NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
409905 |
1zub   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1zub
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 1227
_Distance_constraint_stats_list.Viol_count 927
_Distance_constraint_stats_list.Viol_total 576.801
_Distance_constraint_stats_list.Viol_max 0.495
_Distance_constraint_stats_list.Viol_rms 0.0101
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0311
_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 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 THR 0.167 0.017 8 0 "[ . 1 . 2]"
1 10 TRP 0.389 0.074 5 0 "[ . 1 . 2]"
1 11 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 PRO 0.030 0.012 10 0 "[ . 1 . 2]"
1 13 SER 0.210 0.121 20 0 "[ . 1 . 2]"
1 14 LYS 0.147 0.050 10 0 "[ . 1 . 2]"
1 15 GLU 0.265 0.050 10 0 "[ . 1 . 2]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ASP 0.008 0.008 12 0 "[ . 1 . 2]"
1 18 ARG 0.311 0.121 20 0 "[ . 1 . 2]"
1 19 LEU 0.448 0.074 5 0 "[ . 1 . 2]"
1 20 ILE 0.003 0.002 12 0 "[ . 1 . 2]"
1 21 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ARG 0.703 0.042 17 0 "[ . 1 . 2]"
1 23 VAL 1.883 0.089 6 0 "[ . 1 . 2]"
1 24 ILE 0.037 0.020 6 0 "[ . 1 . 2]"
1 25 LEU 0.394 0.088 18 0 "[ . 1 . 2]"
1 26 ASN 0.023 0.011 7 0 "[ . 1 . 2]"
1 27 LYS 1.125 0.145 16 0 "[ . 1 . 2]"
1 28 ARG 0.068 0.016 7 0 "[ . 1 . 2]"
1 29 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LYS 0.214 0.158 20 0 "[ . 1 . 2]"
1 34 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ALA 0.772 0.062 1 0 "[ . 1 . 2]"
1 38 LEU 3.953 0.208 18 0 "[ . 1 . 2]"
1 39 LEU 3.964 0.208 18 0 "[ . 1 . 2]"
1 40 GLY 0.066 0.022 2 0 "[ . 1 . 2]"
1 41 LEU 1.731 0.135 16 0 "[ . 1 . 2]"
1 42 LYS 0.428 0.056 16 0 "[ . 1 . 2]"
1 43 VAL 0.684 0.058 4 0 "[ . 1 . 2]"
1 44 VAL 0.467 0.055 19 0 "[ . 1 . 2]"
1 45 GLY 0.182 0.031 10 0 "[ . 1 . 2]"
1 46 GLY 0.002 0.002 4 0 "[ . 1 . 2]"
1 47 LYS 0.062 0.038 5 0 "[ . 1 . 2]"
1 48 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 THR 0.023 0.007 10 0 "[ . 1 . 2]"
1 50 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 LEU 0.115 0.028 18 0 "[ . 1 . 2]"
1 52 GLY 0.096 0.028 18 0 "[ . 1 . 2]"
1 53 ARG 0.020 0.008 15 0 "[ . 1 . 2]"
1 54 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLY 0.023 0.007 10 0 "[ . 1 . 2]"
1 56 ALA 0.056 0.030 12 0 "[ . 1 . 2]"
1 57 PHE 0.030 0.012 13 0 "[ . 1 . 2]"
1 58 ILE 0.462 0.055 19 0 "[ . 1 . 2]"
1 59 THR 0.171 0.019 20 0 "[ . 1 . 2]"
1 60 LYS 0.195 0.024 8 0 "[ . 1 . 2]"
1 61 VAL 1.642 0.135 16 0 "[ . 1 . 2]"
1 62 LYS 0.251 0.025 1 0 "[ . 1 . 2]"
1 63 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 SER 0.069 0.017 9 0 "[ . 1 . 2]"
1 66 LEU 1.268 0.088 18 0 "[ . 1 . 2]"
1 67 ALA 0.938 0.049 18 0 "[ . 1 . 2]"
1 68 ASP 0.911 0.052 17 0 "[ . 1 . 2]"
1 69 VAL 0.923 0.052 17 0 "[ . 1 . 2]"
1 70 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLY 0.512 0.084 12 0 "[ . 1 . 2]"
1 72 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ALA 0.116 0.016 4 0 "[ . 1 . 2]"
1 76 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ASP 0.438 0.021 4 0 "[ . 1 . 2]"
1 78 GLU 0.100 0.010 2 0 "[ . 1 . 2]"
1 79 VAL 0.030 0.012 13 0 "[ . 1 . 2]"
1 80 LEU 0.244 0.026 15 0 "[ . 1 . 2]"
1 81 GLU 0.242 0.027 2 0 "[ . 1 . 2]"
1 82 TRP 1.630 0.062 19 0 "[ . 1 . 2]"
1 83 ASN 0.323 0.028 4 0 "[ . 1 . 2]"
1 84 GLY 0.323 0.028 4 0 "[ . 1 . 2]"
1 85 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 LEU 0.240 0.080 11 0 "[ . 1 . 2]"
1 88 PRO 0.080 0.080 11 0 "[ . 1 . 2]"
1 89 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 ALA 1.522 0.132 16 0 "[ . 1 . 2]"
1 91 THR 0.005 0.005 19 0 "[ . 1 . 2]"
1 92 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 GLU 1.367 0.089 19 0 "[ . 1 . 2]"
1 94 GLU 2.181 0.132 16 0 "[ . 1 . 2]"
1 95 VAL 1.381 0.121 10 0 "[ . 1 . 2]"
1 96 TYR 3.176 0.186 20 0 "[ . 1 . 2]"
1 97 ASN 0.856 0.046 15 0 "[ . 1 . 2]"
1 98 ILE 0.024 0.024 10 0 "[ . 1 . 2]"
1 99 ILE 1.455 0.185 9 0 "[ . 1 . 2]"
1 100 LEU 1.404 0.068 1 0 "[ . 1 . 2]"
1 101 GLU 1.403 0.043 11 0 "[ . 1 . 2]"
1 102 SER 0.032 0.017 8 0 "[ . 1 . 2]"
1 103 LYS 0.008 0.008 18 0 "[ . 1 . 2]"
1 104 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 GLU 0.301 0.030 6 0 "[ . 1 . 2]"
1 106 PRO 0.004 0.002 10 0 "[ . 1 . 2]"
1 107 GLN 0.632 0.037 19 0 "[ . 1 . 2]"
1 108 VAL 0.005 0.005 16 0 "[ . 1 . 2]"
1 109 GLU 0.011 0.007 6 0 "[ . 1 . 2]"
1 110 ILE 1.371 0.089 6 0 "[ . 1 . 2]"
1 111 ILE 0.778 0.042 17 0 "[ . 1 . 2]"
1 112 VAL 0.265 0.017 13 0 "[ . 1 . 2]"
1 113 SER 0.316 0.026 15 0 "[ . 1 . 2]"
1 114 ARG 0.049 0.010 2 0 "[ . 1 . 2]"
2 6 GLU 2.508 0.495 6 0 "[ . 1 . 2]"
2 7 GLU 0.043 0.043 17 0 "[ . 1 . 2]"
2 8 GLY 0.182 0.031 10 0 "[ . 1 . 2]"
2 9 ILE 3.037 0.186 20 0 "[ . 1 . 2]"
2 10 TRP 0.275 0.025 1 0 "[ . 1 . 2]"
2 11 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 HIS HA 1 7 PRO QD 5.500 . 5.500 2.554 1.915 3.539 . 0 0 "[ . 1 . 2]" 1
2 1 6 HIS QB 1 7 PRO QD 4.500 . 4.500 2.476 1.825 3.464 . 0 0 "[ . 1 . 2]" 1
3 1 6 HIS QB 1 7 PRO QG 6.000 . 6.000 3.988 2.988 4.770 . 0 0 "[ . 1 . 2]" 1
4 1 7 PRO HA 1 8 VAL H 5.000 . 5.000 2.393 2.154 2.434 . 0 0 "[ . 1 . 2]" 1
5 1 7 PRO QB 1 8 VAL H 4.000 . 4.000 2.569 2.450 3.340 . 0 0 "[ . 1 . 2]" 1
6 1 7 PRO QD 1 8 VAL H 5.500 . 5.500 4.909 4.794 4.927 . 0 0 "[ . 1 . 2]" 1
7 1 8 VAL H 1 8 VAL MG2 4.000 . 4.000 3.064 2.908 3.244 . 0 0 "[ . 1 . 2]" 1
8 1 8 VAL MG1 1 9 THR H 5.500 . 5.500 2.022 1.966 2.242 . 0 0 "[ . 1 . 2]" 1
9 1 8 VAL H 1 9 THR H 5.000 . 5.000 4.531 4.473 4.575 . 0 0 "[ . 1 . 2]" 1
10 1 8 VAL MG1 1 10 TRP HD1 4.000 . 4.000 3.053 2.607 3.332 . 0 0 "[ . 1 . 2]" 1
11 1 8 VAL HB 1 71 GLY QA 5.500 . 5.500 4.549 4.140 4.908 . 0 0 "[ . 1 . 2]" 1
12 1 7 PRO QB 1 9 THR MG 6.000 . 6.000 4.047 3.572 4.450 . 0 0 "[ . 1 . 2]" 1
13 1 7 PRO QG 1 9 THR MG 6.000 . 6.000 4.030 3.574 4.456 . 0 0 "[ . 1 . 2]" 1
14 1 8 VAL HA 1 9 THR H 3.500 . 3.500 2.270 2.227 2.287 . 0 0 "[ . 1 . 2]" 1
15 1 8 VAL HB 1 9 THR H 5.000 . 5.000 4.054 4.021 4.177 . 0 0 "[ . 1 . 2]" 1
16 1 8 VAL MG2 1 9 THR H 4.000 . 4.000 3.360 3.354 3.368 . 0 0 "[ . 1 . 2]" 1
17 1 9 THR H 1 9 THR MG 4.000 . 4.000 3.339 3.292 3.353 . 0 0 "[ . 1 . 2]" 1
18 1 9 THR H 1 10 TRP H 5.000 . 5.000 4.457 4.422 4.509 . 0 0 "[ . 1 . 2]" 1
19 1 8 VAL HB 1 10 TRP HE1 5.500 . 5.500 3.719 3.320 4.309 . 0 0 "[ . 1 . 2]" 1
20 1 8 VAL MG1 1 10 TRP HE1 4.000 . 4.000 2.151 1.904 2.586 . 0 0 "[ . 1 . 2]" 1
21 1 8 VAL MG1 1 10 TRP H 5.500 . 5.500 4.315 4.235 4.402 . 0 0 "[ . 1 . 2]" 1
22 1 9 THR HA 1 10 TRP H 2.800 . 2.800 2.296 2.259 2.349 . 0 0 "[ . 1 . 2]" 1
23 1 9 THR HB 1 10 TRP H 3.500 . 3.500 2.753 2.616 2.894 . 0 0 "[ . 1 . 2]" 1
24 1 9 THR MG 1 10 TRP H 4.000 . 4.000 3.323 3.185 3.348 . 0 0 "[ . 1 . 2]" 1
25 1 10 TRP HA 1 10 TRP HD1 5.000 . 5.000 3.991 3.715 4.308 . 0 0 "[ . 1 . 2]" 1
26 1 10 TRP HA 1 10 TRP HE3 5.000 . 5.000 3.573 3.064 3.896 . 0 0 "[ . 1 . 2]" 1
27 1 10 TRP H 1 10 TRP HD1 3.500 . 3.500 2.759 2.500 3.120 . 0 0 "[ . 1 . 2]" 1
28 1 10 TRP H 1 10 TRP HE1 6.000 . 6.000 5.118 4.907 5.271 . 0 0 "[ . 1 . 2]" 1
29 1 10 TRP H 1 11 GLN H 5.000 . 5.000 4.291 4.219 4.382 . 0 0 "[ . 1 . 2]" 1
30 1 10 TRP QB 1 19 LEU MD1 6.000 . 6.000 1.834 1.726 1.968 0.074 5 0 "[ . 1 . 2]" 1
31 1 10 TRP HE3 1 19 LEU QB 5.500 . 5.500 2.944 2.359 3.706 . 0 0 "[ . 1 . 2]" 1
32 1 10 TRP HA 1 21 GLY QA 4.000 . 4.000 2.138 1.881 2.731 . 0 0 "[ . 1 . 2]" 1
33 1 10 TRP HE1 1 72 HIS QB 5.500 . 5.500 4.278 3.507 4.687 . 0 0 "[ . 1 . 2]" 1
34 1 10 TRP HA 1 11 GLN H 2.800 . 2.800 2.160 2.139 2.214 . 0 0 "[ . 1 . 2]" 1
35 1 10 TRP QB 1 11 GLN H 4.000 . 4.000 3.172 2.894 3.355 . 0 0 "[ . 1 . 2]" 1
36 1 10 TRP HE3 1 11 GLN H 5.000 . 5.000 4.475 3.951 4.913 . 0 0 "[ . 1 . 2]" 1
37 1 11 GLN H 1 11 GLN QG 4.000 . 4.000 2.054 1.947 2.247 . 0 0 "[ . 1 . 2]" 1
38 1 11 GLN HA 1 12 PRO QD 5.500 . 5.500 2.074 1.847 2.175 . 0 0 "[ . 1 . 2]" 1
39 1 11 GLN QB 1 12 PRO QD 4.500 . 4.500 2.120 1.906 3.033 . 0 0 "[ . 1 . 2]" 1
40 1 11 GLN QG 1 12 PRO QD 6.000 . 6.000 3.785 3.371 4.284 . 0 0 "[ . 1 . 2]" 1
41 1 11 GLN H 1 21 GLY QA 5.500 . 5.500 3.176 2.678 3.944 . 0 0 "[ . 1 . 2]" 1
42 1 12 PRO QG 1 19 LEU MD2 6.000 . 6.000 3.969 2.062 4.458 . 0 0 "[ . 1 . 2]" 1
43 1 12 PRO HA 1 13 SER H 2.800 . 2.800 2.159 2.134 2.271 . 0 0 "[ . 1 . 2]" 1
44 1 12 PRO QB 1 13 SER H 5.500 . 5.500 3.223 2.842 3.457 . 0 0 "[ . 1 . 2]" 1
45 1 12 PRO QD 1 13 SER H 5.500 . 5.500 4.935 4.907 4.967 . 0 0 "[ . 1 . 2]" 1
46 1 12 PRO QG 1 13 SER H 5.500 . 5.500 4.676 4.505 4.808 . 0 0 "[ . 1 . 2]" 1
47 1 13 SER QB 1 18 ARG QB 6.000 . 6.000 2.167 1.679 3.757 0.121 20 0 "[ . 1 . 2]" 1
48 1 13 SER QB 1 18 ARG QG 6.000 . 6.000 3.598 1.812 4.259 . 0 0 "[ . 1 . 2]" 1
49 1 13 SER H 1 18 ARG H 3.500 . 3.500 3.244 2.344 3.517 0.017 20 0 "[ . 1 . 2]" 1
50 1 13 SER H 1 19 LEU HA 3.500 . 3.500 3.033 2.697 3.517 0.017 8 0 "[ . 1 . 2]" 1
51 1 13 SER H 1 19 LEU MD2 4.000 . 4.000 3.263 3.024 3.339 . 0 0 "[ . 1 . 2]" 1
52 1 13 SER QB 1 20 ILE QG 6.000 . 6.000 2.298 1.913 3.550 . 0 0 "[ . 1 . 2]" 1
53 1 13 SER QB 1 20 ILE H 5.500 . 5.500 3.656 3.069 4.687 . 0 0 "[ . 1 . 2]" 1
54 1 13 SER H 1 20 ILE MD 5.500 . 5.500 4.510 4.152 4.586 . 0 0 "[ . 1 . 2]" 1
55 1 13 SER H 1 20 ILE QG 5.500 . 5.500 3.641 3.250 4.449 . 0 0 "[ . 1 . 2]" 1
56 1 13 SER HA 1 14 LYS H 3.500 . 3.500 2.509 2.219 2.642 . 0 0 "[ . 1 . 2]" 1
57 1 13 SER QB 1 14 LYS H 5.500 . 5.500 2.836 2.059 3.499 . 0 0 "[ . 1 . 2]" 1
58 1 13 SER H 1 14 LYS H 5.000 . 5.000 4.553 4.471 4.623 . 0 0 "[ . 1 . 2]" 1
59 1 13 SER HA 1 15 GLU H 5.000 . 5.000 4.186 3.757 4.879 . 0 0 "[ . 1 . 2]" 1
60 1 13 SER QB 1 15 GLU H 5.500 . 5.500 2.725 2.111 3.438 . 0 0 "[ . 1 . 2]" 1
61 1 14 LYS HA 1 15 GLU H 3.500 . 3.500 3.397 3.345 3.550 0.050 10 0 "[ . 1 . 2]" 1
62 1 14 LYS QB 1 15 GLU H 4.000 . 4.000 3.223 2.270 3.605 . 0 0 "[ . 1 . 2]" 1
63 1 14 LYS QG 1 15 GLU H 5.500 . 5.500 4.042 1.902 4.728 . 0 0 "[ . 1 . 2]" 1
64 1 14 LYS H 1 15 GLU H 5.000 . 5.000 2.552 2.467 2.813 . 0 0 "[ . 1 . 2]" 1
65 1 15 GLU H 1 15 GLU QG 4.000 . 4.000 2.795 1.958 3.566 . 0 0 "[ . 1 . 2]" 1
66 1 15 GLU H 1 16 GLY H 3.500 . 3.500 2.436 1.993 3.042 . 0 0 "[ . 1 . 2]" 1
67 1 13 SER H 1 16 GLY H 6.000 . 6.000 4.309 3.382 5.893 . 0 0 "[ . 1 . 2]" 1
68 1 15 GLU HA 1 16 GLY H 3.500 . 3.500 3.385 3.109 3.490 . 0 0 "[ . 1 . 2]" 1
69 1 15 GLU QB 1 16 GLY H 5.500 . 5.500 3.212 2.868 3.708 . 0 0 "[ . 1 . 2]" 1
70 1 15 GLU QG 1 16 GLY H 5.500 . 5.500 4.276 2.464 4.788 . 0 0 "[ . 1 . 2]" 1
71 1 16 GLY H 1 17 ASP H 5.000 . 5.000 2.552 1.807 3.191 . 0 0 "[ . 1 . 2]" 1
72 1 15 GLU HA 1 17 ASP H 5.000 . 5.000 4.552 4.268 5.008 0.008 12 0 "[ . 1 . 2]" 1
73 1 15 GLU H 1 17 ASP H 5.000 . 5.000 4.018 3.483 4.616 . 0 0 "[ . 1 . 2]" 1
74 1 16 GLY QA 1 17 ASP H 4.000 . 4.000 2.833 2.688 2.934 . 0 0 "[ . 1 . 2]" 1
75 1 17 ASP H 1 18 ARG H 3.500 . 3.500 2.299 1.801 3.219 . 0 0 "[ . 1 . 2]" 1
76 1 12 PRO HA 1 18 ARG H 5.000 . 5.000 4.760 3.962 5.012 0.012 10 0 "[ . 1 . 2]" 1
77 1 13 SER QB 1 18 ARG H 5.500 . 5.500 2.780 2.218 3.809 . 0 0 "[ . 1 . 2]" 1
78 1 15 GLU H 1 18 ARG H 5.000 . 5.000 4.384 3.976 5.038 0.038 20 0 "[ . 1 . 2]" 1
79 1 16 GLY QA 1 18 ARG H 5.500 . 5.500 3.944 3.401 4.883 . 0 0 "[ . 1 . 2]" 1
80 1 16 GLY H 1 18 ARG H 5.000 . 5.000 3.493 3.014 4.337 . 0 0 "[ . 1 . 2]" 1
81 1 17 ASP HA 1 18 ARG H 3.500 . 3.500 3.085 2.372 3.469 . 0 0 "[ . 1 . 2]" 1
82 1 17 ASP QB 1 18 ARG H 5.500 . 5.500 3.570 2.987 4.017 . 0 0 "[ . 1 . 2]" 1
83 1 18 ARG H 1 18 ARG QD 5.500 . 5.500 4.243 3.010 4.888 . 0 0 "[ . 1 . 2]" 1
84 1 18 ARG H 1 19 LEU H 5.000 . 5.000 4.449 4.108 4.517 . 0 0 "[ . 1 . 2]" 1
85 1 10 TRP QB 1 19 LEU MD2 6.000 . 6.000 4.143 3.940 4.321 . 0 0 "[ . 1 . 2]" 1
86 1 10 TRP HE3 1 19 LEU MD2 6.500 . 6.500 5.317 5.015 5.419 . 0 0 "[ . 1 . 2]" 1
87 1 18 ARG HA 1 19 LEU H 3.500 . 3.500 2.362 2.138 2.460 . 0 0 "[ . 1 . 2]" 1
88 1 18 ARG QB 1 19 LEU H 4.000 . 4.000 2.746 2.341 3.446 . 0 0 "[ . 1 . 2]" 1
89 1 18 ARG QD 1 19 LEU H 5.500 . 5.500 4.175 2.353 4.904 . 0 0 "[ . 1 . 2]" 1
90 1 19 LEU H 1 19 LEU MD1 5.500 . 5.500 4.342 4.271 4.397 . 0 0 "[ . 1 . 2]" 1
91 1 19 LEU H 1 19 LEU MD2 5.500 . 5.500 3.384 2.894 3.653 . 0 0 "[ . 1 . 2]" 1
92 1 19 LEU H 1 113 SER HA 5.000 . 5.000 4.752 4.074 5.013 0.013 16 0 "[ . 1 . 2]" 1
93 1 19 LEU H 1 114 ARG QB 5.500 . 5.500 3.538 2.822 4.403 . 0 0 "[ . 1 . 2]" 1
94 1 10 TRP HE3 1 20 ILE MG 5.500 . 5.500 4.576 4.464 4.602 . 0 0 "[ . 1 . 2]" 1
95 1 10 TRP HA 1 20 ILE H 5.000 . 5.000 4.657 4.171 5.002 0.002 12 0 "[ . 1 . 2]" 1
96 1 10 TRP HE3 1 20 ILE H 5.000 . 5.000 4.097 3.721 4.458 . 0 0 "[ . 1 . 2]" 1
97 1 11 GLN QG 1 20 ILE MG 6.000 . 6.000 4.030 3.817 4.459 . 0 0 "[ . 1 . 2]" 1
98 1 13 SER QB 1 20 ILE MD 5.500 . 5.500 2.720 1.880 3.611 . 0 0 "[ . 1 . 2]" 1
99 1 13 SER H 1 20 ILE H 5.000 . 5.000 3.746 3.266 4.480 . 0 0 "[ . 1 . 2]" 1
100 1 18 ARG H 1 20 ILE MD 6.500 . 6.500 5.182 4.718 5.417 . 0 0 "[ . 1 . 2]" 1
101 1 19 LEU HA 1 20 ILE HB 5.000 . 5.000 4.811 4.741 5.001 0.001 20 0 "[ . 1 . 2]" 1
102 1 19 LEU HA 1 20 ILE H 2.800 . 2.800 2.142 2.132 2.167 . 0 0 "[ . 1 . 2]" 1
103 1 19 LEU QB 1 20 ILE H 5.500 . 5.500 3.591 3.340 3.699 . 0 0 "[ . 1 . 2]" 1
104 1 19 LEU MD1 1 20 ILE H 4.000 . 4.000 2.665 2.239 3.108 . 0 0 "[ . 1 . 2]" 1
105 1 20 ILE HA 1 20 ILE MD 4.000 . 4.000 2.040 1.958 2.256 . 0 0 "[ . 1 . 2]" 1
106 1 20 ILE H 1 20 ILE MD 5.500 . 5.500 3.230 2.863 3.409 . 0 0 "[ . 1 . 2]" 1
107 1 20 ILE H 1 20 ILE QG 4.000 . 4.000 2.383 2.244 2.535 . 0 0 "[ . 1 . 2]" 1
108 1 20 ILE MG 1 21 GLY QA 5.500 . 5.500 3.508 3.309 3.879 . 0 0 "[ . 1 . 2]" 1
109 1 20 ILE HA 1 113 SER HA 5.000 . 5.000 2.915 2.543 3.185 . 0 0 "[ . 1 . 2]" 1
110 1 20 ILE MD 1 113 SER HA 4.000 . 4.000 2.189 1.932 2.415 . 0 0 "[ . 1 . 2]" 1
111 1 20 ILE MD 1 113 SER QB 4.000 . 4.000 2.313 1.878 2.971 . 0 0 "[ . 1 . 2]" 1
112 1 20 ILE MG 1 113 SER HA 5.500 . 5.500 3.583 3.324 3.849 . 0 0 "[ . 1 . 2]" 1
113 1 20 ILE MG 1 113 SER QB 6.000 . 6.000 3.642 3.084 4.422 . 0 0 "[ . 1 . 2]" 1
114 1 10 TRP HA 1 21 GLY H 5.000 . 5.000 4.309 3.770 4.650 . 0 0 "[ . 1 . 2]" 1
115 1 20 ILE HA 1 21 GLY H 2.800 . 2.800 2.212 2.152 2.250 . 0 0 "[ . 1 . 2]" 1
116 1 20 ILE QG 1 21 GLY H 5.500 . 5.500 4.642 4.543 4.888 . 0 0 "[ . 1 . 2]" 1
