NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
581210 |
2mnu   |
19906 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mnu
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 1277
_Distance_constraint_stats_list.Viol_count 2671
_Distance_constraint_stats_list.Viol_total 7124.576
_Distance_constraint_stats_list.Viol_max 0.486
_Distance_constraint_stats_list.Viol_rms 0.0519
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0139
_Distance_constraint_stats_list.Viol_average_violations_only 0.1334
_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 SER 0.635 0.188 8 0 "[ . 1 . 2]"
1 3 GLU 0.635 0.188 8 0 "[ . 1 . 2]"
1 4 VAL 0.170 0.047 9 0 "[ . 1 . 2]"
1 7 LEU 0.747 0.219 6 0 "[ . 1 . 2]"
1 9 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 LEU 2.166 0.345 1 0 "[ . 1 . 2]"
1 11 SER 5.952 0.406 16 0 "[ . 1 . 2]"
1 12 PHE 6.941 0.406 16 0 "[ . 1 . 2]"
1 13 VAL 1.868 0.109 16 0 "[ . 1 . 2]"
1 14 ASP 1.934 0.109 16 0 "[ . 1 . 2]"
1 15 ILE 14.732 0.443 19 0 "[ . 1 . 2]"
1 16 THR 3.499 0.362 10 0 "[ . 1 . 2]"
1 17 ASP 6.957 0.451 18 0 "[ . 1 . 2]"
1 18 SER 1.201 0.382 2 0 "[ . 1 . 2]"
1 19 SER 5.228 0.293 7 0 "[ . 1 . 2]"
1 20 ILE 12.216 0.443 19 0 "[ . 1 . 2]"
1 21 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 LEU 2.007 0.200 8 0 "[ . 1 . 2]"
1 23 ARG 5.262 0.257 6 0 "[ . 1 . 2]"
1 24 TRP 1.789 0.345 1 0 "[ . 1 . 2]"
1 25 THR 8.842 0.445 13 0 "[ . 1 . 2]"
1 26 PRO 12.467 0.445 13 0 "[ . 1 . 2]"
1 27 LEU 22.210 0.467 13 0 "[ . 1 . 2]"
1 28 ASN 14.072 0.467 13 0 "[ . 1 . 2]"
1 29 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 SER 13.247 0.412 8 0 "[ . 1 . 2]"
1 31 THR 2.098 0.246 7 0 "[ . 1 . 2]"
1 32 ILE 0.558 0.327 9 0 "[ . 1 . 2]"
1 33 ILE 5.811 0.338 12 0 "[ . 1 . 2]"
1 34 GLY 0.346 0.236 11 0 "[ . 1 . 2]"
1 35 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ARG 4.479 0.310 2 0 "[ . 1 . 2]"
1 37 ILE 27.887 0.486 14 0 "[ . 1 . 2]"
1 38 THR 5.707 0.227 11 0 "[ . 1 . 2]"
1 39 VAL 5.319 0.195 9 0 "[ . 1 . 2]"
1 40 VAL 26.383 0.399 19 0 "[ . 1 . 2]"
1 41 ALA 10.860 0.346 18 0 "[ . 1 . 2]"
1 42 ALA 9.271 0.332 1 0 "[ . 1 . 2]"
1 43 GLY 0.015 0.013 6 0 "[ . 1 . 2]"
1 44 GLU 4.477 0.189 4 0 "[ . 1 . 2]"
1 45 GLY 2.202 0.189 4 0 "[ . 1 . 2]"
1 46 ILE 6.791 0.302 8 0 "[ . 1 . 2]"
1 47 PRO 9.624 0.302 8 0 "[ . 1 . 2]"
1 48 ILE 6.417 0.307 1 0 "[ . 1 . 2]"
1 49 PHE 2.290 0.238 7 0 "[ . 1 . 2]"
1 50 GLU 18.800 0.428 11 0 "[ . 1 . 2]"
1 51 ASP 13.577 0.336 8 0 "[ . 1 . 2]"
1 52 PHE 0.779 0.132 2 0 "[ . 1 . 2]"
1 53 VAL 6.500 0.271 20 0 "[ . 1 . 2]"
1 54 ASP 0.959 0.236 11 0 "[ . 1 . 2]"
1 55 SER 3.826 0.338 12 0 "[ . 1 . 2]"
1 56 SER 0.071 0.071 8 0 "[ . 1 . 2]"
1 57 VAL 3.529 0.257 6 0 "[ . 1 . 2]"
1 58 GLY 2.904 0.187 19 0 "[ . 1 . 2]"
1 59 TYR 4.191 0.271 20 0 "[ . 1 . 2]"
1 60 TYR 15.345 0.486 14 0 "[ . 1 . 2]"
1 61 THR 6.531 0.293 7 0 "[ . 1 . 2]"
1 62 VAL 7.117 0.291 11 0 "[ . 1 . 2]"
1 63 THR 6.824 0.196 10 0 "[ . 1 . 2]"
1 64 GLY 5.767 0.196 10 0 "[ . 1 . 2]"
1 65 LEU 12.256 0.301 19 0 "[ . 1 . 2]"
1 66 GLU 15.438 0.313 7 0 "[ . 1 . 2]"
1 67 PRO 21.912 0.451 18 0 "[ . 1 . 2]"
1 68 GLY 13.071 0.319 4 0 "[ . 1 . 2]"
1 69 ILE 14.275 0.330 7 0 "[ . 1 . 2]"
1 70 ASP 11.115 0.330 7 0 "[ . 1 . 2]"
1 71 TYR 23.732 0.346 18 0 "[ . 1 . 2]"
1 72 ASP 14.747 0.399 19 0 "[ . 1 . 2]"
1 73 ILE 15.207 0.373 11 0 "[ . 1 . 2]"
1 74 SER 2.544 0.282 2 0 "[ . 1 . 2]"
1 75 VAL 6.143 0.369 10 0 "[ . 1 . 2]"
1 76 ILE 3.473 0.255 11 0 "[ . 1 . 2]"
1 77 THR 2.578 0.348 1 0 "[ . 1 . 2]"
1 78 LEU 0.882 0.348 1 0 "[ . 1 . 2]"
1 79 ILE 13.241 0.412 8 0 "[ . 1 . 2]"
1 80 ASN 5.551 0.233 15 0 "[ . 1 . 2]"
1 81 GLY 0.283 0.138 19 0 "[ . 1 . 2]"
1 82 GLY 0.021 0.021 13 0 "[ . 1 . 2]"
1 83 GLU 0.158 0.118 14 0 "[ . 1 . 2]"
1 84 SER 0.137 0.118 14 0 "[ . 1 . 2]"
1 85 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 PRO 2.286 0.289 7 0 "[ . 1 . 2]"
1 87 THR 2.296 0.289 7 0 "[ . 1 . 2]"
1 88 THR 1.332 0.289 1 0 "[ . 1 . 2]"
1 89 LEU 1.240 0.289 1 0 "[ . 1 . 2]"
1 90 THR 0.195 0.069 2 0 "[ . 1 . 2]"
1 91 GLN 0.001 0.001 6 0 "[ . 1 . 2]"
1 92 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 PRO 4.642 0.306 7 0 "[ . 1 . 2]"
2 5 ILE 12.361 0.403 5 0 "[ . 1 . 2]"
2 6 GLN 5.558 0.403 5 0 "[ . 1 . 2]"
2 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 SER 0.593 0.106 9 0 "[ . 1 . 2]"
2 9 TRP 3.421 0.228 12 0 "[ . 1 . 2]"
2 10 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 GLU 9.574 0.454 13 0 "[ . 1 . 2]"
2 13 ASN 11.531 0.454 13 0 "[ . 1 . 2]"
2 14 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 15 LYS 6.543 0.363 18 0 "[ . 1 . 2]"
2 16 TRP 2.202 0.170 4 0 "[ . 1 . 2]"
2 17 THR 1.896 0.282 2 0 "[ . 1 . 2]"
2 18 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
2 19 LYS 6.533 0.297 14 0 "[ . 1 . 2]"
2 20 GLY 5.343 0.297 14 0 "[ . 1 . 2]"
2 21 ILE 5.786 0.429 19 0 "[ . 1 . 2]"
2 22 ILE 24.455 0.429 19 0 "[ . 1 . 2]"
2 23 ARG 7.352 0.339 5 0 "[ . 1 . 2]"
2 24 LEU 0.390 0.102 13 0 "[ . 1 . 2]"
2 25 GLU 2.364 0.307 9 0 "[ . 1 . 2]"
2 26 GLN 4.699 0.377 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 SER HA 1 2 SER QB 2.610 . 3.110 2.277 2.181 2.435 . 0 0 "[ . 1 . 2]" 1
2 1 2 SER HA 1 3 GLU QB 4.620 . 5.120 4.623 4.094 5.271 0.151 3 0 "[ . 1 . 2]" 1
3 1 2 SER HA 1 3 GLU QG 5.340 . 5.840 4.356 3.470 6.028 0.188 8 0 "[ . 1 . 2]" 1
4 1 2 SER QB 1 3 GLU QB 5.180 . 5.680 4.828 3.253 5.613 . 0 0 "[ . 1 . 2]" 1
5 1 3 GLU HA 1 4 VAL HA 4.430 . 4.930 4.421 4.291 4.532 . 0 0 "[ . 1 . 2]" 1
6 1 3 GLU HA 1 4 VAL H 2.750 . 3.250 2.255 2.125 2.581 . 0 0 "[ . 1 . 2]" 1
7 1 3 GLU QB 1 4 VAL H 4.400 . 4.900 3.291 2.130 3.998 . 0 0 "[ . 1 . 2]" 1
8 1 4 VAL HA 1 4 VAL QG 2.790 . 3.290 2.182 2.071 2.251 . 0 0 "[ . 1 . 2]" 1
9 1 4 VAL H 1 4 VAL HB 3.860 . 4.360 3.254 2.512 3.830 . 0 0 "[ . 1 . 2]" 1
10 1 4 VAL H 1 4 VAL QG 2.700 . 3.200 2.105 1.753 2.801 0.047 9 0 "[ . 1 . 2]" 1
11 1 7 LEU HA 1 27 LEU HB3 4.810 . 5.310 5.189 4.222 5.529 0.219 6 0 "[ . 1 . 2]" 1
12 1 9 ASP HA 1 10 LEU H 3.460 . 3.960 2.302 2.155 2.458 . 0 0 "[ . 1 . 2]" 1
13 1 9 ASP QB 1 10 LEU H 3.880 . 4.380 2.749 2.254 3.960 . 0 0 "[ . 1 . 2]" 1
14 1 9 ASP HB3 1 10 LEU H 4.470 . 4.970 3.282 2.278 4.358 . 0 0 "[ . 1 . 2]" 1
15 1 9 ASP HB2 1 10 LEU H 4.470 . 4.970 3.478 2.380 4.546 . 0 0 "[ . 1 . 2]" 1
16 1 10 LEU HA 1 10 LEU QD 3.440 . 3.940 2.657 1.931 3.057 . 0 0 "[ . 1 . 2]" 1
17 1 10 LEU HA 1 10 LEU MD1 4.150 . 4.650 3.160 2.105 4.149 . 0 0 "[ . 1 . 2]" 1
18 1 10 LEU HA 1 10 LEU MD2 4.150 . 4.650 3.238 2.051 3.828 . 0 0 "[ . 1 . 2]" 1
19 1 10 LEU HA 1 10 LEU HG 3.960 . 4.460 2.657 2.264 3.617 . 0 0 "[ . 1 . 2]" 1
20 1 10 LEU HA 1 11 SER QB 5.340 . 5.840 4.216 4.075 4.351 . 0 0 "[ . 1 . 2]" 1
21 1 10 LEU HA 1 11 SER H 3.020 . 3.520 2.249 2.174 2.344 . 0 0 "[ . 1 . 2]" 1
22 1 10 LEU HA 1 24 TRP HB2 3.190 . 3.690 3.489 2.421 4.035 0.345 1 0 "[ . 1 . 2]" 1
23 1 10 LEU QD 1 11 SER H 3.890 . 4.390 2.670 1.773 4.177 0.027 14 0 "[ . 1 . 2]" 1
24 1 10 LEU QD 1 23 ARG H 4.550 . 5.050 3.791 3.134 5.233 0.183 10 0 "[ . 1 . 2]" 1
25 1 10 LEU QD 1 75 VAL HB 5.440 . 5.940 3.958 3.344 4.782 . 0 0 "[ . 1 . 2]" 1
26 1 10 LEU QD 1 75 VAL QG 3.350 . 3.850 2.568 2.171 3.401 . 0 0 "[ . 1 . 2]" 1
27 1 10 LEU MD1 1 24 TRP HB3 3.240 . 3.740 2.489 2.026 3.724 . 0 0 "[ . 1 . 2]" 1
28 1 10 LEU MD1 1 24 TRP HB2 3.120 . 3.620 3.166 2.522 3.963 0.343 9 0 "[ . 1 . 2]" 1
29 1 10 LEU H 1 10 LEU QB 2.550 . 3.050 2.287 2.058 2.947 . 0 0 "[ . 1 . 2]" 1
30 1 10 LEU H 1 10 LEU HB3 2.970 . 3.470 2.754 2.434 3.569 0.099 9 0 "[ . 1 . 2]" 1
31 1 10 LEU H 1 10 LEU HB2 2.970 . 3.470 2.504 2.086 3.414 . 0 0 "[ . 1 . 2]" 1
32 1 10 LEU H 1 10 LEU QD 4.050 . 4.550 3.515 1.824 3.771 . 0 0 "[ . 1 . 2]" 1
33 1 10 LEU H 1 10 LEU MD1 4.820 . 5.320 4.074 3.425 4.337 . 0 0 "[ . 1 . 2]" 1
34 1 10 LEU H 1 10 LEU MD2 4.820 . 5.320 3.924 1.831 4.342 . 0 0 "[ . 1 . 2]" 1
35 1 10 LEU H 1 10 LEU HG 4.780 . 5.280 4.013 1.726 4.510 0.074 10 0 "[ . 1 . 2]" 1
36 1 10 LEU H 1 11 SER H 4.900 . 5.400 4.626 4.578 4.650 . 0 0 "[ . 1 . 2]" 1
37 1 11 SER HA 1 23 ARG QB 5.500 . 6.000 5.804 5.158 6.083 0.083 7 0 "[ . 1 . 2]" 1
38 1 11 SER QB 1 12 PHE HA 5.340 . 5.840 4.563 4.438 4.687 . 0 0 "[ . 1 . 2]" 1
39 1 11 SER QB 1 12 PHE QB 5.110 . 5.610 4.749 4.578 4.919 . 0 0 "[ . 1 . 2]" 1
40 1 11 SER QB 1 12 PHE H 3.230 . 3.730 2.657 2.469 2.801 . 0 0 "[ . 1 . 2]" 1
41 1 11 SER QB 1 23 ARG QB 4.880 . 5.380 4.790 4.351 5.040 . 0 0 "[ . 1 . 2]" 1
42 1 11 SER HB2 1 12 PHE QD 3.500 . 4.000 4.257 4.163 4.406 0.406 16 0 "[ . 1 . 2]" 1
43 1 11 SER H 1 11 SER QB 3.610 . 4.110 3.056 2.958 3.162 . 0 0 "[ . 1 . 2]" 1
44 1 11 SER H 1 23 ARG H 3.920 . 4.420 4.338 3.852 4.549 0.129 15 0 "[ . 1 . 2]" 1
45 1 12 PHE HA 1 12 PHE QD 3.790 . 4.290 3.111 3.019 3.152 . 0 0 "[ . 1 . 2]" 1
46 1 12 PHE HA 1 13 VAL HA 5.500 . 6.000 4.476 4.466 4.493 . 0 0 "[ . 1 . 2]" 1
47 1 12 PHE HA 1 13 VAL QG 3.700 . 4.200 3.081 3.016 3.121 . 0 0 "[ . 1 . 2]" 1
48 1 12 PHE HA 1 13 VAL H 2.550 . 3.050 2.240 2.212 2.299 . 0 0 "[ . 1 . 2]" 1
49 1 12 PHE HA 1 20 ILE MD 5.380 . 5.880 5.837 5.527 5.946 0.066 9 0 "[ . 1 . 2]" 1
50 1 12 PHE HA 1 23 ARG QB 4.250 . 4.750 3.889 3.529 4.205 . 0 0 "[ . 1 . 2]" 1
51 1 12 PHE HA 1 23 ARG H 3.950 . 4.450 3.130 2.831 3.383 . 0 0 "[ . 1 . 2]" 1
52 1 12 PHE QB 1 13 VAL H 3.290 . 3.790 2.841 2.727 2.896 . 0 0 "[ . 1 . 2]" 1
53 1 12 PHE QB 1 20 ILE MG 4.880 . 5.380 4.870 4.603 5.224 . 0 0 "[ . 1 . 2]" 1
54 1 12 PHE QD 1 13 VAL H 3.910 . 4.410 4.268 4.118 4.413 0.003 7 0 "[ . 1 . 2]" 1
55 1 12 PHE QD 1 20 ILE MD 3.520 . 4.020 3.467 3.155 3.644 . 0 0 "[ . 1 . 2]" 1
56 1 12 PHE QD 1 20 ILE QG 4.930 . 5.430 5.005 4.485 5.270 . 0 0 "[ . 1 . 2]" 1
57 1 12 PHE QD 1 20 ILE MG 4.360 . 4.860 4.700 4.340 4.976 0.116 2 0 "[ . 1 . 2]" 1
58 1 12 PHE H 1 12 PHE QB 3.190 . 3.690 2.539 2.445 2.717 . 0 0 "[ . 1 . 2]" 1
59 1 12 PHE H 1 12 PHE QD 3.450 . 3.950 1.991 1.877 2.216 . 0 0 "[ . 1 . 2]" 1
60 1 12 PHE H 1 13 VAL QG 5.440 . 5.940 3.826 3.778 3.881 . 0 0 "[ . 1 . 2]" 1
61 1 13 VAL HA 1 13 VAL QG 2.580 . 3.080 2.209 2.193 2.243 . 0 0 "[ . 1 . 2]" 1
62 1 13 VAL HA 1 14 ASP HA 3.890 . 4.390 4.472 4.452 4.499 0.109 16 0 "[ . 1 . 2]" 1
63 1 13 VAL HA 1 14 ASP QB 4.970 . 5.470 4.446 4.281 4.569 . 0 0 "[ . 1 . 2]" 1
64 1 13 VAL HA 1 14 ASP H 2.680 . 3.180 2.329 2.260 2.397 . 0 0 "[ . 1 . 2]" 1
65 1 13 VAL HA 1 15 ILE H 3.780 . 4.280 3.430 3.204 4.036 . 0 0 "[ . 1 . 2]" 1
66 1 13 VAL HB 1 14 ASP HA 4.130 . 4.630 4.460 4.374 4.556 . 0 0 "[ . 1 . 2]" 1
67 1 13 VAL HB 1 14 ASP QB 4.790 . 5.290 3.694 3.379 3.944 . 0 0 "[ . 1 . 2]" 1
68 1 13 VAL HB 1 14 ASP HB2 3.590 . 4.090 3.818 3.504 4.070 . 0 0 "[ . 1 . 2]" 1
69 1 13 VAL HB 1 14 ASP H 2.590 . 3.090 2.558 2.436 2.760 . 0 0 "[ . 1 . 2]" 1
70 1 13 VAL HB 1 15 ILE H 5.030 . 5.530 4.936 4.725 5.411 . 0 0 "[ . 1 . 2]" 1
71 1 13 VAL QG 1 14 ASP QB 3.370 . 3.870 2.965 2.818 3.125 . 0 0 "[ . 1 . 2]" 1
72 1 13 VAL QG 1 22 LEU HA 4.940 . 5.440 4.068 3.697 4.366 . 0 0 "[ . 1 . 2]" 1
73 1 13 VAL MG2 1 14 ASP HB2 4.330 . 4.830 3.153 2.868 3.511 . 0 0 "[ . 1 . 2]" 1
74 1 13 VAL H 1 13 VAL QG 2.600 . 3.100 2.171 2.098 2.243 . 0 0 "[ . 1 . 2]" 1
75 1 13 VAL H 1 14 ASP H 4.690 . 5.190 4.385 4.347 4.419 . 0 0 "[ . 1 . 2]" 1
76 1 13 VAL H 1 20 ILE HA 5.500 . 6.000 5.662 5.288 5.982 . 0 0 "[ . 1 . 2]" 1
77 1 13 VAL H 1 20 ILE HB 5.130 . 5.630 5.109 4.841 5.272 . 0 0 "[ . 1 . 2]" 1
78 1 13 VAL H 1 20 ILE MD 5.500 . 6.000 5.960 5.705 6.060 0.060 9 0 "[ . 1 . 2]" 1
79 1 13 VAL H 1 21 GLY H 3.780 . 4.280 3.699 3.312 4.063 . 0 0 "[ . 1 . 2]" 1
80 1 13 VAL H 1 22 LEU H 5.060 . 5.560 5.055 4.826 5.257 . 0 0 "[ . 1 . 2]" 1
81 1 13 VAL H 1 23 ARG QB 5.410 . 5.910 4.008 3.573 4.262 . 0 0 "[ . 1 . 2]" 1
82 1 14 ASP HA 1 15 ILE H 3.150 . 3.650 2.870 2.550 2.981 . 0 0 "[ . 1 . 2]" 1
83 1 14 ASP QB 1 15 ILE H 4.210 . 4.710 3.821 3.748 3.993 . 0 0 "[ . 1 . 2]" 1
84 1 14 ASP QB 1 20 ILE HA 4.470 . 4.970 4.308 3.818 4.508 . 0 0 "[ . 1 . 2]" 1
85 1 14 ASP QB 1 20 ILE HB 5.340 . 5.840 5.740 5.254 5.916 0.076 18 0 "[ . 1 . 2]" 1
86 1 14 ASP QB 1 21 GLY H 3.870 . 4.370 3.083 2.735 3.322 . 0 0 "[ . 1 . 2]" 1
87 1 14 ASP H 1 14 ASP HA 2.590 . 3.090 2.295 2.285 2.307 . 0 0 "[ . 1 . 2]" 1
88 1 14 ASP H 1 14 ASP QB 3.540 . 4.040 3.120 2.884 3.308 . 0 0 "[ . 1 . 2]" 1
89 1 14 ASP H 1 15 ILE HB 5.180 . 5.680 4.975 4.761 5.245 . 0 0 "[ . 1 . 2]" 1
90 1 14 ASP H 1 15 ILE H 3.060 . 3.560 2.754 2.624 3.097 . 0 0 "[ . 1 . 2]" 1
91 1 15 ILE HA 1 15 ILE MD 3.270 . 3.770 3.731 2.737 3.818 0.048 15 0 "[ . 1 . 2]" 1
92 1 15 ILE HA 1 15 ILE QG 3.010 . 3.510 2.327 2.225 2.368 . 0 0 "[ . 1 . 2]" 1
93 1 15 ILE HA 1 16 THR H 2.520 . 3.020 2.175 2.117 2.201 . 0 0 "[ . 1 . 2]" 1
94 1 15 ILE HA 1 19 SER H 5.500 . 6.000 5.830 5.675 5.965 . 0 0 "[ . 1 . 2]" 1
95 1 15 ILE HA 1 20 ILE HA 2.650 . 3.150 2.432 2.332 2.624 . 0 0 "[ . 1 . 2]" 1
96 1 15 ILE HA 1 20 ILE HB 3.410 . 3.910 3.499 3.257 3.718 . 0 0 "[ . 1 . 2]" 1
97 1 15 ILE HA 1 20 ILE MD 5.000 . 5.500 5.116 4.810 5.299 . 0 0 "[ . 1 . 2]" 1
98 1 15 ILE HA 1 20 ILE MG 2.720 . 3.220 2.794 2.458 3.081 . 0 0 "[ . 1 . 2]" 1
99 1 15 ILE HA 1 21 GLY H 3.870 . 4.370 3.068 2.889 3.366 . 0 0 "[ . 1 . 2]" 1
100 1 15 ILE HB 1 15 ILE MD 2.400 . 2.900 2.338 2.183 2.405 . 0 0 "[ . 1 . 2]" 1
101 1 15 ILE HB 1 20 ILE HA 4.630 . 5.130 5.434 5.347 5.573 0.443 19 0 "[ . 1 . 2]" 1
102 1 15 ILE MD 1 20 ILE MD 3.040 . 5.540 5.418 5.159 5.606 0.066 9 0 "[ . 1 . 2]" 1
103 1 15 ILE QG 1 16 THR H 3.310 . 3.810 3.931 3.819 3.998 0.188 2 0 "[ . 1 . 2]" 1
104 1 15 ILE QG 1 20 ILE HA 4.320 . 4.820 3.925 3.756 4.091 . 0 0 "[ . 1 . 2]" 1
105 1 15 ILE QG 1 20 ILE MG 2.640 . 4.140 3.351 3.135 3.642 . 0 0 "[ . 1 . 2]" 1
106 1 15 ILE QG 1 15 ILE MG 2.620 . 3.120 2.268 2.060 2.312 . 0 0 "[ . 1 . 2]" 1
107 1 15 ILE MG 1 16 THR HA 4.430 . 4.930 3.420 3.358 3.534 . 0 0 "[ . 1 . 2]" 1
108 1 15 ILE H 1 15 ILE HB 2.730 . 3.230 2.426 2.298 2.509 . 0 0 "[ . 1 . 2]" 1
109 1 15 ILE H 1 15 ILE MG 3.330 . 3.830 3.743 3.715 3.761 . 0 0 "[ . 1 . 2]" 1
110 1 15 ILE H 1 16 THR H 5.010 . 5.510 4.580 4.529 4.617 . 0 0 "[ . 1 . 2]" 1
111 1 15 ILE H 1 20 ILE HA 4.570 . 5.070 4.768 4.657 5.004 . 0 0 "[ . 1 . 2]" 1
112 1 16 THR HA 1 16 THR MG 2.740 . 3.240 2.209 2.168 2.599 . 0 0 "[ . 1 . 2]" 1
113 1 16 THR HA 1 17 ASP QB 5.040 . 5.840 4.597 4.502 4.889 . 0 0 "[ . 1 . 2]" 1
114 1 16 THR HA 1 17 ASP H 2.840 . 3.340 2.730 2.684 2.755 . 0 0 "[ . 1 . 2]" 1
115 1 16 THR HA 1 18 SER H 4.430 . 4.930 4.847 4.728 5.008 0.078 2 0 "[ . 1 . 2]" 1
116 1 16 THR HA 1 19 SER H 5.500 . 6.000 4.615 4.569 4.657 . 0 0 "[ . 1 . 2]" 1
117 1 16 THR HB 1 17 ASP H 3.390 . 3.890 2.355 2.148 2.447 . 0 0 "[ . 1 . 2]" 1
118 1 16 THR HB 1 18 SER H 2.910 . 3.410 2.862 2.729 3.474 0.064 10 0 "[ . 1 . 2]" 1
