NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
614552 |
1b28   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1b28
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 1218
_Distance_constraint_stats_list.Viol_count 926
_Distance_constraint_stats_list.Viol_total 1683.874
_Distance_constraint_stats_list.Viol_max 0.598
_Distance_constraint_stats_list.Viol_rms 0.0379
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0071
_Distance_constraint_stats_list.Viol_average_violations_only 0.1299
_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 2 LYS 0.285 0.285 10 0 "[ . 1 ]"
1 3 GLY 0.285 0.285 10 0 "[ . 1 ]"
1 4 MET 0.097 0.032 1 0 "[ . 1 ]"
1 5 SER 0.186 0.072 11 0 "[ . 1 ]"
1 6 LYS 1.315 0.239 5 0 "[ . 1 ]"
1 7 MET 3.489 0.362 1 0 "[ . 1 ]"
1 8 PRO 2.393 0.362 1 0 "[ . 1 ]"
1 9 GLN 0.996 0.205 6 0 "[ . 1 ]"
1 10 PHE 0.722 0.097 13 0 "[ . 1 ]"
1 11 ASN 0.000 0.000 . 0 "[ . 1 ]"
1 12 LEU 3.661 0.314 2 0 "[ . 1 ]"
1 13 ARG 0.410 0.136 3 0 "[ . 1 ]"
1 14 TRP 9.587 0.330 2 0 "[ . 1 ]"
1 15 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 16 ARG 1.067 0.184 13 0 "[ . 1 ]"
1 17 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 18 VAL 6.611 0.330 2 0 "[ . 1 ]"
1 19 LEU 1.453 0.202 14 0 "[ . 1 ]"
1 20 ASP 4.251 0.274 14 0 "[ . 1 ]"
1 21 LEU 1.454 0.246 8 0 "[ . 1 ]"
1 22 VAL 3.276 0.175 3 0 "[ . 1 ]"
1 23 ARG 1.697 0.160 1 0 "[ . 1 ]"
1 24 LYS 1.631 0.134 3 0 "[ . 1 ]"
1 25 VAL 3.106 0.262 8 0 "[ . 1 ]"
1 26 ALA 4.520 0.262 8 0 "[ . 1 ]"
1 27 GLU 4.070 0.187 13 0 "[ . 1 ]"
1 28 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 29 ASN 1.718 0.118 13 0 "[ . 1 ]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 31 MET 2.492 0.134 3 0 "[ . 1 ]"
1 32 SER 3.210 0.148 4 0 "[ . 1 ]"
1 33 VAL 6.821 0.289 12 0 "[ . 1 ]"
1 34 ASN 1.252 0.242 3 0 "[ . 1 ]"
1 35 SER 1.058 0.106 6 0 "[ . 1 ]"
1 36 TYR 2.264 0.206 9 0 "[ . 1 ]"
1 37 ILE 5.070 0.372 11 0 "[ . 1 ]"
1 38 TYR 4.197 0.206 9 0 "[ . 1 ]"
1 39 GLN 1.152 0.170 2 0 "[ . 1 ]"
1 40 LEU 5.945 0.372 11 0 "[ . 1 ]"
1 41 VAL 0.876 0.104 10 0 "[ . 1 ]"
1 42 MET 1.058 0.104 10 0 "[ . 1 ]"
1 43 GLU 0.222 0.062 8 0 "[ . 1 ]"
1 44 SER 0.166 0.052 9 0 "[ . 1 ]"
1 45 PHE 0.025 0.025 2 0 "[ . 1 ]"
1 46 LYS 0.158 0.089 2 0 "[ . 1 ]"
1 47 LYS 2.333 0.396 10 0 "[ . 1 ]"
1 48 GLU 0.308 0.192 5 0 "[ . 1 ]"
1 49 GLY 0.271 0.189 5 0 "[ . 1 ]"
1 50 ARG 6.579 0.597 7 2 "[ .-+ 1 ]"
1 51 ILE 3.767 0.597 7 2 "[ .-+ 1 ]"
1 52 GLY 0.061 0.061 9 0 "[ . 1 ]"
1 53 ALA 0.000 0.000 . 0 "[ . 1 ]"
2 2 LYS 0.295 0.280 8 0 "[ . 1 ]"
2 3 GLY 0.295 0.280 8 0 "[ . 1 ]"
2 4 MET 0.209 0.087 14 0 "[ . 1 ]"
2 5 SER 0.231 0.132 4 0 "[ . 1 ]"
2 6 LYS 0.611 0.125 4 0 "[ . 1 ]"
2 7 MET 2.939 0.377 3 0 "[ . 1 ]"
2 8 PRO 2.738 0.377 3 0 "[ . 1 ]"
2 9 GLN 0.752 0.091 8 0 "[ . 1 ]"
2 10 PHE 0.630 0.091 8 0 "[ . 1 ]"
2 11 ASN 0.000 0.000 . 0 "[ . 1 ]"
2 12 LEU 3.716 0.324 4 0 "[ . 1 ]"
2 13 ARG 0.792 0.205 6 0 "[ . 1 ]"
2 14 TRP 9.851 0.367 9 0 "[ . 1 ]"
2 15 PRO 0.000 0.000 . 0 "[ . 1 ]"
2 16 ARG 0.646 0.104 3 0 "[ . 1 ]"
2 17 GLU 0.000 0.000 . 0 "[ . 1 ]"
2 18 VAL 7.330 0.367 7 0 "[ . 1 ]"
2 19 LEU 2.303 0.216 7 0 "[ . 1 ]"
2 20 ASP 4.513 0.367 7 0 "[ . 1 ]"
2 21 LEU 1.193 0.218 9 0 "[ . 1 ]"
2 22 VAL 3.947 0.281 7 0 "[ . 1 ]"
2 23 ARG 2.332 0.281 7 0 "[ . 1 ]"
2 24 LYS 1.633 0.150 1 0 "[ . 1 ]"
2 25 VAL 3.431 0.272 12 0 "[ . 1 ]"
2 26 ALA 5.041 0.272 12 0 "[ . 1 ]"
2 27 GLU 4.062 0.201 3 0 "[ . 1 ]"
2 28 GLU 0.007 0.007 3 0 "[ . 1 ]"
2 29 ASN 1.736 0.106 13 0 "[ . 1 ]"
2 30 GLY 0.000 0.000 . 0 "[ . 1 ]"
2 31 MET 2.559 0.125 12 0 "[ . 1 ]"
2 32 SER 3.264 0.156 9 0 "[ . 1 ]"
2 33 VAL 6.950 0.291 7 0 "[ . 1 ]"
2 34 ASN 1.361 0.227 12 0 "[ . 1 ]"
2 35 SER 0.992 0.114 11 0 "[ . 1 ]"
2 36 TYR 2.201 0.186 6 0 "[ . 1 ]"
2 37 ILE 4.962 0.353 6 0 "[ . 1 ]"
2 38 TYR 4.031 0.186 6 0 "[ . 1 ]"
2 39 GLN 1.097 0.162 8 0 "[ . 1 ]"
2 40 LEU 5.800 0.353 6 0 "[ . 1 ]"
2 41 VAL 0.812 0.093 7 0 "[ . 1 ]"
2 42 MET 0.855 0.093 7 0 "[ . 1 ]"
2 43 GLU 0.182 0.037 5 0 "[ . 1 ]"
2 44 SER 0.182 0.037 5 0 "[ . 1 ]"
2 45 PHE 0.602 0.380 10 0 "[ . 1 ]"
2 46 LYS 0.186 0.092 6 0 "[ . 1 ]"
2 47 LYS 2.698 0.454 6 0 "[ . 1 ]"
2 48 GLU 0.147 0.131 3 0 "[ . 1 ]"
2 49 GLY 0.473 0.148 5 0 "[ . 1 ]"
2 50 ARG 6.702 0.598 9 1 "[ . +1 ]"
2 51 ILE 3.000 0.598 9 1 "[ . +1 ]"
2 52 GLY 0.027 0.018 11 0 "[ . 1 ]"
2 53 ALA 0.000 0.000 . 0 "[ . 1 ]"
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 4 MET HA 1 4 MET QG 3.804 . 4.804 2.518 2.379 3.414 . 0 0 "[ . 1 ]" 1
2 2 4 MET HA 2 4 MET QG 3.804 . 4.804 2.602 2.366 3.412 . 0 0 "[ . 1 ]" 1
3 1 4 MET H 1 4 MET QG 3.316 . 4.316 3.039 2.621 3.390 . 0 0 "[ . 1 ]" 1
4 2 4 MET H 2 4 MET QG 3.316 . 4.316 3.057 2.523 4.055 . 0 0 "[ . 1 ]" 1
5 1 5 SER H 1 5 SER HA 2.978 . 5.807 2.971 2.331 3.064 . 0 0 "[ . 1 ]" 1
6 2 5 SER H 2 5 SER HA 2.978 . 5.807 2.918 2.329 3.067 . 0 0 "[ . 1 ]" 1
7 1 6 LYS HA 1 6 LYS QD 3.767 . 4.767 4.112 3.978 4.444 . 0 0 "[ . 1 ]" 1
8 2 6 LYS HA 2 6 LYS QD 3.767 . 4.767 4.144 3.965 4.299 . 0 0 "[ . 1 ]" 1
9 1 6 LYS H 1 6 LYS QG 2.881 . 3.881 2.679 1.945 3.890 0.009 14 0 "[ . 1 ]" 1
10 2 6 LYS H 2 6 LYS QG 2.881 . 3.881 2.468 1.969 3.319 . 0 0 "[ . 1 ]" 1
11 1 7 MET HA 1 7 MET QG 3.557 . 3.557 2.486 2.208 2.934 . 0 0 "[ . 1 ]" 1
12 2 7 MET HA 2 7 MET QG 3.558 . 3.558 2.543 2.289 2.925 . 0 0 "[ . 1 ]" 1
13 1 9 GLN HA 1 9 GLN QG 3.492 . 4.492 2.356 2.272 2.418 . 0 0 "[ . 1 ]" 1
14 2 9 GLN HA 2 9 GLN QG 3.492 . 4.492 2.343 2.256 2.422 . 0 0 "[ . 1 ]" 1
15 1 9 GLN QE 1 9 GLN QG 2.846 . 4.846 2.271 2.115 2.394 . 0 0 "[ . 1 ]" 1
16 2 9 GLN QE 2 9 GLN QG 2.846 . 4.846 2.236 1.990 2.371 . 0 0 "[ . 1 ]" 1
17 1 10 PHE H 1 10 PHE QD 3.586 . 5.586 4.305 4.214 4.378 . 0 0 "[ . 1 ]" 1
18 2 10 PHE H 2 10 PHE QD 3.586 . 5.586 4.304 4.220 4.403 . 0 0 "[ . 1 ]" 1
19 1 11 ASN H 1 11 ASN QD 4.580 . 5.580 3.009 2.339 4.296 . 0 0 "[ . 1 ]" 1
20 2 11 ASN H 2 11 ASN QD 4.580 . 5.580 2.802 2.430 3.565 . 0 0 "[ . 1 ]" 1
21 1 12 LEU HA 1 12 LEU QD 3.925 . 3.925 2.296 2.099 3.341 . 0 0 "[ . 1 ]" 1
22 2 12 LEU HA 2 12 LEU QD 3.909 . 3.909 2.368 2.074 3.335 . 0 0 "[ . 1 ]" 1
23 1 12 LEU HA 1 12 LEU HG 4.036 . 4.036 2.923 2.712 3.688 . 0 0 "[ . 1 ]" 1
24 2 12 LEU HA 2 12 LEU HG 4.036 . 4.036 3.007 2.732 3.682 . 0 0 "[ . 1 ]" 1
25 1 12 LEU H 1 12 LEU QD 4.474 . 4.474 3.160 2.091 3.448 . 0 0 "[ . 1 ]" 1
26 2 12 LEU H 2 12 LEU QD 4.459 . 4.459 3.082 2.066 3.452 . 0 0 "[ . 1 ]" 1
27 1 12 LEU H 1 12 LEU HG 3.803 . 4.564 2.790 2.474 2.980 . 0 0 "[ . 1 ]" 1
28 2 12 LEU H 2 12 LEU HG 3.803 . 4.564 2.775 2.424 2.981 . 0 0 "[ . 1 ]" 1
29 1 13 ARG H 1 13 ARG QG 3.874 . 4.874 2.957 2.700 3.322 . 0 0 "[ . 1 ]" 1
30 2 13 ARG H 2 13 ARG QG 3.874 . 4.874 2.988 2.774 3.359 . 0 0 "[ . 1 ]" 1
31 1 14 TRP HA 1 14 TRP HD1 3.179 . 3.179 2.479 2.370 2.592 . 0 0 "[ . 1 ]" 1
32 2 14 TRP HA 2 14 TRP HD1 3.179 . 3.179 2.477 2.366 2.574 . 0 0 "[ . 1 ]" 1
33 1 14 TRP QB 1 14 TRP HZ3 3.959 . 4.959 4.390 4.336 4.422 . 0 0 "[ . 1 ]" 1
34 2 14 TRP QB 2 14 TRP HZ3 3.959 . 4.959 4.395 4.366 4.423 . 0 0 "[ . 1 ]" 1
35 1 14 TRP QB 1 14 TRP HE3 3.738 . 4.738 2.304 2.252 2.344 . 0 0 "[ . 1 ]" 1
36 2 14 TRP QB 2 14 TRP HE3 3.738 . 4.738 2.307 2.231 2.351 . 0 0 "[ . 1 ]" 1
37 1 14 TRP H 1 14 TRP QB 3.722 . 4.722 2.582 2.546 2.653 . 0 0 "[ . 1 ]" 1
38 2 14 TRP H 2 14 TRP QB 3.722 . 4.722 2.584 2.513 2.709 . 0 0 "[ . 1 ]" 1
39 1 14 TRP H 1 14 TRP HD1 3.822 . 4.586 3.622 3.421 3.886 . 0 0 "[ . 1 ]" 1
40 2 14 TRP H 2 14 TRP HD1 3.822 . 4.586 3.620 3.420 3.916 . 0 0 "[ . 1 ]" 1
41 1 16 ARG H 1 16 ARG QB 3.276 . 3.276 2.464 2.215 2.714 . 0 0 "[ . 1 ]" 1
42 2 16 ARG H 2 16 ARG QB 3.277 . 3.277 2.318 2.232 2.658 . 0 0 "[ . 1 ]" 1
43 1 17 GLU H 1 17 GLU QB 3.257 . 4.257 2.508 2.501 2.519 . 0 0 "[ . 1 ]" 1
44 2 17 GLU H 2 17 GLU QB 3.257 . 4.257 2.508 2.499 2.518 . 0 0 "[ . 1 ]" 1
45 1 17 GLU H 1 17 GLU QG 3.503 . 4.503 2.336 2.287 2.374 . 0 0 "[ . 1 ]" 1
46 2 17 GLU H 2 17 GLU QG 3.503 . 4.503 2.344 2.303 2.377 . 0 0 "[ . 1 ]" 1
47 1 19 LEU HA 1 19 LEU QD 3.791 . 3.791 2.164 1.984 3.333 . 0 0 "[ . 1 ]" 1
48 2 19 LEU HA 2 19 LEU QD 3.825 . 3.825 2.090 1.944 2.148 . 0 0 "[ . 1 ]" 1
49 1 19 LEU H 1 19 LEU QB 3.818 . 3.818 2.277 2.053 2.973 . 0 0 "[ . 1 ]" 1
50 2 19 LEU H 2 19 LEU QB 3.814 . 3.814 2.148 2.062 2.427 . 0 0 "[ . 1 ]" 1
51 1 19 LEU H 1 19 LEU QD 4.642 . 4.642 3.371 2.894 3.650 . 0 0 "[ . 1 ]" 1
52 2 19 LEU H 2 19 LEU QD 4.670 . 4.670 3.543 3.107 3.663 . 0 0 "[ . 1 ]" 1
53 1 20 ASP H 1 20 ASP QB 3.290 . 3.290 2.520 2.491 2.566 . 0 0 "[ . 1 ]" 1
54 2 20 ASP H 2 20 ASP QB 3.291 . 3.291 2.495 2.442 2.577 . 0 0 "[ . 1 ]" 1
55 1 21 LEU HA 1 21 LEU QD 3.597 . 3.597 2.217 2.001 2.923 . 0 0 "[ . 1 ]" 1
56 2 21 LEU HA 2 21 LEU QD 3.623 . 3.623 2.032 1.999 2.071 . 0 0 "[ . 1 ]" 1
57 1 21 LEU H 1 21 LEU QB 3.362 . 3.362 2.298 2.230 2.372 . 0 0 "[ . 1 ]" 1
58 2 21 LEU H 2 21 LEU QB 3.355 . 3.355 2.302 2.266 2.325 . 0 0 "[ . 1 ]" 1
59 1 22 VAL H 1 22 VAL HB 3.514 . 3.514 2.467 2.417 2.546 . 0 0 "[ . 1 ]" 1
60 2 22 VAL H 2 22 VAL HB 3.514 . 3.514 2.548 2.411 3.769 0.255 14 0 "[ . 1 ]" 1
61 1 23 ARG HA 1 23 ARG QD 3.766 . 4.766 2.500 2.075 4.060 . 0 0 "[ . 1 ]" 1
62 2 23 ARG HA 2 23 ARG QD 3.766 . 4.766 2.664 2.081 3.947 . 0 0 "[ . 1 ]" 1
63 1 23 ARG HA 1 23 ARG QG 3.457 . 3.457 3.012 2.400 3.166 . 0 0 "[ . 1 ]" 1
64 2 23 ARG HA 2 23 ARG QG 3.458 . 3.458 2.916 2.309 3.212 . 0 0 "[ . 1 ]" 1
65 1 23 ARG QB 1 23 ARG QD 3.292 . 5.292 2.807 2.225 3.011 . 0 0 "[ . 1 ]" 1
66 2 23 ARG QB 2 23 ARG QD 3.292 . 5.292 2.670 2.222 3.014 . 0 0 "[ . 1 ]" 1
67 1 23 ARG H 1 23 ARG QG 3.667 . 3.667 2.296 2.118 2.394 . 0 0 "[ . 1 ]" 1
68 2 23 ARG H 2 23 ARG QG 3.668 . 3.668 2.302 2.214 2.455 . 0 0 "[ . 1 ]" 1
69 1 24 LYS H 1 24 LYS QB 3.026 . 4.026 2.288 2.255 2.345 . 0 0 "[ . 1 ]" 1
70 2 24 LYS H 2 24 LYS QB 3.026 . 4.026 2.288 2.269 2.317 . 0 0 "[ . 1 ]" 1
71 1 25 VAL H 1 25 VAL QG 3.955 . 3.955 2.327 2.047 2.683 . 0 0 "[ . 1 ]" 1
72 2 25 VAL H 2 25 VAL QG 3.955 . 3.955 2.367 2.076 2.749 . 0 0 "[ . 1 ]" 1
73 1 27 GLU HA 1 27 GLU QG 3.488 . 4.488 2.449 2.343 2.926 . 0 0 "[ . 1 ]" 1
74 2 27 GLU HA 2 27 GLU QG 3.488 . 4.488 2.372 2.338 2.398 . 0 0 "[ . 1 ]" 1
75 1 27 GLU H 1 27 GLU QG 2.972 . 2.972 2.446 2.415 2.473 . 0 0 "[ . 1 ]" 1
76 2 27 GLU H 2 27 GLU QG 2.980 . 2.980 2.454 2.432 2.466 . 0 0 "[ . 1 ]" 1
77 1 28 GLU HA 1 28 GLU QB 2.664 . 2.664 2.402 2.394 2.409 . 0 0 "[ . 1 ]" 1
78 2 28 GLU HA 2 28 GLU QB 2.664 . 2.664 2.403 2.393 2.431 . 0 0 "[ . 1 ]" 1
79 1 28 GLU H 1 28 GLU QB 3.312 . 3.312 2.568 2.544 2.588 . 0 0 "[ . 1 ]" 1
80 2 28 GLU H 2 28 GLU QB 3.312 . 3.312 2.565 2.451 2.598 . 0 0 "[ . 1 ]" 1
81 1 28 GLU H 1 28 GLU QG 3.429 . 3.429 2.087 2.037 2.118 . 0 0 "[ . 1 ]" 1
82 2 28 GLU H 2 28 GLU QG 3.432 . 3.432 2.086 2.010 2.217 . 0 0 "[ . 1 ]" 1
83 1 29 ASN H 1 29 ASN QB 3.565 . 3.565 2.561 2.497 2.892 . 0 0 "[ . 1 ]" 1
84 2 29 ASN H 2 29 ASN QB 3.567 . 3.567 2.535 2.490 2.922 . 0 0 "[ . 1 ]" 1
85 1 29 ASN H 1 29 ASN QD 4.505 . 5.505 3.117 2.669 3.656 . 0 0 "[ . 1 ]" 1
86 2 29 ASN H 2 29 ASN QD 4.505 . 5.505 3.002 2.583 3.638 . 0 0 "[ . 1 ]" 1
87 1 33 VAL H 1 33 VAL QG 4.093 . 4.093 1.914 1.860 2.357 . 0 0 "[ . 1 ]" 1
88 2 33 VAL H 2 33 VAL QG 4.087 . 4.087 1.918 1.856 2.395 . 0 0 "[ . 1 ]" 1
89 1 34 ASN H 1 34 ASN QB 3.618 . 3.618 2.630 2.594 2.683 . 0 0 "[ . 1 ]" 1
90 2 34 ASN H 2 34 ASN QB 3.618 . 3.618 2.627 2.576 2.663 . 0 0 "[ . 1 ]" 1
91 1 36 TYR HA 1 36 TYR QD 3.876 . 5.876 2.305 2.248 2.396 . 0 0 "[ . 1 ]" 1
92 2 36 TYR HA 2 36 TYR QD 3.876 . 5.876 2.297 2.236 2.400 . 0 0 "[ . 1 ]" 1
93 1 36 TYR HA 1 36 TYR QE 3.142 . 5.142 4.453 4.319 4.595 . 0 0 "[ . 1 ]" 1
94 2 36 TYR HA 2 36 TYR QE 3.142 . 5.142 4.476 4.375 4.603 . 0 0 "[ . 1 ]" 1
95 1 36 TYR H 1 36 TYR QB 3.752 . 3.752 2.219 2.158 2.264 . 0 0 "[ . 1 ]" 1
96 2 36 TYR H 2 36 TYR QB 3.752 . 3.752 2.207 2.157 2.256 . 0 0 "[ . 1 ]" 1
97 1 37 ILE HA 1 37 ILE QG 3.410 . 4.410 2.428 2.331 2.479 . 0 0 "[ . 1 ]" 1
98 2 37 ILE HA 2 37 ILE QG 3.410 . 4.410 2.416 2.354 2.462 . 0 0 "[ . 1 ]" 1
99 1 37 ILE QG 1 37 ILE MG 2.837 . 4.137 2.055 2.046 2.062 . 0 0 "[ . 1 ]" 1
100 2 37 ILE QG 2 37 ILE MG 2.837 . 4.137 2.053 2.039 2.059 . 0 0 "[ . 1 ]" 1
101 1 37 ILE H 1 37 ILE HB 3.608 . 3.608 2.350 2.283 2.399 . 0 0 "[ . 1 ]" 1
102 2 37 ILE H 2 37 ILE HB 3.608 . 3.608 2.352 2.308 2.385 . 0 0 "[ . 1 ]" 1
103 1 37 ILE H 1 37 ILE QG 3.683 . 4.683 3.325 3.265 3.453 . 0 0 "[ . 1 ]" 1
104 2 37 ILE H 2 37 ILE QG 3.683 . 4.683 3.332 3.269 3.485 . 0 0 "[ . 1 ]" 1
105 1 37 ILE H 1 37 ILE MG 3.991 . 4.291 3.791 3.760 3.807 . 0 0 "[ . 1 ]" 1
106 2 37 ILE H 2 37 ILE MG 3.991 . 4.291 3.792 3.775 3.802 . 0 0 "[ . 1 ]" 1
107 1 38 TYR HA 1 38 TYR QD 3.311 . 5.311 2.855 2.602 3.082 . 0 0 "[ . 1 ]" 1
108 2 38 TYR HA 2 38 TYR QD 3.311 . 5.311 2.794 2.360 3.041 . 0 0 "[ . 1 ]" 1
109 1 38 TYR HA 1 38 TYR QE 3.869 . 5.869 4.704 4.623 4.813 . 0 0 "[ . 1 ]" 1
110 2 38 TYR HA 2 38 TYR QE 3.869 . 5.869 4.679 4.540 4.782 . 0 0 "[ . 1 ]" 1
111 1 38 TYR H 1 38 TYR QD 3.989 . 5.989 4.175 4.111 4.221 . 0 0 "[ . 1 ]" 1
112 2 38 TYR H 2 38 TYR QD 3.989 . 5.989 4.182 4.108 4.230 . 0 0 "[ . 1 ]" 1
113 1 39 GLN HA 1 39 GLN QG 3.494 . 4.494 2.980 2.845 3.059 . 0 0 "[ . 1 ]" 1
114 2 39 GLN HA 2 39 GLN QG 3.494 . 4.494 2.991 2.853 3.064 . 0 0 "[ . 1 ]" 1
115 1 40 LEU HA 1 40 LEU QD 3.493 . 3.493 2.041 1.988 2.124 . 0 0 "[ . 1 ]" 1
116 2 40 LEU HA 2 40 LEU QD 3.493 . 3.493 2.033 1.994 2.052 . 0 0 "[ . 1 ]" 1
117 1 40 LEU HA 1 40 LEU HG 3.750 . 3.750 3.223 3.148 3.292 . 0 0 "[ . 1 ]" 1
118 2 40 LEU HA 2 40 LEU HG 3.750 . 3.750 3.196 3.134 3.259 . 0 0 "[ . 1 ]" 1
119 1 40 LEU H 1 40 LEU QB 3.431 . 3.431 2.591 2.561 2.625 . 0 0 "[ . 1 ]" 1
120 2 40 LEU H 2 40 LEU QB 3.431 . 3.431 2.579 2.550 2.618 . 0 0 "[ . 1 ]" 1
121 1 40 LEU H 1 40 LEU QD 4.069 . 6.469 3.204 3.129 3.287 . 0 0 "[ . 1 ]" 1
122 2 40 LEU H 2 40 LEU QD 4.069 . 6.469 3.221 3.153 3.268 . 0 0 "[ . 1 ]" 1
123 1 40 LEU H 1 40 LEU HG 3.422 . 3.422 2.509 2.377 2.601 . 0 0 "[ . 1 ]" 1
