . 2]" 1
1896 1 11 VAL QG 1 13 PHE H . . 5.070 3.988 1.927 4.607 . 0 0 "[ . 1 . 2]" 1
1897 1 11 VAL QG 1 13 PHE QB . . 5.440 4.782 1.965 5.449 0.009 7 0 "[ . 1 . 2]" 1
1898 1 12 ASP H 1 12 ASP QB . . 2.990 2.419 2.194 2.990 . 11 0 "[ . 1 . 2]" 1
1899 1 19 VAL MG2 1 78 LEU QD . . 5.440 4.021 3.866 4.179 . 0 0 "[ . 1 . 2]" 1
1900 1 20 THR HA 1 25 LYS QB . . 5.340 3.984 2.926 4.226 . 0 0 "[ . 1 . 2]" 1
1901 1 20 THR MG 1 25 LYS QB . . 3.580 2.508 1.736 2.789 . 0 0 "[ . 1 . 2]" 1
1902 1 20 THR MG 1 25 LYS QG . . 3.480 2.118 1.888 3.564 0.084 2 0 "[ . 1 . 2]" 1
1903 1 23 LYS HA 1 23 LYS QB . . 2.600 2.210 2.169 2.290 . 0 0 "[ . 1 . 2]" 1
1904 1 23 LYS QB 1 23 LYS QD . . 3.310 2.226 2.031 2.523 . 0 0 "[ . 1 . 2]" 1
1905 1 23 LYS QB 1 24 ALA H . . 4.020 3.874 3.649 3.987 . 0 0 "[ . 1 . 2]" 1
1906 1 24 ALA MB 1 58 GLU QG . . 4.480 3.462 3.033 4.021 . 0 0 "[ . 1 . 2]" 1
1907 1 25 LYS H 1 25 LYS QG . . 3.400 2.918 2.472 3.408 0.008 8 0 "[ . 1 . 2]" 1
1908 1 25 LYS H 1 45 GLU QG . . 4.760 4.278 3.902 4.729 . 0 0 "[ . 1 . 2]" 1
1909 1 25 LYS HA 1 25 LYS QG . . 3.370 2.590 2.431 3.331 . 0 0 "[ . 1 . 2]" 1
1910 1 25 LYS QB 1 25 LYS QE . . 3.750 2.604 1.965 3.658 . 0 0 "[ . 1 . 2]" 1
1911 1 25 LYS QB 1 26 GLY H . . 3.580 3.004 2.731 3.115 . 0 0 "[ . 1 . 2]" 1
1912 1 25 LYS QB 1 45 GLU QG . . 4.640 3.059 2.247 4.652 0.012 9 0 "[ . 1 . 2]" 1
1913 1 25 LYS QE 1 25 LYS QG . . 3.150 2.283 2.055 2.554 . 0 0 "[ . 1 . 2]" 1
1914 1 25 LYS QG 1 26 GLY H . . 4.390 4.130 3.471 4.284 . 0 0 "[ . 1 . 2]" 1
1915 1 28 LEU MD2 1 33 LEU QD . . 2.780 1.998 1.903 2.204 . 0 0 "[ . 1 . 2]" 1
1916 1 29 PHE QD 1 32 LYS QE . . 4.500 4.028 3.601 4.462 . 0 0 "[ . 1 . 2]" 1
1917 1 30 GLN HA 1 33 LEU QD . . 3.580 2.898 2.684 3.095 . 0 0 "[ . 1 . 2]" 1
1918 1 30 GLN HA 1 87 LEU QD . . 5.440 4.932 4.419 5.202 . 0 0 "[ . 1 . 2]" 1
1919 1 30 GLN HB3 1 87 LEU QD . . 5.050 4.908 4.208 5.113 0.063 20 0 "[ . 1 . 2]" 1
1920 1 30 GLN HG2 1 87 LEU QD . . 4.840 3.790 3.293 4.175 . 0 0 "[ . 1 . 2]" 1
1921 1 30 GLN HG3 1 87 LEU QD . . 5.440 5.023 4.498 5.460 0.020 15 0 "[ . 1 . 2]" 1
1922 1 30 GLN HE21 1 87 LEU QD . . 3.910 2.608 1.982 3.354 . 0 0 "[ . 1 . 2]" 1
1923 1 30 GLN HE22 1 87 LEU QD . . 4.890 3.439 2.710 4.205 . 0 0 "[ . 1 . 2]" 1
1924 1 31 GLU H 1 31 GLU QG . . 3.840 2.812 1.889 3.867 0.027 8 0 "[ . 1 . 2]" 1
1925 1 31 GLU H 1 34 LYS QG . . 4.970 4.529 4.104 4.938 . 0 0 "[ . 1 . 2]" 1
1926 1 31 GLU HA 1 31 GLU QG . . 3.580 3.065 2.632 3.424 . 0 0 "[ . 1 . 2]" 1
1927 1 31 GLU HA 1 34 LYS QG . . 3.540 2.892 1.994 3.534 . 0 0 "[ . 1 . 2]" 1
1928 1 31 GLU QB 1 31 GLU QG . . 2.300 2.070 2.018 2.086 . 0 0 "[ . 1 . 2]" 1
1929 1 31 GLU QG 1 32 LYS H . . 4.030 2.436 1.873 3.198 . 0 0 "[ . 1 . 2]" 1
1930 1 31 GLU QG 1 32 LYS HA . . 5.340 3.454 3.328 3.647 . 0 0 "[ . 1 . 2]" 1
1931 1 31 GLU QG 1 32 LYS HG3 . . 5.100 2.598 2.308 2.795 . 0 0 "[ . 1 . 2]" 1
1932 1 31 GLU QG 1 32 LYS HD2 . . 5.340 3.595 2.946 4.313 . 0 0 "[ . 1 . 2]" 1
1933 1 31 GLU QG 1 33 LEU H . . 5.340 4.258 3.965 4.723 . 0 0 "[ . 1 . 2]" 1
1934 1 32 LYS H 1 34 LYS QG . . 5.190 4.901 4.124 5.233 0.043 19 0 "[ . 1 . 2]" 1