119 1 16 THR HB 1 19 SER H 5.060 . 5.560 2.135 1.999 3.689 . 0 0 "[ . 1 . 2]" 1
120 1 16 THR MG 1 17 ASP HA 4.580 . 5.080 4.422 4.301 5.442 0.362 10 0 "[ . 1 . 2]" 1
121 1 16 THR MG 1 17 ASP H 2.970 . 3.470 1.901 1.774 3.657 0.187 10 0 "[ . 1 . 2]" 1
122 1 16 THR MG 1 18 SER H 3.580 . 4.080 3.379 3.185 4.307 0.227 10 0 "[ . 1 . 2]" 1
123 1 16 THR MG 1 19 SER H 4.660 . 5.160 3.635 3.455 3.730 . 0 0 "[ . 1 . 2]" 1
124 1 16 THR H 1 17 ASP H 4.810 . 5.310 4.322 4.281 4.352 . 0 0 "[ . 1 . 2]" 1
125 1 16 THR H 1 18 SER H 4.950 . 5.450 5.323 5.249 5.416 . 0 0 "[ . 1 . 2]" 1
126 1 16 THR H 1 19 SER H 3.590 . 4.090 3.885 3.719 4.046 . 0 0 "[ . 1 . 2]" 1
127 1 16 THR H 1 20 ILE HA 3.440 . 3.940 2.776 2.640 2.954 . 0 0 "[ . 1 . 2]" 1
128 1 17 ASP HA 1 17 ASP QB 2.490 . 2.990 2.184 2.177 2.193 . 0 0 "[ . 1 . 2]" 1
129 1 17 ASP HA 1 19 SER H 5.010 . 5.510 4.298 4.196 4.401 . 0 0 "[ . 1 . 2]" 1
130 1 17 ASP QB 1 18 SER HA 5.300 . 5.800 4.386 4.143 4.473 . 0 0 "[ . 1 . 2]" 1
131 1 17 ASP QB 1 18 SER H 3.800 . 4.300 3.248 2.913 3.341 . 0 0 "[ . 1 . 2]" 1
132 1 17 ASP QB 1 67 PRO HA 4.900 . 5.400 4.031 3.818 4.216 . 0 0 "[ . 1 . 2]" 1
133 1 17 ASP QB 1 67 PRO HB2 3.980 . 4.480 3.967 3.564 4.209 . 0 0 "[ . 1 . 2]" 1
134 1 17 ASP QB 1 67 PRO QD 5.310 . 5.810 4.604 4.294 4.732 . 0 0 "[ . 1 . 2]" 1
135 1 17 ASP QB 1 67 PRO QG 3.670 . 4.170 4.129 3.904 4.242 0.072 18 0 "[ . 1 . 2]" 1
136 1 17 ASP HB2 1 18 SER HB2 4.240 . 4.740 4.540 4.055 5.122 0.382 2 0 "[ . 1 . 2]" 1
137 1 17 ASP HB2 1 67 PRO HA 3.360 . 3.860 4.119 3.894 4.311 0.451 18 0 "[ . 1 . 2]" 1
138 1 17 ASP H 1 17 ASP QB 2.890 . 3.390 2.774 2.714 2.898 . 0 0 "[ . 1 . 2]" 1
139 1 17 ASP H 1 18 SER QB 5.340 . 5.840 4.548 4.332 5.141 . 0 0 "[ . 1 . 2]" 1
140 1 17 ASP H 1 18 SER H 3.060 . 3.560 2.413 2.281 2.602 . 0 0 "[ . 1 . 2]" 1
141 1 17 ASP H 1 19 SER H 4.340 . 4.840 3.300 3.207 3.454 . 0 0 "[ . 1 . 2]" 1
142 1 18 SER HA 1 18 SER QB 2.510 . 3.010 2.351 2.186 2.438 . 0 0 "[ . 1 . 2]" 1
143 1 18 SER HA 1 18 SER HB3 2.880 . 3.380 2.768 2.406 3.026 . 0 0 "[ . 1 . 2]" 1
144 1 18 SER HA 1 18 SER HB2 2.880 . 3.380 2.687 2.339 3.027 . 0 0 "[ . 1 . 2]" 1
145 1 18 SER HA 1 64 GLY H 4.670 . 5.170 4.451 4.078 4.820 . 0 0 "[ . 1 . 2]" 1
146 1 18 SER HA 1 65 LEU QB 4.240 . 4.740 2.367 2.253 2.905 . 0 0 "[ . 1 . 2]" 1
147 1 18 SER HA 1 65 LEU MD1 4.570 . 5.070 3.661 3.284 4.329 . 0 0 "[ . 1 . 2]" 1
148 1 18 SER HA 1 65 LEU MD2 5.090 . 5.590 4.921 4.771 5.152 . 0 0 "[ . 1 . 2]" 1
149 1 18 SER HA 1 65 LEU H 3.240 . 3.740 3.302 2.812 3.653 . 0 0 "[ . 1 . 2]" 1
150 1 18 SER HA 1 66 GLU H 5.170 . 5.670 5.372 4.596 5.705 0.035 7 0 "[ . 1 . 2]" 1
151 1 18 SER QB 1 19 SER QB 5.180 . 5.680 4.083 3.679 4.616 . 0 0 "[ . 1 . 2]" 1
152 1 18 SER QB 1 19 SER H 4.240 . 4.740 3.584 3.490 3.954 . 0 0 "[ . 1 . 2]" 1
153 1 18 SER QB 1 64 GLY HA2 4.900 . 5.400 4.170 3.516 5.031 . 0 0 "[ . 1 . 2]" 1
154 1 18 SER QB 1 64 GLY H 4.160 . 4.660 3.358 2.713 4.112 . 0 0 "[ . 1 . 2]" 1
155 1 18 SER QB 1 65 LEU QB 4.620 . 5.120 3.712 3.072 4.350 . 0 0 "[ . 1 . 2]" 1
156 1 18 SER QB 1 65 LEU H 3.990 . 4.490 3.011 2.038 4.166 . 0 0 "[ . 1 . 2]" 1
157 1 18 SER H 1 18 SER QB 3.430 . 3.930 2.450 2.357 2.919 . 0 0 "[ . 1 . 2]" 1
158 1 18 SER H 1 18 SER HB3 3.970 . 4.470 3.067 2.417 3.737 . 0 0 "[ . 1 . 2]" 1
159 1 18 SER H 1 18 SER HB2 3.970 . 4.470 2.863 2.426 3.626 . 0 0 "[ . 1 . 2]" 1
160 1 18 SER H 1 19 SER HA 5.290 . 5.790 4.796 4.754 4.845 . 0 0 "[ . 1 . 2]" 1
161 1 18 SER H 1 19 SER H 2.610 . 3.110 2.199 2.131 2.259 . 0 0 "[ . 1 . 2]" 1
162 1 18 SER H 1 65 LEU H 5.500 . 6.000 5.491 5.305 6.011 0.011 1 0 "[ . 1 . 2]" 1
163 1 19 SER HA 1 20 ILE HA 5.500 . 6.000 4.473 4.434 4.517 . 0 0 "[ . 1 . 2]" 1
164 1 19 SER HA 1 20 ILE HB 5.500 . 6.000 5.643 5.610 5.688 . 0 0 "[ . 1 . 2]" 1
165 1 19 SER HA 1 20 ILE MG 3.620 . 4.120 3.485 3.347 3.566 . 0 0 "[ . 1 . 2]" 1
166 1 19 SER HA 1 20 ILE H 2.640 . 3.140 2.210 2.128 2.338 . 0 0 "[ . 1 . 2]" 1
167 1 19 SER HA 1 61 THR MG 3.850 . 4.350 4.468 4.262 4.643 0.293 7 0 "[ . 1 . 2]" 1
168 1 19 SER HA 1 62 VAL HB 5.460 . 5.960 5.299 4.985 5.476 . 0 0 "[ . 1 . 2]" 1
169 1 19 SER HA 1 62 VAL QG 3.930 . 4.430 4.183 3.988 4.455 0.025 7 0 "[ . 1 . 2]" 1
170 1 19 SER HA 1 62 VAL H 5.070 . 5.570 4.586 4.481 4.718 . 0 0 "[ . 1 . 2]" 1
171 1 19 SER HA 1 63 THR HA 3.070 . 3.570 2.432 2.313 2.622 . 0 0 "[ . 1 . 2]" 1
172 1 19 SER HA 1 63 THR HB 3.280 . 3.780 3.714 3.160 3.895 0.115 9 0 "[ . 1 . 2]" 1
173 1 19 SER HA 1 64 GLY H 4.460 . 4.960 4.028 3.825 4.252 . 0 0 "[ . 1 . 2]" 1
174 1 19 SER HA 1 65 LEU MD1 3.740 . 4.240 3.561 3.183 3.825 . 0 0 "[ . 1 . 2]" 1
175 1 19 SER HA 1 65 LEU HG 3.250 . 3.750 3.812 3.734 3.952 0.202 7 0 "[ . 1 . 2]" 1
176 1 19 SER HA 1 65 LEU H 5.500 . 6.000 4.539 4.340 4.788 . 0 0 "[ . 1 . 2]" 1
177 1 19 SER QB 1 20 ILE HA 4.330 . 4.830 4.326 4.029 4.631 . 0 0 "[ . 1 . 2]" 1
178 1 19 SER QB 1 20 ILE MG 5.180 . 5.680 4.390 4.180 4.569 . 0 0 "[ . 1 . 2]" 1
179 1 19 SER QB 1 20 ILE H 2.750 . 3.250 3.063 2.559 3.523 0.273 11 0 "[ . 1 . 2]" 1
180 1 19 SER QB 1 62 VAL QG 5.280 . 5.780 4.878 4.634 5.409 . 0 0 "[ . 1 . 2]" 1
181 1 19 SER QB 1 63 THR HA 2.970 . 3.470 3.027 2.696 3.499 0.029 19 0 "[ . 1 . 2]" 1
182 1 19 SER QB 1 63 THR HB 3.340 . 3.840 2.597 2.249 3.508 . 0 0 "[ . 1 . 2]" 1
183 1 19 SER QB 1 64 GLY H 5.340 . 5.840 4.020 3.578 4.815 . 0 0 "[ . 1 . 2]" 1
184 1 19 SER QB 1 65 LEU HG 5.340 . 5.840 5.160 4.820 5.632 . 0 0 "[ . 1 . 2]" 1
185 1 19 SER HB3 1 63 THR HA 4.390 . 4.890 3.394 2.768 4.698 . 0 0 "[ . 1 . 2]" 1
186 1 19 SER HB3 1 63 THR HB 4.070 . 4.570 2.926 2.325 4.320 . 0 0 "[ . 1 . 2]" 1
187 1 19 SER H 1 19 SER QB 3.600 . 4.100 3.008 2.725 3.261 . 0 0 "[ . 1 . 2]" 1
188 1 19 SER H 1 20 ILE H 4.530 . 5.030 4.267 4.147 4.356 . 0 0 "[ . 1 . 2]" 1
189 1 19 SER H 1 65 LEU QB 4.840 . 5.340 4.717 4.534 5.018 . 0 0 "[ . 1 . 2]" 1
190 1 19 SER H 1 65 LEU H 5.500 . 6.000 5.226 5.097 5.507 . 0 0 "[ . 1 . 2]" 1
191 1 20 ILE HA 1 20 ILE HB 2.850 . 3.350 2.465 2.444 2.490 . 0 0 "[ . 1 . 2]" 1
192 1 20 ILE HA 1 20 ILE MD 4.260 . 4.760 4.131 4.120 4.147 . 0 0 "[ . 1 . 2]" 1
193 1 20 ILE HA 1 20 ILE QG 3.360 . 3.860 3.328 3.315 3.342 . 0 0 "[ . 1 . 2]" 1
194 1 20 ILE HA 1 20 ILE MG 2.870 . 3.370 2.348 2.261 2.420 . 0 0 "[ . 1 . 2]" 1
195 1 20 ILE HA 1 21 GLY H 2.690 . 3.190 2.235 2.205 2.266 . 0 0 "[ . 1 . 2]" 1
196 1 20 ILE HB 1 21 GLY H 3.160 . 3.660 2.943 2.826 3.084 . 0 0 "[ . 1 . 2]" 1
197 1 20 ILE HB 1 62 VAL QG 5.440 . 5.940 4.410 4.254 4.596 . 0 0 "[ . 1 . 2]" 1
198 1 20 ILE MD 1 21 GLY H 4.320 . 4.820 4.635 4.538 4.751 . 0 0 "[ . 1 . 2]" 1
199 1 20 ILE MD 1 22 LEU H 4.850 . 5.350 4.256 4.087 4.616 . 0 0 "[ . 1 . 2]" 1
200 1 20 ILE MD 1 65 LEU MD1 3.520 . 4.020 3.250 2.942 3.415 . 0 0 "[ . 1 . 2]" 1
201 1 20 ILE MD 1 65 LEU MD2 5.250 . 5.750 5.012 4.732 5.218 . 0 0 "[ . 1 . 2]" 1
202 1 20 ILE QG 1 21 GLY H 3.550 . 4.050 3.913 3.819 3.972 . 0 0 "[ . 1 . 2]" 1
203 1 20 ILE QG 1 22 LEU HA 4.340 . 4.840 4.705 4.482 4.929 0.089 17 0 "[ . 1 . 2]" 1
204 1 20 ILE QG 1 22 LEU H 3.340 . 3.840 3.265 3.028 3.564 . 0 0 "[ . 1 . 2]" 1
205 1 20 ILE QG 1 62 VAL QG 3.020 . 3.520 2.126 1.992 2.272 . 0 0 "[ . 1 . 2]" 1
206 1 20 ILE QG 1 62 VAL H 3.610 . 4.110 3.444 3.196 3.674 . 0 0 "[ . 1 . 2]" 1
207 1 20 ILE HG12 1 62 VAL MG2 4.550 . 5.050 2.457 2.265 2.660 . 0 0 "[ . 1 . 2]" 1
208 1 20 ILE MD 1 20 ILE MG 2.400 . 2.900 1.919 1.833 2.028 . 0 0 "[ . 1 . 2]" 1
209 1 20 ILE QG 1 20 ILE MG 2.400 . 2.900 2.273 2.213 2.337 . 0 0 "[ . 1 . 2]" 1
210 1 20 ILE MG 1 65 LEU MD1 2.900 . 3.400 3.183 3.043 3.349 . 0 0 "[ . 1 . 2]" 1
211 1 20 ILE MG 1 65 LEU MD2 4.770 . 5.270 5.397 5.291 5.547 0.277 18 0 "[ . 1 . 2]" 1
212 1 20 ILE H 1 20 ILE HB 4.090 . 4.590 3.845 3.785 3.927 . 0 0 "[ . 1 . 2]" 1
213 1 20 ILE H 1 20 ILE QG 2.900 . 3.400 2.229 2.121 2.383 . 0 0 "[ . 1 . 2]" 1
214 1 20 ILE H 1 20 ILE MG 2.950 . 3.450 2.900 2.740 3.060 . 0 0 "[ . 1 . 2]" 1
215 1 20 ILE H 1 61 THR MG 4.070 . 4.570 3.779 3.206 4.271 . 0 0 "[ . 1 . 2]" 1
216 1 20 ILE H 1 62 VAL QG 5.290 . 5.790 3.081 2.839 3.410 . 0 0 "[ . 1 . 2]" 1
217 1 20 ILE H 1 62 VAL H 3.650 . 4.150 3.345 3.151 3.554 . 0 0 "[ . 1 . 2]" 1
218 1 20 ILE H 1 63 THR HA 3.560 . 4.060 4.018 3.823 4.231 0.171 1 0 "[ . 1 . 2]" 1
219 1 20 ILE H 1 63 THR MG 3.660 . 4.160 3.635 3.357 3.901 . 0 0 "[ . 1 . 2]" 1
220 1 20 ILE H 1 65 LEU MD1 4.190 . 4.690 4.046 3.714 4.597 . 0 0 "[ . 1 . 2]" 1
221 1 21 GLY QA 1 61 THR HB 5.410 . 5.910 5.384 4.927 5.874 . 0 0 "[ . 1 . 2]" 1
222 1 21 GLY H 1 22 LEU H 4.220 . 4.720 3.902 3.805 4.029 . 0 0 "[ . 1 . 2]" 1
223 1 22 LEU HA 1 23 ARG H 2.460 . 2.960 2.156 2.132 2.235 . 0 0 "[ . 1 . 2]" 1
224 1 22 LEU QB 1 60 TYR HB3 3.820 . 4.320 3.328 2.945 3.566 . 0 0 "[ . 1 . 2]" 1
225 1 22 LEU QB 1 60 TYR H 3.330 . 3.830 3.370 2.891 3.673 . 0 0 "[ . 1 . 2]" 1
226 1 22 LEU HB2 1 60 TYR HB3 3.550 . 4.050 3.414 3.001 3.633 . 0 0 "[ . 1 . 2]" 1
227 1 22 LEU HB2 1 60 TYR HB2 3.420 . 4.920 4.790 4.347 5.058 0.138 1 0 "[ . 1 . 2]" 1
228 1 22 LEU HB2 1 62 VAL MG2 3.250 . 3.750 3.726 3.490 3.903 0.153 10 0 "[ . 1 . 2]" 1
229 1 22 LEU H 1 22 LEU QB 2.730 . 3.230 2.375 2.194 2.533 . 0 0 "[ . 1 . 2]" 1
230 1 22 LEU H 1 23 ARG H 4.640 . 5.140 4.524 4.458 4.621 . 0 0 "[ . 1 . 2]" 1
231 1 22 LEU H 1 59 TYR HA 5.500 . 6.000 5.788 5.554 5.989 . 0 0 "[ . 1 . 2]" 1
232 1 22 LEU H 1 60 TYR H 3.590 . 4.090 4.118 4.001 4.290 0.200 8 0 "[ . 1 . 2]" 1
233 1 23 ARG HA 1 23 ARG QD 3.510 . 4.010 3.491 2.126 4.158 0.148 7 0 "[ . 1 . 2]" 1
234 1 23 ARG HA 1 23 ARG QG 3.250 . 3.750 2.441 2.150 3.206 . 0 0 "[ . 1 . 2]" 1
235 1 23 ARG HA 1 23 ARG HG3 3.870 . 4.370 2.583 2.314 3.429 . 0 0 "[ . 1 . 2]" 1
236 1 23 ARG HA 1 23 ARG HG2 3.870 . 4.370 3.243 2.173 3.932 . 0 0 "[ . 1 . 2]" 1
237 1 23 ARG HA 1 24 TRP H 2.510 . 3.010 2.165 2.117 2.227 . 0 0 "[ . 1 . 2]" 1
238 1 23 ARG HA 1 59 TYR QB 3.090 . 3.590 3.142 2.600 3.593 0.003 8 0 "[ . 1 . 2]" 1
239 1 23 ARG HA 1 59 TYR HB2 3.840 . 4.340 3.477 3.103 3.680 . 0 0 "[ . 1 . 2]" 1
240 1 23 ARG HA 1 59 TYR QD 4.390 . 4.890 3.864 2.662 4.960 0.070 1 0 "[ . 1 . 2]" 1
241 1 23 ARG QB 1 23 ARG QD 2.580 . 3.080 2.230 2.122 2.485 . 0 0 "[ . 1 . 2]" 1
242 1 23 ARG QB 1 24 TRP H 3.830 . 4.330 3.627 3.538 3.704 . 0 0 "[ . 1 . 2]" 1
243 1 23 ARG QB 1 59 TYR QB 4.140 . 4.640 3.219 2.320 3.925 . 0 0 "[ . 1 . 2]" 1
244 1 23 ARG HB2 1 59 TYR HA 3.860 . 4.360 4.031 3.577 4.480 0.120 10 0 "[ . 1 . 2]" 1
245 1 23 ARG HB2 1 59 TYR HB2 3.520 . 4.020 3.535 2.486 4.120 0.100 13 0 "[ . 1 . 2]" 1
246 1 23 ARG QD 1 24 TRP H 4.130 . 4.630 3.895 1.829 4.537 . 0 0 "[ . 1 . 2]" 1
247 1 23 ARG QD 1 57 VAL QG 5.280 . 5.780 5.769 4.978 6.037 0.257 6 0 "[ . 1 . 2]" 1
248 1 23 ARG QD 1 58 GLY QA 5.180 . 5.680 5.164 3.575 5.763 0.083 8 0 "[ . 1 . 2]" 1
249 1 23 ARG QD 1 59 TYR QB 4.490 . 4.990 2.867 2.150 3.749 . 0 0 "[ . 1 . 2]" 1
250 1 23 ARG QD 1 59 TYR QD 3.690 . 4.190 3.319 2.254 4.239 0.049 13 0 "[ . 1 . 2]" 1
251 1 23 ARG HD3 1 59 TYR QD 4.460 . 4.960 4.140 2.356 5.177 0.217 16 0 "[ . 1 . 2]" 1
252 1 23 ARG HD2 1 59 TYR QD 4.460 . 4.960 3.780 2.422 5.037 0.077 7 0 "[ . 1 . 2]" 1
253 1 23 ARG QD 1 23 ARG QG 2.330 . 2.830 2.073 2.006 2.108 . 0 0 "[ . 1 . 2]" 1
254 1 23 ARG QG 1 24 TRP H 4.090 . 4.590 2.502 2.245 3.167 . 0 0 "[ . 1 . 2]" 1
255 1 23 ARG QG 1 59 TYR QD 4.090 . 4.590 3.506 2.345 4.721 0.131 14 0 "[ . 1 . 2]" 1
256 1 23 ARG H 1 23 ARG QB 2.670 . 3.170 2.660 2.594 2.804 . 0 0 "[ . 1 . 2]" 1
257 1 23 ARG H 1 23 ARG QD 5.340 . 5.840 4.880 4.410 5.181 . 0 0 "[ . 1 . 2]" 1
258 1 23 ARG H 1 23 ARG QG 4.300 . 4.800 4.095 3.969 4.268 . 0 0 "[ . 1 . 2]" 1
259 1 23 ARG H 1 23 ARG HG3 5.080 . 5.580 4.630 4.187 5.036 . 0 0 "[ . 1 . 2]" 1
260 1 23 ARG H 1 23 ARG HG2 5.080 . 5.580 4.603 4.407 4.986 . 0 0 "[ . 1 . 2]" 1
261 1 23 ARG H 1 24 TRP H 4.590 . 5.090 4.294 4.199 4.390 . 0 0 "[ . 1 . 2]" 1
262 1 24 TRP HA 1 25 THR H 3.490 . 3.990 2.303 2.135 2.398 . 0 0 "[ . 1 . 2]" 1
263 1 24 TRP QB 1 25 THR H 4.060 . 4.560 2.710 2.503 3.329 . 0 0 "[ . 1 . 2]" 1
264 1 24 TRP HB3 1 25 THR H 4.720 . 5.220 3.976 3.791 4.419 . 0 0 "[ . 1 . 2]" 1
265 1 24 TRP HB2 1 25 THR H 4.720 . 5.220 2.762 2.539 3.475 . 0 0 "[ . 1 . 2]" 1
266 1 24 TRP HD1 1 26 PRO HA 4.130 . 5.130 3.334 2.964 5.236 0.106 12 0 "[ . 1 . 2]" 1
267 1 24 TRP H 1 58 GLY QA 5.340 . 5.840 3.833 3.364 4.154 . 0 0 "[ . 1 . 2]" 1
268 1 24 TRP H 1 59 TYR HA 3.400 . 3.900 3.574 3.334 3.938 0.038 12 0 "[ . 1 . 2]" 1
269 1 24 TRP H 1 60 TYR H 5.500 . 6.000 5.521 5.238 5.842 . 0 0 "[ . 1 . 2]" 1
270 1 25 THR HB 1 26 PRO HA 3.930 . 4.730 5.123 5.080 5.175 0.445 13 0 "[ . 1 . 2]" 1
271 1 25 THR HB 1 26 PRO QD 4.240 . 4.740 4.269 4.125 4.326 . 0 0 "[ . 1 . 2]" 1
272 1 25 THR MG 1 26 PRO HA 4.110 . 4.610 4.659 4.610 4.738 0.128 19 0 "[ . 1 . 2]" 1
273 1 25 THR H 1 25 THR HB 3.990 . 4.490 2.757 2.683 2.818 . 0 0 "[ . 1 . 2]" 1
274 1 26 PRO HA 1 27 LEU QD 4.510 . 5.010 3.899 3.716 3.943 . 0 0 "[ . 1 . 2]" 1
275 1 26 PRO HA 1 27 LEU H 3.150 . 3.650 2.256 2.220 2.301 . 0 0 "[ . 1 . 2]" 1
276 1 26 PRO HB3 1 27 LEU MD2 4.890 . 5.690 5.640 5.377 5.731 0.041 4 0 "[ . 1 . 2]" 1
277 1 26 PRO HB2 1 30 SER HB2 3.910 . 4.410 4.426 4.296 4.584 0.174 6 0 "[ . 1 . 2]" 1
278 1 26 PRO HD3 1 58 GLY HA2 3.180 . 3.680 3.557 3.182 3.815 0.135 14 0 "[ . 1 . 2]" 1
279 1 26 PRO QG 1 27 LEU QD 5.440 . 5.940 5.613 5.369 5.686 . 0 0 "[ . 1 . 2]" 1
280 1 26 PRO HG2 1 58 GLY HA2 3.360 . 3.860 3.974 3.890 4.047 0.187 19 0 "[ . 1 . 2]" 1
281 1 27 LEU HA 1 27 LEU QB 2.560 . 3.060 2.333 2.313 2.343 . 0 0 "[ . 1 . 2]" 1
282 1 27 LEU HA 1 27 LEU QD 2.670 . 3.170 2.115 2.098 2.135 . 0 0 "[ . 1 . 2]" 1
283 1 27 LEU HA 1 28 ASN HA 3.870 . 4.370 4.285 4.259 4.310 . 0 0 "[ . 1 . 2]" 1
284 1 27 LEU HA 1 28 ASN QB 4.260 . 4.760 4.019 3.972 4.067 . 0 0 "[ . 1 . 2]" 1
285 1 27 LEU HA 1 28 ASN HB3 3.660 . 4.460 4.553 4.491 4.614 0.154 19 0 "[ . 1 . 2]" 1
286 1 27 LEU HA 1 28 ASN HB2 3.570 . 4.070 4.472 4.427 4.537 0.467 13 0 "[ . 1 . 2]" 1
287 1 27 LEU QB 1 27 LEU QD 2.170 . 2.670 1.916 1.908 1.926 . 0 0 "[ . 1 . 2]" 1
288 1 27 LEU QB 1 28 ASN QB 4.720 . 5.520 4.085 4.009 4.132 . 0 0 "[ . 1 . 2]" 1
289 1 27 LEU QB 1 30 SER QB 3.340 . 3.840 2.267 2.238 2.326 . 0 0 "[ . 1 . 2]" 1
290 1 27 LEU QB 1 31 THR H 5.340 . 5.840 5.508 5.375 5.587 . 0 0 "[ . 1 . 2]" 1
291 1 27 LEU HB3 1 28 ASN HB3 3.010 . 4.510 4.509 4.424 4.560 0.050 7 0 "[ . 1 . 2]" 1
292 1 27 LEU HB3 1 29 SER HB2 3.480 . 3.980 3.440 3.330 3.589 . 0 0 "[ . 1 . 2]" 1
293 1 27 LEU HB3 1 30 SER HB3 4.580 . 6.080 5.417 5.391 5.450 . 0 0 "[ . 1 . 2]" 1
294 1 27 LEU HB3 1 30 SER HB2 4.580 . 5.080 3.885 3.840 3.952 . 0 0 "[ . 1 . 2]" 1
