NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
487501 |
2kwu   |
16880 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kwu
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 2457
_Distance_constraint_stats_list.Viol_count 6355
_Distance_constraint_stats_list.Viol_total 8974.326
_Distance_constraint_stats_list.Viol_max 0.819
_Distance_constraint_stats_list.Viol_rms 0.0338
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0091
_Distance_constraint_stats_list.Viol_average_violations_only 0.0706
_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 8 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 GLU 1.182 0.192 2 0 "[ . 1 . 2]"
1 10 GLU 2.985 0.334 2 0 "[ . 1 . 2]"
1 11 LYS 7.834 0.171 2 0 "[ . 1 . 2]"
1 12 LEU 15.097 0.232 2 0 "[ . 1 . 2]"
1 13 PRO 8.082 0.176 17 0 "[ . 1 . 2]"
1 14 PHE 8.660 0.374 14 0 "[ . 1 . 2]"
1 15 PRO 1.228 0.088 16 0 "[ . 1 . 2]"
1 16 PRO 1.329 0.088 16 0 "[ . 1 . 2]"
1 17 ASP 0.161 0.060 14 0 "[ . 1 . 2]"
1 18 ILE 6.551 0.125 1 0 "[ . 1 . 2]"
1 19 ASP 2.951 0.091 15 0 "[ . 1 . 2]"
1 20 PRO 5.911 0.258 6 0 "[ . 1 . 2]"
1 21 GLN 8.185 0.374 14 0 "[ . 1 . 2]"
1 22 VAL 6.058 0.164 7 0 "[ . 1 . 2]"
1 23 PHE 6.944 0.222 6 0 "[ . 1 . 2]"
1 24 TYR 8.505 0.295 11 0 "[ . 1 . 2]"
1 25 GLU 0.675 0.110 12 0 "[ . 1 . 2]"
1 26 LEU 6.315 0.165 5 0 "[ . 1 . 2]"
1 27 PRO 8.864 0.358 15 0 "[ . 1 . 2]"
1 28 GLU 23.259 0.471 15 0 "[ . 1 . 2]"
1 29 GLU 17.559 0.310 5 0 "[ . 1 . 2]"
1 30 VAL 3.731 0.135 4 0 "[ . 1 . 2]"
1 31 GLN 13.651 0.471 15 0 "[ . 1 . 2]"
1 32 LYS 14.825 0.230 8 0 "[ . 1 . 2]"
1 33 GLU 8.976 0.233 17 0 "[ . 1 . 2]"
1 34 LEU 5.933 0.233 17 0 "[ . 1 . 2]"
1 35 MET 5.504 0.140 20 0 "[ . 1 . 2]"
1 36 ALA 5.301 0.175 13 0 "[ . 1 . 2]"
1 37 GLU 18.466 0.203 5 0 "[ . 1 . 2]"
1 38 TRP 14.271 0.203 7 0 "[ . 1 . 2]"
1 39 GLU 9.938 0.203 7 0 "[ . 1 . 2]"
1 40 ARG 2.877 0.131 19 0 "[ . 1 . 2]"
1 41 ALA 5.353 0.147 2 0 "[ . 1 . 2]"
1 42 GLY 0.353 0.056 2 0 "[ . 1 . 2]"
1 43 ALA 2.704 0.147 2 0 "[ . 1 . 2]"
2 1 MET 5.015 0.235 10 0 "[ . 1 . 2]"
2 2 GLN 14.165 0.336 15 0 "[ . 1 . 2]"
2 3 ILE 8.483 0.197 9 0 "[ . 1 . 2]"
2 4 PHE 13.018 0.229 1 0 "[ . 1 . 2]"