1935 1 32 LYS HA 1 32 LYS QE . . 5.340 4.625 4.478 4.776 . 0 0 "[ . 1 . 2]" 1
1936 1 32 LYS HA 1 35 GLN QG . . 4.190 3.235 2.491 4.298 0.108 19 0 "[ . 1 . 2]" 1
1937 1 32 LYS QE 1 32 LYS HG2 . . 3.180 2.717 2.438 3.031 . 0 0 "[ . 1 . 2]" 1
1938 1 32 LYS QE 1 49 TRP HZ3 . . 4.100 3.611 3.441 4.070 . 0 0 "[ . 1 . 2]" 1
1939 1 32 LYS QE 1 49 TRP HZ2 . . 3.520 2.698 2.516 3.304 . 0 0 "[ . 1 . 2]" 1
1940 1 32 LYS QE 1 49 TRP HH2 . . 3.070 2.554 2.261 3.116 0.046 18 0 "[ . 1 . 2]" 1
1941 1 33 LEU HA 1 33 LEU QD . . 2.570 2.122 1.954 2.260 . 0 0 "[ . 1 . 2]" 1
1942 1 33 LEU HB2 1 33 LEU QD . . 2.730 2.090 2.030 2.143 . 0 0 "[ . 1 . 2]" 1
1943 1 33 LEU HB3 1 33 LEU QD . . 2.680 2.205 2.092 2.288 . 0 0 "[ . 1 . 2]" 1
1944 1 33 LEU HG 1 52 VAL QG . . 5.130 4.488 4.072 4.778 . 0 0 "[ . 1 . 2]" 1
1945 1 33 LEU QD 1 34 LYS H . . 4.280 4.031 3.776 4.162 . 0 0 "[ . 1 . 2]" 1
1946 1 33 LEU QD 1 34 LYS HA . . 5.440 4.402 4.163 4.536 . 0 0 "[ . 1 . 2]" 1
1947 1 33 LEU QD 1 36 GLY H . . 4.390 4.215 3.815 4.404 0.014 12 0 "[ . 1 . 2]" 1
1948 1 33 LEU QD 1 37 ALA H . . 4.250 3.983 3.496 4.267 0.017 13 0 "[ . 1 . 2]" 1
1949 1 33 LEU QD 1 37 ALA HA . . 2.860 2.232 1.925 2.646 . 0 0 "[ . 1 . 2]" 1
1950 1 33 LEU QD 1 37 ALA MB . . 3.180 2.785 2.453 3.075 . 0 0 "[ . 1 . 2]" 1
1951 1 33 LEU QD 1 41 CYS HB2 . . 4.130 3.355 2.797 3.608 . 0 0 "[ . 1 . 2]" 1
1952 1 33 LEU QD 1 41 CYS HB3 . . 4.230 3.348 3.026 3.650 . 0 0 "[ . 1 . 2]" 1
1953 1 33 LEU QD 1 41 CYS HG . . 3.630 2.208 2.012 2.504 . 0 0 "[ . 1 . 2]" 1
1954 1 33 LEU QD 1 52 VAL QG . . 3.050 2.330 1.993 2.488 . 0 0 "[ . 1 . 2]" 1
1955 1 33 LEU QD 1 67 TRP HZ3 . . 3.700 3.265 2.920 3.589 . 0 0 "[ . 1 . 2]" 1
1956 1 33 LEU QD 1 67 TRP HZ2 . . 3.600 3.418 3.203 3.604 0.004 13 0 "[ . 1 . 2]" 1
1957 1 33 LEU QD 1 67 TRP HH2 . . 2.750 2.308 2.038 2.672 . 0 0 "[ . 1 . 2]" 1
1958 1 33 LEU QD 1 88 PHE QD . . 4.030 3.856 3.711 3.984 . 0 0 "[ . 1 . 2]" 1
1959 1 33 LEU QD 1 88 PHE QE . . 3.270 2.195 1.964 2.416 . 0 0 "[ . 1 . 2]" 1
1960 1 33 LEU QD 1 88 PHE HZ . . 3.390 2.529 2.255 2.819 . 0 0 "[ . 1 . 2]" 1
1961 1 33 LEU QD 1 89 SER HA . . 4.170 2.649 2.088 3.165 . 0 0 "[ . 1 . 2]" 1
1962 1 34 LYS H 1 34 LYS QG . . 2.920 2.313 2.065 2.472 . 0 0 "[ . 1 . 2]" 1
1963 1 34 LYS QB 1 35 GLN QG . . 4.470 3.702 3.273 4.269 . 0 0 "[ . 1 . 2]" 1
1964 1 34 LYS QD 1 34 LYS QG . . 2.310 2.052 2.021 2.089 . 0 0 "[ . 1 . 2]" 1
1965 1 34 LYS QG 1 88 PHE QD . . 5.340 4.249 3.571 5.464 0.124 17 0 "[ . 1 . 2]" 1
1966 1 34 LYS QG 1 88 PHE QE . . 5.130 2.469 1.810 3.865 . 0 0 "[ . 1 . 2]" 1
1967 1 34 LYS QG 1 88 PHE HZ . . 4.630 3.278 2.532 4.443 . 0 0 "[ . 1 . 2]" 1
1968 1 35 GLN H 1 35 GLN QG . . 2.710 2.227 1.891 2.934 0.224 19 0 "[ . 1 . 2]" 1
1969 1 35 GLN HA 1 35 GLN QG . . 3.100 2.504 2.335 3.163 0.063 7 0 "[ . 1 . 2]" 1
1970 1 35 GLN HB2 1 39 LYS QG . . 4.070 3.083 1.991 4.080 0.010 12 0 "[ . 1 . 2]" 1
1971 1 35 GLN HB2 1 39 LYS QE . . 4.700 3.668 2.066 4.702 0.002 15 0 "[ . 1 . 2]" 1
1972 1 35 GLN HB3 1 35 GLN QG . . 2.500 2.373 2.153 2.476 . 0 0 "[ . 1 . 2]" 1
1973 1 35 GLN HB3 1 39 LYS QB . . 4.650 4.278 3.926 4.647 . 0 0 "[ . 1 . 2]" 1
1974 1 35 GLN HB3 1 39 LYS QG . . 4.130 3.288 2.443 4.062 . 0 0 "[ . 1 . 2]" 1