117 1 20 ILE MG 1 21 GLY H 4.000 . 4.000 2.159 1.965 2.964 . 0 0 "[ . 1 . 2]" 1
118 1 21 GLY H 1 22 ARG H 5.000 . 5.000 4.464 4.447 4.574 . 0 0 "[ . 1 . 2]" 1
119 1 9 THR HB 1 22 ARG H 5.000 . 5.000 5.003 4.920 5.017 0.017 8 0 "[ . 1 . 2]" 1
120 1 10 TRP HA 1 22 ARG H 5.000 . 5.000 3.988 3.608 4.747 . 0 0 "[ . 1 . 2]" 1
121 1 21 GLY QA 1 22 ARG H 3.300 . 3.300 2.237 2.229 2.250 . 0 0 "[ . 1 . 2]" 1
122 1 22 ARG H 1 23 VAL H 5.000 . 5.000 4.349 4.331 4.378 . 0 0 "[ . 1 . 2]" 1
123 1 22 ARG HA 1 23 VAL H 2.800 . 2.800 2.170 2.162 2.176 . 0 0 "[ . 1 . 2]" 1
124 1 22 ARG QB 1 23 VAL H 5.500 . 5.500 3.445 3.196 3.860 . 0 0 "[ . 1 . 2]" 1
125 1 22 ARG QG 1 23 VAL H 5.500 . 5.500 3.927 2.674 4.608 . 0 0 "[ . 1 . 2]" 1
126 1 23 VAL H 1 23 VAL MG2 4.000 . 4.000 2.616 2.512 2.733 . 0 0 "[ . 1 . 2]" 1
127 1 23 VAL MG1 1 24 ILE H 5.500 . 5.500 2.520 2.358 2.639 . 0 0 "[ . 1 . 2]" 1
128 1 23 VAL H 1 24 ILE H 5.000 . 5.000 4.371 4.332 4.408 . 0 0 "[ . 1 . 2]" 1
129 1 23 VAL MG2 1 71 GLY QA 4.500 . 4.500 3.153 2.810 3.346 . 0 0 "[ . 1 . 2]" 1
130 1 23 VAL MG1 1 110 ILE MD 4.500 . 4.500 2.851 2.532 3.111 . 0 0 "[ . 1 . 2]" 1
131 1 23 VAL H 1 110 ILE H 3.500 . 3.500 3.568 3.552 3.589 0.089 6 0 "[ . 1 . 2]" 1
132 1 23 VAL H 1 111 ILE HA 3.500 . 3.500 2.894 2.809 3.005 . 0 0 "[ . 1 . 2]" 1
133 1 23 VAL H 1 111 ILE MD 4.000 . 4.000 2.112 2.079 2.142 . 0 0 "[ . 1 . 2]" 1
134 1 23 VAL H 1 111 ILE QG 5.500 . 5.500 4.304 4.276 4.326 . 0 0 "[ . 1 . 2]" 1
135 1 23 VAL H 1 112 VAL H 5.000 . 5.000 4.673 4.560 4.831 . 0 0 "[ . 1 . 2]" 1
136 1 8 VAL MG2 1 24 ILE H 4.000 . 4.000 2.836 2.275 3.332 . 0 0 "[ . 1 . 2]" 1
137 1 22 ARG QD 1 24 ILE MD 6.000 . 6.000 3.567 1.940 4.460 . 0 0 "[ . 1 . 2]" 1
138 1 22 ARG QG 1 24 ILE MD 6.000 . 6.000 3.507 1.955 4.461 . 0 0 "[ . 1 . 2]" 1
139 1 23 VAL HA 1 24 ILE H 2.800 . 2.800 2.134 2.121 2.148 . 0 0 "[ . 1 . 2]" 1
140 1 23 VAL HB 1 24 ILE H 5.000 . 5.000 4.150 4.061 4.267 . 0 0 "[ . 1 . 2]" 1
141 1 24 ILE HA 1 24 ILE MD 4.000 . 4.000 2.372 2.068 3.334 . 0 0 "[ . 1 . 2]" 1
142 1 24 ILE H 1 24 ILE MD 5.500 . 5.500 2.945 1.956 3.358 . 0 0 "[ . 1 . 2]" 1
143 1 24 ILE H 1 24 ILE QG 4.000 . 4.000 2.399 2.033 3.288 . 0 0 "[ . 1 . 2]" 1
144 1 24 ILE H 1 25 LEU H 5.000 . 5.000 4.331 4.285 4.384 . 0 0 "[ . 1 . 2]" 1
145 1 24 ILE MG 1 107 GLN HA 6.500 . 6.500 4.486 4.042 4.976 . 0 0 "[ . 1 . 2]" 1
146 1 24 ILE MG 1 107 GLN QG 4.500 . 4.500 2.302 1.985 2.621 . 0 0 "[ . 1 . 2]" 1
147 1 24 ILE MD 1 109 GLU HA 5.500 . 5.500 2.706 2.049 4.197 . 0 0 "[ . 1 . 2]" 1
148 1 24 ILE MG 1 109 GLU HA 5.500 . 5.500 2.967 2.894 3.184 . 0 0 "[ . 1 . 2]" 1
149 1 24 ILE H 1 109 GLU HA 5.000 . 5.000 4.751 4.653 4.897 . 0 0 "[ . 1 . 2]" 1
150 1 24 ILE MD 1 110 ILE H 5.500 . 5.500 3.661 3.237 4.589 . 0 0 "[ . 1 . 2]" 1
151 1 24 ILE HA 1 25 LEU H 2.800 . 2.800 2.157 2.149 2.167 . 0 0 "[ . 1 . 2]" 1
152 1 24 ILE QG 1 25 LEU H 5.500 . 5.500 4.760 4.249 4.897 . 0 0 "[ . 1 . 2]" 1
153 1 24 ILE MG 1 25 LEU H 4.000 . 4.000 2.835 2.529 2.992 . 0 0 "[ . 1 . 2]" 1
154 1 25 LEU H 1 25 LEU MD1 5.500 . 5.500 4.265 4.156 4.423 . 0 0 "[ . 1 . 2]" 1
155 1 25 LEU H 1 25 LEU MD2 5.500 . 5.500 4.256 4.131 4.445 . 0 0 "[ . 1 . 2]" 1
156 1 25 LEU H 1 26 ASN H 5.000 . 5.000 4.469 4.367 4.504 . 0 0 "[ . 1 . 2]" 1
157 1 25 LEU MD1 1 66 LEU QB 6.000 . 6.000 3.573 2.957 3.965 . 0 0 "[ . 1 . 2]" 1
158 1 25 LEU MD1 1 67 ALA HA 4.000 . 4.000 2.012 1.854 2.162 . 0 0 "[ . 1 . 2]" 1
159 1 25 LEU MD2 1 67 ALA HA 4.000 . 4.000 2.022 1.902 2.446 . 0 0 "[ . 1 . 2]" 1
160 1 25 LEU MD2 1 70 VAL HB 5.000 . 5.000 4.128 3.782 4.176 . 0 0 "[ . 1 . 2]" 1
161 1 25 LEU MD2 1 71 GLY QA 6.000 . 6.000 3.431 3.108 3.907 . 0 0 "[ . 1 . 2]" 1
162 1 25 LEU H 1 108 VAL HA 5.000 . 5.000 4.608 4.454 4.738 . 0 0 "[ . 1 . 2]" 1
163 1 25 LEU H 1 108 VAL HB 3.500 . 3.500 3.156 2.972 3.505 0.005 16 0 "[ . 1 . 2]" 1
164 1 25 LEU H 1 108 VAL H 3.500 . 3.500 3.140 2.935 3.339 . 0 0 "[ . 1 . 2]" 1
165 1 25 LEU H 1 109 GLU HA 3.500 . 3.500 3.315 3.127 3.465 . 0 0 "[ . 1 . 2]" 1
166 1 25 LEU MD1 1 110 ILE MD 4.500 . 4.500 1.969 1.854 2.204 . 0 0 "[ . 1 . 2]" 1
167 1 25 LEU MD2 1 110 ILE MD 6.000 . 6.000 4.190 4.177 4.202 . 0 0 "[ . 1 . 2]" 1
168 1 25 LEU H 1 110 ILE H 5.000 . 5.000 3.941 3.827 4.027 . 0 0 "[ . 1 . 2]" 1
169 1 25 LEU MD2 1 26 ASN QB 5.500 . 5.500 4.086 3.999 4.102 . 0 0 "[ . 1 . 2]" 1
170 1 25 LEU HA 1 26 ASN H 2.800 . 2.800 2.251 2.149 2.288 . 0 0 "[ . 1 . 2]" 1
171 1 25 LEU QB 1 26 ASN H 4.000 . 4.000 2.909 2.789 3.227 . 0 0 "[ . 1 . 2]" 1
172 1 25 LEU MD2 1 26 ASN H 4.000 . 4.000 2.143 1.969 2.278 . 0 0 "[ . 1 . 2]" 1
173 1 26 ASN H 1 66 LEU MD1 4.000 . 4.000 3.283 2.968 3.346 . 0 0 "[ . 1 . 2]" 1
174 1 26 ASN HA 1 27 LYS QG 5.500 . 5.500 3.514 3.168 3.790 . 0 0 "[ . 1 . 2]" 1
175 1 26 ASN HA 1 27 LYS H 2.800 . 2.800 2.174 2.138 2.245 . 0 0 "[ . 1 . 2]" 1
176 1 26 ASN QB 1 27 LYS H 5.500 . 5.500 3.335 2.853 3.869 . 0 0 "[ . 1 . 2]" 1
177 1 26 ASN H 1 27 LYS H 5.000 . 5.000 4.311 4.115 4.517 . 0 0 "[ . 1 . 2]" 1
178 1 27 LYS H 1 27 LYS QD 5.500 . 5.500 3.717 2.727 3.930 . 0 0 "[ . 1 . 2]" 1
179 1 27 LYS H 1 27 LYS QG 4.000 . 4.000 2.043 1.890 2.661 . 0 0 "[ . 1 . 2]" 1
180 1 27 LYS H 1 28 ARG H 5.000 . 5.000 2.521 2.032 3.667 . 0 0 "[ . 1 . 2]" 1
181 1 27 LYS QD 1 103 LYS H 5.500 . 5.500 4.723 4.140 4.918 . 0 0 "[ . 1 . 2]" 1
182 1 27 LYS H 1 106 PRO HA 5.000 . 5.000 4.201 3.225 5.002 0.002 10 0 "[ . 1 . 2]" 1
183 1 27 LYS H 1 107 GLN HA 3.500 . 3.500 3.513 3.505 3.537 0.037 19 0 "[ . 1 . 2]" 1
184 1 27 LYS H 1 108 VAL MG2 5.500 . 5.500 3.953 3.529 4.273 . 0 0 "[ . 1 . 2]" 1
185 1 26 ASN HA 1 28 ARG H 5.000 . 5.000 3.926 3.683 4.444 . 0 0 "[ . 1 . 2]" 1
186 1 27 LYS HA 1 28 ARG H 3.500 . 3.500 3.201 2.525 3.516 0.016 7 0 "[ . 1 . 2]" 1
187 1 27 LYS QG 1 28 ARG H 5.500 . 5.500 3.434 1.963 4.534 . 0 0 "[ . 1 . 2]" 1
188 1 28 ARG HA 1 28 ARG QD 4.000 . 4.000 3.211 1.968 3.633 . 0 0 "[ . 1 . 2]" 1
189 1 28 ARG H 1 28 ARG QG 4.000 . 4.000 2.946 1.984 3.588 . 0 0 "[ . 1 . 2]" 1
190 1 28 ARG H 1 29 THR MG 5.500 . 5.500 3.947 3.371 4.590 . 0 0 "[ . 1 . 2]" 1
191 1 28 ARG HA 1 29 THR H 5.000 . 5.000 3.467 3.159 3.569 . 0 0 "[ . 1 . 2]" 1
192 1 28 ARG QB 1 29 THR H 5.500 . 5.500 3.116 2.399 3.742 . 0 0 "[ . 1 . 2]" 1
193 1 28 ARG H 1 29 THR H 5.000 . 5.000 2.495 2.117 2.780 . 0 0 "[ . 1 . 2]" 1
194 1 30 THR MG 1 31 MET ME 6.000 . 6.000 3.896 2.157 4.184 . 0 0 "[ . 1 . 2]" 1
195 1 30 THR HA 1 31 MET H 3.500 . 3.500 2.513 2.221 3.354 . 0 0 "[ . 1 . 2]" 1
196 1 30 THR MG 1 31 MET H 5.500 . 5.500 2.765 1.915 4.400 . 0 0 "[ . 1 . 2]" 1
197 1 31 MET HA 1 31 MET ME 5.500 . 5.500 3.648 2.578 4.595 . 0 0 "[ . 1 . 2]" 1
198 1 31 MET H 1 31 MET ME 5.500 . 5.500 2.805 1.820 4.418 . 0 0 "[ . 1 . 2]" 1
199 1 31 MET ME 1 32 PRO QD 6.000 . 6.000 4.308 3.059 4.475 . 0 0 "[ . 1 . 2]" 1
200 1 31 MET ME 1 33 LYS QD 6.000 . 6.000 4.078 3.024 4.492 . 0 0 "[ . 1 . 2]" 1
201 1 31 MET ME 1 33 LYS QE 7.000 . 7.000 4.425 1.816 5.198 . 0 0 "[ . 1 . 2]" 1
202 1 31 MET ME 1 34 GLU QG 6.000 . 6.000 4.261 2.891 4.487 . 0 0 "[ . 1 . 2]" 1
203 1 31 MET ME 1 35 SER QB 6.000 . 6.000 4.147 2.919 4.468 . 0 0 "[ . 1 . 2]" 1
204 1 31 MET ME 1 39 LEU H 6.500 . 6.500 5.219 4.640 5.447 . 0 0 "[ . 1 . 2]" 1
205 1 32 PRO HA 1 33 LYS H 5.000 . 5.000 3.487 3.340 3.575 . 0 0 "[ . 1 . 2]" 1
206 1 33 LYS H 1 33 LYS QG 4.000 . 4.000 2.267 1.642 3.527 0.158 20 0 "[ . 1 . 2]" 1
207 1 33 LYS QE 1 34 GLU QG 6.000 . 6.000 3.832 2.070 4.776 . 0 0 "[ . 1 . 2]" 1
208 1 33 LYS QG 1 34 GLU QG 6.000 . 6.000 3.274 1.846 4.765 . 0 0 "[ . 1 . 2]" 1
209 1 33 LYS HA 1 34 GLU H 5.000 . 5.000 3.515 3.244 3.579 . 0 0 "[ . 1 . 2]" 1
210 1 34 GLU H 1 34 GLU QG 4.000 . 4.000 2.661 2.134 3.260 . 0 0 "[ . 1 . 2]" 1
211 1 34 GLU HA 1 35 SER H 5.000 . 5.000 3.024 2.117 3.575 . 0 0 "[ . 1 . 2]" 1
212 1 35 SER HA 1 36 GLY H 5.000 . 5.000 3.059 2.159 3.573 . 0 0 "[ . 1 . 2]" 1
213 1 36 GLY QA 1 37 ALA H 4.000 . 4.000 2.339 2.110 2.816 . 0 0 "[ . 1 . 2]" 1
214 1 37 ALA MB 2 10 TRP QB 5.500 . 5.500 4.009 3.566 4.097 . 0 0 "[ . 1 . 2]" 1
215 1 37 ALA MB 2 10 TRP HE3 5.500 . 5.500 4.342 3.796 4.603 . 0 0 "[ . 1 . 2]" 1
216 1 27 LYS QE 1 38 LEU MD1 6.000 . 6.000 3.692 3.316 4.267 . 0 0 "[ . 1 . 2]" 1
217 1 37 ALA H 1 38 LEU MD2 5.500 . 5.500 3.863 3.093 4.590 . 0 0 "[ . 1 . 2]" 1
218 1 37 ALA HA 1 38 LEU H 3.500 . 3.500 3.533 3.448 3.562 0.062 1 0 "[ . 1 . 2]" 1
219 1 37 ALA MB 1 38 LEU H 5.500 . 5.500 2.087 1.842 2.689 . 0 0 "[ . 1 . 2]" 1
220 1 37 ALA H 1 38 LEU H 3.500 . 3.500 2.740 1.956 3.500 . 0 0 "[ . 1 . 2]" 1
221 1 38 LEU H 1 38 LEU MD1 5.500 . 5.500 2.918 2.498 3.278 . 0 0 "[ . 1 . 2]" 1
222 1 38 LEU MD2 1 39 LEU H 5.500 . 5.500 2.790 2.498 3.519 . 0 0 "[ . 1 . 2]" 1
223 1 38 LEU MD2 1 41 LEU H 5.500 . 5.500 3.927 3.601 4.114 . 0 0 "[ . 1 . 2]" 1
224 1 38 LEU MD2 1 42 LYS HA 5.500 . 5.500 4.505 4.147 4.605 . 0 0 "[ . 1 . 2]" 1
225 1 38 LEU MD1 2 10 TRP HA 5.500 . 5.500 4.640 4.591 4.659 . 0 0 "[ . 1 . 2]" 1
226 1 38 LEU MD1 2 10 TRP QB 6.000 . 6.000 2.297 2.209 2.430 . 0 0 "[ . 1 . 2]" 1
227 1 38 LEU MD2 2 10 TRP QB 6.000 . 6.000 2.427 2.060 2.698 . 0 0 "[ . 1 . 2]" 1
228 1 27 LYS QG 1 39 LEU HA 5.500 . 5.500 4.213 3.069 4.953 . 0 0 "[ . 1 . 2]" 1
229 1 27 LYS H 1 39 LEU HA 5.000 . 5.000 5.009 4.879 5.054 0.054 14 0 "[ . 1 . 2]" 1
230 1 27 LYS QE 1 39 LEU MD1 6.000 . 6.000 4.099 3.695 4.470 . 0 0 "[ . 1 . 2]" 1
231 1 27 LYS HA 1 39 LEU MD2 5.500 . 5.500 3.640 2.669 4.039 . 0 0 "[ . 1 . 2]" 1
232 1 27 LYS QB 1 39 LEU MD2 6.000 . 6.000 2.467 1.775 3.493 0.025 8 0 "[ . 1 . 2]" 1
233 1 27 LYS QE 1 39 LEU MD2 4.500 . 4.500 1.905 1.746 2.275 0.054 1 0 "[ . 1 . 2]" 1
234 1 27 LYS QG 1 39 LEU MD2 4.000 . 4.000 2.176 1.655 2.997 0.145 16 0 "[ . 1 . 2]" 1
235 1 27 LYS H 1 39 LEU MD2 5.500 . 5.500 4.019 3.611 4.431 . 0 0 "[ . 1 . 2]" 1
236 1 27 LYS QB 1 39 LEU H 5.500 . 5.500 4.192 3.446 4.909 . 0 0 "[ . 1 . 2]" 1
237 1 38 LEU HA 1 39 LEU MD2 5.500 . 5.500 3.346 3.075 3.955 . 0 0 "[ . 1 . 2]" 1
238 1 38 LEU HA 1 39 LEU H 3.500 . 3.500 3.491 3.071 3.552 0.052 19 0 "[ . 1 . 2]" 1
239 1 38 LEU QB 1 39 LEU H 4.000 . 4.000 1.678 1.592 1.787 0.208 18 0 "[ . 1 . 2]" 1
240 1 39 LEU H 1 39 LEU MD1 5.000 . 5.000 3.792 3.572 3.939 . 0 0 "[ . 1 . 2]" 1
241 1 39 LEU H 1 39 LEU MD2 5.000 . 5.000 2.409 1.893 2.817 . 0 0 "[ . 1 . 2]" 1
242 1 39 LEU MD2 1 40 GLY H 6.000 . 6.000 3.756 3.672 3.828 . 0 0 "[ . 1 . 2]" 1
243 1 39 LEU H 1 40 GLY H 3.500 . 3.500 2.200 1.998 3.076 . 0 0 "[ . 1 . 2]" 1
244 1 39 LEU MD1 1 41 LEU H 5.500 . 5.500 3.700 3.152 4.107 . 0 0 "[ . 1 . 2]" 1
245 1 39 LEU MD2 1 41 LEU H 5.500 . 5.500 4.605 4.505 4.631 . 0 0 "[ . 1 . 2]" 1
246 1 39 LEU MD1 1 82 TRP HH2 4.000 . 4.000 3.300 3.138 3.364 . 0 0 "[ . 1 . 2]" 1
247 1 39 LEU MD1 1 82 TRP HZ2 5.000 . 5.000 2.987 2.599 3.521 . 0 0 "[ . 1 . 2]" 1
248 1 39 LEU MD2 1 82 TRP HH2 5.500 . 5.500 4.568 4.447 4.607 . 0 0 "[ . 1 . 2]" 1
249 1 39 LEU MD1 1 108 VAL MG1 4.500 . 4.500 3.101 2.949 3.139 . 0 0 "[ . 1 . 2]" 1
250 1 39 LEU MD2 1 108 VAL HB 5.500 . 5.500 3.942 3.303 4.317 . 0 0 "[ . 1 . 2]" 1
251 1 39 LEU MD2 1 108 VAL MG1 6.000 . 6.000 3.855 3.091 4.166 . 0 0 "[ . 1 . 2]" 1
252 1 39 LEU MD1 1 110 ILE MD 4.500 . 4.500 2.727 2.554 2.851 . 0 0 "[ . 1 . 2]" 1
253 1 39 LEU MD1 2 11 ALA MB 4.000 . 4.000 2.111 1.901 2.384 . 0 0 "[ . 1 . 2]" 1
254 1 38 LEU QB 1 40 GLY H 4.000 . 4.000 3.391 2.941 3.583 . 0 0 "[ . 1 . 2]" 1
255 1 38 LEU MD2 1 40 GLY H 5.500 . 5.500 3.645 3.481 4.422 . 0 0 "[ . 1 . 2]" 1
256 1 39 LEU HA 1 40 GLY H 5.000 . 5.000 3.593 3.563 3.610 . 0 0 "[ . 1 . 2]" 1
257 1 39 LEU QB 1 40 GLY H 5.500 . 5.500 2.951 2.376 3.154 . 0 0 "[ . 1 . 2]" 1
258 1 40 GLY H 1 41 LEU H 3.500 . 3.500 1.811 1.778 1.868 0.022 2 0 "[ . 1 . 2]" 1
259 1 40 GLY H 1 67 ALA MB 5.500 . 5.500 3.010 2.504 3.298 . 0 0 "[ . 1 . 2]" 1
260 1 40 GLY H 2 11 ALA HA 5.000 . 5.000 4.372 4.110 4.665 . 0 0 "[ . 1 . 2]" 1
261 1 38 LEU QB 1 41 LEU H 5.500 . 5.500 4.188 3.887 4.369 . 0 0 "[ . 1 . 2]" 1
262 1 39 LEU QB 1 41 LEU H 5.500 . 5.500 4.118 3.718 4.282 . 0 0 "[ . 1 . 2]" 1
263 1 40 GLY H 1 41 LEU MD1 6.500 . 6.500 4.248 2.331 5.442 . 0 0 "[ . 1 . 2]" 1
264 1 40 GLY H 1 41 LEU MD2 5.500 . 5.500 3.942 3.208 4.606 . 0 0 "[ . 1 . 2]" 1
265 1 40 GLY QA 1 41 LEU H 4.000 . 4.000 2.943 2.829 2.992 . 0 0 "[ . 1 . 2]" 1
266 1 41 LEU H 1 41 LEU MD1 5.500 . 5.500 3.410 2.027 4.649 . 0 0 "[ . 1 . 2]" 1
267 1 41 LEU H 1 41 LEU MD2 4.000 . 4.000 2.864 1.997 3.358 . 0 0 "[ . 1 . 2]" 1
268 1 41 LEU MD2 1 42 LYS HA 5.500 . 5.500 3.311 3.009 3.770 . 0 0 "[ . 1 . 2]" 1
269 1 41 LEU H 1 42 LYS HA 5.000 . 5.000 4.670 4.613 4.746 . 0 0 "[ . 1 . 2]" 1
270 1 41 LEU MD2 1 43 VAL HB 5.500 . 5.500 3.500 3.245 3.963 . 0 0 "[ . 1 . 2]" 1
271 1 41 LEU MD1 1 58 ILE QG 5.500 . 5.500 2.872 1.843 4.099 . 0 0 "[ . 1 . 2]" 1
272 1 41 LEU MD2 1 58 ILE QG 4.500 . 4.500 2.796 2.014 3.372 . 0 0 "[ . 1 . 2]" 1
273 1 41 LEU HA 1 61 VAL HA 3.500 . 3.500 2.108 2.023 2.242 . 0 0 "[ . 1 . 2]" 1
274 1 41 LEU QB 1 61 VAL MG1 4.000 . 4.000 1.724 1.665 1.881 0.135 16 0 "[ . 1 . 2]" 1
275 1 41 LEU H 1 67 ALA MB 4.000 . 4.000 3.094 2.829 3.341 . 0 0 "[ . 1 . 2]" 1
276 1 41 LEU MD1 1 82 TRP HH2 5.000 . 5.000 3.740 3.234 4.179 . 0 0 "[ . 1 . 2]" 1
277 1 41 LEU MD1 1 82 TRP HZ3 5.500 . 5.500 4.033 3.265 4.589 . 0 0 "[ . 1 . 2]" 1
278 1 41 LEU MD2 1 82 TRP HH2 4.000 . 4.000 2.351 1.848 2.684 . 0 0 "[ . 1 . 2]" 1
279 1 41 LEU MD2 1 82 TRP HZ2 5.500 . 5.500 4.111 3.509 4.581 . 0 0 "[ . 1 . 2]" 1
280 1 41 LEU MD2 1 82 TRP HZ3 5.500 . 5.500 3.093 2.654 3.674 . 0 0 "[ . 1 . 2]" 1
281 1 41 LEU MD2 1 110 ILE MD 6.000 . 6.000 3.114 2.739 3.535 . 0 0 "[ . 1 . 2]" 1
282 1 41 LEU HA 2 10 TRP HZ3 5.000 . 5.000 3.885 3.628 4.171 . 0 0 "[ . 1 . 2]" 1
283 1 41 LEU H 2 10 TRP HE3 5.000 . 5.000 4.626 4.270 4.833 . 0 0 "[ . 1 . 2]" 1
284 1 41 LEU H 2 11 ALA MB 6.500 . 6.500 3.639 3.145 3.955 . 0 0 "[ . 1 . 2]" 1
285 1 41 LEU H 2 11 ALA H 5.000 . 5.000 4.150 4.018 4.265 . 0 0 "[ . 1 . 2]" 1
286 1 41 LEU HA 1 42 LYS H 2.800 . 2.800 2.290 2.229 2.329 . 0 0 "[ . 1 . 2]" 1
287 1 41 LEU QB 1 42 LYS H 4.000 . 4.000 2.866 2.593 3.237 . 0 0 "[ . 1 . 2]" 1