295 1 27 LEU HB2 1 29 SER HB2 3.590 . 4.090 3.639 3.578 3.752 . 0 0 "[ . 1 . 2]" 1
296 1 27 LEU HB2 1 30 SER HA 3.450 . 3.950 3.765 3.571 3.888 . 0 0 "[ . 1 . 2]" 1
297 1 27 LEU HB2 1 30 SER HB3 4.580 . 5.080 3.691 3.677 3.719 . 0 0 "[ . 1 . 2]" 1
298 1 27 LEU HB2 1 30 SER HB2 4.580 . 5.380 2.307 2.275 2.371 . 0 0 "[ . 1 . 2]" 1
299 1 27 LEU QD 1 30 SER HA 4.780 . 5.280 4.385 4.275 4.476 . 0 0 "[ . 1 . 2]" 1
300 1 27 LEU QD 1 30 SER QB 3.120 . 3.920 3.495 3.435 3.546 . 0 0 "[ . 1 . 2]" 1
301 1 27 LEU MD1 1 30 SER HA 3.850 . 4.350 4.477 4.364 4.572 0.222 8 0 "[ . 1 . 2]" 1
302 1 27 LEU MD1 1 30 SER HB3 3.790 . 5.290 4.525 4.425 4.612 . 0 0 "[ . 1 . 2]" 1
303 1 27 LEU MD2 1 28 ASN HB3 3.490 . 4.990 5.183 5.095 5.292 0.302 13 0 "[ . 1 . 2]" 1
304 1 27 LEU MD2 1 30 SER HB2 3.830 . 4.330 4.565 4.434 4.627 0.297 12 0 "[ . 1 . 2]" 1
305 1 27 LEU H 1 27 LEU QB 3.350 . 3.850 2.522 2.490 2.621 . 0 0 "[ . 1 . 2]" 1
306 1 27 LEU H 1 27 LEU HB3 3.870 . 4.370 3.662 3.609 3.758 . 0 0 "[ . 1 . 2]" 1
307 1 27 LEU H 1 27 LEU HB2 3.870 . 4.370 2.569 2.537 2.675 . 0 0 "[ . 1 . 2]" 1
308 1 27 LEU H 1 27 LEU QD 3.410 . 3.910 3.086 2.937 3.240 . 0 0 "[ . 1 . 2]" 1
309 1 27 LEU H 1 27 LEU MD1 3.880 . 4.380 3.659 3.556 3.821 . 0 0 "[ . 1 . 2]" 1
310 1 27 LEU H 1 27 LEU MD2 3.880 . 4.380 3.326 3.126 3.512 . 0 0 "[ . 1 . 2]" 1
311 1 27 LEU H 1 27 LEU HG 3.900 . 4.400 2.267 2.044 2.521 . 0 0 "[ . 1 . 2]" 1
312 1 27 LEU H 1 30 SER HB2 3.190 . 3.690 2.015 1.750 2.292 0.050 6 0 "[ . 1 . 2]" 1
313 1 28 ASN HA 1 29 SER H 4.030 . 4.530 3.508 3.492 3.529 . 0 0 "[ . 1 . 2]" 1
314 1 28 ASN QB 1 29 SER H 4.150 . 4.650 2.682 2.573 2.762 . 0 0 "[ . 1 . 2]" 1
315 1 28 ASN HB3 1 29 SER H 4.840 . 5.340 2.729 2.611 2.814 . 0 0 "[ . 1 . 2]" 1
316 1 28 ASN HB2 1 29 SER H 4.840 . 5.340 3.954 3.888 4.015 . 0 0 "[ . 1 . 2]" 1
317 1 28 ASN H 1 28 ASN HB3 3.780 . 4.280 2.530 2.490 2.583 . 0 0 "[ . 1 . 2]" 1
318 1 28 ASN H 1 28 ASN HB2 3.780 . 4.280 2.441 2.410 2.497 . 0 0 "[ . 1 . 2]" 1
319 1 29 SER HA 1 29 SER QB 2.630 . 3.130 2.379 2.322 2.431 . 0 0 "[ . 1 . 2]" 1
320 1 29 SER H 1 29 SER HB3 4.070 . 4.570 3.611 3.579 3.640 . 0 0 "[ . 1 . 2]" 1
321 1 29 SER H 1 29 SER HB2 4.070 . 4.570 2.428 2.310 2.579 . 0 0 "[ . 1 . 2]" 1
322 1 30 SER HA 1 30 SER QB 2.590 . 3.090 2.466 2.443 2.501 . 0 0 "[ . 1 . 2]" 1
323 1 30 SER HA 1 31 THR HA 4.550 . 5.050 4.376 4.352 4.417 . 0 0 "[ . 1 . 2]" 1
324 1 30 SER HA 1 31 THR H 3.110 . 3.610 2.125 2.054 2.184 . 0 0 "[ . 1 . 2]" 1
325 1 30 SER HA 1 79 ILE HG13 3.780 . 4.580 4.841 4.712 4.992 0.412 8 0 "[ . 1 . 2]" 1
326 1 30 SER QB 1 31 THR H 3.450 . 3.950 3.264 3.044 3.563 . 0 0 "[ . 1 . 2]" 1
327 1 30 SER QB 1 79 ILE HB 5.340 . 5.840 3.849 3.546 4.496 . 0 0 "[ . 1 . 2]" 1
328 1 30 SER QB 1 79 ILE HG12 4.480 . 4.980 4.075 3.770 4.370 . 0 0 "[ . 1 . 2]" 1
329 1 30 SER HB3 1 31 THR H 4.110 . 4.610 3.374 3.121 3.726 . 0 0 "[ . 1 . 2]" 1
330 1 30 SER HB3 1 79 ILE HG12 5.180 . 5.680 4.206 3.865 4.539 . 0 0 "[ . 1 . 2]" 1
331 1 30 SER HB2 1 31 THR H 4.110 . 4.610 4.352 4.228 4.535 . 0 0 "[ . 1 . 2]" 1
332 1 30 SER HB2 1 79 ILE HG12 5.180 . 5.680 5.474 5.234 5.697 0.017 18 0 "[ . 1 . 2]" 1
333 1 31 THR HA 1 31 THR MG 2.460 . 2.960 2.311 2.275 2.369 . 0 0 "[ . 1 . 2]" 1
334 1 31 THR HA 1 32 ILE H 3.170 . 3.670 2.244 2.213 2.320 . 0 0 "[ . 1 . 2]" 1
335 1 31 THR HB 1 79 ILE HB 3.590 . 5.090 2.340 2.290 2.461 . 0 0 "[ . 1 . 2]" 1
336 1 31 THR HB 1 79 ILE HG12 3.430 . 4.930 5.012 4.733 5.176 0.246 7 0 "[ . 1 . 2]" 1
337 1 31 THR HB 1 80 ASN HB3 4.730 . 5.230 3.606 3.333 3.759 . 0 0 "[ . 1 . 2]" 1
338 1 31 THR HB 1 80 ASN H 3.460 . 3.960 1.916 1.776 2.045 0.024 11 0 "[ . 1 . 2]" 1
339 1 31 THR MG 1 32 ILE H 4.530 . 5.030 2.125 2.042 2.236 . 0 0 "[ . 1 . 2]" 1
340 1 31 THR H 1 31 THR HB 3.140 . 3.640 2.763 2.576 2.819 . 0 0 "[ . 1 . 2]" 1
341 1 31 THR H 1 31 THR MG 3.970 . 4.470 3.734 3.708 3.769 . 0 0 "[ . 1 . 2]" 1
342 1 31 THR H 1 79 ILE MD 5.500 . 6.000 2.597 2.277 3.882 . 0 0 "[ . 1 . 2]" 1
343 1 31 THR H 1 79 ILE MG 5.500 . 6.000 2.913 1.928 3.582 . 0 0 "[ . 1 . 2]" 1
344 1 32 ILE HA 1 32 ILE HB 2.670 . 3.170 3.021 3.015 3.031 . 0 0 "[ . 1 . 2]" 1
345 1 32 ILE HA 1 32 ILE MG 2.660 . 3.160 2.279 2.238 2.393 . 0 0 "[ . 1 . 2]" 1
346 1 32 ILE HA 1 33 ILE MG 4.560 . 6.060 4.061 3.930 4.169 . 0 0 "[ . 1 . 2]" 1
347 1 32 ILE MD 1 55 SER HB2 3.800 . 4.300 4.114 3.415 4.627 0.327 9 0 "[ . 1 . 2]" 1
348 1 32 ILE H 1 33 ILE MG 4.440 . 4.940 3.494 3.364 3.755 . 0 0 "[ . 1 . 2]" 1
349 1 32 ILE H 1 33 ILE H 5.120 . 5.620 4.072 4.017 4.182 . 0 0 "[ . 1 . 2]" 1
350 1 32 ILE H 1 79 ILE MG 5.500 . 6.000 5.255 4.681 5.662 . 0 0 "[ . 1 . 2]" 1
351 1 32 ILE H 1 80 ASN H 5.500 . 6.000 5.376 5.191 5.617 . 0 0 "[ . 1 . 2]" 1
352 1 33 ILE HA 1 33 ILE QG 3.380 . 3.880 3.318 3.297 3.427 . 0 0 "[ . 1 . 2]" 1
353 1 33 ILE HA 1 33 ILE MG 2.950 . 3.450 2.251 2.219 2.302 . 0 0 "[ . 1 . 2]" 1
354 1 33 ILE HA 1 34 GLY QA 5.340 . 5.840 3.896 3.879 3.919 . 0 0 "[ . 1 . 2]" 1
355 1 33 ILE HB 1 33 ILE MD 2.630 . 3.130 2.436 2.291 3.182 0.052 6 0 "[ . 1 . 2]" 1
356 1 33 ILE MD 1 79 ILE HA 3.490 . 3.990 2.127 1.989 2.259 . 0 0 "[ . 1 . 2]" 1
357 1 33 ILE MD 1 79 ILE H 5.070 . 5.570 3.866 3.432 4.309 . 0 0 "[ . 1 . 2]" 1
358 1 33 ILE MD 1 80 ASN HA 4.380 . 4.880 4.197 3.709 4.848 . 0 0 "[ . 1 . 2]" 1
359 1 33 ILE MD 1 80 ASN HB3 3.740 . 4.240 4.278 4.245 4.342 0.102 6 0 "[ . 1 . 2]" 1
360 1 33 ILE MD 1 80 ASN HB2 3.290 . 3.790 3.525 3.303 3.918 0.128 6 0 "[ . 1 . 2]" 1
361 1 33 ILE MD 1 80 ASN H 2.990 . 3.490 2.611 2.386 2.817 . 0 0 "[ . 1 . 2]" 1
362 1 33 ILE QG 1 78 LEU HB3 4.610 . 5.110 3.932 3.133 4.763 . 0 0 "[ . 1 . 2]" 1
363 1 33 ILE QG 1 79 ILE HA 3.900 . 4.400 2.919 2.551 3.312 . 0 0 "[ . 1 . 2]" 1
364 1 33 ILE MD 1 33 ILE MG 2.550 . 3.050 1.970 1.817 2.065 . 0 0 "[ . 1 . 2]" 1
365 1 33 ILE QG 1 33 ILE MG 2.810 . 3.310 2.323 2.261 2.510 . 0 0 "[ . 1 . 2]" 1
366 1 33 ILE MG 1 55 SER HB2 3.880 . 4.680 4.843 4.746 5.018 0.338 12 0 "[ . 1 . 2]" 1
367 1 33 ILE MG 1 79 ILE HA 4.750 . 5.250 4.125 3.601 4.530 . 0 0 "[ . 1 . 2]" 1
368 1 33 ILE MG 1 79 ILE HB 5.500 . 6.000 5.291 4.776 5.683 . 0 0 "[ . 1 . 2]" 1
369 1 33 ILE H 1 33 ILE HA 2.920 . 3.420 2.937 2.909 2.962 . 0 0 "[ . 1 . 2]" 1
370 1 33 ILE H 1 33 ILE QG 4.830 . 5.330 2.211 2.122 2.340 . 0 0 "[ . 1 . 2]" 1
371 1 33 ILE H 1 33 ILE MG 3.610 . 4.110 3.110 2.916 3.222 . 0 0 "[ . 1 . 2]" 1
372 1 33 ILE H 1 79 ILE HA 3.470 . 4.970 4.988 4.445 5.222 0.252 12 0 "[ . 1 . 2]" 1
373 1 34 GLY QA 1 35 TYR H 3.040 . 3.540 2.114 2.063 2.186 . 0 0 "[ . 1 . 2]" 1
374 1 34 GLY HA3 1 54 ASP H 4.450 . 4.950 4.688 4.427 5.186 0.236 11 0 "[ . 1 . 2]" 1
375 1 36 ARG HA 1 36 ARG QD 3.870 . 4.370 3.723 3.450 4.120 . 0 0 "[ . 1 . 2]" 1
376 1 36 ARG HA 1 36 ARG HG3 3.700 . 4.200 3.430 3.362 3.612 . 0 0 "[ . 1 . 2]" 1
377 1 36 ARG HA 1 36 ARG HG2 3.660 . 4.160 2.441 2.355 2.555 . 0 0 "[ . 1 . 2]" 1
378 1 36 ARG HA 1 37 ILE MD 5.500 . 6.000 4.841 4.757 4.898 . 0 0 "[ . 1 . 2]" 1
379 1 36 ARG HA 1 37 ILE H 2.740 . 3.240 2.140 2.116 2.170 . 0 0 "[ . 1 . 2]" 1
380 1 36 ARG HA 1 52 PHE HA 3.140 . 3.640 2.648 2.426 2.866 . 0 0 "[ . 1 . 2]" 1
381 1 36 ARG HA 1 52 PHE QB 4.820 . 5.320 4.284 3.871 4.605 . 0 0 "[ . 1 . 2]" 1
382 1 36 ARG HA 1 53 VAL H 3.540 . 4.040 3.630 3.062 3.868 . 0 0 "[ . 1 . 2]" 1
383 1 36 ARG HB3 1 36 ARG QD 2.610 . 3.110 2.387 2.161 2.566 . 0 0 "[ . 1 . 2]" 1
384 1 36 ARG HB2 1 37 ILE H 4.230 . 4.730 4.213 4.113 4.287 . 0 0 "[ . 1 . 2]" 1
385 1 36 ARG QD 1 37 ILE H 3.940 . 4.440 3.595 3.053 4.365 . 0 0 "[ . 1 . 2]" 1
386 1 36 ARG QD 1 38 THR MG 4.330 . 4.830 3.544 3.076 4.115 . 0 0 "[ . 1 . 2]" 1
387 1 36 ARG QD 1 38 THR H 4.150 . 4.650 3.545 3.074 4.231 . 0 0 "[ . 1 . 2]" 1
388 1 36 ARG QD 1 50 GLU HA 4.680 . 5.180 4.707 4.351 5.285 0.105 17 0 "[ . 1 . 2]" 1
389 1 36 ARG QD 1 50 GLU HB2 4.600 . 5.100 2.646 2.249 3.360 . 0 0 "[ . 1 . 2]" 1
390 1 36 ARG QD 1 50 GLU QG 3.400 . 3.900 3.069 2.260 3.905 0.005 15 0 "[ . 1 . 2]" 1
391 1 36 ARG QD 1 76 ILE HB 3.480 . 3.980 3.855 3.442 4.201 0.221 2 0 "[ . 1 . 2]" 1
392 1 36 ARG QD 1 76 ILE MD 3.320 . 3.820 3.010 2.620 3.568 . 0 0 "[ . 1 . 2]" 1
393 1 36 ARG HG2 1 37 ILE MD 3.620 . 5.120 5.249 4.947 5.430 0.310 2 0 "[ . 1 . 2]" 1
394 1 36 ARG HG2 1 37 ILE H 3.060 . 3.560 2.556 2.327 2.739 . 0 0 "[ . 1 . 2]" 1
395 1 36 ARG HG2 1 50 GLU QG 3.420 . 3.920 2.880 2.547 3.392 . 0 0 "[ . 1 . 2]" 1
396 1 36 ARG HG2 1 51 ASP HA 5.500 . 6.000 5.079 4.728 5.396 . 0 0 "[ . 1 . 2]" 1
397 1 36 ARG HG2 1 51 ASP HB3 5.500 . 6.000 5.692 5.262 6.025 0.025 12 0 "[ . 1 . 2]" 1
398 1 36 ARG HG2 1 51 ASP HB2 5.500 . 6.000 5.809 5.282 6.150 0.150 9 0 "[ . 1 . 2]" 1
399 1 36 ARG HG2 1 51 ASP H 3.520 . 4.020 3.416 2.795 4.084 0.064 17 0 "[ . 1 . 2]" 1
400 1 36 ARG HG2 1 52 PHE HA 3.620 . 4.120 4.024 3.516 4.252 0.132 2 0 "[ . 1 . 2]" 1
401 1 37 ILE HA 1 37 ILE MD 3.730 . 4.230 4.135 4.112 4.155 . 0 0 "[ . 1 . 2]" 1
402 1 37 ILE HA 1 37 ILE QG 3.510 . 4.010 3.296 3.286 3.310 . 0 0 "[ . 1 . 2]" 1
403 1 37 ILE HA 1 37 ILE MG 2.770 . 3.270 2.441 2.348 2.490 . 0 0 "[ . 1 . 2]" 1
404 1 37 ILE HA 1 38 THR HB 4.820 . 5.320 4.739 4.595 4.920 . 0 0 "[ . 1 . 2]" 1
405 1 37 ILE HA 1 38 THR H 2.450 . 2.950 2.171 2.119 2.337 . 0 0 "[ . 1 . 2]" 1
406 1 37 ILE HA 1 74 SER QB 5.340 . 5.840 5.719 5.287 6.054 0.214 7 0 "[ . 1 . 2]" 1
407 1 37 ILE HA 1 75 VAL HA 3.380 . 3.880 3.496 3.175 3.675 . 0 0 "[ . 1 . 2]" 1
408 1 37 ILE HA 1 75 VAL QG 3.950 . 4.450 3.908 3.578 4.170 . 0 0 "[ . 1 . 2]" 1
409 1 37 ILE HA 1 76 ILE H 3.820 . 4.320 3.642 3.046 3.914 . 0 0 "[ . 1 . 2]" 1
410 1 37 ILE HB 1 37 ILE MD 3.220 . 3.720 2.491 2.415 2.537 . 0 0 "[ . 1 . 2]" 1
411 1 37 ILE HB 1 38 THR H 3.640 . 4.140 3.373 2.661 3.618 . 0 0 "[ . 1 . 2]" 1
412 1 37 ILE HB 1 62 VAL QG 5.440 . 5.940 3.806 3.616 4.024 . 0 0 "[ . 1 . 2]" 1
413 1 37 ILE HB 1 62 VAL MG2 3.320 . 4.820 4.753 4.579 4.906 0.086 4 0 "[ . 1 . 2]" 1
414 1 37 ILE HB 1 75 VAL QG 4.990 . 5.490 4.024 3.470 4.852 . 0 0 "[ . 1 . 2]" 1
415 1 37 ILE MD 1 50 GLU HA 4.500 . 5.000 4.679 4.439 5.026 0.026 2 0 "[ . 1 . 2]" 1
416 1 37 ILE MD 1 50 GLU QG 4.880 . 5.380 5.639 5.499 5.808 0.428 11 0 "[ . 1 . 2]" 1
417 1 37 ILE MD 1 51 ASP HB2 3.090 . 3.590 2.590 2.138 3.451 . 0 0 "[ . 1 . 2]" 1
418 1 37 ILE MD 1 51 ASP H 3.760 . 4.260 3.572 3.125 3.962 . 0 0 "[ . 1 . 2]" 1
419 1 37 ILE MD 1 53 VAL HB 4.530 . 5.030 4.110 3.922 4.271 . 0 0 "[ . 1 . 2]" 1
420 1 37 ILE MD 1 53 VAL MG2 5.060 . 5.560 4.944 4.804 5.071 . 0 0 "[ . 1 . 2]" 1
421 1 37 ILE MD 1 53 VAL H 5.180 . 5.680 4.908 4.645 5.124 . 0 0 "[ . 1 . 2]" 1
422 1 37 ILE MD 1 60 TYR HB3 3.210 . 3.710 3.017 2.913 3.166 . 0 0 "[ . 1 . 2]" 1
423 1 37 ILE MD 1 60 TYR HB2 3.170 . 3.670 3.745 3.643 3.856 0.186 17 0 "[ . 1 . 2]" 1
424 1 37 ILE MD 1 60 TYR QD 3.370 . 3.870 2.042 2.000 2.118 . 0 0 "[ . 1 . 2]" 1
425 1 37 ILE MD 1 60 TYR QE 3.540 . 4.040 2.324 2.228 2.442 . 0 0 "[ . 1 . 2]" 1
426 1 37 ILE MD 1 61 THR H 5.330 . 5.830 4.570 4.363 4.821 . 0 0 "[ . 1 . 2]" 1
427 1 37 ILE MD 1 62 VAL HB 5.150 . 5.650 4.368 4.269 4.587 . 0 0 "[ . 1 . 2]" 1
428 1 37 ILE MD 1 62 VAL QG 2.770 . 3.270 1.980 1.920 2.125 . 0 0 "[ . 1 . 2]" 1
429 1 37 ILE MD 1 62 VAL MG1 4.710 . 5.210 1.999 1.937 2.155 . 0 0 "[ . 1 . 2]" 1
430 1 37 ILE MD 1 75 VAL HA 5.500 . 6.000 6.224 5.662 6.369 0.369 10 0 "[ . 1 . 2]" 1
431 1 37 ILE QG 1 38 THR H 3.330 . 3.830 3.863 3.411 4.000 0.170 20 0 "[ . 1 . 2]" 1
432 1 37 ILE QG 1 50 GLU HA 3.490 . 3.990 3.466 3.324 3.716 . 0 0 "[ . 1 . 2]" 1
433 1 37 ILE QG 1 51 ASP H 4.360 . 4.860 2.286 2.001 2.553 . 0 0 "[ . 1 . 2]" 1
434 1 37 ILE QG 1 62 VAL HA 5.500 . 6.000 6.055 5.928 6.291 0.291 11 0 "[ . 1 . 2]" 1
435 1 37 ILE QG 1 62 VAL QG 3.790 . 4.290 2.920 2.779 3.182 . 0 0 "[ . 1 . 2]" 1
436 1 37 ILE MD 1 37 ILE MG 2.520 . 3.020 1.881 1.861 1.924 . 0 0 "[ . 1 . 2]" 1
437 1 37 ILE QG 1 37 ILE MG 2.400 . 2.900 2.420 2.381 2.464 . 0 0 "[ . 1 . 2]" 1
438 1 37 ILE MG 1 51 ASP HB3 3.520 . 4.020 4.039 3.506 4.214 0.194 6 0 "[ . 1 . 2]" 1
439 1 37 ILE MG 1 51 ASP HB2 4.780 . 5.280 4.659 3.888 5.342 0.062 11 0 "[ . 1 . 2]" 1
440 1 37 ILE MG 1 51 ASP H 4.370 . 4.870 4.387 4.215 4.618 . 0 0 "[ . 1 . 2]" 1
441 1 37 ILE MG 1 52 PHE HA 4.340 . 4.840 4.363 3.959 4.630 . 0 0 "[ . 1 . 2]" 1
442 1 37 ILE MG 1 60 TYR HB3 3.110 . 3.610 3.293 2.986 3.555 . 0 0 "[ . 1 . 2]" 1
443 1 37 ILE MG 1 60 TYR HB2 2.980 . 3.480 3.763 3.589 3.966 0.486 14 0 "[ . 1 . 2]" 1
444 1 37 ILE MG 1 60 TYR QD 3.920 . 4.420 3.514 3.306 3.713 . 0 0 "[ . 1 . 2]" 1
445 1 37 ILE MG 1 60 TYR QE 4.090 . 4.590 4.614 4.436 4.706 0.116 20 0 "[ . 1 . 2]" 1
446 1 37 ILE MG 1 75 VAL HA 4.150 . 4.650 4.297 3.859 4.437 . 0 0 "[ . 1 . 2]" 1
447 1 37 ILE MG 1 75 VAL QG 2.970 . 3.470 3.485 2.992 3.771 0.301 11 0 "[ . 1 . 2]" 1
448 1 37 ILE MG 1 76 ILE H 4.430 . 4.930 4.688 4.189 4.952 0.022 4 0 "[ . 1 . 2]" 1
449 1 37 ILE H 1 37 ILE HB 3.790 . 4.290 3.680 3.648 3.716 . 0 0 "[ . 1 . 2]" 1
450 1 37 ILE H 1 37 ILE MD 4.020 . 4.520 3.374 3.296 3.422 . 0 0 "[ . 1 . 2]" 1
451 1 37 ILE H 1 37 ILE QG 4.020 . 4.520 2.104 1.925 2.176 . 0 0 "[ . 1 . 2]" 1
452 1 37 ILE H 1 37 ILE MG 3.420 . 3.920 2.256 2.159 2.356 . 0 0 "[ . 1 . 2]" 1
453 1 37 ILE H 1 51 ASP H 3.370 . 3.870 3.294 2.845 3.768 . 0 0 "[ . 1 . 2]" 1
454 1 37 ILE H 1 52 PHE HA 3.810 . 4.310 3.728 3.478 3.908 . 0 0 "[ . 1 . 2]" 1
455 1 37 ILE H 1 52 PHE H 5.360 . 5.860 5.289 5.104 5.480 . 0 0 "[ . 1 . 2]" 1
456 1 38 THR HA 1 38 THR MG 3.130 . 3.630 2.250 2.202 2.356 . 0 0 "[ . 1 . 2]" 1
457 1 38 THR HA 1 39 VAL HA 4.700 . 5.200 4.437 4.425 4.448 . 0 0 "[ . 1 . 2]" 1
458 1 38 THR HA 1 39 VAL QG 3.780 . 4.280 3.391 3.350 3.442 . 0 0 "[ . 1 . 2]" 1
459 1 38 THR HA 1 39 VAL H 3.160 . 3.660 2.164 2.141 2.193 . 0 0 "[ . 1 . 2]" 1
460 1 38 THR HA 1 50 GLU HA 3.900 . 4.400 3.216 2.682 3.548 . 0 0 "[ . 1 . 2]" 1
461 1 38 THR HA 1 50 GLU QG 4.110 . 4.610 4.535 4.278 4.802 0.192 9 0 "[ . 1 . 2]" 1
462 1 38 THR HB 1 39 VAL HA 5.500 . 6.000 4.617 4.503 4.862 . 0 0 "[ . 1 . 2]" 1
463 1 38 THR HB 1 74 SER QB 3.850 . 4.350 2.735 2.286 3.757 . 0 0 "[ . 1 . 2]" 1
464 1 38 THR HB 1 75 VAL HA 5.500 . 6.000 5.286 4.743 5.628 . 0 0 "[ . 1 . 2]" 1
465 1 38 THR MG 1 39 VAL HA 4.100 . 4.600 3.764 3.524 4.047 . 0 0 "[ . 1 . 2]" 1
466 1 38 THR MG 1 39 VAL QG 5.440 . 5.940 3.769 3.589 3.936 . 0 0 "[ . 1 . 2]" 1
467 1 38 THR MG 1 39 VAL H 2.900 . 3.400 2.546 2.345 2.690 . 0 0 "[ . 1 . 2]" 1
468 1 38 THR MG 1 40 VAL H 5.500 . 6.000 4.596 4.352 4.854 . 0 0 "[ . 1 . 2]" 1
469 1 38 THR MG 1 50 GLU HA 3.830 . 4.330 4.369 3.956 4.557 0.227 11 0 "[ . 1 . 2]" 1
470 1 38 THR MG 1 50 GLU HB3 2.660 . 3.160 3.147 2.958 3.256 0.096 9 0 "[ . 1 . 2]" 1
471 1 38 THR MG 1 50 GLU HB2 3.310 . 3.810 3.772 3.411 3.885 0.075 18 0 "[ . 1 . 2]" 1