1975 1 35 GLN HB3 1 39 LYS QE . . 3.820 3.077 1.968 3.822 0.002 16 0 "[ . 1 . 2]" 1
1976 1 35 GLN QG 1 36 GLY H . . 4.230 3.927 3.702 4.313 0.083 15 0 "[ . 1 . 2]" 1
1977 1 36 GLY H 1 39 LYS QB . . 5.340 3.599 3.242 4.005 . 0 0 "[ . 1 . 2]" 1
1978 1 36 GLY H 1 39 LYS QG . . 5.340 3.876 3.189 5.013 . 0 0 "[ . 1 . 2]" 1
1979 1 36 GLY HA3 1 39 LYS QG . . 5.340 3.566 2.747 4.818 . 0 0 "[ . 1 . 2]" 1
1980 1 37 ALA HA 1 52 VAL QG . . 3.390 2.129 1.965 2.290 . 0 0 "[ . 1 . 2]" 1
1981 1 37 ALA MB 1 52 VAL QG . . 3.140 2.019 1.822 2.288 . 0 0 "[ . 1 . 2]" 1
1982 1 38 SER H 1 39 LYS QB . . 5.010 4.344 3.995 4.828 . 0 0 "[ . 1 . 2]" 1
1983 1 38 SER QB 1 39 LYS H . . 3.740 3.046 2.601 3.636 . 0 0 "[ . 1 . 2]" 1
1984 1 39 LYS H 1 39 LYS QB . . 2.580 2.442 2.346 2.542 . 0 0 "[ . 1 . 2]" 1
1985 1 39 LYS H 1 39 LYS QG . . 3.290 2.496 2.021 3.311 0.021 15 0 "[ . 1 . 2]" 1
1986 1 39 LYS H 1 39 LYS QE . . 5.260 4.441 3.738 5.079 . 0 0 "[ . 1 . 2]" 1
1987 1 39 LYS HA 1 39 LYS QB . . 2.640 2.366 2.319 2.413 . 0 0 "[ . 1 . 2]" 1
1988 1 39 LYS HA 1 39 LYS QG . . 3.320 2.569 2.259 2.959 . 0 0 "[ . 1 . 2]" 1
1989 1 39 LYS QB 1 39 LYS QD . . 3.310 2.212 2.031 2.554 . 0 0 "[ . 1 . 2]" 1
1990 1 39 LYS QB 1 40 LYS H . . 3.050 2.799 2.362 2.996 . 0 0 "[ . 1 . 2]" 1
1991 1 39 LYS QD 1 39 LYS QG . . 2.360 2.068 2.016 2.092 . 0 0 "[ . 1 . 2]" 1
1992 1 39 LYS QE 1 39 LYS QG . . 2.990 2.205 2.063 2.398 . 0 0 "[ . 1 . 2]" 1
1993 1 41 CYS HG 1 52 VAL QG . . 3.570 2.339 2.189 2.540 . 0 0 "[ . 1 . 2]" 1
1994 1 42 ILE MG 1 50 LEU QD . . 3.200 2.946 2.698 3.113 . 0 0 "[ . 1 . 2]" 1
1995 1 42 ILE HG13 1 52 VAL QG . . 5.300 3.531 3.143 3.845 . 0 0 "[ . 1 . 2]" 1
1996 1 42 ILE MD 1 78 LEU QD . . 5.440 4.104 3.862 4.335 . 0 0 "[ . 1 . 2]" 1
1997 1 44 ASN H 1 48 ASP QB . . 4.220 4.103 3.934 4.225 0.005 10 0 "[ . 1 . 2]" 1
1998 1 44 ASN H 1 50 LEU QD . . 3.390 3.050 2.211 3.389 . 0 0 "[ . 1 . 2]" 1
1999 1 44 ASN HA 1 50 LEU QD . . 4.050 3.891 3.509 4.057 0.007 9 0 "[ . 1 . 2]" 1
2000 1 44 ASN HB2 1 50 LEU QD . . 3.630 3.442 3.341 3.629 . 0 0 "[ . 1 . 2]" 1
2001 1 44 ASN HB3 1 50 LEU QD . . 2.980 2.062 1.945 2.297 . 0 0 "[ . 1 . 2]" 1
2002 1 44 ASN HD21 1 48 ASP QB . . 3.390 3.024 2.545 3.385 . 0 0 "[ . 1 . 2]" 1
2003 1 44 ASN HD21 1 50 LEU QD . . 3.140 2.907 2.429 3.150 0.010 1 0 "[ . 1 . 2]" 1
2004 1 44 ASN HD22 1 48 ASP QB . . 2.860 1.983 1.894 2.434 . 0 0 "[ . 1 . 2]" 1
2005 1 44 ASN HD22 1 50 LEU QD . . 3.970 3.738 3.341 3.994 0.024 14 0 "[ . 1 . 2]" 1
2006 1 45 GLU H 1 50 LEU QD . . 5.440 5.149 4.961 5.310 . 0 0 "[ . 1 . 2]" 1
2007 1 45 GLU QB 1 45 GLU QG . . 2.280 2.037 2.016 2.062 . 0 0 "[ . 1 . 2]" 1
2008 1 45 GLU QG 1 46 ALA H . . 4.180 3.774 2.114 4.173 . 0 0 "[ . 1 . 2]" 1
2009 1 46 ALA MB 1 48 ASP QB . . 3.660 2.983 2.711 3.169 . 0 0 "[ . 1 . 2]" 1
2010 1 47 GLY H 1 48 ASP QB . . 4.860 4.589 4.373 4.740 . 0 0 "[ . 1 . 2]" 1
2011 1 48 ASP H 1 48 ASP QB . . 2.550 2.346 2.170 2.464 . 0 0 "[ . 1 . 2]" 1
2012 1 48 ASP QB 1 49 TRP H . . 3.520 3.372 3.111 3.516 . 0 0 "[ . 1 . 2]" 1
2013 1 48 ASP QB 1 50 LEU QD . . 3.500 3.132 2.556 3.350 . 0 0 "[ . 1 . 2]" 1