288 1 41 LEU MD2 1 42 LYS H 5.500 . 5.500 3.374 2.792 3.969 . 0 0 "[ . 1 . 2]" 1
289 1 42 LYS H 1 59 THR H 5.000 . 5.000 4.171 4.049 4.334 . 0 0 "[ . 1 . 2]" 1
290 1 42 LYS QB 1 60 LYS QG 6.000 . 6.000 1.965 1.847 2.168 . 0 0 "[ . 1 . 2]" 1
291 1 42 LYS H 1 60 LYS QB 5.500 . 5.500 4.571 4.347 4.846 . 0 0 "[ . 1 . 2]" 1
292 1 42 LYS H 1 60 LYS QG 5.500 . 5.500 3.026 2.618 3.456 . 0 0 "[ . 1 . 2]" 1
293 1 42 LYS H 1 60 LYS H 3.500 . 3.500 2.832 2.713 3.041 . 0 0 "[ . 1 . 2]" 1
294 1 42 LYS H 1 61 VAL HA 5.000 . 5.000 3.369 3.198 3.573 . 0 0 "[ . 1 . 2]" 1
295 1 42 LYS H 2 10 TRP HE3 6.000 . 6.000 4.918 4.566 5.235 . 0 0 "[ . 1 . 2]" 1
296 1 42 LYS H 2 10 TRP HH2 6.000 . 6.000 5.390 5.038 5.815 . 0 0 "[ . 1 . 2]" 1
297 1 42 LYS H 2 10 TRP HZ3 5.000 . 5.000 3.833 3.398 4.246 . 0 0 "[ . 1 . 2]" 1
298 1 42 LYS HA 1 43 VAL H 2.800 . 2.800 2.185 2.163 2.212 . 0 0 "[ . 1 . 2]" 1
299 1 42 LYS QB 1 43 VAL H 5.500 . 5.500 3.622 3.394 3.749 . 0 0 "[ . 1 . 2]" 1
300 1 42 LYS QG 1 43 VAL H 5.500 . 5.500 2.866 2.452 3.410 . 0 0 "[ . 1 . 2]" 1
301 1 43 VAL H 1 43 VAL MG2 4.000 . 4.000 3.219 3.137 3.324 . 0 0 "[ . 1 . 2]" 1
302 1 43 VAL H 1 44 VAL H 5.000 . 5.000 4.480 4.448 4.507 . 0 0 "[ . 1 . 2]" 1
303 1 43 VAL MG1 1 56 ALA HA 5.500 . 5.500 3.274 3.072 3.426 . 0 0 "[ . 1 . 2]" 1
304 1 43 VAL MG1 1 58 ILE HA 5.500 . 5.500 3.731 3.570 3.869 . 0 0 "[ . 1 . 2]" 1
305 1 43 VAL MG2 1 82 TRP HH2 4.000 . 4.000 2.482 2.418 2.566 . 0 0 "[ . 1 . 2]" 1
306 1 43 VAL MG2 1 82 TRP HZ2 5.500 . 5.500 4.611 4.601 4.623 . 0 0 "[ . 1 . 2]" 1
307 1 43 VAL MG2 1 82 TRP HZ3 4.000 . 4.000 1.787 1.742 1.861 0.058 4 0 "[ . 1 . 2]" 1
308 1 43 VAL MG1 1 99 ILE MD 4.500 . 4.500 2.627 2.303 2.945 . 0 0 "[ . 1 . 2]" 1
309 1 43 VAL MG2 1 99 ILE MD 6.000 . 6.000 3.699 3.374 4.119 . 0 0 "[ . 1 . 2]" 1
310 1 43 VAL H 1 99 ILE MD 5.500 . 5.500 4.359 4.129 4.616 . 0 0 "[ . 1 . 2]" 1
311 1 43 VAL H 2 11 ALA H 5.000 . 5.000 3.708 3.579 3.889 . 0 0 "[ . 1 . 2]" 1
312 1 43 VAL MG1 1 44 VAL MG1 6.000 . 6.000 3.980 3.816 4.100 . 0 0 "[ . 1 . 2]" 1
313 1 43 VAL MG1 1 44 VAL MG2 6.000 . 6.000 4.227 4.216 4.254 . 0 0 "[ . 1 . 2]" 1
314 1 43 VAL HA 1 44 VAL H 2.800 . 2.800 2.261 2.242 2.281 . 0 0 "[ . 1 . 2]" 1
315 1 43 VAL HB 1 44 VAL H 5.000 . 5.000 3.928 3.886 3.987 . 0 0 "[ . 1 . 2]" 1
316 1 43 VAL MG1 1 44 VAL H 4.000 . 4.000 1.881 1.851 1.917 . 0 0 "[ . 1 . 2]" 1
317 1 43 VAL MG2 1 44 VAL H 4.000 . 4.000 3.372 3.351 3.396 . 0 0 "[ . 1 . 2]" 1
318 1 44 VAL H 1 44 VAL MG1 4.000 . 4.000 3.350 2.784 3.400 . 0 0 "[ . 1 . 2]" 1
319 1 44 VAL H 1 45 GLY H 5.000 . 5.000 4.418 4.271 4.533 . 0 0 "[ . 1 . 2]" 1
320 1 44 VAL MG2 1 47 LYS QE 4.500 . 4.500 3.258 2.286 3.357 . 0 0 "[ . 1 . 2]" 1
321 1 44 VAL H 1 56 ALA MB 5.500 . 5.500 3.624 3.439 3.836 . 0 0 "[ . 1 . 2]" 1
322 1 44 VAL MG1 1 57 PHE QB 6.000 . 6.000 2.856 2.128 3.382 . 0 0 "[ . 1 . 2]" 1
323 1 44 VAL MG1 1 57 PHE QD 6.500 . 6.500 3.332 2.956 3.731 . 0 0 "[ . 1 . 2]" 1
324 1 44 VAL H 1 57 PHE H 3.500 . 3.500 2.373 2.214 2.642 . 0 0 "[ . 1 . 2]" 1
325 1 44 VAL H 1 58 ILE HA 3.500 . 3.500 3.518 3.448 3.555 0.055 19 0 "[ . 1 . 2]" 1
326 1 44 VAL H 1 59 THR H 5.000 . 5.000 3.978 3.783 4.129 . 0 0 "[ . 1 . 2]" 1
327 1 44 VAL MG2 2 7 GLU HA 5.500 . 5.500 1.957 1.809 2.145 . 0 0 "[ . 1 . 2]" 1
328 1 44 VAL MG2 2 7 GLU QB 4.500 . 4.500 3.290 3.156 3.378 . 0 0 "[ . 1 . 2]" 1
329 1 44 VAL MG2 2 7 GLU QG 5.500 . 5.500 3.904 3.386 4.089 . 0 0 "[ . 1 . 2]" 1
330 1 44 VAL MG2 2 8 GLY QA 5.000 . 5.000 2.491 1.907 2.857 . 0 0 "[ . 1 . 2]" 1
331 1 44 VAL MG1 1 45 GLY QA 6.000 . 6.000 3.152 2.988 3.381 . 0 0 "[ . 1 . 2]" 1
332 1 44 VAL HA 1 45 GLY H 2.800 . 2.800 2.293 2.150 2.404 . 0 0 "[ . 1 . 2]" 1
333 1 44 VAL HB 1 45 GLY H 5.000 . 5.000 4.210 4.016 4.495 . 0 0 "[ . 1 . 2]" 1
334 1 44 VAL MG1 1 45 GLY H 4.000 . 4.000 2.383 1.950 3.364 . 0 0 "[ . 1 . 2]" 1
335 1 44 VAL MG2 1 45 GLY H 4.000 . 4.000 3.130 2.733 3.355 . 0 0 "[ . 1 . 2]" 1
336 1 45 GLY H 1 46 GLY H 5.000 . 5.000 4.467 4.304 4.545 . 0 0 "[ . 1 . 2]" 1
337 1 45 GLY H 1 56 ALA HA 5.000 . 5.000 4.619 4.307 4.908 . 0 0 "[ . 1 . 2]" 1
338 1 45 GLY H 1 92 ASN HA 5.000 . 5.000 3.785 3.657 4.032 . 0 0 "[ . 1 . 2]" 1
339 1 45 GLY H 1 92 ASN QB 5.500 . 5.500 3.957 3.546 4.907 . 0 0 "[ . 1 . 2]" 1
340 1 45 GLY QA 1 95 VAL MG1 6.000 . 6.000 2.812 2.398 3.244 . 0 0 "[ . 1 . 2]" 1
341 1 45 GLY H 1 96 TYR QE 4.500 . 4.500 3.697 3.296 4.015 . 0 0 "[ . 1 . 2]" 1
342 1 45 GLY H 2 8 GLY HA2 5.500 . 5.500 4.114 3.833 4.549 . 0 0 "[ . 1 . 2]" 1
343 1 45 GLY H 2 9 ILE MD 5.500 . 5.500 3.873 3.103 4.593 . 0 0 "[ . 1 . 2]" 1
344 1 45 GLY H 2 9 ILE QG 5.500 . 5.500 4.039 3.453 4.805 . 0 0 "[ . 1 . 2]" 1
345 1 45 GLY QA 1 46 GLY H 3.500 . 3.500 2.213 2.107 2.279 . 0 0 "[ . 1 . 2]" 1
346 1 46 GLY H 1 47 LYS H 3.500 . 3.500 2.613 2.427 2.966 . 0 0 "[ . 1 . 2]" 1
347 1 46 GLY QA 1 54 LEU HA 5.500 . 5.500 4.148 3.871 4.412 . 0 0 "[ . 1 . 2]" 1
348 1 46 GLY QA 1 54 LEU QB 4.500 . 4.500 2.388 1.944 2.921 . 0 0 "[ . 1 . 2]" 1
349 1 46 GLY QA 1 54 LEU MD1 4.500 . 4.500 2.242 2.070 2.454 . 0 0 "[ . 1 . 2]" 1
350 1 46 GLY H 1 54 LEU QB 5.500 . 5.500 3.317 2.983 3.615 . 0 0 "[ . 1 . 2]" 1
351 1 46 GLY H 1 54 LEU MD1 5.500 . 5.500 4.146 3.919 4.385 . 0 0 "[ . 1 . 2]" 1
352 1 46 GLY H 1 56 ALA HA 5.000 . 5.000 4.031 3.857 4.132 . 0 0 "[ . 1 . 2]" 1
353 1 46 GLY QA 1 91 THR HB 5.500 . 5.500 3.702 3.496 3.849 . 0 0 "[ . 1 . 2]" 1
354 1 46 GLY H 1 91 THR HA 5.000 . 5.000 3.445 3.212 3.656 . 0 0 "[ . 1 . 2]" 1
355 1 46 GLY H 1 92 ASN HA 5.000 . 5.000 3.545 3.299 3.932 . 0 0 "[ . 1 . 2]" 1
356 1 46 GLY H 1 92 ASN H 5.000 . 5.000 3.950 3.550 4.447 . 0 0 "[ . 1 . 2]" 1
357 1 46 GLY H 1 95 VAL HB 5.000 . 5.000 4.544 3.872 5.002 0.002 4 0 "[ . 1 . 2]" 1
358 1 44 VAL MG1 1 47 LYS QD 6.000 . 6.000 2.782 2.175 3.577 . 0 0 "[ . 1 . 2]" 1
359 1 44 VAL MG1 1 47 LYS QE 6.000 . 6.000 1.886 1.776 2.070 0.024 2 0 "[ . 1 . 2]" 1
360 1 44 VAL MG1 1 47 LYS QG 4.500 . 4.500 2.000 1.762 2.927 0.038 5 0 "[ . 1 . 2]" 1
361 1 44 VAL MG1 1 47 LYS H 5.500 . 5.500 4.277 3.826 4.588 . 0 0 "[ . 1 . 2]" 1
362 1 45 GLY QA 1 47 LYS H 5.500 . 5.500 3.770 3.200 4.365 . 0 0 "[ . 1 . 2]" 1
363 1 46 GLY QA 1 47 LYS H 3.500 . 3.500 2.634 2.394 2.840 . 0 0 "[ . 1 . 2]" 1
364 1 47 LYS H 1 47 LYS QD 5.500 . 5.500 4.237 3.675 4.737 . 0 0 "[ . 1 . 2]" 1
365 1 47 LYS H 1 47 LYS QG 3.500 . 3.500 2.880 2.407 3.120 . 0 0 "[ . 1 . 2]" 1
366 1 47 LYS H 1 48 MET H 5.000 . 5.000 3.956 3.787 4.208 . 0 0 "[ . 1 . 2]" 1
367 1 47 LYS H 1 54 LEU HA 5.000 . 5.000 3.503 2.863 4.029 . 0 0 "[ . 1 . 2]" 1
368 1 47 LYS H 1 54 LEU MD2 5.500 . 5.500 2.772 2.062 3.484 . 0 0 "[ . 1 . 2]" 1
369 1 47 LYS H 1 56 ALA HA 5.000 . 5.000 4.473 4.112 4.993 . 0 0 "[ . 1 . 2]" 1
370 1 47 LYS QG 1 57 PHE H 5.500 . 5.500 3.747 3.325 4.218 . 0 0 "[ . 1 . 2]" 1
371 1 47 LYS H 1 57 PHE QE 6.000 . 6.000 4.639 3.968 5.132 . 0 0 "[ . 1 . 2]" 1
372 1 47 LYS HA 1 48 MET H 2.800 . 2.800 2.230 2.117 2.289 . 0 0 "[ . 1 . 2]" 1
373 1 47 LYS QB 1 48 MET H 5.500 . 5.500 3.714 3.411 3.821 . 0 0 "[ . 1 . 2]" 1
374 1 47 LYS QD 1 48 MET H 5.500 . 5.500 4.124 3.648 4.910 . 0 0 "[ . 1 . 2]" 1
375 1 47 LYS QG 1 48 MET H 5.500 . 5.500 4.677 3.997 4.880 . 0 0 "[ . 1 . 2]" 1
376 1 48 MET HA 1 48 MET ME 4.000 . 4.000 2.582 1.952 3.119 . 0 0 "[ . 1 . 2]" 1
377 1 48 MET H 1 48 MET ME 5.500 . 5.500 4.327 3.765 4.582 . 0 0 "[ . 1 . 2]" 1
378 1 48 MET ME 1 49 THR H 5.500 . 5.500 3.611 2.733 4.265 . 0 0 "[ . 1 . 2]" 1
379 1 48 MET H 1 49 THR H 5.000 . 5.000 4.419 4.337 4.538 . 0 0 "[ . 1 . 2]" 1
380 1 48 MET ME 1 52 GLY QA 4.500 . 4.500 2.971 2.293 3.307 . 0 0 "[ . 1 . 2]" 1
381 1 48 MET ME 1 53 ARG HA 5.500 . 5.500 2.533 2.023 3.224 . 0 0 "[ . 1 . 2]" 1
382 1 48 MET ME 1 54 LEU QB 6.000 . 6.000 3.750 3.334 4.131 . 0 0 "[ . 1 . 2]" 1
383 1 48 MET ME 1 54 LEU MD2 4.500 . 4.500 2.093 1.915 2.717 . 0 0 "[ . 1 . 2]" 1
384 1 48 MET ME 1 54 LEU HG 4.000 . 4.000 2.177 1.902 2.462 . 0 0 "[ . 1 . 2]" 1
385 1 48 MET H 1 54 LEU HA 5.000 . 5.000 4.165 3.901 4.561 . 0 0 "[ . 1 . 2]" 1
386 1 48 MET H 1 54 LEU MD2 4.000 . 4.000 2.423 2.251 2.625 . 0 0 "[ . 1 . 2]" 1
387 1 48 MET HA 1 49 THR H 3.500 . 3.500 2.148 2.134 2.170 . 0 0 "[ . 1 . 2]" 1
388 1 48 MET QB 1 49 THR H 5.500 . 5.500 3.874 3.766 3.937 . 0 0 "[ . 1 . 2]" 1
389 1 48 MET QG 1 49 THR H 4.000 . 4.000 3.068 2.546 3.550 . 0 0 "[ . 1 . 2]" 1
390 1 49 THR H 1 49 THR MG 4.000 . 4.000 2.663 2.237 3.143 . 0 0 "[ . 1 . 2]" 1
391 1 49 THR H 1 51 LEU H 5.000 . 5.000 4.340 4.102 4.544 . 0 0 "[ . 1 . 2]" 1
392 1 49 THR H 1 52 GLY H 5.000 . 5.000 3.767 3.486 4.373 . 0 0 "[ . 1 . 2]" 1
393 1 49 THR H 1 53 ARG H 3.500 . 3.500 3.259 3.032 3.476 . 0 0 "[ . 1 . 2]" 1
394 1 49 THR H 1 54 LEU MD2 5.500 . 5.500 3.735 3.448 3.954 . 0 0 "[ . 1 . 2]" 1
395 1 49 THR MG 1 55 GLY QA 6.000 . 6.000 3.948 3.471 4.366 . 0 0 "[ . 1 . 2]" 1
396 1 49 THR MG 1 55 GLY H 5.500 . 5.500 4.167 3.829 4.580 . 0 0 "[ . 1 . 2]" 1
397 1 49 THR H 1 55 GLY H 5.000 . 5.000 4.797 4.474 5.007 0.007 10 0 "[ . 1 . 2]" 1
398 1 49 THR MG 1 57 PHE QD 6.500 . 6.500 4.380 3.806 4.709 . 0 0 "[ . 1 . 2]" 1
399 1 49 THR MG 1 57 PHE HZ 4.000 . 4.000 2.341 1.856 2.697 . 0 0 "[ . 1 . 2]" 1
400 1 49 THR HB 1 50 ASP H 5.000 . 5.000 2.029 1.971 2.181 . 0 0 "[ . 1 . 2]" 1
401 1 49 THR HB 1 51 LEU H 3.500 . 3.500 2.662 2.346 3.068 . 0 0 "[ . 1 . 2]" 1
402 1 49 THR MG 1 51 LEU H 5.500 . 5.500 4.088 4.005 4.163 . 0 0 "[ . 1 . 2]" 1
403 1 50 ASP QB 1 51 LEU MD1 6.000 . 6.000 3.698 3.330 4.480 . 0 0 "[ . 1 . 2]" 1
404 1 50 ASP QB 1 51 LEU MD2 6.000 . 6.000 2.881 2.435 3.611 . 0 0 "[ . 1 . 2]" 1
405 1 50 ASP QB 1 51 LEU H 4.000 . 4.000 3.185 2.996 3.585 . 0 0 "[ . 1 . 2]" 1
406 1 50 ASP H 1 51 LEU H 5.000 . 5.000 2.587 2.533 2.662 . 0 0 "[ . 1 . 2]" 1
407 1 51 LEU H 1 51 LEU MD1 4.000 . 4.000 3.323 3.187 3.345 . 0 0 "[ . 1 . 2]" 1
408 1 51 LEU H 1 51 LEU MD2 4.000 . 4.000 2.116 1.882 3.341 . 0 0 "[ . 1 . 2]" 1
409 1 51 LEU H 1 52 GLY QA 5.500 . 5.500 4.381 4.290 4.489 . 0 0 "[ . 1 . 2]" 1
410 1 51 LEU H 1 52 GLY H 2.800 . 2.800 2.463 2.338 2.611 . 0 0 "[ . 1 . 2]" 1
411 1 51 LEU H 1 53 ARG H 5.000 . 5.000 3.801 3.518 3.997 . 0 0 "[ . 1 . 2]" 1
412 1 48 MET ME 1 52 GLY H 5.500 . 5.500 4.154 3.650 4.583 . 0 0 "[ . 1 . 2]" 1
413 1 48 MET QG 1 52 GLY H 5.500 . 5.500 3.863 3.540 4.390 . 0 0 "[ . 1 . 2]" 1
414 1 51 LEU HA 1 52 GLY H 3.500 . 3.500 3.460 3.163 3.528 0.028 18 0 "[ . 1 . 2]" 1
415 1 51 LEU QB 1 52 GLY H 4.000 . 4.000 2.830 2.314 3.571 . 0 0 "[ . 1 . 2]" 1
416 1 51 LEU MD2 1 52 GLY H 5.500 . 5.500 3.905 3.602 4.634 . 0 0 "[ . 1 . 2]" 1
417 1 52 GLY H 1 53 ARG H 2.800 . 2.800 2.120 1.869 2.759 . 0 0 "[ . 1 . 2]" 1
418 1 48 MET HA 1 53 ARG H 5.000 . 5.000 4.308 4.131 4.489 . 0 0 "[ . 1 . 2]" 1
419 1 48 MET ME 1 53 ARG H 5.500 . 5.500 3.256 2.460 3.917 . 0 0 "[ . 1 . 2]" 1
420 1 51 LEU HA 1 53 ARG H 5.000 . 5.000 4.875 4.617 5.008 0.008 15 0 "[ . 1 . 2]" 1
421 1 52 GLY QA 1 53 ARG H 3.500 . 3.500 2.879 2.751 2.917 . 0 0 "[ . 1 . 2]" 1
422 1 53 ARG H 1 53 ARG QG 4.000 . 4.000 2.815 1.961 3.480 . 0 0 "[ . 1 . 2]" 1
423 1 53 ARG H 1 54 LEU H 5.000 . 5.000 4.442 4.339 4.478 . 0 0 "[ . 1 . 2]" 1
424 1 46 GLY QA 1 54 LEU MD2 4.500 . 4.500 2.533 2.125 2.798 . 0 0 "[ . 1 . 2]" 1
425 1 47 LYS H 1 54 LEU MD1 5.500 . 5.500 4.225 3.817 4.540 . 0 0 "[ . 1 . 2]" 1
426 1 48 MET ME 1 54 LEU MD1 6.000 . 6.000 3.349 2.977 3.554 . 0 0 "[ . 1 . 2]" 1
427 1 48 MET H 1 54 LEU MD1 5.500 . 5.500 4.581 4.509 4.600 . 0 0 "[ . 1 . 2]" 1
428 1 48 MET HA 1 54 LEU MD2 5.500 . 5.500 2.004 1.907 2.290 . 0 0 "[ . 1 . 2]" 1
429 1 48 MET QB 1 54 LEU MD2 4.500 . 4.500 2.176 1.881 2.816 . 0 0 "[ . 1 . 2]" 1
430 1 48 MET QG 1 54 LEU MD2 5.000 . 5.000 3.343 2.955 3.615 . 0 0 "[ . 1 . 2]" 1
431 1 48 MET HA 1 54 LEU H 5.000 . 5.000 4.546 4.323 4.844 . 0 0 "[ . 1 . 2]" 1
432 1 48 MET ME 1 54 LEU H 5.500 . 5.500 3.156 2.694 3.656 . 0 0 "[ . 1 . 2]" 1
433 1 53 ARG QB 1 54 LEU H 4.000 . 4.000 2.578 2.271 2.967 . 0 0 "[ . 1 . 2]" 1
434 1 53 ARG QD 1 54 LEU H 5.500 . 5.500 4.066 2.727 4.877 . 0 0 "[ . 1 . 2]" 1
435 1 54 LEU H 1 54 LEU MD1 5.500 . 5.500 3.910 3.743 4.034 . 0 0 "[ . 1 . 2]" 1
436 1 54 LEU H 1 54 LEU HG 3.500 . 3.500 2.762 2.508 3.060 . 0 0 "[ . 1 . 2]" 1
437 1 54 LEU MD1 1 55 GLY H 5.500 . 5.500 4.569 4.479 4.596 . 0 0 "[ . 1 . 2]" 1
438 1 54 LEU H 1 55 GLY H 5.000 . 5.000 4.582 4.568 4.595 . 0 0 "[ . 1 . 2]" 1
439 1 54 LEU H 1 89 GLY QA 4.000 . 4.000 2.627 2.232 3.129 . 0 0 "[ . 1 . 2]" 1
440 1 54 LEU H 1 89 GLY H 5.000 . 5.000 2.696 2.398 3.183 . 0 0 "[ . 1 . 2]" 1
441 1 54 LEU MD1 1 90 ALA H 5.500 . 5.500 4.489 4.266 4.587 . 0 0 "[ . 1 . 2]" 1
442 1 54 LEU MD1 1 91 THR HA 4.000 . 4.000 1.834 1.811 1.924 . 0 0 "[ . 1 . 2]" 1
443 1 54 LEU MD1 1 91 THR HB 4.000 . 4.000 1.920 1.875 1.958 . 0 0 "[ . 1 . 2]" 1
444 1 54 LEU MD2 1 91 THR HA 5.500 . 5.500 3.545 3.127 3.752 . 0 0 "[ . 1 . 2]" 1
445 1 46 GLY QA 1 55 GLY H 5.500 . 5.500 3.815 3.530 4.177 . 0 0 "[ . 1 . 2]" 1
446 1 47 LYS QB 1 55 GLY H 5.500 . 5.500 3.265 2.942 4.417 . 0 0 "[ . 1 . 2]" 1
447 1 47 LYS H 1 55 GLY H 3.500 . 3.500 2.264 1.966 2.744 . 0 0 "[ . 1 . 2]" 1
448 1 54 LEU HA 1 55 GLY QA 5.500 . 5.500 3.903 3.896 3.909 . 0 0 "[ . 1 . 2]" 1
449 1 54 LEU HA 1 55 GLY H 2.800 . 2.800 2.274 2.232 2.341 . 0 0 "[ . 1 . 2]" 1
450 1 54 LEU QB 1 55 GLY H 4.000 . 4.000 2.724 2.530 2.863 . 0 0 "[ . 1 . 2]" 1
451 1 54 LEU MD2 1 55 GLY H 4.000 . 4.000 3.095 2.629 3.335 . 0 0 "[ . 1 . 2]" 1
452 1 55 GLY QA 1 57 PHE QE 6.500 . 6.500 3.899 3.411 4.326 . 0 0 "[ . 1 . 2]" 1
453 1 55 GLY H 1 57 PHE QE 6.000 . 6.000 4.164 3.526 4.606 . 0 0 "[ . 1 . 2]" 1
454 1 43 VAL MG1 1 56 ALA MB 4.500 . 4.500 1.879 1.770 2.028 0.030 12 0 "[ . 1 . 2]" 1
455 1 43 VAL MG2 1 56 ALA MB 4.500 . 4.500 3.090 2.869 3.134 . 0 0 "[ . 1 . 2]" 1
456 1 44 VAL MG1 1 56 ALA HA 5.500 . 5.500 3.485 3.154 3.786 . 0 0 "[ . 1 . 2]" 1
457 1 45 GLY QA 1 56 ALA HA 5.500 . 5.500 2.461 1.981 2.892 . 0 0 "[ . 1 . 2]" 1
458 1 45 GLY QA 1 56 ALA MB 4.500 . 4.500 2.927 2.655 3.174 . 0 0 "[ . 1 . 2]" 1
459 1 46 GLY H 1 56 ALA MB 5.500 . 5.500 4.472 4.210 4.588 . 0 0 "[ . 1 . 2]" 1
460 1 55 GLY QA 1 56 ALA MB 6.000 . 6.000 3.642 3.576 3.676 . 0 0 "[ . 1 . 2]" 1
461 1 55 GLY QA 1 56 ALA H 3.500 . 3.500 2.236 2.192 2.266 . 0 0 "[ . 1 . 2]" 1