2 5 VAL 12.573 0.232 2 0 "[ . 1 . 2]"
2 6 LYS 8.964 0.180 17 0 "[ . 1 . 2]"
2 7 THR 8.697 0.237 19 0 "[ . 1 . 2]"
2 8 LEU 6.947 0.266 2 0 "[ . 1 . 2]"
2 9 THR 0.048 0.025 11 0 "[ . 1 . 2]"
2 10 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 LYS 6.927 0.172 14 0 "[ . 1 . 2]"
2 12 THR 6.023 0.135 5 0 "[ . 1 . 2]"
2 13 ILE 11.905 0.232 2 0 "[ . 1 . 2]"
2 14 THR 6.899 0.171 16 0 "[ . 1 . 2]"
2 15 LEU 12.172 0.503 16 1 "[ . 1 .+ 2]"
2 16 GLU 20.624 0.503 16 1 "[ . 1 .+ 2]"
2 17 VAL 8.010 0.346 19 0 "[ . 1 . 2]"
2 18 GLU 7.230 0.346 19 0 "[ . 1 . 2]"
2 19 PRO 8.013 0.168 10 0 "[ . 1 . 2]"
2 20 SER 3.966 0.132 15 0 "[ . 1 . 2]"
2 21 ASP 9.782 0.819 13 1 "[ . 1 + . 2]"
2 22 THR 7.038 0.277 20 0 "[ . 1 . 2]"
2 23 ILE 7.882 0.609 16 3 "[ .* 1 .+- 2]"
2 24 GLU 2.751 0.129 15 0 "[ . 1 . 2]"
2 25 ASN 7.511 0.819 13 1 "[ . 1 + . 2]"
2 26 VAL 6.746 0.186 4 0 "[ . 1 . 2]"
2 27 LYS 3.079 0.174 19 0 "[ . 1 . 2]"
2 28 ALA 3.677 0.165 6 0 "[ . 1 . 2]"
2 29 LYS 5.333 0.251 1 0 "[ . 1 . 2]"
2 30 ILE 4.837 0.153 13 0 "[ . 1 . 2]"
2 31 GLN 17.531 0.438 20 0 "[ . 1 . 2]"
2 32 ASP 9.815 0.217 2 0 "[ . 1 . 2]"
2 33 LYS 10.306 0.158 18 0 "[ . 1 . 2]"
2 34 GLU 6.541 0.166 20 0 "[ . 1 . 2]"
2 35 GLY 5.580 0.271 18 0 "[ . 1 . 2]"
2 36 ILE 6.920 0.222 18 0 "[ . 1 . 2]"
2 37 PRO 13.580 0.438 20 0 "[ . 1 . 2]"
2 38 PRO 8.197 0.183 5 0 "[ . 1 . 2]"
2 39 ASP 3.966 0.136 13 0 "[ . 1 . 2]"
2 40 GLN 10.950 0.196 1 0 "[ . 1 . 2]"
2 41 GLN 2.277 0.111 10 0 "[ . 1 . 2]"
2 42 ARG 5.556 0.152 1 0 "[ . 1 . 2]"
2 43 LEU 5.834 0.648 16 3 "[ .* 1 .+- 2]"
2 44 ILE 4.074 0.124 11 0 "[ . 1 . 2]"
2 45 PHE 6.864 0.204 2 0 "[ . 1 . 2]"
2 46 ALA 4.846 0.219 11 0 "[ . 1 . 2]"
2 47 GLY 2.336 0.219 11 0 "[ . 1 . 2]"
2 48 LYS 7.036 0.214 1 0 "[ . 1 . 2]"
2 49 GLN 14.948 0.648 2 3 "[ + . 1 - . *2]"
2 50 LEU 4.235 0.648 16 2 "[ . 1 .+- 2]"
2 51 GLU 8.113 0.344 3 0 "[ . 1 . 2]"
2 52 ASP 10.693 0.344 3 0 "[ . 1 . 2]"
2 53 GLY 3.399 0.244 3 0 "[ . 1 . 2]"
2 54 ARG 6.883 0.171 5 0 "[ . 1 . 2]"
2 55 THR 8.449 0.136 17 0 "[ . 1 . 2]"
2 56 LEU 5.072 0.372 4 0 "[ . 1 . 2]"
2 57 SER 5.500 0.116 6 0 "[ . 1 . 2]"
2 58 ASP 4.699 0.168 10 0 "[ . 1 . 2]"