2014 1 50 LEU H 1 50 LEU QD . . 3.680 3.379 2.202 3.631 . 0 0 "[ . 1 . 2]" 1
2015 1 50 LEU HA 1 50 LEU QD . . 2.690 2.314 1.906 2.520 . 0 0 "[ . 1 . 2]" 1
2016 1 50 LEU HB2 1 50 LEU QD . . 3.100 2.060 1.970 2.186 . 0 0 "[ . 1 . 2]" 1
2017 1 50 LEU HB3 1 50 LEU QD . . 2.880 2.112 1.982 2.374 . 0 0 "[ . 1 . 2]" 1
2018 1 50 LEU QD 1 51 THR H . . 3.730 3.501 3.365 3.654 . 0 0 "[ . 1 . 2]" 1
2019 1 50 LEU QD 1 54 GLU H . . 5.440 4.972 4.781 5.410 . 0 0 "[ . 1 . 2]" 1
2020 1 50 LEU QD 1 54 GLU HB2 . . 3.630 3.232 2.918 3.594 . 0 0 "[ . 1 . 2]" 1
2021 1 50 LEU QD 1 54 GLU HB3 . . 2.860 2.341 2.029 2.920 0.060 7 0 "[ . 1 . 2]" 1
2022 1 50 LEU QD 1 54 GLU QG . . 4.060 3.364 2.529 3.774 . 0 0 "[ . 1 . 2]" 1
2023 1 50 LEU QD 1 55 PHE H . . 4.150 3.646 3.412 4.046 . 0 0 "[ . 1 . 2]" 1
2024 1 50 LEU QD 1 55 PHE HA . . 3.540 2.722 2.215 3.583 0.043 7 0 "[ . 1 . 2]" 1
2025 1 50 LEU QD 1 55 PHE HB2 . . 3.790 3.423 3.074 3.782 . 0 0 "[ . 1 . 2]" 1
2026 1 50 LEU QD 1 55 PHE HB3 . . 5.310 4.608 4.320 5.004 . 0 0 "[ . 1 . 2]" 1
2027 1 50 LEU QD 1 55 PHE QD . . 2.980 2.445 2.079 3.025 0.045 18 0 "[ . 1 . 2]" 1
2028 1 50 LEU QD 1 55 PHE QE . . 4.200 3.911 3.698 4.177 . 0 0 "[ . 1 . 2]" 1
2029 1 50 LEU QD 1 58 GLU HB2 . . 5.000 3.777 3.317 4.680 . 0 0 "[ . 1 . 2]" 1
2030 1 50 LEU QD 1 58 GLU QG . . 3.510 2.512 1.989 3.356 . 0 0 "[ . 1 . 2]" 1
2031 1 51 THR HB 1 52 VAL QG . . 4.170 4.088 3.968 4.204 0.034 5 0 "[ . 1 . 2]" 1
2032 1 52 VAL H 1 52 VAL QG . . 2.600 1.932 1.848 2.208 . 0 0 "[ . 1 . 2]" 1
2033 1 52 VAL HA 1 52 VAL QG . . 2.680 2.131 2.055 2.178 . 0 0 "[ . 1 . 2]" 1
2034 1 52 VAL HA 1 56 LEU QD . . 4.880 4.147 3.799 4.387 . 0 0 "[ . 1 . 2]" 1
2035 1 52 VAL QG 1 53 LYS H . . 3.460 3.344 3.273 3.422 . 0 0 "[ . 1 . 2]" 1
2036 1 52 VAL QG 1 53 LYS HA . . 3.810 3.505 3.357 3.734 . 0 0 "[ . 1 . 2]" 1
2037 1 52 VAL QG 1 53 LYS QB . . 4.490 4.132 3.912 4.452 . 0 0 "[ . 1 . 2]" 1
2038 1 52 VAL QG 1 56 LEU H . . 5.270 4.821 4.669 4.990 . 0 0 "[ . 1 . 2]" 1
2039 1 52 VAL QG 1 56 LEU HG . . 4.230 3.755 3.586 3.936 . 0 0 "[ . 1 . 2]" 1
2040 1 52 VAL QG 1 56 LEU QD . . 3.370 2.879 2.665 2.986 . 0 0 "[ . 1 . 2]" 1
2041 1 52 VAL QG 1 67 TRP HA . . 4.460 4.058 3.935 4.188 . 0 0 "[ . 1 . 2]" 1
2042 1 52 VAL QG 1 67 TRP HB2 . . 3.090 2.259 2.130 2.337 . 0 0 "[ . 1 . 2]" 1
2043 1 52 VAL QG 1 67 TRP HB3 . . 3.390 2.306 2.107 2.593 . 0 0 "[ . 1 . 2]" 1
2044 1 52 VAL QG 1 67 TRP HD1 . . 3.350 2.931 2.636 3.304 . 0 0 "[ . 1 . 2]" 1
2045 1 52 VAL QG 1 67 TRP HE3 . . 3.540 2.664 2.346 3.044 . 0 0 "[ . 1 . 2]" 1
2046 1 52 VAL QG 1 67 TRP HE1 . . 4.300 3.278 3.081 3.687 . 0 0 "[ . 1 . 2]" 1
2047 1 52 VAL QG 1 67 TRP HZ2 . . 4.240 3.680 3.504 3.882 . 0 0 "[ . 1 . 2]" 1
2048 1 52 VAL QG 1 71 ILE HB . . 5.440 5.110 4.819 5.361 . 0 0 "[ . 1 . 2]" 1
2049 1 52 VAL QG 1 71 ILE MD . . 3.350 2.709 2.450 2.954 . 0 0 "[ . 1 . 2]" 1
2050 1 53 LYS H 1 53 LYS QG . . 4.250 3.650 2.680 4.104 . 0 0 "[ . 1 . 2]" 1
2051 1 53 LYS H 1 56 LEU QD . . 5.010 4.333 4.099 4.498 . 0 0 "[ . 1 . 2]" 1
2052 1 53 LYS HA 1 53 LYS QG . . 3.210 2.373 2.204 2.590 . 0 0 "[ . 1 . 2]" 1
2053 1 53 LYS HA 1 56 LEU QD . . 3.660 2.128 1.962 2.373 . 0 0 "[ . 1 . 2]" 1