462 1 55 GLY H 1 56 ALA H 5.000 . 5.000 4.291 4.208 4.350 . 0 0 "[ . 1 . 2]" 1
463 1 56 ALA H 1 57 PHE QE 6.000 . 6.000 4.595 4.110 4.956 . 0 0 "[ . 1 . 2]" 1
464 1 56 ALA H 1 57 PHE H 5.000 . 5.000 4.435 4.240 4.490 . 0 0 "[ . 1 . 2]" 1
465 1 56 ALA H 1 78 GLU QG 5.500 . 5.500 2.948 2.669 3.210 . 0 0 "[ . 1 . 2]" 1
466 1 56 ALA MB 1 79 VAL HB 5.500 . 5.500 2.619 2.080 2.904 . 0 0 "[ . 1 . 2]" 1
467 1 56 ALA MB 1 99 ILE MD 6.000 . 6.000 3.720 3.502 4.123 . 0 0 "[ . 1 . 2]" 1
468 1 43 VAL HA 1 57 PHE H 5.000 . 5.000 4.265 4.063 4.493 . 0 0 "[ . 1 . 2]" 1
469 1 43 VAL MG1 1 57 PHE H 4.000 . 4.000 2.556 2.349 2.924 . 0 0 "[ . 1 . 2]" 1
470 1 44 VAL HB 1 57 PHE H 5.000 . 5.000 3.284 2.967 4.201 . 0 0 "[ . 1 . 2]" 1
471 1 44 VAL MG1 1 57 PHE H 4.000 . 4.000 2.850 2.305 2.989 . 0 0 "[ . 1 . 2]" 1
472 1 44 VAL MG2 1 57 PHE H 5.500 . 5.500 4.595 4.492 4.644 . 0 0 "[ . 1 . 2]" 1
473 1 45 GLY QA 1 57 PHE H 5.500 . 5.500 3.869 3.385 4.297 . 0 0 "[ . 1 . 2]" 1
474 1 47 LYS QB 1 57 PHE QD 5.000 . 5.000 2.380 2.075 3.975 . 0 0 "[ . 1 . 2]" 1
475 1 47 LYS QG 1 57 PHE QD 6.500 . 6.500 2.242 1.983 2.750 . 0 0 "[ . 1 . 2]" 1
476 1 47 LYS QB 1 57 PHE QE 6.000 . 6.000 2.480 1.963 4.651 . 0 0 "[ . 1 . 2]" 1
477 1 47 LYS QD 1 57 PHE QE 6.500 . 6.500 4.553 2.774 5.159 . 0 0 "[ . 1 . 2]" 1
478 1 47 LYS QB 1 57 PHE H 5.500 . 5.500 4.664 4.389 4.915 . 0 0 "[ . 1 . 2]" 1
479 1 49 THR MG 1 57 PHE QE 6.500 . 6.500 2.516 2.027 2.954 . 0 0 "[ . 1 . 2]" 1
480 1 56 ALA HA 1 57 PHE H 2.800 . 2.800 2.237 2.141 2.321 . 0 0 "[ . 1 . 2]" 1
481 1 56 ALA MB 1 57 PHE H 4.000 . 4.000 2.848 2.553 3.154 . 0 0 "[ . 1 . 2]" 1
482 1 57 PHE H 1 57 PHE QD 4.500 . 4.500 3.145 2.657 3.497 . 0 0 "[ . 1 . 2]" 1
483 1 57 PHE HA 1 58 ILE QG 5.500 . 5.500 3.684 3.583 3.798 . 0 0 "[ . 1 . 2]" 1
484 1 57 PHE H 1 58 ILE H 5.000 . 5.000 4.369 4.271 4.475 . 0 0 "[ . 1 . 2]" 1
485 1 57 PHE QD 1 78 GLU HA 6.500 . 6.500 3.455 2.985 3.801 . 0 0 "[ . 1 . 2]" 1
486 1 57 PHE QE 1 78 GLU QB 6.500 . 6.500 2.556 2.022 3.077 . 0 0 "[ . 1 . 2]" 1
487 1 57 PHE QE 1 78 GLU QG 6.500 . 6.500 2.825 2.678 3.240 . 0 0 "[ . 1 . 2]" 1
488 1 57 PHE HA 1 79 VAL HB 5.000 . 5.000 4.861 4.647 5.012 0.012 13 0 "[ . 1 . 2]" 1
489 1 57 PHE HA 1 79 VAL MG2 5.500 . 5.500 4.421 4.249 4.586 . 0 0 "[ . 1 . 2]" 1
490 1 43 VAL HA 1 58 ILE MG 5.500 . 5.500 3.704 3.610 3.770 . 0 0 "[ . 1 . 2]" 1
491 1 57 PHE HA 1 58 ILE MD 6.500 . 6.500 4.593 4.396 4.712 . 0 0 "[ . 1 . 2]" 1
492 1 57 PHE HA 1 58 ILE H 2.800 . 2.800 2.217 2.179 2.277 . 0 0 "[ . 1 . 2]" 1
493 1 57 PHE QB 1 58 ILE H 4.000 . 4.000 2.975 2.766 3.178 . 0 0 "[ . 1 . 2]" 1
494 1 57 PHE QD 1 58 ILE H 6.000 . 6.000 3.797 3.507 4.099 . 0 0 "[ . 1 . 2]" 1
495 1 58 ILE H 1 58 ILE MD 4.000 . 4.000 3.285 3.103 3.339 . 0 0 "[ . 1 . 2]" 1
496 1 58 ILE H 1 58 ILE QG 4.000 . 4.000 2.381 2.163 2.516 . 0 0 "[ . 1 . 2]" 1
497 1 58 ILE H 1 59 THR H 5.000 . 5.000 4.447 4.410 4.477 . 0 0 "[ . 1 . 2]" 1
498 1 58 ILE MD 1 60 LYS H 6.500 . 6.500 5.414 5.396 5.422 . 0 0 "[ . 1 . 2]" 1
499 1 58 ILE MG 1 60 LYS HA 5.500 . 5.500 3.249 3.169 3.415 . 0 0 "[ . 1 . 2]" 1
500 1 58 ILE MD 1 73 LEU HA 5.500 . 5.500 4.585 4.549 4.600 . 0 0 "[ . 1 . 2]" 1
501 1 58 ILE MD 1 74 ARG H 5.500 . 5.500 3.374 3.180 3.471 . 0 0 "[ . 1 . 2]" 1
502 1 58 ILE MD 1 75 ALA HA 5.500 . 5.500 3.774 3.533 3.982 . 0 0 "[ . 1 . 2]" 1
503 1 58 ILE MG 1 75 ALA HA 4.000 . 4.000 1.931 1.881 1.961 . 0 0 "[ . 1 . 2]" 1
504 1 58 ILE MG 1 75 ALA H 5.500 . 5.500 3.414 3.113 3.555 . 0 0 "[ . 1 . 2]" 1
505 1 58 ILE H 1 75 ALA HA 5.000 . 5.000 4.170 4.016 4.298 . 0 0 "[ . 1 . 2]" 1
506 1 58 ILE H 1 76 GLY H 5.000 . 5.000 2.851 2.638 3.027 . 0 0 "[ . 1 . 2]" 1
507 1 58 ILE MD 1 77 ASP QB 6.000 . 6.000 1.872 1.793 1.967 0.007 5 0 "[ . 1 . 2]" 1
508 1 58 ILE H 1 77 ASP HA 5.000 . 5.000 4.862 4.805 4.910 . 0 0 "[ . 1 . 2]" 1
509 1 58 ILE H 1 78 GLU HA 5.000 . 5.000 4.036 3.909 4.216 . 0 0 "[ . 1 . 2]" 1
510 1 42 LYS QB 1 59 THR H 5.500 . 5.500 3.178 2.953 3.493 . 0 0 "[ . 1 . 2]" 1
511 1 43 VAL HA 1 59 THR H 3.500 . 3.500 2.609 2.377 2.769 . 0 0 "[ . 1 . 2]" 1
512 1 44 VAL HA 1 59 THR MG 5.500 . 5.500 3.944 3.495 4.584 . 0 0 "[ . 1 . 2]" 1
513 1 44 VAL HB 1 59 THR MG 4.000 . 4.000 2.661 2.210 3.339 . 0 0 "[ . 1 . 2]" 1
514 1 44 VAL H 1 59 THR MG 5.500 . 5.500 3.633 3.062 4.576 . 0 0 "[ . 1 . 2]" 1
515 1 44 VAL HB 1 59 THR H 5.500 . 5.500 4.374 3.979 4.673 . 0 0 "[ . 1 . 2]" 1
516 1 57 PHE QB 1 59 THR MG 6.000 . 6.000 4.091 3.860 4.435 . 0 0 "[ . 1 . 2]" 1
517 1 58 ILE HA 1 59 THR H 2.800 . 2.800 2.137 2.128 2.150 . 0 0 "[ . 1 . 2]" 1
518 1 58 ILE MG 1 59 THR H 4.000 . 4.000 2.851 2.573 2.960 . 0 0 "[ . 1 . 2]" 1
519 1 59 THR H 1 59 THR MG 4.000 . 4.000 2.461 1.922 3.329 . 0 0 "[ . 1 . 2]" 1
520 1 59 THR MG 1 60 LYS H 5.500 . 5.500 3.933 3.618 4.315 . 0 0 "[ . 1 . 2]" 1
521 1 59 THR H 1 60 LYS H 2.800 . 2.800 2.458 2.382 2.530 . 0 0 "[ . 1 . 2]" 1
522 1 59 THR MG 2 7 GLU QB 4.500 . 4.500 3.048 2.624 3.345 . 0 0 "[ . 1 . 2]" 1
523 1 41 LEU HA 1 60 LYS H 5.000 . 5.000 4.738 4.537 5.024 0.024 8 0 "[ . 1 . 2]" 1
524 1 42 LYS QD 1 60 LYS QG 6.000 . 6.000 3.257 2.341 4.030 . 0 0 "[ . 1 . 2]" 1
525 1 42 LYS QB 1 60 LYS H 4.000 . 4.000 2.634 2.361 3.001 . 0 0 "[ . 1 . 2]" 1
526 1 43 VAL HA 1 60 LYS H 5.000 . 5.000 4.628 4.435 4.756 . 0 0 "[ . 1 . 2]" 1
527 1 58 ILE HA 1 60 LYS H 4.000 . 4.000 3.742 3.691 3.823 . 0 0 "[ . 1 . 2]" 1
528 1 58 ILE HB 1 60 LYS H 5.000 . 5.000 4.639 4.508 4.689 . 0 0 "[ . 1 . 2]" 1
529 1 58 ILE MG 1 60 LYS H 4.000 . 4.000 2.264 2.075 2.327 . 0 0 "[ . 1 . 2]" 1
530 1 59 THR HA 1 60 LYS H 3.500 . 3.500 3.509 3.502 3.519 0.019 20 0 "[ . 1 . 2]" 1
531 1 59 THR HB 1 60 LYS H 5.000 . 5.000 3.807 3.255 4.112 . 0 0 "[ . 1 . 2]" 1
532 1 60 LYS H 1 60 LYS QD 5.500 . 5.500 4.466 3.928 4.756 . 0 0 "[ . 1 . 2]" 1
533 1 60 LYS H 1 60 LYS QG 4.000 . 4.000 2.738 2.512 2.913 . 0 0 "[ . 1 . 2]" 1
534 1 60 LYS QE 1 61 VAL H 5.500 . 5.500 4.241 3.625 4.710 . 0 0 "[ . 1 . 2]" 1
535 1 60 LYS H 1 61 VAL MG2 5.500 . 5.500 4.528 4.328 4.596 . 0 0 "[ . 1 . 2]" 1
536 1 60 LYS H 1 61 VAL H 5.000 . 5.000 4.310 4.244 4.353 . 0 0 "[ . 1 . 2]" 1
537 1 60 LYS H 1 75 ALA HA 5.000 . 5.000 3.913 3.820 3.955 . 0 0 "[ . 1 . 2]" 1
538 1 60 LYS QD 2 10 TRP HH2 5.500 . 5.500 2.767 2.183 3.538 . 0 0 "[ . 1 . 2]" 1
539 1 60 LYS QD 2 10 TRP HZ2 4.500 . 4.500 3.712 3.484 3.942 . 0 0 "[ . 1 . 2]" 1
540 1 60 LYS QE 2 10 TRP HH2 5.500 . 5.500 3.112 2.232 4.102 . 0 0 "[ . 1 . 2]" 1
541 1 60 LYS QE 2 10 TRP HZ2 5.500 . 5.500 4.440 3.495 4.902 . 0 0 "[ . 1 . 2]" 1
542 1 60 LYS QG 2 10 TRP HH2 4.000 . 4.000 3.275 3.075 3.528 . 0 0 "[ . 1 . 2]" 1
543 1 60 LYS QG 2 10 TRP HZ2 5.500 . 5.500 4.915 4.901 4.934 . 0 0 "[ . 1 . 2]" 1
544 1 41 LEU HA 1 61 VAL MG1 5.500 . 5.500 2.817 2.580 3.008 . 0 0 "[ . 1 . 2]" 1
545 1 41 LEU HA 1 61 VAL MG2 5.500 . 5.500 4.594 4.583 4.613 . 0 0 "[ . 1 . 2]" 1
546 1 60 LYS H 1 61 VAL MG1 5.500 . 5.500 4.591 4.582 4.601 . 0 0 "[ . 1 . 2]" 1
547 1 60 LYS HA 1 61 VAL H 2.800 . 2.800 2.292 2.215 2.352 . 0 0 "[ . 1 . 2]" 1
548 1 60 LYS QB 1 61 VAL H 5.500 . 5.500 2.611 2.446 2.818 . 0 0 "[ . 1 . 2]" 1
549 1 60 LYS QG 1 61 VAL H 4.000 . 4.000 3.571 3.561 3.577 . 0 0 "[ . 1 . 2]" 1
550 1 61 VAL H 1 61 VAL MG2 4.000 . 4.000 1.937 1.905 2.007 . 0 0 "[ . 1 . 2]" 1
551 1 61 VAL MG1 1 68 ASP QB 5.500 . 5.500 3.855 3.650 4.055 . 0 0 "[ . 1 . 2]" 1
552 1 61 VAL H 1 75 ALA MB 4.000 . 4.000 3.343 3.336 3.352 . 0 0 "[ . 1 . 2]" 1
553 1 41 LEU HA 1 62 LYS H 5.000 . 5.000 2.958 2.842 3.102 . 0 0 "[ . 1 . 2]" 1
554 1 61 VAL HA 1 62 LYS H 2.800 . 2.800 2.182 2.164 2.206 . 0 0 "[ . 1 . 2]" 1
555 1 61 VAL MG1 1 62 LYS H 4.000 . 4.000 3.147 3.089 3.236 . 0 0 "[ . 1 . 2]" 1
556 1 61 VAL H 1 62 LYS H 5.000 . 5.000 4.370 4.254 4.444 . 0 0 "[ . 1 . 2]" 1
557 1 62 LYS QB 1 63 LYS H 5.500 . 5.500 3.741 3.552 3.942 . 0 0 "[ . 1 . 2]" 1
558 1 62 LYS H 2 10 TRP HZ3 5.000 . 5.000 5.008 4.944 5.025 0.025 1 0 "[ . 1 . 2]" 1
559 1 62 LYS HA 1 63 LYS H 5.000 . 5.000 2.160 2.142 2.167 . 0 0 "[ . 1 . 2]" 1
560 1 63 LYS H 1 63 LYS QG 5.000 . 5.000 3.126 2.120 4.038 . 0 0 "[ . 1 . 2]" 1
561 1 63 LYS HA 1 64 GLY H 3.500 . 3.500 2.183 2.148 2.322 . 0 0 "[ . 1 . 2]" 1
562 1 63 LYS QG 1 64 GLY H 5.500 . 5.500 3.816 2.122 4.591 . 0 0 "[ . 1 . 2]" 1
563 1 62 LYS QD 1 65 SER H 5.500 . 5.500 4.274 2.362 4.896 . 0 0 "[ . 1 . 2]" 1
564 1 63 LYS HA 1 65 SER H 5.000 . 5.000 3.775 3.194 3.998 . 0 0 "[ . 1 . 2]" 1
565 1 64 GLY QA 1 65 SER H 4.000 . 4.000 2.842 2.784 2.904 . 0 0 "[ . 1 . 2]" 1
566 1 64 GLY H 1 65 SER H 3.500 . 3.500 2.408 2.297 2.681 . 0 0 "[ . 1 . 2]" 1
567 1 65 SER H 1 68 ASP QB 3.500 . 3.500 3.026 2.521 3.123 . 0 0 "[ . 1 . 2]" 1
568 1 65 SER H 1 68 ASP H 5.000 . 5.000 4.138 3.784 4.242 . 0 0 "[ . 1 . 2]" 1
569 1 65 SER H 1 69 VAL MG2 5.500 . 5.500 4.453 3.666 4.585 . 0 0 "[ . 1 . 2]" 1
570 1 65 SER H 1 69 VAL H 5.000 . 5.000 4.738 4.025 4.992 . 0 0 "[ . 1 . 2]" 1
571 1 25 LEU MD2 1 66 LEU QB 6.000 . 6.000 1.789 1.712 1.860 0.088 18 0 "[ . 1 . 2]" 1
572 1 25 LEU MD2 1 66 LEU MD2 4.500 . 4.500 3.121 3.013 3.138 . 0 0 "[ . 1 . 2]" 1
573 1 26 ASN H 1 66 LEU MD2 5.500 . 5.500 2.958 2.665 3.403 . 0 0 "[ . 1 . 2]" 1
574 1 27 LYS HA 1 66 LEU MD1 4.000 . 4.000 2.998 2.655 3.299 . 0 0 "[ . 1 . 2]" 1
575 1 27 LYS H 1 66 LEU MD1 5.500 . 5.500 4.529 4.380 4.604 . 0 0 "[ . 1 . 2]" 1
576 1 29 THR H 1 66 LEU MD2 5.500 . 5.500 4.476 3.978 4.595 . 0 0 "[ . 1 . 2]" 1
577 1 32 PRO QD 1 66 LEU MD2 6.000 . 6.000 4.096 1.938 4.462 . 0 0 "[ . 1 . 2]" 1
578 1 39 LEU HA 1 66 LEU MD1 4.000 . 4.000 2.321 1.943 2.864 . 0 0 "[ . 1 . 2]" 1
579 1 65 SER HA 1 66 LEU H 3.500 . 3.500 2.510 2.399 2.622 . 0 0 "[ . 1 . 2]" 1
580 1 66 LEU H 1 66 LEU MD2 5.500 . 5.500 3.851 3.551 4.125 . 0 0 "[ . 1 . 2]" 1
581 1 66 LEU H 1 66 LEU MD1 5.500 . 5.500 2.546 1.939 2.996 . 0 0 "[ . 1 . 2]" 1
582 1 66 LEU H 1 66 LEU HG 3.500 . 3.500 2.359 1.889 2.834 . 0 0 "[ . 1 . 2]" 1
583 1 66 LEU HA 1 67 ALA HA 5.000 . 5.000 4.876 4.855 4.896 . 0 0 "[ . 1 . 2]" 1
584 1 66 LEU MD1 1 67 ALA H 5.500 . 5.500 3.668 2.232 4.096 . 0 0 "[ . 1 . 2]" 1
585 1 40 GLY QA 1 67 ALA MB 6.000 . 6.000 2.032 1.819 2.630 . 0 0 "[ . 1 . 2]" 1
586 1 65 SER QB 1 67 ALA H 5.500 . 5.500 2.990 2.783 3.196 . 0 0 "[ . 1 . 2]" 1
587 1 65 SER H 1 67 ALA H 5.500 . 5.500 5.479 5.368 5.517 0.017 9 0 "[ . 1 . 2]" 1
588 1 66 LEU QB 1 67 ALA HA 5.500 . 5.500 3.752 3.699 3.793 . 0 0 "[ . 1 . 2]" 1
589 1 66 LEU HA 1 67 ALA MB 6.500 . 6.500 5.011 4.989 5.016 . 0 0 "[ . 1 . 2]" 1
590 1 66 LEU HA 1 67 ALA H 3.500 . 3.500 3.543 3.532 3.549 0.049 18 0 "[ . 1 . 2]" 1
591 1 66 LEU QB 1 67 ALA H 4.000 . 4.000 2.326 2.194 2.671 . 0 0 "[ . 1 . 2]" 1
592 1 66 LEU HG 1 67 ALA H 5.000 . 5.000 4.400 3.899 4.660 . 0 0 "[ . 1 . 2]" 1
593 1 66 LEU H 1 67 ALA H 5.000 . 5.000 2.817 2.599 2.925 . 0 0 "[ . 1 . 2]" 1
594 1 67 ALA H 1 68 ASP H 3.500 . 3.500 2.839 2.789 2.884 . 0 0 "[ . 1 . 2]" 1
595 1 67 ALA HA 1 71 GLY QA 5.500 . 5.500 2.581 2.063 2.876 . 0 0 "[ . 1 . 2]" 1
596 1 67 ALA HA 1 73 LEU MD1 5.500 . 5.500 3.423 3.071 3.618 . 0 0 "[ . 1 . 2]" 1
597 1 25 LEU MD1 1 68 ASP H 5.500 . 5.500 4.610 4.595 4.635 . 0 0 "[ . 1 . 2]" 1
598 1 66 LEU HA 1 68 ASP H 5.000 . 5.000 3.935 3.844 4.104 . 0 0 "[ . 1 . 2]" 1
599 1 67 ALA HA 1 68 ASP H 5.000 . 5.000 3.487 3.470 3.514 . 0 0 "[ . 1 . 2]" 1
600 1 67 ALA MB 1 68 ASP H 4.000 . 4.000 2.795 2.648 2.882 . 0 0 "[ . 1 . 2]" 1
601 1 68 ASP H 1 69 VAL H 3.500 . 3.500 2.487 2.431 2.568 . 0 0 "[ . 1 . 2]" 1
602 1 64 GLY QA 1 69 VAL MG1 4.500 . 4.500 3.170 2.872 3.347 . 0 0 "[ . 1 . 2]" 1
603 1 64 GLY H 1 69 VAL MG1 5.500 . 5.500 4.119 3.895 4.355 . 0 0 "[ . 1 . 2]" 1
604 1 64 GLY QA 1 69 VAL MG2 6.000 . 6.000 3.915 3.618 4.171 . 0 0 "[ . 1 . 2]" 1
605 1 64 GLY H 1 69 VAL MG2 5.500 . 5.500 4.591 4.583 4.595 . 0 0 "[ . 1 . 2]" 1
606 1 66 LEU HA 1 69 VAL MG2 4.000 . 4.000 1.854 1.790 1.933 0.010 13 0 "[ . 1 . 2]" 1
607 1 66 LEU HA 1 69 VAL H 5.000 . 5.000 3.367 3.284 3.439 . 0 0 "[ . 1 . 2]" 1
608 1 68 ASP QB 1 69 VAL MG1 6.000 . 6.000 3.332 3.127 3.527 . 0 0 "[ . 1 . 2]" 1
609 1 68 ASP QB 1 69 VAL MG2 6.000 . 6.000 3.449 3.272 3.601 . 0 0 "[ . 1 . 2]" 1
610 1 68 ASP H 1 69 VAL MG2 5.500 . 5.500 3.411 3.323 3.496 . 0 0 "[ . 1 . 2]" 1
611 1 68 ASP HA 1 69 VAL H 3.500 . 3.500 3.546 3.539 3.552 0.052 17 0 "[ . 1 . 2]" 1
612 1 68 ASP QB 1 69 VAL H 4.000 . 4.000 2.404 2.229 2.528 . 0 0 "[ . 1 . 2]" 1
613 1 69 VAL H 1 69 VAL MG2 4.000 . 4.000 1.846 1.798 1.889 0.002 13 0 "[ . 1 . 2]" 1
614 1 69 VAL H 1 69 VAL MG1 4.000 . 4.000 2.866 2.737 3.005 . 0 0 "[ . 1 . 2]" 1
615 1 69 VAL HA 1 70 VAL HA 5.000 . 5.000 4.595 4.569 4.628 . 0 0 "[ . 1 . 2]" 1
616 1 69 VAL MG1 1 70 VAL H 5.500 . 5.500 4.090 4.019 4.130 . 0 0 "[ . 1 . 2]" 1
617 1 69 VAL MG2 1 70 VAL H 5.500 . 5.500 1.883 1.828 1.914 . 0 0 "[ . 1 . 2]" 1
618 1 69 VAL H 1 70 VAL H 3.500 . 3.500 2.697 2.617 2.809 . 0 0 "[ . 1 . 2]" 1
619 1 25 LEU MD2 1 70 VAL H 5.500 . 5.500 3.745 3.641 3.965 . 0 0 "[ . 1 . 2]" 1
620 1 69 VAL H 1 70 VAL MG1 5.500 . 5.500 4.097 3.995 4.301 . 0 0 "[ . 1 . 2]" 1
621 1 69 VAL HA 1 70 VAL H 5.000 . 5.000 3.578 3.565 3.595 . 0 0 "[ . 1 . 2]" 1
622 1 70 VAL H 1 70 VAL MG1 4.000 . 4.000 2.215 2.064 2.452 . 0 0 "[ . 1 . 2]" 1
623 1 70 VAL MG1 1 71 GLY QA 6.000 . 6.000 2.962 2.762 3.013 . 0 0 "[ . 1 . 2]" 1
624 1 70 VAL MG1 1 71 GLY H 5.500 . 5.500 2.053 1.919 2.132 . 0 0 "[ . 1 . 2]" 1
625 1 70 VAL MG2 1 71 GLY H 5.500 . 5.500 3.799 3.655 3.943 . 0 0 "[ . 1 . 2]" 1
626 1 70 VAL H 1 71 GLY H 2.800 . 2.800 2.293 2.175 2.457 . 0 0 "[ . 1 . 2]" 1
627 1 70 VAL H 1 72 HIS H 5.000 . 5.000 4.177 4.023 4.335 . 0 0 "[ . 1 . 2]" 1
628 1 23 VAL MG1 1 71 GLY QA 4.500 . 4.500 1.785 1.716 1.905 0.084 12 0 "[ . 1 . 2]" 1
629 1 23 VAL MG1 1 71 GLY H 5.500 . 5.500 3.990 3.739 4.174 . 0 0 "[ . 1 . 2]" 1
630 1 25 LEU MD2 1 71 GLY H 4.000 . 4.000 3.157 2.868 3.335 . 0 0 "[ . 1 . 2]" 1
631 1 67 ALA HA 1 71 GLY H 5.000 . 5.000 2.940 2.758 3.098 . 0 0 "[ . 1 . 2]" 1
632 1 70 VAL HA 1 71 GLY H 4.000 . 4.000 3.501 3.486 3.550 . 0 0 "[ . 1 . 2]" 1
633 1 71 GLY H 1 72 HIS H 3.500 . 3.500 2.565 2.408 2.805 . 0 0 "[ . 1 . 2]" 1