124 2 40 LEU H 2 40 LEU HG 3.422 . 3.422 2.508 2.455 2.576 . 0 0 "[ . 1 ]" 1
125 1 41 VAL H 1 41 VAL QG 4.253 . 4.253 2.023 1.959 2.462 . 0 0 "[ . 1 ]" 1
126 2 41 VAL H 2 41 VAL QG 4.234 . 4.234 1.985 1.938 2.016 . 0 0 "[ . 1 ]" 1
127 1 42 MET H 1 42 MET HA 3.026 . 3.026 3.026 2.985 3.056 0.030 11 0 "[ . 1 ]" 1
128 2 42 MET H 2 42 MET HA 3.026 . 3.026 3.010 2.980 3.050 0.024 3 0 "[ . 1 ]" 1
129 1 42 MET H 1 42 MET QB 3.307 . 4.307 2.456 2.404 2.540 . 0 0 "[ . 1 ]" 1
130 2 42 MET H 2 42 MET QB 3.307 . 4.307 2.427 2.395 2.504 . 0 0 "[ . 1 ]" 1
131 1 42 MET H 1 42 MET QG 3.104 . 4.104 2.763 2.561 2.941 . 0 0 "[ . 1 ]" 1
132 2 42 MET H 2 42 MET QG 3.104 . 4.104 2.676 2.511 2.898 . 0 0 "[ . 1 ]" 1
133 1 43 GLU HA 1 43 GLU QG 3.252 . 3.252 2.472 2.309 3.314 0.062 8 0 "[ . 1 ]" 1
134 2 43 GLU HA 2 43 GLU QG 3.252 . 3.252 2.325 2.304 2.373 . 0 0 "[ . 1 ]" 1
135 1 44 SER H 1 44 SER QB 3.236 . 3.236 2.514 2.393 2.718 . 0 0 "[ . 1 ]" 1
136 2 44 SER H 2 44 SER QB 3.236 . 3.236 2.507 2.364 2.580 . 0 0 "[ . 1 ]" 1
137 1 45 PHE HA 1 45 PHE QD 2.916 . 4.916 2.688 2.089 3.236 . 0 0 "[ . 1 ]" 1
138 2 45 PHE HA 2 45 PHE QD 2.916 . 4.916 2.498 2.092 3.214 . 0 0 "[ . 1 ]" 1
139 1 45 PHE H 1 45 PHE QD 3.679 . 5.679 3.577 1.833 4.180 . 0 0 "[ . 1 ]" 1
140 2 45 PHE H 2 45 PHE QD 3.679 . 5.679 3.373 1.860 3.967 . 0 0 "[ . 1 ]" 1
141 1 46 LYS H 1 46 LYS HA 2.976 . 3.720 2.954 2.811 3.048 . 0 0 "[ . 1 ]" 1
142 2 46 LYS H 2 46 LYS HA 2.976 . 3.720 2.937 2.410 3.054 . 0 0 "[ . 1 ]" 1
143 1 47 LYS HA 1 47 LYS QD 3.218 . 4.218 2.030 1.671 3.817 0.129 14 0 "[ . 1 ]" 1
144 2 47 LYS HA 2 47 LYS QD 3.218 . 4.218 2.003 1.686 3.388 0.114 12 0 "[ . 1 ]" 1
145 1 47 LYS HA 1 47 LYS QE 2.978 . 3.978 3.642 3.468 3.962 . 0 0 "[ . 1 ]" 1
146 2 47 LYS HA 2 47 LYS QE 2.978 . 3.978 3.641 3.276 3.883 . 0 0 "[ . 1 ]" 1
147 1 47 LYS HA 1 47 LYS QG 3.096 . 4.096 2.471 1.982 2.938 . 0 0 "[ . 1 ]" 1
148 2 47 LYS HA 2 47 LYS QG 3.096 . 4.096 2.514 2.278 2.987 . 0 0 "[ . 1 ]" 1
149 1 48 GLU HA 1 48 GLU QG 3.083 . 3.083 2.517 2.195 3.275 0.192 5 0 "[ . 1 ]" 1
150 2 48 GLU HA 2 48 GLU QG 3.085 . 3.085 2.482 2.253 2.821 . 0 0 "[ . 1 ]" 1
151 1 48 GLU H 1 48 GLU QG 4.459 . 4.459 3.316 2.656 4.152 . 0 0 "[ . 1 ]" 1
152 2 48 GLU H 2 48 GLU QG 4.461 . 4.461 3.358 2.617 4.174 . 0 0 "[ . 1 ]" 1
153 1 50 ARG HA 1 50 ARG QB 2.764 . 2.764 2.426 2.197 2.592 . 0 0 "[ . 1 ]" 1
154 2 50 ARG HA 2 50 ARG QB 2.772 . 2.772 2.328 2.173 2.541 . 0 0 "[ . 1 ]" 1
155 1 50 ARG HA 1 50 ARG QD 3.857 . 4.857 3.237 2.228 4.100 . 0 0 "[ . 1 ]" 1
156 2 50 ARG HA 2 50 ARG QD 3.857 . 4.857 3.677 2.572 4.354 . 0 0 "[ . 1 ]" 1
157 1 50 ARG QB 1 50 ARG QD 2.705 . 4.705 2.556 2.079 3.014 . 0 0 "[ . 1 ]" 1
158 2 50 ARG QB 2 50 ARG QD 2.712 . 4.712 2.495 2.178 3.011 . 0 0 "[ . 1 ]" 1
159 1 50 ARG QB 1 50 ARG HE 3.382 . 4.382 3.282 2.185 4.133 . 0 0 "[ . 1 ]" 1
160 2 50 ARG QB 2 50 ARG HE 3.382 . 4.382 3.340 2.309 4.126 . 0 0 "[ . 1 ]" 1
161 1 50 ARG HE 1 50 ARG QG 3.292 . 4.292 2.700 2.261 3.315 . 0 0 "[ . 1 ]" 1
162 2 50 ARG HE 2 50 ARG QG 3.292 . 4.292 2.701 2.123 3.339 . 0 0 "[ . 1 ]" 1
163 1 51 ILE HA 1 51 ILE HB 2.982 . 2.982 2.411 2.342 2.452 . 0 0 "[ . 1 ]" 1
164 2 51 ILE HA 2 51 ILE HB 2.982 . 2.982 2.392 2.315 2.449 . 0 0 "[ . 1 ]" 1
165 1 51 ILE HA 1 51 ILE QG 3.654 . 4.654 2.990 2.509 3.168 . 0 0 "[ . 1 ]" 1
166 2 51 ILE HA 2 51 ILE QG 3.654 . 4.654 3.021 2.540 3.122 . 0 0 "[ . 1 ]" 1
167 1 51 ILE HA 1 51 ILE MG 3.233 . 3.533 3.257 3.250 3.263 . 0 0 "[ . 1 ]" 1
168 2 51 ILE HA 2 51 ILE MG 3.233 . 3.533 3.253 3.243 3.262 . 0 0 "[ . 1 ]" 1
169 1 51 ILE H 1 51 ILE HB 3.486 . 4.532 2.598 2.449 3.194 . 0 0 "[ . 1 ]" 1
170 2 51 ILE H 2 51 ILE HB 3.486 . 4.532 2.631 2.432 3.406 . 0 0 "[ . 1 ]" 1
171 1 51 ILE H 1 51 ILE QG 4.831 . 4.831 4.064 3.983 4.109 . 0 0 "[ . 1 ]" 1
172 2 51 ILE H 2 51 ILE QG 4.830 . 4.830 4.056 3.984 4.141 . 0 0 "[ . 1 ]" 1
173 1 51 ILE H 1 51 ILE MG 4.247 . 4.547 1.912 1.670 2.010 0.130 12 0 "[ . 1 ]" 1
174 2 51 ILE H 2 51 ILE MG 4.247 . 4.547 1.868 1.659 2.245 0.141 4 0 "[ . 1 ]" 1
175 1 52 GLY H 1 52 GLY QA 2.627 . 3.627 2.525 2.342 2.604 . 0 0 "[ . 1 ]" 1
176 2 52 GLY H 2 52 GLY QA 2.627 . 3.627 2.498 2.340 2.606 . 0 0 "[ . 1 ]" 1
177 1 2 LYS HA 1 3 GLY H 3.007 . 6.164 2.336 2.097 3.554 . 0 0 "[ . 1 ]" 1
178 2 2 LYS HA 2 3 GLY H 3.007 . 6.164 2.619 2.111 3.551 . 0 0 "[ . 1 ]" 1
179 1 3 GLY QA 1 4 MET H 2.612 . 3.612 2.321 2.109 2.720 . 0 0 "[ . 1 ]" 1
180 2 3 GLY QA 2 4 MET H 2.612 . 3.612 2.282 2.095 2.673 . 0 0 "[ . 1 ]" 1
181 1 3 GLY H 1 4 MET H 3.503 . 7.707 2.976 2.207 3.990 . 0 0 "[ . 1 ]" 1
182 2 3 GLY H 2 4 MET H 3.503 . 7.707 3.030 2.050 3.915 . 0 0 "[ . 1 ]" 1
183 1 4 MET HA 1 5 SER H 2.732 . 5.327 3.511 2.691 3.598 . 0 0 "[ . 1 ]" 1
184 2 4 MET HA 2 5 SER H 2.732 . 5.327 3.408 2.094 3.595 . 0 0 "[ . 1 ]" 1
185 1 4 MET QB 1 5 SER H 6.852 . 6.852 2.368 2.059 4.043 . 0 0 "[ . 1 ]" 1
186 2 4 MET QB 2 5 SER H 6.850 . 6.850 2.544 2.118 4.060 . 0 0 "[ . 1 ]" 1
187 1 4 MET H 1 5 SER H 2.750 . 6.050 2.258 1.781 2.572 0.019 3 0 "[ . 1 ]" 1
188 2 4 MET H 2 5 SER H 2.750 . 6.050 2.321 1.793 3.816 0.007 14 0 "[ . 1 ]" 1
189 1 5 SER HA 1 6 LYS H 2.636 . 4.877 3.343 2.149 3.590 . 0 0 "[ . 1 ]" 1
190 2 5 SER HA 2 6 LYS H 2.636 . 4.877 3.430 2.292 3.593 . 0 0 "[ . 1 ]" 1
191 1 7 MET HA 1 8 PRO QD 3.112 . 3.112 2.710 1.957 3.474 0.362 1 0 "[ . 1 ]" 1
192 2 7 MET HA 2 8 PRO QD 3.104 . 3.104 2.776 1.965 3.461 0.357 14 0 "[ . 1 ]" 1
193 1 9 GLN HA 1 10 PHE QD 3.967 . 5.967 5.703 5.674 5.749 . 0 0 "[ . 1 ]" 1
194 2 9 GLN HA 2 10 PHE QD 3.967 . 5.967 5.701 5.658 5.756 . 0 0 "[ . 1 ]" 1
195 1 9 GLN HA 1 10 PHE H 3.134 . 3.134 2.186 2.058 2.296 . 0 0 "[ . 1 ]" 1
196 2 9 GLN HA 2 10 PHE H 3.134 . 3.134 2.189 2.015 2.304 . 0 0 "[ . 1 ]" 1
197 1 9 GLN QB 1 10 PHE H 3.755 . 3.755 3.357 2.825 3.573 . 0 0 "[ . 1 ]" 1
198 2 9 GLN QB 2 10 PHE H 3.755 . 3.755 3.191 2.319 3.556 . 0 0 "[ . 1 ]" 1
199 1 9 GLN QG 1 10 PHE H 3.590 . 4.590 2.607 2.173 3.954 . 0 0 "[ . 1 ]" 1
200 2 9 GLN QG 2 10 PHE H 3.590 . 4.590 2.807 2.182 3.977 . 0 0 "[ . 1 ]" 1
201 1 10 PHE QB 1 11 ASN H 6.134 . 6.134 3.957 3.875 4.030 . 0 0 "[ . 1 ]" 1
202 2 10 PHE QB 2 11 ASN H 6.134 . 6.134 3.966 3.903 4.015 . 0 0 "[ . 1 ]" 1
203 1 11 ASN HA 1 12 LEU QD 4.880 . 7.280 4.192 3.665 4.443 . 0 0 "[ . 1 ]" 1
204 2 11 ASN HA 2 12 LEU QD 4.880 . 7.280 4.154 3.710 4.407 . 0 0 "[ . 1 ]" 1
205 1 11 ASN HA 1 12 LEU HG 4.068 . 4.068 3.774 3.547 4.032 . 0 0 "[ . 1 ]" 1
206 2 11 ASN HA 2 12 LEU HG 4.068 . 4.068 3.768 3.602 4.011 . 0 0 "[ . 1 ]" 1
207 1 11 ASN HA 1 12 LEU H 3.079 . 3.695 2.095 2.075 2.124 . 0 0 "[ . 1 ]" 1
208 2 11 ASN HA 2 12 LEU H 3.079 . 3.695 2.096 2.082 2.111 . 0 0 "[ . 1 ]" 1
209 1 12 LEU HA 1 13 ARG H 3.142 . 3.142 2.469 2.365 2.721 . 0 0 "[ . 1 ]" 1
210 2 12 LEU HA 2 13 ARG H 3.142 . 3.142 2.478 2.365 2.618 . 0 0 "[ . 1 ]" 1
211 1 13 ARG HA 1 14 TRP H 3.384 . 4.061 2.123 1.991 2.193 . 0 0 "[ . 1 ]" 1
212 2 13 ARG HA 2 14 TRP H 3.384 . 4.061 2.113 1.987 2.203 . 0 0 "[ . 1 ]" 1
213 1 13 ARG H 1 14 TRP HD1 3.884 . 3.884 2.985 2.646 3.584 . 0 0 "[ . 1 ]" 1
214 2 13 ARG H 2 14 TRP HD1 3.884 . 3.884 3.012 2.695 3.644 . 0 0 "[ . 1 ]" 1
215 1 13 ARG H 1 14 TRP H 3.628 . 4.354 3.819 3.683 4.157 . 0 0 "[ . 1 ]" 1
216 2 13 ARG H 2 14 TRP H 3.628 . 4.354 3.826 3.659 4.208 . 0 0 "[ . 1 ]" 1
217 1 15 PRO HA 1 16 ARG H 3.631 . 3.631 2.220 2.194 2.250 . 0 0 "[ . 1 ]" 1
218 2 15 PRO HA 2 16 ARG H 3.631 . 3.631 2.221 2.196 2.243 . 0 0 "[ . 1 ]" 1
219 1 16 ARG HA 1 17 GLU H 3.943 . 3.943 3.533 3.500 3.557 . 0 0 "[ . 1 ]" 1
220 2 16 ARG HA 2 17 GLU H 3.943 . 3.943 3.530 3.486 3.546 . 0 0 "[ . 1 ]" 1
221 1 16 ARG QB 1 17 GLU H 3.727 . 4.727 3.216 2.628 3.697 . 0 0 "[ . 1 ]" 1
222 2 16 ARG QB 2 17 GLU H 3.727 . 4.727 2.960 2.681 3.713 . 0 0 "[ . 1 ]" 1
223 1 16 ARG H 1 17 GLU H 4.055 . 4.055 2.862 2.785 2.918 . 0 0 "[ . 1 ]" 1
224 2 16 ARG H 2 17 GLU H 4.055 . 4.055 2.828 2.764 2.918 . 0 0 "[ . 1 ]" 1
225 1 17 GLU QB 1 18 VAL HA 3.262 . 4.262 3.912 3.886 3.934 . 0 0 "[ . 1 ]" 1
226 2 17 GLU QB 2 18 VAL HA 3.262 . 4.262 3.904 3.887 3.931 . 0 0 "[ . 1 ]" 1
227 1 17 GLU H 1 18 VAL QG 4.913 . 7.313 4.130 4.035 4.198 . 0 0 "[ . 1 ]" 1
228 2 17 GLU H 2 18 VAL QG 4.913 . 7.313 4.153 4.114 4.198 . 0 0 "[ . 1 ]" 1
229 1 17 GLU H 1 18 VAL H 3.841 . 3.841 2.637 2.594 2.691 . 0 0 "[ . 1 ]" 1
230 2 17 GLU H 2 18 VAL H 3.841 . 3.841 2.637 2.596 2.666 . 0 0 "[ . 1 ]" 1
231 1 18 VAL HA 1 19 LEU H 3.961 . 3.961 3.544 3.525 3.610 . 0 0 "[ . 1 ]" 1
232 2 18 VAL HA 2 19 LEU H 3.961 . 3.961 3.539 3.528 3.563 . 0 0 "[ . 1 ]" 1
233 1 18 VAL HB 1 19 LEU H 3.727 . 3.727 2.662 2.493 2.813 . 0 0 "[ . 1 ]" 1
234 2 18 VAL HB 2 19 LEU H 3.727 . 3.727 2.661 2.541 2.865 . 0 0 "[ . 1 ]" 1
235 1 18 VAL QG 1 19 LEU H 4.675 . 4.675 3.242 3.054 3.338 . 0 0 "[ . 1 ]" 1
236 2 18 VAL QG 2 19 LEU H 4.670 . 4.670 3.251 3.175 3.349 . 0 0 "[ . 1 ]" 1
237 1 18 VAL QG 1 19 LEU HA 4.812 . 7.212 3.521 3.354 3.673 . 0 0 "[ . 1 ]" 1
238 2 18 VAL QG 2 19 LEU HA 4.812 . 7.212 3.493 3.350 3.616 . 0 0 "[ . 1 ]" 1
239 1 18 VAL QG 1 19 LEU QD 5.458 . 10.258 4.038 3.577 4.338 . 0 0 "[ . 1 ]" 1
240 2 18 VAL QG 2 19 LEU QD 5.458 . 10.258 4.157 3.506 4.362 . 0 0 "[ . 1 ]" 1
241 1 18 VAL H 1 19 LEU H 3.434 . 3.434 2.626 2.549 2.755 . 0 0 "[ . 1 ]" 1
242 2 18 VAL H 2 19 LEU H 3.434 . 3.434 2.611 2.550 2.726 . 0 0 "[ . 1 ]" 1
243 1 19 LEU QD 1 20 ASP H 4.867 . 4.867 3.868 2.891 4.067 . 0 0 "[ . 1 ]" 1
244 2 19 LEU QD 2 20 ASP H 4.893 . 4.893 3.928 3.846 4.074 . 0 0 "[ . 1 ]" 1
245 1 19 LEU H 1 20 ASP H 3.712 . 3.712 2.627 2.559 2.715 . 0 0 "[ . 1 ]" 1
246 2 19 LEU H 2 20 ASP H 3.712 . 3.712 2.619 2.549 2.719 . 0 0 "[ . 1 ]" 1
247 1 20 ASP HA 1 21 LEU H 3.937 . 3.937 3.499 3.457 3.530 . 0 0 "[ . 1 ]" 1
248 2 20 ASP HA 2 21 LEU H 3.937 . 3.937 3.497 3.463 3.536 . 0 0 "[ . 1 ]" 1
249 1 20 ASP QB 1 21 LEU H 3.818 . 3.818 2.897 2.731 3.114 . 0 0 "[ . 1 ]" 1
250 2 20 ASP QB 2 21 LEU H 3.818 . 3.818 2.902 2.705 3.032 . 0 0 "[ . 1 ]" 1
251 1 20 ASP H 1 21 LEU QB 3.746 . 4.746 4.290 4.072 4.407 . 0 0 "[ . 1 ]" 1
252 2 20 ASP H 2 21 LEU QB 3.746 . 4.746 4.278 4.173 4.412 . 0 0 "[ . 1 ]" 1
253 1 20 ASP H 1 21 LEU H 3.544 . 3.544 2.457 2.244 2.660 . 0 0 "[ . 1 ]" 1
254 2 20 ASP H 2 21 LEU H 3.544 . 3.544 2.442 2.349 2.615 . 0 0 "[ . 1 ]" 1
255 1 21 LEU QD 1 22 VAL H 5.314 . 5.314 4.052 3.707 4.191 . 0 0 "[ . 1 ]" 1
256 2 21 LEU QD 2 22 VAL H 5.332 . 5.332 4.157 4.096 4.207 . 0 0 "[ . 1 ]" 1
257 1 21 LEU H 1 22 VAL H 3.634 . 3.634 2.412 2.310 2.509 . 0 0 "[ . 1 ]" 1
258 2 21 LEU H 2 22 VAL H 3.634 . 3.634 2.403 2.354 2.463 . 0 0 "[ . 1 ]" 1
259 1 23 ARG HA 1 24 LYS H 4.008 . 4.008 3.538 3.526 3.546 . 0 0 "[ . 1 ]" 1
260 2 23 ARG HA 2 24 LYS H 4.008 . 4.008 3.540 3.520 3.567 . 0 0 "[ . 1 ]" 1
261 1 23 ARG H 1 24 LYS H 3.707 . 3.707 2.507 2.383 2.565 . 0 0 "[ . 1 ]" 1
262 2 23 ARG H 2 24 LYS H 3.707 . 3.707 2.511 2.334 2.700 . 0 0 "[ . 1 ]" 1
263 1 24 LYS HA 1 25 VAL H 3.665 . 3.665 3.609 3.599 3.621 . 0 0 "[ . 1 ]" 1
264 2 24 LYS HA 2 25 VAL H 3.665 . 3.665 3.601 3.581 3.615 . 0 0 "[ . 1 ]" 1
265 1 24 LYS QB 1 25 VAL H 3.409 . 4.409 2.220 2.150 2.397 . 0 0 "[ . 1 ]" 1
266 2 24 LYS QB 2 25 VAL H 3.409 . 4.409 2.255 2.174 2.399 . 0 0 "[ . 1 ]" 1
267 1 24 LYS H 1 25 VAL H 3.682 . 3.682 2.783 2.704 2.932 . 0 0 "[ . 1 ]" 1
268 2 24 LYS H 2 25 VAL H 3.682 . 3.682 2.749 2.651 3.005 . 0 0 "[ . 1 ]" 1
269 1 25 VAL HA 1 26 ALA H 4.085 . 4.085 3.539 3.510 3.567 . 0 0 "[ . 1 ]" 1
270 2 25 VAL HA 2 26 ALA H 4.085 . 4.085 3.539 3.508 3.571 . 0 0 "[ . 1 ]" 1
271 1 25 VAL HB 1 26 ALA H 3.384 . 3.384 3.140 2.712 3.646 0.262 8 0 "[ . 1 ]" 1
272 2 25 VAL HB 2 26 ALA H 3.384 . 3.384 3.184 2.708 3.656 0.272 12 0 "[ . 1 ]" 1
273 1 25 VAL QG 1 26 ALA H 4.411 . 4.411 2.758 1.999 3.359 . 0 0 "[ . 1 ]" 1
274 2 25 VAL QG 2 26 ALA H 4.411 . 4.411 2.671 1.954 3.335 . 0 0 "[ . 1 ]" 1
275 1 25 VAL H 1 26 ALA H 3.298 . 3.298 2.849 2.784 2.901 . 0 0 "[ . 1 ]" 1
276 2 25 VAL H 2 26 ALA H 3.298 . 3.298 2.822 2.763 2.880 . 0 0 "[ . 1 ]" 1
277 1 26 ALA H 1 27 GLU H 3.671 . 3.671 2.734 2.657 2.814 . 0 0 "[ . 1 ]" 1
278 2 26 ALA H 2 27 GLU H 3.671 . 3.671 2.746 2.673 2.818 . 0 0 "[ . 1 ]" 1
279 1 27 GLU H 1 28 GLU H 3.179 . 3.179 2.558 2.516 2.597 . 0 0 "[ . 1 ]" 1
280 2 27 GLU H 2 28 GLU H 3.179 . 3.179 2.563 2.524 2.604 . 0 0 "[ . 1 ]" 1
281 1 28 GLU QB 1 29 ASN H 3.973 . 4.973 2.377 2.293 2.454 . 0 0 "[ . 1 ]" 1
282 2 28 GLU QB 2 29 ASN H 3.973 . 4.973 2.376 2.283 2.519 . 0 0 "[ . 1 ]" 1
283 1 28 GLU H 1 29 ASN H 3.439 . 3.439 2.742 2.661 2.830 . 0 0 "[ . 1 ]" 1
284 2 28 GLU H 2 29 ASN H 3.439 . 3.439 2.739 2.522 2.850 . 0 0 "[ . 1 ]" 1
285 1 31 MET HA 1 32 SER H 3.227 . 3.227 2.173 2.137 2.199 . 0 0 "[ . 1 ]" 1
286 2 31 MET HA 2 32 SER H 3.227 . 3.227 2.171 2.135 2.219 . 0 0 "[ . 1 ]" 1
287 1 33 VAL QG 1 34 ASN HA 4.771 . 7.171 3.475 3.140 3.611 . 0 0 "[ . 1 ]" 1
288 2 33 VAL QG 2 34 ASN HA 4.771 . 7.171 3.490 3.170 3.579 . 0 0 "[ . 1 ]" 1
289 1 33 VAL QG 1 34 ASN H 4.286 . 4.286 2.150 2.109 2.193 . 0 0 "[ . 1 ]" 1
290 2 33 VAL QG 2 34 ASN H 4.281 . 4.281 2.162 2.124 2.221 . 0 0 "[ . 1 ]" 1
291 1 33 VAL H 1 34 ASN H 3.828 . 3.828 2.861 2.771 3.013 . 0 0 "[ . 1 ]" 1
292 2 33 VAL H 2 34 ASN H 3.828 . 3.828 2.852 2.738 2.995 . 0 0 "[ . 1 ]" 1
293 1 35 SER HA 1 36 TYR H 3.804 . 3.804 3.476 3.444 3.502 . 0 0 "[ . 1 ]" 1
294 2 35 SER HA 2 36 TYR H 3.804 . 3.804 3.480 3.459 3.515 . 0 0 "[ . 1 ]" 1
295 1 35 SER QB 1 36 TYR HA 3.187 . 4.187 3.900 3.887 3.921 . 0 0 "[ . 1 ]" 1
296 2 35 SER QB 2 36 TYR HA 3.187 . 4.187 3.898 3.883 3.918 . 0 0 "[ . 1 ]" 1
297 1 35 SER H 1 36 TYR H 4.084 . 4.084 2.548 2.501 2.589 . 0 0 "[ . 1 ]" 1
298 2 35 SER H 2 36 TYR H 4.084 . 4.084 2.550 2.492 2.596 . 0 0 "[ . 1 ]" 1
299 1 36 TYR HA 1 37 ILE H 3.958 . 3.958 3.556 3.547 3.561 . 0 0 "[ . 1 ]" 1
300 2 36 TYR HA 2 37 ILE H 3.958 . 3.958 3.558 3.546 3.566 . 0 0 "[ . 1 ]" 1
301 1 36 TYR QB 1 37 ILE HB 3.938 . 4.938 4.271 4.223 4.322 . 0 0 "[ . 1 ]" 1