2054 1 53 LYS QE 1 53 LYS QG . . 3.440 2.204 2.037 2.490 . 0 0 "[ . 1 . 2]" 1
2055 1 54 GLU HA 1 57 ASN QD . . 4.410 3.343 2.493 4.335 . 0 0 "[ . 1 . 2]" 1
2056 1 55 PHE HA 1 58 GLU QG . . 4.470 3.336 3.154 3.838 . 0 0 "[ . 1 . 2]" 1
2057 1 55 PHE HB3 1 56 LEU QD . . 4.980 2.978 2.601 3.359 . 0 0 "[ . 1 . 2]" 1
2058 1 55 PHE QD 1 56 LEU QD . . 5.180 2.719 2.453 2.993 . 0 0 "[ . 1 . 2]" 1
2059 1 55 PHE QD 1 58 GLU QG . . 4.920 4.060 3.750 4.740 . 0 0 "[ . 1 . 2]" 1
2060 1 56 LEU H 1 56 LEU QD . . 3.250 2.698 2.460 2.870 . 0 0 "[ . 1 . 2]" 1
2061 1 56 LEU HB2 1 56 LEU QD . . 3.100 2.289 2.122 2.378 . 0 0 "[ . 1 . 2]" 1
2062 1 56 LEU HB3 1 56 LEU QD . . 2.520 2.060 2.030 2.119 . 0 0 "[ . 1 . 2]" 1
2063 1 56 LEU HB3 1 64 SER QB . . 5.340 4.286 3.581 4.682 . 0 0 "[ . 1 . 2]" 1
2064 1 56 LEU QD 1 57 ASN H . . 4.100 3.839 3.751 3.926 . 0 0 "[ . 1 . 2]" 1
2065 1 56 LEU QD 1 61 ARG HB3 . . 4.010 3.430 3.066 3.937 . 0 0 "[ . 1 . 2]" 1
2066 1 56 LEU QD 1 64 SER QB . . 4.180 3.288 2.633 3.745 . 0 0 "[ . 1 . 2]" 1
2067 1 56 LEU QD 1 67 TRP H . . 4.490 3.880 3.639 4.034 . 0 0 "[ . 1 . 2]" 1
2068 1 56 LEU QD 1 67 TRP HA . . 2.810 2.269 2.081 2.382 . 0 0 "[ . 1 . 2]" 1
2069 1 56 LEU QD 1 67 TRP HB2 . . 2.890 2.487 2.249 2.694 . 0 0 "[ . 1 . 2]" 1
2070 1 56 LEU QD 1 71 ILE HG13 . . 3.790 2.259 2.088 2.384 . 0 0 "[ . 1 . 2]" 1
2071 1 57 ASN HA 1 57 ASN QD . . 4.050 3.382 2.743 3.906 . 0 0 "[ . 1 . 2]" 1
2072 1 57 ASN QD 1 62 ALA HA . . 5.340 3.655 1.974 5.169 . 0 0 "[ . 1 . 2]" 1
2073 1 57 ASN QD 1 62 ALA MB . . 3.780 2.312 1.852 3.073 . 0 0 "[ . 1 . 2]" 1
2074 1 58 GLU H 1 58 GLU QG . . 3.560 2.808 2.737 3.335 . 0 0 "[ . 1 . 2]" 1
2075 1 58 GLU HA 1 58 GLU QG . . 3.100 2.510 2.108 2.813 . 0 0 "[ . 1 . 2]" 1
2076 1 58 GLU QG 1 59 GLY H . . 4.490 4.425 4.342 4.554 0.064 8 0 "[ . 1 . 2]" 1
2077 1 61 ARG H 1 61 ARG QD . . 5.070 4.184 2.778 4.823 . 0 0 "[ . 1 . 2]" 1
2078 1 61 ARG HB2 1 61 ARG QD . . 3.450 2.733 2.168 3.295 . 0 0 "[ . 1 . 2]" 1
2079 1 61 ARG HB2 1 64 SER QB . . 4.500 4.002 3.653 4.343 . 0 0 "[ . 1 . 2]" 1
2080 1 61 ARG HB3 1 61 ARG QD . . 3.260 2.527 2.065 3.257 . 0 0 "[ . 1 . 2]" 1
2081 1 61 ARG HB3 1 64 SER QB . . 3.970 2.451 2.067 2.981 . 0 0 "[ . 1 . 2]" 1
2082 1 61 ARG QD 1 64 SER QB . . 5.110 3.335 2.212 4.862 . 0 0 "[ . 1 . 2]" 1
2083 1 61 ARG QD 1 70 VAL HB . . 4.160 2.845 1.974 3.515 . 0 0 "[ . 1 . 2]" 1
2084 1 61 ARG QD 1 70 VAL MG1 . . 3.650 2.354 1.793 3.651 0.001 10 0 "[ . 1 . 2]" 1
2085 1 61 ARG QD 1 70 VAL MG2 . . 4.800 3.907 3.485 4.615 . 0 0 "[ . 1 . 2]" 1
2086 1 64 SER H 1 64 SER QB . . 2.770 2.244 2.135 2.587 . 0 0 "[ . 1 . 2]" 1
2087 1 64 SER QB 1 70 VAL HB . . 5.250 4.119 3.905 4.546 . 0 0 "[ . 1 . 2]" 1
2088 1 64 SER QB 1 70 VAL MG2 . . 3.540 3.227 2.898 3.534 . 0 0 "[ . 1 . 2]" 1
2089 1 65 LYS H 1 65 LYS QG . . 4.450 3.276 1.888 4.123 . 0 0 "[ . 1 . 2]" 1
2090 1 65 LYS H 1 65 LYS QD . . 4.710 3.720 1.881 4.580 . 0 0 "[ . 1 . 2]" 1
2091 1 65 LYS QB 1 65 LYS QD . . 2.450 2.199 2.081 2.445 . 0 0 "[ . 1 . 2]" 1
2092 1 65 LYS QE 1 65 LYS QG . . 3.380 2.204 2.053 2.409 . 0 0 "[ . 1 . 2]" 1