634 1 68 ASP HA 1 72 HIS H 3.500 . 3.500 2.594 2.421 2.815 . 0 0 "[ . 1 . 2]" 1
635 1 69 VAL HA 1 72 HIS H 5.000 . 5.000 4.671 4.443 4.929 . 0 0 "[ . 1 . 2]" 1
636 1 71 GLY QA 1 72 HIS H 4.000 . 4.000 2.565 2.531 2.623 . 0 0 "[ . 1 . 2]" 1
637 1 72 HIS H 1 72 HIS HD2 5.000 . 5.000 4.198 3.636 4.724 . 0 0 "[ . 1 . 2]" 1
638 1 72 HIS H 1 73 LEU MD1 5.500 . 5.500 2.510 2.397 2.770 . 0 0 "[ . 1 . 2]" 1
639 1 72 HIS H 1 73 LEU H 3.500 . 3.500 2.872 2.727 3.037 . 0 0 "[ . 1 . 2]" 1
640 1 61 VAL MG1 1 73 LEU H 4.000 . 4.000 3.359 3.343 3.372 . 0 0 "[ . 1 . 2]" 1
641 1 61 VAL MG2 1 73 LEU H 5.500 . 5.500 4.594 4.580 4.603 . 0 0 "[ . 1 . 2]" 1
642 1 68 ASP HA 1 73 LEU H 3.500 . 3.500 2.948 2.685 3.145 . 0 0 "[ . 1 . 2]" 1
643 1 71 GLY QA 1 73 LEU MD2 6.000 . 6.000 3.560 3.330 3.812 . 0 0 "[ . 1 . 2]" 1
644 1 71 GLY QA 1 73 LEU H 5.500 . 5.500 4.089 3.881 4.282 . 0 0 "[ . 1 . 2]" 1
645 1 72 HIS H 1 73 LEU MD2 5.500 . 5.500 3.492 3.312 3.687 . 0 0 "[ . 1 . 2]" 1
646 1 72 HIS HA 1 73 LEU H 3.500 . 3.500 2.548 2.444 2.667 . 0 0 "[ . 1 . 2]" 1
647 1 72 HIS QB 1 73 LEU H 5.500 . 5.500 3.989 3.950 4.022 . 0 0 "[ . 1 . 2]" 1
648 1 73 LEU H 1 73 LEU MD1 4.000 . 4.000 2.165 1.979 2.421 . 0 0 "[ . 1 . 2]" 1
649 1 73 LEU H 1 73 LEU MD2 4.000 . 4.000 1.946 1.865 2.003 . 0 0 "[ . 1 . 2]" 1
650 1 73 LEU H 1 74 ARG H 5.000 . 5.000 4.404 4.391 4.419 . 0 0 "[ . 1 . 2]" 1
651 1 73 LEU MD2 1 77 ASP QB 6.000 . 6.000 4.376 4.234 4.453 . 0 0 "[ . 1 . 2]" 1
652 1 73 LEU MD1 1 110 ILE MD 6.000 . 6.000 3.578 3.401 3.713 . 0 0 "[ . 1 . 2]" 1
653 1 73 LEU MD2 1 110 ILE MD 6.000 . 6.000 4.176 4.167 4.186 . 0 0 "[ . 1 . 2]" 1
654 1 61 VAL MG1 1 74 ARG H 5.500 . 5.500 4.221 4.105 4.412 . 0 0 "[ . 1 . 2]" 1
655 1 61 VAL MG2 1 74 ARG H 5.500 . 5.500 4.123 4.077 4.171 . 0 0 "[ . 1 . 2]" 1
656 1 73 LEU HA 1 74 ARG H 3.500 . 3.500 2.540 2.509 2.586 . 0 0 "[ . 1 . 2]" 1
657 1 73 LEU QB 1 74 ARG H 5.500 . 5.500 2.131 2.068 2.178 . 0 0 "[ . 1 . 2]" 1
658 1 73 LEU MD1 1 74 ARG H 5.500 . 5.500 4.589 4.558 4.600 . 0 0 "[ . 1 . 2]" 1
659 1 73 LEU MD2 1 74 ARG H 4.000 . 4.000 3.349 3.338 3.360 . 0 0 "[ . 1 . 2]" 1
660 1 74 ARG H 1 74 ARG QD 5.500 . 5.500 4.333 3.452 4.929 . 0 0 "[ . 1 . 2]" 1
661 1 74 ARG H 1 74 ARG QG 4.000 . 4.000 3.084 1.991 3.507 . 0 0 "[ . 1 . 2]" 1
662 1 58 ILE HB 1 75 ALA MB 5.500 . 5.500 3.913 3.695 4.069 . 0 0 "[ . 1 . 2]" 1
663 1 58 ILE MG 1 75 ALA MB 4.000 . 4.000 2.756 2.680 2.781 . 0 0 "[ . 1 . 2]" 1
664 1 61 VAL MG1 1 75 ALA H 5.500 . 5.500 3.999 3.821 4.133 . 0 0 "[ . 1 . 2]" 1
665 1 61 VAL MG2 1 75 ALA H 4.000 . 4.000 2.193 2.129 2.262 . 0 0 "[ . 1 . 2]" 1
666 1 74 ARG HA 1 75 ALA H 3.500 . 3.500 2.368 2.317 2.420 . 0 0 "[ . 1 . 2]" 1
667 1 74 ARG QB 1 75 ALA H 4.000 . 4.000 2.447 2.331 2.568 . 0 0 "[ . 1 . 2]" 1
668 1 74 ARG QG 1 75 ALA H 5.500 . 5.500 3.870 3.479 4.344 . 0 0 "[ . 1 . 2]" 1
669 1 75 ALA H 1 76 GLY H 5.000 . 5.000 4.514 4.486 4.532 . 0 0 "[ . 1 . 2]" 1
670 1 58 ILE HB 1 76 GLY H 3.500 . 3.500 2.296 2.030 2.469 . 0 0 "[ . 1 . 2]" 1
671 1 58 ILE MD 1 76 GLY H 5.500 . 5.500 3.954 3.762 4.102 . 0 0 "[ . 1 . 2]" 1
672 1 58 ILE QG 1 76 GLY H 5.500 . 5.500 4.213 3.869 4.417 . 0 0 "[ . 1 . 2]" 1
673 1 58 ILE MG 1 76 GLY H 4.000 . 4.000 3.343 3.337 3.352 . 0 0 "[ . 1 . 2]" 1
674 1 75 ALA HA 1 76 GLY H 2.800 . 2.800 2.141 2.127 2.150 . 0 0 "[ . 1 . 2]" 1
675 1 75 ALA MB 1 76 GLY H 4.000 . 4.000 3.181 3.135 3.250 . 0 0 "[ . 1 . 2]" 1
676 1 58 ILE HB 1 77 ASP H 3.500 . 3.500 2.823 2.769 2.906 . 0 0 "[ . 1 . 2]" 1
677 1 58 ILE MD 1 77 ASP H 4.000 . 4.000 3.185 2.975 3.312 . 0 0 "[ . 1 . 2]" 1
678 1 58 ILE QG 1 77 ASP H 5.500 . 5.500 4.296 4.017 4.520 . 0 0 "[ . 1 . 2]" 1
679 1 58 ILE MG 1 77 ASP H 5.500 . 5.500 4.180 4.125 4.250 . 0 0 "[ . 1 . 2]" 1
680 1 58 ILE H 1 77 ASP H 3.500 . 3.500 3.481 3.430 3.511 0.011 12 0 "[ . 1 . 2]" 1
681 1 74 ARG QB 1 77 ASP H 5.500 . 5.500 4.615 4.485 4.921 . 0 0 "[ . 1 . 2]" 1
682 1 75 ALA HA 1 77 ASP H 3.500 . 3.500 3.504 3.483 3.516 0.016 4 0 "[ . 1 . 2]" 1
683 1 75 ALA MB 1 77 ASP H 5.500 . 5.500 4.600 4.592 4.608 . 0 0 "[ . 1 . 2]" 1
684 1 76 GLY QA 1 77 ASP H 4.000 . 4.000 2.848 2.832 2.864 . 0 0 "[ . 1 . 2]" 1
685 1 76 GLY H 1 77 ASP H 2.800 . 2.800 2.325 2.254 2.382 . 0 0 "[ . 1 . 2]" 1
686 1 57 PHE QE 1 78 GLU H 6.000 . 6.000 4.437 4.010 5.011 . 0 0 "[ . 1 . 2]" 1
687 1 77 ASP HA 1 78 GLU H 2.800 . 2.800 2.229 2.207 2.271 . 0 0 "[ . 1 . 2]" 1
688 1 77 ASP QB 1 78 GLU H 4.000 . 4.000 3.059 2.834 3.299 . 0 0 "[ . 1 . 2]" 1
689 1 78 GLU H 1 79 VAL H 5.000 . 5.000 4.289 4.202 4.352 . 0 0 "[ . 1 . 2]" 1
690 1 78 GLU H 1 112 VAL HA 6.000 . 6.000 4.717 4.614 4.770 . 0 0 "[ . 1 . 2]" 1
691 1 78 GLU H 1 112 VAL HB 3.500 . 3.500 3.484 3.276 3.508 0.008 19 0 "[ . 1 . 2]" 1
692 1 78 GLU H 1 113 SER H 3.500 . 3.500 3.327 3.186 3.386 . 0 0 "[ . 1 . 2]" 1
693 1 78 GLU H 1 114 ARG HA 5.000 . 5.000 4.970 4.819 5.010 0.010 2 0 "[ . 1 . 2]" 1
694 1 43 VAL MG2 1 79 VAL H 5.500 . 5.500 4.335 4.131 4.508 . 0 0 "[ . 1 . 2]" 1
695 1 56 ALA MB 1 79 VAL H 5.500 . 5.500 3.168 2.884 3.395 . 0 0 "[ . 1 . 2]" 1
696 1 57 PHE HA 1 79 VAL H 5.000 . 5.000 3.244 3.032 3.445 . 0 0 "[ . 1 . 2]" 1
697 1 57 PHE QD 1 79 VAL H 6.000 . 6.000 4.918 4.753 5.135 . 0 0 "[ . 1 . 2]" 1
698 1 57 PHE QE 1 79 VAL H 7.000 . 7.000 5.640 5.475 5.888 . 0 0 "[ . 1 . 2]" 1
699 1 78 GLU H 1 79 VAL MG2 5.500 . 5.500 4.554 4.493 4.581 . 0 0 "[ . 1 . 2]" 1
700 1 78 GLU HA 1 79 VAL H 2.800 . 2.800 2.152 2.140 2.171 . 0 0 "[ . 1 . 2]" 1
701 1 78 GLU QG 1 79 VAL H 4.000 . 4.000 3.167 2.989 3.341 . 0 0 "[ . 1 . 2]" 1
702 1 79 VAL H 1 79 VAL MG2 4.000 . 4.000 2.609 2.534 2.673 . 0 0 "[ . 1 . 2]" 1
703 1 79 VAL MG2 1 80 LEU H 5.500 . 5.500 4.125 4.072 4.175 . 0 0 "[ . 1 . 2]" 1
704 1 79 VAL H 1 80 LEU H 5.000 . 5.000 4.233 4.164 4.333 . 0 0 "[ . 1 . 2]" 1
705 1 79 VAL MG1 1 81 GLU HA 5.500 . 5.500 3.811 3.757 3.859 . 0 0 "[ . 1 . 2]" 1
706 1 79 VAL MG1 1 82 TRP QB 6.000 . 6.000 2.847 2.725 2.963 . 0 0 "[ . 1 . 2]" 1
707 1 79 VAL MG1 1 82 TRP HE3 4.000 . 4.000 2.298 2.197 2.387 . 0 0 "[ . 1 . 2]" 1
708 1 79 VAL MG1 1 82 TRP HZ3 5.500 . 5.500 3.549 3.448 3.652 . 0 0 "[ . 1 . 2]" 1
709 1 79 VAL MG2 1 82 TRP HE3 5.500 . 5.500 3.543 3.319 3.707 . 0 0 "[ . 1 . 2]" 1
710 1 79 VAL MG1 1 110 ILE MD 6.000 . 6.000 3.468 3.328 3.578 . 0 0 "[ . 1 . 2]" 1
711 1 79 VAL MG1 1 111 ILE H 5.500 . 5.500 2.474 2.427 2.542 . 0 0 "[ . 1 . 2]" 1
712 1 79 VAL MG2 1 111 ILE HA 5.500 . 5.500 4.599 4.594 4.608 . 0 0 "[ . 1 . 2]" 1
713 1 79 VAL MG2 1 112 VAL HA 5.500 . 5.500 3.490 3.455 3.542 . 0 0 "[ . 1 . 2]" 1
714 1 79 VAL H 1 112 VAL MG1 5.500 . 5.500 3.303 3.229 3.452 . 0 0 "[ . 1 . 2]" 1
715 1 79 VAL HA 1 80 LEU H 2.800 . 2.800 2.174 2.149 2.196 . 0 0 "[ . 1 . 2]" 1
716 1 79 VAL HB 1 80 LEU H 5.000 . 5.000 4.472 4.418 4.495 . 0 0 "[ . 1 . 2]" 1
717 1 79 VAL MG1 1 80 LEU H 4.000 . 4.000 3.108 2.951 3.186 . 0 0 "[ . 1 . 2]" 1
718 1 80 LEU H 1 80 LEU MD1 4.000 . 4.000 2.799 2.403 3.377 . 0 0 "[ . 1 . 2]" 1
719 1 80 LEU H 1 80 LEU MD2 4.000 . 4.000 2.130 1.889 3.050 . 0 0 "[ . 1 . 2]" 1
720 1 80 LEU H 1 80 LEU HG 4.000 . 4.000 3.454 1.802 3.904 . 0 0 "[ . 1 . 2]" 1
721 1 80 LEU MD2 1 81 GLU H 5.500 . 5.500 4.047 3.721 4.615 . 0 0 "[ . 1 . 2]" 1
722 1 80 LEU H 1 81 GLU QB 5.500 . 5.500 4.332 4.157 4.431 . 0 0 "[ . 1 . 2]" 1
723 1 80 LEU H 1 81 GLU H 2.800 . 2.800 2.532 2.380 2.576 . 0 0 "[ . 1 . 2]" 1
724 1 80 LEU H 1 111 ILE HB 5.000 . 5.000 4.042 3.917 4.191 . 0 0 "[ . 1 . 2]" 1
725 1 80 LEU MD1 1 112 VAL HA 5.500 . 5.500 4.117 3.593 4.276 . 0 0 "[ . 1 . 2]" 1
726 1 80 LEU MD2 1 112 VAL HA 5.500 . 5.500 2.874 2.233 4.540 . 0 0 "[ . 1 . 2]" 1
727 1 80 LEU H 1 112 VAL HA 3.500 . 3.500 2.622 2.587 2.662 . 0 0 "[ . 1 . 2]" 1
728 1 80 LEU H 1 112 VAL HB 5.000 . 5.000 5.011 5.001 5.017 0.017 13 0 "[ . 1 . 2]" 1
729 1 80 LEU H 1 112 VAL MG1 5.500 . 5.500 3.743 3.689 3.839 . 0 0 "[ . 1 . 2]" 1
730 1 80 LEU MD2 1 113 SER QB 4.500 . 4.500 2.201 1.774 3.342 0.026 15 0 "[ . 1 . 2]" 1
731 1 79 VAL MG1 1 81 GLU QB 4.500 . 4.500 3.366 3.360 3.372 . 0 0 "[ . 1 . 2]" 1
732 1 79 VAL HA 1 81 GLU H 3.500 . 3.500 3.269 3.228 3.303 . 0 0 "[ . 1 . 2]" 1
733 1 79 VAL MG1 1 81 GLU H 4.000 . 4.000 1.907 1.875 1.930 . 0 0 "[ . 1 . 2]" 1
734 1 80 LEU H 1 81 GLU QG 5.500 . 5.500 4.335 4.135 4.837 . 0 0 "[ . 1 . 2]" 1
735 1 80 LEU HA 1 81 GLU H 5.000 . 5.000 3.267 3.237 3.294 . 0 0 "[ . 1 . 2]" 1
736 1 80 LEU QB 1 81 GLU H 4.000 . 4.000 3.439 3.385 3.480 . 0 0 "[ . 1 . 2]" 1
737 1 81 GLU H 1 81 GLU QG 4.000 . 4.000 3.322 3.218 3.543 . 0 0 "[ . 1 . 2]" 1
738 1 81 GLU H 1 82 TRP H 5.000 . 5.000 4.196 4.165 4.220 . 0 0 "[ . 1 . 2]" 1
739 1 81 GLU QB 1 85 LYS H 5.500 . 5.500 3.793 3.544 4.053 . 0 0 "[ . 1 . 2]" 1
740 1 81 GLU HA 1 86 PRO HA 5.000 . 5.000 3.266 3.082 3.599 . 0 0 "[ . 1 . 2]" 1
741 1 81 GLU QG 1 87 LEU MD1 6.000 . 6.000 4.457 4.453 4.461 . 0 0 "[ . 1 . 2]" 1
742 1 81 GLU H 1 110 ILE HA 5.000 . 5.000 4.522 4.452 4.611 . 0 0 "[ . 1 . 2]" 1
743 1 81 GLU H 1 111 ILE HB 3.500 . 3.500 3.512 3.489 3.527 0.027 2 0 "[ . 1 . 2]" 1
744 1 81 GLU H 1 111 ILE H 3.500 . 3.500 3.008 2.954 3.057 . 0 0 "[ . 1 . 2]" 1
745 1 81 GLU H 1 112 VAL HA 5.000 . 5.000 4.399 4.327 4.471 . 0 0 "[ . 1 . 2]" 1
746 1 81 GLU H 1 112 VAL MG1 5.500 . 5.500 4.578 4.534 4.596 . 0 0 "[ . 1 . 2]" 1
747 1 39 LEU MD2 1 82 TRP HZ2 5.500 . 5.500 3.374 3.059 3.620 . 0 0 "[ . 1 . 2]" 1
748 1 79 VAL MG1 1 82 TRP H 5.500 . 5.500 3.956 3.894 4.032 . 0 0 "[ . 1 . 2]" 1
749 1 81 GLU HA 1 82 TRP H 2.800 . 2.800 2.149 2.142 2.155 . 0 0 "[ . 1 . 2]" 1
750 1 81 GLU QB 1 82 TRP H 5.500 . 5.500 3.208 3.164 3.234 . 0 0 "[ . 1 . 2]" 1
751 1 81 GLU QG 1 82 TRP H 5.500 . 5.500 4.124 3.909 4.394 . 0 0 "[ . 1 . 2]" 1
752 1 82 TRP H 1 82 TRP HD1 5.000 . 5.000 5.000 4.961 5.022 0.022 5 0 "[ . 1 . 2]" 1
753 1 82 TRP H 1 82 TRP HE3 5.500 . 5.500 5.160 5.120 5.211 . 0 0 "[ . 1 . 2]" 1
754 1 82 TRP HD1 1 83 ASN QB 5.500 . 5.500 2.287 2.181 2.372 . 0 0 "[ . 1 . 2]" 1
755 1 82 TRP H 1 83 ASN H 5.000 . 5.000 4.131 4.060 4.300 . 0 0 "[ . 1 . 2]" 1
756 1 82 TRP H 1 84 GLY H 5.000 . 5.000 4.133 4.029 4.262 . 0 0 "[ . 1 . 2]" 1
757 1 82 TRP H 1 85 LYS QB 5.500 . 5.500 3.907 3.786 4.365 . 0 0 "[ . 1 . 2]" 1
758 1 82 TRP H 1 85 LYS H 3.500 . 3.500 2.879 2.785 2.974 . 0 0 "[ . 1 . 2]" 1
759 1 82 TRP H 1 86 PRO HA 5.000 . 5.000 4.501 4.282 4.649 . 0 0 "[ . 1 . 2]" 1
760 1 82 TRP QB 1 87 LEU MD2 6.000 . 6.000 2.175 1.973 2.345 . 0 0 "[ . 1 . 2]" 1
761 1 82 TRP H 1 87 LEU MD2 4.000 . 4.000 3.008 2.821 3.210 . 0 0 "[ . 1 . 2]" 1
762 1 82 TRP H 1 98 ILE MG 5.500 . 5.500 3.738 3.427 4.216 . 0 0 "[ . 1 . 2]" 1
763 1 82 TRP HD1 1 99 ILE MD 5.500 . 5.500 4.360 3.531 4.590 . 0 0 "[ . 1 . 2]" 1
764 1 82 TRP HE1 1 99 ILE QG 5.500 . 5.500 3.069 2.565 4.516 . 0 0 "[ . 1 . 2]" 1
765 1 82 TRP HE1 1 99 ILE MG 5.000 . 5.000 2.220 1.940 3.219 . 0 0 "[ . 1 . 2]" 1
766 1 82 TRP HD1 1 102 SER HA 6.000 . 6.000 5.600 5.096 5.942 . 0 0 "[ . 1 . 2]" 1
767 1 82 TRP HD1 1 108 VAL MG2 5.500 . 5.500 4.464 4.161 4.588 . 0 0 "[ . 1 . 2]" 1
768 1 82 TRP HE1 1 108 VAL MG1 4.000 . 4.000 3.326 3.236 3.348 . 0 0 "[ . 1 . 2]" 1
769 1 82 TRP HH2 2 9 ILE HB 5.000 . 5.000 5.037 5.020 5.062 0.062 19 0 "[ . 1 . 2]" 1
770 1 82 TRP HZ2 2 9 ILE HB 5.000 . 5.000 4.948 4.778 5.055 0.055 9 0 "[ . 1 . 2]" 1
771 1 82 TRP HH2 2 11 ALA MB 4.000 . 4.000 1.983 1.870 2.255 . 0 0 "[ . 1 . 2]" 1
772 1 82 TRP HZ2 2 11 ALA MB 4.000 . 4.000 1.983 1.811 2.294 . 0 0 "[ . 1 . 2]" 1
773 1 82 TRP HA 1 83 ASN H 2.800 . 2.800 2.154 2.148 2.175 . 0 0 "[ . 1 . 2]" 1
774 1 82 TRP QB 1 83 ASN H 5.500 . 5.500 3.850 3.713 3.891 . 0 0 "[ . 1 . 2]" 1
775 1 82 TRP HD1 1 83 ASN H 5.000 . 5.000 3.756 3.394 3.871 . 0 0 "[ . 1 . 2]" 1
776 1 83 ASN H 1 84 GLY H 3.500 . 3.500 2.595 2.550 2.726 . 0 0 "[ . 1 . 2]" 1
777 1 83 ASN QD 1 102 SER HA 4.000 . 4.000 3.481 3.035 3.564 . 0 0 "[ . 1 . 2]" 1
778 1 83 ASN QD 1 105 GLU QB 6.000 . 6.000 2.865 2.582 3.365 . 0 0 "[ . 1 . 2]" 1
779 1 83 ASN QD 1 108 VAL HA 4.000 . 4.000 2.356 2.114 2.689 . 0 0 "[ . 1 . 2]" 1
780 1 83 ASN QD 1 108 VAL MG1 5.000 . 5.000 2.722 2.202 3.301 . 0 0 "[ . 1 . 2]" 1
781 1 83 ASN QD 1 108 VAL MG2 4.500 . 4.500 2.489 1.948 3.336 . 0 0 "[ . 1 . 2]" 1
782 1 83 ASN H 1 108 VAL MG1 4.000 . 4.000 2.554 2.108 3.017 . 0 0 "[ . 1 . 2]" 1
783 1 83 ASN H 1 109 GLU QB 5.500 . 5.500 3.941 3.555 4.542 . 0 0 "[ . 1 . 2]" 1
784 1 83 ASN H 1 109 GLU H 3.500 . 3.500 2.875 2.760 3.015 . 0 0 "[ . 1 . 2]" 1
785 1 83 ASN H 1 110 ILE HA 5.000 . 5.000 3.255 3.101 3.591 . 0 0 "[ . 1 . 2]" 1
786 1 83 ASN H 1 110 ILE QG 5.500 . 5.500 4.521 4.460 4.595 . 0 0 "[ . 1 . 2]" 1
787 1 83 ASN H 1 110 ILE MG 5.500 . 5.500 2.573 2.488 2.628 . 0 0 "[ . 1 . 2]" 1
788 1 82 TRP HA 1 84 GLY H 5.000 . 5.000 3.841 3.682 3.957 . 0 0 "[ . 1 . 2]" 1
789 1 83 ASN HA 1 84 GLY H 2.800 . 2.800 2.813 2.767 2.828 0.028 4 0 "[ . 1 . 2]" 1
790 1 83 ASN QB 1 84 GLY H 5.500 . 5.500 3.878 3.843 3.924 . 0 0 "[ . 1 . 2]" 1
791 1 84 GLY H 1 85 LYS H 3.500 . 3.500 2.669 2.628 2.737 . 0 0 "[ . 1 . 2]" 1
792 1 84 GLY H 1 109 GLU HA 6.000 . 6.000 4.988 4.787 5.205 . 0 0 "[ . 1 . 2]" 1
793 1 84 GLY H 1 109 GLU QB 4.000 . 4.000 2.874 2.577 3.596 . 0 0 "[ . 1 . 2]" 1
794 1 81 GLU HA 1 85 LYS H 5.000 . 5.000 4.153 4.038 4.337 . 0 0 "[ . 1 . 2]" 1
795 1 82 TRP HA 1 85 LYS H 5.000 . 5.000 4.372 4.333 4.418 . 0 0 "[ . 1 . 2]" 1
796 1 82 TRP QB 1 85 LYS H 5.500 . 5.500 4.286 4.209 4.376 . 0 0 "[ . 1 . 2]" 1
797 1 83 ASN HA 1 85 LYS H 5.000 . 5.000 4.404 4.319 4.498 . 0 0 "[ . 1 . 2]" 1
798 1 83 ASN QB 1 85 LYS H 5.500 . 5.500 3.607 3.493 3.712 . 0 0 "[ . 1 . 2]" 1
799 1 83 ASN H 1 85 LYS H 5.000 . 5.000 4.034 3.987 4.217 . 0 0 "[ . 1 . 2]" 1
800 1 84 GLY QA 1 85 LYS H 3.500 . 3.500 2.899 2.862 2.920 . 0 0 "[ . 1 . 2]" 1
801 1 85 LYS HA 1 85 LYS QE 5.500 . 5.500 3.848 3.066 4.522 . 0 0 "[ . 1 . 2]" 1
802 1 85 LYS H 1 85 LYS QE 5.500 . 5.500 4.872 4.804 4.917 . 0 0 "[ . 1 . 2]" 1
803 1 85 LYS H 1 85 LYS QG 4.000 . 4.000 3.286 2.813 3.405 . 0 0 "[ . 1 . 2]" 1
804 1 85 LYS H 1 87 LEU MD2 5.500 . 5.500 4.607 4.596 4.620 . 0 0 "[ . 1 . 2]" 1
805 1 85 LYS H 1 98 ILE MG 5.500 . 5.500 4.230 4.002 4.614 . 0 0 "[ . 1 . 2]" 1
806 1 85 LYS H 1 86 PRO QD 5.500 . 5.500 4.415 4.405 4.426 . 0 0 "[ . 1 . 2]" 1