302 2 36 TYR QB 2 37 ILE HB 3.938 . 4.938 4.263 4.223 4.314 . 0 0 "[ . 1 ]" 1
303 1 36 TYR QD 1 37 ILE HB 3.656 . 5.656 4.888 4.614 5.103 . 0 0 "[ . 1 ]" 1
304 2 36 TYR QD 2 37 ILE HB 3.656 . 5.656 4.927 4.582 5.185 . 0 0 "[ . 1 ]" 1
305 1 36 TYR QE 1 37 ILE HA 3.822 . 5.822 4.737 4.548 4.885 . 0 0 "[ . 1 ]" 1
306 2 36 TYR QE 2 37 ILE HA 3.822 . 5.822 4.781 4.541 4.921 . 0 0 "[ . 1 ]" 1
307 1 36 TYR QE 1 37 ILE QG 2.945 . 5.945 3.847 3.614 4.247 . 0 0 "[ . 1 ]" 1
308 2 36 TYR QE 2 37 ILE QG 2.945 . 5.945 3.887 3.522 4.328 . 0 0 "[ . 1 ]" 1
309 1 36 TYR QE 1 37 ILE H 3.888 . 5.888 5.153 5.113 5.231 . 0 0 "[ . 1 ]" 1
310 2 36 TYR QE 2 37 ILE H 3.888 . 5.888 5.165 5.107 5.237 . 0 0 "[ . 1 ]" 1
311 1 36 TYR H 1 37 ILE H 4.022 . 4.022 2.722 2.657 2.786 . 0 0 "[ . 1 ]" 1
312 2 36 TYR H 2 37 ILE H 4.022 . 4.022 2.745 2.650 2.846 . 0 0 "[ . 1 ]" 1
313 1 37 ILE HB 1 38 TYR H 4.078 . 4.078 2.948 2.817 3.058 . 0 0 "[ . 1 ]" 1
314 2 37 ILE HB 2 38 TYR H 4.078 . 4.078 2.983 2.882 3.102 . 0 0 "[ . 1 ]" 1
315 1 37 ILE MG 1 38 TYR H 4.709 . 5.009 3.646 3.578 3.720 . 0 0 "[ . 1 ]" 1
316 2 37 ILE MG 2 38 TYR H 4.709 . 5.009 3.663 3.602 3.712 . 0 0 "[ . 1 ]" 1
317 1 37 ILE H 1 38 TYR H 4.038 . 4.038 2.350 2.307 2.393 . 0 0 "[ . 1 ]" 1
318 2 37 ILE H 2 38 TYR H 4.038 . 4.038 2.348 2.311 2.393 . 0 0 "[ . 1 ]" 1
319 1 38 TYR QD 1 39 GLN HA 3.754 . 5.754 3.525 3.160 4.113 . 0 0 "[ . 1 ]" 1
320 2 38 TYR QD 2 39 GLN HA 3.754 . 5.754 3.637 3.253 4.324 . 0 0 "[ . 1 ]" 1
321 1 38 TYR QD 1 39 GLN QB 4.031 . 7.031 3.693 3.194 4.536 . 0 0 "[ . 1 ]" 1
322 2 38 TYR QD 2 39 GLN QB 4.031 . 7.031 3.776 3.251 4.846 . 0 0 "[ . 1 ]" 1
323 1 38 TYR QE 1 39 GLN QB 4.052 . 7.052 5.150 4.877 5.536 . 0 0 "[ . 1 ]" 1
324 2 38 TYR QE 2 39 GLN QB 4.052 . 7.052 5.207 4.920 5.800 . 0 0 "[ . 1 ]" 1
325 1 38 TYR H 1 39 GLN H 3.592 . 3.592 2.331 2.274 2.376 . 0 0 "[ . 1 ]" 1
326 2 38 TYR H 2 39 GLN H 3.592 . 3.592 2.321 2.294 2.369 . 0 0 "[ . 1 ]" 1
327 1 39 GLN HA 1 40 LEU H 4.098 . 4.098 3.505 3.483 3.534 . 0 0 "[ . 1 ]" 1
328 2 39 GLN HA 2 40 LEU H 4.098 . 4.098 3.508 3.486 3.532 . 0 0 "[ . 1 ]" 1
329 1 39 GLN QE 1 40 LEU QD 4.664 . 8.064 4.718 4.637 4.781 . 0 0 "[ . 1 ]" 1
330 2 39 GLN QE 2 40 LEU QD 4.664 . 8.064 4.732 4.654 4.785 . 0 0 "[ . 1 ]" 1
331 1 39 GLN H 1 40 LEU H 3.424 . 3.424 2.404 2.369 2.442 . 0 0 "[ . 1 ]" 1
332 2 39 GLN H 2 40 LEU H 3.424 . 3.424 2.390 2.357 2.444 . 0 0 "[ . 1 ]" 1
333 1 40 LEU HA 1 41 VAL QG 3.541 . 5.941 4.512 4.492 4.527 . 0 0 "[ . 1 ]" 1
334 2 40 LEU HA 2 41 VAL QG 3.541 . 5.941 4.515 4.499 4.533 . 0 0 "[ . 1 ]" 1
335 1 40 LEU HA 1 41 VAL H 3.928 . 3.928 3.504 3.389 3.535 . 0 0 "[ . 1 ]" 1
336 2 40 LEU HA 2 41 VAL H 3.928 . 3.928 3.503 3.476 3.522 . 0 0 "[ . 1 ]" 1
337 1 40 LEU QB 1 41 VAL H 3.574 . 4.574 2.807 2.644 2.919 . 0 0 "[ . 1 ]" 1
338 2 40 LEU QB 2 41 VAL H 3.574 . 4.574 2.851 2.757 2.956 . 0 0 "[ . 1 ]" 1
339 1 40 LEU H 1 41 VAL H 3.215 . 3.215 2.379 2.235 2.452 . 0 0 "[ . 1 ]" 1
340 2 40 LEU H 2 41 VAL H 3.215 . 3.215 2.402 2.346 2.433 . 0 0 "[ . 1 ]" 1
341 1 41 VAL QG 1 42 MET H 4.660 . 4.660 2.714 2.426 3.597 . 0 0 "[ . 1 ]" 1
342 2 41 VAL QG 2 42 MET H 4.643 . 4.643 2.549 2.428 2.946 . 0 0 "[ . 1 ]" 1
343 1 41 VAL QG 1 42 MET QB 4.171 . 7.571 3.779 3.597 4.562 . 0 0 "[ . 1 ]" 1
344 2 41 VAL QG 2 42 MET QB 4.171 . 7.571 3.731 3.616 3.893 . 0 0 "[ . 1 ]" 1
345 1 42 MET QB 1 43 GLU HA 3.528 . 4.528 4.174 4.093 4.227 . 0 0 "[ . 1 ]" 1
346 2 42 MET QB 2 43 GLU HA 3.528 . 4.528 4.136 4.063 4.234 . 0 0 "[ . 1 ]" 1
347 1 42 MET QB 1 43 GLU H 3.684 . 4.684 3.049 2.796 3.199 . 0 0 "[ . 1 ]" 1
348 2 42 MET QB 2 43 GLU H 3.684 . 4.684 2.937 2.793 3.109 . 0 0 "[ . 1 ]" 1
349 1 43 GLU QB 1 44 SER H 3.474 . 4.474 3.143 2.804 3.815 . 0 0 "[ . 1 ]" 1
350 2 43 GLU QB 2 44 SER H 3.474 . 4.474 2.958 2.859 3.056 . 0 0 "[ . 1 ]" 1
351 1 43 GLU H 1 44 SER H 3.485 . 3.485 2.267 2.116 2.391 . 0 0 "[ . 1 ]" 1
352 2 43 GLU H 2 44 SER H 3.485 . 3.485 2.333 2.188 2.409 . 0 0 "[ . 1 ]" 1
353 1 44 SER H 1 45 PHE H 3.709 . 3.709 2.351 1.775 2.587 0.025 2 0 "[ . 1 ]" 1
354 2 44 SER H 2 45 PHE H 3.709 . 3.709 2.375 2.208 2.589 . 0 0 "[ . 1 ]" 1
355 1 47 LYS HA 1 48 GLU H 3.145 . 4.089 2.820 2.349 3.482 . 0 0 "[ . 1 ]" 1
356 2 47 LYS HA 2 48 GLU H 3.145 . 4.089 2.671 2.279 3.366 . 0 0 "[ . 1 ]" 1
357 1 47 LYS H 1 48 GLU QB 4.009 . 5.009 3.921 3.075 4.694 . 0 0 "[ . 1 ]" 1
358 2 47 LYS H 2 48 GLU QB 4.009 . 5.009 3.931 3.264 4.737 . 0 0 "[ . 1 ]" 1
359 1 49 GLY QA 1 50 ARG H 3.335 . 4.335 2.527 2.216 2.839 . 0 0 "[ . 1 ]" 1
360 2 49 GLY QA 2 50 ARG H 3.335 . 4.335 2.484 2.213 2.870 . 0 0 "[ . 1 ]" 1
361 1 49 GLY H 1 50 ARG QB 3.953 . 4.953 3.779 3.194 4.433 . 0 0 "[ . 1 ]" 1
362 2 49 GLY H 2 50 ARG QB 3.953 . 4.953 3.842 3.342 4.435 . 0 0 "[ . 1 ]" 1
363 1 50 ARG QB 1 51 ILE MG 4.251 . 4.251 2.613 1.547 3.009 0.253 13 0 "[ . 1 ]" 1
364 2 50 ARG QB 2 51 ILE MG 4.256 . 4.256 2.689 2.321 3.017 . 0 0 "[ . 1 ]" 1
365 1 50 ARG QB 1 51 ILE H 5.014 . 5.014 1.587 1.203 1.830 0.597 7 2 "[ .-+ 1 ]" 1
366 2 50 ARG QB 2 51 ILE H 5.018 . 5.018 1.797 1.202 3.263 0.598 9 1 "[ . +1 ]" 1
367 1 50 ARG H 1 51 ILE H 3.198 . 4.157 3.155 2.584 4.092 . 0 0 "[ . 1 ]" 1
368 2 50 ARG H 2 51 ILE H 3.198 . 4.157 3.076 2.570 3.791 . 0 0 "[ . 1 ]" 1
369 1 51 ILE HA 1 52 GLY H 2.533 . 4.559 3.575 3.543 3.601 . 0 0 "[ . 1 ]" 1
370 2 51 ILE HA 2 52 GLY H 2.533 . 4.559 3.577 3.546 3.596 . 0 0 "[ . 1 ]" 1
371 1 51 ILE HB 1 52 GLY H 3.031 . 5.456 3.975 3.915 4.047 . 0 0 "[ . 1 ]" 1
372 2 51 ILE HB 2 52 GLY H 3.031 . 5.456 3.997 3.910 4.132 . 0 0 "[ . 1 ]" 1
373 1 51 ILE QG 1 52 GLY QA 4.087 . 6.087 3.642 3.329 4.402 . 0 0 "[ . 1 ]" 1
374 2 51 ILE QG 2 52 GLY QA 4.087 . 6.087 3.575 3.383 4.271 . 0 0 "[ . 1 ]" 1
375 1 51 ILE MG 1 52 GLY H 3.638 . 3.938 2.010 1.739 2.245 0.061 9 0 "[ . 1 ]" 1
376 2 51 ILE MG 2 52 GLY H 3.638 . 3.938 1.998 1.782 2.260 0.018 11 0 "[ . 1 ]" 1
377 1 51 ILE H 1 52 GLY H 3.710 . 6.678 2.754 2.153 3.024 . 0 0 "[ . 1 ]" 1
378 2 51 ILE H 2 52 GLY H 3.710 . 6.678 2.763 1.994 3.002 . 0 0 "[ . 1 ]" 1
379 1 52 GLY QA 1 53 ALA H 2.892 . 3.892 2.179 2.095 2.307 . 0 0 "[ . 1 ]" 1
380 2 52 GLY QA 2 53 ALA H 2.892 . 3.892 2.204 2.081 2.391 . 0 0 "[ . 1 ]" 1
381 1 52 GLY H 1 53 ALA H 3.583 . 8.420 3.533 2.997 4.347 . 0 0 "[ . 1 ]" 1
382 2 52 GLY H 2 53 ALA H 3.583 . 8.420 3.377 2.947 4.010 . 0 0 "[ . 1 ]" 1
383 1 4 MET H 1 6 LYS HA 2.638 . 5.804 5.424 4.672 5.836 0.032 1 0 "[ . 1 ]" 1
384 2 4 MET H 2 6 LYS HA 2.638 . 5.804 5.623 5.249 5.891 0.087 14 0 "[ . 1 ]" 1
385 1 12 LEU QD 1 14 TRP HE1 4.750 . 4.750 2.132 1.768 2.283 0.032 1 0 "[ . 1 ]" 1
386 2 12 LEU QD 2 14 TRP HE1 4.736 . 4.736 2.138 1.813 2.335 . 0 0 "[ . 1 ]" 1
387 1 12 LEU QD 1 14 TRP HE3 4.427 . 6.827 4.703 3.981 4.915 . 0 0 "[ . 1 ]" 1
388 2 12 LEU QD 2 14 TRP HE3 4.427 . 6.827 4.635 3.907 4.909 . 0 0 "[ . 1 ]" 1
389 1 12 LEU QD 1 14 TRP HH2 4.045 . 6.445 3.181 3.061 3.294 . 0 0 "[ . 1 ]" 1
390 2 12 LEU QD 2 14 TRP HH2 4.045 . 6.445 3.191 3.011 3.305 . 0 0 "[ . 1 ]" 1
391 1 12 LEU QD 1 14 TRP HZ3 4.160 . 6.560 4.315 3.931 4.411 . 0 0 "[ . 1 ]" 1
392 2 12 LEU QD 2 14 TRP HZ3 4.160 . 6.560 4.283 3.796 4.422 . 0 0 "[ . 1 ]" 1
393 1 12 LEU H 1 14 TRP HE1 4.843 . 5.812 6.064 5.977 6.126 0.314 2 0 "[ . 1 ]" 1
394 2 12 LEU H 2 14 TRP HE1 4.843 . 5.812 6.066 5.982 6.136 0.324 4 0 "[ . 1 ]" 1
395 1 14 TRP QB 1 16 ARG HA 4.102 . 5.102 4.687 4.622 4.768 . 0 0 "[ . 1 ]" 1
396 2 14 TRP QB 2 16 ARG HA 4.102 . 5.102 4.675 4.644 4.762 . 0 0 "[ . 1 ]" 1
397 1 14 TRP HA 1 18 VAL HB 4.105 . 4.105 4.388 4.302 4.435 0.330 2 0 "[ . 1 ]" 1
398 2 14 TRP HA 2 18 VAL HB 4.105 . 4.105 4.404 4.294 4.472 0.367 9 0 "[ . 1 ]" 1
399 1 14 TRP HE3 1 18 VAL QG 3.749 . 6.149 3.120 2.788 3.378 . 0 0 "[ . 1 ]" 1
400 2 14 TRP HE3 2 18 VAL QG 3.749 . 6.149 3.198 2.836 3.414 . 0 0 "[ . 1 ]" 1
401 1 14 TRP HZ3 1 18 VAL QG 4.267 . 6.667 4.046 3.576 4.197 . 0 0 "[ . 1 ]" 1
402 2 14 TRP HZ3 2 18 VAL QG 4.267 . 6.667 4.117 3.703 4.232 . 0 0 "[ . 1 ]" 1
403 1 16 ARG HA 1 19 LEU QD 4.702 . 4.702 2.568 2.140 2.946 . 0 0 "[ . 1 ]" 1
404 2 16 ARG HA 2 19 LEU QD 4.729 . 4.729 2.801 2.138 3.002 . 0 0 "[ . 1 ]" 1
405 1 18 VAL HA 1 20 ASP H 4.033 . 4.033 4.221 4.024 4.307 0.274 14 0 "[ . 1 ]" 1
406 2 18 VAL HA 2 20 ASP H 4.033 . 4.033 4.258 4.156 4.400 0.367 7 0 "[ . 1 ]" 1
407 1 18 VAL HA 1 21 LEU QD 4.638 . 7.038 3.798 3.536 4.066 . 0 0 "[ . 1 ]" 1
408 2 18 VAL HA 2 21 LEU QD 4.638 . 7.038 3.740 3.490 4.031 . 0 0 "[ . 1 ]" 1
409 1 18 VAL QG 1 21 LEU QD 5.086 . 9.886 3.758 3.476 4.101 . 0 0 "[ . 1 ]" 1
410 2 18 VAL QG 2 21 LEU QD 5.086 . 9.886 3.727 3.435 3.947 . 0 0 "[ . 1 ]" 1
411 1 18 VAL QG 1 21 LEU H 4.607 . 7.007 4.369 4.284 4.530 . 0 0 "[ . 1 ]" 1
412 2 18 VAL QG 2 21 LEU H 4.607 . 7.007 4.381 4.282 4.444 . 0 0 "[ . 1 ]" 1
413 1 19 LEU HA 1 22 VAL QG 4.889 . 7.289 2.855 1.907 3.104 . 0 0 "[ . 1 ]" 1
414 2 19 LEU HA 2 22 VAL QG 4.889 . 7.289 2.784 1.918 2.939 . 0 0 "[ . 1 ]" 1
415 1 19 LEU QD 1 22 VAL QG 5.794 . 10.594 3.123 2.929 3.408 . 0 0 "[ . 1 ]" 1
416 2 19 LEU QD 2 22 VAL QG 5.816 . 10.616 2.916 2.363 3.103 . 0 0 "[ . 1 ]" 1
417 1 19 LEU QD 1 23 ARG QD 5.946 . 5.946 3.356 2.577 3.968 . 0 0 "[ . 1 ]" 1
418 2 19 LEU QD 2 23 ARG QD 5.968 . 5.968 3.428 2.382 4.034 . 0 0 "[ . 1 ]" 1
419 1 20 ASP HA 1 23 ARG QD 3.599 . 4.599 4.012 2.367 4.274 . 0 0 "[ . 1 ]" 1
420 2 20 ASP HA 2 23 ARG QD 3.599 . 4.599 3.744 2.237 4.248 . 0 0 "[ . 1 ]" 1
421 1 20 ASP HA 1 23 ARG H 3.841 . 3.841 3.162 2.949 3.528 . 0 0 "[ . 1 ]" 1
422 2 20 ASP HA 2 23 ARG H 3.841 . 3.841 3.063 2.802 3.286 . 0 0 "[ . 1 ]" 1
423 1 21 LEU HA 1 24 LYS H 3.850 . 3.850 2.802 2.662 3.108 . 0 0 "[ . 1 ]" 1
424 2 21 LEU HA 2 24 LYS H 3.850 . 3.850 2.767 2.703 2.870 . 0 0 "[ . 1 ]" 1
425 1 21 LEU QD 1 24 LYS QG 3.936 . 7.336 3.291 2.351 4.383 . 0 0 "[ . 1 ]" 1
426 2 21 LEU QD 2 24 LYS QG 3.936 . 7.336 3.213 2.635 3.610 . 0 0 "[ . 1 ]" 1
427 1 20 ASP H 1 23 ARG QG 3.954 . 4.954 4.089 3.891 4.450 . 0 0 "[ . 1 ]" 1
428 2 20 ASP H 2 23 ARG QG 3.954 . 4.954 4.073 3.866 4.291 . 0 0 "[ . 1 ]" 1
429 1 21 LEU HG 1 25 VAL QG 3.896 . 6.296 3.547 2.793 4.814 . 0 0 "[ . 1 ]" 1
430 2 21 LEU HG 2 25 VAL QG 3.896 . 6.296 3.464 2.804 4.197 . 0 0 "[ . 1 ]" 1
431 1 22 VAL HA 1 25 VAL HB 3.565 . 3.565 3.187 2.738 3.641 0.076 12 0 "[ . 1 ]" 1
432 2 22 VAL HA 2 25 VAL HB 3.565 . 3.565 3.216 2.792 3.685 0.120 5 0 "[ . 1 ]" 1
433 1 22 VAL HA 1 25 VAL QG 4.514 . 4.514 2.792 1.967 3.413 . 0 0 "[ . 1 ]" 1
434 2 22 VAL HA 2 25 VAL QG 4.514 . 4.514 2.677 1.964 3.349 . 0 0 "[ . 1 ]" 1
435 1 22 VAL QG 1 25 VAL H 4.562 . 6.962 4.602 4.516 4.727 . 0 0 "[ . 1 ]" 1
436 2 22 VAL QG 2 25 VAL H 4.562 . 6.962 4.592 4.522 4.675 . 0 0 "[ . 1 ]" 1
437 1 22 VAL QG 1 26 ALA H 4.466 . 6.866 4.088 3.845 4.183 . 0 0 "[ . 1 ]" 1
438 2 22 VAL QG 2 26 ALA H 4.466 . 6.866 4.116 3.908 4.683 . 0 0 "[ . 1 ]" 1
439 1 23 ARG HA 1 26 ALA H 4.087 . 4.087 3.677 3.363 3.926 . 0 0 "[ . 1 ]" 1
440 2 23 ARG HA 2 26 ALA H 4.087 . 4.087 3.684 3.381 4.102 0.015 3 0 "[ . 1 ]" 1
441 1 25 VAL HA 1 28 GLU QB 3.539 . 4.539 2.806 2.581 3.054 . 0 0 "[ . 1 ]" 1
442 2 25 VAL HA 2 28 GLU QB 3.539 . 4.539 2.846 2.702 3.051 . 0 0 "[ . 1 ]" 1
443 1 25 VAL HA 1 28 GLU QG 3.604 . 3.604 2.899 2.858 2.933 . 0 0 "[ . 1 ]" 1
444 2 25 VAL HA 2 28 GLU QG 3.607 . 3.607 2.925 2.847 3.273 . 0 0 "[ . 1 ]" 1
445 1 25 VAL HA 1 28 GLU H 3.782 . 3.782 3.385 3.258 3.516 . 0 0 "[ . 1 ]" 1
446 2 25 VAL HA 2 28 GLU H 3.782 . 3.782 3.417 3.326 3.789 0.007 3 0 "[ . 1 ]" 1
447 1 25 VAL QG 1 29 ASN QD 4.676 . 8.076 2.297 2.059 2.530 . 0 0 "[ . 1 ]" 1
448 2 25 VAL QG 2 29 ASN QD 4.676 . 8.076 2.264 2.091 2.533 . 0 0 "[ . 1 ]" 1
449 1 27 GLU QB 1 30 GLY H 3.932 . 4.932 4.500 4.466 4.529 . 0 0 "[ . 1 ]" 1
450 2 27 GLU QB 2 30 GLY H 3.932 . 4.932 4.498 4.431 4.530 . 0 0 "[ . 1 ]" 1
451 1 33 VAL HA 1 36 TYR QE 3.865 . 5.865 5.271 4.998 5.494 . 0 0 "[ . 1 ]" 1
452 2 33 VAL HA 2 36 TYR QE 3.865 . 5.865 5.234 4.987 5.466 . 0 0 "[ . 1 ]" 1
453 1 33 VAL QG 1 36 TYR QD 4.361 . 8.761 3.393 3.067 3.829 . 0 0 "[ . 1 ]" 1
454 2 33 VAL QG 2 36 TYR QD 4.361 . 8.761 3.339 2.785 3.757 . 0 0 "[ . 1 ]" 1
455 1 33 VAL QG 1 37 ILE HB 4.658 . 7.058 5.194 4.355 5.325 . 0 0 "[ . 1 ]" 1
456 2 33 VAL QG 2 37 ILE HB 4.658 . 7.058 5.210 4.428 5.350 . 0 0 "[ . 1 ]" 1
457 1 33 VAL QG 1 37 ILE H 4.955 . 7.355 4.684 3.907 4.866 . 0 0 "[ . 1 ]" 1
458 2 33 VAL QG 2 37 ILE H 4.955 . 7.355 4.706 3.955 4.825 . 0 0 "[ . 1 ]" 1
459 1 36 TYR HA 1 38 TYR H 3.918 . 3.918 4.080 4.037 4.124 0.206 9 0 "[ . 1 ]" 1
460 2 36 TYR HA 2 38 TYR H 3.918 . 3.918 4.075 4.037 4.104 0.186 6 0 "[ . 1 ]" 1
461 1 36 TYR QB 1 38 TYR H 3.736 . 4.736 4.134 4.102 4.169 . 0 0 "[ . 1 ]" 1
462 2 36 TYR QB 2 38 TYR H 3.736 . 4.736 4.123 4.092 4.158 . 0 0 "[ . 1 ]" 1
463 1 36 TYR QB 1 39 GLN H 4.098 . 5.098 4.730 4.691 4.789 . 0 0 "[ . 1 ]" 1
464 2 36 TYR QB 2 39 GLN H 4.098 . 5.098 4.741 4.703 4.792 . 0 0 "[ . 1 ]" 1
465 1 36 TYR QD 1 40 LEU QD 3.522 . 7.922 3.367 3.108 3.579 . 0 0 "[ . 1 ]" 1
466 2 36 TYR QD 2 40 LEU QD 3.522 . 7.922 3.349 3.194 3.516 . 0 0 "[ . 1 ]" 1
467 1 36 TYR QE 1 40 LEU QD 3.860 . 8.260 2.372 2.084 2.644 . 0 0 "[ . 1 ]" 1
468 2 36 TYR QE 2 40 LEU QD 3.860 . 8.260 2.375 2.115 2.634 . 0 0 "[ . 1 ]" 1
469 1 37 ILE HA 1 40 LEU QD 4.139 . 4.139 2.578 2.369 2.769 . 0 0 "[ . 1 ]" 1
470 2 37 ILE HA 2 40 LEU QD 4.139 . 4.139 2.531 2.324 2.723 . 0 0 "[ . 1 ]" 1
471 1 37 ILE HA 1 40 LEU H 4.068 . 4.068 2.674 2.573 2.752 . 0 0 "[ . 1 ]" 1
472 2 37 ILE HA 2 40 LEU H 4.068 . 4.068 2.639 2.548 2.715 . 0 0 "[ . 1 ]" 1
473 1 37 ILE HB 1 40 LEU H 4.675 . 4.675 5.011 4.987 5.047 0.372 11 0 "[ . 1 ]" 1
474 2 37 ILE HB 2 40 LEU H 4.675 . 4.675 5.001 4.969 5.028 0.353 6 0 "[ . 1 ]" 1
475 1 37 ILE MG 1 40 LEU QD 3.880 . 6.580 3.272 2.860 3.543 . 0 0 "[ . 1 ]" 1
476 2 37 ILE MG 2 40 LEU QD 3.880 . 6.580 3.255 2.977 3.517 . 0 0 "[ . 1 ]" 1
477 1 37 ILE MG 1 40 LEU H 4.631 . 4.931 3.953 3.911 4.004 . 0 0 "[ . 1 ]" 1