2093 1 66 ASP QB 1 67 TRP H . . 3.950 3.567 3.387 3.918 . 0 0 "[ . 1 . 2]" 1
2094 1 66 ASP QB 1 68 LYS H . . 5.230 3.567 3.217 4.272 . 0 0 "[ . 1 . 2]" 1
2095 1 66 ASP QB 1 69 GLY H . . 4.200 2.914 2.575 3.395 . 0 0 "[ . 1 . 2]" 1
2096 1 66 ASP QB 1 70 VAL MG1 . . 4.800 4.022 3.422 4.791 . 0 0 "[ . 1 . 2]" 1
2097 1 67 TRP HE3 1 78 LEU QD . . 2.750 2.397 2.134 2.557 . 0 0 "[ . 1 . 2]" 1
2098 1 67 TRP HE1 1 68 LYS QE . . 4.710 3.134 2.520 3.886 . 0 0 "[ . 1 . 2]" 1
2099 1 67 TRP HZ3 1 78 LEU QD . . 3.130 1.871 1.780 1.938 . 0 0 "[ . 1 . 2]" 1
2100 1 67 TRP HZ3 1 87 LEU QD . . 4.380 3.878 3.584 4.297 . 0 0 "[ . 1 . 2]" 1
2101 1 67 TRP HZ2 1 68 LYS QE . . 3.240 2.140 1.983 2.399 . 0 0 "[ . 1 . 2]" 1
2102 1 67 TRP HZ2 1 89 SER QB . . 4.940 4.831 4.536 4.959 0.019 19 0 "[ . 1 . 2]" 1
2103 1 67 TRP HH2 1 68 LYS QE . . 3.410 2.935 2.473 3.372 . 0 0 "[ . 1 . 2]" 1
2104 1 67 TRP HH2 1 78 LEU QD . . 4.290 3.458 3.254 3.735 . 0 0 "[ . 1 . 2]" 1
2105 1 67 TRP HH2 1 87 LEU QD . . 4.820 3.764 3.522 4.118 . 0 0 "[ . 1 . 2]" 1
2106 1 67 TRP HH2 1 89 SER QB . . 4.280 4.219 4.017 4.298 0.018 5 0 "[ . 1 . 2]" 1
2107 1 68 LYS H 1 68 LYS QD . . 4.330 3.712 3.293 4.017 . 0 0 "[ . 1 . 2]" 1
2108 1 68 LYS H 1 68 LYS QE . . 5.340 4.109 3.695 4.601 . 0 0 "[ . 1 . 2]" 1
2109 1 68 LYS HA 1 68 LYS QD . . 4.480 4.036 3.932 4.112 . 0 0 "[ . 1 . 2]" 1
2110 1 68 LYS HA 1 78 LEU QD . . 3.440 1.998 1.919 2.151 . 0 0 "[ . 1 . 2]" 1
2111 1 68 LYS QE 1 68 LYS HG2 . . 3.200 2.588 2.279 2.817 . 0 0 "[ . 1 . 2]" 1
2112 1 68 LYS HG2 1 78 LEU QD . . 4.060 2.569 2.017 3.084 . 0 0 "[ . 1 . 2]" 1
2113 1 68 LYS QE 1 68 LYS HG3 . . 3.170 2.283 2.172 2.559 . 0 0 "[ . 1 . 2]" 1
2114 1 68 LYS QD 1 79 ARG HA . . 4.200 3.360 3.040 3.648 . 0 0 "[ . 1 . 2]" 1
2115 1 71 ILE H 1 78 LEU QD . . 5.180 3.972 3.665 4.235 . 0 0 "[ . 1 . 2]" 1
2116 1 71 ILE HB 1 78 LEU QD . . 2.500 2.113 1.948 2.502 0.002 8 0 "[ . 1 . 2]" 1
2117 1 71 ILE MG 1 78 LEU QD . . 2.900 2.102 1.857 2.350 . 0 0 "[ . 1 . 2]" 1
2118 1 71 ILE HG13 1 78 LEU QD . . 5.010 3.919 3.670 4.244 . 0 0 "[ . 1 . 2]" 1
2119 1 71 ILE MD 1 78 LEU QD . . 3.170 2.428 2.063 2.718 . 0 0 "[ . 1 . 2]" 1
2120 1 72 ARG H 1 72 ARG QD . . 5.260 4.485 4.158 4.719 . 0 0 "[ . 1 . 2]" 1
2121 1 72 ARG HA 1 72 ARG QD . . 4.300 3.874 3.656 4.034 . 0 0 "[ . 1 . 2]" 1
2122 1 72 ARG HB3 1 72 ARG QD . . 3.040 2.274 2.172 2.353 . 0 0 "[ . 1 . 2]" 1
2123 1 72 ARG QD 1 73 CYS H . . 5.280 4.902 4.613 5.132 . 0 0 "[ . 1 . 2]" 1
2124 1 72 ARG QD 1 75 GLY H . . 5.050 4.490 3.699 4.760 . 0 0 "[ . 1 . 2]" 1
2125 1 72 ARG QD 1 75 GLY HA2 . . 3.920 3.441 2.788 3.741 . 0 0 "[ . 1 . 2]" 1
2126 1 72 ARG QD 1 75 GLY HA3 . . 5.200 4.829 3.917 5.168 . 0 0 "[ . 1 . 2]" 1
2127 1 72 ARG QD 1 76 GLU H . . 5.160 4.798 3.495 5.165 0.005 12 0 "[ . 1 . 2]" 1
2128 1 72 ARG QD 1 77 THR HA . . 5.100 4.452 4.127 4.808 . 0 0 "[ . 1 . 2]" 1
2129 1 72 ARG QD 1 77 THR MG . . 4.150 3.169 2.614 3.887 . 0 0 "[ . 1 . 2]" 1
2130 1 73 CYS H 1 78 LEU QD . . 4.050 3.640 3.093 3.930 . 0 0 "[ . 1 . 2]" 1
2131 1 73 CYS HB2 1 78 LEU QD . . 3.250 2.287 1.944 2.633 . 0 0 "[ . 1 . 2]" 1
2132 1 73 CYS HB3 1 78 LEU QD . . 4.280 2.941 2.621 3.730 . 0 0 "[ . 1 . 2]" 1