472 1 38 THR H 1 38 THR HB 3.120 . 3.620 2.682 2.486 2.944 . 0 0 "[ . 1 . 2]" 1
473 1 38 THR H 1 73 ILE HA 5.500 . 6.000 5.688 5.343 5.877 . 0 0 "[ . 1 . 2]" 1
474 1 38 THR H 1 73 ILE HB 5.500 . 6.000 5.878 5.332 6.105 0.105 6 0 "[ . 1 . 2]" 1
475 1 38 THR H 1 74 SER QB 4.480 . 4.980 4.154 3.653 4.515 . 0 0 "[ . 1 . 2]" 1
476 1 38 THR H 1 75 VAL HA 3.360 . 3.860 3.758 3.482 3.909 0.049 20 0 "[ . 1 . 2]" 1
477 1 38 THR H 1 75 VAL QG 4.740 . 5.240 4.440 4.036 4.762 . 0 0 "[ . 1 . 2]" 1
478 1 38 THR H 1 76 ILE HB 5.500 . 6.000 5.071 4.149 5.940 . 0 0 "[ . 1 . 2]" 1
479 1 38 THR H 1 76 ILE MD 4.530 . 5.030 4.352 3.705 5.147 0.117 11 0 "[ . 1 . 2]" 1
480 1 38 THR H 1 76 ILE H 5.150 . 5.650 4.010 3.277 4.797 . 0 0 "[ . 1 . 2]" 1
481 1 39 VAL HA 1 39 VAL QG 2.440 . 2.940 2.356 2.333 2.378 . 0 0 "[ . 1 . 2]" 1
482 1 39 VAL HA 1 39 VAL MG1 3.330 . 3.830 3.183 3.171 3.193 . 0 0 "[ . 1 . 2]" 1
483 1 39 VAL HA 1 39 VAL MG2 3.330 . 3.830 2.427 2.399 2.454 . 0 0 "[ . 1 . 2]" 1
484 1 39 VAL HA 1 40 VAL HB 4.220 . 4.720 4.346 4.328 4.365 . 0 0 "[ . 1 . 2]" 1
485 1 39 VAL HA 1 40 VAL H 2.610 . 3.110 2.217 2.188 2.248 . 0 0 "[ . 1 . 2]" 1
486 1 39 VAL HA 1 62 VAL QG 5.320 . 5.820 5.452 5.213 5.654 . 0 0 "[ . 1 . 2]" 1
487 1 39 VAL HA 1 73 ILE HA 3.710 . 4.210 2.225 2.184 2.306 . 0 0 "[ . 1 . 2]" 1
488 1 39 VAL HA 1 73 ILE HB 4.360 . 4.860 4.181 3.888 4.301 . 0 0 "[ . 1 . 2]" 1
489 1 39 VAL HA 1 73 ILE MD 3.750 . 4.250 4.341 4.233 4.428 0.178 12 0 "[ . 1 . 2]" 1
490 1 39 VAL HA 1 73 ILE QG 5.470 . 5.970 5.117 5.009 5.183 . 0 0 "[ . 1 . 2]" 1
491 1 39 VAL HA 1 73 ILE MG 3.420 . 3.920 2.472 2.179 2.629 . 0 0 "[ . 1 . 2]" 1
492 1 39 VAL HA 1 74 SER QB 5.340 . 5.840 5.169 4.645 5.597 . 0 0 "[ . 1 . 2]" 1
493 1 39 VAL HB 1 65 LEU MD2 3.940 . 4.440 4.446 4.159 4.556 0.116 8 0 "[ . 1 . 2]" 1
494 1 39 VAL QG 1 40 VAL H 3.420 . 3.920 2.255 2.080 2.426 . 0 0 "[ . 1 . 2]" 1
495 1 39 VAL QG 1 49 PHE HA 4.030 . 4.530 4.429 4.195 4.628 0.098 9 0 "[ . 1 . 2]" 1
496 1 39 VAL QG 1 49 PHE QB 4.550 . 5.050 4.719 4.477 4.842 . 0 0 "[ . 1 . 2]" 1
497 1 39 VAL QG 1 62 VAL QG 2.700 . 3.200 3.179 2.971 3.310 0.110 20 0 "[ . 1 . 2]" 1
498 1 39 VAL QG 1 65 LEU MD2 2.690 . 3.190 2.490 2.233 2.618 . 0 0 "[ . 1 . 2]" 1
499 1 39 VAL MG1 1 40 VAL H 4.220 . 4.720 4.034 3.961 4.120 . 0 0 "[ . 1 . 2]" 1
500 1 39 VAL MG1 1 48 ILE HA 4.430 . 4.930 4.250 4.146 4.491 . 0 0 "[ . 1 . 2]" 1
501 1 39 VAL MG1 1 48 ILE HB 4.650 . 5.150 2.084 2.054 2.190 . 0 0 "[ . 1 . 2]" 1
502 1 39 VAL MG1 1 48 ILE MD 5.860 . 6.360 2.991 2.731 3.221 . 0 0 "[ . 1 . 2]" 1
503 1 39 VAL MG1 1 50 GLU HA 3.620 . 4.120 2.892 2.585 3.252 . 0 0 "[ . 1 . 2]" 1
504 1 39 VAL MG1 1 65 LEU MD2 4.150 . 4.650 3.716 3.532 4.006 . 0 0 "[ . 1 . 2]" 1
505 1 39 VAL MG2 1 40 VAL H 4.220 . 4.720 2.267 2.087 2.444 . 0 0 "[ . 1 . 2]" 1
506 1 39 VAL MG2 1 41 ALA HA 3.640 . 4.140 4.239 4.166 4.335 0.195 9 0 "[ . 1 . 2]" 1
507 1 39 VAL MG2 1 48 ILE HB 3.630 . 4.130 2.368 2.219 2.820 . 0 0 "[ . 1 . 2]" 1
508 1 39 VAL MG2 1 65 LEU MD2 4.150 . 4.650 2.531 2.258 2.673 . 0 0 "[ . 1 . 2]" 1
509 1 39 VAL H 1 39 VAL QG 3.020 . 3.520 2.125 2.036 2.164 . 0 0 "[ . 1 . 2]" 1
510 1 39 VAL H 1 40 VAL H 4.890 . 5.390 4.405 4.371 4.449 . 0 0 "[ . 1 . 2]" 1
511 1 40 VAL HA 1 40 VAL QG 2.930 . 3.430 2.095 2.071 2.116 . 0 0 "[ . 1 . 2]" 1
512 1 40 VAL HA 1 41 ALA MB 3.910 . 4.410 3.924 3.889 3.967 . 0 0 "[ . 1 . 2]" 1
513 1 40 VAL HA 1 41 ALA H 3.140 . 3.640 2.159 2.140 2.194 . 0 0 "[ . 1 . 2]" 1
514 1 40 VAL HA 1 47 PRO QB 4.430 . 4.930 2.305 2.111 2.754 . 0 0 "[ . 1 . 2]" 1
515 1 40 VAL HA 1 48 ILE HA 5.000 . 5.500 5.701 5.428 5.800 0.300 2 0 "[ . 1 . 2]" 1
516 1 40 VAL HA 1 48 ILE H 3.530 . 4.030 2.865 2.507 3.020 . 0 0 "[ . 1 . 2]" 1
517 1 40 VAL HB 1 72 ASP HB3 3.960 . 4.460 2.752 2.630 2.890 . 0 0 "[ . 1 . 2]" 1
518 1 40 VAL HB 1 72 ASP HB2 3.340 . 3.840 2.354 2.323 2.421 . 0 0 "[ . 1 . 2]" 1
519 1 40 VAL HB 1 72 ASP H 4.750 . 5.250 3.632 3.550 3.715 . 0 0 "[ . 1 . 2]" 1
520 1 40 VAL QG 1 41 ALA HA 3.580 . 4.080 3.714 3.676 3.768 . 0 0 "[ . 1 . 2]" 1
521 1 40 VAL QG 1 41 ALA H 3.090 . 3.590 2.496 2.365 2.618 . 0 0 "[ . 1 . 2]" 1
522 1 40 VAL QG 1 42 ALA HA 3.400 . 3.900 3.762 3.664 3.862 . 0 0 "[ . 1 . 2]" 1
523 1 40 VAL QG 1 71 TYR HA 3.930 . 4.430 4.432 4.352 4.487 0.057 8 0 "[ . 1 . 2]" 1
524 1 40 VAL QG 1 72 ASP HA 4.380 . 4.880 4.617 4.577 4.645 . 0 0 "[ . 1 . 2]" 1
525 1 40 VAL QG 1 72 ASP HB3 3.490 . 3.990 3.255 3.180 3.345 . 0 0 "[ . 1 . 2]" 1
526 1 40 VAL QG 1 72 ASP HB2 2.830 . 3.330 2.245 2.215 2.270 . 0 0 "[ . 1 . 2]" 1
527 1 40 VAL MG1 1 41 ALA HA 3.950 . 4.450 3.771 3.729 3.831 . 0 0 "[ . 1 . 2]" 1
528 1 40 VAL MG1 1 47 PRO HA 5.170 . 5.670 3.419 3.016 3.588 . 0 0 "[ . 1 . 2]" 1
529 1 40 VAL MG1 1 47 PRO HG2 4.370 . 4.870 4.870 4.788 4.947 0.077 3 0 "[ . 1 . 2]" 1
530 1 40 VAL MG1 1 71 TYR HA 3.790 . 4.290 4.525 4.434 4.587 0.297 9 0 "[ . 1 . 2]" 1
531 1 40 VAL MG1 1 72 ASP HB3 4.520 . 5.020 3.435 3.356 3.521 . 0 0 "[ . 1 . 2]" 1
532 1 40 VAL MG1 1 72 ASP HB2 4.540 . 5.040 2.259 2.226 2.285 . 0 0 "[ . 1 . 2]" 1
533 1 40 VAL H 1 40 VAL HB 3.120 . 3.620 2.610 2.553 2.659 . 0 0 "[ . 1 . 2]" 1
534 1 40 VAL H 1 40 VAL QG 3.420 . 3.920 2.972 2.959 2.988 . 0 0 "[ . 1 . 2]" 1
535 1 40 VAL H 1 41 ALA H 4.530 . 5.030 4.307 4.273 4.340 . 0 0 "[ . 1 . 2]" 1
536 1 40 VAL H 1 47 PRO HA 5.500 . 6.000 5.830 5.607 5.991 . 0 0 "[ . 1 . 2]" 1
537 1 40 VAL H 1 71 TYR HA 3.250 . 4.750 4.950 4.889 5.035 0.285 15 0 "[ . 1 . 2]" 1
538 1 40 VAL H 1 72 ASP HB3 3.470 . 3.970 4.284 4.208 4.369 0.399 19 0 "[ . 1 . 2]" 1
539 1 40 VAL H 1 72 ASP HB2 3.390 . 3.890 3.927 3.881 3.978 0.088 1 0 "[ . 1 . 2]" 1
540 1 40 VAL H 1 73 ILE HA 3.370 . 3.870 2.834 2.775 2.915 . 0 0 "[ . 1 . 2]" 1
541 1 40 VAL H 1 73 ILE MD 3.120 . 3.620 3.918 3.848 3.993 0.373 11 0 "[ . 1 . 2]" 1
542 1 40 VAL H 1 73 ILE H 5.270 . 5.770 4.493 4.459 4.539 . 0 0 "[ . 1 . 2]" 1
543 1 41 ALA HA 1 42 ALA HA 4.670 . 5.170 4.404 4.392 4.417 . 0 0 "[ . 1 . 2]" 1
544 1 41 ALA HA 1 42 ALA H 3.080 . 3.580 2.221 2.177 2.257 . 0 0 "[ . 1 . 2]" 1
545 1 41 ALA HA 1 69 ILE MG 4.170 . 4.670 3.900 3.788 4.314 . 0 0 "[ . 1 . 2]" 1
546 1 41 ALA HA 1 71 TYR HA 3.120 . 3.620 2.326 2.277 2.419 . 0 0 "[ . 1 . 2]" 1
547 1 41 ALA HA 1 71 TYR HB3 3.360 . 3.860 3.979 3.874 4.091 0.231 7 0 "[ . 1 . 2]" 1
548 1 41 ALA HA 1 71 TYR HB2 5.220 . 6.020 4.739 4.571 4.808 . 0 0 "[ . 1 . 2]" 1
549 1 41 ALA HA 1 71 TYR HD1 3.220 . 4.550 4.380 2.553 4.893 0.343 18 0 "[ . 1 . 2]" 1
550 1 41 ALA HA 1 72 ASP H 4.160 . 4.660 3.124 3.036 3.245 . 0 0 "[ . 1 . 2]" 1
551 1 41 ALA MB 1 42 ALA HA 5.720 . 6.220 4.256 4.199 4.322 . 0 0 "[ . 1 . 2]" 1
552 1 41 ALA MB 1 42 ALA H 5.470 . 5.970 3.000 2.904 3.133 . 0 0 "[ . 1 . 2]" 1
553 1 41 ALA MB 1 44 GLU QG 3.350 . 3.850 2.542 2.080 2.910 . 0 0 "[ . 1 . 2]" 1
554 1 41 ALA MB 1 44 GLU H 3.630 . 4.130 3.036 2.382 3.633 . 0 0 "[ . 1 . 2]" 1
555 1 41 ALA MB 1 47 PRO HA 3.720 . 4.220 2.769 2.357 2.917 . 0 0 "[ . 1 . 2]" 1
556 1 41 ALA MB 1 47 PRO HD3 3.810 . 5.310 5.402 5.055 5.565 0.255 9 0 "[ . 1 . 2]" 1
557 1 41 ALA MB 1 48 ILE HB 4.430 . 4.930 4.371 4.096 4.852 . 0 0 "[ . 1 . 2]" 1
558 1 41 ALA MB 1 48 ILE H 4.100 . 4.600 3.337 3.005 3.777 . 0 0 "[ . 1 . 2]" 1
559 1 41 ALA MB 1 69 ILE MG 4.760 . 5.260 3.304 3.145 3.951 . 0 0 "[ . 1 . 2]" 1
560 1 41 ALA MB 1 71 TYR HA 4.210 . 4.710 3.882 3.797 3.994 . 0 0 "[ . 1 . 2]" 1
561 1 41 ALA MB 1 71 TYR HB3 5.500 . 6.000 4.825 4.725 4.936 . 0 0 "[ . 1 . 2]" 1
562 1 41 ALA MB 1 71 TYR HD1 3.450 . 4.600 4.506 2.973 4.946 0.346 18 0 "[ . 1 . 2]" 1
563 1 41 ALA H 1 41 ALA MB 3.350 . 3.850 2.276 2.204 2.320 . 0 0 "[ . 1 . 2]" 1
564 1 41 ALA H 1 47 PRO HA 3.530 . 4.030 2.049 1.885 2.239 . 0 0 "[ . 1 . 2]" 1
565 1 42 ALA HA 1 43 GLY QA 4.700 . 5.200 4.429 4.362 4.497 . 0 0 "[ . 1 . 2]" 1
566 1 42 ALA HA 1 44 GLU QG 5.500 . 6.000 5.777 5.256 6.095 0.095 9 0 "[ . 1 . 2]" 1
567 1 42 ALA HA 1 44 GLU H 3.990 . 4.490 3.782 3.403 4.237 . 0 0 "[ . 1 . 2]" 1
568 1 42 ALA HA 1 71 TYR HA 3.430 . 4.930 5.150 5.020 5.224 0.294 1 0 "[ . 1 . 2]" 1
569 1 42 ALA MB 1 43 GLY QA 3.720 . 4.220 3.568 3.455 3.671 . 0 0 "[ . 1 . 2]" 1
570 1 42 ALA MB 1 43 GLY HA3 3.770 . 4.270 4.172 4.053 4.283 0.013 6 0 "[ . 1 . 2]" 1
571 1 42 ALA MB 1 43 GLY HA2 3.720 . 4.220 3.877 3.745 4.004 . 0 0 "[ . 1 . 2]" 1
572 1 42 ALA MB 1 70 ASP HA 3.930 . 4.430 4.176 4.141 4.237 . 0 0 "[ . 1 . 2]" 1
573 1 42 ALA MB 1 70 ASP QB 3.430 . 3.930 2.209 2.161 2.301 . 0 0 "[ . 1 . 2]" 1
574 1 42 ALA MB 1 70 ASP HB3 4.340 . 4.840 2.225 2.176 2.321 . 0 0 "[ . 1 . 2]" 1
575 1 42 ALA MB 1 70 ASP HB2 4.500 . 5.000 3.723 3.682 3.786 . 0 0 "[ . 1 . 2]" 1
576 1 42 ALA MB 1 71 TYR HA 3.200 . 3.700 3.537 3.389 3.616 . 0 0 "[ . 1 . 2]" 1
577 1 42 ALA MB 1 71 TYR HB3 5.500 . 6.000 5.805 5.710 5.876 . 0 0 "[ . 1 . 2]" 1
578 1 42 ALA MB 1 72 ASP HB3 3.690 . 5.190 5.417 5.295 5.522 0.332 1 0 "[ . 1 . 2]" 1
579 1 42 ALA MB 1 72 ASP HB2 3.720 . 4.220 4.137 4.013 4.245 0.025 13 0 "[ . 1 . 2]" 1
580 1 42 ALA MB 1 72 ASP H 3.820 . 4.320 3.611 3.521 3.722 . 0 0 "[ . 1 . 2]" 1
581 1 42 ALA H 1 42 ALA HA 2.880 . 3.380 2.933 2.917 2.947 . 0 0 "[ . 1 . 2]" 1
582 1 42 ALA H 1 42 ALA MB 2.400 . 2.900 2.324 2.261 2.370 . 0 0 "[ . 1 . 2]" 1
583 1 42 ALA H 1 43 GLY H 4.660 . 5.160 2.243 2.096 2.369 . 0 0 "[ . 1 . 2]" 1
584 1 42 ALA H 1 69 ILE MG 4.250 . 4.750 3.054 2.837 3.838 . 0 0 "[ . 1 . 2]" 1
585 1 42 ALA H 1 71 TYR HA 2.940 . 3.440 2.647 2.531 2.771 . 0 0 "[ . 1 . 2]" 1
586 1 42 ALA H 1 71 TYR HB3 5.090 . 5.590 5.177 5.047 5.275 . 0 0 "[ . 1 . 2]" 1
587 1 42 ALA H 1 72 ASP HB2 4.640 . 5.140 5.015 4.836 5.178 0.038 1 0 "[ . 1 . 2]" 1
588 1 42 ALA H 1 72 ASP H 3.420 . 3.920 3.613 3.484 3.799 . 0 0 "[ . 1 . 2]" 1
589 1 43 GLY QA 1 44 GLU HA 4.570 . 5.070 4.037 4.029 4.053 . 0 0 "[ . 1 . 2]" 1
590 1 43 GLY QA 1 44 GLU H 3.100 . 3.600 2.809 2.775 2.875 . 0 0 "[ . 1 . 2]" 1
591 1 44 GLU HA 1 44 GLU QB 2.400 . 2.900 2.330 2.271 2.383 . 0 0 "[ . 1 . 2]" 1
592 1 44 GLU HA 1 44 GLU QG 3.170 . 3.670 2.646 2.336 3.088 . 0 0 "[ . 1 . 2]" 1
593 1 44 GLU HA 1 45 GLY QA 3.390 . 4.190 3.887 3.869 3.898 . 0 0 "[ . 1 . 2]" 1
594 1 44 GLU HA 1 45 GLY H 4.790 . 5.290 2.196 2.118 2.261 . 0 0 "[ . 1 . 2]" 1
595 1 44 GLU QB 1 45 GLY QA 4.440 . 4.940 4.060 3.966 4.206 . 0 0 "[ . 1 . 2]" 1
596 1 44 GLU HB2 1 45 GLY H 3.590 . 4.090 3.911 3.664 4.154 0.064 9 0 "[ . 1 . 2]" 1
597 1 44 GLU QG 1 69 ILE HB 5.500 . 6.000 5.477 5.089 6.106 0.106 4 0 "[ . 1 . 2]" 1
598 1 44 GLU QG 1 69 ILE HG13 4.860 . 5.360 5.439 5.268 5.530 0.170 19 0 "[ . 1 . 2]" 1
599 1 44 GLU QG 1 69 ILE HG12 4.150 . 4.650 4.175 4.035 4.382 . 0 0 "[ . 1 . 2]" 1
600 1 44 GLU QG 1 69 ILE MG 3.520 . 4.020 3.378 3.001 4.123 0.103 4 0 "[ . 1 . 2]" 1
601 1 44 GLU H 1 44 GLU QB 3.100 . 3.600 2.712 2.473 2.906 . 0 0 "[ . 1 . 2]" 1
602 1 44 GLU H 1 44 GLU QG 3.510 . 4.010 2.688 2.094 3.190 . 0 0 "[ . 1 . 2]" 1
603 1 44 GLU H 1 45 GLY H 3.800 . 4.300 4.406 4.351 4.489 0.189 4 0 "[ . 1 . 2]" 1
604 1 45 GLY QA 1 46 ILE MD 4.460 . 4.960 4.760 4.605 4.945 . 0 0 "[ . 1 . 2]" 1
605 1 46 ILE HA 1 46 ILE MD 3.680 . 4.180 3.703 3.685 3.719 . 0 0 "[ . 1 . 2]" 1
606 1 46 ILE HA 1 46 ILE HG13 3.390 . 3.890 2.332 2.321 2.349 . 0 0 "[ . 1 . 2]" 1
607 1 46 ILE HA 1 46 ILE HG12 3.200 . 3.700 2.567 2.508 2.607 . 0 0 "[ . 1 . 2]" 1
608 1 46 ILE HA 1 46 ILE MG 2.960 . 3.460 2.859 2.815 2.894 . 0 0 "[ . 1 . 2]" 1
609 1 46 ILE HA 1 47 PRO HD2 2.850 . 3.350 2.309 2.267 2.352 . 0 0 "[ . 1 . 2]" 1
610 1 46 ILE HB 1 46 ILE HG13 2.780 . 3.280 2.564 2.540 2.582 . 0 0 "[ . 1 . 2]" 1
611 1 46 ILE HB 1 46 ILE HG12 3.000 . 3.500 3.025 3.020 3.031 . 0 0 "[ . 1 . 2]" 1
612 1 46 ILE HB 1 47 PRO HD2 4.040 . 4.540 4.313 4.241 4.406 . 0 0 "[ . 1 . 2]" 1
613 1 46 ILE HG13 1 47 PRO HD3 3.570 . 4.070 4.234 4.207 4.261 0.191 9 0 "[ . 1 . 2]" 1
614 1 46 ILE HG13 1 47 PRO HD2 3.350 . 3.850 3.618 3.543 3.717 . 0 0 "[ . 1 . 2]" 1
615 1 46 ILE HG12 1 47 PRO HD3 4.070 . 4.570 3.809 3.723 3.921 . 0 0 "[ . 1 . 2]" 1
616 1 46 ILE HG12 1 47 PRO HD2 3.580 . 4.080 2.526 2.405 2.668 . 0 0 "[ . 1 . 2]" 1
617 1 46 ILE HG12 1 47 PRO HG2 3.920 . 4.420 4.588 4.458 4.722 0.302 8 0 "[ . 1 . 2]" 1
618 1 46 ILE HG12 1 46 ILE MG 2.400 . 2.900 2.281 2.268 2.293 . 0 0 "[ . 1 . 2]" 1
619 1 46 ILE MG 1 47 PRO HD3 3.610 . 4.110 3.635 3.603 3.701 . 0 0 "[ . 1 . 2]" 1
620 1 46 ILE MG 1 47 PRO HD2 2.900 . 3.400 2.365 2.298 2.467 . 0 0 "[ . 1 . 2]" 1
621 1 46 ILE MG 1 47 PRO HG2 3.150 . 3.650 3.524 3.397 3.692 0.042 5 0 "[ . 1 . 2]" 1
622 1 47 PRO HA 1 48 ILE MD 4.560 . 5.060 4.500 2.410 5.044 . 0 0 "[ . 1 . 2]" 1
623 1 47 PRO HA 1 48 ILE HG13 3.640 . 4.140 3.837 3.689 4.299 0.159 2 0 "[ . 1 . 2]" 1
624 1 47 PRO HA 1 48 ILE H 2.460 . 2.960 2.374 2.330 2.442 . 0 0 "[ . 1 . 2]" 1
625 1 47 PRO QB 1 48 ILE H 4.040 . 4.540 2.662 2.509 2.769 . 0 0 "[ . 1 . 2]" 1
626 1 47 PRO HG2 1 48 ILE H 4.900 . 5.400 4.489 4.365 4.590 . 0 0 "[ . 1 . 2]" 1
627 1 48 ILE MD 1 66 GLU H 5.140 . 5.640 4.615 4.299 5.748 0.108 9 0 "[ . 1 . 2]" 1
628 1 48 ILE MD 1 71 TYR HB2 5.500 . 6.000 5.755 5.499 6.076 0.076 2 0 "[ . 1 . 2]" 1
629 1 48 ILE QG 1 65 LEU QB 5.330 . 5.830 5.739 5.059 5.933 0.103 2 0 "[ . 1 . 2]" 1
630 1 48 ILE QG 1 65 LEU MD2 3.900 . 4.400 3.575 2.906 3.860 . 0 0 "[ . 1 . 2]" 1
631 1 48 ILE QG 1 66 GLU H 5.340 . 5.840 5.852 5.302 6.147 0.307 1 0 "[ . 1 . 2]" 1
632 1 49 PHE HA 1 50 GLU HA 4.940 . 5.440 4.361 4.344 4.376 . 0 0 "[ . 1 . 2]" 1
633 1 49 PHE HA 1 50 GLU H 2.860 . 3.360 2.203 2.165 2.257 . 0 0 "[ . 1 . 2]" 1
634 1 49 PHE QB 1 50 GLU H 4.040 . 4.540 2.897 2.743 3.014 . 0 0 "[ . 1 . 2]" 1
635 1 49 PHE QB 1 62 VAL MG1 3.840 . 6.340 6.446 6.333 6.578 0.238 7 0 "[ . 1 . 2]" 1
636 1 50 GLU HA 1 51 ASP HA 3.720 . 4.220 4.467 4.368 4.556 0.336 8 0 "[ . 1 . 2]" 1
637 1 50 GLU HA 1 51 ASP HB2 3.290 . 3.790 3.973 3.860 4.098 0.308 11 0 "[ . 1 . 2]" 1
638 1 50 GLU HA 1 51 ASP H 2.410 . 2.910 2.446 2.180 2.632 . 0 0 "[ . 1 . 2]" 1
639 1 50 GLU HB2 1 51 ASP H 3.680 . 4.180 2.504 2.132 3.053 . 0 0 "[ . 1 . 2]" 1
640 1 50 GLU QG 1 51 ASP HA 4.580 . 5.080 3.473 3.115 3.933 . 0 0 "[ . 1 . 2]" 1
641 1 50 GLU HG2 1 51 ASP HA 3.330 . 3.830 3.716 3.305 4.123 0.293 10 0 "[ . 1 . 2]" 1
642 1 50 GLU H 1 50 GLU QG 3.900 . 4.400 3.021 2.451 3.306 . 0 0 "[ . 1 . 2]" 1
643 1 50 GLU H 1 51 ASP H 4.890 . 5.390 4.548 4.505 4.596 . 0 0 "[ . 1 . 2]" 1
644 1 51 ASP HA 1 51 ASP HB3 2.810 . 3.310 2.886 2.696 3.005 . 0 0 "[ . 1 . 2]" 1
645 1 51 ASP HA 1 52 PHE HA 5.190 . 5.690 4.432 4.407 4.465 . 0 0 "[ . 1 . 2]" 1
646 1 51 ASP HA 1 52 PHE QB 4.710 . 5.210 4.411 4.280 4.574 . 0 0 "[ . 1 . 2]" 1
647 1 51 ASP HA 1 52 PHE HD2 4.840 . 6.340 5.757 3.421 6.421 0.081 1 0 "[ . 1 . 2]" 1