478 2 37 ILE MG 2 40 LEU H 4.631 . 4.931 3.933 3.874 3.984 . 0 0 "[ . 1 ]" 1
479 1 37 ILE QG 1 41 VAL QG 3.948 . 7.348 4.561 4.306 4.821 . 0 0 "[ . 1 ]" 1
480 2 37 ILE QG 2 41 VAL QG 3.948 . 7.348 4.598 4.288 4.839 . 0 0 "[ . 1 ]" 1
481 1 37 ILE MG 1 41 VAL QG 4.121 . 6.821 2.451 2.190 2.663 . 0 0 "[ . 1 ]" 1
482 2 37 ILE MG 2 41 VAL QG 4.121 . 6.821 2.484 2.210 2.704 . 0 0 "[ . 1 ]" 1
483 1 39 GLN HA 1 42 MET QG 3.706 . 4.706 3.378 2.659 3.666 . 0 0 "[ . 1 ]" 1
484 2 39 GLN HA 2 42 MET QG 3.706 . 4.706 3.238 2.776 3.527 . 0 0 "[ . 1 ]" 1
485 1 39 GLN HA 1 42 MET H 3.838 . 3.838 3.157 3.069 3.280 . 0 0 "[ . 1 ]" 1
486 2 39 GLN HA 2 42 MET H 3.838 . 3.838 3.165 3.084 3.330 . 0 0 "[ . 1 ]" 1
487 1 39 GLN QB 1 42 MET H 4.048 . 5.048 4.753 4.640 4.884 . 0 0 "[ . 1 ]" 1
488 2 39 GLN QB 2 42 MET H 4.048 . 5.048 4.774 4.645 4.845 . 0 0 "[ . 1 ]" 1
489 1 39 GLN QE 1 43 GLU QG 3.834 . 5.834 2.700 2.229 3.816 . 0 0 "[ . 1 ]" 1
490 2 39 GLN QE 2 43 GLU QG 3.834 . 5.834 2.637 2.294 3.293 . 0 0 "[ . 1 ]" 1
491 1 40 LEU HA 1 43 GLU H 4.008 . 4.008 3.010 2.836 3.217 . 0 0 "[ . 1 ]" 1
492 2 40 LEU HA 2 43 GLU H 4.008 . 4.008 2.967 2.831 3.055 . 0 0 "[ . 1 ]" 1
493 1 40 LEU QD 1 44 SER H 4.556 . 6.956 5.004 4.810 5.091 . 0 0 "[ . 1 ]" 1
494 2 40 LEU QD 2 44 SER H 4.556 . 6.956 5.009 4.924 5.091 . 0 0 "[ . 1 ]" 1
495 1 41 VAL HA 1 44 SER QB 3.821 . 3.821 2.997 2.348 3.251 . 0 0 "[ . 1 ]" 1
496 2 41 VAL HA 2 44 SER QB 3.821 . 3.821 2.767 2.379 3.126 . 0 0 "[ . 1 ]" 1
497 1 41 VAL QG 1 45 PHE QD 6.330 . 6.330 3.049 2.735 3.579 . 0 0 "[ . 1 ]" 1
498 2 41 VAL QG 2 45 PHE QD 6.318 . 6.318 3.337 2.728 3.872 . 0 0 "[ . 1 ]" 1
499 1 41 VAL QG 1 45 PHE QE 6.711 . 6.711 3.282 2.358 3.751 . 0 0 "[ . 1 ]" 1
500 2 41 VAL QG 2 45 PHE QE 6.699 . 6.699 3.246 2.768 3.625 . 0 0 "[ . 1 ]" 1
501 1 42 MET H 1 44 SER H 3.976 . 3.976 3.722 3.482 4.014 0.038 14 0 "[ . 1 ]" 1
502 2 42 MET H 2 44 SER H 3.976 . 3.976 3.751 3.489 3.870 . 0 0 "[ . 1 ]" 1
503 1 42 MET HA 1 45 PHE QD 3.346 . 5.346 3.868 2.832 4.485 . 0 0 "[ . 1 ]" 1
504 2 42 MET HA 2 45 PHE QD 3.346 . 5.346 3.645 2.766 4.383 . 0 0 "[ . 1 ]" 1
505 1 42 MET ME 1 45 PHE QD 4.195 . 6.495 3.273 1.892 4.540 . 0 0 "[ . 1 ]" 1
506 2 42 MET ME 2 45 PHE QD 4.195 . 6.495 2.784 1.828 4.037 . 0 0 "[ . 1 ]" 1
507 1 42 MET ME 1 45 PHE QE 4.372 . 6.672 3.544 2.255 5.124 . 0 0 "[ . 1 ]" 1
508 2 42 MET ME 2 45 PHE QE 4.372 . 6.672 3.576 2.367 5.145 . 0 0 "[ . 1 ]" 1
509 1 42 MET QG 1 45 PHE QD 3.120 . 6.120 4.165 3.446 4.823 . 0 0 "[ . 1 ]" 1
510 2 42 MET QG 2 45 PHE QD 3.120 . 6.120 4.066 3.436 4.793 . 0 0 "[ . 1 ]" 1
511 1 43 GLU HA 1 46 LYS QB 3.174 . 4.174 3.486 2.776 3.771 . 0 0 "[ . 1 ]" 1
512 2 43 GLU HA 2 46 LYS QB 3.174 . 4.174 3.284 2.712 3.774 . 0 0 "[ . 1 ]" 1
513 1 47 LYS HA 1 50 ARG HE 3.143 . 4.400 3.742 1.894 4.796 0.396 10 0 "[ . 1 ]" 1
514 2 47 LYS HA 2 50 ARG HE 3.143 . 4.400 3.398 1.771 4.854 0.454 6 0 "[ . 1 ]" 1
515 1 48 GLU QB 1 50 ARG HE 5.485 . 5.485 3.960 2.257 5.115 . 0 0 "[ . 1 ]" 1
516 2 48 GLU QB 2 50 ARG HE 5.485 . 5.485 3.737 1.909 5.122 . 0 0 "[ . 1 ]" 1
517 1 50 ARG H 1 53 ALA H 3.810 . 8.953 5.115 3.697 7.424 . 0 0 "[ . 1 ]" 1
518 2 50 ARG H 2 53 ALA H 3.810 . 8.953 4.664 3.052 5.756 . 0 0 "[ . 1 ]" 1
519 2 37 ILE HB 2 41 VAL QG 4.825 . 7.225 4.471 4.270 4.647 . 0 0 "[ . 1 ]" 1
520 1 37 ILE HB 1 41 VAL QG 4.825 . 7.225 4.443 4.316 4.607 . 0 0 "[ . 1 ]" 1
521 1 9 GLN QG 2 11 ASN QD 4.537 . 6.537 4.614 4.308 5.271 . 0 0 "[ . 1 ]" 1
522 1 11 ASN QD 2 9 GLN QG 4.537 . 6.537 4.386 2.115 5.255 . 0 0 "[ . 1 ]" 1
523 1 10 PHE QE 2 22 VAL QG 4.418 . 8.818 3.334 3.136 3.691 . 0 0 "[ . 1 ]" 1
524 1 22 VAL QG 2 10 PHE QE 4.418 . 8.818 3.338 3.133 3.609 . 0 0 "[ . 1 ]" 1
525 1 10 PHE QD 2 37 ILE QG 3.674 . 6.674 4.310 3.870 4.585 . 0 0 "[ . 1 ]" 1
526 1 37 ILE QG 2 10 PHE QD 3.674 . 6.674 4.269 3.839 4.668 . 0 0 "[ . 1 ]" 1
527 1 10 PHE QE 2 37 ILE QG 3.353 . 6.353 2.515 2.219 2.770 . 0 0 "[ . 1 ]" 1
528 1 37 ILE QG 2 10 PHE QE 3.353 . 6.353 2.459 2.229 2.818 . 0 0 "[ . 1 ]" 1
529 1 12 LEU QD 2 10 PHE QD 5.924 . 5.924 2.081 2.012 2.137 . 0 0 "[ . 1 ]" 1
530 1 10 PHE QD 2 12 LEU QD 5.913 . 5.913 2.104 1.992 2.177 . 0 0 "[ . 1 ]" 1
531 1 12 LEU HG 2 10 PHE QD 3.709 . 5.709 4.327 4.014 4.449 . 0 0 "[ . 1 ]" 1
532 1 10 PHE QD 2 12 LEU HG 3.709 . 5.709 4.379 4.250 4.525 . 0 0 "[ . 1 ]" 1
533 1 12 LEU H 2 10 PHE H 3.773 . 4.528 2.367 2.152 2.710 . 0 0 "[ . 1 ]" 1
534 1 10 PHE H 2 12 LEU H 3.773 . 4.528 2.410 2.155 2.714 . 0 0 "[ . 1 ]" 1
535 1 12 LEU QD 2 34 ASN HA 3.858 . 6.258 2.013 1.898 2.706 . 0 0 "[ . 1 ]" 1
536 1 34 ASN HA 2 12 LEU QD 3.858 . 6.258 2.067 1.898 2.694 . 0 0 "[ . 1 ]" 1
537 1 12 LEU QD 2 37 ILE HB 4.682 . 7.082 2.411 2.120 2.667 . 0 0 "[ . 1 ]" 1
538 1 37 ILE HB 2 12 LEU QD 4.682 . 7.082 2.416 2.249 2.712 . 0 0 "[ . 1 ]" 1
539 1 12 LEU QD 2 37 ILE QG 3.584 . 6.984 3.084 2.818 3.417 . 0 0 "[ . 1 ]" 1
540 1 37 ILE QG 2 12 LEU QD 3.584 . 6.984 3.078 2.751 3.414 . 0 0 "[ . 1 ]" 1
541 1 12 LEU QD 2 37 ILE MG 4.496 . 7.196 2.377 2.157 2.541 . 0 0 "[ . 1 ]" 1
542 1 37 ILE MG 2 12 LEU QD 4.496 . 7.196 2.355 2.182 2.624 . 0 0 "[ . 1 ]" 1
543 1 14 TRP HE3 1 19 LEU HA 3.767 . 3.767 2.781 2.274 3.463 . 0 0 "[ . 1 ]" 1
544 2 14 TRP HE3 2 19 LEU HA 3.767 . 3.767 2.693 2.239 3.462 . 0 0 "[ . 1 ]" 1
545 1 14 TRP HE3 1 19 LEU QD 4.129 . 4.129 2.243 1.940 2.555 . 0 0 "[ . 1 ]" 1
546 2 14 TRP HE3 2 19 LEU QD 4.160 . 4.160 2.400 1.979 2.661 . 0 0 "[ . 1 ]" 1
547 1 14 TRP HE3 1 22 VAL QG 4.177 . 6.577 3.374 3.220 3.925 . 0 0 "[ . 1 ]" 1
548 2 14 TRP HE3 2 22 VAL QG 4.177 . 6.577 3.303 3.124 3.514 . 0 0 "[ . 1 ]" 1
549 1 14 TRP HZ3 1 22 VAL QG 3.899 . 3.899 2.085 1.978 2.301 . 0 0 "[ . 1 ]" 1
550 2 14 TRP HZ3 2 22 VAL QG 3.876 . 3.876 2.041 1.978 2.152 . 0 0 "[ . 1 ]" 1
551 1 14 TRP HZ3 1 19 LEU QD 4.628 . 4.628 2.709 2.461 3.436 . 0 0 "[ . 1 ]" 1
552 2 14 TRP HZ3 2 19 LEU QD 4.655 . 4.655 2.735 2.544 2.849 . 0 0 "[ . 1 ]" 1
553 1 14 TRP HZ3 1 37 ILE QG 3.254 . 4.254 3.772 3.640 3.864 . 0 0 "[ . 1 ]" 1
554 2 14 TRP HZ3 2 37 ILE QG 3.254 . 4.254 3.750 3.639 3.846 . 0 0 "[ . 1 ]" 1
555 1 19 LEU QD 2 8 PRO QB 4.900 . 4.900 2.485 2.161 2.783 . 0 0 "[ . 1 ]" 1
556 1 8 PRO QB 2 19 LEU QD 4.927 . 4.927 2.582 2.147 2.757 . 0 0 "[ . 1 ]" 1
557 1 19 LEU QD 2 8 PRO QG 4.638 . 8.038 3.913 3.538 4.369 . 0 0 "[ . 1 ]" 1
558 1 8 PRO QG 2 19 LEU QD 4.638 . 8.038 4.043 3.509 4.377 . 0 0 "[ . 1 ]" 1
559 1 19 LEU QD 2 10 PHE QD 5.964 . 5.964 2.617 2.396 2.921 . 0 0 "[ . 1 ]" 1
560 1 10 PHE QD 2 19 LEU QD 5.964 . 5.964 2.613 2.426 2.822 . 0 0 "[ . 1 ]" 1
561 1 19 LEU QD 2 10 PHE QE 6.466 . 6.466 3.465 3.083 3.935 . 0 0 "[ . 1 ]" 1
562 1 10 PHE QE 2 19 LEU QD 6.465 . 6.465 3.318 2.938 3.744 . 0 0 "[ . 1 ]" 1
563 1 22 VAL HA 1 36 TYR QD 4.079 . 6.079 4.756 4.598 5.031 . 0 0 "[ . 1 ]" 1
564 2 22 VAL HA 2 36 TYR QD 4.079 . 6.079 4.794 4.632 5.109 . 0 0 "[ . 1 ]" 1
565 1 22 VAL QG 1 36 TYR QD 4.297 . 8.697 2.630 2.282 3.026 . 0 0 "[ . 1 ]" 1
566 2 22 VAL QG 2 36 TYR QD 4.297 . 8.697 2.760 2.382 4.015 . 0 0 "[ . 1 ]" 1
567 1 25 VAL QG 1 36 TYR QD 6.197 . 6.197 3.787 3.431 4.002 . 0 0 "[ . 1 ]" 1
568 2 25 VAL QG 2 36 TYR QD 6.196 . 6.196 3.759 3.371 3.990 . 0 0 "[ . 1 ]" 1
569 1 25 VAL QG 1 36 TYR QE 4.153 . 8.553 2.662 2.230 2.988 . 0 0 "[ . 1 ]" 1
570 2 25 VAL QG 2 36 TYR QE 4.153 . 8.553 2.629 2.254 2.933 . 0 0 "[ . 1 ]" 1
571 1 38 TYR QD 2 14 TRP HE1 3.991 . 5.991 4.084 3.708 4.561 . 0 0 "[ . 1 ]" 1
572 1 14 TRP HE1 2 38 TYR QD 3.991 . 5.991 4.157 3.694 4.809 . 0 0 "[ . 1 ]" 1
573 1 38 TYR QD 2 18 VAL QG 6.534 . 6.534 2.719 2.268 3.048 . 0 0 "[ . 1 ]" 1
574 1 18 VAL QG 2 38 TYR QD 6.537 . 6.537 2.629 1.993 3.030 . 0 0 "[ . 1 ]" 1
575 1 38 TYR QE 2 18 VAL HB 3.755 . 5.755 3.382 2.985 4.003 . 0 0 "[ . 1 ]" 1
576 1 18 VAL HB 2 38 TYR QE 3.755 . 5.755 3.447 2.775 4.343 . 0 0 "[ . 1 ]" 1
577 1 38 TYR QE 2 18 VAL QG 5.861 . 5.861 1.929 1.876 2.034 . 0 0 "[ . 1 ]" 1
578 1 18 VAL QG 2 38 TYR QE 5.864 . 5.864 1.930 1.868 2.026 . 0 0 "[ . 1 ]" 1
579 1 45 PHE QD 1 50 ARG QB 3.467 . 6.467 3.732 2.583 4.379 . 0 0 "[ . 1 ]" 1
580 2 45 PHE QD 2 50 ARG QB 3.467 . 6.467 3.184 1.420 4.051 0.380 10 0 "[ . 1 ]" 1
581 1 45 PHE QB 1 51 ILE MG 4.788 . 4.788 2.649 2.058 3.233 . 0 0 "[ . 1 ]" 1
582 2 45 PHE QB 2 51 ILE MG 4.795 . 4.795 2.750 2.059 3.167 . 0 0 "[ . 1 ]" 1
583 1 45 PHE QB 1 51 ILE HB 2.968 . 3.968 3.312 3.037 3.644 . 0 0 "[ . 1 ]" 1
584 2 45 PHE QB 2 51 ILE HB 2.968 . 3.968 3.206 2.535 3.621 . 0 0 "[ . 1 ]" 1
585 1 45 PHE QD 2 18 VAL QG 4.055 . 8.455 4.585 3.453 5.115 . 0 0 "[ . 1 ]" 1
586 1 18 VAL QG 2 45 PHE QD 4.055 . 8.455 4.371 3.195 4.939 . 0 0 "[ . 1 ]" 1
587 1 45 PHE QE 2 18 VAL QG 4.717 . 9.117 3.616 2.768 5.199 . 0 0 "[ . 1 ]" 1
588 1 18 VAL QG 2 45 PHE QE 4.717 . 9.117 3.567 2.874 5.058 . 0 0 "[ . 1 ]" 1
589 1 45 PHE QD 2 21 LEU QD 3.529 . 7.929 3.799 2.221 4.557 . 0 0 "[ . 1 ]" 1
590 1 21 LEU QD 2 45 PHE QD 3.529 . 7.929 3.347 2.232 4.515 . 0 0 "[ . 1 ]" 1
591 1 45 PHE QE 2 21 LEU QD 4.391 . 8.791 2.861 2.504 3.240 . 0 0 "[ . 1 ]" 1
592 1 21 LEU QD 2 45 PHE QE 4.391 . 8.791 2.872 2.737 3.287 . 0 0 "[ . 1 ]" 1
593 1 45 PHE QD 2 22 VAL HA 3.622 . 5.622 4.638 4.124 5.369 . 0 0 "[ . 1 ]" 1
594 1 22 VAL HA 2 45 PHE QD 3.622 . 5.622 4.867 4.337 5.368 . 0 0 "[ . 1 ]" 1
595 1 45 PHE QD 2 22 VAL QG 4.378 . 8.778 3.238 2.661 4.087 . 0 0 "[ . 1 ]" 1
596 1 22 VAL QG 2 45 PHE QD 4.378 . 8.778 3.549 2.713 4.608 . 0 0 "[ . 1 ]" 1
597 1 45 PHE QE 2 22 VAL HA 3.121 . 5.121 3.369 2.604 3.842 . 0 0 "[ . 1 ]" 1
598 1 22 VAL HA 2 45 PHE QE 3.121 . 5.121 3.363 2.533 3.709 . 0 0 "[ . 1 ]" 1
599 1 45 PHE QE 2 22 VAL QG 4.159 . 8.559 2.246 2.007 2.870 . 0 0 "[ . 1 ]" 1
600 1 22 VAL QG 2 45 PHE QE 4.159 . 8.559 2.217 1.986 2.866 . 0 0 "[ . 1 ]" 1
601 1 45 PHE QE 2 22 VAL H 3.971 . 5.971 4.096 3.847 4.450 . 0 0 "[ . 1 ]" 1
602 1 22 VAL H 2 45 PHE QE 3.971 . 5.971 4.029 3.583 4.388 . 0 0 "[ . 1 ]" 1
603 1 45 PHE QD 2 25 VAL QG 3.403 . 7.803 2.952 2.341 3.702 . 0 0 "[ . 1 ]" 1
604 1 25 VAL QG 2 45 PHE QD 3.403 . 7.803 3.031 2.393 3.708 . 0 0 "[ . 1 ]" 1
605 1 45 PHE QE 2 25 VAL QG 6.143 . 6.143 2.588 1.937 3.115 . 0 0 "[ . 1 ]" 1
606 1 25 VAL QG 2 45 PHE QE 6.143 . 6.143 2.287 1.895 3.034 . 0 0 "[ . 1 ]" 1
607 1 45 PHE QD 2 40 LEU QD 4.268 . 8.668 3.716 2.876 5.252 . 0 0 "[ . 1 ]" 1
608 1 40 LEU QD 2 45 PHE QD 4.268 . 8.668 3.946 2.885 5.114 . 0 0 "[ . 1 ]" 1
609 2 22 VAL QG 2 36 TYR QE 4.130 . 8.530 2.287 2.009 3.124 . 0 0 "[ . 1 ]" 1
610 1 22 VAL QG 1 36 TYR QE 4.130 . 8.530 2.236 2.040 2.537 . 0 0 "[ . 1 ]" 1
611 1 5 SER H 1 5 SER QB 2.720 . 3.720 2.681 2.337 3.366 . 0 0 "[ . 1 ]" 1
612 2 5 SER H 2 5 SER QB 2.720 . 3.720 2.727 2.333 3.536 . 0 0 "[ . 1 ]" 1
613 1 6 LYS H 1 6 LYS QE 4.564 . 5.564 4.504 4.123 5.017 . 0 0 "[ . 1 ]" 1
614 2 6 LYS H 2 6 LYS QE 4.564 . 5.564 4.570 4.233 5.038 . 0 0 "[ . 1 ]" 1
615 1 7 MET H 1 7 MET QB 2.720 . 3.720 2.821 2.464 3.048 . 0 0 "[ . 1 ]" 1
616 2 7 MET H 2 7 MET QB 2.720 . 3.720 2.764 2.480 3.089 . 0 0 "[ . 1 ]" 1
617 1 9 GLN HA 1 9 GLN QE 4.618 . 5.618 3.926 3.499 4.644 . 0 0 "[ . 1 ]" 1
618 2 9 GLN HA 2 9 GLN QE 4.618 . 5.618 4.028 3.471 4.728 . 0 0 "[ . 1 ]" 1
619 1 9 GLN H 1 9 GLN QE 4.219 . 5.219 4.625 4.549 4.900 . 0 0 "[ . 1 ]" 1
620 2 9 GLN H 2 9 GLN QE 4.219 . 5.219 4.620 4.550 4.721 . 0 0 "[ . 1 ]" 1
621 1 10 PHE H 1 10 PHE QE 4.523 . 6.523 6.251 6.176 6.318 . 0 0 "[ . 1 ]" 1
622 2 10 PHE H 2 10 PHE QE 4.523 . 6.523 6.254 6.185 6.299 . 0 0 "[ . 1 ]" 1
623 1 11 ASN H 1 11 ASN QB 3.414 . 4.414 2.675 2.393 2.850 . 0 0 "[ . 1 ]" 1
624 2 11 ASN H 2 11 ASN QB 3.414 . 4.414 2.627 2.375 2.839 . 0 0 "[ . 1 ]" 1
625 1 13 ARG H 1 13 ARG HE 4.234 . 7.198 5.647 5.430 6.083 . 0 0 "[ . 1 ]" 1
626 2 13 ARG H 2 13 ARG HE 4.234 . 7.198 5.695 5.442 6.121 . 0 0 "[ . 1 ]" 1
627 1 13 ARG H 1 13 ARG QB 3.783 . 3.783 2.788 2.694 2.923 . 0 0 "[ . 1 ]" 1
628 2 13 ARG H 2 13 ARG QB 3.783 . 3.783 2.775 2.698 2.916 . 0 0 "[ . 1 ]" 1
629 1 14 TRP H 1 14 TRP HE1 4.442 . 5.330 5.458 5.397 5.548 0.218 1 0 "[ . 1 ]" 1
630 2 14 TRP H 2 14 TRP HE1 4.442 . 5.330 5.452 5.405 5.520 0.190 6 0 "[ . 1 ]" 1
631 1 16 ARG HA 1 16 ARG HE 3.988 . 3.988 4.036 3.842 4.172 0.184 13 0 "[ . 1 ]" 1
632 2 16 ARG HA 2 16 ARG HE 3.988 . 3.988 3.987 3.814 4.092 0.104 3 0 "[ . 1 ]" 1
633 1 16 ARG QB 1 16 ARG HE 3.494 . 3.494 2.352 2.237 2.532 . 0 0 "[ . 1 ]" 1
634 2 16 ARG QB 2 16 ARG HE 3.494 . 3.494 2.436 2.325 2.604 . 0 0 "[ . 1 ]" 1
635 1 16 ARG HE 1 16 ARG QG 3.378 . 4.378 2.545 2.470 2.657 . 0 0 "[ . 1 ]" 1
636 2 16 ARG HE 2 16 ARG QG 3.378 . 4.378 2.537 2.473 2.640 . 0 0 "[ . 1 ]" 1
637 1 16 ARG H 1 16 ARG HE 4.777 . 4.777 4.777 4.728 4.813 0.036 9 0 "[ . 1 ]" 1
638 2 16 ARG H 2 16 ARG HE 4.777 . 4.777 4.781 4.704 4.808 0.031 4 0 "[ . 1 ]" 1
639 1 16 ARG H 1 16 ARG QD 4.499 . 5.499 4.503 4.158 4.815 . 0 0 "[ . 1 ]" 1
640 2 16 ARG H 2 16 ARG QD 4.499 . 5.499 4.710 4.269 4.826 . 0 0 "[ . 1 ]" 1
641 1 19 LEU H 1 19 LEU HG 4.139 . 4.139 3.311 1.949 4.341 0.202 14 0 "[ . 1 ]" 1
642 2 19 LEU H 2 19 LEU HG 4.139 . 4.139 3.911 2.255 4.355 0.216 7 0 "[ . 1 ]" 1
643 1 23 ARG QB 1 23 ARG HE 3.432 . 4.432 2.880 2.237 4.127 . 0 0 "[ . 1 ]" 1
644 2 23 ARG QB 2 23 ARG HE 3.432 . 4.432 3.184 2.153 4.137 . 0 0 "[ . 1 ]" 1
645 1 23 ARG H 1 23 ARG QB 3.680 . 4.680 2.503 2.428 2.544 . 0 0 "[ . 1 ]" 1
646 2 23 ARG H 2 23 ARG QB 3.680 . 4.680 2.490 2.399 2.567 . 0 0 "[ . 1 ]" 1
647 1 23 ARG H 1 23 ARG QD 4.448 . 5.448 3.367 3.090 4.331 . 0 0 "[ . 1 ]" 1
648 2 23 ARG H 2 23 ARG QD 4.448 . 5.448 3.521 3.105 4.305 . 0 0 "[ . 1 ]" 1
649 1 25 VAL H 1 25 VAL HB 4.050 . 4.050 2.363 2.148 2.531 . 0 0 "[ . 1 ]" 1
650 2 25 VAL H 2 25 VAL HB 4.050 . 4.050 2.364 2.139 2.563 . 0 0 "[ . 1 ]" 1
651 1 27 GLU H 1 27 GLU QB 2.802 . 2.802 2.351 2.338 2.363 . 0 0 "[ . 1 ]" 1
652 2 27 GLU H 2 27 GLU QB 2.810 . 2.810 2.355 2.345 2.369 . 0 0 "[ . 1 ]" 1
653 1 31 MET H 1 31 MET QG 4.142 . 5.142 4.279 4.195 4.390 . 0 0 "[ . 1 ]" 1