807 1 81 GLU HA 1 87 LEU MD1 5.500 . 5.500 2.975 2.852 3.098 . 0 0 "[ . 1 . 2]" 1
808 1 81 GLU H 1 87 LEU MD1 5.500 . 5.500 2.805 2.668 3.128 . 0 0 "[ . 1 . 2]" 1
809 1 81 GLU HA 1 87 LEU MD2 5.500 . 5.500 3.932 3.783 4.232 . 0 0 "[ . 1 . 2]" 1
810 1 81 GLU HA 1 87 LEU H 5.000 . 5.000 2.957 2.684 3.165 . 0 0 "[ . 1 . 2]" 1
811 1 82 TRP HA 1 87 LEU MD1 5.500 . 5.500 3.677 3.463 3.869 . 0 0 "[ . 1 . 2]" 1
812 1 82 TRP QB 1 87 LEU MD1 4.500 . 4.500 1.895 1.818 2.045 . 0 0 "[ . 1 . 2]" 1
813 1 82 TRP HE3 1 87 LEU MD1 5.500 . 5.500 3.001 2.740 3.235 . 0 0 "[ . 1 . 2]" 1
814 1 82 TRP H 1 87 LEU MD1 5.500 . 5.500 2.922 2.662 3.158 . 0 0 "[ . 1 . 2]" 1
815 1 82 TRP H 1 87 LEU H 5.000 . 5.000 4.145 3.955 4.285 . 0 0 "[ . 1 . 2]" 1
816 1 85 LYS QG 1 87 LEU H 4.000 . 4.000 3.689 3.670 3.702 . 0 0 "[ . 1 . 2]" 1
817 1 86 PRO HA 1 87 LEU H 3.500 . 3.500 2.134 2.129 2.143 . 0 0 "[ . 1 . 2]" 1
818 1 86 PRO QB 1 87 LEU H 5.500 . 5.500 3.481 3.475 3.493 . 0 0 "[ . 1 . 2]" 1
819 1 87 LEU H 1 87 LEU MD1 5.500 . 5.500 3.624 3.400 3.743 . 0 0 "[ . 1 . 2]" 1
820 1 87 LEU H 1 87 LEU MD2 5.500 . 5.500 3.487 3.354 3.603 . 0 0 "[ . 1 . 2]" 1
821 1 87 LEU H 1 88 PRO QD 3.500 . 3.500 1.852 1.720 1.889 0.080 11 0 "[ . 1 . 2]" 1
822 1 87 LEU MD2 1 95 VAL HA 4.000 . 4.000 2.990 2.831 3.181 . 0 0 "[ . 1 . 2]" 1
823 1 87 LEU MD2 1 95 VAL H 5.500 . 5.500 4.613 4.600 4.632 . 0 0 "[ . 1 . 2]" 1
824 1 87 LEU MD1 1 99 ILE MD 6.000 . 6.000 4.020 3.638 4.168 . 0 0 "[ . 1 . 2]" 1
825 1 87 LEU MD1 1 88 PRO QD 6.000 . 6.000 3.774 3.432 4.125 . 0 0 "[ . 1 . 2]" 1
826 1 53 ARG QB 1 89 GLY H 5.500 . 5.500 3.104 2.443 3.950 . 0 0 "[ . 1 . 2]" 1
827 1 54 LEU QB 1 89 GLY QA 6.000 . 6.000 3.209 2.865 3.609 . 0 0 "[ . 1 . 2]" 1
828 1 55 GLY QA 1 89 GLY H 5.500 . 5.500 3.947 3.597 4.406 . 0 0 "[ . 1 . 2]" 1
829 1 88 PRO HA 1 89 GLY H 3.500 . 3.500 2.155 2.137 2.175 . 0 0 "[ . 1 . 2]" 1
830 1 88 PRO QB 1 89 GLY H 5.500 . 5.500 3.557 3.475 3.616 . 0 0 "[ . 1 . 2]" 1
831 1 89 GLY H 1 90 ALA H 3.500 . 3.500 2.406 2.259 2.553 . 0 0 "[ . 1 . 2]" 1
832 1 87 LEU HA 1 90 ALA H 4.000 . 4.000 3.994 3.906 4.026 0.026 9 0 "[ . 1 . 2]" 1
833 1 89 GLY QA 1 90 ALA H 4.000 . 4.000 2.908 2.889 2.923 . 0 0 "[ . 1 . 2]" 1
834 1 90 ALA MB 1 91 THR H 4.000 . 4.000 3.017 2.920 3.125 . 0 0 "[ . 1 . 2]" 1
835 1 90 ALA H 1 91 THR H 5.000 . 5.000 4.526 4.482 4.557 . 0 0 "[ . 1 . 2]" 1
836 1 90 ALA MB 1 94 GLU HA 5.500 . 5.500 4.049 3.911 4.302 . 0 0 "[ . 1 . 2]" 1
837 1 90 ALA MB 1 94 GLU QB 4.500 . 4.500 1.746 1.668 1.829 0.132 16 0 "[ . 1 . 2]" 1
838 1 90 ALA MB 1 95 VAL MG2 4.500 . 4.500 2.370 2.193 2.590 . 0 0 "[ . 1 . 2]" 1
839 1 90 ALA H 1 95 VAL MG2 5.500 . 5.500 4.562 4.384 4.606 . 0 0 "[ . 1 . 2]" 1
840 1 46 GLY QA 1 91 THR HA 4.000 . 4.000 2.041 1.824 2.320 . 0 0 "[ . 1 . 2]" 1
841 1 54 LEU MD1 1 91 THR MG 4.500 . 4.500 3.138 3.129 3.150 . 0 0 "[ . 1 . 2]" 1
842 1 90 ALA HA 1 91 THR H 2.800 . 2.800 2.184 2.151 2.216 . 0 0 "[ . 1 . 2]" 1
843 1 91 THR H 1 91 THR MG 4.000 . 4.000 1.986 1.923 2.040 . 0 0 "[ . 1 . 2]" 1
844 1 91 THR H 1 92 ASN H 5.000 . 5.000 4.486 4.426 4.512 . 0 0 "[ . 1 . 2]" 1
845 1 91 THR MG 1 94 GLU QB 4.500 . 4.500 2.590 2.224 3.188 . 0 0 "[ . 1 . 2]" 1
846 1 91 THR MG 1 94 GLU H 5.500 . 5.500 2.072 1.950 2.264 . 0 0 "[ . 1 . 2]" 1
847 1 91 THR H 1 94 GLU HA 5.000 . 5.000 4.799 4.624 4.963 . 0 0 "[ . 1 . 2]" 1
848 1 91 THR H 1 94 GLU QB 4.000 . 4.000 2.118 1.965 2.483 . 0 0 "[ . 1 . 2]" 1
849 1 91 THR H 1 94 GLU H 5.000 . 5.000 3.340 3.244 3.486 . 0 0 "[ . 1 . 2]" 1
850 1 91 THR H 1 95 VAL MG2 5.500 . 5.500 4.458 4.308 4.584 . 0 0 "[ . 1 . 2]" 1
851 1 91 THR H 1 95 VAL H 5.000 . 5.000 4.209 4.048 4.418 . 0 0 "[ . 1 . 2]" 1
852 1 45 GLY QA 1 92 ASN HA 4.000 . 4.000 2.484 1.974 2.923 . 0 0 "[ . 1 . 2]" 1
853 1 46 GLY QA 1 92 ASN QB 4.500 . 4.500 2.731 2.260 3.524 . 0 0 "[ . 1 . 2]" 1
854 1 46 GLY QA 1 92 ASN H 4.000 . 4.000 2.034 1.931 2.248 . 0 0 "[ . 1 . 2]" 1
855 1 54 LEU MD1 1 92 ASN H 5.500 . 5.500 3.372 3.292 3.493 . 0 0 "[ . 1 . 2]" 1
856 1 91 THR HA 1 92 ASN H 3.500 . 3.500 2.624 2.576 2.718 . 0 0 "[ . 1 . 2]" 1
857 1 91 THR HB 1 92 ASN H 3.500 . 3.500 3.454 3.399 3.497 . 0 0 "[ . 1 . 2]" 1
858 1 91 THR MG 1 92 ASN H 4.000 . 4.000 3.275 2.962 3.344 . 0 0 "[ . 1 . 2]" 1
859 1 92 ASN H 1 93 GLU H 3.500 . 3.500 2.923 2.808 3.117 . 0 0 "[ . 1 . 2]" 1
860 1 92 ASN H 1 94 GLU H 5.000 . 5.000 4.192 4.069 4.302 . 0 0 "[ . 1 . 2]" 1
861 1 92 ASN HA 1 95 VAL HB 5.000 . 5.000 3.070 2.902 3.315 . 0 0 "[ . 1 . 2]" 1
862 1 91 THR HA 1 93 GLU H 5.000 . 5.000 4.740 4.583 5.005 0.005 19 0 "[ . 1 . 2]" 1
863 1 91 THR MG 1 93 GLU H 5.500 . 5.500 2.660 2.389 2.945 . 0 0 "[ . 1 . 2]" 1
864 1 92 ASN HA 1 93 GLU H 5.000 . 5.000 3.558 3.540 3.573 . 0 0 "[ . 1 . 2]" 1
865 1 92 ASN QB 1 93 GLU H 4.000 . 4.000 3.036 2.153 3.370 . 0 0 "[ . 1 . 2]" 1
866 1 93 GLU H 1 93 GLU QG 4.000 . 4.000 2.703 1.960 3.493 . 0 0 "[ . 1 . 2]" 1
867 1 93 GLU QB 1 94 GLU H 5.500 . 5.500 3.130 2.772 3.529 . 0 0 "[ . 1 . 2]" 1
868 1 93 GLU QG 1 94 GLU H 5.500 . 5.500 3.273 1.947 4.598 . 0 0 "[ . 1 . 2]" 1
869 1 93 GLU H 1 94 GLU H 2.800 . 2.800 2.665 2.556 2.810 0.010 19 0 "[ . 1 . 2]" 1
870 1 93 GLU QG 1 97 ASN QD 6.000 . 6.000 4.367 3.613 4.764 . 0 0 "[ . 1 . 2]" 1
871 1 90 ALA HA 1 94 GLU H 5.000 . 5.000 5.002 4.936 5.034 0.034 19 0 "[ . 1 . 2]" 1
872 1 90 ALA MB 1 94 GLU H 5.500 . 5.500 4.121 3.973 4.309 . 0 0 "[ . 1 . 2]" 1
873 1 91 THR HA 1 94 GLU H 5.000 . 5.000 4.571 4.467 4.675 . 0 0 "[ . 1 . 2]" 1
874 1 91 THR HB 1 94 GLU H 5.000 . 5.000 4.783 4.651 4.974 . 0 0 "[ . 1 . 2]" 1
875 1 93 GLU HA 1 94 GLU H 3.500 . 3.500 3.516 3.489 3.529 0.029 13 0 "[ . 1 . 2]" 1
876 1 94 GLU QG 1 95 VAL H 5.500 . 5.500 4.021 3.575 4.243 . 0 0 "[ . 1 . 2]" 1
877 1 94 GLU H 1 95 VAL MG2 5.500 . 5.500 4.324 4.225 4.419 . 0 0 "[ . 1 . 2]" 1
878 1 94 GLU H 1 95 VAL H 2.800 . 2.800 2.817 2.806 2.835 0.035 19 0 "[ . 1 . 2]" 1
879 1 94 GLU H 1 96 TYR H 5.000 . 5.000 3.955 3.838 4.121 . 0 0 "[ . 1 . 2]" 1
880 1 94 GLU H 1 97 ASN H 5.000 . 5.000 4.992 4.840 5.019 0.019 15 0 "[ . 1 . 2]" 1
881 1 46 GLY H 1 95 VAL MG2 5.500 . 5.500 2.915 2.102 3.383 . 0 0 "[ . 1 . 2]" 1
882 1 56 ALA HA 1 95 VAL MG2 5.500 . 5.500 3.987 3.712 4.470 . 0 0 "[ . 1 . 2]" 1
883 1 87 LEU HA 1 95 VAL MG2 5.500 . 5.500 4.006 3.686 4.238 . 0 0 "[ . 1 . 2]" 1
884 1 87 LEU MD2 1 95 VAL MG2 4.500 . 4.500 2.425 2.025 2.735 . 0 0 "[ . 1 . 2]" 1
885 1 90 ALA MB 1 95 VAL H 4.000 . 4.000 2.915 2.732 3.040 . 0 0 "[ . 1 . 2]" 1
886 1 92 ASN HA 1 95 VAL MG1 5.500 . 5.500 4.359 4.201 4.580 . 0 0 "[ . 1 . 2]" 1
887 1 92 ASN HA 1 95 VAL MG2 5.500 . 5.500 3.431 3.136 3.858 . 0 0 "[ . 1 . 2]" 1
888 1 92 ASN HA 1 95 VAL H 5.000 . 5.000 3.866 3.767 3.982 . 0 0 "[ . 1 . 2]" 1
889 1 93 GLU HA 1 95 VAL H 5.000 . 5.000 4.928 4.872 4.975 . 0 0 "[ . 1 . 2]" 1
890 1 94 GLU QB 1 95 VAL MG2 6.000 . 6.000 3.031 2.859 3.213 . 0 0 "[ . 1 . 2]" 1
891 1 94 GLU HA 1 95 VAL H 5.000 . 5.000 3.561 3.550 3.570 . 0 0 "[ . 1 . 2]" 1
892 1 94 GLU QB 1 95 VAL H 4.000 . 4.000 2.227 2.079 2.361 . 0 0 "[ . 1 . 2]" 1
893 1 95 VAL H 1 95 VAL MG2 4.000 . 4.000 2.071 1.967 2.232 . 0 0 "[ . 1 . 2]" 1
894 1 95 VAL MG1 1 96 TYR HA 5.500 . 5.500 3.388 3.358 3.451 . 0 0 "[ . 1 . 2]" 1
895 1 95 VAL MG1 1 96 TYR QD 4.500 . 4.500 3.276 2.970 3.356 . 0 0 "[ . 1 . 2]" 1
896 1 95 VAL MG1 1 96 TYR H 4.000 . 4.000 3.348 3.251 3.361 . 0 0 "[ . 1 . 2]" 1
897 1 95 VAL H 1 96 TYR QB 5.500 . 5.500 4.669 4.487 4.823 . 0 0 "[ . 1 . 2]" 1
898 1 95 VAL H 1 96 TYR QD 6.000 . 6.000 4.804 4.413 5.189 . 0 0 "[ . 1 . 2]" 1
899 1 95 VAL H 1 98 ILE MD 4.000 . 4.000 3.334 3.268 3.353 . 0 0 "[ . 1 . 2]" 1
900 1 95 VAL MG1 1 99 ILE MD 6.000 . 6.000 2.018 1.679 2.292 0.121 10 0 "[ . 1 . 2]" 1
901 1 95 VAL MG1 1 99 ILE QG 6.000 . 6.000 2.038 1.781 3.386 0.019 11 0 "[ . 1 . 2]" 1
902 1 95 VAL MG2 1 99 ILE MD 7.000 . 7.000 4.053 3.666 4.360 . 0 0 "[ . 1 . 2]" 1
903 1 44 VAL HA 1 96 TYR QE 6.000 . 6.000 4.456 4.256 4.729 . 0 0 "[ . 1 . 2]" 1
904 1 44 VAL MG2 1 96 TYR QE 6.500 . 6.500 4.803 4.409 4.845 . 0 0 "[ . 1 . 2]" 1
905 1 92 ASN QB 1 96 TYR QE 6.000 . 6.000 3.344 2.946 4.458 . 0 0 "[ . 1 . 2]" 1
906 1 92 ASN HA 1 96 TYR H 5.000 . 5.000 4.078 3.685 4.309 . 0 0 "[ . 1 . 2]" 1
907 1 93 GLU HA 1 96 TYR QB 4.000 . 4.000 2.479 2.123 2.711 . 0 0 "[ . 1 . 2]" 1
908 1 93 GLU HA 1 96 TYR QD 6.000 . 6.000 2.992 2.039 3.690 . 0 0 "[ . 1 . 2]" 1
909 1 93 GLU QB 1 96 TYR QD 6.500 . 6.500 4.488 3.448 5.170 . 0 0 "[ . 1 . 2]" 1
910 1 93 GLU H 1 96 TYR QD 6.000 . 6.000 4.906 4.444 5.279 . 0 0 "[ . 1 . 2]" 1
911 1 93 GLU HA 1 96 TYR H 3.500 . 3.500 3.551 3.536 3.589 0.089 19 0 "[ . 1 . 2]" 1
912 1 95 VAL HB 1 96 TYR QE 6.500 . 6.500 4.525 3.889 4.856 . 0 0 "[ . 1 . 2]" 1
913 1 95 VAL HA 1 96 TYR H 3.500 . 3.500 3.537 3.524 3.559 0.059 19 0 "[ . 1 . 2]" 1
914 1 95 VAL HB 1 96 TYR H 2.800 . 2.800 2.597 2.512 2.683 . 0 0 "[ . 1 . 2]" 1
915 1 95 VAL MG2 1 96 TYR H 5.500 . 5.500 3.866 3.808 3.922 . 0 0 "[ . 1 . 2]" 1
916 1 95 VAL H 1 96 TYR H 3.500 . 3.500 2.843 2.738 2.957 . 0 0 "[ . 1 . 2]" 1
917 1 96 TYR HA 1 96 TYR QD 4.000 . 4.000 2.178 1.906 2.964 . 0 0 "[ . 1 . 2]" 1
918 1 96 TYR HA 1 96 TYR QE 6.000 . 6.000 4.298 4.243 4.531 . 0 0 "[ . 1 . 2]" 1
919 1 96 TYR H 1 96 TYR QD 4.000 . 4.000 2.518 2.159 2.928 . 0 0 "[ . 1 . 2]" 1
920 1 96 TYR H 1 97 ASN H 3.500 . 3.500 2.887 2.789 2.940 . 0 0 "[ . 1 . 2]" 1
921 1 96 TYR H 1 98 ILE H 5.000 . 5.000 4.175 4.062 4.302 . 0 0 "[ . 1 . 2]" 1
922 1 96 TYR HA 1 99 ILE QG 5.500 . 5.500 4.074 2.920 4.943 . 0 0 "[ . 1 . 2]" 1
923 1 96 TYR QD 1 99 ILE HB 6.000 . 6.000 4.857 4.574 5.320 . 0 0 "[ . 1 . 2]" 1
924 1 96 TYR QD 1 99 ILE MD 6.500 . 6.500 4.513 3.568 4.836 . 0 0 "[ . 1 . 2]" 1
925 1 96 TYR QB 1 100 LEU MD2 6.000 . 6.000 2.531 2.091 2.963 . 0 0 "[ . 1 . 2]" 1
926 1 96 TYR QD 1 100 LEU MD2 6.000 . 6.000 3.776 2.741 4.324 . 0 0 "[ . 1 . 2]" 1
927 1 96 TYR HA 2 9 ILE MD 4.000 . 4.000 2.066 1.793 2.325 0.007 12 0 "[ . 1 . 2]" 1
928 1 96 TYR QB 2 9 ILE MD 5.500 . 5.500 3.676 3.319 3.811 . 0 0 "[ . 1 . 2]" 1
929 1 96 TYR QD 2 9 ILE MD 4.500 . 4.500 1.831 1.614 2.390 0.186 20 0 "[ . 1 . 2]" 1
930 1 96 TYR QE 2 9 ILE MD 4.500 . 4.500 2.558 1.983 3.334 . 0 0 "[ . 1 . 2]" 1
931 1 96 TYR QE 2 9 ILE QG 5.500 . 5.500 3.129 1.980 4.217 . 0 0 "[ . 1 . 2]" 1
932 1 96 TYR H 2 9 ILE MD 4.000 . 4.000 3.313 3.154 3.354 . 0 0 "[ . 1 . 2]" 1
933 1 93 GLU HA 1 97 ASN H 5.000 . 5.000 4.505 4.114 4.639 . 0 0 "[ . 1 . 2]" 1
934 1 94 GLU HA 1 97 ASN QB 5.500 . 5.500 3.290 2.950 3.543 . 0 0 "[ . 1 . 2]" 1
935 1 94 GLU HA 1 97 ASN QD 5.500 . 5.500 3.254 2.281 4.817 . 0 0 "[ . 1 . 2]" 1
936 1 94 GLU HA 1 97 ASN H 4.000 . 4.000 3.664 3.592 3.769 . 0 0 "[ . 1 . 2]" 1
937 1 95 VAL HA 1 97 ASN H 5.000 . 5.000 4.324 4.212 4.496 . 0 0 "[ . 1 . 2]" 1
938 1 96 TYR H 1 97 ASN QB 5.500 . 5.500 4.749 4.601 4.902 . 0 0 "[ . 1 . 2]" 1
939 1 96 TYR HA 1 97 ASN H 3.500 . 3.500 3.536 3.520 3.546 0.046 15 0 "[ . 1 . 2]" 1
940 1 96 TYR QB 1 97 ASN H 4.000 . 4.000 2.510 2.431 2.715 . 0 0 "[ . 1 . 2]" 1
941 1 96 TYR QD 1 97 ASN H 5.500 . 5.500 4.417 4.318 4.496 . 0 0 "[ . 1 . 2]" 1
942 1 97 ASN H 1 97 ASN QD 5.500 . 5.500 2.665 2.040 3.506 . 0 0 "[ . 1 . 2]" 1
943 1 97 ASN H 1 98 ILE MD 5.500 . 5.500 3.524 3.313 3.864 . 0 0 "[ . 1 . 2]" 1
944 1 97 ASN H 1 98 ILE H 2.800 . 2.800 2.598 2.494 2.693 . 0 0 "[ . 1 . 2]" 1
945 1 82 TRP QB 1 98 ILE MG 5.500 . 5.500 2.049 1.810 2.502 . 0 0 "[ . 1 . 2]" 1
946 1 82 TRP HD1 1 98 ILE MG 4.000 . 4.000 2.350 1.945 2.679 . 0 0 "[ . 1 . 2]" 1
947 1 83 ASN QB 1 98 ILE MG 5.500 . 5.500 2.927 2.636 3.241 . 0 0 "[ . 1 . 2]" 1
948 1 85 LYS QE 1 98 ILE MD 5.500 . 5.500 3.334 2.493 4.091 . 0 0 "[ . 1 . 2]" 1
949 1 85 LYS QG 1 98 ILE MG 6.000 . 6.000 1.928 1.835 2.252 . 0 0 "[ . 1 . 2]" 1
950 1 87 LEU HA 1 98 ILE MD 5.500 . 5.500 4.099 3.536 4.611 . 0 0 "[ . 1 . 2]" 1
951 1 94 GLU HA 1 98 ILE MD 5.500 . 5.500 3.337 3.167 3.611 . 0 0 "[ . 1 . 2]" 1
952 1 94 GLU QG 1 98 ILE MD 6.000 . 6.000 3.326 2.065 4.390 . 0 0 "[ . 1 . 2]" 1
953 1 94 GLU HA 1 98 ILE H 5.000 . 5.000 4.610 4.409 4.937 . 0 0 "[ . 1 . 2]" 1
954 1 95 VAL HA 1 98 ILE HB 5.000 . 5.000 2.307 2.036 2.890 . 0 0 "[ . 1 . 2]" 1
955 1 95 VAL HA 1 98 ILE MD 4.000 . 4.000 1.925 1.776 2.233 0.024 10 0 "[ . 1 . 2]" 1
956 1 95 VAL HA 1 98 ILE H 3.500 . 3.500 3.202 3.072 3.338 . 0 0 "[ . 1 . 2]" 1
957 1 95 VAL MG1 1 98 ILE H 5.500 . 5.500 4.318 4.155 4.512 . 0 0 "[ . 1 . 2]" 1
958 1 96 TYR QB 1 98 ILE H 5.500 . 5.500 4.597 4.448 4.714 . 0 0 "[ . 1 . 2]" 1
959 1 97 ASN HA 1 98 ILE HA 5.000 . 5.000 4.803 4.763 4.830 . 0 0 "[ . 1 . 2]" 1
960 1 97 ASN QB 1 98 ILE MD 6.000 . 6.000 2.772 2.476 3.087 . 0 0 "[ . 1 . 2]" 1
961 1 97 ASN HA 1 98 ILE H 5.000 . 5.000 3.529 3.503 3.554 . 0 0 "[ . 1 . 2]" 1
962 1 97 ASN QB 1 98 ILE H 4.000 . 4.000 2.657 2.512 2.794 . 0 0 "[ . 1 . 2]" 1
963 1 98 ILE HA 1 98 ILE MD 4.000 . 4.000 3.176 2.824 3.341 . 0 0 "[ . 1 . 2]" 1
964 1 98 ILE H 1 98 ILE MD 4.000 . 4.000 2.103 1.841 2.478 . 0 0 "[ . 1 . 2]" 1
965 1 98 ILE HB 1 99 ILE QG 5.500 . 5.500 3.290 3.022 3.863 . 0 0 "[ . 1 . 2]" 1
966 1 98 ILE MG 1 99 ILE HA 5.500 . 5.500 2.947 2.828 3.273 . 0 0 "[ . 1 . 2]" 1
967 1 98 ILE MG 1 99 ILE MD 6.000 . 6.000 4.018 3.279 4.171 . 0 0 "[ . 1 . 2]" 1
968 1 98 ILE H 1 99 ILE H 3.500 . 3.500 2.924 2.714 3.012 . 0 0 "[ . 1 . 2]" 1
969 1 98 ILE MG 1 101 GLU QB 6.000 . 6.000 4.200 3.915 4.359 . 0 0 "[ . 1 . 2]" 1
970 1 27 LYS QE 1 99 ILE MG 6.000 . 6.000 4.315 3.782 4.466 . 0 0 "[ . 1 . 2]" 1
971 1 43 VAL HB 1 99 ILE MD 4.000 . 4.000 2.955 2.744 3.189 . 0 0 "[ . 1 . 2]" 1
972 1 82 TRP HD1 1 99 ILE HA 5.000 . 5.000 2.682 2.455 3.141 . 0 0 "[ . 1 . 2]" 1
973 1 82 TRP HE1 1 99 ILE HA 3.500 . 3.500 2.258 2.089 2.486 . 0 0 "[ . 1 . 2]" 1
974 1 82 TRP HH2 1 99 ILE MD 5.500 . 5.500 3.283 3.000 4.332 . 0 0 "[ . 1 . 2]" 1
975 1 82 TRP HZ2 1 99 ILE MD 6.500 . 6.500 3.095 2.823 4.247 . 0 0 "[ . 1 . 2]" 1
976 1 82 TRP HH2 1 99 ILE MG 5.500 . 5.500 3.913 3.550 4.585 . 0 0 "[ . 1 . 2]" 1
977 1 82 TRP HZ2 1 99 ILE MG 4.500 . 4.500 2.339 2.014 3.068 . 0 0 "[ . 1 . 2]" 1
978 1 82 TRP HD1 1 99 ILE H 5.000 . 5.000 4.323 4.049 4.695 . 0 0 "[ . 1 . 2]" 1