648 1 51 ASP HA 1 52 PHE H 2.570 . 3.070 2.250 2.155 2.388 . 0 0 "[ . 1 . 2]" 1
649 1 51 ASP HB3 1 52 PHE HA 4.700 . 5.200 4.481 4.359 4.594 . 0 0 "[ . 1 . 2]" 1
650 1 51 ASP HB3 1 52 PHE QB 5.330 . 5.830 5.379 5.161 5.589 . 0 0 "[ . 1 . 2]" 1
651 1 51 ASP HB3 1 52 PHE H 3.100 . 3.600 3.370 2.989 3.698 0.098 1 0 "[ . 1 . 2]" 1
652 1 51 ASP HB3 1 60 TYR HE1 3.060 . 5.060 4.393 3.762 5.316 0.256 20 0 "[ . 1 . 2]" 1
653 1 51 ASP HB2 1 52 PHE H 3.940 . 4.440 4.248 4.026 4.395 . 0 0 "[ . 1 . 2]" 1
654 1 51 ASP HB2 1 62 VAL MG1 3.500 . 4.000 3.528 3.185 4.066 0.066 10 0 "[ . 1 . 2]" 1
655 1 51 ASP H 1 51 ASP HB2 3.100 . 3.600 2.702 2.215 3.164 . 0 0 "[ . 1 . 2]" 1
656 1 51 ASP H 1 62 VAL QG 4.620 . 5.120 4.757 4.203 5.150 0.030 8 0 "[ . 1 . 2]" 1
657 1 52 PHE HA 1 53 VAL HA 5.070 . 5.570 4.438 4.428 4.455 . 0 0 "[ . 1 . 2]" 1
658 1 52 PHE HA 1 53 VAL H 2.770 . 3.270 2.157 2.140 2.195 . 0 0 "[ . 1 . 2]" 1
659 1 52 PHE QB 1 52 PHE HD2 2.710 . 3.210 2.371 2.322 2.414 . 0 0 "[ . 1 . 2]" 1
660 1 52 PHE QB 1 53 VAL H 3.940 . 4.440 3.303 3.154 3.414 . 0 0 "[ . 1 . 2]" 1
661 1 52 PHE H 1 52 PHE QB 2.820 . 3.320 2.549 2.416 2.739 . 0 0 "[ . 1 . 2]" 1
662 1 52 PHE H 1 52 PHE HD2 3.830 . 5.330 4.610 2.507 5.091 . 0 0 "[ . 1 . 2]" 1
663 1 52 PHE H 1 53 VAL H 4.790 . 5.290 4.345 4.306 4.377 . 0 0 "[ . 1 . 2]" 1
664 1 53 VAL HA 1 53 VAL HB 2.980 . 3.480 2.538 2.504 2.565 . 0 0 "[ . 1 . 2]" 1
665 1 53 VAL HA 1 53 VAL MG2 2.700 . 3.200 2.321 2.281 2.358 . 0 0 "[ . 1 . 2]" 1
666 1 53 VAL HA 1 54 ASP HA 4.530 . 5.030 4.337 4.325 4.348 . 0 0 "[ . 1 . 2]" 1
667 1 53 VAL HA 1 54 ASP H 2.560 . 3.060 2.187 2.164 2.220 . 0 0 "[ . 1 . 2]" 1
668 1 53 VAL HA 1 57 VAL QG 3.610 . 4.110 4.017 3.759 4.317 0.207 1 0 "[ . 1 . 2]" 1
669 1 53 VAL HA 1 60 TYR QD 4.600 . 5.100 4.432 4.144 4.765 . 0 0 "[ . 1 . 2]" 1
670 1 53 VAL HA 1 60 TYR QE 4.650 . 5.150 4.290 4.085 4.535 . 0 0 "[ . 1 . 2]" 1
671 1 53 VAL HB 1 54 ASP H 4.370 . 4.870 4.198 4.138 4.256 . 0 0 "[ . 1 . 2]" 1
672 1 53 VAL HB 1 57 VAL HB 5.500 . 6.000 5.007 4.647 5.348 . 0 0 "[ . 1 . 2]" 1
673 1 53 VAL HB 1 57 VAL MG1 4.570 . 5.070 4.713 4.545 4.988 . 0 0 "[ . 1 . 2]" 1
674 1 53 VAL HB 1 57 VAL MG2 4.570 . 5.070 4.769 4.462 5.120 0.050 1 0 "[ . 1 . 2]" 1
675 1 53 VAL HB 1 60 TYR HA 4.780 . 5.280 4.818 4.590 5.163 . 0 0 "[ . 1 . 2]" 1
676 1 53 VAL HB 1 60 TYR QD 3.750 . 4.250 2.546 2.327 2.916 . 0 0 "[ . 1 . 2]" 1
677 1 53 VAL HB 1 60 TYR QE 4.090 . 4.590 3.139 2.759 3.354 . 0 0 "[ . 1 . 2]" 1
678 1 53 VAL MG1 1 54 ASP HA 4.020 . 4.520 4.316 4.194 4.416 . 0 0 "[ . 1 . 2]" 1
679 1 53 VAL MG1 1 54 ASP H 3.420 . 3.920 3.665 3.546 3.807 . 0 0 "[ . 1 . 2]" 1
680 1 53 VAL MG1 1 57 VAL QG 3.160 . 3.660 3.475 3.350 3.593 . 0 0 "[ . 1 . 2]" 1
681 1 53 VAL MG1 1 57 VAL MG1 3.730 . 4.230 3.851 3.610 4.079 . 0 0 "[ . 1 . 2]" 1
682 1 53 VAL MG1 1 57 VAL MG2 3.730 . 4.230 3.966 3.788 4.152 . 0 0 "[ . 1 . 2]" 1
683 1 53 VAL MG1 1 59 TYR HA 3.420 . 4.920 4.984 4.732 5.191 0.271 20 0 "[ . 1 . 2]" 1
684 1 53 VAL MG1 1 60 TYR HA 3.700 . 4.200 4.303 4.190 4.416 0.216 1 0 "[ . 1 . 2]" 1
685 1 53 VAL MG1 1 60 TYR HB3 3.610 . 4.110 3.593 3.412 3.706 . 0 0 "[ . 1 . 2]" 1
686 1 53 VAL MG1 1 60 TYR HB2 3.650 . 4.150 2.275 2.214 2.404 . 0 0 "[ . 1 . 2]" 1
687 1 53 VAL MG2 1 54 ASP HA 4.790 . 5.290 4.179 4.091 4.263 . 0 0 "[ . 1 . 2]" 1
688 1 53 VAL MG2 1 54 ASP HB2 3.980 . 4.480 3.430 3.330 3.561 . 0 0 "[ . 1 . 2]" 1
689 1 53 VAL MG2 1 54 ASP H 3.030 . 3.530 2.271 2.061 2.467 . 0 0 "[ . 1 . 2]" 1
690 1 53 VAL MG2 1 57 VAL QG 2.510 . 3.010 2.007 1.901 2.239 . 0 0 "[ . 1 . 2]" 1
691 1 53 VAL MG2 1 60 TYR HA 3.750 . 4.250 3.610 3.470 3.841 . 0 0 "[ . 1 . 2]" 1
692 1 53 VAL MG2 1 60 TYR HB3 3.920 . 4.420 4.507 4.249 4.646 0.226 14 0 "[ . 1 . 2]" 1
693 1 53 VAL MG2 1 60 TYR HB2 3.820 . 4.320 3.004 2.691 3.199 . 0 0 "[ . 1 . 2]" 1
694 1 53 VAL MG2 1 60 TYR QD 3.160 . 3.660 2.129 2.060 2.249 . 0 0 "[ . 1 . 2]" 1
695 1 53 VAL MG2 1 60 TYR QE 3.170 . 3.670 3.088 2.770 3.492 . 0 0 "[ . 1 . 2]" 1
696 1 53 VAL H 1 53 VAL HB 4.140 . 4.640 3.025 2.990 3.073 . 0 0 "[ . 1 . 2]" 1
697 1 53 VAL H 1 53 VAL MG1 2.910 . 3.410 2.144 2.041 2.254 . 0 0 "[ . 1 . 2]" 1
698 1 53 VAL H 1 53 VAL MG2 4.040 . 4.540 3.916 3.897 3.939 . 0 0 "[ . 1 . 2]" 1
699 1 54 ASP HA 1 54 ASP HB2 2.920 . 3.420 3.015 3.008 3.019 . 0 0 "[ . 1 . 2]" 1
700 1 54 ASP HA 1 55 SER QB 4.420 . 4.920 4.251 4.124 4.451 . 0 0 "[ . 1 . 2]" 1
701 1 54 ASP HA 1 55 SER H 2.900 . 3.400 2.258 2.194 2.355 . 0 0 "[ . 1 . 2]" 1
702 1 54 ASP HA 1 56 SER H 4.740 . 5.240 4.039 3.871 4.245 . 0 0 "[ . 1 . 2]" 1
703 1 54 ASP HA 1 57 VAL QG 3.890 . 4.390 4.347 4.173 4.458 0.068 6 0 "[ . 1 . 2]" 1
704 1 54 ASP HB3 1 55 SER H 3.840 . 4.340 2.893 2.599 3.078 . 0 0 "[ . 1 . 2]" 1
705 1 54 ASP HB3 1 56 SER QB 5.160 . 5.660 3.027 2.743 3.209 . 0 0 "[ . 1 . 2]" 1
706 1 54 ASP HB3 1 56 SER H 3.550 . 4.050 2.611 2.471 2.706 . 0 0 "[ . 1 . 2]" 1
707 1 54 ASP HB3 1 57 VAL HB 4.780 . 5.280 5.132 4.720 5.341 0.061 14 0 "[ . 1 . 2]" 1
708 1 54 ASP HB3 1 57 VAL QG 3.000 . 3.500 3.371 3.213 3.470 . 0 0 "[ . 1 . 2]" 1
709 1 54 ASP HB3 1 57 VAL H 3.860 . 4.360 3.475 3.268 3.597 . 0 0 "[ . 1 . 2]" 1
710 1 54 ASP HB2 1 55 SER H 4.130 . 4.630 4.054 3.867 4.189 . 0 0 "[ . 1 . 2]" 1
711 1 54 ASP HB2 1 56 SER HB2 3.190 . 3.690 3.551 3.445 3.761 0.071 8 0 "[ . 1 . 2]" 1
712 1 54 ASP HB2 1 56 SER H 4.730 . 5.230 3.760 3.658 3.899 . 0 0 "[ . 1 . 2]" 1
713 1 54 ASP HB2 1 57 VAL HA 5.500 . 6.000 5.249 4.953 5.635 . 0 0 "[ . 1 . 2]" 1
714 1 54 ASP HB2 1 57 VAL HB 5.500 . 6.000 4.111 3.686 4.523 . 0 0 "[ . 1 . 2]" 1
715 1 54 ASP HB2 1 57 VAL QG 2.740 . 3.240 2.250 2.129 2.342 . 0 0 "[ . 1 . 2]" 1
716 1 54 ASP HB2 1 57 VAL H 5.140 . 5.640 3.202 3.090 3.369 . 0 0 "[ . 1 . 2]" 1
717 1 54 ASP H 1 54 ASP HB3 3.500 . 4.000 3.567 3.542 3.580 . 0 0 "[ . 1 . 2]" 1
718 1 54 ASP H 1 54 ASP HB2 2.630 . 3.130 2.367 2.283 2.412 . 0 0 "[ . 1 . 2]" 1
719 1 54 ASP H 1 57 VAL QG 3.420 . 3.920 3.008 2.769 3.282 . 0 0 "[ . 1 . 2]" 1
720 1 55 SER H 1 55 SER QB 3.520 . 4.020 2.237 2.119 2.364 . 0 0 "[ . 1 . 2]" 1
721 1 55 SER H 1 56 SER H 3.740 . 4.240 2.636 2.583 2.677 . 0 0 "[ . 1 . 2]" 1
722 1 55 SER H 1 57 VAL HB 5.500 . 6.000 5.650 5.402 6.014 0.014 1 0 "[ . 1 . 2]" 1
723 1 55 SER H 1 57 VAL QG 4.570 . 5.070 4.787 4.625 4.897 . 0 0 "[ . 1 . 2]" 1
724 1 55 SER H 1 57 VAL H 5.500 . 6.000 4.282 4.160 4.393 . 0 0 "[ . 1 . 2]" 1
725 1 56 SER HA 1 56 SER QB 2.520 . 3.020 2.382 2.337 2.423 . 0 0 "[ . 1 . 2]" 1
726 1 56 SER HA 1 57 VAL H 3.740 . 4.240 3.519 3.494 3.548 . 0 0 "[ . 1 . 2]" 1
727 1 56 SER QB 1 57 VAL HA 3.790 . 4.290 3.906 3.858 4.018 . 0 0 "[ . 1 . 2]" 1
728 1 56 SER QB 1 57 VAL QG 3.760 . 4.260 3.076 2.756 3.270 . 0 0 "[ . 1 . 2]" 1
729 1 56 SER QB 1 57 VAL H 3.630 . 4.130 2.680 2.559 2.773 . 0 0 "[ . 1 . 2]" 1
730 1 56 SER H 1 56 SER QB 2.940 . 3.440 2.459 2.348 2.556 . 0 0 "[ . 1 . 2]" 1
731 1 56 SER H 1 57 VAL HA 5.500 . 6.000 5.343 5.295 5.391 . 0 0 "[ . 1 . 2]" 1
732 1 56 SER H 1 57 VAL HB 5.440 . 5.940 5.057 4.909 5.408 . 0 0 "[ . 1 . 2]" 1
733 1 56 SER H 1 57 VAL QG 4.060 . 4.560 3.918 3.732 4.023 . 0 0 "[ . 1 . 2]" 1
734 1 56 SER H 1 57 VAL H 3.100 . 3.600 2.746 2.682 2.814 . 0 0 "[ . 1 . 2]" 1
735 1 57 VAL HA 1 57 VAL QG 2.210 . 2.710 2.117 2.076 2.133 . 0 0 "[ . 1 . 2]" 1
736 1 57 VAL HA 1 57 VAL MG1 2.590 . 3.090 2.349 2.255 2.387 . 0 0 "[ . 1 . 2]" 1
737 1 57 VAL HA 1 57 VAL MG2 2.590 . 3.090 2.411 2.317 2.595 . 0 0 "[ . 1 . 2]" 1
738 1 57 VAL HA 1 59 TYR QD 5.500 . 6.000 5.053 3.513 6.019 0.019 6 0 "[ . 1 . 2]" 1
739 1 57 VAL HB 1 58 GLY QA 5.190 . 5.690 4.250 4.131 4.769 . 0 0 "[ . 1 . 2]" 1
740 1 57 VAL HB 1 58 GLY H 3.510 . 4.510 2.809 2.489 4.398 . 0 0 "[ . 1 . 2]" 1
741 1 57 VAL HB 1 59 TYR QD 5.500 . 6.000 5.257 4.775 5.693 . 0 0 "[ . 1 . 2]" 1
742 1 57 VAL HB 1 59 TYR H 3.390 . 3.890 3.054 2.569 3.692 . 0 0 "[ . 1 . 2]" 1
743 1 57 VAL HB 1 60 TYR HA 5.500 . 6.000 5.593 5.285 6.044 0.044 8 0 "[ . 1 . 2]" 1
744 1 57 VAL HB 1 60 TYR HB2 5.470 . 5.970 5.092 4.774 5.415 . 0 0 "[ . 1 . 2]" 1
745 1 57 VAL QG 1 58 GLY QA 4.710 . 5.210 3.865 3.732 4.219 . 0 0 "[ . 1 . 2]" 1
746 1 57 VAL QG 1 58 GLY H 3.510 . 4.010 3.238 3.122 3.632 . 0 0 "[ . 1 . 2]" 1
747 1 57 VAL QG 1 59 TYR HA 4.350 . 4.850 3.959 3.713 4.337 . 0 0 "[ . 1 . 2]" 1
748 1 57 VAL QG 1 59 TYR QD 3.370 . 3.870 2.874 2.728 3.105 . 0 0 "[ . 1 . 2]" 1
749 1 57 VAL QG 1 59 TYR H 2.690 . 3.190 2.073 1.796 2.399 0.004 8 0 "[ . 1 . 2]" 1
750 1 57 VAL QG 1 60 TYR QD 3.580 . 4.080 3.400 3.106 3.759 . 0 0 "[ . 1 . 2]" 1
751 1 57 VAL MG1 1 60 TYR HA 3.810 . 4.310 3.666 3.428 3.916 . 0 0 "[ . 1 . 2]" 1
752 1 57 VAL MG1 1 60 TYR QD 5.020 . 5.520 3.515 3.192 3.888 . 0 0 "[ . 1 . 2]" 1
753 1 57 VAL MG2 1 60 TYR QD 5.020 . 5.520 4.555 4.106 4.990 . 0 0 "[ . 1 . 2]" 1
754 1 57 VAL H 1 57 VAL HB 2.840 . 3.340 2.569 2.469 2.793 . 0 0 "[ . 1 . 2]" 1
755 1 57 VAL H 1 57 VAL QG 2.570 . 3.070 1.976 1.831 2.118 . 0 0 "[ . 1 . 2]" 1
756 1 57 VAL H 1 57 VAL MG1 3.850 . 4.350 3.755 3.734 3.799 . 0 0 "[ . 1 . 2]" 1
757 1 57 VAL H 1 57 VAL MG2 3.850 . 4.350 1.983 1.835 2.130 . 0 0 "[ . 1 . 2]" 1
758 1 57 VAL H 1 58 GLY H 3.210 . 4.710 2.871 2.594 3.984 . 0 0 "[ . 1 . 2]" 1
759 1 58 GLY QA 1 59 TYR QB 5.180 . 5.680 3.979 3.800 4.233 . 0 0 "[ . 1 . 2]" 1
760 1 59 TYR HA 1 59 TYR QD 3.800 . 4.300 3.258 2.539 3.700 . 0 0 "[ . 1 . 2]" 1
761 1 59 TYR HA 1 60 TYR H 2.660 . 3.160 2.287 2.235 2.362 . 0 0 "[ . 1 . 2]" 1
762 1 59 TYR QB 1 60 TYR H 4.140 . 4.640 3.025 2.489 3.548 . 0 0 "[ . 1 . 2]" 1
763 1 59 TYR QD 1 60 TYR HA 3.460 . 3.960 3.161 2.701 3.806 . 0 0 "[ . 1 . 2]" 1
764 1 59 TYR QD 1 60 TYR H 3.780 . 4.280 3.139 2.534 3.767 . 0 0 "[ . 1 . 2]" 1
765 1 59 TYR QD 1 61 THR H 4.520 . 5.020 4.793 4.321 5.209 0.189 19 0 "[ . 1 . 2]" 1
766 1 59 TYR H 1 59 TYR QB 3.450 . 3.950 2.918 2.355 3.315 . 0 0 "[ . 1 . 2]" 1
767 1 59 TYR H 1 59 TYR HB3 4.070 . 4.570 3.058 2.439 3.507 . 0 0 "[ . 1 . 2]" 1
768 1 59 TYR H 1 59 TYR HB2 4.070 . 4.570 3.698 3.111 4.088 . 0 0 "[ . 1 . 2]" 1
769 1 59 TYR H 1 59 TYR QD 3.780 . 4.280 3.589 2.561 4.373 0.093 19 0 "[ . 1 . 2]" 1
770 1 59 TYR H 1 60 TYR H 4.930 . 5.430 4.384 4.279 4.565 . 0 0 "[ . 1 . 2]" 1
771 1 60 TYR HA 1 60 TYR QD 2.910 . 3.410 2.483 2.351 2.611 . 0 0 "[ . 1 . 2]" 1
772 1 60 TYR HA 1 61 THR HB 3.970 . 4.470 4.549 4.493 4.591 0.121 14 0 "[ . 1 . 2]" 1
773 1 60 TYR HA 1 61 THR H 2.420 . 2.920 2.343 2.270 2.399 . 0 0 "[ . 1 . 2]" 1
774 1 60 TYR HB3 1 61 THR H 3.820 . 4.320 3.524 3.417 3.750 . 0 0 "[ . 1 . 2]" 1
775 1 60 TYR HB2 1 61 THR H 4.580 . 5.080 4.011 3.938 4.138 . 0 0 "[ . 1 . 2]" 1
776 1 60 TYR QD 1 61 THR HB 5.300 . 5.800 4.902 4.768 4.999 . 0 0 "[ . 1 . 2]" 1
777 1 60 TYR QD 1 61 THR H 3.240 . 3.740 2.976 2.817 3.176 . 0 0 "[ . 1 . 2]" 1
778 1 60 TYR QD 1 62 VAL H 5.500 . 6.000 4.512 4.322 4.666 . 0 0 "[ . 1 . 2]" 1
779 1 60 TYR QE 1 61 THR HB 5.500 . 6.000 5.067 4.847 5.195 . 0 0 "[ . 1 . 2]" 1
780 1 60 TYR QE 1 61 THR H 4.820 . 5.320 3.756 3.611 3.936 . 0 0 "[ . 1 . 2]" 1
781 1 60 TYR H 1 60 TYR HB3 3.540 . 4.040 3.110 3.040 3.169 . 0 0 "[ . 1 . 2]" 1
782 1 60 TYR H 1 60 TYR HB2 4.180 . 4.680 3.273 3.231 3.313 . 0 0 "[ . 1 . 2]" 1
783 1 60 TYR H 1 61 THR H 4.410 . 4.910 4.351 4.309 4.365 . 0 0 "[ . 1 . 2]" 1
784 1 61 THR HA 1 61 THR MG 2.680 . 3.180 2.325 2.295 2.383 . 0 0 "[ . 1 . 2]" 1
785 1 61 THR HA 1 62 VAL MG1 3.780 . 4.280 4.218 4.066 4.342 0.062 7 0 "[ . 1 . 2]" 1
786 1 61 THR HA 1 62 VAL MG2 3.540 . 4.040 3.187 3.154 3.220 . 0 0 "[ . 1 . 2]" 1
787 1 61 THR HA 1 62 VAL H 2.490 . 2.990 2.162 2.143 2.191 . 0 0 "[ . 1 . 2]" 1
788 1 61 THR HB 1 62 VAL H 4.540 . 5.040 4.103 4.022 4.196 . 0 0 "[ . 1 . 2]" 1
789 1 61 THR MG 1 62 VAL HA 4.050 . 4.550 3.521 3.413 3.692 . 0 0 "[ . 1 . 2]" 1
790 1 61 THR MG 1 62 VAL H 3.290 . 3.790 2.437 2.198 2.522 . 0 0 "[ . 1 . 2]" 1
791 1 61 THR MG 1 63 THR MG 2.850 . 3.350 2.006 1.942 2.154 . 0 0 "[ . 1 . 2]" 1
792 1 61 THR H 1 61 THR HB 2.770 . 3.270 2.610 2.453 2.702 . 0 0 "[ . 1 . 2]" 1
793 1 61 THR H 1 61 THR MG 3.830 . 4.330 3.837 3.758 3.909 . 0 0 "[ . 1 . 2]" 1
794 1 61 THR H 1 62 VAL HA 4.110 . 4.910 4.986 4.897 5.112 0.202 16 0 "[ . 1 . 2]" 1
795 1 61 THR H 1 62 VAL MG1 3.960 . 4.460 4.200 4.100 4.375 . 0 0 "[ . 1 . 2]" 1
796 1 61 THR H 1 62 VAL MG2 4.090 . 4.590 4.557 4.343 4.657 0.067 8 0 "[ . 1 . 2]" 1
797 1 61 THR H 1 62 VAL H 4.330 . 4.830 4.395 4.365 4.442 . 0 0 "[ . 1 . 2]" 1
798 1 62 VAL HA 1 62 VAL QG 2.860 . 3.360 2.178 2.159 2.201 . 0 0 "[ . 1 . 2]" 1
799 1 62 VAL HA 1 62 VAL MG1 3.310 . 3.810 2.221 2.200 2.246 . 0 0 "[ . 1 . 2]" 1
800 1 62 VAL HA 1 62 VAL MG2 3.310 . 3.810 3.140 3.117 3.152 . 0 0 "[ . 1 . 2]" 1
801 1 62 VAL HA 1 63 THR MG 3.670 . 4.170 3.541 3.318 3.672 . 0 0 "[ . 1 . 2]" 1
802 1 62 VAL HA 1 63 THR H 3.360 . 3.860 2.172 2.128 2.209 . 0 0 "[ . 1 . 2]" 1
803 1 62 VAL HB 1 65 LEU MD1 3.660 . 4.160 3.387 2.763 3.910 . 0 0 "[ . 1 . 2]" 1
804 1 62 VAL QG 1 63 THR HA 4.370 . 4.870 4.339 4.284 4.400 . 0 0 "[ . 1 . 2]" 1
805 1 62 VAL QG 1 63 THR HB 5.440 . 5.940 5.761 5.695 5.802 . 0 0 "[ . 1 . 2]" 1
806 1 62 VAL QG 1 63 THR MG 4.370 . 4.870 3.967 3.844 4.049 . 0 0 "[ . 1 . 2]" 1
807 1 62 VAL H 1 62 VAL HB 3.850 . 4.350 3.668 3.628 3.693 . 0 0 "[ . 1 . 2]" 1
808 1 62 VAL H 1 62 VAL QG 2.870 . 3.370 2.031 2.007 2.060 . 0 0 "[ . 1 . 2]" 1
809 1 62 VAL H 1 62 VAL MG1 3.680 . 4.180 3.394 3.305 3.488 . 0 0 "[ . 1 . 2]" 1
810 1 62 VAL H 1 62 VAL MG2 3.680 . 4.180 2.047 2.021 2.078 . 0 0 "[ . 1 . 2]" 1
811 1 62 VAL H 1 63 THR MG 3.670 . 4.170 3.381 3.155 3.571 . 0 0 "[ . 1 . 2]" 1
812 1 63 THR HA 1 64 GLY HA3 3.760 . 4.260 4.445 4.432 4.456 0.196 10 0 "[ . 1 . 2]" 1
813 1 63 THR HA 1 64 GLY H 2.880 . 3.380 2.328 2.269 2.393 . 0 0 "[ . 1 . 2]" 1
814 1 63 THR HA 1 65 LEU MD1 5.090 . 5.590 3.915 3.617 4.102 . 0 0 "[ . 1 . 2]" 1
815 1 63 THR HA 1 65 LEU MD2 5.280 . 5.780 4.134 3.676 4.407 . 0 0 "[ . 1 . 2]" 1
816 1 63 THR HA 1 65 LEU H 4.820 . 5.320 3.502 3.130 3.866 . 0 0 "[ . 1 . 2]" 1
817 1 63 THR HB 1 64 GLY HA3 4.220 . 4.720 4.809 4.726 4.883 0.163 18 0 "[ . 1 . 2]" 1
818 1 63 THR HB 1 64 GLY H 2.680 . 3.180 2.644 2.558 2.775 . 0 0 "[ . 1 . 2]" 1
819 1 63 THR HB 1 65 LEU H 4.680 . 5.180 4.576 4.413 4.824 . 0 0 "[ . 1 . 2]" 1
820 1 63 THR MG 1 64 GLY H 4.410 . 4.910 4.016 3.967 4.058 . 0 0 "[ . 1 . 2]" 1
821 1 63 THR H 1 65 LEU HG 5.500 . 6.000 5.185 4.902 5.344 . 0 0 "[ . 1 . 2]" 1
822 1 64 GLY HA2 1 65 LEU HA 4.580 . 5.080 4.600 4.503 4.745 . 0 0 "[ . 1 . 2]" 1
823 1 64 GLY HA2 1 65 LEU MD2 4.980 . 5.480 4.388 4.262 4.598 . 0 0 "[ . 1 . 2]" 1
824 1 64 GLY HA2 1 65 LEU HG 5.500 . 6.000 4.669 4.374 4.970 . 0 0 "[ . 1 . 2]" 1