654 2 31 MET H 2 31 MET QG 4.142 . 5.142 4.276 4.202 4.362 . 0 0 "[ . 1 ]" 1
655 1 39 GLN HA 1 39 GLN QE 4.613 . 5.613 1.811 1.630 2.089 0.170 2 0 "[ . 1 ]" 1
656 2 39 GLN HA 2 39 GLN QE 4.613 . 5.613 1.807 1.638 2.072 0.162 8 0 "[ . 1 ]" 1
657 1 39 GLN QB 1 39 GLN QE 3.474 . 5.474 2.556 1.802 3.018 . 0 0 "[ . 1 ]" 1
658 2 39 GLN QB 2 39 GLN QE 3.474 . 5.474 2.554 1.811 2.997 . 0 0 "[ . 1 ]" 1
659 1 39 GLN H 1 39 GLN QE 3.965 . 4.965 4.348 4.319 4.370 . 0 0 "[ . 1 ]" 1
660 2 39 GLN H 2 39 GLN QE 3.965 . 4.965 4.345 4.320 4.361 . 0 0 "[ . 1 ]" 1
661 1 41 VAL H 1 41 VAL HB 3.817 . 3.817 3.651 2.287 3.801 . 0 0 "[ . 1 ]" 1
662 2 41 VAL H 2 41 VAL HB 3.817 . 3.817 3.761 3.723 3.802 . 0 0 "[ . 1 ]" 1
663 1 43 GLU H 1 43 GLU QB 3.475 . 4.475 2.541 2.422 2.881 . 0 0 "[ . 1 ]" 1
664 2 43 GLU H 2 43 GLU QB 3.475 . 4.475 2.449 2.413 2.507 . 0 0 "[ . 1 ]" 1
665 1 43 GLU H 1 43 GLU QG 3.256 . 3.256 2.716 2.335 2.836 . 0 0 "[ . 1 ]" 1
666 2 43 GLU H 2 43 GLU QG 3.256 . 3.256 2.743 2.697 2.799 . 0 0 "[ . 1 ]" 1
667 1 46 LYS H 1 46 LYS QB 3.073 . 4.073 2.750 2.184 3.129 . 0 0 "[ . 1 ]" 1
668 2 46 LYS H 2 46 LYS QB 3.073 . 4.073 2.697 2.205 3.084 . 0 0 "[ . 1 ]" 1
669 1 46 LYS H 1 46 LYS QG 4.567 . 5.567 4.156 3.718 4.579 . 0 0 "[ . 1 ]" 1
670 2 46 LYS H 2 46 LYS QG 4.567 . 5.567 3.993 3.409 4.480 . 0 0 "[ . 1 ]" 1
671 1 47 LYS H 1 47 LYS QD 5.383 . 5.383 4.247 3.936 4.789 . 0 0 "[ . 1 ]" 1
672 2 47 LYS H 2 47 LYS QD 5.383 . 5.383 4.191 3.589 4.514 . 0 0 "[ . 1 ]" 1
673 1 50 ARG HA 1 50 ARG HE 4.260 . 5.964 4.909 3.963 6.133 0.169 8 0 "[ . 1 ]" 1
674 2 50 ARG HA 2 50 ARG HE 4.260 . 5.964 5.032 4.074 6.009 0.045 10 0 "[ . 1 ]" 1
675 1 50 ARG H 1 50 ARG HE 4.472 . 6.261 3.742 2.411 5.048 . 0 0 "[ . 1 ]" 1
676 2 50 ARG H 2 50 ARG HE 4.472 . 6.261 3.460 2.370 4.534 . 0 0 "[ . 1 ]" 1
677 1 50 ARG H 1 50 ARG QD 4.712 . 5.712 3.205 1.417 4.670 0.383 8 0 "[ . 1 ]" 1
678 2 50 ARG H 2 50 ARG QD 4.712 . 5.712 2.753 1.343 4.368 0.457 11 0 "[ . 1 ]" 1
679 1 50 ARG H 1 50 ARG QG 4.699 . 5.699 3.209 2.127 4.148 . 0 0 "[ . 1 ]" 1
680 2 50 ARG H 2 50 ARG QG 4.699 . 5.699 2.731 2.081 4.042 . 0 0 "[ . 1 ]" 1
681 1 51 ILE H 1 51 ILE MD 4.512 . 4.812 4.121 4.071 4.295 . 0 0 "[ . 1 ]" 1
682 2 51 ILE H 2 51 ILE MD 4.512 . 4.812 4.148 4.052 4.331 . 0 0 "[ . 1 ]" 1
683 1 2 LYS QB 1 3 GLY H 3.586 . 4.586 3.397 1.515 4.019 0.285 10 0 "[ . 1 ]" 1
684 2 2 LYS QB 2 3 GLY H 3.586 . 4.586 3.020 1.520 4.023 0.280 8 0 "[ . 1 ]" 1
685 1 2 LYS QG 1 3 GLY H 4.604 . 5.604 3.502 2.944 4.346 . 0 0 "[ . 1 ]" 1
686 2 2 LYS QG 2 3 GLY H 4.604 . 5.604 3.293 2.667 4.314 . 0 0 "[ . 1 ]" 1
687 1 2 LYS H 1 3 GLY H 4.184 . 8.577 3.686 3.260 4.441 . 0 0 "[ . 1 ]" 1
688 2 2 LYS H 2 3 GLY H 4.184 . 8.577 3.629 2.955 4.626 . 0 0 "[ . 1 ]" 1
689 1 3 GLY H 1 4 MET QB 4.442 . 5.442 4.524 3.956 4.863 . 0 0 "[ . 1 ]" 1
690 2 3 GLY H 2 4 MET QB 4.442 . 5.442 4.586 3.267 4.884 . 0 0 "[ . 1 ]" 1
691 1 3 GLY H 1 4 MET QG 4.810 . 5.810 3.814 2.764 5.087 . 0 0 "[ . 1 ]" 1
692 2 3 GLY H 2 4 MET QG 4.810 . 5.810 3.688 2.772 5.333 . 0 0 "[ . 1 ]" 1
693 1 4 MET QG 1 5 SER H 4.184 . 5.184 4.002 3.944 4.116 . 0 0 "[ . 1 ]" 1
694 2 4 MET QG 2 5 SER H 4.184 . 5.184 3.975 3.074 4.241 . 0 0 "[ . 1 ]" 1
695 1 4 MET H 1 5 SER HA 3.725 . 8.195 4.599 3.858 5.149 . 0 0 "[ . 1 ]" 1
696 2 4 MET H 2 5 SER HA 3.725 . 8.195 4.760 3.772 5.344 . 0 0 "[ . 1 ]" 1
697 1 4 MET H 1 5 SER QB 4.067 . 5.067 4.553 4.273 4.791 . 0 0 "[ . 1 ]" 1
698 2 4 MET H 2 5 SER QB 4.067 . 5.067 4.541 4.243 4.774 . 0 0 "[ . 1 ]" 1
699 1 5 SER QB 1 6 LYS H 3.216 . 4.216 2.419 1.728 3.847 0.072 11 0 "[ . 1 ]" 1
700 2 5 SER QB 2 6 LYS H 3.216 . 4.216 2.336 1.787 3.866 0.013 8 0 "[ . 1 ]" 1
701 1 5 SER H 1 6 LYS QG 4.859 . 5.859 4.754 2.755 5.301 . 0 0 "[ . 1 ]" 1
702 2 5 SER H 2 6 LYS QG 4.859 . 5.859 4.566 3.287 5.292 . 0 0 "[ . 1 ]" 1
703 1 6 LYS HA 1 7 MET H 2.632 . 4.343 3.313 2.540 3.548 . 0 0 "[ . 1 ]" 1
704 2 6 LYS HA 2 7 MET H 2.632 . 4.343 3.359 2.585 3.558 . 0 0 "[ . 1 ]" 1
705 1 6 LYS QB 1 7 MET H 3.467 . 4.467 2.810 1.561 4.049 0.239 5 0 "[ . 1 ]" 1
706 2 6 LYS QB 2 7 MET H 3.467 . 4.467 2.891 1.675 4.041 0.125 4 0 "[ . 1 ]" 1
707 1 6 LYS QG 1 7 MET H 3.755 . 4.755 3.472 1.606 4.402 0.194 13 0 "[ . 1 ]" 1
708 2 6 LYS QG 2 7 MET H 3.755 . 4.755 3.374 1.739 4.411 0.061 8 0 "[ . 1 ]" 1
709 1 6 LYS H 1 7 MET HA 4.638 . 8.580 4.712 4.021 5.546 . 0 0 "[ . 1 ]" 1
710 2 6 LYS H 2 7 MET HA 4.638 . 8.580 4.759 3.913 5.540 . 0 0 "[ . 1 ]" 1
711 1 6 LYS H 1 7 MET QG 8.261 . 8.261 5.234 4.492 6.465 . 0 0 "[ . 1 ]" 1
712 2 6 LYS H 2 7 MET QG 8.261 . 8.261 5.077 4.151 6.325 . 0 0 "[ . 1 ]" 1
713 1 6 LYS H 1 7 MET H 2.886 . 5.339 2.575 1.784 3.529 0.016 9 0 "[ . 1 ]" 1
714 2 6 LYS H 2 7 MET H 2.886 . 5.339 2.551 1.798 3.236 0.002 6 0 "[ . 1 ]" 1
715 1 7 MET H 1 8 PRO QD 6.617 . 6.617 2.842 1.628 4.464 0.172 14 0 "[ . 1 ]" 1
716 2 7 MET H 2 8 PRO QD 6.613 . 6.613 2.699 1.423 4.430 0.377 3 0 "[ . 1 ]" 1
717 1 9 GLN H 1 10 PHE H 4.586 . 4.586 4.630 4.592 4.683 0.097 13 0 "[ . 1 ]" 1
718 2 9 GLN H 2 10 PHE H 4.586 . 4.586 4.626 4.566 4.677 0.091 8 0 "[ . 1 ]" 1
719 1 10 PHE QB 1 11 ASN QD 5.762 . 7.762 5.851 5.334 6.282 . 0 0 "[ . 1 ]" 1
720 2 10 PHE QB 2 11 ASN QD 5.762 . 7.762 5.742 5.210 6.249 . 0 0 "[ . 1 ]" 1
721 1 10 PHE H 1 11 ASN QB 4.928 . 5.928 5.214 4.761 5.478 . 0 0 "[ . 1 ]" 1
722 2 10 PHE H 2 11 ASN QB 4.928 . 5.928 5.227 4.896 5.496 . 0 0 "[ . 1 ]" 1
723 1 10 PHE H 1 11 ASN QD 5.594 . 6.594 5.402 4.465 5.740 . 0 0 "[ . 1 ]" 1
724 2 10 PHE H 2 11 ASN QD 5.594 . 6.594 5.243 4.190 5.757 . 0 0 "[ . 1 ]" 1
725 1 10 PHE H 1 11 ASN H 4.144 . 6.423 4.056 3.966 4.193 . 0 0 "[ . 1 ]" 1
726 2 10 PHE H 2 11 ASN H 4.144 . 6.423 4.030 3.850 4.144 . 0 0 "[ . 1 ]" 1
727 1 11 ASN QB 1 12 LEU H 3.817 . 4.817 3.145 2.909 3.400 . 0 0 "[ . 1 ]" 1
728 2 11 ASN QB 2 12 LEU H 3.817 . 4.817 3.145 2.900 3.451 . 0 0 "[ . 1 ]" 1
729 1 11 ASN QD 1 12 LEU H 5.458 . 6.458 5.260 4.062 5.693 . 0 0 "[ . 1 ]" 1
730 2 11 ASN QD 2 12 LEU H 5.458 . 6.458 5.438 5.329 5.705 . 0 0 "[ . 1 ]" 1
731 1 11 ASN H 1 12 LEU QD 5.500 . 7.900 5.046 4.843 5.324 . 0 0 "[ . 1 ]" 1
732 2 11 ASN H 2 12 LEU QD 5.500 . 7.900 5.058 4.879 5.331 . 0 0 "[ . 1 ]" 1
733 1 12 LEU QB 1 13 ARG H 4.800 . 5.800 2.267 1.928 2.465 . 0 0 "[ . 1 ]" 1
734 2 12 LEU QB 2 13 ARG H 4.800 . 5.800 2.238 2.034 2.425 . 0 0 "[ . 1 ]" 1
735 1 12 LEU HG 1 13 ARG H 4.718 . 4.718 4.641 4.590 4.760 0.042 3 0 "[ . 1 ]" 1
736 2 12 LEU HG 2 13 ARG H 4.718 . 4.718 4.669 4.599 4.767 0.049 5 0 "[ . 1 ]" 1
737 1 13 ARG QB 1 14 TRP H 5.136 . 5.136 3.654 3.279 3.782 . 0 0 "[ . 1 ]" 1
738 2 13 ARG QB 2 14 TRP H 5.136 . 5.136 3.632 3.212 3.764 . 0 0 "[ . 1 ]" 1
739 1 13 ARG HE 1 14 TRP H 4.562 . 7.755 7.082 6.574 7.181 . 0 0 "[ . 1 ]" 1
740 2 13 ARG HE 2 14 TRP H 4.562 . 7.755 7.002 6.480 7.245 . 0 0 "[ . 1 ]" 1
741 1 16 ARG HE 1 17 GLU QG 4.715 . 5.715 3.100 2.952 3.280 . 0 0 "[ . 1 ]" 1
742 2 16 ARG HE 2 17 GLU QG 4.715 . 5.715 3.171 3.062 3.320 . 0 0 "[ . 1 ]" 1
743 1 16 ARG HE 1 17 GLU H 4.530 . 4.530 3.417 3.348 3.476 . 0 0 "[ . 1 ]" 1
744 2 16 ARG HE 2 17 GLU H 4.530 . 4.530 3.423 3.337 3.460 . 0 0 "[ . 1 ]" 1
745 1 16 ARG QG 1 17 GLU H 4.810 . 5.810 2.958 1.899 4.237 . 0 0 "[ . 1 ]" 1
746 2 16 ARG QG 2 17 GLU H 4.810 . 5.810 3.745 2.123 4.281 . 0 0 "[ . 1 ]" 1
747 1 17 GLU HA 1 18 VAL H 4.364 . 4.364 3.552 3.521 3.568 . 0 0 "[ . 1 ]" 1
748 2 17 GLU HA 2 18 VAL H 4.364 . 4.364 3.561 3.546 3.576 . 0 0 "[ . 1 ]" 1
749 1 17 GLU QB 1 18 VAL H 4.172 . 5.172 2.660 2.510 2.816 . 0 0 "[ . 1 ]" 1
750 2 17 GLU QB 2 18 VAL H 4.172 . 5.172 2.612 2.462 2.757 . 0 0 "[ . 1 ]" 1
751 1 17 GLU QG 1 18 VAL H 4.650 . 5.650 4.154 4.081 4.211 . 0 0 "[ . 1 ]" 1
752 2 17 GLU QG 2 18 VAL H 4.650 . 5.650 4.137 4.069 4.203 . 0 0 "[ . 1 ]" 1
753 1 18 VAL H 1 19 LEU QB 5.092 . 6.092 4.401 4.078 5.432 . 0 0 "[ . 1 ]" 1
754 2 18 VAL H 2 19 LEU QB 5.092 . 6.092 4.237 4.099 4.583 . 0 0 "[ . 1 ]" 1
755 1 19 LEU HG 1 20 ASP H 4.308 . 4.308 3.970 3.598 4.346 0.038 1 0 "[ . 1 ]" 1
756 2 19 LEU HG 2 20 ASP H 4.308 . 4.308 3.831 3.609 4.429 0.121 9 0 "[ . 1 ]" 1
757 1 20 ASP H 1 21 LEU QD 5.227 . 7.627 5.515 5.359 5.642 . 0 0 "[ . 1 ]" 1
758 2 20 ASP H 2 21 LEU QD 5.227 . 7.627 5.476 5.361 5.598 . 0 0 "[ . 1 ]" 1
759 1 21 LEU HA 1 22 VAL H 4.573 . 4.573 3.526 3.492 3.555 . 0 0 "[ . 1 ]" 1
760 2 21 LEU HA 2 22 VAL H 4.573 . 4.573 3.523 3.472 3.557 . 0 0 "[ . 1 ]" 1
761 1 21 LEU QB 1 22 VAL H 4.476 . 4.476 2.798 2.649 2.971 . 0 0 "[ . 1 ]" 1
762 2 21 LEU QB 2 22 VAL H 4.471 . 4.471 2.790 2.676 2.868 . 0 0 "[ . 1 ]" 1
763 1 22 VAL HA 1 23 ARG HE 4.346 . 6.954 6.970 6.829 7.114 0.160 1 0 "[ . 1 ]" 1
764 2 22 VAL HA 2 23 ARG HE 4.346 . 6.954 6.988 6.148 7.235 0.281 7 0 "[ . 1 ]" 1
765 1 22 VAL HB 1 23 ARG H 4.867 . 4.867 2.855 2.671 3.878 . 0 0 "[ . 1 ]" 1
766 2 22 VAL HB 2 23 ARG H 4.867 . 4.867 2.913 2.656 3.964 . 0 0 "[ . 1 ]" 1
767 1 22 VAL QG 1 23 ARG H 5.256 . 5.256 3.260 2.380 3.383 . 0 0 "[ . 1 ]" 1
768 2 22 VAL QG 2 23 ARG H 5.239 . 5.239 3.281 2.468 3.447 . 0 0 "[ . 1 ]" 1
769 1 22 VAL QG 1 23 ARG HE 5.590 . 7.990 4.778 4.426 5.434 . 0 0 "[ . 1 ]" 1
770 2 22 VAL QG 2 23 ARG HE 5.590 . 7.990 4.700 3.853 5.169 . 0 0 "[ . 1 ]" 1
771 1 22 VAL H 1 23 ARG QB 4.878 . 5.878 4.406 4.342 4.559 . 0 0 "[ . 1 ]" 1
772 2 22 VAL H 2 23 ARG QB 4.878 . 5.878 4.428 4.240 4.617 . 0 0 "[ . 1 ]" 1
773 1 22 VAL H 1 23 ARG HE 4.271 . 6.834 6.578 4.891 6.978 0.144 13 0 "[ . 1 ]" 1
774 2 22 VAL H 2 23 ARG HE 4.271 . 6.834 6.434 5.686 6.939 0.105 8 0 "[ . 1 ]" 1
775 1 22 VAL H 1 23 ARG H 4.195 . 4.195 2.345 2.270 2.476 . 0 0 "[ . 1 ]" 1
776 2 22 VAL H 2 23 ARG H 4.195 . 4.195 2.372 2.243 2.470 . 0 0 "[ . 1 ]" 1
777 1 23 ARG QB 1 24 LYS H 3.203 . 4.203 2.587 2.482 2.787 . 0 0 "[ . 1 ]" 1
778 2 23 ARG QB 2 24 LYS H 3.203 . 4.203 2.572 2.178 2.694 . 0 0 "[ . 1 ]" 1
779 1 23 ARG QD 1 24 LYS H 4.536 . 5.536 4.871 4.815 5.106 . 0 0 "[ . 1 ]" 1
780 2 23 ARG QD 2 24 LYS H 4.536 . 5.536 4.891 4.675 5.113 . 0 0 "[ . 1 ]" 1
781 1 23 ARG HE 1 24 LYS H 4.572 . 7.315 5.606 4.730 6.592 . 0 0 "[ . 1 ]" 1
782 2 23 ARG HE 2 24 LYS H 4.572 . 7.315 5.854 5.193 6.576 . 0 0 "[ . 1 ]" 1
783 1 25 VAL H 1 26 ALA MB 5.558 . 5.858 4.580 4.505 4.638 . 0 0 "[ . 1 ]" 1
784 2 25 VAL H 2 26 ALA MB 5.558 . 5.858 4.551 4.486 4.608 . 0 0 "[ . 1 ]" 1
785 1 26 ALA HA 1 27 GLU H 3.346 . 3.346 3.520 3.507 3.533 0.187 13 0 "[ . 1 ]" 1
786 2 26 ALA HA 2 27 GLU H 3.346 . 3.346 3.519 3.507 3.547 0.201 3 0 "[ . 1 ]" 1
787 1 26 ALA MB 1 27 GLU H 4.364 . 4.664 2.709 2.651 2.769 . 0 0 "[ . 1 ]" 1
788 2 26 ALA MB 2 27 GLU H 4.364 . 4.664 2.712 2.571 2.777 . 0 0 "[ . 1 ]" 1
789 1 26 ALA H 1 27 GLU QG 4.598 . 5.598 4.562 4.407 4.696 . 0 0 "[ . 1 ]" 1
790 2 26 ALA H 2 27 GLU QG 4.598 . 5.598 4.580 4.476 4.686 . 0 0 "[ . 1 ]" 1
791 1 27 GLU H 1 28 GLU QG 3.778 . 4.778 4.009 3.981 4.026 . 0 0 "[ . 1 ]" 1
792 2 27 GLU H 2 28 GLU QG 3.778 . 4.778 4.012 3.969 4.122 . 0 0 "[ . 1 ]" 1
793 1 28 GLU H 1 29 ASN QD 5.366 . 6.366 4.950 4.584 5.492 . 0 0 "[ . 1 ]" 1
794 2 28 GLU H 2 29 ASN QD 5.366 . 6.366 4.835 4.461 5.335 . 0 0 "[ . 1 ]" 1
795 1 29 ASN QB 1 30 GLY H 4.872 . 5.872 3.315 3.189 3.892 . 0 0 "[ . 1 ]" 1
796 2 29 ASN QB 2 30 GLY H 4.872 . 5.872 3.278 3.186 3.847 . 0 0 "[ . 1 ]" 1
797 1 29 ASN QD 1 30 GLY H 6.028 . 7.028 4.734 4.523 4.916 . 0 0 "[ . 1 ]" 1
798 2 29 ASN QD 2 30 GLY H 6.028 . 7.028 4.687 4.429 5.171 . 0 0 "[ . 1 ]" 1
799 1 29 ASN H 1 30 GLY QA 4.002 . 5.002 4.297 4.265 4.329 . 0 0 "[ . 1 ]" 1
800 2 29 ASN H 2 30 GLY QA 4.002 . 5.002 4.295 4.243 4.353 . 0 0 "[ . 1 ]" 1
801 1 29 ASN H 1 30 GLY H 3.839 . 3.839 2.276 2.238 2.325 . 0 0 "[ . 1 ]" 1
802 2 29 ASN H 2 30 GLY H 3.839 . 3.839 2.273 2.222 2.335 . 0 0 "[ . 1 ]" 1
803 1 30 GLY QA 1 31 MET H 3.518 . 4.518 2.528 2.500 2.572 . 0 0 "[ . 1 ]" 1
804 2 30 GLY QA 2 31 MET H 3.518 . 4.518 2.527 2.496 2.556 . 0 0 "[ . 1 ]" 1
805 1 30 GLY H 1 31 MET H 3.761 . 3.761 2.956 2.923 2.985 . 0 0 "[ . 1 ]" 1
806 2 30 GLY H 2 31 MET H 3.761 . 3.761 2.959 2.914 3.031 . 0 0 "[ . 1 ]" 1
807 1 31 MET QB 1 32 SER H 4.376 . 5.376 3.566 3.530 3.723 . 0 0 "[ . 1 ]" 1
808 2 31 MET QB 2 32 SER H 4.376 . 5.376 3.566 3.449 3.649 . 0 0 "[ . 1 ]" 1
809 1 31 MET QG 1 32 SER H 4.419 . 4.419 2.489 2.299 3.113 . 0 0 "[ . 1 ]" 1
810 2 31 MET QG 2 32 SER H 4.419 . 4.419 2.552 2.305 3.160 . 0 0 "[ . 1 ]" 1
811 1 31 MET H 1 32 SER H 4.313 . 4.313 4.408 4.352 4.447 0.134 3 0 "[ . 1 ]" 1
812 2 31 MET H 2 32 SER H 4.313 . 4.313 4.411 4.381 4.438 0.125 12 0 "[ . 1 ]" 1
813 1 32 SER H 1 33 VAL H 4.511 . 4.511 4.645 4.599 4.659 0.148 4 0 "[ . 1 ]" 1
814 2 32 SER H 2 33 VAL H 4.511 . 4.511 4.646 4.607 4.667 0.156 9 0 "[ . 1 ]" 1
815 1 33 VAL HA 1 34 ASN H 4.646 . 4.646 3.559 3.534 3.588 . 0 0 "[ . 1 ]" 1
816 2 33 VAL HA 2 34 ASN H 4.646 . 4.646 3.556 3.528 3.572 . 0 0 "[ . 1 ]" 1
817 1 33 VAL HB 1 34 ASN QD 5.654 . 6.654 5.559 5.144 5.994 . 0 0 "[ . 1 ]" 1
818 2 33 VAL HB 2 34 ASN QD 5.654 . 6.654 5.421 4.838 6.001 . 0 0 "[ . 1 ]" 1
819 1 34 ASN HA 1 35 SER H 4.720 . 4.720 3.542 3.532 3.555 . 0 0 "[ . 1 ]" 1
820 2 34 ASN HA 2 35 SER H 4.720 . 4.720 3.543 3.514 3.559 . 0 0 "[ . 1 ]" 1
821 1 34 ASN QB 1 35 SER H 4.237 . 4.237 2.622 2.273 3.441 . 0 0 "[ . 1 ]" 1
822 2 34 ASN QB 2 35 SER H 4.238 . 4.238 2.853 2.257 3.450 . 0 0 "[ . 1 ]" 1
823 1 34 ASN H 1 35 SER H 4.504 . 4.504 2.853 2.720 2.937 . 0 0 "[ . 1 ]" 1
824 2 34 ASN H 2 35 SER H 4.504 . 4.504 2.838 2.723 2.911 . 0 0 "[ . 1 ]" 1
825 1 36 TYR QD 1 37 ILE H 4.927 . 6.927 3.509 3.280 3.715 . 0 0 "[ . 1 ]" 1
826 2 36 TYR QD 2 37 ILE H 4.927 . 6.927 3.549 3.279 3.734 . 0 0 "[ . 1 ]" 1
827 1 37 ILE QG 1 38 TYR H 4.484 . 5.484 4.628 4.566 4.681 . 0 0 "[ . 1 ]" 1
828 2 37 ILE QG 2 38 TYR H 4.484 . 5.484 4.636 4.591 4.700 . 0 0 "[ . 1 ]" 1
829 1 37 ILE H 1 38 TYR QB 4.800 . 5.800 4.150 4.092 4.188 . 0 0 "[ . 1 ]" 1
830 2 37 ILE H 2 38 TYR QB 4.800 . 5.800 4.153 4.088 4.214 . 0 0 "[ . 1 ]" 1
831 1 38 TYR HA 1 39 GLN H 4.882 . 4.882 3.494 3.485 3.505 . 0 0 "[ . 1 ]" 1