2133 1 74 ASN H 1 74 ASN QB . . 3.490 3.133 2.374 3.413 . 0 0 "[ . 1 . 2]" 1
2134 1 74 ASN QB 1 74 ASN HD21 . . 2.830 2.296 2.114 2.610 . 0 0 "[ . 1 . 2]" 1
2135 1 74 ASN QB 1 74 ASN HD22 . . 3.510 3.284 3.213 3.424 . 0 0 "[ . 1 . 2]" 1
2136 1 74 ASN QB 1 75 GLY H . . 3.910 3.776 3.654 3.821 . 0 0 "[ . 1 . 2]" 1
2137 1 76 GLU H 1 76 GLU QG . . 3.850 3.656 3.401 3.828 . 0 0 "[ . 1 . 2]" 1
2138 1 76 GLU HA 1 76 GLU QG . . 3.250 2.312 2.233 2.566 . 0 0 "[ . 1 . 2]" 1
2139 1 76 GLU HB3 1 76 GLU QG . . 2.510 2.159 2.141 2.210 . 0 0 "[ . 1 . 2]" 1
2140 1 76 GLU QG 1 77 THR H . . 4.090 3.853 3.493 4.049 . 0 0 "[ . 1 . 2]" 1
2141 1 76 GLU QG 1 80 HIS HB3 . . 4.000 3.734 3.095 3.941 . 0 0 "[ . 1 . 2]" 1
2142 1 76 GLU QG 1 80 HIS HD2 . . 3.610 3.211 2.732 3.593 . 0 0 "[ . 1 . 2]" 1
2143 1 76 GLU QG 1 81 LEU MD2 . . 4.020 3.302 2.936 3.756 . 0 0 "[ . 1 . 2]" 1
2144 1 78 LEU H 1 78 LEU QD . . 3.070 2.923 2.845 3.064 . 0 0 "[ . 1 . 2]" 1
2145 1 78 LEU HA 1 78 LEU QD . . 2.610 1.970 1.958 2.060 . 0 0 "[ . 1 . 2]" 1
2146 1 78 LEU HA 1 87 LEU QD . . 3.400 2.731 2.169 3.291 . 0 0 "[ . 1 . 2]" 1
2147 1 78 LEU HB2 1 78 LEU QD . . 3.000 2.211 2.135 2.312 . 0 0 "[ . 1 . 2]" 1
2148 1 78 LEU HB2 1 87 LEU QD . . 4.180 3.500 3.262 3.756 . 0 0 "[ . 1 . 2]" 1
2149 1 78 LEU HB3 1 78 LEU QD . . 2.720 2.124 2.052 2.167 . 0 0 "[ . 1 . 2]" 1
2150 1 78 LEU HB3 1 87 LEU QD . . 3.080 2.143 1.892 2.412 . 0 0 "[ . 1 . 2]" 1
2151 1 78 LEU QD 1 79 ARG H . . 5.040 3.984 3.926 4.084 . 0 0 "[ . 1 . 2]" 1
2152 1 78 LEU QD 1 81 LEU H . . 4.890 4.849 4.770 4.900 0.010 5 0 "[ . 1 . 2]" 1
2153 1 79 ARG H 1 79 ARG QG . . 4.360 3.986 3.941 4.037 . 0 0 "[ . 1 . 2]" 1
2154 1 79 ARG H 1 79 ARG QD . . 5.030 4.427 4.199 4.727 . 0 0 "[ . 1 . 2]" 1
2155 1 79 ARG H 1 87 LEU QD . . 5.360 4.524 4.329 4.730 . 0 0 "[ . 1 . 2]" 1
2156 1 79 ARG HA 1 79 ARG QG . . 3.210 2.644 2.452 3.071 . 0 0 "[ . 1 . 2]" 1
2157 1 79 ARG HA 1 79 ARG QD . . 4.280 3.484 2.024 4.248 . 0 0 "[ . 1 . 2]" 1
2158 1 79 ARG HB3 1 79 ARG QD . . 3.490 2.634 2.098 3.423 . 0 0 "[ . 1 . 2]" 1
2159 1 79 ARG QG 1 80 HIS H . . 4.300 3.653 3.220 4.014 . 0 0 "[ . 1 . 2]" 1
2160 1 79 ARG QG 1 80 HIS HA . . 4.730 3.733 3.256 4.220 . 0 0 "[ . 1 . 2]" 1
2161 1 79 ARG QG 1 80 HIS HB2 . . 5.340 4.896 4.279 5.339 . 0 0 "[ . 1 . 2]" 1
2162 1 79 ARG QG 1 82 GLU H . . 5.340 4.991 4.690 5.189 . 0 0 "[ . 1 . 2]" 1
2163 1 79 ARG QG 1 83 GLN QG . . 4.370 2.876 2.471 3.420 . 0 0 "[ . 1 . 2]" 1
2164 1 79 ARG QG 1 83 GLN HE21 . . 4.260 2.676 1.918 3.702 . 0 0 "[ . 1 . 2]" 1
2165 1 79 ARG QG 1 83 GLN HE22 . . 4.360 3.907 3.129 4.364 0.004 19 0 "[ . 1 . 2]" 1
2166 1 79 ARG QD 1 83 GLN HE21 . . 4.620 2.563 1.842 3.136 . 0 0 "[ . 1 . 2]" 1
2167 1 80 HIS HA 1 83 GLN QG . . 4.010 3.231 2.703 3.602 . 0 0 "[ . 1 . 2]" 1
2168 1 81 LEU HA 1 84 LYS QE . . 5.340 4.266 3.844 4.810 . 0 0 "[ . 1 . 2]" 1
2169 1 81 LEU HB2 1 87 LEU QD . . 4.050 2.919 2.234 3.477 . 0 0 "[ . 1 . 2]" 1
2170 1 82 GLU H 1 82 GLU QG . . 4.030 3.988 3.938 4.055 0.025 3 0 "[ . 1 . 2]" 1
2171 1 82 GLU H 1 87 LEU QD . . 3.660 3.462 3.012 3.671 0.011 10 0 "[ . 1 . 2]" 1
2172 1 82 GLU HA 1 87 LEU QD . . 4.680 3.843 3.551 4.051 . 0 0 "[ . 1 . 2]" 1