825 1 64 GLY HA2 1 65 LEU H 3.310 . 3.810 3.010 2.788 3.258 . 0 0 "[ . 1 . 2]" 1
826 1 64 GLY HA2 1 66 GLU HG2 4.350 . 5.850 5.826 5.597 5.922 0.072 1 0 "[ . 1 . 2]" 1
827 1 64 GLY H 1 64 GLY HA2 2.770 . 3.270 2.433 2.411 2.472 . 0 0 "[ . 1 . 2]" 1
828 1 64 GLY H 1 65 LEU MD2 4.410 . 4.910 4.010 3.729 4.126 . 0 0 "[ . 1 . 2]" 1
829 1 64 GLY H 1 65 LEU HG 3.870 . 4.370 3.187 2.847 3.458 . 0 0 "[ . 1 . 2]" 1
830 1 64 GLY H 1 65 LEU H 2.960 . 3.460 2.083 2.005 2.151 . 0 0 "[ . 1 . 2]" 1
831 1 65 LEU HA 1 65 LEU MD1 4.000 . 4.500 3.849 3.792 3.968 . 0 0 "[ . 1 . 2]" 1
832 1 65 LEU HA 1 65 LEU MD2 2.890 . 3.390 2.201 2.138 2.269 . 0 0 "[ . 1 . 2]" 1
833 1 65 LEU HA 1 66 GLU H 2.800 . 3.300 2.186 2.126 2.596 . 0 0 "[ . 1 . 2]" 1
834 1 65 LEU QB 1 65 LEU MD1 3.050 . 3.550 2.095 2.088 2.102 . 0 0 "[ . 1 . 2]" 1
835 1 65 LEU QB 1 66 GLU H 2.820 . 3.320 3.472 2.240 3.621 0.301 19 0 "[ . 1 . 2]" 1
836 1 65 LEU MD1 1 66 GLU H 4.740 . 5.240 5.341 4.263 5.453 0.213 19 0 "[ . 1 . 2]" 1
837 1 65 LEU MD1 1 73 ILE MG 3.520 . 4.020 3.535 3.033 3.904 . 0 0 "[ . 1 . 2]" 1
838 1 65 LEU MD2 1 66 GLU H 3.920 . 4.420 3.995 3.815 4.210 . 0 0 "[ . 1 . 2]" 1
839 1 65 LEU MD2 1 69 ILE MG 5.500 . 6.000 5.303 5.038 5.555 . 0 0 "[ . 1 . 2]" 1
840 1 65 LEU MD2 1 73 ILE MD 5.470 . 5.970 4.807 4.368 5.179 . 0 0 "[ . 1 . 2]" 1
841 1 65 LEU H 1 65 LEU QB 3.610 . 4.110 2.684 2.616 2.856 . 0 0 "[ . 1 . 2]" 1
842 1 65 LEU H 1 65 LEU MD1 4.150 . 4.650 3.679 3.524 3.819 . 0 0 "[ . 1 . 2]" 1
843 1 65 LEU H 1 65 LEU MD2 3.480 . 3.980 2.978 2.491 3.327 . 0 0 "[ . 1 . 2]" 1
844 1 65 LEU H 1 65 LEU HG 3.650 . 4.150 2.104 1.785 2.397 0.015 4 0 "[ . 1 . 2]" 1
845 1 65 LEU H 1 66 GLU H 4.660 . 5.160 4.222 4.012 4.569 . 0 0 "[ . 1 . 2]" 1
846 1 66 GLU HA 1 67 PRO HD2 4.890 . 5.390 2.334 2.301 2.393 . 0 0 "[ . 1 . 2]" 1
847 1 66 GLU HA 1 67 PRO HG2 4.610 . 5.110 4.506 4.475 4.557 . 0 0 "[ . 1 . 2]" 1
848 1 66 GLU HB2 1 69 ILE MD 4.020 . 4.520 2.456 2.259 3.086 . 0 0 "[ . 1 . 2]" 1
849 1 66 GLU HB2 1 69 ILE MG 3.240 . 3.740 3.111 2.205 3.768 0.028 7 0 "[ . 1 . 2]" 1
850 1 66 GLU HG2 1 67 PRO HD2 4.300 . 4.800 4.935 4.347 5.082 0.282 19 0 "[ . 1 . 2]" 1
851 1 66 GLU HG2 1 69 ILE MD 4.360 . 4.860 4.555 4.371 4.929 0.069 4 0 "[ . 1 . 2]" 1
852 1 66 GLU HG2 1 69 ILE MG 3.440 . 4.240 4.389 4.125 4.553 0.313 7 0 "[ . 1 . 2]" 1
853 1 66 GLU H 1 67 PRO QD 4.910 . 5.410 4.346 4.292 4.385 . 0 0 "[ . 1 . 2]" 1
854 1 66 GLU H 1 69 ILE HB 5.500 . 6.000 4.428 3.720 4.734 . 0 0 "[ . 1 . 2]" 1
855 1 66 GLU H 1 69 ILE MG 5.430 . 5.930 4.267 3.412 4.632 . 0 0 "[ . 1 . 2]" 1
856 1 67 PRO HA 1 68 GLY HA3 3.720 . 4.220 4.491 4.463 4.539 0.319 4 0 "[ . 1 . 2]" 1
857 1 67 PRO HA 1 68 GLY HA2 3.720 . 4.220 4.455 4.408 4.485 0.265 2 0 "[ . 1 . 2]" 1
858 1 67 PRO HA 1 68 GLY H 2.790 . 3.290 2.268 2.215 2.310 . 0 0 "[ . 1 . 2]" 1
859 1 67 PRO HA 1 69 ILE MD 5.460 . 5.960 4.287 3.902 5.304 . 0 0 "[ . 1 . 2]" 1
860 1 67 PRO HA 1 69 ILE H 4.640 . 5.140 3.168 3.117 3.306 . 0 0 "[ . 1 . 2]" 1
861 1 67 PRO HB3 1 68 GLY H 4.050 . 4.550 3.696 3.558 3.763 . 0 0 "[ . 1 . 2]" 1
862 1 67 PRO HB2 1 68 GLY QA 4.270 . 4.770 3.766 3.687 3.820 . 0 0 "[ . 1 . 2]" 1
863 1 67 PRO HB2 1 68 GLY HA3 5.130 . 5.630 4.030 3.896 4.083 . 0 0 "[ . 1 . 2]" 1
864 1 67 PRO HB2 1 68 GLY HA2 5.130 . 5.630 4.522 4.455 4.600 . 0 0 "[ . 1 . 2]" 1
865 1 67 PRO HB2 1 68 GLY H 3.630 . 4.130 2.937 2.743 3.088 . 0 0 "[ . 1 . 2]" 1
866 1 67 PRO QD 1 69 ILE MD 5.330 . 5.830 3.610 3.369 4.133 . 0 0 "[ . 1 . 2]" 1
867 1 67 PRO QG 1 69 ILE HB 5.500 . 6.000 5.742 5.058 5.999 . 0 0 "[ . 1 . 2]" 1
868 1 67 PRO HG2 1 68 GLY H 3.930 . 4.430 4.574 4.476 4.677 0.247 1 0 "[ . 1 . 2]" 1
869 1 68 GLY HA3 1 69 ILE MD 5.500 . 6.000 3.162 2.964 4.264 . 0 0 "[ . 1 . 2]" 1
870 1 68 GLY HA3 1 69 ILE H 3.650 . 4.150 3.315 3.178 3.485 . 0 0 "[ . 1 . 2]" 1
871 1 68 GLY HA2 1 69 ILE MD 5.500 . 6.000 4.152 3.973 4.992 . 0 0 "[ . 1 . 2]" 1
872 1 68 GLY HA2 1 69 ILE H 3.650 . 4.150 3.220 2.986 3.354 . 0 0 "[ . 1 . 2]" 1
873 1 68 GLY H 1 69 ILE HB 5.500 . 6.000 4.860 4.708 5.009 . 0 0 "[ . 1 . 2]" 1
874 1 68 GLY H 1 69 ILE MD 4.680 . 5.180 4.239 3.916 5.260 0.080 4 0 "[ . 1 . 2]" 1
875 1 68 GLY H 1 69 ILE H 3.350 . 3.850 2.664 2.528 2.826 . 0 0 "[ . 1 . 2]" 1
876 1 69 ILE HA 1 69 ILE MD 3.050 . 3.550 2.801 2.291 3.000 . 0 0 "[ . 1 . 2]" 1
877 1 69 ILE HA 1 69 ILE HG13 3.070 . 3.570 2.288 2.254 2.325 . 0 0 "[ . 1 . 2]" 1
878 1 69 ILE HA 1 69 ILE HG12 3.640 . 4.140 3.574 3.550 3.597 . 0 0 "[ . 1 . 2]" 1
879 1 69 ILE HA 1 69 ILE MG 2.950 . 3.450 2.622 2.502 3.053 . 0 0 "[ . 1 . 2]" 1
880 1 69 ILE HA 1 70 ASP HA 4.300 . 4.800 4.322 4.296 4.355 . 0 0 "[ . 1 . 2]" 1
881 1 69 ILE HA 1 70 ASP HB3 3.540 . 4.340 4.429 4.375 4.538 0.198 4 0 "[ . 1 . 2]" 1
882 1 69 ILE HA 1 70 ASP HB2 3.730 . 4.230 4.495 4.392 4.560 0.330 7 0 "[ . 1 . 2]" 1
883 1 69 ILE HA 1 70 ASP H 2.410 . 2.910 2.188 2.128 2.397 . 0 0 "[ . 1 . 2]" 1
884 1 69 ILE HB 1 69 ILE MD 2.950 . 3.450 2.228 2.176 2.317 . 0 0 "[ . 1 . 2]" 1
885 1 69 ILE HB 1 70 ASP H 4.390 . 4.890 4.116 4.007 4.209 . 0 0 "[ . 1 . 2]" 1
886 1 69 ILE MD 1 70 ASP H 4.080 . 4.580 4.516 3.746 4.697 0.117 5 0 "[ . 1 . 2]" 1
887 1 69 ILE HG13 1 70 ASP H 3.900 . 5.400 3.611 2.271 3.871 . 0 0 "[ . 1 . 2]" 1
888 1 69 ILE HG12 1 70 ASP H 5.020 . 5.520 4.632 3.647 4.851 . 0 0 "[ . 1 . 2]" 1
889 1 69 ILE HG13 1 69 ILE MG 2.850 . 3.350 2.556 2.457 2.614 . 0 0 "[ . 1 . 2]" 1
890 1 69 ILE HG12 1 69 ILE MG 2.880 . 3.380 2.155 2.119 2.235 . 0 0 "[ . 1 . 2]" 1
891 1 69 ILE MG 1 70 ASP HA 3.900 . 5.400 3.748 3.502 3.853 . 0 0 "[ . 1 . 2]" 1
892 1 69 ILE MG 1 70 ASP HB3 3.160 . 3.660 3.710 3.581 3.977 0.317 4 0 "[ . 1 . 2]" 1
893 1 69 ILE MG 1 70 ASP HB2 3.290 . 4.790 4.501 4.386 4.603 . 0 0 "[ . 1 . 2]" 1
894 1 69 ILE MG 1 70 ASP H 2.910 . 3.410 2.207 2.005 2.369 . 0 0 "[ . 1 . 2]" 1
895 1 69 ILE MG 1 71 TYR H 4.520 . 5.020 3.835 3.216 4.045 . 0 0 "[ . 1 . 2]" 1
896 1 69 ILE H 1 69 ILE HB 3.090 . 3.590 2.398 2.284 2.484 . 0 0 "[ . 1 . 2]" 1
897 1 69 ILE H 1 69 ILE MD 4.220 . 4.720 2.732 2.469 3.554 . 0 0 "[ . 1 . 2]" 1
898 1 69 ILE H 1 69 ILE HG13 4.730 . 5.230 4.123 4.007 4.576 . 0 0 "[ . 1 . 2]" 1
899 1 69 ILE H 1 69 ILE HG12 4.930 . 5.430 4.494 4.312 4.819 . 0 0 "[ . 1 . 2]" 1
900 1 69 ILE H 1 69 ILE MG 4.060 . 4.560 3.600 2.914 3.724 . 0 0 "[ . 1 . 2]" 1
901 1 69 ILE H 1 70 ASP H 4.440 . 4.940 4.463 4.424 4.517 . 0 0 "[ . 1 . 2]" 1
902 1 70 ASP HA 1 71 TYR H 2.510 . 3.010 2.147 2.128 2.203 . 0 0 "[ . 1 . 2]" 1
903 1 70 ASP QB 1 71 TYR H 3.610 . 4.110 3.885 3.792 3.988 . 0 0 "[ . 1 . 2]" 1
904 1 70 ASP HB3 1 71 TYR H 4.340 . 4.840 4.411 4.338 4.484 . 0 0 "[ . 1 . 2]" 1
905 1 70 ASP HB2 1 71 TYR H 4.340 . 4.840 4.314 4.185 4.469 . 0 0 "[ . 1 . 2]" 1
906 1 70 ASP H 1 70 ASP QB 2.760 . 3.260 2.212 2.173 2.279 . 0 0 "[ . 1 . 2]" 1
907 1 70 ASP H 1 71 TYR H 4.700 . 5.200 4.354 4.141 4.462 . 0 0 "[ . 1 . 2]" 1
908 1 71 TYR HA 1 72 ASP H 2.420 . 2.920 2.079 2.042 2.102 . 0 0 "[ . 1 . 2]" 1
909 1 71 TYR HA 1 73 ILE MD 4.130 . 4.630 4.108 3.851 4.168 . 0 0 "[ . 1 . 2]" 1
910 1 71 TYR HB3 1 73 ILE MD 4.240 . 4.740 2.654 2.251 2.821 . 0 0 "[ . 1 . 2]" 1
911 1 71 TYR HB2 1 72 ASP H 4.440 . 4.940 4.448 4.415 4.475 . 0 0 "[ . 1 . 2]" 1
912 1 71 TYR HB2 1 73 ILE MD 4.700 . 5.200 3.286 2.996 3.484 . 0 0 "[ . 1 . 2]" 1
913 1 71 TYR QD 1 73 ILE MD 3.730 . 4.230 4.121 3.674 4.310 0.080 10 0 "[ . 1 . 2]" 1
914 1 71 TYR QD 1 73 ILE MG 3.880 . 4.380 4.000 3.317 4.214 . 0 0 "[ . 1 . 2]" 1
915 1 71 TYR H 1 71 TYR HB3 3.870 . 4.370 3.541 3.512 3.572 . 0 0 "[ . 1 . 2]" 1
916 1 71 TYR H 1 71 TYR HB2 4.010 . 4.510 2.316 2.291 2.382 . 0 0 "[ . 1 . 2]" 1
917 1 71 TYR H 1 71 TYR QD 3.310 . 3.810 3.016 2.888 3.266 . 0 0 "[ . 1 . 2]" 1
918 1 71 TYR H 1 73 ILE MD 5.500 . 6.000 4.042 3.922 4.138 . 0 0 "[ . 1 . 2]" 1
919 1 72 ASP HA 1 72 ASP HB3 2.900 . 3.400 2.632 2.589 2.662 . 0 0 "[ . 1 . 2]" 1
920 1 72 ASP HA 1 73 ILE HA 4.960 . 5.460 4.421 4.412 4.442 . 0 0 "[ . 1 . 2]" 1
921 1 72 ASP HA 1 73 ILE MD 3.240 . 3.740 2.866 2.450 2.994 . 0 0 "[ . 1 . 2]" 1
922 1 72 ASP HA 1 73 ILE QG 4.280 . 4.780 3.709 3.628 4.047 . 0 0 "[ . 1 . 2]" 1
923 1 72 ASP HA 1 73 ILE MG 4.240 . 4.740 4.409 4.182 4.495 . 0 0 "[ . 1 . 2]" 1
924 1 72 ASP HA 1 73 ILE H 2.550 . 3.050 2.147 2.130 2.183 . 0 0 "[ . 1 . 2]" 1
925 1 72 ASP HB3 1 73 ILE HA 5.080 . 5.580 4.529 4.487 4.570 . 0 0 "[ . 1 . 2]" 1
926 1 72 ASP HB3 1 73 ILE H 3.930 . 4.430 3.616 3.534 3.734 . 0 0 "[ . 1 . 2]" 1
927 1 72 ASP HB2 1 73 ILE HA 5.200 . 5.700 5.154 5.084 5.208 . 0 0 "[ . 1 . 2]" 1
928 1 72 ASP HB2 1 73 ILE H 4.530 . 5.030 4.469 4.418 4.524 . 0 0 "[ . 1 . 2]" 1
929 1 72 ASP H 1 72 ASP HB3 3.760 . 4.260 3.513 3.473 3.553 . 0 0 "[ . 1 . 2]" 1
930 1 72 ASP H 1 72 ASP HB2 3.240 . 3.740 2.221 2.167 2.279 . 0 0 "[ . 1 . 2]" 1
931 1 72 ASP H 1 73 ILE MD 3.180 . 3.680 3.754 3.526 3.803 0.123 3 0 "[ . 1 . 2]" 1
932 1 72 ASP H 1 73 ILE MG 3.080 . 4.580 4.617 4.058 4.719 0.139 11 0 "[ . 1 . 2]" 1
933 1 72 ASP H 1 73 ILE H 4.830 . 5.330 4.401 4.330 4.444 . 0 0 "[ . 1 . 2]" 1
934 1 73 ILE HA 1 73 ILE MD 4.280 . 4.780 3.188 3.139 3.351 . 0 0 "[ . 1 . 2]" 1
935 1 73 ILE HA 1 73 ILE MG 2.980 . 3.480 2.224 2.204 2.276 . 0 0 "[ . 1 . 2]" 1
936 1 73 ILE HA 1 74 SER HA 5.500 . 6.000 4.500 4.449 4.517 . 0 0 "[ . 1 . 2]" 1
937 1 73 ILE HA 1 74 SER QB 4.740 . 5.240 4.261 3.848 4.597 . 0 0 "[ . 1 . 2]" 1
938 1 73 ILE HA 1 74 SER HB3 5.500 . 6.000 4.826 4.364 5.517 . 0 0 "[ . 1 . 2]" 1
939 1 73 ILE HA 1 74 SER HB2 5.500 . 6.000 4.878 4.193 5.559 . 0 0 "[ . 1 . 2]" 1
940 1 73 ILE HA 1 74 SER H 2.490 . 2.990 2.376 2.211 2.411 . 0 0 "[ . 1 . 2]" 1
941 1 73 ILE HB 1 73 ILE MD 3.220 . 3.720 3.181 3.161 3.221 . 0 0 "[ . 1 . 2]" 1
942 1 73 ILE HB 1 74 SER H 4.360 . 4.860 2.533 2.374 3.775 . 0 0 "[ . 1 . 2]" 1
943 1 73 ILE MD 1 73 ILE MG 2.400 . 2.900 1.825 1.804 1.863 . 0 0 "[ . 1 . 2]" 1
944 1 73 ILE QG 1 73 ILE MG 3.150 . 3.650 2.460 2.354 2.494 . 0 0 "[ . 1 . 2]" 1
945 1 73 ILE MG 1 74 SER HA 5.500 . 6.000 5.191 5.151 5.521 . 0 0 "[ . 1 . 2]" 1
946 1 73 ILE H 1 73 ILE HB 4.180 . 4.680 3.578 3.537 3.657 . 0 0 "[ . 1 . 2]" 1
947 1 73 ILE H 1 73 ILE MD 3.690 . 4.190 2.188 1.753 2.300 0.047 5 0 "[ . 1 . 2]" 1
948 1 73 ILE H 1 73 ILE QG 3.060 . 3.560 1.885 1.811 2.239 . 0 0 "[ . 1 . 2]" 1
949 1 73 ILE H 1 73 ILE MG 3.300 . 3.800 3.328 3.203 3.370 . 0 0 "[ . 1 . 2]" 1
950 1 74 SER HA 1 75 VAL HA 5.230 . 5.730 4.435 4.404 4.468 . 0 0 "[ . 1 . 2]" 1
951 1 74 SER HA 1 75 VAL HB 5.460 . 5.960 4.687 4.350 4.988 . 0 0 "[ . 1 . 2]" 1
952 1 74 SER HA 1 75 VAL QG 3.790 . 4.290 3.436 3.028 3.703 . 0 0 "[ . 1 . 2]" 1
953 1 74 SER HA 1 75 VAL H 2.740 . 3.240 2.187 2.118 2.296 . 0 0 "[ . 1 . 2]" 1
954 1 74 SER QB 1 75 VAL H 3.610 . 4.110 3.353 2.721 3.867 . 0 0 "[ . 1 . 2]" 1
955 1 74 SER HB3 1 75 VAL H 4.430 . 4.930 3.846 2.830 4.311 . 0 0 "[ . 1 . 2]" 1
956 1 74 SER HB2 1 75 VAL H 4.430 . 4.930 3.810 2.784 4.372 . 0 0 "[ . 1 . 2]" 1
957 1 74 SER H 1 74 SER QB 3.220 . 3.720 3.047 2.278 3.345 . 0 0 "[ . 1 . 2]" 1
958 1 74 SER H 1 74 SER HB3 4.030 . 4.530 3.499 2.364 4.013 . 0 0 "[ . 1 . 2]" 1
959 1 74 SER H 1 74 SER HB2 4.030 . 4.530 3.464 2.984 3.892 . 0 0 "[ . 1 . 2]" 1
960 1 74 SER H 1 75 VAL HA 5.110 . 5.610 4.603 4.445 5.000 . 0 0 "[ . 1 . 2]" 1
961 1 74 SER H 1 75 VAL H 5.000 . 5.500 4.143 3.971 4.397 . 0 0 "[ . 1 . 2]" 1
962 1 75 VAL HA 1 76 ILE HB 4.350 . 4.850 4.610 4.476 4.862 0.012 8 0 "[ . 1 . 2]" 1
963 1 75 VAL HA 1 76 ILE H 2.880 . 3.380 2.190 2.150 2.223 . 0 0 "[ . 1 . 2]" 1
964 1 75 VAL QG 1 76 ILE H 3.780 . 4.280 3.034 2.391 3.276 . 0 0 "[ . 1 . 2]" 1
965 1 75 VAL QG 1 77 THR HA 5.070 . 5.570 4.350 3.817 4.727 . 0 0 "[ . 1 . 2]" 1
966 1 75 VAL H 1 75 VAL HB 3.510 . 4.010 2.697 2.433 3.325 . 0 0 "[ . 1 . 2]" 1
967 1 75 VAL H 1 75 VAL QG 3.200 . 3.700 2.343 1.867 2.901 . 0 0 "[ . 1 . 2]" 1
968 1 75 VAL H 1 75 VAL MG1 4.490 . 4.990 3.641 1.871 3.944 . 0 0 "[ . 1 . 2]" 1
969 1 75 VAL H 1 75 VAL MG2 4.490 . 4.990 2.564 2.045 3.865 . 0 0 "[ . 1 . 2]" 1
970 1 76 ILE HA 1 76 ILE HG13 3.190 . 3.690 2.873 2.803 3.153 . 0 0 "[ . 1 . 2]" 1
971 1 76 ILE HA 1 76 ILE HG12 3.260 . 3.760 2.556 2.492 2.641 . 0 0 "[ . 1 . 2]" 1
972 1 76 ILE HA 1 77 THR H 2.670 . 3.170 2.153 2.132 2.195 . 0 0 "[ . 1 . 2]" 1
973 1 76 ILE HB 1 76 ILE HG13 2.840 . 3.340 2.538 2.497 2.561 . 0 0 "[ . 1 . 2]" 1
974 1 76 ILE HB 1 77 THR H 5.460 . 5.960 4.238 3.871 4.478 . 0 0 "[ . 1 . 2]" 1
975 1 76 ILE MD 1 77 THR H 5.180 . 5.680 5.127 4.926 5.391 . 0 0 "[ . 1 . 2]" 1
976 1 76 ILE HG13 1 77 THR H 4.380 . 4.880 4.933 4.897 5.066 0.186 8 0 "[ . 1 . 2]" 1
977 1 76 ILE HG12 1 77 THR H 4.100 . 4.600 4.374 4.225 4.561 . 0 0 "[ . 1 . 2]" 1
978 1 76 ILE HG12 1 76 ILE MG 2.630 . 3.130 2.322 2.234 2.359 . 0 0 "[ . 1 . 2]" 1
979 1 76 ILE MG 1 77 THR HA 3.300 . 3.800 3.800 3.661 4.051 0.251 11 0 "[ . 1 . 2]" 1
980 1 76 ILE MG 1 77 THR H 3.110 . 3.610 2.660 2.238 3.230 . 0 0 "[ . 1 . 2]" 1
981 1 76 ILE H 1 76 ILE HB 3.280 . 3.780 2.490 2.409 2.675 . 0 0 "[ . 1 . 2]" 1
982 1 76 ILE H 1 76 ILE MD 3.930 . 4.430 3.645 3.480 4.090 . 0 0 "[ . 1 . 2]" 1
983 1 76 ILE H 1 76 ILE HG13 3.800 . 4.300 2.555 2.243 3.025 . 0 0 "[ . 1 . 2]" 1
984 1 76 ILE H 1 76 ILE HG12 4.870 . 5.370 3.834 3.485 4.163 . 0 0 "[ . 1 . 2]" 1
985 1 76 ILE H 1 76 ILE MG 4.100 . 4.600 3.781 3.755 3.856 . 0 0 "[ . 1 . 2]" 1
986 1 76 ILE H 1 77 THR H 5.500 . 6.000 4.438 4.190 4.560 . 0 0 "[ . 1 . 2]" 1
987 1 77 THR HA 1 77 THR MG 3.050 . 3.550 2.429 2.253 3.205 . 0 0 "[ . 1 . 2]" 1
988 1 77 THR HA 1 78 LEU H 2.800 . 3.300 2.139 2.114 2.157 . 0 0 "[ . 1 . 2]" 1
989 1 77 THR MG 1 78 LEU H 3.420 . 3.920 3.458 2.810 4.268 0.348 1 0 "[ . 1 . 2]" 1
990 1 78 LEU HA 1 78 LEU QD 3.410 . 3.910 2.238 1.951 3.031 . 0 0 "[ . 1 . 2]" 1
991 1 78 LEU HA 1 79 ILE H 2.400 . 2.900 2.135 2.116 2.166 . 0 0 "[ . 1 . 2]" 1
992 1 78 LEU HB3 1 78 LEU QD 2.430 . 2.930 2.187 2.068 2.327 . 0 0 "[ . 1 . 2]" 1
993 1 78 LEU HB3 1 79 ILE H 3.980 . 4.480 3.995 3.385 4.280 . 0 0 "[ . 1 . 2]" 1
994 1 78 LEU H 1 78 LEU HB3 3.780 . 4.280 3.047 2.602 3.775 . 0 0 "[ . 1 . 2]" 1
995 1 78 LEU H 1 78 LEU QD 3.930 . 4.430 3.637 2.428 3.935 . 0 0 "[ . 1 . 2]" 1
996 1 79 ILE HA 1 79 ILE MD 3.820 . 4.320 3.612 3.434 3.708 . 0 0 "[ . 1 . 2]" 1
997 1 79 ILE HA 1 79 ILE MG 2.630 . 3.130 2.350 2.213 2.494 . 0 0 "[ . 1 . 2]" 1
998 1 79 ILE HA 1 80 ASN HB3 5.130 . 5.630 4.758 4.677 4.865 . 0 0 "[ . 1 . 2]" 1
999 1 79 ILE HA 1 80 ASN HB2 4.910 . 5.410 4.549 4.399 4.742 . 0 0 "[ . 1 . 2]" 1
1000 1 79 ILE HA 1 80 ASN H 2.550 . 3.050 2.260 2.169 2.468 . 0 0 "[ . 1 . 2]" 1
1001 1 79 ILE HB 1 79 ILE MD 2.500 . 3.000 2.199 2.158 2.311 . 0 0 "[ . 1 . 2]" 1
1002 1 79 ILE HB 1 79 ILE HG12 2.770 . 3.270 2.724 2.463 2.776 . 0 0 "[ . 1 . 2]" 1