832 2 38 TYR HA 2 39 GLN H 4.882 . 4.882 3.493 3.481 3.507 . 0 0 "[ . 1 ]" 1
833 1 38 TYR QB 1 39 GLN H 4.516 . 4.516 2.675 2.619 2.747 . 0 0 "[ . 1 ]" 1
834 2 38 TYR QB 2 39 GLN H 4.515 . 4.515 2.687 2.612 2.765 . 0 0 "[ . 1 ]" 1
835 1 38 TYR QB 1 39 GLN QE 4.999 . 6.999 5.442 5.371 5.519 . 0 0 "[ . 1 ]" 1
836 2 38 TYR QB 2 39 GLN QE 4.999 . 6.999 5.449 5.401 5.516 . 0 0 "[ . 1 ]" 1
837 1 38 TYR QD 1 39 GLN H 4.658 . 6.658 3.513 3.394 3.638 . 0 0 "[ . 1 ]" 1
838 2 38 TYR QD 2 39 GLN H 4.658 . 6.658 3.588 3.445 3.936 . 0 0 "[ . 1 ]" 1
839 1 38 TYR H 1 39 GLN QB 4.553 . 5.553 4.240 4.079 4.475 . 0 0 "[ . 1 ]" 1
840 2 38 TYR H 2 39 GLN QB 4.553 . 5.553 4.230 4.098 4.472 . 0 0 "[ . 1 ]" 1
841 1 39 GLN QB 1 40 LEU H 3.823 . 4.823 3.086 2.981 3.166 . 0 0 "[ . 1 ]" 1
842 2 39 GLN QB 2 40 LEU H 3.823 . 4.823 3.076 3.025 3.154 . 0 0 "[ . 1 ]" 1
843 1 39 GLN QE 1 40 LEU H 4.997 . 5.997 4.541 4.337 4.798 . 0 0 "[ . 1 ]" 1
844 2 39 GLN QE 2 40 LEU H 4.997 . 5.997 4.535 4.386 4.797 . 0 0 "[ . 1 ]" 1
845 1 39 GLN QG 1 40 LEU H 4.619 . 5.619 4.272 4.035 4.574 . 0 0 "[ . 1 ]" 1
846 2 39 GLN QG 2 40 LEU H 4.619 . 5.619 4.259 4.089 4.562 . 0 0 "[ . 1 ]" 1
847 1 39 GLN H 1 40 LEU QD 5.790 . 8.190 4.515 4.419 4.588 . 0 0 "[ . 1 ]" 1
848 2 39 GLN H 2 40 LEU QD 5.790 . 8.190 4.521 4.457 4.562 . 0 0 "[ . 1 ]" 1
849 1 40 LEU HG 1 41 VAL H 4.628 . 4.628 4.366 4.200 4.462 . 0 0 "[ . 1 ]" 1
850 2 40 LEU HG 2 41 VAL H 4.628 . 4.628 4.411 4.366 4.476 . 0 0 "[ . 1 ]" 1
851 1 41 VAL H 1 42 MET HA 5.030 . 5.030 5.093 5.065 5.134 0.104 10 0 "[ . 1 ]" 1
852 2 41 VAL H 2 42 MET HA 5.030 . 5.030 5.088 5.038 5.123 0.093 7 0 "[ . 1 ]" 1
853 1 41 VAL H 1 42 MET H 4.019 . 4.019 2.330 2.278 2.405 . 0 0 "[ . 1 ]" 1
854 2 41 VAL H 2 42 MET H 4.019 . 4.019 2.314 2.257 2.377 . 0 0 "[ . 1 ]" 1
855 1 43 GLU HA 1 44 SER H 3.425 . 3.425 3.408 3.343 3.477 0.052 9 0 "[ . 1 ]" 1
856 2 43 GLU HA 2 44 SER H 3.425 . 3.425 3.434 3.406 3.462 0.037 5 0 "[ . 1 ]" 1
857 1 43 GLU QG 1 44 SER H 4.188 . 5.188 4.099 2.630 4.386 . 0 0 "[ . 1 ]" 1
858 2 43 GLU QG 2 44 SER H 4.188 . 5.188 4.314 4.268 4.360 . 0 0 "[ . 1 ]" 1
859 1 44 SER H 1 45 PHE QD 4.442 . 6.442 5.064 3.525 5.535 . 0 0 "[ . 1 ]" 1
860 2 44 SER H 2 45 PHE QD 4.442 . 6.442 5.066 3.674 5.556 . 0 0 "[ . 1 ]" 1
861 1 46 LYS HA 1 47 LYS H 4.778 . 5.734 3.439 2.757 3.574 . 0 0 "[ . 1 ]" 1
862 2 46 LYS HA 2 47 LYS H 4.778 . 5.734 3.493 3.158 3.568 . 0 0 "[ . 1 ]" 1
863 1 46 LYS H 1 47 LYS H 3.912 . 4.890 2.115 1.756 2.512 0.044 12 0 "[ . 1 ]" 1
864 2 46 LYS H 2 47 LYS H 3.912 . 4.890 2.220 1.736 4.583 0.064 7 0 "[ . 1 ]" 1
865 1 47 LYS QD 1 48 GLU H 5.110 . 5.110 3.937 3.279 4.514 . 0 0 "[ . 1 ]" 1
866 2 47 LYS QD 2 48 GLU H 5.110 . 5.110 3.771 3.257 4.376 . 0 0 "[ . 1 ]" 1
867 1 47 LYS H 1 48 GLU H 4.022 . 5.229 2.164 1.699 3.490 0.101 11 0 "[ . 1 ]" 1
868 2 47 LYS H 2 48 GLU H 4.022 . 5.229 2.346 1.669 3.409 0.131 3 0 "[ . 1 ]" 1
869 1 48 GLU HA 1 49 GLY H 3.521 . 4.577 3.449 3.131 3.564 . 0 0 "[ . 1 ]" 1
870 2 48 GLU HA 2 49 GLY H 3.521 . 4.577 3.465 3.078 3.533 . 0 0 "[ . 1 ]" 1
871 1 48 GLU QB 1 49 GLY H 4.190 . 5.190 2.934 2.516 3.857 . 0 0 "[ . 1 ]" 1
872 2 48 GLU QB 2 49 GLY H 4.190 . 5.190 2.889 2.343 3.636 . 0 0 "[ . 1 ]" 1
873 1 48 GLU QG 1 49 GLY H 5.555 . 5.555 4.113 2.884 4.566 . 0 0 "[ . 1 ]" 1
874 2 48 GLU QG 2 49 GLY H 5.556 . 5.556 4.138 3.450 4.558 . 0 0 "[ . 1 ]" 1
875 1 49 GLY H 1 50 ARG H 3.222 . 4.189 2.456 1.936 2.794 . 0 0 "[ . 1 ]" 1
876 2 49 GLY H 2 50 ARG H 3.222 . 4.189 2.342 1.947 2.916 . 0 0 "[ . 1 ]" 1
877 1 50 ARG QD 1 51 ILE H 5.038 . 6.038 3.992 2.722 4.674 . 0 0 "[ . 1 ]" 1
878 2 50 ARG QD 2 51 ILE H 5.038 . 6.038 3.437 1.963 4.636 . 0 0 "[ . 1 ]" 1
879 1 50 ARG HE 1 51 ILE H 4.426 . 6.196 5.047 4.029 5.975 . 0 0 "[ . 1 ]" 1
880 2 50 ARG HE 2 51 ILE H 4.426 . 6.196 4.969 4.206 5.604 . 0 0 "[ . 1 ]" 1
881 1 51 ILE QG 1 52 GLY H 6.696 . 6.696 3.608 3.087 4.122 . 0 0 "[ . 1 ]" 1
882 2 51 ILE QG 2 52 GLY H 6.696 . 6.696 3.559 3.199 4.180 . 0 0 "[ . 1 ]" 1
883 1 51 ILE H 1 52 GLY QA 4.432 . 5.432 4.725 4.162 4.910 . 0 0 "[ . 1 ]" 1
884 2 51 ILE H 2 52 GLY QA 4.432 . 5.432 4.728 3.968 4.929 . 0 0 "[ . 1 ]" 1
885 1 3 GLY H 1 5 SER H 3.443 . 7.058 4.753 3.710 5.806 . 0 0 "[ . 1 ]" 1
886 2 3 GLY H 2 5 SER H 3.443 . 7.058 5.045 3.541 6.888 . 0 0 "[ . 1 ]" 1
887 1 3 GLY H 1 7 MET H 4.444 . 9.110 6.588 4.780 8.080 . 0 0 "[ . 1 ]" 1
888 2 3 GLY H 2 7 MET H 4.444 . 9.110 6.327 3.108 8.483 . 0 0 "[ . 1 ]" 1
889 1 4 MET HA 1 6 LYS H 4.422 . 8.181 5.878 4.349 6.761 . 0 0 "[ . 1 ]" 1
890 2 4 MET HA 2 6 LYS H 4.422 . 8.181 5.710 4.536 6.620 . 0 0 "[ . 1 ]" 1
891 1 4 MET QB 1 6 LYS H 7.766 . 7.766 4.655 3.803 5.448 . 0 0 "[ . 1 ]" 1
892 2 4 MET QB 2 6 LYS H 7.764 . 7.764 4.564 3.473 5.585 . 0 0 "[ . 1 ]" 1
893 1 4 MET H 1 8 PRO QD 4.448 . 5.448 4.072 2.209 4.915 . 0 0 "[ . 1 ]" 1
894 2 4 MET H 2 8 PRO QD 4.448 . 5.448 3.883 2.727 4.950 . 0 0 "[ . 1 ]" 1
895 1 5 SER QB 1 7 MET H 4.123 . 5.123 4.043 3.103 4.705 . 0 0 "[ . 1 ]" 1
896 2 5 SER QB 2 7 MET H 4.123 . 5.123 4.076 2.995 4.681 . 0 0 "[ . 1 ]" 1
897 1 5 SER H 1 7 MET H 2.860 . 5.577 4.638 3.323 5.576 . 0 0 "[ . 1 ]" 1
898 2 5 SER H 2 7 MET H 2.860 . 5.577 4.240 2.914 5.709 0.132 4 0 "[ . 1 ]" 1
899 1 5 SER H 1 9 GLN HA 4.716 . 9.196 6.992 4.337 9.224 0.028 14 0 "[ . 1 ]" 1
900 2 5 SER H 2 9 GLN HA 4.716 . 9.196 7.211 4.409 9.276 0.080 3 0 "[ . 1 ]" 1
901 1 6 LYS H 1 8 PRO QD 4.907 . 5.907 3.813 1.797 5.379 0.003 6 0 "[ . 1 ]" 1
902 2 6 LYS H 2 8 PRO QD 4.907 . 5.907 3.607 1.710 5.366 0.090 9 0 "[ . 1 ]" 1
903 1 7 MET H 1 9 GLN HA 4.510 . 7.442 6.226 4.905 7.444 0.002 5 0 "[ . 1 ]" 1
904 2 7 MET H 2 9 GLN HA 4.510 . 7.442 6.478 4.839 7.425 . 0 0 "[ . 1 ]" 1
905 1 12 LEU QB 1 14 TRP HE1 5.014 . 6.014 2.474 2.369 2.962 . 0 0 "[ . 1 ]" 1
906 2 12 LEU QB 2 14 TRP HE1 5.014 . 6.014 2.490 2.365 2.798 . 0 0 "[ . 1 ]" 1
907 1 16 ARG HE 1 20 ASP QB 4.702 . 5.702 3.995 3.334 4.420 . 0 0 "[ . 1 ]" 1
908 2 16 ARG HE 2 20 ASP QB 4.702 . 5.702 3.752 3.264 4.413 . 0 0 "[ . 1 ]" 1
909 1 16 ARG HE 1 19 LEU QD 5.458 . 7.858 5.462 4.824 5.629 . 0 0 "[ . 1 ]" 1
910 2 16 ARG HE 2 19 LEU QD 5.458 . 7.858 5.543 5.432 5.599 . 0 0 "[ . 1 ]" 1
911 1 18 VAL H 1 20 ASP H 4.999 . 4.999 3.968 3.774 4.073 . 0 0 "[ . 1 ]" 1
912 2 18 VAL H 2 20 ASP H 4.999 . 4.999 3.991 3.889 4.136 . 0 0 "[ . 1 ]" 1
913 1 18 VAL HA 1 21 LEU H 4.445 . 4.445 3.519 3.414 3.772 . 0 0 "[ . 1 ]" 1
914 2 18 VAL HA 2 21 LEU H 4.445 . 4.445 3.532 3.414 3.629 . 0 0 "[ . 1 ]" 1
915 1 19 LEU H 1 21 LEU H 4.630 . 4.630 4.100 3.928 4.290 . 0 0 "[ . 1 ]" 1
916 2 19 LEU H 2 21 LEU H 4.630 . 4.630 4.069 3.923 4.241 . 0 0 "[ . 1 ]" 1
917 1 20 ASP HA 1 23 ARG HE 4.103 . 6.565 5.095 1.868 5.728 . 0 0 "[ . 1 ]" 1
918 2 20 ASP HA 2 23 ARG HE 4.103 . 6.565 4.844 3.704 5.688 . 0 0 "[ . 1 ]" 1
919 1 20 ASP H 1 23 ARG QB 4.638 . 5.638 4.844 4.740 4.903 . 0 0 "[ . 1 ]" 1
920 2 20 ASP H 2 23 ARG QB 4.638 . 5.638 4.882 4.791 4.977 . 0 0 "[ . 1 ]" 1
921 1 20 ASP H 1 23 ARG H 4.664 . 4.664 4.472 4.392 4.606 . 0 0 "[ . 1 ]" 1
922 2 20 ASP H 2 23 ARG H 4.664 . 4.664 4.462 4.415 4.551 . 0 0 "[ . 1 ]" 1
923 1 21 LEU HA 1 23 ARG H 4.693 . 4.693 4.018 3.893 4.211 . 0 0 "[ . 1 ]" 1
924 2 21 LEU HA 2 23 ARG H 4.693 . 4.693 3.931 3.799 4.078 . 0 0 "[ . 1 ]" 1
925 1 21 LEU QD 1 23 ARG H 6.077 . 8.477 5.030 4.840 5.205 . 0 0 "[ . 1 ]" 1
926 2 21 LEU QD 2 23 ARG H 6.077 . 8.477 5.055 4.968 5.227 . 0 0 "[ . 1 ]" 1
927 1 21 LEU H 1 23 ARG H 4.529 . 4.529 3.659 3.572 3.785 . 0 0 "[ . 1 ]" 1
928 2 21 LEU H 2 23 ARG H 4.529 . 4.529 3.632 3.491 3.740 . 0 0 "[ . 1 ]" 1
929 1 21 LEU H 1 24 LYS QB 4.530 . 5.530 4.627 4.415 4.737 . 0 0 "[ . 1 ]" 1
930 2 21 LEU H 2 24 LYS QB 4.530 . 5.530 4.714 4.563 4.878 . 0 0 "[ . 1 ]" 1
931 1 21 LEU H 1 24 LYS H 4.796 . 4.796 4.321 4.198 4.424 . 0 0 "[ . 1 ]" 1
932 2 21 LEU H 2 24 LYS H 4.796 . 4.796 4.372 4.284 4.456 . 0 0 "[ . 1 ]" 1
933 1 21 LEU QB 1 25 VAL H 4.601 . 5.601 4.997 4.733 5.107 . 0 0 "[ . 1 ]" 1
934 2 21 LEU QB 2 25 VAL H 4.601 . 5.601 5.023 4.871 5.091 . 0 0 "[ . 1 ]" 1
935 1 22 VAL H 1 24 LYS H 4.237 . 4.237 3.745 3.687 3.823 . 0 0 "[ . 1 ]" 1
936 2 22 VAL H 2 24 LYS H 4.237 . 4.237 3.817 3.716 3.926 . 0 0 "[ . 1 ]" 1
937 1 23 ARG HE 1 26 ALA H 4.956 . 7.930 6.242 5.282 8.005 0.075 1 0 "[ . 1 ]" 1
938 2 23 ARG HE 2 26 ALA H 4.956 . 7.930 6.634 5.245 8.063 0.133 12 0 "[ . 1 ]" 1
939 1 24 LYS H 1 26 ALA H 4.704 . 4.704 4.024 3.849 4.132 . 0 0 "[ . 1 ]" 1
940 2 24 LYS H 2 26 ALA H 4.704 . 4.704 4.040 3.885 4.217 . 0 0 "[ . 1 ]" 1
941 1 24 LYS H 1 27 GLU H 4.751 . 4.751 4.868 4.822 4.885 0.134 3 0 "[ . 1 ]" 1
942 2 24 LYS H 2 27 GLU H 4.751 . 4.751 4.868 4.850 4.901 0.150 1 0 "[ . 1 ]" 1
943 1 25 VAL QG 1 29 ASN H 5.185 . 7.585 4.003 3.831 4.204 . 0 0 "[ . 1 ]" 1
944 2 25 VAL QG 2 29 ASN H 5.185 . 7.585 4.024 3.857 4.341 . 0 0 "[ . 1 ]" 1
945 1 26 ALA MB 1 28 GLU H 5.858 . 6.158 4.644 4.574 4.730 . 0 0 "[ . 1 ]" 1
946 2 26 ALA MB 2 28 GLU H 5.858 . 6.158 4.654 4.516 4.754 . 0 0 "[ . 1 ]" 1
947 1 26 ALA H 1 28 GLU H 4.914 . 4.914 4.243 4.169 4.321 . 0 0 "[ . 1 ]" 1
948 2 26 ALA H 2 28 GLU H 4.914 . 4.914 4.271 4.211 4.380 . 0 0 "[ . 1 ]" 1
949 1 26 ALA HA 1 29 ASN H 3.719 . 3.719 3.729 3.544 3.811 0.092 4 0 "[ . 1 ]" 1
950 2 26 ALA HA 2 29 ASN H 3.719 . 3.719 3.742 3.628 3.806 0.087 1 0 "[ . 1 ]" 1
951 1 26 ALA MB 1 29 ASN H 5.851 . 6.151 4.922 4.752 5.007 . 0 0 "[ . 1 ]" 1
952 2 26 ALA MB 2 29 ASN H 5.851 . 6.151 4.931 4.760 5.012 . 0 0 "[ . 1 ]" 1
953 1 27 GLU QB 1 29 ASN H 4.043 . 5.043 4.672 4.660 4.688 . 0 0 "[ . 1 ]" 1
954 2 27 GLU QB 2 29 ASN H 4.043 . 5.043 4.671 4.656 4.684 . 0 0 "[ . 1 ]" 1
955 1 27 GLU H 1 29 ASN H 4.852 . 4.852 4.255 4.197 4.310 . 0 0 "[ . 1 ]" 1
956 2 27 GLU H 2 29 ASN H 4.852 . 4.852 4.255 4.117 4.303 . 0 0 "[ . 1 ]" 1
957 1 28 GLU QB 1 30 GLY H 4.464 . 4.464 4.127 4.088 4.157 . 0 0 "[ . 1 ]" 1
958 2 28 GLU QB 2 30 GLY H 4.463 . 4.463 4.121 4.087 4.153 . 0 0 "[ . 1 ]" 1
959 1 28 GLU QG 1 30 GLY H 4.394 . 5.394 5.051 5.034 5.065 . 0 0 "[ . 1 ]" 1
960 2 28 GLU QG 2 30 GLY H 4.394 . 5.394 5.050 5.039 5.065 . 0 0 "[ . 1 ]" 1
961 1 28 GLU H 1 30 GLY H 4.158 . 4.158 3.675 3.634 3.720 . 0 0 "[ . 1 ]" 1
962 2 28 GLU H 2 30 GLY H 4.158 . 4.158 3.669 3.557 3.708 . 0 0 "[ . 1 ]" 1
963 1 29 ASN QD 1 31 MET H 5.990 . 6.990 5.237 4.525 5.403 . 0 0 "[ . 1 ]" 1
964 2 29 ASN QD 2 31 MET H 5.990 . 6.990 5.312 4.514 5.755 . 0 0 "[ . 1 ]" 1
965 1 29 ASN H 1 31 MET H 4.188 . 4.188 4.271 4.251 4.306 0.118 13 0 "[ . 1 ]" 1
966 2 29 ASN H 2 31 MET H 4.188 . 4.188 4.273 4.251 4.294 0.106 13 0 "[ . 1 ]" 1
967 1 33 VAL HA 1 35 SER H 5.002 . 5.002 4.616 4.500 4.712 . 0 0 "[ . 1 ]" 1
968 2 33 VAL HA 2 35 SER H 5.002 . 5.002 4.602 4.389 4.737 . 0 0 "[ . 1 ]" 1
969 1 33 VAL QG 1 35 SER H 5.837 . 8.237 4.411 4.277 4.490 . 0 0 "[ . 1 ]" 1
970 2 33 VAL QG 2 35 SER H 5.837 . 8.237 4.409 4.221 4.481 . 0 0 "[ . 1 ]" 1
971 1 33 VAL H 1 35 SER H 5.136 . 5.136 4.660 4.411 4.870 . 0 0 "[ . 1 ]" 1
972 2 33 VAL H 2 35 SER H 5.136 . 5.136 4.631 4.296 4.790 . 0 0 "[ . 1 ]" 1
973 1 35 SER HA 1 38 TYR H 4.519 . 4.519 3.513 3.442 3.582 . 0 0 "[ . 1 ]" 1
974 2 35 SER HA 2 38 TYR H 4.519 . 4.519 3.518 3.457 3.564 . 0 0 "[ . 1 ]" 1
975 1 35 SER H 1 38 TYR H 4.746 . 4.746 4.822 4.746 4.852 0.106 6 0 "[ . 1 ]" 1
976 2 35 SER H 2 38 TYR H 4.746 . 4.746 4.817 4.778 4.860 0.114 11 0 "[ . 1 ]" 1
977 1 36 TYR QE 1 38 TYR H 4.991 . 6.991 6.671 6.638 6.719 . 0 0 "[ . 1 ]" 1
978 2 36 TYR QE 2 38 TYR H 4.991 . 6.991 6.679 6.628 6.734 . 0 0 "[ . 1 ]" 1
979 1 36 TYR QE 1 40 LEU H 4.878 . 6.878 5.637 5.447 5.792 . 0 0 "[ . 1 ]" 1
980 2 36 TYR QE 2 40 LEU H 4.878 . 6.878 5.642 5.447 5.806 . 0 0 "[ . 1 ]" 1
981 1 37 ILE MG 1 39 GLN H 5.230 . 5.530 4.712 4.689 4.735 . 0 0 "[ . 1 ]" 1
982 2 37 ILE MG 2 39 GLN H 5.230 . 5.530 4.709 4.692 4.723 . 0 0 "[ . 1 ]" 1
983 1 37 ILE H 1 40 LEU HG 4.559 . 4.559 4.573 4.498 4.631 0.072 11 0 "[ . 1 ]" 1
984 2 37 ILE H 2 40 LEU HG 4.559 . 4.559 4.583 4.529 4.628 0.069 3 0 "[ . 1 ]" 1
985 1 37 ILE H 1 40 LEU H 4.962 . 4.962 4.541 4.501 4.588 . 0 0 "[ . 1 ]" 1
986 2 37 ILE H 2 40 LEU H 4.962 . 4.962 4.527 4.477 4.593 . 0 0 "[ . 1 ]" 1
987 1 38 TYR H 1 40 LEU HG 4.948 . 4.948 5.011 4.979 5.044 0.096 3 0 "[ . 1 ]" 1
988 2 38 TYR H 2 40 LEU HG 4.948 . 4.948 5.008 4.977 5.047 0.099 5 0 "[ . 1 ]" 1
989 1 38 TYR H 1 40 LEU H 4.853 . 4.853 3.712 3.636 3.752 . 0 0 "[ . 1 ]" 1
990 2 38 TYR H 2 40 LEU H 4.853 . 4.853 3.692 3.649 3.738 . 0 0 "[ . 1 ]" 1
991 1 39 GLN QE 1 42 MET QG 4.494 . 6.494 3.818 3.311 4.351 . 0 0 "[ . 1 ]" 1
992 2 39 GLN QE 2 42 MET QG 4.494 . 6.494 3.625 3.202 4.283 . 0 0 "[ . 1 ]" 1
993 1 40 LEU H 1 42 MET H 4.322 . 4.322 3.555 3.469 3.670 . 0 0 "[ . 1 ]" 1
994 2 40 LEU H 2 42 MET H 4.322 . 4.322 3.610 3.515 3.735 . 0 0 "[ . 1 ]" 1
995 1 40 LEU QD 1 43 GLU H 5.323 . 7.723 4.348 4.130 4.579 . 0 0 "[ . 1 ]" 1
996 2 40 LEU QD 2 43 GLU H 5.323 . 7.723 4.303 4.163 4.388 . 0 0 "[ . 1 ]" 1
997 1 41 VAL QG 1 43 GLU H 5.904 . 5.904 4.357 4.229 4.620 . 0 0 "[ . 1 ]" 1
998 2 41 VAL QG 2 43 GLU H 5.890 . 5.890 4.309 4.227 4.448 . 0 0 "[ . 1 ]" 1
999 1 41 VAL H 1 43 GLU H 4.214 . 4.214 3.886 3.696 3.958 . 0 0 "[ . 1 ]" 1
1000 2 41 VAL H 2 43 GLU H 4.214 . 4.214 3.858 3.708 3.932 . 0 0 "[ . 1 ]" 1
1001 1 41 VAL HA 1 44 SER H 4.477 . 4.477 3.560 3.263 3.737 . 0 0 "[ . 1 ]" 1
1002 2 41 VAL HA 2 44 SER H 4.477 . 4.477 3.475 3.172 3.724 . 0 0 "[ . 1 ]" 1
1003 1 41 VAL QG 1 44 SER H 5.920 . 8.320 4.689 4.486 4.821 . 0 0 "[ . 1 ]" 1
1004 2 41 VAL QG 2 44 SER H 5.920 . 8.320 4.620 4.442 4.763 . 0 0 "[ . 1 ]" 1
1005 1 41 VAL H 1 45 PHE QD 4.778 . 6.778 5.340 5.112 6.007 . 0 0 "[ . 1 ]" 1
1006 2 41 VAL H 2 45 PHE QD 4.778 . 6.778 5.696 5.127 6.344 . 0 0 "[ . 1 ]" 1
1007 1 42 MET HA 1 44 SER H 4.362 . 4.362 3.941 3.654 4.129 . 0 0 "[ . 1 ]" 1
1008 2 42 MET HA 2 44 SER H 4.362 . 4.362 3.918 3.796 4.051 . 0 0 "[ . 1 ]" 1
1009 1 42 MET QB 1 44 SER H 4.639 . 5.639 4.682 4.472 4.819 . 0 0 "[ . 1 ]" 1