2173 1 82 GLU HB2 1 87 LEU QD . . 3.540 2.788 2.194 3.356 . 0 0 "[ . 1 . 2]" 1
2174 1 82 GLU HB3 1 87 LEU QD . . 4.880 4.136 3.629 4.581 . 0 0 "[ . 1 . 2]" 1
2175 1 82 GLU QG 1 83 GLN H . . 4.430 3.880 3.480 4.218 . 0 0 "[ . 1 . 2]" 1
2176 1 82 GLU QG 1 86 LEU H . . 5.260 4.937 4.686 5.290 0.030 19 0 "[ . 1 . 2]" 1
2177 1 82 GLU QG 1 87 LEU H . . 5.340 4.179 3.684 4.662 . 0 0 "[ . 1 . 2]" 1
2178 1 82 GLU QG 1 87 LEU HB3 . . 5.250 3.591 3.043 4.290 . 0 0 "[ . 1 . 2]" 1
2179 1 82 GLU QG 1 87 LEU QD . . 4.760 3.735 3.240 4.422 . 0 0 "[ . 1 . 2]" 1
2180 1 83 GLN H 1 83 GLN QG . . 3.060 2.362 1.970 2.630 . 0 0 "[ . 1 . 2]" 1
2181 1 83 GLN HA 1 83 GLN QG . . 3.330 2.385 2.200 2.827 . 0 0 "[ . 1 . 2]" 1
2182 1 83 GLN QG 1 84 LYS H . . 4.460 4.182 3.948 4.293 . 0 0 "[ . 1 . 2]" 1
2183 1 84 LYS HB3 1 84 LYS QE . . 4.040 2.441 2.078 2.551 . 0 0 "[ . 1 . 2]" 1
2184 1 84 LYS QE 1 86 LEU HG . . 4.290 3.851 3.583 4.306 0.016 19 0 "[ . 1 . 2]" 1
2185 1 87 LEU H 1 87 LEU QD . . 3.910 3.830 3.771 3.895 . 0 0 "[ . 1 . 2]" 1
2186 1 87 LEU HA 1 87 LEU QD . . 3.420 2.505 2.228 2.914 . 0 0 "[ . 1 . 2]" 1
2187 1 87 LEU HB2 1 87 LEU QD . . 2.790 2.067 1.989 2.207 . 0 0 "[ . 1 . 2]" 1
2188 1 87 LEU HB3 1 87 LEU QD . . 2.900 2.055 1.975 2.241 . 0 0 "[ . 1 . 2]" 1
2189 1 87 LEU QD 1 88 PHE H . . 3.560 2.973 2.681 3.323 . 0 0 "[ . 1 . 2]" 1
2190 1 87 LEU QD 1 88 PHE QE . . 4.380 3.271 2.605 3.614 . 0 0 "[ . 1 . 2]" 1
2191 1 87 LEU QD 1 89 SER H . . 4.960 2.474 1.686 3.073 . 0 0 "[ . 1 . 2]" 1
2192 1 87 LEU QD 1 89 SER HA . . 3.910 2.668 2.203 3.155 . 0 0 "[ . 1 . 2]" 1
2193 1 87 LEU QD 1 89 SER QB . . 5.280 2.433 1.968 3.557 . 0 0 "[ . 1 . 2]" 1
2194 1 88 PHE QE 1 90 GLY QA . . 3.680 2.025 1.979 2.268 . 0 0 "[ . 1 . 2]" 1
2195 1 88 PHE HZ 1 90 GLY QA . . 4.420 3.190 2.866 3.516 . 0 0 "[ . 1 . 2]" 1
2196 1 89 SER H 1 89 SER QB . . 3.330 2.976 2.841 3.320 . 0 0 "[ . 1 . 2]" 1
2197 1 91 PRO QB 1 92 SER H . . 3.810 2.984 2.054 3.739 . 0 0 "[ . 1 . 2]" 1
2198 1 91 PRO QB 1 93 SER H . . 5.340 4.249 2.762 5.099 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 4
_Distance_constraint_stats_list.Viol_count 15
_Distance_constraint_stats_list.Viol_total 37.727
_Distance_constraint_stats_list.Viol_max 0.303
_Distance_constraint_stats_list.Viol_rms 0.0685
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0236
_Distance_constraint_stats_list.Viol_average_violations_only 0.1258
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 28 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ILE 0.011 0.007 4 0 "[ . 1 . 2]"
1 78 LEU 1.886 0.303 6 0 "[ . 1 . 2]"
1 81 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 LEU 1.875 0.303 6 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 78 LEU MD2 1 87 LEU MD1 . . 2.500 2.396 1.707 2.803 0.303 6 0 "[ . 1 . 2]" 2
2 1 81 LEU MD2 1 86 LEU MD1 . . 3.500 1.924 1.777 2.130 . 0 0 "[ . 1 . 2]" 2
3 1 71 ILE HB 1 78 LEU HG . . 3.000 2.936 2.817 3.007 0.007 4 0 "[ . 1 . 2]" 2
4 1 28 LEU HG 1 29 PHE HA . . 4.000 3.703 3.638 3.794 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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