1003 1 79 ILE HB 1 80 ASN HB3 4.460 . 4.960 4.684 4.077 5.038 0.078 6 0 "[ . 1 . 2]" 1
1004 1 79 ILE HB 1 80 ASN HB2 4.810 . 5.310 5.335 4.922 5.482 0.172 6 0 "[ . 1 . 2]" 1
1005 1 79 ILE HB 1 80 ASN H 2.810 . 3.310 2.878 2.360 3.169 . 0 0 "[ . 1 . 2]" 1
1006 1 79 ILE MD 1 80 ASN HA 4.030 . 4.530 3.924 3.694 4.075 . 0 0 "[ . 1 . 2]" 1
1007 1 79 ILE MD 1 80 ASN HB3 3.580 . 4.080 4.158 3.907 4.313 0.233 15 0 "[ . 1 . 2]" 1
1008 1 79 ILE MD 1 80 ASN H 2.740 . 3.240 3.280 3.082 3.386 0.146 19 0 "[ . 1 . 2]" 1
1009 1 79 ILE MD 1 81 GLY QA 3.520 . 4.020 2.142 2.047 2.248 . 0 0 "[ . 1 . 2]" 1
1010 1 79 ILE MD 1 81 GLY H 4.860 . 5.360 2.328 2.097 2.573 . 0 0 "[ . 1 . 2]" 1
1011 1 79 ILE HG12 1 80 ASN H 4.820 . 5.320 5.169 4.720 5.348 0.028 19 0 "[ . 1 . 2]" 1
1012 1 79 ILE HG12 1 79 ILE MG 2.780 . 3.280 2.204 2.145 2.326 . 0 0 "[ . 1 . 2]" 1
1013 1 79 ILE H 1 79 ILE HB 3.940 . 4.440 3.899 3.736 3.961 . 0 0 "[ . 1 . 2]" 1
1014 1 79 ILE H 1 79 ILE MD 3.600 . 4.100 3.545 2.064 3.776 . 0 0 "[ . 1 . 2]" 1
1015 1 79 ILE H 1 79 ILE HG13 3.040 . 4.540 2.255 2.085 2.449 . 0 0 "[ . 1 . 2]" 1
1016 1 79 ILE H 1 79 ILE HG12 3.650 . 4.150 3.652 3.429 3.884 . 0 0 "[ . 1 . 2]" 1
1017 1 79 ILE H 1 79 ILE MG 3.310 . 3.810 2.937 2.691 3.235 . 0 0 "[ . 1 . 2]" 1
1018 1 79 ILE H 1 80 ASN H 4.450 . 4.950 4.352 4.241 4.451 . 0 0 "[ . 1 . 2]" 1
1019 1 79 ILE H 1 81 GLY H 5.500 . 6.000 5.751 5.167 6.074 0.074 19 0 "[ . 1 . 2]" 1
1020 1 80 ASN HA 1 80 ASN HB2 2.660 . 3.160 2.457 2.404 2.521 . 0 0 "[ . 1 . 2]" 1
1021 1 80 ASN HA 1 81 GLY HA3 4.330 . 4.830 4.677 4.592 4.968 0.138 19 0 "[ . 1 . 2]" 1
1022 1 80 ASN HA 1 81 GLY H 3.140 . 3.640 3.564 3.547 3.580 . 0 0 "[ . 1 . 2]" 1
1023 1 80 ASN HB3 1 81 GLY QA 5.130 . 5.630 4.088 3.790 4.233 . 0 0 "[ . 1 . 2]" 1
1024 1 80 ASN HB3 1 81 GLY H 4.490 . 4.990 2.325 1.929 2.563 . 0 0 "[ . 1 . 2]" 1
1025 1 80 ASN HB2 1 81 GLY QA 5.470 . 5.970 5.264 5.129 5.346 . 0 0 "[ . 1 . 2]" 1
1026 1 80 ASN HB2 1 81 GLY H 4.500 . 5.000 3.730 3.490 3.913 . 0 0 "[ . 1 . 2]" 1
1027 1 80 ASN H 1 80 ASN HB3 3.020 . 3.520 2.510 2.383 2.627 . 0 0 "[ . 1 . 2]" 1
1028 1 80 ASN H 1 80 ASN HB2 2.870 . 3.370 2.531 2.425 2.649 . 0 0 "[ . 1 . 2]" 1
1029 1 81 GLY QA 1 82 GLY H 3.010 . 3.510 2.269 2.119 2.925 . 0 0 "[ . 1 . 2]" 1
1030 1 82 GLY QA 1 83 GLU HA 4.070 . 4.570 4.010 3.969 4.070 . 0 0 "[ . 1 . 2]" 1
1031 1 82 GLY QA 1 83 GLU QB 4.310 . 4.810 4.177 4.122 4.336 . 0 0 "[ . 1 . 2]" 1
1032 1 82 GLY QA 1 83 GLU QG 3.980 . 4.480 3.783 3.513 4.501 0.021 13 0 "[ . 1 . 2]" 1
1033 1 82 GLY QA 1 83 GLU H 2.400 . 2.900 2.226 2.124 2.297 . 0 0 "[ . 1 . 2]" 1
1034 1 82 GLY H 1 82 GLY QA 2.520 . 3.020 2.232 2.195 2.282 . 0 0 "[ . 1 . 2]" 1
1035 1 83 GLU HA 1 83 GLU QB 2.520 . 3.020 2.352 2.184 2.405 . 0 0 "[ . 1 . 2]" 1
1036 1 83 GLU HA 1 83 GLU QG 3.380 . 3.880 2.554 2.270 3.441 . 0 0 "[ . 1 . 2]" 1
1037 1 83 GLU HA 1 84 SER HB3 5.500 . 6.000 4.999 4.477 5.808 . 0 0 "[ . 1 . 2]" 1
1038 1 83 GLU HA 1 84 SER HB2 5.500 . 6.000 5.016 4.467 5.765 . 0 0 "[ . 1 . 2]" 1
1039 1 83 GLU HA 1 84 SER H 2.950 . 3.450 2.225 2.141 2.419 . 0 0 "[ . 1 . 2]" 1
1040 1 83 GLU QB 1 84 SER H 4.270 . 4.770 2.997 2.367 3.821 . 0 0 "[ . 1 . 2]" 1
1041 1 83 GLU H 1 83 GLU QB 3.320 . 3.820 2.436 2.355 2.698 . 0 0 "[ . 1 . 2]" 1
1042 1 83 GLU H 1 83 GLU QG 3.990 . 4.490 2.424 1.843 3.248 . 0 0 "[ . 1 . 2]" 1
1043 1 83 GLU H 1 84 SER HA 4.220 . 5.720 5.471 5.152 5.838 0.118 14 0 "[ . 1 . 2]" 1
1044 1 84 SER HA 1 85 ALA H 2.710 . 3.210 2.266 2.136 2.448 . 0 0 "[ . 1 . 2]" 1
1045 1 84 SER H 1 84 SER QB 3.570 . 4.070 2.405 2.247 2.710 . 0 0 "[ . 1 . 2]" 1
1046 1 85 ALA H 1 85 ALA MB 2.900 . 3.400 2.742 2.058 2.955 . 0 0 "[ . 1 . 2]" 1
1047 1 86 PRO HA 1 87 THR HB 4.820 . 5.320 5.076 4.473 5.609 0.289 7 0 "[ . 1 . 2]" 1
1048 1 86 PRO HA 1 87 THR H 2.780 . 3.280 2.607 2.179 3.523 0.243 14 0 "[ . 1 . 2]" 1
1049 1 87 THR HA 1 87 THR MG 2.860 . 3.360 2.689 2.264 3.200 . 0 0 "[ . 1 . 2]" 1
1050 1 87 THR HA 1 88 THR H 3.180 . 3.680 2.215 2.128 2.442 . 0 0 "[ . 1 . 2]" 1
1051 1 87 THR HB 1 88 THR H 3.980 . 4.480 3.817 2.493 4.304 . 0 0 "[ . 1 . 2]" 1
1052 1 87 THR MG 1 88 THR HA 4.990 . 5.490 4.226 3.442 5.478 . 0 0 "[ . 1 . 2]" 1
1053 1 87 THR MG 1 88 THR H 5.500 . 6.000 3.416 2.173 4.231 . 0 0 "[ . 1 . 2]" 1
1054 1 87 THR H 1 87 THR HB 3.580 . 4.080 3.074 2.466 3.832 . 0 0 "[ . 1 . 2]" 1
1055 1 87 THR H 1 87 THR MG 4.140 . 4.640 2.788 1.789 3.944 0.011 3 0 "[ . 1 . 2]" 1
1056 1 88 THR HA 1 88 THR MG 3.010 . 3.510 2.325 2.204 2.496 . 0 0 "[ . 1 . 2]" 1
1057 1 88 THR HA 1 89 LEU QB 4.180 . 4.680 4.390 4.202 4.634 . 0 0 "[ . 1 . 2]" 1
1058 1 88 THR HA 1 89 LEU H 2.880 . 3.380 2.343 2.133 2.635 . 0 0 "[ . 1 . 2]" 1
1059 1 88 THR HB 1 89 LEU HA 4.660 . 5.160 4.867 4.475 5.180 0.020 11 0 "[ . 1 . 2]" 1
1060 1 88 THR HB 1 89 LEU MD1 4.350 . 5.350 4.800 3.346 5.639 0.289 1 0 "[ . 1 . 2]" 1
1061 1 88 THR HB 1 89 LEU H 3.630 . 4.130 2.985 1.943 4.179 0.049 6 0 "[ . 1 . 2]" 1
1062 1 88 THR HB 1 90 THR MG 5.750 . 6.250 5.635 4.527 6.319 0.069 2 0 "[ . 1 . 2]" 1
1063 1 88 THR MG 1 89 LEU HA 5.500 . 6.000 5.070 3.800 5.676 . 0 0 "[ . 1 . 2]" 1
1064 1 89 LEU HA 1 89 LEU QD 3.080 . 3.580 2.521 1.997 3.443 . 0 0 "[ . 1 . 2]" 1
1065 1 89 LEU HA 1 90 THR MG 3.290 . 3.790 3.541 3.387 3.841 0.051 2 0 "[ . 1 . 2]" 1
1066 1 89 LEU HA 1 90 THR H 3.050 . 3.550 2.208 2.138 2.503 . 0 0 "[ . 1 . 2]" 1
1067 1 89 LEU QB 1 90 THR H 4.210 . 4.710 3.061 2.191 3.783 . 0 0 "[ . 1 . 2]" 1
1068 1 89 LEU H 1 89 LEU QB 3.370 . 3.870 2.338 2.243 2.948 . 0 0 "[ . 1 . 2]" 1
1069 1 90 THR HA 1 91 GLN H 4.330 . 4.830 2.283 2.144 2.451 . 0 0 "[ . 1 . 2]" 1
1070 1 90 THR MG 1 91 GLN H 5.040 . 5.540 3.883 3.696 4.137 . 0 0 "[ . 1 . 2]" 1
1071 1 90 THR H 1 91 GLN H 4.130 . 4.630 4.580 4.455 4.631 0.001 6 0 "[ . 1 . 2]" 1
1072 1 91 GLN HA 1 92 GLN H 3.260 . 3.760 2.188 2.136 2.356 . 0 0 "[ . 1 . 2]" 1
1073 1 92 GLN HA 1 93 THR H 4.240 . 4.740 2.725 2.145 3.549 . 0 0 "[ . 1 . 2]" 1
1074 2 2 SER HA 2 3 SER H 3.680 . 4.180 2.253 2.173 2.360 . 0 0 "[ . 1 . 2]" 1
1075 2 3 SER H 2 3 SER HB3 3.810 . 4.310 3.036 2.212 3.710 . 0 0 "[ . 1 . 2]" 1
1076 2 4 PRO HA 2 4 PRO HG3 3.650 . 4.000 3.730 3.025 4.031 0.031 12 0 "[ . 1 . 2]" 1
1077 2 4 PRO HA 2 5 ILE H 4.340 . 4.840 3.496 3.248 3.585 . 0 0 "[ . 1 . 2]" 1
1078 2 4 PRO HB3 2 4 PRO HD3 4.030 . 4.380 3.329 2.951 4.047 . 0 0 "[ . 1 . 2]" 1
1079 2 4 PRO HB3 2 5 ILE H 3.330 . 4.830 4.057 3.641 4.577 . 0 0 "[ . 1 . 2]" 1
1080 2 4 PRO HB2 2 4 PRO HD3 4.190 . 4.690 3.955 3.884 4.041 . 0 0 "[ . 1 . 2]" 1
1081 2 4 PRO HB2 2 5 ILE H 3.540 . 4.040 3.053 2.130 4.106 0.066 11 0 "[ . 1 . 2]" 1
1082 2 4 PRO HA 2 4 PRO HD3 3.890 . 4.390 3.575 3.294 3.805 . 0 0 "[ . 1 . 2]" 1
1083 2 4 PRO HD3 2 5 ILE H 3.710 . 4.210 4.039 3.752 4.290 0.080 1 0 "[ . 1 . 2]" 1
1084 2 4 PRO HG3 2 5 ILE H 3.120 . 5.620 4.183 3.481 4.776 . 0 0 "[ . 1 . 2]" 1
1085 2 4 PRO HA 2 4 PRO HG2 3.450 . 3.950 3.903 3.865 3.957 0.007 6 0 "[ . 1 . 2]" 1
1086 2 4 PRO HG2 2 5 ILE H 3.350 . 3.850 2.959 1.878 4.080 0.230 19 0 "[ . 1 . 2]" 1
1087 2 5 ILE HA 2 5 ILE MD 3.330 . 3.830 3.416 2.107 3.780 . 0 0 "[ . 1 . 2]" 1
1088 2 5 ILE HA 2 5 ILE HG13 4.130 . 4.630 3.116 2.379 3.606 . 0 0 "[ . 1 . 2]" 1
1089 2 5 ILE HA 2 5 ILE HG12 3.890 . 4.390 2.941 2.538 3.678 . 0 0 "[ . 1 . 2]" 1
1090 2 5 ILE HA 2 6 GLN H 4.060 . 4.560 2.248 2.162 2.369 . 0 0 "[ . 1 . 2]" 1
1091 2 5 ILE HB 2 6 GLN H 3.220 . 3.720 3.909 3.792 4.123 0.403 5 0 "[ . 1 . 2]" 1
1092 2 5 ILE MD 2 6 GLN H 3.200 . 3.700 3.219 2.075 3.955 0.255 7 0 "[ . 1 . 2]" 1
1093 2 5 ILE HG13 2 6 GLN H 3.300 . 4.800 3.044 1.953 3.835 . 0 0 "[ . 1 . 2]" 1
1094 2 5 ILE HG12 2 6 GLN H 3.350 . 3.850 2.452 1.978 3.925 0.075 11 0 "[ . 1 . 2]" 1
1095 2 5 ILE MG 2 6 GLN H 3.530 . 4.030 3.825 3.410 4.048 0.018 7 0 "[ . 1 . 2]" 1
1096 2 5 ILE H 2 5 ILE HB 3.850 . 4.350 3.383 2.863 3.558 . 0 0 "[ . 1 . 2]" 1
1097 2 5 ILE H 2 5 ILE MD 3.070 . 4.570 4.172 3.761 4.792 0.222 8 0 "[ . 1 . 2]" 1
1098 2 5 ILE H 2 5 ILE HG13 3.420 . 4.920 4.885 4.492 5.117 0.197 9 0 "[ . 1 . 2]" 1
1099 2 5 ILE H 2 5 ILE HG12 3.250 . 4.750 4.580 4.211 5.069 0.319 13 0 "[ . 1 . 2]" 1
1100 2 5 ILE H 2 5 ILE MG 3.800 . 4.300 2.250 1.863 2.360 . 0 0 "[ . 1 . 2]" 1
1101 2 6 GLN HA 2 6 GLN HG3 4.260 . 4.760 3.386 2.345 4.248 . 0 0 "[ . 1 . 2]" 1
1102 2 6 GLN HA 2 7 GLY HA3 3.360 . 4.860 4.477 4.350 4.662 . 0 0 "[ . 1 . 2]" 1
1103 2 6 GLN HE22 2 6 GLN HG3 3.740 . 4.240 3.731 3.500 4.110 . 0 0 "[ . 1 . 2]" 1
1104 2 6 GLN H 2 6 GLN HB3 3.620 . 4.120 3.469 2.765 3.944 . 0 0 "[ . 1 . 2]" 1
1105 2 6 GLN H 2 6 GLN HG3 3.820 . 4.320 3.454 2.798 4.708 0.388 4 0 "[ . 1 . 2]" 1
1106 2 7 GLY HA3 2 8 SER H 4.500 . 5.000 2.185 2.130 2.341 . 0 0 "[ . 1 . 2]" 1
1107 2 7 GLY HA2 2 8 SER H 3.650 . 4.150 3.066 2.808 3.200 . 0 0 "[ . 1 . 2]" 1
1108 2 8 SER HA 2 9 TRP HD1 3.490 . 3.990 3.540 3.336 3.688 . 0 0 "[ . 1 . 2]" 1
1109 2 8 SER HA 2 9 TRP H . . 3.100 2.471 2.426 2.492 . 0 0 "[ . 1 . 2]" 1
1110 2 8 SER HB3 2 9 TRP H . . 3.800 3.672 3.595 3.762 . 0 0 "[ . 1 . 2]" 1
1111 2 8 SER HB2 2 9 TRP HD1 3.110 . 4.610 4.528 4.289 4.716 0.106 9 0 "[ . 1 . 2]" 1
1112 2 8 SER HB2 2 9 TRP H . . 3.500 2.284 2.230 2.386 . 0 0 "[ . 1 . 2]" 1
1113 2 8 SER H 2 8 SER HB3 3.490 . 3.990 3.490 3.412 3.566 . 0 0 "[ . 1 . 2]" 1
1114 2 8 SER H 2 8 SER HB2 3.680 . 4.000 3.993 3.960 4.034 0.034 10 0 "[ . 1 . 2]" 1
1115 2 9 TRP HA 2 9 TRP HD1 . . 3.700 3.847 3.726 3.928 0.228 12 0 "[ . 1 . 2]" 1
1116 2 9 TRP HA 2 10 THR H . . 3.600 2.248 2.165 2.333 . 0 0 "[ . 1 . 2]" 1
1117 2 9 TRP HB3 2 9 TRP HD1 3.530 . 4.030 3.813 3.788 3.837 . 0 0 "[ . 1 . 2]" 1
1118 2 9 TRP H 2 9 TRP HB3 3.520 . 4.020 3.594 3.561 3.617 . 0 0 "[ . 1 . 2]" 1
1119 2 10 THR HA 2 10 THR MG . . 3.700 2.349 2.269 2.445 . 0 0 "[ . 1 . 2]" 1
1120 2 10 THR HA 2 11 TRP H . . 3.400 2.168 2.153 2.206 . 0 0 "[ . 1 . 2]" 1
1121 2 10 THR HB 2 11 TRP H . . 3.800 3.223 3.034 3.318 . 0 0 "[ . 1 . 2]" 1
1122 2 10 THR H 2 10 THR HB 3.520 . 4.020 3.784 3.702 3.861 . 0 0 "[ . 1 . 2]" 1
1123 2 11 TRP HB3 2 11 TRP HD1 3.370 . 3.870 2.534 2.524 2.561 . 0 0 "[ . 1 . 2]" 1
1124 2 11 TRP H 2 11 TRP HB3 . . 3.800 2.358 2.320 2.386 . 0 0 "[ . 1 . 2]" 1
1125 2 12 GLU HA 2 12 GLU HG3 4.020 . 4.520 3.473 2.870 3.575 . 0 0 "[ . 1 . 2]" 1
1126 2 12 GLU HA 2 12 GLU HG2 3.840 . 4.340 3.683 3.635 3.703 . 0 0 "[ . 1 . 2]" 1
1127 2 12 GLU HG3 2 13 ASN HB3 3.320 . 3.820 3.966 3.902 4.274 0.454 13 0 "[ . 1 . 2]" 1
1128 2 12 GLU HG2 2 13 ASN HA 3.120 . 4.620 4.722 4.284 4.790 0.170 19 0 "[ . 1 . 2]" 1
1129 2 12 GLU HG2 2 13 ASN HB3 3.630 . 4.130 4.326 4.064 4.397 0.267 19 0 "[ . 1 . 2]" 1
1130 2 12 GLU HG2 2 13 ASN HB2 3.770 . 4.270 2.633 2.585 2.842 . 0 0 "[ . 1 . 2]" 1
1131 2 12 GLU H 2 12 GLU HB3 3.370 . 3.870 3.085 2.884 3.166 . 0 0 "[ . 1 . 2]" 1
1132 2 12 GLU H 2 12 GLU HB2 3.590 . 4.090 4.013 3.766 4.069 . 0 0 "[ . 1 . 2]" 1
1133 2 13 ASN HA 2 14 GLY H 3.700 . 4.200 2.892 2.788 2.981 . 0 0 "[ . 1 . 2]" 1
1134 2 13 ASN HB3 2 13 ASN HD21 3.430 . 3.930 2.822 2.670 2.942 . 0 0 "[ . 1 . 2]" 1
1135 2 13 ASN HB3 2 13 ASN HD22 3.150 . 3.650 3.732 3.677 3.770 0.120 13 0 "[ . 1 . 2]" 1
1136 2 13 ASN HB2 2 13 ASN HD22 3.570 . 4.070 3.876 3.583 4.108 0.038 7 0 "[ . 1 . 2]" 1
1137 2 14 GLY HA2 2 15 LYS H 3.170 . 3.670 3.151 3.042 3.414 . 0 0 "[ . 1 . 2]" 1
1138 2 15 LYS HA 2 15 LYS HG3 3.650 . 4.150 3.155 3.062 3.387 . 0 0 "[ . 1 . 2]" 1
1139 2 15 LYS HA 2 15 LYS HG2 3.590 . 4.090 2.358 2.293 2.434 . 0 0 "[ . 1 . 2]" 1
1140 2 15 LYS HA 2 16 TRP H . . 3.700 2.272 2.250 2.332 . 0 0 "[ . 1 . 2]" 1
1141 2 15 LYS HB3 2 15 LYS HE3 4.590 . 5.090 3.868 2.750 4.791 . 0 0 "[ . 1 . 2]" 1
1142 2 15 LYS HB3 2 15 LYS HE2 4.520 . 5.020 3.857 2.283 4.590 . 0 0 "[ . 1 . 2]" 1
1143 2 15 LYS HB2 2 15 LYS HE2 3.490 . 4.490 3.758 2.791 4.501 0.011 10 0 "[ . 1 . 2]" 1
1144 2 15 LYS HB2 2 16 TRP H 3.470 . 3.970 3.885 3.734 3.935 . 0 0 "[ . 1 . 2]" 1
1145 2 15 LYS HE3 2 15 LYS HG3 3.940 . 4.440 3.206 2.324 3.735 . 0 0 "[ . 1 . 2]" 1
1146 2 15 LYS HE3 2 15 LYS HG2 3.860 . 4.360 3.450 2.293 3.848 . 0 0 "[ . 1 . 2]" 1
1147 2 15 LYS H 2 15 LYS HB3 3.390 . 3.890 3.850 3.768 3.892 0.002 18 0 "[ . 1 . 2]" 1
1148 2 15 LYS H 2 15 LYS HB2 3.120 . 3.620 2.764 2.619 2.833 . 0 0 "[ . 1 . 2]" 1
1149 2 15 LYS H 2 15 LYS HG3 3.250 . 3.750 3.178 2.862 3.471 . 0 0 "[ . 1 . 2]" 1
1150 2 15 LYS H 2 15 LYS HG2 3.170 . 3.670 3.937 3.525 4.033 0.363 18 0 "[ . 1 . 2]" 1
1151 2 16 TRP HA 2 16 TRP HD1 3.130 . 3.630 3.740 3.691 3.800 0.170 4 0 "[ . 1 . 2]" 1
1152 2 16 TRP HA 2 17 THR H 3.890 . 3.900 2.156 2.146 2.171 . 0 0 "[ . 1 . 2]" 1
1153 2 16 TRP H 2 16 TRP HB3 3.340 . 3.840 3.626 3.613 3.657 . 0 0 "[ . 1 . 2]" 1
1154 2 16 TRP H 2 16 TRP HB2 3.140 . 3.640 2.460 2.403 2.555 . 0 0 "[ . 1 . 2]" 1
1155 2 17 THR HA 2 18 TRP H . . 3.400 2.191 2.154 2.238 . 0 0 "[ . 1 . 2]" 1
1156 2 17 THR MG 2 18 TRP H . . 3.800 2.254 2.084 2.442 . 0 0 "[ . 1 . 2]" 1
1157 2 17 THR H 2 17 THR HB 3.670 . 4.170 2.773 2.539 2.929 . 0 0 "[ . 1 . 2]" 1
1158 2 18 TRP HA 2 19 LYS H . . 3.300 2.151 2.134 2.178 . 0 0 "[ . 1 . 2]" 1
1159 2 18 TRP H 2 18 TRP HB3 3.410 . 3.910 2.519 2.490 2.578 . 0 0 "[ . 1 . 2]" 1
1160 2 19 LYS HA 2 19 LYS HG3 3.610 . 4.110 2.927 2.645 3.134 . 0 0 "[ . 1 . 2]" 1
1161 2 19 LYS HA 2 19 LYS HG2 3.930 . 4.430 2.409 2.351 2.537 . 0 0 "[ . 1 . 2]" 1
1162 2 19 LYS HA 2 20 GLY HA2 3.450 . 4.300 4.566 4.533 4.597 0.297 14 0 "[ . 1 . 2]" 1
1163 2 19 LYS HA 2 20 GLY H . . 3.200 2.415 2.331 2.499 . 0 0 "[ . 1 . 2]" 1
1164 2 19 LYS HB3 2 19 LYS HE3 3.900 . 4.400 3.709 2.323 4.612 0.212 5 0 "[ . 1 . 2]" 1
1165 2 19 LYS HB3 2 20 GLY H 3.430 . 3.930 2.289 2.129 2.438 . 0 0 "[ . 1 . 2]" 1
1166 2 19 LYS HB2 2 19 LYS HE3 3.680 . 5.180 3.316 2.283 4.440 . 0 0 "[ . 1 . 2]" 1
1167 2 19 LYS HB2 2 20 GLY H 3.210 . 3.710 3.591 3.341 3.722 0.012 6 0 "[ . 1 . 2]" 1
1168 2 19 LYS HE3 2 19 LYS HG3 3.890 . 4.390 2.927 2.322 3.799 . 0 0 "[ . 1 . 2]" 1
1169 2 19 LYS HE3 2 19 LYS HG2 3.920 . 4.420 3.311 2.312 4.238 . 0 0 "[ . 1 . 2]" 1
1170 2 19 LYS H 2 19 LYS HB3 3.380 . 3.880 3.809 3.722 3.874 . 0 0 "[ . 1 . 2]" 1
1171 2 19 LYS H 2 19 LYS HB2 3.770 . 4.270 2.702 2.573 2.802 . 0 0 "[ . 1 . 2]" 1
1172 2 20 GLY HA3 2 21 ILE H 4.520 . 5.020 2.378 2.362 2.399 . 0 0 "[ . 1 . 2]" 1
1173 2 20 GLY HA2 2 21 ILE H 4.360 . 4.860 2.810 2.777 2.836 . 0 0 "[ . 1 . 2]" 1
1174 2 21 ILE HA 2 21 ILE MD 3.710 . 4.210 3.712 2.095 4.160 . 0 0 "[ . 1 . 2]" 1
1175 2 21 ILE HA 2 21 ILE HG13 3.670 . 4.170 3.229 2.380 3.752 . 0 0 "[ . 1 . 2]" 1
1176 2 21 ILE HA 2 21 ILE HG12 3.820 . 4.320 3.192 2.605 3.612 . 0 0 "[ . 1 . 2]" 1
1177 2 21 ILE HA 2 22 ILE HG12 3.770 . 4.270 4.389 4.354 4.594 0.324 15 0 "[ . 1 . 2]" 1