1010 2 42 MET QB 2 44 SER H 4.639 . 5.639 4.606 4.484 4.726 . 0 0 "[ . 1 ]" 1
1011 1 42 MET H 1 45 PHE QB 4.822 . 5.822 4.941 4.782 5.179 . 0 0 "[ . 1 ]" 1
1012 2 42 MET H 2 45 PHE QB 4.822 . 5.822 4.982 4.807 5.111 . 0 0 "[ . 1 ]" 1
1013 1 42 MET ME 1 44 SER H 6.056 . 6.356 5.207 5.143 5.261 . 0 0 "[ . 1 ]" 1
1014 2 42 MET ME 2 44 SER H 6.056 . 6.356 5.183 5.088 5.225 . 0 0 "[ . 1 ]" 1
1015 1 44 SER H 1 46 LYS QB 3.716 . 4.716 4.090 3.970 4.220 . 0 0 "[ . 1 ]" 1
1016 2 44 SER H 2 46 LYS QB 3.716 . 4.716 4.092 3.981 4.187 . 0 0 "[ . 1 ]" 1
1017 1 45 PHE QB 1 47 LYS H 4.938 . 5.938 5.302 4.576 5.442 . 0 0 "[ . 1 ]" 1
1018 2 45 PHE QB 2 47 LYS H 4.938 . 5.938 5.364 5.154 5.480 . 0 0 "[ . 1 ]" 1
1019 1 45 PHE HA 1 48 GLU H 5.138 . 6.679 4.895 3.838 6.111 . 0 0 "[ . 1 ]" 1
1020 2 45 PHE HA 2 48 GLU H 5.138 . 6.679 5.001 4.284 5.980 . 0 0 "[ . 1 ]" 1
1021 1 45 PHE HA 1 49 GLY H 4.776 . 6.209 5.033 4.300 5.649 . 0 0 "[ . 1 ]" 1
1022 2 45 PHE HA 2 49 GLY H 4.776 . 6.209 5.020 4.616 5.631 . 0 0 "[ . 1 ]" 1
1023 1 46 LYS QB 1 48 GLU H 3.449 . 4.449 3.673 2.997 4.249 . 0 0 "[ . 1 ]" 1
1024 2 46 LYS QB 2 48 GLU H 3.449 . 4.449 3.767 2.901 4.335 . 0 0 "[ . 1 ]" 1
1025 1 46 LYS QE 1 48 GLU H 4.913 . 5.913 4.690 3.295 5.432 . 0 0 "[ . 1 ]" 1
1026 2 46 LYS QE 2 48 GLU H 4.913 . 5.913 5.045 4.214 5.465 . 0 0 "[ . 1 ]" 1
1027 1 46 LYS H 1 48 GLU QB 4.721 . 5.721 4.627 3.751 5.123 . 0 0 "[ . 1 ]" 1
1028 2 46 LYS H 2 48 GLU QB 4.721 . 5.721 4.525 3.484 4.959 . 0 0 "[ . 1 ]" 1
1029 1 46 LYS H 1 48 GLU QG 5.911 . 5.911 5.085 4.073 5.559 . 0 0 "[ . 1 ]" 1
1030 2 46 LYS H 2 48 GLU QG 5.912 . 5.912 5.121 4.882 5.401 . 0 0 "[ . 1 ]" 1
1031 1 46 LYS H 1 50 ARG HE 4.774 . 6.684 2.536 1.711 3.710 0.089 2 0 "[ . 1 ]" 1
1032 2 46 LYS H 2 50 ARG HE 4.774 . 6.684 2.846 1.777 4.487 0.023 7 0 "[ . 1 ]" 1
1033 1 47 LYS HA 1 49 GLY H 3.637 . 4.728 4.042 3.267 4.917 0.189 5 0 "[ . 1 ]" 1
1034 2 47 LYS HA 2 49 GLY H 3.637 . 4.728 3.929 2.992 4.748 0.020 7 0 "[ . 1 ]" 1
1035 1 47 LYS QD 1 49 GLY H 4.333 . 5.333 4.750 4.431 4.991 . 0 0 "[ . 1 ]" 1
1036 2 47 LYS QD 2 49 GLY H 4.333 . 5.333 4.695 4.255 5.016 . 0 0 "[ . 1 ]" 1
1037 1 48 GLU QB 1 50 ARG H 5.482 . 5.482 4.331 3.397 4.964 . 0 0 "[ . 1 ]" 1
1038 2 48 GLU QB 2 50 ARG H 5.481 . 5.481 4.450 3.842 4.928 . 0 0 "[ . 1 ]" 1
1039 1 48 GLU H 1 50 ARG HE 4.699 . 6.579 2.661 1.790 3.379 0.010 6 0 "[ . 1 ]" 1
1040 2 48 GLU H 2 50 ARG HE 4.699 . 6.579 2.703 2.048 3.772 . 0 0 "[ . 1 ]" 1
1041 1 49 GLY H 1 51 ILE MG 6.164 . 6.464 5.262 4.862 5.503 . 0 0 "[ . 1 ]" 1
1042 2 49 GLY H 2 51 ILE MG 6.164 . 6.464 5.297 4.657 5.608 . 0 0 "[ . 1 ]" 1
1043 1 49 GLY H 1 51 ILE H 4.124 . 5.361 5.101 4.751 5.432 0.071 8 0 "[ . 1 ]" 1
1044 2 49 GLY H 2 51 ILE H 4.124 . 5.361 5.129 4.672 5.509 0.148 5 0 "[ . 1 ]" 1
1045 1 49 GLY H 1 53 ALA H 3.157 . 7.419 6.334 5.402 7.418 . 0 0 "[ . 1 ]" 1
1046 2 49 GLY H 2 53 ALA H 3.157 . 7.419 5.977 4.732 6.945 . 0 0 "[ . 1 ]" 1
1047 1 50 ARG QB 1 52 GLY H 4.211 . 5.211 3.758 3.000 4.052 . 0 0 "[ . 1 ]" 1
1048 2 50 ARG QB 2 52 GLY H 4.211 . 5.211 4.059 3.783 4.712 . 0 0 "[ . 1 ]" 1
1049 1 50 ARG H 1 52 GLY H 4.115 . 7.407 3.669 2.923 6.107 . 0 0 "[ . 1 ]" 1
1050 2 50 ARG H 2 52 GLY H 4.115 . 7.407 3.593 3.110 4.304 . 0 0 "[ . 1 ]" 1
1051 1 51 ILE HB 1 53 ALA H 4.103 . 9.642 7.358 6.831 8.092 . 0 0 "[ . 1 ]" 1
1052 2 51 ILE HB 2 53 ALA H 4.103 . 9.642 7.239 6.810 7.839 . 0 0 "[ . 1 ]" 1
1053 1 51 ILE H 1 53 ALA H 4.364 . 10.255 5.805 4.617 7.075 . 0 0 "[ . 1 ]" 1
1054 2 51 ILE H 2 53 ALA H 4.364 . 10.255 5.603 4.525 6.785 . 0 0 "[ . 1 ]" 1
1055 1 3 GLY H 1 8 PRO QD 4.620 . 5.620 4.724 3.774 5.127 . 0 0 "[ . 1 ]" 1
1056 2 3 GLY H 2 8 PRO QD 4.620 . 5.620 4.871 4.582 5.019 . 0 0 "[ . 1 ]" 1
1057 1 5 SER H 2 14 TRP HA 4.883 . 9.522 7.002 4.865 8.932 . 0 0 "[ . 1 ]" 1
1058 1 14 TRP HA 2 5 SER H 4.883 . 9.522 6.888 4.912 8.875 . 0 0 "[ . 1 ]" 1
1059 1 6 LYS H 2 14 TRP HA 4.784 . 8.850 7.233 5.883 8.042 . 0 0 "[ . 1 ]" 1
1060 1 14 TRP HA 2 6 LYS H 4.784 . 8.850 7.181 6.355 7.953 . 0 0 "[ . 1 ]" 1
1061 1 7 MET H 2 13 ARG QD 4.687 . 5.687 4.579 4.060 4.845 . 0 0 "[ . 1 ]" 1
1062 1 13 ARG QD 2 7 MET H 4.687 . 5.687 4.754 4.329 4.897 . 0 0 "[ . 1 ]" 1
1063 1 7 MET H 2 16 ARG H 4.631 . 7.641 6.935 6.294 7.574 . 0 0 "[ . 1 ]" 1
1064 1 16 ARG H 2 7 MET H 4.631 . 7.641 7.136 6.177 7.623 . 0 0 "[ . 1 ]" 1
1065 1 9 GLN QE 2 11 ASN QB 4.876 . 4.876 3.348 2.713 3.936 . 0 0 "[ . 1 ]" 1
1066 1 11 ASN QB 2 9 GLN QE 4.880 . 4.880 3.528 2.930 3.958 . 0 0 "[ . 1 ]" 1
1067 1 9 GLN QE 2 13 ARG QB 4.602 . 6.602 4.937 4.560 5.164 . 0 0 "[ . 1 ]" 1
1068 1 13 ARG QB 2 9 GLN QE 4.602 . 6.602 4.931 4.667 5.036 . 0 0 "[ . 1 ]" 1
1069 1 9 GLN QE 2 13 ARG QD 4.609 . 6.609 4.139 3.562 4.528 . 0 0 "[ . 1 ]" 1
1070 1 13 ARG QD 2 9 GLN QE 4.609 . 6.609 4.078 3.677 4.529 . 0 0 "[ . 1 ]" 1
1071 1 9 GLN QE 2 13 ARG HE 4.751 . 5.751 2.760 1.595 3.654 0.205 6 0 "[ . 1 ]" 1
1072 1 13 ARG HE 2 9 GLN QE 4.751 . 5.751 2.892 1.717 3.668 0.083 1 0 "[ . 1 ]" 1
1073 1 9 GLN QE 2 13 ARG QG 4.583 . 6.583 3.022 2.562 3.402 . 0 0 "[ . 1 ]" 1
1074 1 13 ARG QG 2 9 GLN QE 4.583 . 6.583 3.080 2.649 3.454 . 0 0 "[ . 1 ]" 1
1075 1 10 PHE H 2 12 LEU HA 4.718 . 4.718 4.552 4.373 4.770 0.052 5 0 "[ . 1 ]" 1
1076 1 12 LEU HA 2 10 PHE H 4.718 . 4.718 4.539 4.456 4.773 0.055 3 0 "[ . 1 ]" 1
1077 1 10 PHE H 2 12 LEU QD 5.869 . 5.869 4.086 2.821 4.461 . 0 0 "[ . 1 ]" 1
1078 1 12 LEU QD 2 10 PHE H 5.880 . 5.880 4.186 2.865 4.466 . 0 0 "[ . 1 ]" 1
1079 1 10 PHE H 2 14 TRP H 4.796 . 5.755 4.498 4.001 5.346 . 0 0 "[ . 1 ]" 1
1080 1 14 TRP H 2 10 PHE H 4.796 . 5.755 4.539 3.902 5.062 . 0 0 "[ . 1 ]" 1
1081 1 10 PHE H 2 19 LEU QD 5.582 . 7.982 4.332 3.902 4.613 . 0 0 "[ . 1 ]" 1
1082 1 19 LEU QD 2 10 PHE H 5.582 . 7.982 4.245 3.770 4.503 . 0 0 "[ . 1 ]" 1
1083 1 11 ASN QD 2 9 GLN QB 5.417 . 7.417 5.217 3.850 5.995 . 0 0 "[ . 1 ]" 1
1084 1 9 GLN QB 2 11 ASN QD 5.417 . 7.417 5.621 4.200 6.011 . 0 0 "[ . 1 ]" 1
1085 1 11 ASN QD 2 9 GLN QE 4.507 . 6.507 4.325 3.309 4.925 . 0 0 "[ . 1 ]" 1
1086 1 9 GLN QE 2 11 ASN QD 4.507 . 6.507 4.492 3.089 5.221 . 0 0 "[ . 1 ]" 1
1087 1 12 LEU H 2 9 GLN QG 4.649 . 5.649 3.607 2.907 4.871 . 0 0 "[ . 1 ]" 1
1088 1 9 GLN QG 2 12 LEU H 4.649 . 5.649 3.394 2.841 4.887 . 0 0 "[ . 1 ]" 1
1089 1 12 LEU H 2 10 PHE QD 4.841 . 6.841 4.427 4.242 4.852 . 0 0 "[ . 1 ]" 1
1090 1 10 PHE QD 2 12 LEU H 4.841 . 6.841 4.495 4.318 4.736 . 0 0 "[ . 1 ]" 1
1091 1 13 ARG HE 2 9 GLN HA 4.733 . 8.046 5.448 3.784 6.436 . 0 0 "[ . 1 ]" 1
1092 1 9 GLN HA 2 13 ARG HE 4.733 . 8.046 5.269 3.731 5.947 . 0 0 "[ . 1 ]" 1
1093 1 13 ARG HE 2 9 GLN QG 3.743 . 4.743 3.800 3.330 4.125 . 0 0 "[ . 1 ]" 1
1094 1 9 GLN QG 2 13 ARG HE 3.743 . 4.743 3.765 3.282 3.976 . 0 0 "[ . 1 ]" 1
1095 1 13 ARG HE 2 9 GLN H 4.655 . 7.914 6.957 4.270 7.927 0.013 6 0 "[ . 1 ]" 1
1096 1 9 GLN H 2 13 ARG HE 4.655 . 7.914 6.715 4.098 7.656 . 0 0 "[ . 1 ]" 1
1097 1 14 TRP H 2 5 SER QB 4.452 . 5.452 4.847 4.297 5.062 . 0 0 "[ . 1 ]" 1
1098 1 5 SER QB 2 14 TRP H 4.452 . 5.452 4.899 4.620 5.050 . 0 0 "[ . 1 ]" 1
1099 1 21 LEU H 2 45 PHE QE 4.927 . 6.927 5.411 4.868 5.834 . 0 0 "[ . 1 ]" 1
1100 1 45 PHE QE 2 21 LEU H 4.927 . 6.927 5.463 5.085 5.832 . 0 0 "[ . 1 ]" 1
1101 1 22 VAL H 2 45 PHE QD 4.930 . 6.930 5.876 5.402 6.184 . 0 0 "[ . 1 ]" 1
1102 1 45 PHE QD 2 22 VAL H 4.930 . 6.930 5.908 5.508 6.263 . 0 0 "[ . 1 ]" 1
1103 1 25 VAL QG 1 30 GLY H 5.866 . 8.266 5.587 5.370 5.737 . 0 0 "[ . 1 ]" 1
1104 2 25 VAL QG 2 30 GLY H 5.866 . 8.266 5.592 5.299 5.941 . 0 0 "[ . 1 ]" 1
1105 1 26 ALA MB 1 31 MET H 5.122 . 5.422 3.599 3.445 3.798 . 0 0 "[ . 1 ]" 1
1106 2 26 ALA MB 2 31 MET H 5.122 . 5.422 3.596 3.362 3.789 . 0 0 "[ . 1 ]" 1
1107 1 45 PHE QD 1 50 ARG HE 4.028 . 6.028 4.428 2.861 5.438 . 0 0 "[ . 1 ]" 1
1108 2 45 PHE QD 2 50 ARG HE 4.028 . 6.028 4.326 3.073 5.215 . 0 0 "[ . 1 ]" 1
1109 1 45 PHE QD 1 50 ARG H 4.584 . 6.584 5.440 4.665 6.168 . 0 0 "[ . 1 ]" 1
1110 2 45 PHE QD 2 50 ARG H 4.584 . 6.584 5.527 4.862 6.262 . 0 0 "[ . 1 ]" 1
1111 1 45 PHE QB 1 51 ILE H 4.999 . 5.999 3.723 2.708 4.511 . 0 0 "[ . 1 ]" 1
1112 2 45 PHE QB 2 51 ILE H 4.999 . 5.999 3.357 2.196 4.791 . 0 0 "[ . 1 ]" 1
1113 1 14 TRP QB 1 14 TRP HZ2 5.763 . 5.763 5.412 5.387 5.422 . 0 0 "[ . 1 ]" 1
1114 2 14 TRP QB 2 14 TRP HZ2 5.763 . 5.763 5.415 5.406 5.425 . 0 0 "[ . 1 ]" 1
1115 1 13 ARG H 1 14 TRP HZ2 5.905 . 5.905 5.843 5.652 6.041 0.136 3 0 "[ . 1 ]" 1
1116 2 13 ARG H 2 14 TRP HZ2 5.905 . 5.905 5.867 5.701 6.023 0.118 5 0 "[ . 1 ]" 1
1117 1 20 ASP QB 1 21 LEU HA 5.093 . 5.093 4.077 3.957 4.189 . 0 0 "[ . 1 ]" 1
1118 2 20 ASP QB 2 21 LEU HA 5.093 . 5.093 4.082 3.985 4.181 . 0 0 "[ . 1 ]" 1
1119 1 20 ASP H 1 21 LEU HA 5.130 . 5.130 5.229 5.058 5.376 0.246 8 0 "[ . 1 ]" 1
1120 2 20 ASP H 2 21 LEU HA 5.130 . 5.130 5.215 5.132 5.348 0.218 9 0 "[ . 1 ]" 1
1121 1 24 LYS H 1 25 VAL QG 7.083 . 7.083 4.217 4.112 4.341 . 0 0 "[ . 1 ]" 1
1122 2 24 LYS H 2 25 VAL QG 7.083 . 7.083 4.218 4.065 4.451 . 0 0 "[ . 1 ]" 1
1123 1 26 ALA H 1 27 GLU HA 5.547 . 5.547 5.483 5.424 5.548 0.001 6 0 "[ . 1 ]" 1
1124 2 26 ALA H 2 27 GLU HA 5.547 . 5.547 5.491 5.433 5.549 0.002 4 0 "[ . 1 ]" 1
1125 1 33 VAL H 1 34 ASN HA 5.994 . 5.994 5.512 5.456 5.599 . 0 0 "[ . 1 ]" 1
1126 2 33 VAL H 2 34 ASN HA 5.994 . 5.994 5.507 5.439 5.617 . 0 0 "[ . 1 ]" 1
1127 1 36 TYR QB 1 37 ILE MG 8.998 . 8.998 5.196 5.165 5.240 . 0 0 "[ . 1 ]" 1
1128 2 36 TYR QB 2 37 ILE MG 8.998 . 8.998 5.197 5.160 5.227 . 0 0 "[ . 1 ]" 1
1129 1 36 TYR QD 1 37 ILE MG 9.084 . 9.084 5.185 4.871 5.477 . 0 0 "[ . 1 ]" 1
1130 2 36 TYR QD 2 37 ILE MG 9.084 . 9.084 5.230 4.839 5.485 . 0 0 "[ . 1 ]" 1
1131 1 36 TYR QE 1 37 ILE HB 7.701 . 7.701 6.183 6.112 6.220 . 0 0 "[ . 1 ]" 1
1132 2 36 TYR QE 2 37 ILE HB 7.701 . 7.701 6.187 6.114 6.257 . 0 0 "[ . 1 ]" 1
1133 1 36 TYR H 1 37 ILE HB 5.795 . 5.795 4.759 4.661 4.869 . 0 0 "[ . 1 ]" 1
1134 2 36 TYR H 2 37 ILE HB 5.795 . 5.795 4.795 4.647 4.927 . 0 0 "[ . 1 ]" 1
1135 1 36 TYR QE 1 37 ILE MG 8.268 . 8.268 5.607 5.444 5.889 . 0 0 "[ . 1 ]" 1
1136 2 36 TYR QE 2 37 ILE MG 8.268 . 8.268 5.639 5.384 5.881 . 0 0 "[ . 1 ]" 1
1137 1 40 LEU QD 1 41 VAL QG 8.058 . 8.058 4.168 3.986 4.294 . 0 0 "[ . 1 ]" 1
1138 2 40 LEU QD 2 41 VAL QG 8.037 . 8.037 4.227 4.143 4.305 . 0 0 "[ . 1 ]" 1
1139 1 45 PHE QE 1 46 LYS QG 8.916 . 8.916 6.508 5.504 7.235 . 0 0 "[ . 1 ]" 1
1140 2 45 PHE QE 2 46 LYS QG 8.916 . 8.916 6.968 6.097 7.466 . 0 0 "[ . 1 ]" 1
1141 1 21 LEU HG 1 24 LYS H 5.595 . 5.595 4.875 4.576 5.305 . 0 0 "[ . 1 ]" 1
1142 2 21 LEU HG 2 24 LYS H 5.595 . 5.595 4.864 4.682 5.040 . 0 0 "[ . 1 ]" 1
1143 1 22 VAL H 1 25 VAL HB 5.439 . 5.439 5.538 5.446 5.614 0.175 3 0 "[ . 1 ]" 1
1144 2 22 VAL H 2 25 VAL HB 5.439 . 5.439 5.546 5.466 5.613 0.174 14 0 "[ . 1 ]" 1
1145 1 24 LYS H 1 27 GLU QG 7.062 . 7.062 5.140 4.824 5.240 . 0 0 "[ . 1 ]" 1
1146 2 24 LYS H 2 27 GLU QG 7.062 . 7.062 5.177 5.047 5.347 . 0 0 "[ . 1 ]" 1
1147 1 39 GLN QG 1 42 MET H 7.370 . 7.370 5.159 4.780 5.717 . 0 0 "[ . 1 ]" 1
1148 2 39 GLN QG 2 42 MET H 7.370 . 7.370 5.207 4.829 5.768 . 0 0 "[ . 1 ]" 1
1149 1 40 LEU H 1 43 GLU H 5.213 . 5.213 4.469 4.363 4.553 . 0 0 "[ . 1 ]" 1
1150 2 40 LEU H 2 43 GLU H 5.213 . 5.213 4.443 4.397 4.490 . 0 0 "[ . 1 ]" 1
1151 1 10 PHE QE 2 12 LEU QD 8.896 . 8.896 3.239 3.029 3.614 . 0 0 "[ . 1 ]" 1
1152 1 12 LEU QD 2 10 PHE QE 8.913 . 8.913 3.207 3.006 3.670 . 0 0 "[ . 1 ]" 1
1153 1 10 PHE QE 2 12 LEU HG 8.829 . 8.829 5.775 5.594 6.005 . 0 0 "[ . 1 ]" 1
1154 1 12 LEU HG 2 10 PHE QE 8.829 . 8.829 5.775 5.628 5.989 . 0 0 "[ . 1 ]" 1
1155 1 12 LEU QD 2 10 PHE HZ 10.200 . 10.200 4.983 4.730 5.436 . 0 0 "[ . 1 ]" 1
1156 1 10 PHE HZ 2 12 LEU QD 10.200 . 10.200 4.995 4.784 5.263 . 0 0 "[ . 1 ]" 1
1157 1 21 LEU QD 2 42 MET QG 11.230 . 11.230 5.400 4.808 5.877 . 0 0 "[ . 1 ]" 1
1158 1 42 MET QG 2 21 LEU QD 11.230 . 11.230 5.484 4.774 6.247 . 0 0 "[ . 1 ]" 1
1159 1 38 TYR QE 2 19 LEU QB 10.497 . 10.497 6.692 5.934 7.493 . 0 0 "[ . 1 ]" 1
1160 1 19 LEU QB 2 38 TYR QE 10.497 . 10.497 7.001 5.773 7.490 . 0 0 "[ . 1 ]" 1
1161 1 45 PHE QD 2 40 LEU QB 10.303 . 10.303 6.008 4.877 7.976 . 0 0 "[ . 1 ]" 1
1162 1 40 LEU QB 2 45 PHE QD 10.303 . 10.303 6.314 4.918 7.766 . 0 0 "[ . 1 ]" 1
1163 1 13 ARG HE 1 14 TRP HD1 10.728 . 10.728 8.286 7.905 8.933 . 0 0 "[ . 1 ]" 1
1164 2 13 ARG HE 2 14 TRP HD1 10.728 . 10.728 8.327 7.924 8.956 . 0 0 "[ . 1 ]" 1
1165 1 24 LYS H 1 25 VAL HB 5.929 . 5.929 4.801 4.733 4.973 . 0 0 "[ . 1 ]" 1
1166 2 24 LYS H 2 25 VAL HB 5.929 . 5.929 4.795 4.721 5.048 . 0 0 "[ . 1 ]" 1
1167 1 25 VAL H 1 26 ALA HA 7.226 . 7.226 5.527 5.480 5.571 . 0 0 "[ . 1 ]" 1
1168 2 25 VAL H 2 26 ALA HA 7.226 . 7.226 5.506 5.469 5.552 . 0 0 "[ . 1 ]" 1
1169 1 33 VAL HA 1 34 ASN QD 10.573 . 10.573 5.932 5.373 6.768 . 0 0 "[ . 1 ]" 1
1170 2 33 VAL HA 2 34 ASN QD 10.573 . 10.573 5.689 5.136 6.715 . 0 0 "[ . 1 ]" 1
1171 1 38 TYR H 1 39 GLN QE 7.441 . 7.441 6.409 6.339 6.468 . 0 0 "[ . 1 ]" 1
1172 2 38 TYR H 2 39 GLN QE 7.441 . 7.441 6.399 6.356 6.455 . 0 0 "[ . 1 ]" 1
1173 1 21 LEU QD 1 23 ARG HE 11.091 . 11.091 8.050 6.785 8.289 . 0 0 "[ . 1 ]" 1
1174 2 21 LEU QD 2 23 ARG HE 11.091 . 11.091 8.128 7.927 8.270 . 0 0 "[ . 1 ]" 1
1175 1 25 VAL H 1 27 GLU H 5.580 . 5.580 4.351 4.290 4.413 . 0 0 "[ . 1 ]" 1
1176 2 25 VAL H 2 27 GLU H 5.580 . 5.580 4.323 4.234 4.382 . 0 0 "[ . 1 ]" 1
1177 1 28 GLU QB 1 31 MET H 7.351 . 7.351 6.224 6.157 6.305 . 0 0 "[ . 1 ]" 1
1178 2 28 GLU QB 2 31 MET H 7.351 . 7.351 6.217 6.150 6.276 . 0 0 "[ . 1 ]" 1
1179 1 28 GLU H 1 31 MET H 6.013 . 6.013 5.480 5.363 5.631 . 0 0 "[ . 1 ]" 1
1180 2 28 GLU H 2 31 MET H 6.013 . 6.013 5.476 5.055 5.637 . 0 0 "[ . 1 ]" 1
1181 1 35 SER H 1 36 TYR QE 10.550 . 10.550 8.311 8.237 8.356 . 0 0 "[ . 1 ]" 1
1182 2 35 SER H 2 36 TYR QE 10.550 . 10.550 8.307 8.241 8.350 . 0 0 "[ . 1 ]" 1
1183 1 37 ILE H 1 39 GLN QE 8.591 . 8.591 7.687 7.662 7.712 . 0 0 "[ . 1 ]" 1