979 1 95 VAL HA 1 99 ILE MD 6.500 . 6.500 4.574 3.586 4.896 . 0 0 "[ . 1 . 2]" 1
980 1 95 VAL HA 1 99 ILE H 5.000 . 5.000 3.654 3.410 4.131 . 0 0 "[ . 1 . 2]" 1
981 1 95 VAL MG1 1 99 ILE H 4.000 . 4.000 3.170 3.036 3.362 . 0 0 "[ . 1 . 2]" 1
982 1 96 TYR HA 1 99 ILE HB 3.500 . 3.500 3.439 3.077 3.536 0.036 16 0 "[ . 1 . 2]" 1
983 1 96 TYR HA 1 99 ILE MD 5.500 . 5.500 4.303 3.107 4.583 . 0 0 "[ . 1 . 2]" 1
984 1 96 TYR HA 1 99 ILE H 5.000 . 5.000 4.093 3.744 4.216 . 0 0 "[ . 1 . 2]" 1
985 1 98 ILE HA 1 99 ILE HA 5.000 . 5.000 4.789 4.758 4.821 . 0 0 "[ . 1 . 2]" 1
986 1 98 ILE HA 1 99 ILE H 5.000 . 5.000 3.572 3.560 3.579 . 0 0 "[ . 1 . 2]" 1
987 1 98 ILE HB 1 99 ILE H 3.500 . 3.500 2.284 2.161 2.488 . 0 0 "[ . 1 . 2]" 1
988 1 98 ILE MD 1 99 ILE H 5.500 . 5.500 3.838 3.526 3.999 . 0 0 "[ . 1 . 2]" 1
989 1 98 ILE MG 1 99 ILE H 4.000 . 4.000 2.622 2.440 3.247 . 0 0 "[ . 1 . 2]" 1
990 1 99 ILE H 1 99 ILE MD 5.500 . 5.500 3.590 2.486 3.812 . 0 0 "[ . 1 . 2]" 1
991 1 99 ILE H 1 99 ILE QG 3.300 . 3.300 2.104 1.767 2.749 0.033 11 0 "[ . 1 . 2]" 1
992 1 99 ILE HB 1 100 LEU QB 5.500 . 5.500 4.342 4.032 4.465 . 0 0 "[ . 1 . 2]" 1
993 1 99 ILE MD 1 100 LEU H 5.500 . 5.500 4.526 4.002 4.608 . 0 0 "[ . 1 . 2]" 1
994 1 99 ILE MG 1 103 LYS HA 5.500 . 5.500 4.254 3.815 4.556 . 0 0 "[ . 1 . 2]" 1
995 1 99 ILE MG 1 103 LYS QG 5.500 . 5.500 3.084 2.093 4.090 . 0 0 "[ . 1 . 2]" 1
996 1 99 ILE MD 2 9 ILE HB 5.500 . 5.500 2.430 2.002 3.139 . 0 0 "[ . 1 . 2]" 1
997 1 99 ILE MD 2 9 ILE H 5.500 . 5.500 4.525 4.339 4.612 . 0 0 "[ . 1 . 2]" 1
998 1 99 ILE MG 2 9 ILE HB 4.000 . 4.000 2.594 1.989 3.011 . 0 0 "[ . 1 . 2]" 1
999 1 99 ILE MG 2 11 ALA HA 5.500 . 5.500 4.257 3.925 4.576 . 0 0 "[ . 1 . 2]" 1
1000 1 99 ILE MG 2 11 ALA MB 4.500 . 4.500 2.777 2.446 3.135 . 0 0 "[ . 1 . 2]" 1
1001 1 96 TYR QD 1 100 LEU MD1 6.500 . 6.500 4.138 3.399 4.606 . 0 0 "[ . 1 . 2]" 1
1002 1 96 TYR HA 1 100 LEU H 5.500 . 5.500 3.737 3.608 3.950 . 0 0 "[ . 1 . 2]" 1
1003 1 97 ASN HA 1 100 LEU QB 5.500 . 5.500 2.778 2.631 3.045 . 0 0 "[ . 1 . 2]" 1
1004 1 97 ASN HA 1 100 LEU MD1 5.500 . 5.500 4.460 4.349 4.584 . 0 0 "[ . 1 . 2]" 1
1005 1 97 ASN HA 1 100 LEU MD2 5.500 . 5.500 3.005 2.724 3.334 . 0 0 "[ . 1 . 2]" 1
1006 1 98 ILE HA 1 100 LEU H 5.500 . 5.500 4.980 4.720 5.176 . 0 0 "[ . 1 . 2]" 1
1007 1 99 ILE H 1 100 LEU MD1 5.500 . 5.500 4.198 4.043 4.443 . 0 0 "[ . 1 . 2]" 1
1008 1 99 ILE HA 1 100 LEU H 5.000 . 5.000 3.579 3.558 3.589 . 0 0 "[ . 1 . 2]" 1
1009 1 99 ILE HB 1 100 LEU H 3.500 . 3.500 2.302 1.967 2.429 . 0 0 "[ . 1 . 2]" 1
1010 1 99 ILE MG 1 100 LEU H 4.000 . 4.000 3.163 2.720 3.303 . 0 0 "[ . 1 . 2]" 1
1011 1 99 ILE H 1 100 LEU H 3.500 . 3.500 2.965 2.909 3.044 . 0 0 "[ . 1 . 2]" 1
1012 1 100 LEU HA 1 100 LEU MD1 4.000 . 4.000 1.948 1.872 2.000 . 0 0 "[ . 1 . 2]" 1
1013 1 100 LEU H 1 100 LEU MD1 5.500 . 5.500 2.022 1.912 2.207 . 0 0 "[ . 1 . 2]" 1
1014 1 100 LEU H 1 100 LEU MD2 4.000 . 4.000 3.348 3.338 3.362 . 0 0 "[ . 1 . 2]" 1
1015 1 100 LEU H 1 100 LEU HG 5.000 . 5.000 4.034 3.933 4.209 . 0 0 "[ . 1 . 2]" 1
1016 1 100 LEU MD1 1 101 GLU H 5.500 . 5.500 4.138 4.063 4.238 . 0 0 "[ . 1 . 2]" 1
1017 1 100 LEU HG 1 101 GLU H 5.000 . 5.000 5.027 5.020 5.041 0.041 19 0 "[ . 1 . 2]" 1
1018 1 100 LEU HA 1 103 LYS QE 5.500 . 5.500 2.758 1.984 3.317 . 0 0 "[ . 1 . 2]" 1
1019 1 100 LEU QB 1 103 LYS QG 6.000 . 6.000 3.911 3.313 4.573 . 0 0 "[ . 1 . 2]" 1
1020 1 100 LEU MD1 1 103 LYS QE 4.500 . 4.500 2.509 1.792 3.348 0.008 18 0 "[ . 1 . 2]" 1
1021 1 100 LEU MD2 1 103 LYS QE 6.000 . 6.000 4.183 3.769 4.455 . 0 0 "[ . 1 . 2]" 1
1022 1 100 LEU MD1 2 9 ILE MG 4.500 . 4.500 2.107 1.732 2.451 0.068 1 0 "[ . 1 . 2]" 1
1023 1 100 LEU H 2 9 ILE MD 5.500 . 5.500 4.231 3.520 4.619 . 0 0 "[ . 1 . 2]" 1
1024 1 97 ASN HA 1 101 GLU H 5.000 . 5.000 3.746 3.562 3.985 . 0 0 "[ . 1 . 2]" 1
1025 1 98 ILE HA 1 101 GLU QB 5.500 . 5.500 2.891 2.653 3.043 . 0 0 "[ . 1 . 2]" 1
1026 1 98 ILE HA 1 101 GLU QG 5.500 . 5.500 3.951 3.543 4.426 . 0 0 "[ . 1 . 2]" 1
1027 1 98 ILE HA 1 101 GLU H 5.000 . 5.000 3.946 3.685 4.078 . 0 0 "[ . 1 . 2]" 1
1028 1 98 ILE H 1 101 GLU H 5.000 . 5.000 4.700 4.606 4.823 . 0 0 "[ . 1 . 2]" 1
1029 1 99 ILE HB 1 101 GLU H 5.000 . 5.000 4.978 4.743 5.015 0.015 19 0 "[ . 1 . 2]" 1
1030 1 99 ILE H 1 101 GLU H 5.000 . 5.000 4.376 4.246 4.443 . 0 0 "[ . 1 . 2]" 1
1031 1 100 LEU QB 1 101 GLU QG 6.000 . 6.000 3.585 3.358 3.772 . 0 0 "[ . 1 . 2]" 1
1032 1 100 LEU HA 1 101 GLU H 3.500 . 3.500 3.537 3.530 3.543 0.043 11 0 "[ . 1 . 2]" 1
1033 1 100 LEU QB 1 101 GLU H 4.000 . 4.000 2.456 2.415 2.522 . 0 0 "[ . 1 . 2]" 1
1034 1 100 LEU MD2 1 101 GLU H 5.500 . 5.500 4.313 4.205 4.388 . 0 0 "[ . 1 . 2]" 1
1035 1 100 LEU H 1 101 GLU H 3.500 . 3.500 2.914 2.823 2.981 . 0 0 "[ . 1 . 2]" 1
1036 1 101 GLU H 1 101 GLU QG 3.500 . 3.500 2.711 2.516 2.959 . 0 0 "[ . 1 . 2]" 1
1037 1 101 GLU H 1 102 SER H 2.800 . 2.800 2.650 2.564 2.703 . 0 0 "[ . 1 . 2]" 1
1038 1 82 TRP HD1 1 102 SER H 5.000 . 5.000 4.790 4.486 5.017 0.017 8 0 "[ . 1 . 2]" 1
1039 1 82 TRP HE1 1 102 SER H 5.000 . 5.000 4.626 4.336 4.992 . 0 0 "[ . 1 . 2]" 1
1040 1 98 ILE HA 1 102 SER H 5.000 . 5.000 4.597 4.341 4.838 . 0 0 "[ . 1 . 2]" 1
1041 1 99 ILE HA 1 102 SER H 3.500 . 3.500 3.380 3.281 3.490 . 0 0 "[ . 1 . 2]" 1
1042 1 99 ILE H 1 102 SER H 5.000 . 5.000 4.752 4.613 4.861 . 0 0 "[ . 1 . 2]" 1
1043 1 100 LEU HA 1 102 SER H 5.000 . 5.000 3.969 3.874 4.058 . 0 0 "[ . 1 . 2]" 1
1044 1 100 LEU H 1 102 SER H 5.000 . 5.000 3.989 3.919 4.060 . 0 0 "[ . 1 . 2]" 1
1045 1 101 GLU HA 1 102 SER H 3.500 . 3.500 3.465 3.453 3.483 . 0 0 "[ . 1 . 2]" 1
1046 1 101 GLU QB 1 102 SER H 3.300 . 3.300 2.926 2.846 2.958 . 0 0 "[ . 1 . 2]" 1
1047 1 101 GLU QG 1 102 SER H 5.500 . 5.500 4.407 4.362 4.543 . 0 0 "[ . 1 . 2]" 1
1048 1 102 SER H 1 103 LYS H 2.800 . 2.800 2.285 2.214 2.374 . 0 0 "[ . 1 . 2]" 1
1049 1 100 LEU HA 1 103 LYS H 3.500 . 3.500 3.179 3.107 3.276 . 0 0 "[ . 1 . 2]" 1
1050 1 100 LEU MD1 1 103 LYS H 5.500 . 5.500 4.595 4.581 4.609 . 0 0 "[ . 1 . 2]" 1
1051 1 101 GLU H 1 103 LYS H 5.000 . 5.000 3.967 3.903 4.035 . 0 0 "[ . 1 . 2]" 1
1052 1 103 LYS H 1 103 LYS QD 5.500 . 5.500 4.370 3.912 4.692 . 0 0 "[ . 1 . 2]" 1
1053 1 103 LYS H 1 103 LYS QE 5.500 . 5.500 4.575 3.874 4.906 . 0 0 "[ . 1 . 2]" 1
1054 1 103 LYS H 1 103 LYS QG 4.000 . 4.000 2.682 2.433 3.092 . 0 0 "[ . 1 . 2]" 1
1055 1 103 LYS H 1 104 SER H 5.000 . 5.000 2.599 2.494 2.704 . 0 0 "[ . 1 . 2]" 1
1056 1 104 SER QB 1 105 GLU QG 6.000 . 6.000 3.963 3.256 4.644 . 0 0 "[ . 1 . 2]" 1
1057 1 104 SER HA 1 105 GLU H 3.500 . 3.500 3.395 3.192 3.486 . 0 0 "[ . 1 . 2]" 1
1058 1 104 SER QB 1 105 GLU H 4.000 . 4.000 3.177 2.909 3.566 . 0 0 "[ . 1 . 2]" 1
1059 1 104 SER H 1 105 GLU H 3.500 . 3.500 2.329 2.120 2.490 . 0 0 "[ . 1 . 2]" 1
1060 1 105 GLU H 1 105 GLU QG 4.000 . 4.000 2.936 2.244 3.513 . 0 0 "[ . 1 . 2]" 1
1061 1 105 GLU H 1 107 GLN H 5.000 . 5.000 5.015 5.002 5.030 0.030 6 0 "[ . 1 . 2]" 1
1062 1 105 GLU H 1 108 VAL MG2 5.500 . 5.500 4.422 4.090 4.592 . 0 0 "[ . 1 . 2]" 1
1063 1 24 ILE MG 1 107 GLN QB 6.000 . 6.000 3.950 3.581 4.249 . 0 0 "[ . 1 . 2]" 1
1064 1 24 ILE MD 1 107 GLN QE 6.000 . 6.000 4.114 3.323 4.468 . 0 0 "[ . 1 . 2]" 1
1065 1 24 ILE MG 1 107 GLN QE 4.500 . 4.500 2.201 1.780 3.094 0.020 6 0 "[ . 1 . 2]" 1
1066 1 26 ASN HA 1 107 GLN HA 5.000 . 5.000 2.271 2.043 2.393 . 0 0 "[ . 1 . 2]" 1
1067 1 26 ASN HA 1 107 GLN QG 5.500 . 5.500 3.491 3.094 3.822 . 0 0 "[ . 1 . 2]" 1
1068 1 26 ASN HA 1 107 GLN H 5.000 . 5.000 4.817 4.429 5.011 0.011 7 0 "[ . 1 . 2]" 1
1069 1 105 GLU HA 1 107 GLN H 4.000 . 4.000 3.824 3.689 4.004 0.004 17 0 "[ . 1 . 2]" 1
1070 1 105 GLU QB 1 107 GLN H 4.000 . 4.000 2.356 2.194 2.469 . 0 0 "[ . 1 . 2]" 1
1071 1 105 GLU QG 1 107 GLN H 5.500 . 5.500 4.277 3.398 4.595 . 0 0 "[ . 1 . 2]" 1
1072 1 106 PRO HA 1 107 GLN H 3.500 . 3.500 3.425 3.352 3.492 . 0 0 "[ . 1 . 2]" 1
1073 1 107 GLN H 1 108 VAL MG2 5.500 . 5.500 3.863 3.633 4.031 . 0 0 "[ . 1 . 2]" 1
1074 1 107 GLN H 1 108 VAL H 5.000 . 5.000 4.391 4.327 4.428 . 0 0 "[ . 1 . 2]" 1
1075 1 24 ILE HA 1 108 VAL H 5.500 . 5.500 4.496 4.362 4.770 . 0 0 "[ . 1 . 2]" 1
1076 1 24 ILE MG 1 108 VAL H 5.500 . 5.500 3.228 2.825 3.661 . 0 0 "[ . 1 . 2]" 1
1077 1 25 LEU QB 1 108 VAL H 5.500 . 5.500 4.098 3.888 4.278 . 0 0 "[ . 1 . 2]" 1
1078 1 26 ASN HA 1 108 VAL H 3.500 . 3.500 3.234 3.081 3.357 . 0 0 "[ . 1 . 2]" 1
1079 1 27 LYS QE 1 108 VAL MG2 6.000 . 6.000 3.768 2.972 4.460 . 0 0 "[ . 1 . 2]" 1
1080 1 27 LYS QG 1 108 VAL H 6.500 . 6.500 5.006 4.679 5.657 . 0 0 "[ . 1 . 2]" 1
1081 1 82 TRP HA 1 108 VAL MG1 5.500 . 5.500 3.699 3.576 3.915 . 0 0 "[ . 1 . 2]" 1
1082 1 82 TRP HZ2 1 108 VAL MG1 5.500 . 5.500 3.974 3.771 4.243 . 0 0 "[ . 1 . 2]" 1
1083 1 82 TRP HE1 1 108 VAL MG2 5.500 . 5.500 3.480 3.336 3.780 . 0 0 "[ . 1 . 2]" 1
1084 1 83 ASN QB 1 108 VAL MG1 4.500 . 4.500 2.925 2.721 3.233 . 0 0 "[ . 1 . 2]" 1
1085 1 83 ASN QB 1 108 VAL MG2 6.000 . 6.000 3.527 3.192 3.811 . 0 0 "[ . 1 . 2]" 1
1086 1 103 LYS HA 1 108 VAL MG2 5.500 . 5.500 3.960 3.382 4.583 . 0 0 "[ . 1 . 2]" 1
1087 1 107 GLN HA 1 108 VAL MG2 5.500 . 5.500 3.635 3.373 3.861 . 0 0 "[ . 1 . 2]" 1
1088 1 107 GLN HA 1 108 VAL H 2.800 . 2.800 2.325 2.241 2.393 . 0 0 "[ . 1 . 2]" 1
1089 1 107 GLN QB 1 108 VAL H 4.000 . 4.000 3.357 3.204 3.524 . 0 0 "[ . 1 . 2]" 1
1090 1 107 GLN QG 1 108 VAL H 4.000 . 4.000 2.017 1.908 2.252 . 0 0 "[ . 1 . 2]" 1
1091 1 108 VAL H 1 108 VAL MG2 4.000 . 4.000 3.133 2.964 3.335 . 0 0 "[ . 1 . 2]" 1
1092 1 108 VAL MG2 1 109 GLU H 5.500 . 5.500 3.733 3.585 3.825 . 0 0 "[ . 1 . 2]" 1
1093 1 108 VAL H 1 109 GLU H 5.000 . 5.000 4.380 4.325 4.421 . 0 0 "[ . 1 . 2]" 1
1094 1 24 ILE MG 1 109 GLU H 5.500 . 5.500 4.444 4.324 4.585 . 0 0 "[ . 1 . 2]" 1
1095 1 82 TRP HA 1 109 GLU H 5.000 . 5.000 4.876 4.748 5.007 0.007 6 0 "[ . 1 . 2]" 1
1096 1 83 ASN HA 1 109 GLU H 3.500 . 3.500 2.059 1.963 2.213 . 0 0 "[ . 1 . 2]" 1
1097 1 83 ASN QB 1 109 GLU H 5.500 . 5.500 3.948 3.759 4.198 . 0 0 "[ . 1 . 2]" 1
1098 1 83 ASN QD 1 109 GLU H 5.500 . 5.500 3.105 2.679 3.416 . 0 0 "[ . 1 . 2]" 1
1099 1 108 VAL HA 1 109 GLU H 2.800 . 2.800 2.249 2.192 2.294 . 0 0 "[ . 1 . 2]" 1
1100 1 108 VAL HB 1 109 GLU H 5.000 . 5.000 3.946 3.821 4.111 . 0 0 "[ . 1 . 2]" 1
1101 1 108 VAL MG1 1 109 GLU H 4.000 . 4.000 2.158 1.974 2.387 . 0 0 "[ . 1 . 2]" 1
1102 1 109 GLU QG 1 110 ILE H 5.500 . 5.500 3.323 3.067 4.368 . 0 0 "[ . 1 . 2]" 1
1103 1 109 GLU H 1 110 ILE H 5.000 . 5.000 4.079 4.032 4.154 . 0 0 "[ . 1 . 2]" 1
1104 1 109 GLU QG 1 111 ILE MD 6.000 . 6.000 2.469 2.063 4.056 . 0 0 "[ . 1 . 2]" 1
1105 1 109 GLU QG 1 111 ILE QG 5.500 . 5.500 3.683 3.217 4.380 . 0 0 "[ . 1 . 2]" 1
1106 1 23 VAL HB 1 110 ILE MD 5.500 . 5.500 3.412 3.363 3.518 . 0 0 "[ . 1 . 2]" 1
1107 1 23 VAL HB 1 110 ILE QG 4.000 . 4.000 1.942 1.882 2.017 . 0 0 "[ . 1 . 2]" 1
1108 1 23 VAL HB 1 110 ILE H 3.500 . 3.500 3.318 3.187 3.504 0.004 17 0 "[ . 1 . 2]" 1
1109 1 24 ILE HA 1 110 ILE H 3.500 . 3.500 3.168 2.945 3.336 . 0 0 "[ . 1 . 2]" 1
1110 1 24 ILE MG 1 110 ILE H 5.500 . 5.500 4.582 4.523 4.593 . 0 0 "[ . 1 . 2]" 1
1111 1 25 LEU QB 1 110 ILE MD 6.000 . 6.000 2.666 2.458 2.825 . 0 0 "[ . 1 . 2]" 1
1112 1 25 LEU H 1 110 ILE QG 5.500 . 5.500 3.591 3.415 3.730 . 0 0 "[ . 1 . 2]" 1
1113 1 25 LEU QB 1 110 ILE H 5.500 . 5.500 4.559 4.405 4.741 . 0 0 "[ . 1 . 2]" 1
1114 1 79 VAL HB 1 110 ILE MG 5.500 . 5.500 4.100 4.032 4.205 . 0 0 "[ . 1 . 2]" 1
1115 1 82 TRP HA 1 110 ILE MD 5.500 . 5.500 4.617 4.608 4.630 . 0 0 "[ . 1 . 2]" 1
1116 1 82 TRP HE3 1 110 ILE MD 6.500 . 6.500 4.122 3.811 4.564 . 0 0 "[ . 1 . 2]" 1
1117 1 82 TRP HH2 1 110 ILE MD 5.500 . 5.500 3.836 3.546 4.278 . 0 0 "[ . 1 . 2]" 1
1118 1 82 TRP HZ3 1 110 ILE MD 5.500 . 5.500 3.585 3.161 4.224 . 0 0 "[ . 1 . 2]" 1
1119 1 82 TRP HA 1 110 ILE MG 4.000 . 4.000 1.868 1.856 1.879 . 0 0 "[ . 1 . 2]" 1
1120 1 82 TRP HE3 1 110 ILE MG 5.500 . 5.500 2.471 2.304 2.821 . 0 0 "[ . 1 . 2]" 1
1121 1 82 TRP HZ3 1 110 ILE MG 5.500 . 5.500 3.212 2.987 3.620 . 0 0 "[ . 1 . 2]" 1
1122 1 108 VAL MG1 1 110 ILE QG 4.500 . 4.500 2.664 2.508 2.802 . 0 0 "[ . 1 . 2]" 1
1123 1 108 VAL MG1 1 110 ILE H 4.000 . 4.000 3.362 3.354 3.370 . 0 0 "[ . 1 . 2]" 1
1124 1 109 GLU HA 1 110 ILE HB 6.000 . 6.000 5.700 5.679 5.720 . 0 0 "[ . 1 . 2]" 1
1125 1 109 GLU HA 1 110 ILE QG 5.500 . 5.500 3.451 3.410 3.495 . 0 0 "[ . 1 . 2]" 1
1126 1 109 GLU HA 1 110 ILE H 2.800 . 2.800 2.169 2.161 2.179 . 0 0 "[ . 1 . 2]" 1
1127 1 110 ILE H 1 110 ILE MD 5.500 . 5.500 3.671 3.645 3.701 . 0 0 "[ . 1 . 2]" 1
1128 1 110 ILE H 1 110 ILE QG 4.000 . 4.000 1.939 1.914 1.974 . 0 0 "[ . 1 . 2]" 1
1129 1 110 ILE HB 1 111 ILE H 5.000 . 5.000 3.058 2.990 3.120 . 0 0 "[ . 1 . 2]" 1
1130 1 110 ILE H 1 111 ILE H 5.000 . 5.000 4.436 4.421 4.448 . 0 0 "[ . 1 . 2]" 1
1131 1 22 ARG HA 1 111 ILE HA 5.000 . 5.000 2.910 2.713 3.157 . 0 0 "[ . 1 . 2]" 1
1132 1 22 ARG HA 1 111 ILE HB 5.000 . 5.000 4.916 4.819 5.036 0.036 4 0 "[ . 1 . 2]" 1
1133 1 22 ARG HA 1 111 ILE MD 5.500 . 5.500 1.776 1.758 1.802 0.042 17 0 "[ . 1 . 2]" 1
1134 1 22 ARG QD 1 111 ILE MD 6.000 . 6.000 3.465 1.865 4.239 . 0 0 "[ . 1 . 2]" 1
1135 1 22 ARG HA 1 111 ILE MG 5.500 . 5.500 2.695 2.563 2.783 . 0 0 "[ . 1 . 2]" 1
1136 1 23 VAL HA 1 111 ILE MD 5.500 . 5.500 4.608 4.598 4.616 . 0 0 "[ . 1 . 2]" 1
1137 1 80 LEU H 1 111 ILE H 5.000 . 5.000 4.599 4.415 4.732 . 0 0 "[ . 1 . 2]" 1
1138 1 81 GLU H 1 111 ILE QG 5.500 . 5.500 4.332 4.237 4.407 . 0 0 "[ . 1 . 2]" 1
1139 1 81 GLU QB 1 111 ILE H 4.000 . 4.000 2.156 2.021 2.256 . 0 0 "[ . 1 . 2]" 1
1140 1 81 GLU QG 1 111 ILE H 5.500 . 5.500 4.113 3.911 4.448 . 0 0 "[ . 1 . 2]" 1
1141 1 82 TRP HA 1 111 ILE H 5.000 . 5.000 4.101 4.016 4.174 . 0 0 "[ . 1 . 2]" 1
1142 1 110 ILE H 1 111 ILE MD 5.500 . 5.500 3.667 3.584 3.729 . 0 0 "[ . 1 . 2]" 1
1143 1 110 ILE HA 1 111 ILE H 2.800 . 2.800 2.165 2.152 2.178 . 0 0 "[ . 1 . 2]" 1
1144 1 110 ILE QG 1 111 ILE H 5.500 . 5.500 4.341 4.304 4.375 . 0 0 "[ . 1 . 2]" 1
1145 1 110 ILE MG 1 111 ILE H 4.000 . 4.000 3.346 3.337 3.356 . 0 0 "[ . 1 . 2]" 1
1146 1 111 ILE H 1 111 ILE MD 5.500 . 5.500 3.170 3.147 3.218 . 0 0 "[ . 1 . 2]" 1
1147 1 111 ILE MG 1 112 VAL HA 5.500 . 5.500 3.861 3.811 3.928 . 0 0 "[ . 1 . 2]" 1