1178 2 21 ILE HA 2 22 ILE H 4.970 . 5.470 3.548 3.518 3.564 . 0 0 "[ . 1 . 2]" 1
1179 2 21 ILE MD 2 22 ILE H 3.280 . 3.780 3.374 2.673 4.209 0.429 19 0 "[ . 1 . 2]" 1
1180 2 21 ILE HG13 2 22 ILE H 3.600 . 4.100 3.355 1.756 4.272 0.172 20 0 "[ . 1 . 2]" 1
1181 2 21 ILE MG 2 22 ILE H 4.040 . 5.540 3.216 1.582 3.806 0.218 15 0 "[ . 1 . 2]" 1
1182 2 21 ILE H 2 21 ILE HB 4.110 . 4.610 2.981 2.422 3.517 . 0 0 "[ . 1 . 2]" 1
1183 2 21 ILE H 2 21 ILE HG13 3.550 . 4.050 2.238 1.731 4.302 0.252 15 0 "[ . 1 . 2]" 1
1184 2 21 ILE H 2 21 ILE HG12 3.340 . 4.840 2.644 1.780 4.460 0.020 19 0 "[ . 1 . 2]" 1
1185 2 22 ILE HA 2 22 ILE MD 3.250 . 3.750 4.091 4.071 4.106 0.356 13 0 "[ . 1 . 2]" 1
1186 2 22 ILE H 2 22 ILE HB 3.970 . 4.470 3.926 3.916 3.940 . 0 0 "[ . 1 . 2]" 1
1187 2 22 ILE H 2 22 ILE MD 3.450 . 3.950 4.118 4.106 4.128 0.178 5 0 "[ . 1 . 2]" 1
1188 2 22 ILE H 2 22 ILE MG 4.290 . 4.790 3.315 3.281 3.339 . 0 0 "[ . 1 . 2]" 1
1189 2 23 ARG HA 2 23 ARG HD3 4.000 . 4.500 4.638 3.992 4.839 0.339 5 0 "[ . 1 . 2]" 1
1190 2 23 ARG HA 2 23 ARG HD2 4.020 . 4.520 4.581 3.581 4.749 0.229 12 0 "[ . 1 . 2]" 1
1191 2 23 ARG HA 2 23 ARG HG3 4.210 . 4.710 3.726 3.587 4.224 . 0 0 "[ . 1 . 2]" 1
1192 2 23 ARG HA 2 24 LEU MD1 3.650 . 5.150 4.167 3.282 4.641 . 0 0 "[ . 1 . 2]" 1
1193 2 23 ARG HB3 2 23 ARG HD3 4.120 . 4.620 2.636 2.414 3.609 . 0 0 "[ . 1 . 2]" 1
1194 2 23 ARG HB3 2 23 ARG HD2 4.140 . 4.640 3.049 2.332 3.851 . 0 0 "[ . 1 . 2]" 1
1195 2 23 ARG HB3 2 24 LEU MD1 4.200 . 6.200 5.887 5.162 6.267 0.067 19 0 "[ . 1 . 2]" 1
1196 2 23 ARG HB2 2 23 ARG HD3 4.170 . 4.670 3.028 2.357 4.236 . 0 0 "[ . 1 . 2]" 1
1197 2 23 ARG HB2 2 23 ARG HD2 4.020 . 4.520 2.579 2.324 3.591 . 0 0 "[ . 1 . 2]" 1
1198 2 23 ARG H 2 23 ARG HB3 3.810 . 4.310 2.587 2.454 2.781 . 0 0 "[ . 1 . 2]" 1
1199 2 23 ARG H 2 23 ARG HB2 3.390 . 3.890 3.594 3.580 3.613 . 0 0 "[ . 1 . 2]" 1
1200 2 24 LEU HA 2 25 GLU H 5.240 . 5.740 2.118 2.092 2.230 . 0 0 "[ . 1 . 2]" 1
1201 2 24 LEU HB3 2 25 GLU H 3.860 . 4.360 3.451 2.849 3.735 . 0 0 "[ . 1 . 2]" 1
1202 2 24 LEU MD1 2 25 GLU H 3.990 . 4.490 3.466 3.250 3.698 . 0 0 "[ . 1 . 2]" 1
1203 2 24 LEU H 2 24 LEU HB3 3.610 . 4.110 3.580 3.558 3.609 . 0 0 "[ . 1 . 2]" 1
1204 2 24 LEU H 2 24 LEU MD1 3.590 . 4.090 3.181 2.377 3.529 . 0 0 "[ . 1 . 2]" 1
1205 2 24 LEU H 2 24 LEU HG 3.360 . 3.860 3.651 3.521 3.723 . 0 0 "[ . 1 . 2]" 1
1206 2 25 GLU HA 2 25 GLU HG3 3.980 . 4.480 2.493 2.356 2.747 . 0 0 "[ . 1 . 2]" 1
1207 2 25 GLU HA 2 25 GLU HG2 4.070 . 4.570 3.217 2.999 3.658 . 0 0 "[ . 1 . 2]" 1
1208 2 25 GLU HA 2 26 GLN HB3 3.480 . 5.480 5.276 4.660 5.787 0.307 9 0 "[ . 1 . 2]" 1
1209 2 25 GLU HA 2 26 GLN HB2 3.330 . 4.830 4.561 4.283 4.804 . 0 0 "[ . 1 . 2]" 1
1210 2 25 GLU HA 2 26 GLN H 5.520 . 6.020 2.243 2.179 2.297 . 0 0 "[ . 1 . 2]" 1
1211 2 25 GLU HG3 2 26 GLN H 3.180 . 3.680 2.399 1.963 2.861 . 0 0 "[ . 1 . 2]" 1
1212 2 25 GLU HG2 2 26 GLN H 3.170 . 3.670 2.805 2.207 3.774 0.104 14 0 "[ . 1 . 2]" 1
1213 2 25 GLU H 2 25 GLU HB3 3.840 . 4.340 2.586 2.492 2.718 . 0 0 "[ . 1 . 2]" 1
1214 2 25 GLU H 2 25 GLU HG3 3.500 . 5.000 4.509 4.462 4.618 . 0 0 "[ . 1 . 2]" 1
1215 2 25 GLU H 2 25 GLU HG2 3.610 . 5.110 4.508 4.401 4.784 . 0 0 "[ . 1 . 2]" 1
1216 2 26 GLN HA 2 26 GLN HG3 3.850 . 4.350 2.860 2.332 3.722 . 0 0 "[ . 1 . 2]" 1
1217 2 26 GLN H 2 26 GLN HG3 3.650 . 4.150 3.793 2.447 4.527 0.377 18 0 "[ . 1 . 2]" 1
1218 1 12 PHE HB3 2 5 ILE MG 4.000 . 5.500 4.976 3.794 5.694 0.194 6 0 "[ . 1 . 2]" 1
1219 1 12 PHE QD 2 5 ILE MG 4.000 . 5.500 4.007 2.283 5.132 . 0 0 "[ . 1 . 2]" 1
1220 1 12 PHE QD 2 5 ILE MD 4.000 . 5.500 4.382 2.428 5.806 0.306 7 0 "[ . 1 . 2]" 1
1221 1 15 ILE HG13 2 24 LEU HG 4.000 . 4.500 3.614 2.276 4.035 . 0 0 "[ . 1 . 2]" 1
1222 1 15 ILE MG 2 4 PRO HB3 4.000 . 4.500 4.351 2.561 4.806 0.306 7 0 "[ . 1 . 2]" 1
1223 1 15 ILE MG 2 4 PRO HB2 4.000 . 4.500 4.001 3.093 4.511 0.011 2 0 "[ . 1 . 2]" 1
1224 1 15 ILE MG 2 4 PRO HG3 4.000 . 4.500 3.760 3.271 4.539 0.039 1 0 "[ . 1 . 2]" 1
1225 1 15 ILE MG 2 4 PRO HG2 4.000 . 4.500 3.733 3.193 4.370 . 0 0 "[ . 1 . 2]" 1
1226 1 15 ILE MG 2 4 PRO HD3 4.000 . 5.500 5.499 5.176 5.803 0.303 19 0 "[ . 1 . 2]" 1
1227 1 15 ILE MG 2 23 ARG HB2 4.000 . 5.500 5.076 4.683 5.543 0.043 19 0 "[ . 1 . 2]" 1
1228 1 15 ILE MG 2 24 LEU HA 4.000 . 5.500 4.451 4.247 4.844 . 0 0 "[ . 1 . 2]" 1
1229 1 15 ILE MG 2 24 LEU MD1 4.000 . 5.500 3.829 3.218 4.382 . 0 0 "[ . 1 . 2]" 1
1230 1 15 ILE MG 2 24 LEU HG 4.000 . 4.500 3.066 2.355 3.733 . 0 0 "[ . 1 . 2]" 1
1231 1 15 ILE MD 2 4 PRO HB2 4.000 . 4.500 3.371 2.167 4.603 0.103 16 0 "[ . 1 . 2]" 1
1232 1 15 ILE MD 2 4 PRO HG3 4.000 . 4.500 2.701 2.057 4.073 . 0 0 "[ . 1 . 2]" 1
1233 1 15 ILE MD 2 4 PRO HD3 4.000 . 6.500 3.781 3.103 5.865 . 0 0 "[ . 1 . 2]" 1
1234 1 15 ILE MD 2 4 PRO HG2 4.000 . 6.500 2.317 2.016 3.785 . 0 0 "[ . 1 . 2]" 1
1235 1 15 ILE MD 2 5 ILE MG 4.000 . 4.500 3.254 2.513 3.852 . 0 0 "[ . 1 . 2]" 1
1236 1 15 ILE MD 2 5 ILE MD 4.000 . 4.500 4.593 4.469 4.697 0.197 2 0 "[ . 1 . 2]" 1
1237 1 20 ILE HA 2 24 LEU MD1 4.000 . 6.500 6.458 6.249 6.602 0.102 13 0 "[ . 1 . 2]" 1
1238 1 20 ILE HA 2 24 LEU HG 4.000 . 6.500 5.467 5.038 5.953 . 0 0 "[ . 1 . 2]" 1
1239 1 20 ILE HB 2 24 LEU MD1 4.000 . 6.500 4.889 4.707 5.140 . 0 0 "[ . 1 . 2]" 1
1240 1 20 ILE MD 2 5 ILE MD 4.000 . 6.500 6.118 5.215 6.563 0.063 7 0 "[ . 1 . 2]" 1
1241 1 20 ILE MD 2 24 LEU MD1 4.000 . 5.500 4.155 3.889 4.589 . 0 0 "[ . 1 . 2]" 1
1242 1 20 ILE MD 2 24 LEU HG 4.000 . 5.500 4.167 3.468 4.888 . 0 0 "[ . 1 . 2]" 1
1243 1 20 ILE MG 2 23 ARG HB2 4.000 . 4.500 2.971 2.277 3.495 . 0 0 "[ . 1 . 2]" 1
1244 1 20 ILE MG 2 24 LEU HA 4.000 . 5.500 5.010 4.673 5.516 0.016 16 0 "[ . 1 . 2]" 1
1245 1 20 ILE MG 2 24 LEU MD1 4.000 . 6.500 4.332 4.101 4.473 . 0 0 "[ . 1 . 2]" 1
1246 1 20 ILE MG 2 24 LEU HG 4.000 . 4.500 3.642 3.003 4.118 . 0 0 "[ . 1 . 2]" 1
1247 1 70 ASP HA 2 22 ILE MD 4.000 . 4.500 2.517 2.198 2.716 . 0 0 "[ . 1 . 2]" 1
1248 1 70 ASP HB3 2 22 ILE MG 4.000 . 4.500 4.184 3.927 4.312 . 0 0 "[ . 1 . 2]" 1
1249 1 70 ASP HB2 2 22 ILE MG . . 3.700 3.650 3.247 3.852 0.152 2 0 "[ . 1 . 2]" 1
1250 1 70 ASP HB3 2 22 ILE MD 4.000 . 4.500 4.562 4.314 4.702 0.202 19 0 "[ . 1 . 2]" 1
1251 1 70 ASP HB2 2 22 ILE MD 4.000 . 4.500 3.448 3.256 3.581 . 0 0 "[ . 1 . 2]" 1
1252 1 71 TYR HB3 2 22 ILE HB 4.000 . 4.500 4.669 4.557 4.753 0.253 5 0 "[ . 1 . 2]" 1
1253 1 71 TYR HB2 2 22 ILE HB 4.000 . 5.500 3.804 3.607 3.909 . 0 0 "[ . 1 . 2]" 1
1254 1 71 TYR HB2 2 22 ILE MD 4.000 . 4.500 4.245 4.149 4.366 . 0 0 "[ . 1 . 2]" 1
1255 1 71 TYR QD 2 22 ILE HB 4.000 . 5.500 5.341 5.063 5.481 . 0 0 "[ . 1 . 2]" 1
1256 1 72 ASP HA 2 22 ILE MG 4.000 . 5.500 2.844 2.470 3.337 . 0 0 "[ . 1 . 2]" 1
1257 1 73 ILE HG13 2 22 ILE MD 4.000 . 6.500 6.677 6.573 6.797 0.297 19 0 "[ . 1 . 2]" 1
1258 1 73 ILE MD 2 22 ILE HB 4.000 . 5.500 2.918 2.734 3.202 . 0 0 "[ . 1 . 2]" 1
1259 1 73 ILE MD 2 22 ILE MG 4.000 . 5.500 3.318 2.936 3.753 . 0 0 "[ . 1 . 2]" 1
1260 1 75 VAL HB 2 18 TRP HB3 4.000 . 4.500 2.569 2.276 4.474 . 0 0 "[ . 1 . 2]" 1
1261 1 74 SER HA 2 17 THR MG 4.000 . 5.000 4.080 3.680 4.426 . 0 0 "[ . 1 . 2]" 1
1262 1 74 SER HB3 2 17 THR MG 4.000 . 4.500 4.298 3.223 4.782 0.282 2 0 "[ . 1 . 2]" 1
1263 1 74 SER HB2 2 17 THR MG 4.000 . 4.500 4.338 3.603 4.666 0.166 13 0 "[ . 1 . 2]" 1
1264 1 74 SER HA 2 19 LYS HA 4.000 . 4.700 3.821 3.160 4.413 . 0 0 "[ . 1 . 2]" 1
1265 1 74 SER HA 2 19 LYS HB3 4.000 . 5.500 4.730 4.048 5.280 . 0 0 "[ . 1 . 2]" 1
1266 1 74 SER HA 2 19 LYS HG2 4.000 . 5.500 2.553 2.308 2.955 . 0 0 "[ . 1 . 2]" 1
1267 1 76 ILE MG 2 15 LYS HB3 4.000 . 6.500 4.489 3.912 5.101 . 0 0 "[ . 1 . 2]" 1
1268 1 76 ILE MG 2 15 LYS HB2 4.000 . 6.500 4.835 4.272 5.517 . 0 0 "[ . 1 . 2]" 1
1269 1 76 ILE MG 2 15 LYS HD2 4.000 . 6.500 4.225 3.603 4.996 . 0 0 "[ . 1 . 2]" 1
1270 1 76 ILE MG 2 15 LYS HE2 4.000 . 6.500 5.105 3.489 6.238 . 0 0 "[ . 1 . 2]" 1
1271 1 76 ILE MG 2 15 LYS HG3 4.000 . 6.500 5.979 5.457 6.499 . 0 0 "[ . 1 . 2]" 1
1272 1 76 ILE MG 2 15 LYS HG2 4.000 . 6.500 5.978 5.461 6.407 . 0 0 "[ . 1 . 2]" 1
1273 1 76 ILE MG 2 15 LYS HD3 4.000 . 6.500 4.439 3.687 5.545 . 0 0 "[ . 1 . 2]" 1
1274 1 76 ILE MD 2 15 LYS HD2 4.000 . 6.500 6.280 5.511 6.755 0.255 11 0 "[ . 1 . 2]" 1
1275 1 76 ILE HA 2 17 THR MG 4.000 . 6.500 2.585 2.277 3.674 . 0 0 "[ . 1 . 2]" 1
1276 1 76 ILE HG13 2 17 THR MG 4.000 . 6.500 3.522 3.232 4.047 . 0 0 "[ . 1 . 2]" 1
1277 1 76 ILE HG12 2 17 THR MG 4.000 . 6.500 3.120 2.485 3.801 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 45
_Distance_constraint_stats_list.Viol_count 151
_Distance_constraint_stats_list.Viol_total 335.220
_Distance_constraint_stats_list.Viol_max 0.382
_Distance_constraint_stats_list.Viol_rms 0.0525
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0186
_Distance_constraint_stats_list.Viol_average_violations_only 0.1110
_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 9 ASP 0.120 0.112 10 0 "[ . 1 . 2]"
1 10 LEU 1.466 0.191 9 0 "[ . 1 . 2]"
1 15 ILE 4.463 0.326 1 0 "[ . 1 . 2]"
1 72 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 VAL 0.687 0.382 11 0 "[ . 1 . 2]"
1 76 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 LEU 0.238 0.052 9 0 "[ . 1 . 2]"
2 7 GLY 4.336 0.261 12 0 "[ . 1 . 2]"
2 8 SER 3.536 0.246 5 0 "[ . 1 . 2]"
2 9 TRP 1.640 0.191 9 0 "[ . 1 . 2]"
2 10 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 TRP 0.082 0.026 20 0 "[ . 1 . 2]"
2 12 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 14 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 15 LYS 0.321 0.052 9 0 "[ . 1 . 2]"
2 16 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
2 17 THR 1.491 0.186 14 0 "[ . 1 . 2]"
2 18 TRP 9.529 0.382 11 0 "[ . 1 . 2]"
2 19 LYS 0.895 0.186 14 0 "[ . 1 . 2]"
2 20 GLY 0.256 0.093 8 0 "[ . 1 . 2]"
2 22 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 24 LEU 4.463 0.326 1 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 15 ILE HA 2 24 LEU HG 3.800 . 4.300 4.388 3.906 4.622 0.322 7 0 "[ . 1 . 2]" 2
2 1 15 ILE H 2 24 LEU HG 4.100 . 5.600 5.677 5.473 5.926 0.326 1 0 "[ . 1 . 2]" 2
3 1 72 ASP HA 2 22 ILE HA 3.000 . 5.500 3.462 3.213 3.841 . 0 0 "[ . 1 . 2]" 2
4 1 75 VAL H 2 17 THR MG 3.400 . 4.900 3.141 2.556 3.747 . 0 0 "[ . 1 . 2]" 2
5 1 75 VAL HA 2 18 TRP HB3 4.200 . 5.700 5.379 5.036 6.082 0.382 11 0 "[ . 1 . 2]" 2
6 1 75 VAL H 2 18 TRP HB3 4.100 . 5.600 4.187 3.731 4.831 . 0 0 "[ . 1 . 2]" 2
7 1 75 VAL H 2 19 LYS HA 4.000 . 5.500 4.195 3.567 5.159 . 0 0 "[ . 1 . 2]" 2
8 1 76 ILE HA 2 17 THR HA 3.200 . 5.700 3.738 3.280 4.280 . 0 0 "[ . 1 . 2]" 2
9 1 77 THR H 2 17 THR HA 3.900 . 6.400 3.685 3.348 4.144 . 0 0 "[ . 1 . 2]" 2
10 1 78 LEU HA 2 15 LYS HB3 4.000 . 6.500 5.211 4.605 5.926 . 0 0 "[ . 1 . 2]" 2
11 1 78 LEU HA 2 15 LYS HD3 3.900 . 5.400 4.391 3.161 5.452 0.052 9 0 "[ . 1 . 2]" 2
12 1 78 LEU HA 2 15 LYS HD2 3.900 . 5.400 4.703 3.346 5.444 0.044 5 0 "[ . 1 . 2]" 2
13 2 7 GLY HA3 2 18 TRP HH2 2.900 . 3.400 3.441 3.294 3.507 0.107 15 0 "[ . 1 . 2]" 2
14 2 7 GLY HA2 2 18 TRP HH2 3.600 . 4.100 4.266 4.202 4.361 0.261 12 0 "[ . 1 . 2]" 2
15 2 8 SER HA 2 9 TRP HB2 3.500 . 5.000 4.675 4.604 4.739 . 0 0 "[ . 1 . 2]" 2
16 2 8 SER HB3 2 18 TRP HH2 3.700 . 4.200 4.377 4.326 4.446 0.246 5 0 "[ . 1 . 2]" 2
17 2 9 TRP HB2 2 9 TRP HD1 3.700 . 4.200 2.664 2.625 2.701 . 0 0 "[ . 1 . 2]" 2
18 2 9 TRP HE3 2 16 TRP HB2 4.100 . 4.600 3.784 3.484 4.064 . 0 0 "[ . 1 . 2]" 2
19 2 9 TRP HE3 2 17 THR HA 3.900 . 4.400 4.396 3.989 4.515 0.115 1 0 "[ . 1 . 2]" 2
20 2 9 TRP HA 2 18 TRP HA 3.000 . 3.500 3.298 3.055 3.573 0.073 19 0 "[ . 1 . 2]" 2
21 2 9 TRP HA 2 18 TRP HB3 4.300 . 5.800 5.472 5.286 5.761 . 0 0 "[ . 1 . 2]" 2
22 2 10 THR HA 2 11 TRP HB3 4.200 . 4.700 4.452 4.392 4.524 . 0 0 "[ . 1 . 2]" 2
23 2 11 TRP HB3 2 11 TRP HE3 3.900 . 4.400 4.247 4.220 4.262 . 0 0 "[ . 1 . 2]" 2
24 2 11 TRP HZ3 2 14 GLY HA2 3.900 . 4.400 4.106 3.990 4.281 . 0 0 "[ . 1 . 2]" 2
25 2 11 TRP HE3 2 15 LYS HA 4.100 . 4.600 4.538 4.393 4.626 0.026 20 0 "[ . 1 . 2]" 2
26 2 15 LYS HB3 2 16 TRP H 3.800 . 4.300 2.766 2.661 2.815 . 0 0 "[ . 1 . 2]" 2
27 2 17 THR MG 2 19 LYS HE3 3.300 . 3.800 3.166 2.198 3.986 0.186 14 0 "[ . 1 . 2]" 2
28 2 18 TRP HB3 2 18 TRP HD1 3.900 . 4.400 2.756 2.707 2.807 . 0 0 "[ . 1 . 2]" 2
29 2 19 LYS HG3 2 20 GLY H 4.200 . 4.700 4.665 4.449 4.793 0.093 8 0 "[ . 1 . 2]" 2
30 2 19 LYS HG2 2 20 GLY H 4.100 . 4.600 3.754 3.562 4.062 . 0 0 "[ . 1 . 2]" 2
31 1 10 LEU HB2 2 9 TRP HZ2 4.300 . 4.800 2.728 2.304 4.802 0.002 10 0 "[ . 1 . 2]" 2
32 1 10 LEU MD2 2 9 TRP HZ2 5.100 . 5.600 4.174 2.044 5.122 . 0 0 "[ . 1 . 2]" 2
33 1 10 LEU HB2 2 18 TRP HZ3 5.100 . 5.600 5.095 3.740 5.763 0.163 8 0 "[ . 1 . 2]" 2
34 2 7 GLY HA3 2 18 TRP HZ2 4.700 . 5.200 2.322 2.282 2.433 . 0 0 "[ . 1 . 2]" 2
35 2 9 TRP H 2 9 TRP HD1 . . 4.000 2.594 2.406 2.808 . 0 0 "[ . 1 . 2]" 2
36 2 9 TRP HD1 2 18 TRP HZ3 5.100 . 5.600 2.499 2.329 2.749 . 0 0 "[ . 1 . 2]" 2
37 2 11 TRP HZ2 2 14 GLY HA3 5.000 . 5.500 4.344 4.085 4.793 . 0 0 "[ . 1 . 2]" 2
38 2 11 TRP HZ2 2 14 GLY HA2 4.600 . 5.100 2.726 2.461 3.102 . 0 0 "[ . 1 . 2]" 2
39 1 9 ASP HA 2 9 TRP HE1 3.600 . 4.100 2.956 1.792 4.212 0.112 10 0 "[ . 1 . 2]" 2
40 1 10 LEU HB3 2 9 TRP HE1 4.000 . 4.500 4.038 3.143 4.691 0.191 9 0 "[ . 1 . 2]" 2
41 1 10 LEU HB2 2 9 TRP HE1 4.000 . 4.500 3.841 2.964 4.601 0.101 10 0 "[ . 1 . 2]" 2
42 2 7 GLY HA3 2 18 TRP HE1 4.100 . 4.600 3.987 3.868 4.199 . 0 0 "[ . 1 . 2]" 2
43 2 8 SER H 2 9 TRP H 4.400 . 4.900 4.363 4.348 4.375 . 0 0 "[ . 1 . 2]" 2
44 2 9 TRP H 2 9 TRP HB2 3.100 . 3.600 2.335 2.273 2.383 . 0 0 "[ . 1 . 2]" 2
45 2 11 TRP HB3 2 12 GLU H 4.300 . 4.800 4.429 4.386 4.473 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 4
_Distance_constraint_stats_list.Viol_count 51
_Distance_constraint_stats_list.Viol_total 57.378
_Distance_constraint_stats_list.Viol_max 0.158
_Distance_constraint_stats_list.Viol_rms 0.0458
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0359
_Distance_constraint_stats_list.Viol_average_violations_only 0.0563
_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
2 10 THR 2.272 0.158 13 0 "[ . 1 . 2]"
2 12 GLU 0.597 0.089 3 0 "[ . 1 . 2]"
2 15 LYS 0.597 0.089 3 0 "[ . 1 . 2]"
2 17 THR 2.272 0.158 13 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 2 10 THR H 2 17 THR O 2.000 . 2.500 2.606 2.560 2.658 0.158 13 0 "[ . 1 . 2]" 3
2 2 10 THR O 2 17 THR H 2.000 . 2.500 2.450 2.246 2.537 0.037 17 0 "[ . 1 . 2]" 3
3 2 12 GLU H 2 15 LYS O 2.000 . 2.500 2.481 2.288 2.589 0.089 3 0 "[ . 1 . 2]" 3
4 2 12 GLU O 2 15 LYS H 2.000 . 2.500 1.846 1.754 2.130 0.046 11 0 "[ . 1 . 2]" 3
stop_
save_
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