2 59 TYR 4.447 0.119 13 0 "[ . 1 . 2]"
2 60 ASN 5.362 0.323 5 0 "[ . 1 . 2]"
2 61 ILE 7.348 0.116 6 0 "[ . 1 . 2]"
2 62 GLN 7.893 0.173 7 0 "[ . 1 . 2]"
2 63 LYS 12.461 0.327 5 0 "[ . 1 . 2]"
2 64 GLU 8.938 0.266 4 0 "[ . 1 . 2]"
2 65 SER 4.367 0.327 5 0 "[ . 1 . 2]"
2 66 THR 3.806 0.165 9 0 "[ . 1 . 2]"
2 67 LEU 2.719 0.354 19 0 "[ . 1 . 2]"
2 68 HIS 3.629 0.124 12 0 "[ . 1 . 2]"
2 69 LEU 4.966 0.237 19 0 "[ . 1 . 2]"
2 70 VAL 2.588 0.289 17 0 "[ . 1 . 2]"
2 71 LEU 1.469 0.084 8 0 "[ . 1 . 2]"
2 72 ARG 10.341 0.196 1 0 "[ . 1 . 2]"
2 73 LEU 3.913 0.304 20 0 "[ . 1 . 2]"
2 74 ARG 14.601 0.538 20 1 "[ . 1 . +]"
2 75 GLY 6.359 0.216 20 0 "[ . 1 . 2]"
2 76 GLY 1.645 0.141 16 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 8 ALA H 1 8 ALA MB . . 2.960 2.599 2.572 2.626 . 0 0 "[ . 1 . 2]" 1
2 1 8 ALA H 1 9 GLU H . . 2.820 1.740 1.728 1.757 . 0 0 "[ . 1 . 2]" 1
3 1 8 ALA H 1 9 GLU HA . . 4.760 4.337 4.303 4.371 . 0 0 "[ . 1 . 2]" 1
4 1 8 ALA H 1 9 GLU HB2 . . 4.720 3.721 3.599 3.794 . 0 0 "[ . 1 . 2]" 1
5 1 8 ALA H 1 9 GLU HB3 . . 5.500 4.022 3.863 4.208 . 0 0 "[ . 1 . 2]" 1
6 1 8 ALA HA 1 9 GLU H . . 3.490 3.287 3.242 3.332 . 0 0 "[ . 1 . 2]" 1
7 1 8 ALA MB 1 9 GLU H . . 3.500 3.369 3.326 3.399 . 0 0 "[ . 1 . 2]" 1
8 1 8 ALA MB 1 9 GLU HA . . 4.830 4.183 4.138 4.223 . 0 0 "[ . 1 . 2]" 1
9 1 8 ALA MB 1 9 GLU HB2 . . 5.410 4.631 4.559 4.676 . 0 0 "[ . 1 . 2]" 1
10 1 9 GLU H 1 9 GLU HB2 . . 2.960 2.523 2.394 2.591 . 0 0 "[ . 1 . 2]" 1
11 1 9 GLU H 1 9 GLU HB3 . . 3.240 2.505 2.385 2.642 . 0 0 "[ . 1 . 2]" 1
12 1 9 GLU H 1 9 GLU HG3 . . 5.500 4.434 4.352 4.465 . 0 0 "[ . 1 . 2]" 1
13 1 9 GLU H 1 10 GLU H . . 4.230 3.421 3.154 4.422 0.192 2 0 "[ . 1 . 2]" 1
14 1 9 GLU H 1 11 LYS H . . 3.520 3.311 3.204 3.576 0.056 2 0 "[ . 1 . 2]" 1
15 1 9 GLU HA 1 9 GLU HB3 . . 2.990 3.036 3.023 3.042 0.052 7 0 "[ . 1 . 2]" 1
16 1 9 GLU HA 1 9 GLU QG . . 3.450 2.694 2.313 3.104 . 0 0 "[ . 1 . 2]" 1
17 1 9 GLU HA 1 10 GLU H . . 3.240 2.724 2.569 2.882 . 0 0 "[ . 1 . 2]" 1
18 1 9 GLU QG 1 11 LYS HB2 . . 5.400 4.753 4.021 5.415 0.015 13 0 "[ . 1 . 2]" 1
19 1 10 GLU H 1 10 GLU HA . . 2.460 2.284 2.247 2.794 0.334 2 0 "[ . 1 . 2]" 1