1184 2 37 ILE H 2 39 GLN QE 8.591 . 8.591 7.690 7.668 7.712 . 0 0 "[ . 1 ]" 1
1185 1 40 LEU HG 1 42 MET H 6.906 . 6.906 5.712 5.632 5.822 . 0 0 "[ . 1 ]" 1
1186 2 40 LEU HG 2 42 MET H 6.906 . 6.906 5.773 5.604 5.914 . 0 0 "[ . 1 ]" 1
1187 1 9 GLN QE 2 11 ASN H 8.010 . 8.010 6.387 5.325 6.890 . 0 0 "[ . 1 ]" 1
1188 1 11 ASN H 2 9 GLN QE 8.010 . 8.010 6.510 5.588 7.009 . 0 0 "[ . 1 ]" 1
1189 1 9 GLN QE 2 14 TRP H 7.798 . 7.798 6.575 6.300 6.795 . 0 0 "[ . 1 ]" 1
1190 1 14 TRP H 2 9 GLN QE 7.798 . 7.798 6.602 6.249 6.792 . 0 0 "[ . 1 ]" 1
1191 1 14 TRP HZ3 1 19 LEU H 7.284 . 7.284 5.640 4.824 5.897 . 0 0 "[ . 1 ]" 1
1192 2 14 TRP HZ3 2 19 LEU H 7.284 . 7.284 5.735 5.631 5.880 . 0 0 "[ . 1 ]" 1
1193 1 16 ARG HE 1 17 GLU QB 3.961 . 4.961 4.526 4.497 4.550 . 0 0 "[ . 1 ]" 1
1194 2 16 ARG HE 2 17 GLU QB 3.961 . 4.961 4.517 4.498 4.544 . 0 0 "[ . 1 ]" 1
1195 1 33 VAL HB 1 34 ASN H 3.572 . 3.572 3.661 3.628 3.814 0.242 3 0 "[ . 1 ]" 1
1196 2 33 VAL HB 2 34 ASN H 3.572 . 3.572 3.669 3.624 3.799 0.227 12 0 "[ . 1 ]" 1
1197 1 33 VAL H 1 33 VAL HB 3.354 . 3.354 3.546 2.348 3.643 0.289 12 0 "[ . 1 ]" 1
1198 2 33 VAL H 2 33 VAL HB 3.354 . 3.354 3.546 2.349 3.645 0.291 7 0 "[ . 1 ]" 1
1199 1 42 MET QG 1 43 GLU H 3.595 . 4.595 4.300 4.208 4.341 . 0 0 "[ . 1 ]" 1
1200 2 42 MET QG 2 43 GLU H 3.595 . 4.595 4.276 4.235 4.318 . 0 0 "[ . 1 ]" 1
1201 1 19 LEU QB 1 22 VAL H 3.978 . 4.978 4.691 4.273 4.836 . 0 0 "[ . 1 ]" 1
1202 2 19 LEU QB 2 22 VAL H 3.978 . 4.978 4.770 4.579 4.974 . 0 0 "[ . 1 ]" 1
1203 1 46 LYS QB 1 49 GLY H 5.115 . 5.115 4.626 4.473 4.896 . 0 0 "[ . 1 ]" 1
1204 2 46 LYS QB 2 49 GLY H 5.113 . 5.113 4.685 4.348 5.205 0.092 6 0 "[ . 1 ]" 1
1205 1 10 PHE HZ 2 37 ILE QG 3.926 . 4.926 3.900 3.558 4.288 . 0 0 "[ . 1 ]" 1
1206 1 37 ILE QG 2 10 PHE HZ 3.926 . 4.926 3.816 3.484 4.293 . 0 0 "[ . 1 ]" 1
1207 1 12 LEU QD 1 13 ARG H 4.399 . 4.399 3.105 2.872 3.202 . 0 0 "[ . 1 ]" 1
1208 2 12 LEU QD 2 13 ARG H 4.384 . 4.384 3.127 3.064 3.186 . 0 0 "[ . 1 ]" 1
1209 1 12 LEU QD 1 13 ARG QG 3.636 . 7.036 4.394 4.261 4.575 . 0 0 "[ . 1 ]" 1
1210 2 12 LEU QD 2 13 ARG QG 3.636 . 7.036 4.373 4.289 4.576 . 0 0 "[ . 1 ]" 1
1211 1 40 LEU QB 1 43 GLU H 3.838 . 4.838 4.601 4.537 4.670 . 0 0 "[ . 1 ]" 1
1212 2 40 LEU QB 2 43 GLU H 3.838 . 4.838 4.593 4.473 4.650 . 0 0 "[ . 1 ]" 1
1213 1 25 VAL H 2 45 PHE QD 4.458 . 6.458 6.050 5.404 6.233 . 0 0 "[ . 1 ]" 1
1214 1 45 PHE QD 2 25 VAL H 4.458 . 6.458 5.883 5.297 6.187 . 0 0 "[ . 1 ]" 1
1215 1 21 LEU QB 1 24 LYS H 3.874 . 4.874 4.564 4.505 4.687 . 0 0 "[ . 1 ]" 1
1216 2 21 LEU QB 2 24 LYS H 3.874 . 4.874 4.572 4.522 4.606 . 0 0 "[ . 1 ]" 1
1217 1 31 MET QG 1 35 SER QB 3.659 . 5.659 2.991 2.504 4.228 . 0 0 "[ . 1 ]" 1
1218 2 31 MET QG 2 35 SER QB 3.659 . 5.659 3.002 2.545 3.847 . 0 0 "[ . 1 ]" 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 104
_Distance_constraint_stats_list.Viol_count 337
_Distance_constraint_stats_list.Viol_total 248.050
_Distance_constraint_stats_list.Viol_max 0.222
_Distance_constraint_stats_list.Viol_rms 0.0339
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0122
_Distance_constraint_stats_list.Viol_average_violations_only 0.0526
_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 8 PRO 0.425 0.099 5 0 "[ . 1 ]"
1 10 PHE 0.489 0.065 7 0 "[ . 1 ]"
1 12 LEU 0.664 0.093 7 0 "[ . 1 ]"
1 14 TRP 0.743 0.091 1 0 "[ . 1 ]"
1 15 PRO 0.876 0.118 13 0 "[ . 1 ]"
1 16 ARG 0.033 0.033 13 0 "[ . 1 ]"
1 17 GLU 0.716 0.107 8 0 "[ . 1 ]"
1 18 VAL 0.749 0.121 13 0 "[ . 1 ]"
1 19 LEU 0.521 0.118 13 0 "[ . 1 ]"
1 20 ASP 0.033 0.033 13 0 "[ . 1 ]"
1 21 LEU 0.737 0.107 8 0 "[ . 1 ]"
1 22 VAL 0.262 0.121 13 0 "[ . 1 ]"
1 23 ARG 0.601 0.118 8 0 "[ . 1 ]"
1 24 LYS 0.037 0.020 8 0 "[ . 1 ]"
1 25 VAL 0.074 0.021 13 0 "[ . 1 ]"
1 26 ALA 0.056 0.034 12 0 "[ . 1 ]"
1 27 GLU 0.465 0.059 1 0 "[ . 1 ]"
1 28 GLU 0.037 0.020 8 0 "[ . 1 ]"
1 29 ASN 0.053 0.021 13 0 "[ . 1 ]"
1 30 GLY 0.052 0.023 5 0 "[ . 1 ]"
1 31 MET 0.000 0.000 . 0 "[ . 1 ]"
1 32 SER 0.029 0.013 9 0 "[ . 1 ]"
1 33 VAL 0.149 0.041 2 0 "[ . 1 ]"
1 34 ASN 2.966 0.222 8 0 "[ . 1 ]"
1 35 SER 0.124 0.036 13 0 "[ . 1 ]"
1 36 TYR 0.244 0.061 12 0 "[ . 1 ]"
1 37 ILE 0.149 0.041 2 0 "[ . 1 ]"
1 38 TYR 4.486 0.222 8 0 "[ . 1 ]"
1 39 GLN 0.124 0.036 13 0 "[ . 1 ]"
1 40 LEU 0.571 0.089 2 0 "[ . 1 ]"
1 41 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 42 MET 1.925 0.214 6 0 "[ . 1 ]"
1 43 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 44 SER 0.357 0.089 2 0 "[ . 1 ]"
2 8 PRO 0.498 0.091 1 0 "[ . 1 ]"
2 10 PHE 0.664 0.093 7 0 "[ . 1 ]"
2 12 LEU 0.489 0.065 7 0 "[ . 1 ]"
2 14 TRP 0.830 0.099 5 0 "[ . 1 ]"
2 15 PRO 0.648 0.068 8 0 "[ . 1 ]"
2 16 ARG 0.000 0.000 . 0 "[ . 1 ]"
2 17 GLU 0.637 0.091 9 0 "[ . 1 ]"
2 18 VAL 0.662 0.068 8 0 "[ . 1 ]"
2 19 LEU 0.095 0.049 9 0 "[ . 1 ]"
2 20 ASP 0.000 0.000 . 0 "[ . 1 ]"
2 21 LEU 0.637 0.091 9 0 "[ . 1 ]"
2 22 VAL 0.111 0.042 10 0 "[ . 1 ]"
2 23 ARG 0.429 0.090 5 0 "[ . 1 ]"
2 24 LYS 0.000 0.000 . 0 "[ . 1 ]"
2 25 VAL 0.075 0.037 3 0 "[ . 1 ]"
2 26 ALA 0.050 0.030 12 0 "[ . 1 ]"
2 27 GLU 0.469 0.090 5 0 "[ . 1 ]"
2 28 GLU 0.000 0.000 . 0 "[ . 1 ]"
2 29 ASN 0.075 0.037 3 0 "[ . 1 ]"
2 30 GLY 0.089 0.031 10 0 "[ . 1 ]"
2 31 MET 0.000 0.000 . 0 "[ . 1 ]"
2 32 SER 0.055 0.020 13 0 "[ . 1 ]"
2 33 VAL 0.088 0.030 7 0 "[ . 1 ]"
2 34 ASN 2.654 0.213 4 0 "[ . 1 ]"
2 35 SER 0.184 0.040 10 0 "[ . 1 ]"
2 36 TYR 0.289 0.051 6 0 "[ . 1 ]"
2 37 ILE 0.088 0.030 7 0 "[ . 1 ]"
2 38 TYR 4.194 0.213 4 0 "[ . 1 ]"
2 39 GLN 0.184 0.040 10 0 "[ . 1 ]"
2 40 LEU 0.472 0.051 6 0 "[ . 1 ]"
2 41 VAL 0.000 0.000 . 0 "[ . 1 ]"
2 42 MET 1.784 0.193 3 0 "[ . 1 ]"
2 43 GLU 0.000 0.000 . 0 "[ . 1 ]"
2 44 SER 0.238 0.040 13 0 "[ . 1 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 10 PHE O 2 12 LEU H 2.000 . 2.300 2.179 1.941 2.357 0.057 6 0 "[ . 1 ]" 2
2 1 12 LEU H 2 10 PHE O 2.000 . 2.300 2.169 1.948 2.350 0.050 1 0 "[ . 1 ]" 2
3 1 12 LEU O 2 10 PHE H 2.000 . 2.300 2.298 2.150 2.393 0.093 7 0 "[ . 1 ]" 2
4 1 10 PHE H 2 12 LEU O 2.000 . 2.300 2.263 2.070 2.365 0.065 7 0 "[ . 1 ]" 2
5 1 15 PRO O 1 18 VAL H 2.000 . 2.300 2.338 2.291 2.371 0.071 6 0 "[ . 1 ]" 2
6 1 15 PRO O 1 19 LEU H 2.000 . 2.300 2.188 2.024 2.407 0.107 13 0 "[ . 1 ]" 2
7 1 16 ARG O 1 20 ASP H 2.000 . 2.300 2.171 2.080 2.333 0.033 13 0 "[ . 1 ]" 2
8 1 17 GLU O 1 21 LEU H 2.000 . 2.300 2.351 2.308 2.407 0.107 8 0 "[ . 1 ]" 2
9 1 18 VAL O 1 22 VAL H 2.000 . 2.300 2.211 2.076 2.421 0.121 13 0 "[ . 1 ]" 2
10 1 19 LEU O 1 23 ARG H 2.000 . 2.300 1.932 1.682 2.321 0.118 8 0 "[ . 1 ]" 2
11 1 20 ASP O 1 24 LYS H 2.000 . 2.300 2.074 1.956 2.194 . 0 0 "[ . 1 ]" 2
12 1 21 LEU O 1 25 VAL H 2.000 . 2.300 1.880 1.779 1.957 0.021 12 0 "[ . 1 ]" 2
13 1 22 VAL O 1 26 ALA H 2.000 . 2.300 2.182 2.010 2.334 0.034 12 0 "[ . 1 ]" 2
14 1 23 ARG O 1 27 GLU H 2.000 . 2.300 2.322 2.200 2.359 0.059 1 0 "[ . 1 ]" 2
15 1 24 LYS O 1 28 GLU H 2.000 . 2.300 2.165 2.010 2.320 0.020 8 0 "[ . 1 ]" 2
16 1 25 VAL O 1 29 ASN H 2.000 . 2.300 2.231 2.116 2.321 0.021 13 0 "[ . 1 ]" 2
17 1 26 ALA O 1 31 MET H 2.000 . 2.300 1.943 1.887 2.025 . 0 0 "[ . 1 ]" 2
18 1 27 GLU O 1 30 GLY H 2.000 . 2.300 2.277 2.224 2.323 0.023 5 0 "[ . 1 ]" 2
19 2 15 PRO O 2 18 VAL H 2.000 . 2.300 2.343 2.305 2.368 0.068 8 0 "[ . 1 ]" 2
20 2 15 PRO O 2 19 LEU H 2.000 . 2.300 2.118 1.926 2.327 0.027 2 0 "[ . 1 ]" 2
21 2 16 ARG O 2 20 ASP H 2.000 . 2.300 2.110 2.012 2.263 . 0 0 "[ . 1 ]" 2
22 2 17 GLU O 2 21 LEU H 2.000 . 2.300 2.344 2.323 2.391 0.091 9 0 "[ . 1 ]" 2
23 2 18 VAL O 2 22 VAL H 2.000 . 2.300 2.197 2.016 2.342 0.042 10 0 "[ . 1 ]" 2
24 2 19 LEU O 2 23 ARG H 2.000 . 2.300 1.988 1.751 2.244 0.049 9 0 "[ . 1 ]" 2
25 2 20 ASP O 2 24 LYS H 2.000 . 2.300 2.067 1.933 2.185 . 0 0 "[ . 1 ]" 2
26 2 21 LEU O 2 25 VAL H 2.000 . 2.300 1.902 1.827 1.978 . 0 0 "[ . 1 ]" 2
27 2 22 VAL O 2 26 ALA H 2.000 . 2.300 2.189 2.002 2.330 0.030 12 0 "[ . 1 ]" 2
28 2 23 ARG O 2 27 GLU H 2.000 . 2.300 2.321 2.222 2.390 0.090 5 0 "[ . 1 ]" 2
29 2 24 LYS O 2 28 GLU H 2.000 . 2.300 2.176 2.054 2.291 . 0 0 "[ . 1 ]" 2
30 2 25 VAL O 2 29 ASN H 2.000 . 2.300 2.241 2.135 2.337 0.037 3 0 "[ . 1 ]" 2
31 2 26 ALA O 2 31 MET H 2.000 . 2.300 1.965 1.890 2.047 . 0 0 "[ . 1 ]" 2
32 2 27 GLU O 2 30 GLY H 2.000 . 2.300 2.276 2.197 2.331 0.031 10 0 "[ . 1 ]" 2
33 1 32 SER O 1 36 TYR H 2.000 . 2.300 2.249 2.122 2.313 0.013 9 0 "[ . 1 ]" 2
34 1 33 VAL O 1 37 ILE H 2.000 . 2.300 2.227 2.037 2.319 0.019 2 0 "[ . 1 ]" 2
35 1 34 ASN O 1 38 TYR H 2.000 . 2.300 2.483 2.437 2.522 0.222 8 0 "[ . 1 ]" 2
36 1 35 SER O 1 39 GLN H 2.000 . 2.300 2.306 2.276 2.336 0.036 13 0 "[ . 1 ]" 2
37 1 36 TYR O 1 40 LEU H 2.000 . 2.300 2.305 2.235 2.361 0.061 12 0 "[ . 1 ]" 2
38 1 37 ILE O 1 41 VAL H 2.000 . 2.300 2.065 1.977 2.169 . 0 0 "[ . 1 ]" 2
39 1 38 TYR O 1 42 MET H 2.000 . 2.300 2.437 2.368 2.514 0.214 6 0 "[ . 1 ]" 2
40 1 39 GLN O 1 43 GLU H 2.000 . 2.300 2.100 1.978 2.218 . 0 0 "[ . 1 ]" 2
41 1 40 LEU O 1 44 SER H 2.000 . 2.300 2.319 2.257 2.389 0.089 2 0 "[ . 1 ]" 2
42 2 32 SER O 2 36 TYR H 2.000 . 2.300 2.236 2.097 2.320 0.020 13 0 "[ . 1 ]" 2
43 2 33 VAL O 2 37 ILE H 2.000 . 2.300 2.253 2.123 2.309 0.009 12 0 "[ . 1 ]" 2
44 2 34 ASN O 2 38 TYR H 2.000 . 2.300 2.472 2.443 2.513 0.213 4 0 "[ . 1 ]" 2
45 2 35 SER O 2 39 GLN H 2.000 . 2.300 2.305 2.244 2.340 0.040 10 0 "[ . 1 ]" 2
46 2 36 TYR O 2 40 LEU H 2.000 . 2.300 2.307 2.221 2.351 0.051 6 0 "[ . 1 ]" 2
47 2 37 ILE O 2 41 VAL H 2.000 . 2.300 2.088 1.992 2.241 . 0 0 "[ . 1 ]" 2
48 2 38 TYR O 2 42 MET H 2.000 . 2.300 2.427 2.368 2.493 0.193 3 0 "[ . 1 ]" 2
49 2 39 GLN O 2 43 GLU H 2.000 . 2.300 2.031 1.974 2.132 . 0 0 "[ . 1 ]" 2
50 2 40 LEU O 2 44 SER H 2.000 . 2.300 2.306 2.241 2.340 0.040 13 0 "[ . 1 ]" 2
51 1 8 PRO O 2 14 TRP N 2.400 . 3.300 3.292 3.167 3.399 0.099 5 0 "[ . 1 ]" 2
52 1 14 TRP N 2 8 PRO O 2.400 . 3.300 3.313 3.172 3.391 0.091 1 0 "[ . 1 ]" 2
53 1 10 PHE O 2 12 LEU N 2.000 . 3.300 3.136 2.905 3.351 0.051 6 0 "[ . 1 ]" 2
54 1 12 LEU N 2 10 PHE O 2.000 . 3.300 3.128 2.930 3.340 0.040 1 0 "[ . 1 ]" 2
55 1 12 LEU O 2 10 PHE N 2.000 . 3.300 3.213 3.119 3.333 0.033 4 0 "[ . 1 ]" 2
56 1 10 PHE N 2 12 LEU O 2.000 . 3.300 3.186 3.044 3.306 0.006 7 0 "[ . 1 ]" 2
57 1 15 PRO O 1 18 VAL N 2.000 . 3.300 3.021 2.944 3.101 . 0 0 "[ . 1 ]" 2
58 1 15 PRO O 1 19 LEU N 2.000 . 3.300 3.191 3.044 3.418 0.118 13 0 "[ . 1 ]" 2
59 1 16 ARG O 1 20 ASP N 2.000 . 3.300 2.996 2.884 3.116 . 0 0 "[ . 1 ]" 2
60 1 17 GLU O 1 21 LEU N 2.000 . 3.300 3.192 3.089 3.287 . 0 0 "[ . 1 ]" 2
61 1 18 VAL O 1 22 VAL N 2.000 . 3.300 3.078 2.919 3.336 0.036 13 0 "[ . 1 ]" 2
62 1 19 LEU O 1 23 ARG N 2.000 . 3.300 2.799 2.639 3.102 . 0 0 "[ . 1 ]" 2
63 1 20 ASP O 1 24 LYS N 2.000 . 3.300 2.832 2.749 2.926 . 0 0 "[ . 1 ]" 2
64 1 21 LEU O 1 25 VAL N 2.000 . 3.300 2.900 2.779 2.984 . 0 0 "[ . 1 ]" 2
65 1 22 VAL O 1 26 ALA N 2.000 . 3.300 3.102 2.923 3.262 . 0 0 "[ . 1 ]" 2
66 1 23 ARG O 1 27 GLU N 2.000 . 3.300 3.206 3.102 3.261 . 0 0 "[ . 1 ]" 2
67 1 24 LYS O 1 28 GLU N 2.000 . 3.300 3.153 3.002 3.287 . 0 0 "[ . 1 ]" 2
68 1 25 VAL O 1 29 ASN N 2.000 . 3.300 3.196 3.109 3.281 . 0 0 "[ . 1 ]" 2
69 1 26 ALA O 1 31 MET N 2.000 . 3.300 2.953 2.902 3.004 . 0 0 "[ . 1 ]" 2
70 1 27 GLU O 1 30 GLY N 2.000 . 3.300 3.045 3.018 3.072 . 0 0 "[ . 1 ]" 2
71 2 15 PRO O 2 18 VAL N 2.000 . 3.300 3.008 2.916 3.052 . 0 0 "[ . 1 ]" 2
72 2 15 PRO O 2 19 LEU N 2.000 . 3.300 3.122 2.949 3.320 0.020 2 0 "[ . 1 ]" 2
73 2 16 ARG O 2 20 ASP N 2.000 . 3.300 2.943 2.854 3.141 . 0 0 "[ . 1 ]" 2
74 2 17 GLU O 2 21 LEU N 2.000 . 3.300 3.179 3.072 3.317 0.017 9 0 "[ . 1 ]" 2
75 2 18 VAL O 2 22 VAL N 2.000 . 3.300 3.061 2.902 3.225 . 0 0 "[ . 1 ]" 2
76 2 19 LEU O 2 23 ARG N 2.000 . 3.300 2.822 2.615 3.020 . 0 0 "[ . 1 ]" 2
77 2 20 ASP O 2 24 LYS N 2.000 . 3.300 2.852 2.728 2.978 . 0 0 "[ . 1 ]" 2
78 2 21 LEU O 2 25 VAL N 2.000 . 3.300 2.925 2.849 3.003 . 0 0 "[ . 1 ]" 2
79 2 22 VAL O 2 26 ALA N 2.000 . 3.300 3.112 2.908 3.242 . 0 0 "[ . 1 ]" 2
80 2 23 ARG O 2 27 GLU N 2.000 . 3.300 3.204 3.098 3.292 . 0 0 "[ . 1 ]" 2
81 2 24 LYS O 2 28 GLU N 2.000 . 3.300 3.162 3.064 3.266 . 0 0 "[ . 1 ]" 2
82 2 25 VAL O 2 29 ASN N 2.000 . 3.300 3.207 3.135 3.281 . 0 0 "[ . 1 ]" 2
83 2 26 ALA O 2 31 MET N 2.000 . 3.300 2.959 2.858 3.056 . 0 0 "[ . 1 ]" 2
84 2 27 GLU O 2 30 GLY N 2.000 . 3.300 3.042 2.994 3.069 . 0 0 "[ . 1 ]" 2
85 1 32 SER O 1 36 TYR N 2.000 . 3.300 2.994 2.900 3.118 . 0 0 "[ . 1 ]" 2
86 1 33 VAL O 1 37 ILE N 2.000 . 3.300 3.246 3.058 3.341 0.041 2 0 "[ . 1 ]" 2
87 1 34 ASN O 1 38 TYR N 2.000 . 3.300 3.183 3.111 3.242 . 0 0 "[ . 1 ]" 2
88 1 35 SER O 1 39 GLN N 2.000 . 3.300 2.958 2.918 3.021 . 0 0 "[ . 1 ]" 2
89 1 36 TYR O 1 40 LEU N 2.000 . 3.300 2.987 2.893 3.054 . 0 0 "[ . 1 ]" 2
90 1 37 ILE O 1 41 VAL N 2.000 . 3.300 2.985 2.788 3.077 . 0 0 "[ . 1 ]" 2
91 1 38 TYR O 1 42 MET N 2.000 . 3.300 3.149 3.006 3.220 . 0 0 "[ . 1 ]" 2
92 1 39 GLN O 1 43 GLU N 2.000 . 3.300 2.830 2.772 2.924 . 0 0 "[ . 1 ]" 2
93 1 40 LEU O 1 44 SER N 2.000 . 3.300 3.043 2.973 3.177 . 0 0 "[ . 1 ]" 2
94 2 32 SER O 2 36 TYR N 2.000 . 3.300 2.995 2.869 3.154 . 0 0 "[ . 1 ]" 2
95 2 33 VAL O 2 37 ILE N 2.000 . 3.300 3.271 3.140 3.330 0.030 7 0 "[ . 1 ]" 2
96 2 34 ASN O 2 38 TYR N 2.000 . 3.300 3.160 3.085 3.227 . 0 0 "[ . 1 ]" 2
97 2 35 SER O 2 39 GLN N 2.000 . 3.300 2.959 2.887 3.033 . 0 0 "[ . 1 ]" 2
98 2 36 TYR O 2 40 LEU N 2.000 . 3.300 2.994 2.919 3.063 . 0 0 "[ . 1 ]" 2
99 2 37 ILE O 2 41 VAL N 2.000 . 3.300 2.996 2.885 3.102 . 0 0 "[ . 1 ]" 2
100 2 38 TYR O 2 42 MET N 2.000 . 3.300 3.209 3.120 3.272 . 0 0 "[ . 1 ]" 2
101 2 39 GLN O 2 43 GLU N 2.000 . 3.300 2.807 2.757 2.862 . 0 0 "[ . 1 ]" 2
102 2 40 LEU O 2 44 SER N 2.000 . 3.300 3.048 2.996 3.146 . 0 0 "[ . 1 ]" 2
103 1 34 ASN O 2 14 TRP NE1 2.400 . 3.300 3.324 3.240 3.367 0.067 11 0 "[ . 1 ]" 2
104 1 14 TRP NE1 2 34 ASN O 2.400 . 3.300 3.286 3.138 3.359 0.059 12 0 "[ . 1 ]" 2
stop_
save_
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