1148 1 111 ILE MG 1 112 VAL H 4.000 . 4.000 1.953 1.921 1.990 . 0 0 "[ . 1 . 2]" 1
1149 1 111 ILE H 1 112 VAL H 5.000 . 5.000 4.477 4.468 4.487 . 0 0 "[ . 1 . 2]" 1
1150 1 10 TRP HH2 1 112 VAL MG2 4.000 . 4.000 1.880 1.838 1.993 . 0 0 "[ . 1 . 2]" 1
1151 1 10 TRP HZ3 1 112 VAL MG2 5.500 . 5.500 2.057 1.810 2.662 . 0 0 "[ . 1 . 2]" 1
1152 1 22 ARG HA 1 112 VAL H 5.000 . 5.000 4.297 4.034 4.603 . 0 0 "[ . 1 . 2]" 1
1153 1 77 ASP QB 1 112 VAL MG1 4.500 . 4.500 2.267 2.179 2.391 . 0 0 "[ . 1 . 2]" 1
1154 1 77 ASP QB 1 112 VAL MG2 6.000 . 6.000 3.611 3.365 3.796 . 0 0 "[ . 1 . 2]" 1
1155 1 78 GLU H 1 112 VAL MG1 5.500 . 5.500 3.665 3.516 3.707 . 0 0 "[ . 1 . 2]" 1
1156 1 79 VAL HA 1 112 VAL HA 5.000 . 5.000 2.144 2.079 2.180 . 0 0 "[ . 1 . 2]" 1
1157 1 79 VAL HA 1 112 VAL MG1 4.000 . 4.000 2.013 1.947 2.196 . 0 0 "[ . 1 . 2]" 1
1158 1 110 ILE MD 1 112 VAL MG1 6.000 . 6.000 4.168 4.148 4.175 . 0 0 "[ . 1 . 2]" 1
1159 1 110 ILE QG 1 112 VAL MG1 6.000 . 6.000 4.459 4.454 4.465 . 0 0 "[ . 1 . 2]" 1
1160 1 111 ILE HA 1 112 VAL MG1 5.500 . 5.500 3.761 3.699 3.828 . 0 0 "[ . 1 . 2]" 1
1161 1 111 ILE HA 1 112 VAL MG2 5.500 . 5.500 3.464 3.360 3.618 . 0 0 "[ . 1 . 2]" 1
1162 1 111 ILE HA 1 112 VAL H 2.800 . 2.800 2.256 2.238 2.274 . 0 0 "[ . 1 . 2]" 1
1163 1 111 ILE HB 1 112 VAL H 5.000 . 5.000 3.717 3.650 3.776 . 0 0 "[ . 1 . 2]" 1
1164 1 111 ILE MD 1 112 VAL H 5.500 . 5.500 3.883 3.838 3.934 . 0 0 "[ . 1 . 2]" 1
1165 1 111 ILE QG 1 112 VAL H 5.500 . 5.500 4.624 4.613 4.639 . 0 0 "[ . 1 . 2]" 1
1166 1 77 ASP HA 1 113 SER H 5.000 . 5.000 5.013 4.999 5.021 0.021 4 0 "[ . 1 . 2]" 1
1167 1 77 ASP QB 1 113 SER H 5.500 . 5.500 4.585 4.355 4.904 . 0 0 "[ . 1 . 2]" 1
1168 1 78 GLU QB 1 113 SER H 5.500 . 5.500 3.368 3.173 3.454 . 0 0 "[ . 1 . 2]" 1
1169 1 78 GLU QG 1 113 SER H 6.500 . 6.500 4.975 4.796 5.178 . 0 0 "[ . 1 . 2]" 1
1170 1 79 VAL HA 1 113 SER H 5.000 . 5.000 4.183 4.074 4.235 . 0 0 "[ . 1 . 2]" 1
1171 1 80 LEU MD1 1 113 SER H 5.500 . 5.500 4.419 3.867 4.585 . 0 0 "[ . 1 . 2]" 1
1172 1 112 VAL HA 1 113 SER H 2.800 . 2.800 2.554 2.527 2.570 . 0 0 "[ . 1 . 2]" 1
1173 1 112 VAL HB 1 113 SER H 2.800 . 2.800 1.991 1.965 2.030 . 0 0 "[ . 1 . 2]" 1
1174 1 112 VAL MG1 1 113 SER H 4.000 . 4.000 3.344 3.335 3.352 . 0 0 "[ . 1 . 2]" 1
1175 1 112 VAL MG2 1 113 SER H 4.000 . 4.000 3.304 3.243 3.336 . 0 0 "[ . 1 . 2]" 1
1176 1 10 TRP HZ3 1 114 ARG H 5.000 . 5.000 3.656 2.677 4.659 . 0 0 "[ . 1 . 2]" 1
1177 1 20 ILE HA 1 114 ARG H 5.000 . 5.000 3.838 3.418 4.247 . 0 0 "[ . 1 . 2]" 1
1178 1 20 ILE MD 1 114 ARG H 4.000 . 4.000 3.267 2.879 3.335 . 0 0 "[ . 1 . 2]" 1
1179 1 113 SER HA 1 114 ARG H 2.800 . 2.800 2.158 2.140 2.236 . 0 0 "[ . 1 . 2]" 1
1180 1 113 SER QB 1 114 ARG H 5.500 . 5.500 3.541 2.997 3.902 . 0 0 "[ . 1 . 2]" 1
1181 1 44 VAL MG2 2 6 GLU QG 6.000 . 6.000 3.338 2.649 4.440 . 0 0 "[ . 1 . 2]" 1
1182 1 47 LYS QD 2 6 GLU QG 6.000 . 6.000 4.601 4.100 4.767 . 0 0 "[ . 1 . 2]" 1
1183 2 6 GLU H 2 6 GLU QG 4.000 . 4.000 3.777 1.979 4.495 0.495 6 0 "[ . 1 . 2]" 1
1184 2 6 GLU QG 2 7 GLU H 5.500 . 5.500 3.605 2.052 4.431 . 0 0 "[ . 1 . 2]" 1
1185 1 44 VAL MG2 2 7 GLU H 5.500 . 5.500 3.634 2.449 4.100 . 0 0 "[ . 1 . 2]" 1
1186 2 6 GLU HA 2 7 GLU H 3.500 . 3.500 2.391 2.145 3.543 0.043 17 0 "[ . 1 . 2]" 1
1187 2 6 GLU H 2 7 GLU H 5.000 . 5.000 3.563 2.091 4.456 . 0 0 "[ . 1 . 2]" 1
1188 2 7 GLU H 2 7 GLU QG 4.000 . 4.000 2.524 1.980 3.386 . 0 0 "[ . 1 . 2]" 1
1189 1 44 VAL HA 2 8 GLY QA 4.500 . 4.500 2.120 1.915 2.459 . 0 0 "[ . 1 . 2]" 1
1190 1 44 VAL MG2 2 8 GLY H 5.000 . 5.000 2.315 1.957 2.785 . 0 0 "[ . 1 . 2]" 1
1191 1 45 GLY H 2 8 GLY H 5.000 . 5.000 4.982 4.674 5.031 0.031 10 0 "[ . 1 . 2]" 1
1192 2 7 GLU HA 2 8 GLY H 3.500 . 3.500 2.561 2.380 2.716 . 0 0 "[ . 1 . 2]" 1
1193 2 7 GLU QB 2 8 GLY H 4.000 . 4.000 2.139 1.854 2.482 . 0 0 "[ . 1 . 2]" 1
1194 2 7 GLU QG 2 8 GLY H 4.000 . 4.000 3.342 2.926 3.596 . 0 0 "[ . 1 . 2]" 1
1195 2 7 GLU H 2 8 GLY H 5.000 . 5.000 4.481 4.383 4.573 . 0 0 "[ . 1 . 2]" 1
1196 1 42 LYS HA 2 9 ILE H 5.000 . 5.000 5.011 4.896 5.056 0.056 16 0 "[ . 1 . 2]" 1
1197 1 43 VAL HB 2 9 ILE H 5.000 . 5.000 4.529 4.193 4.840 . 0 0 "[ . 1 . 2]" 1
1198 1 43 VAL H 2 9 ILE H 3.500 . 3.500 3.480 3.334 3.534 0.034 8 0 "[ . 1 . 2]" 1
1199 1 44 VAL HA 2 9 ILE H 5.000 . 5.000 3.186 3.070 3.349 . 0 0 "[ . 1 . 2]" 1
1200 1 95 VAL HB 2 9 ILE MD 5.500 . 5.500 3.092 2.771 3.597 . 0 0 "[ . 1 . 2]" 1
1201 1 96 TYR HA 2 9 ILE MG 4.000 . 4.000 2.944 2.491 3.342 . 0 0 "[ . 1 . 2]" 1
1202 1 96 TYR QD 2 9 ILE MG 4.500 . 4.500 3.357 3.346 3.368 . 0 0 "[ . 1 . 2]" 1
1203 1 96 TYR QE 2 9 ILE H 6.000 . 6.000 4.421 4.106 4.833 . 0 0 "[ . 1 . 2]" 1
1204 1 99 ILE MD 2 9 ILE MD 6.000 . 6.000 2.357 1.615 3.080 0.185 9 0 "[ . 1 . 2]" 1
1205 1 99 ILE HB 2 9 ILE MG 4.000 . 4.000 2.474 1.918 3.182 . 0 0 "[ . 1 . 2]" 1
1206 1 99 ILE MD 2 9 ILE MG 4.500 . 4.500 2.818 1.941 3.136 . 0 0 "[ . 1 . 2]" 1
1207 2 8 GLY QA 2 9 ILE H 3.500 . 3.500 2.566 2.402 2.723 . 0 0 "[ . 1 . 2]" 1
1208 2 8 GLY H 2 9 ILE H 5.000 . 5.000 2.286 1.962 2.600 . 0 0 "[ . 1 . 2]" 1
1209 2 9 ILE MD 2 10 TRP H 5.500 . 5.500 4.611 4.518 4.643 . 0 0 "[ . 1 . 2]" 1
1210 2 9 ILE H 2 10 TRP H 5.000 . 5.000 4.394 4.355 4.447 . 0 0 "[ . 1 . 2]" 1
1211 2 9 ILE HA 2 10 TRP H 3.500 . 3.500 2.282 2.216 2.330 . 0 0 "[ . 1 . 2]" 1
1212 2 9 ILE HB 2 10 TRP H 3.500 . 3.500 3.143 2.916 3.314 . 0 0 "[ . 1 . 2]" 1
1213 2 9 ILE QG 2 10 TRP H 5.500 . 5.500 4.417 4.245 4.600 . 0 0 "[ . 1 . 2]" 1
1214 2 9 ILE MG 2 10 TRP H 5.500 . 5.500 2.285 1.940 2.719 . 0 0 "[ . 1 . 2]" 1
1215 2 10 TRP H 2 10 TRP HE3 5.000 . 5.000 4.934 4.787 5.017 0.017 15 0 "[ . 1 . 2]" 1
1216 1 38 LEU QB 2 11 ALA H 5.500 . 5.500 3.898 3.623 4.223 . 0 0 "[ . 1 . 2]" 1
1217 1 38 LEU MD2 2 11 ALA H 5.500 . 5.500 2.664 2.320 2.974 . 0 0 "[ . 1 . 2]" 1
1218 1 39 LEU QB 2 11 ALA MB 6.000 . 6.000 4.158 3.822 4.452 . 0 0 "[ . 1 . 2]" 1
1219 1 39 LEU MD2 2 11 ALA MB 6.000 . 6.000 2.530 2.138 2.891 . 0 0 "[ . 1 . 2]" 1
1220 1 39 LEU H 2 11 ALA MB 5.500 . 5.500 3.995 3.476 4.380 . 0 0 "[ . 1 . 2]" 1
1221 1 41 LEU MD2 2 11 ALA H 5.500 . 5.500 3.824 3.301 4.025 . 0 0 "[ . 1 . 2]" 1
1222 1 42 LYS HA 2 11 ALA MB 4.000 . 4.000 3.255 2.941 3.360 . 0 0 "[ . 1 . 2]" 1
1223 1 42 LYS HA 2 11 ALA H 3.500 . 3.500 2.403 2.203 2.608 . 0 0 "[ . 1 . 2]" 1
1224 1 99 ILE MD 2 11 ALA MB 6.000 . 6.000 3.327 2.974 4.162 . 0 0 "[ . 1 . 2]" 1
1225 2 10 TRP HA 2 11 ALA H 3.500 . 3.500 2.132 2.119 2.156 . 0 0 "[ . 1 . 2]" 1
1226 2 10 TRP QB 2 11 ALA H 5.500 . 5.500 3.506 3.391 3.642 . 0 0 "[ . 1 . 2]" 1
1227 2 10 TRP HE3 2 11 ALA H 3.500 . 3.500 1.925 1.850 2.218 . 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 66
_Distance_constraint_stats_list.Viol_count 90
_Distance_constraint_stats_list.Viol_total 26.865
_Distance_constraint_stats_list.Viol_max 0.076
_Distance_constraint_stats_list.Viol_rms 0.0051
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0149
_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 11 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 VAL 0.005 0.003 17 0 "[ . 1 . 2]"
1 25 LEU 0.007 0.007 7 0 "[ . 1 . 2]"
1 39 LEU 0.329 0.076 13 0 "[ . 1 . 2]"
1 40 GLY 0.220 0.032 6 0 "[ . 1 . 2]"
1 41 LEU 0.454 0.038 19 0 "[ . 1 . 2]"
1 42 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 VAL 0.040 0.018 7 0 "[ . 1 . 2]"
1 44 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLY 0.077 0.011 14 0 "[ . 1 . 2]"
1 49 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLY 0.077 0.011 14 0 "[ . 1 . 2]"
1 56 ALA 0.005 0.005 17 0 "[ . 1 . 2]"
1 57 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLU 0.056 0.011 18 0 "[ . 1 . 2]"
1 79 VAL 0.005 0.005 17 0 "[ . 1 . 2]"
1 81 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 TRP 0.017 0.007 7 0 "[ . 1 . 2]"
1 84 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 LYS 0.017 0.007 7 0 "[ . 1 . 2]"
1 91 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 GLU 0.119 0.029 9 0 "[ . 1 . 2]"
1 94 GLU 0.009 0.009 10 0 "[ . 1 . 2]"
1 95 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 ASN 0.119 0.029 9 0 "[ . 1 . 2]"
1 98 ILE 0.016 0.009 10 0 "[ . 1 . 2]"
1 99 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 SER 0.007 0.007 16 0 "[ . 1 . 2]"
1 103 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 VAL 0.007 0.007 7 0 "[ . 1 . 2]"
1 109 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 ILE 0.005 0.003 17 0 "[ . 1 . 2]"
1 111 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 SER 0.056 0.011 18 0 "[ . 1 . 2]"
2 9 ILE 0.040 0.018 7 0 "[ . 1 . 2]"
2 11 ALA 1.003 0.076 13 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 11 GLN O 1 20 ILE H 2.000 . 2.500 2.015 1.794 2.397 . 0 0 "[ . 1 . 2]" 2
2 1 11 GLN O 1 20 ILE N 3.000 2.500 3.500 2.932 2.730 3.292 . 0 0 "[ . 1 . 2]" 2
3 1 23 VAL H 1 110 ILE O 2.000 . 2.500 1.840 1.755 1.950 . 0 0 "[ . 1 . 2]" 2
4 1 23 VAL N 1 110 ILE O 3.000 2.500 3.500 2.699 2.631 2.795 . 0 0 "[ . 1 . 2]" 2
5 1 25 LEU H 1 108 VAL O 2.000 . 2.500 1.807 1.664 1.956 . 0 0 "[ . 1 . 2]" 2
6 1 25 LEU N 1 108 VAL O 3.000 2.500 3.500 2.678 2.569 2.830 . 0 0 "[ . 1 . 2]" 2
7 1 42 LYS H 1 60 LYS O 2.000 . 2.500 1.733 1.609 1.919 . 0 0 "[ . 1 . 2]" 2
8 1 42 LYS N 1 60 LYS O 3.000 2.500 3.500 2.679 2.583 2.844 . 0 0 "[ . 1 . 2]" 2
9 1 44 VAL H 1 57 PHE O 2.000 . 2.500 1.721 1.664 1.804 . 0 0 "[ . 1 . 2]" 2
10 1 44 VAL N 1 57 PHE O 3.000 2.500 3.500 2.560 2.515 2.596 . 0 0 "[ . 1 . 2]" 2
11 1 46 GLY H 1 55 GLY O 2.000 . 2.500 2.463 2.271 2.511 0.011 14 0 "[ . 1 . 2]" 2
12 1 46 GLY N 1 55 GLY O 3.000 2.500 3.500 3.143 2.977 3.295 . 0 0 "[ . 1 . 2]" 2
13 1 49 THR H 1 53 ARG O 2.000 . 2.500 2.168 1.840 2.471 . 0 0 "[ . 1 . 2]" 2
14 1 49 THR N 1 53 ARG O 3.000 2.500 3.500 3.132 2.800 3.426 . 0 0 "[ . 1 . 2]" 2
15 1 58 ILE H 1 77 ASP O 2.000 . 2.500 2.186 2.086 2.339 . 0 0 "[ . 1 . 2]" 2
16 1 58 ILE N 1 77 ASP O 3.000 2.500 3.500 3.098 2.991 3.223 . 0 0 "[ . 1 . 2]" 2
17 1 42 LYS O 1 59 THR H 2.000 . 2.500 1.776 1.690 1.932 . 0 0 "[ . 1 . 2]" 2
18 1 42 LYS O 1 59 THR N 3.000 2.500 3.500 2.585 2.529 2.714 . 0 0 "[ . 1 . 2]" 2
19 1 40 GLY O 1 62 LYS H 2.000 . 2.500 2.080 1.812 2.458 . 0 0 "[ . 1 . 2]" 2
20 1 40 GLY O 1 62 LYS N 3.000 2.500 3.500 2.994 2.764 3.349 . 0 0 "[ . 1 . 2]" 2
21 1 56 ALA O 1 79 VAL H 2.000 . 2.500 2.140 1.885 2.505 0.005 17 0 "[ . 1 . 2]" 2
22 1 56 ALA O 1 79 VAL N 3.000 2.500 3.500 2.937 2.698 3.239 . 0 0 "[ . 1 . 2]" 2
23 1 84 GLY H 1 109 GLU O 2.000 . 2.500 2.236 2.075 2.396 . 0 0 "[ . 1 . 2]" 2
24 1 84 GLY N 1 109 GLU O 3.000 2.500 3.500 3.163 2.996 3.303 . 0 0 "[ . 1 . 2]" 2
25 1 82 TRP O 1 85 LYS H 2.000 . 2.500 2.376 2.033 2.507 0.007 7 0 "[ . 1 . 2]" 2
26 1 82 TRP O 1 85 LYS N 3.000 2.500 3.500 3.223 2.888 3.341 . 0 0 "[ . 1 . 2]" 2
27 1 91 THR O 1 94 GLU H 2.000 . 2.500 2.311 2.200 2.481 . 0 0 "[ . 1 . 2]" 2
28 1 91 THR O 1 94 GLU N 3.000 2.500 3.500 2.885 2.804 3.063 . 0 0 "[ . 1 . 2]" 2
29 1 91 THR O 1 95 VAL H 2.000 . 2.500 1.980 1.895 2.040 . 0 0 "[ . 1 . 2]" 2
30 1 91 THR O 1 95 VAL N 3.000 2.500 3.500 2.932 2.849 2.998 . 0 0 "[ . 1 . 2]" 2
31 1 92 ASN O 1 96 TYR H 2.000 . 2.500 2.029 1.683 2.180 . 0 0 "[ . 1 . 2]" 2
32 1 92 ASN O 1 96 TYR N 3.000 2.500 3.500 2.947 2.591 3.081 . 0 0 "[ . 1 . 2]" 2
33 1 93 GLU O 1 97 ASN H 2.000 . 2.500 2.470 2.253 2.529 0.029 9 0 "[ . 1 . 2]" 2
34 1 93 GLU O 1 97 ASN N 3.000 2.500 3.500 3.366 3.169 3.409 . 0 0 "[ . 1 . 2]" 2
35 1 94 GLU O 1 98 ILE H 2.000 . 2.500 2.225 2.050 2.509 0.009 10 0 "[ . 1 . 2]" 2
36 1 94 GLU O 1 98 ILE N 3.000 2.500 3.500 3.153 2.996 3.370 . 0 0 "[ . 1 . 2]" 2
37 1 95 VAL O 1 99 ILE H 2.000 . 2.500 1.869 1.679 2.100 . 0 0 "[ . 1 . 2]" 2
38 1 95 VAL O 1 99 ILE N 3.000 2.500 3.500 2.787 2.654 3.023 . 0 0 "[ . 1 . 2]" 2
39 1 96 TYR O 1 100 LEU H 2.000 . 2.500 2.158 2.025 2.337 . 0 0 "[ . 1 . 2]" 2
40 1 96 TYR O 1 100 LEU N 3.000 2.500 3.500 3.041 2.904 3.228 . 0 0 "[ . 1 . 2]" 2
41 1 97 ASN O 1 101 GLU H 2.000 . 2.500 2.070 1.871 2.316 . 0 0 "[ . 1 . 2]" 2
42 1 97 ASN O 1 101 GLU N 3.000 2.500 3.500 2.970 2.784 3.208 . 0 0 "[ . 1 . 2]" 2
43 1 98 ILE O 1 102 SER H 2.000 . 2.500 2.274 2.045 2.507 0.007 16 0 "[ . 1 . 2]" 2
44 1 98 ILE O 1 102 SER N 3.000 2.500 3.500 2.998 2.756 3.208 . 0 0 "[ . 1 . 2]" 2
45 1 100 LEU O 1 103 LYS H 2.000 . 2.500 2.093 1.876 2.384 . 0 0 "[ . 1 . 2]" 2
46 1 100 LEU O 1 103 LYS N 3.000 2.500 3.500 2.912 2.718 3.176 . 0 0 "[ . 1 . 2]" 2
47 1 25 LEU O 1 108 VAL H 2.000 . 2.500 1.748 1.600 1.894 . 0 0 "[ . 1 . 2]" 2
48 1 25 LEU O 1 108 VAL N 3.000 2.500 3.500 2.537 2.493 2.574 0.007 7 0 "[ . 1 . 2]" 2
49 1 23 VAL O 1 110 ILE H 2.000 . 2.500 1.648 1.568 1.715 . 0 0 "[ . 1 . 2]" 2
50 1 23 VAL O 1 110 ILE N 3.000 2.500 3.500 2.554 2.497 2.593 0.003 17 0 "[ . 1 . 2]" 2
51 1 81 GLU O 1 111 ILE H 2.000 . 2.500 2.088 2.026 2.141 . 0 0 "[ . 1 . 2]" 2
52 1 81 GLU O 1 111 ILE N 3.000 2.500 3.500 2.996 2.948 3.037 . 0 0 "[ . 1 . 2]" 2
53 1 78 GLU O 1 113 SER H 2.000 . 2.500 2.469 2.300 2.511 0.011 18 0 "[ . 1 . 2]" 2
54 1 78 GLU O 1 113 SER N 3.000 2.500 3.500 3.189 3.033 3.235 . 0 0 "[ . 1 . 2]" 2
55 1 41 LEU O 2 11 ALA H 2.000 . 2.500 2.485 2.179 2.538 0.038 19 0 "[ . 1 . 2]" 2
56 1 41 LEU O 2 11 ALA N 3.000 2.500 3.500 3.042 2.877 3.120 . 0 0 "[ . 1 . 2]" 2
57 1 41 LEU H 2 11 ALA OXT 2.000 . 2.500 2.167 1.902 2.532 0.032 18 0 "[ . 1 . 2]" 2
58 1 41 LEU N 2 11 ALA OXT 3.000 2.500 3.500 2.964 2.763 3.282 . 0 0 "[ . 1 . 2]" 2
59 1 40 GLY H 2 11 ALA OXT 2.000 . 2.500 2.477 2.302 2.532 0.032 6 0 "[ . 1 . 2]" 2
60 1 40 GLY N 2 11 ALA OXT 3.000 2.500 3.500 3.382 3.252 3.481 . 0 0 "[ . 1 . 2]" 2
61 1 39 LEU H 2 11 ALA O 2.000 . 2.500 2.345 1.990 2.576 0.076 13 0 "[ . 1 . 2]" 2
62 1 39 LEU N 2 11 ALA O 3.000 2.500 3.500 3.198 2.960 3.335 . 0 0 "[ . 1 . 2]" 2
63 1 43 VAL O 2 9 ILE H 2.000 . 2.500 1.850 1.790 1.932 . 0 0 "[ . 1 . 2]" 2
64 1 43 VAL O 2 9 ILE N 3.000 2.500 3.500 2.771 2.745 2.801 . 0 0 "[ . 1 . 2]" 2
65 1 43 VAL H 2 9 ILE O 2.000 . 2.500 2.383 2.198 2.518 0.018 7 0 "[ . 1 . 2]" 2
66 1 43 VAL N 2 9 ILE O 3.000 2.500 3.500 3.225 3.057 3.351 . 0 0 "[ . 1 . 2]" 2
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