20 1 10 GLU H 1 10 GLU HG2 . . 3.490 3.129 1.849 3.245 . 0 0 "[ . 1 . 2]" 1
21 1 10 GLU H 1 10 GLU HG3 . . 3.510 2.674 2.642 3.046 . 0 0 "[ . 1 . 2]" 1
22 1 10 GLU H 1 12 LEU QD . . 5.500 3.985 3.111 5.005 . 0 0 "[ . 1 . 2]" 1
23 1 10 GLU H 1 14 PHE QD . . 5.500 5.169 4.656 5.497 . 0 0 "[ . 1 . 2]" 1
24 1 10 GLU HA 1 10 GLU HB3 . . 3.050 2.465 2.385 2.481 . 0 0 "[ . 1 . 2]" 1
25 1 10 GLU HA 1 10 GLU HG2 . . 3.440 2.524 2.446 3.614 0.174 2 0 "[ . 1 . 2]" 1
26 1 10 GLU HA 1 10 GLU HG3 . . 3.360 3.111 3.062 3.613 0.253 2 0 "[ . 1 . 2]" 1
27 1 10 GLU HA 1 11 LYS H . . 3.110 2.886 2.800 3.070 . 0 0 "[ . 1 . 2]" 1
28 1 10 GLU HA 1 11 LYS HB2 . . 5.040 5.127 4.925 5.211 0.171 2 0 "[ . 1 . 2]" 1
29 1 10 GLU HA 1 12 LEU H . . 4.340 3.120 3.008 3.294 . 0 0 "[ . 1 . 2]" 1
30 1 10 GLU HA 1 12 LEU QD . . 5.500 3.288 2.348 3.994 . 0 0 "[ . 1 . 2]" 1
31 1 10 GLU HB2 1 10 GLU HG2 . . 3.050 3.047 3.030 3.051 0.001 12 0 "[ . 1 . 2]" 1
32 1 10 GLU HB2 1 10 GLU HG3 . . 2.880 2.475 2.464 2.488 . 0 0 "[ . 1 . 2]" 1
33 1 10 GLU HB3 1 11 LYS H . . 5.010 4.523 4.504 4.585 . 0 0 "[ . 1 . 2]" 1
34 1 10 GLU HB3 1 12 LEU H . . 5.200 4.783 4.607 5.279 0.079 2 0 "[ . 1 . 2]" 1
35 1 10 GLU HB3 1 12 LEU QD . . 5.500 5.019 4.243 5.536 0.036 2 0 "[ . 1 . 2]" 1
36 1 11 LYS H 1 11 LYS HB2 . . 3.080 2.280 1.991 2.433 . 0 0 "[ . 1 . 2]" 1
37 1 11 LYS H 1 11 LYS HB3 . . 3.320 2.400 2.251 3.295 . 0 0 "[ . 1 . 2]" 1
38 1 11 LYS H 1 11 LYS QD . . 4.410 4.180 4.008 4.450 0.040 15 0 "[ . 1 . 2]" 1
39 1 11 LYS H 1 11 LYS QE . . 5.500 5.154 3.879 5.653 0.153 11 0 "[ . 1 . 2]" 1
40 1 11 LYS H 1 12 LEU H . . 3.120 2.528 2.471 2.570 . 0 0 "[ . 1 . 2]" 1
41 1 11 LYS H 1 12 LEU HA . . 4.930 5.041 5.015 5.079 0.149 8 0 "[ . 1 . 2]" 1
42 1 11 LYS H 1 12 LEU QD . . 5.500 3.099 2.274 3.879 . 0 0 "[ . 1 . 2]" 1
43 1 11 LYS HA 1 11 LYS QD . . 3.940 3.362 1.968 4.008 0.068 2 0 "[ . 1 . 2]" 1
44 1 11 LYS HA 1 11 LYS QE . . 4.680 4.051 2.288 4.637 . 0 0 "[ . 1 . 2]" 1
45 1 11 LYS HA 1 11 LYS HG3 . . 3.410 2.887 2.537 3.524 0.114 13 0 "[ . 1 . 2]" 1
46 1 11 LYS HA 1 12 LEU QD . . 5.290 4.308 3.875 4.893 . 0 0 "[ . 1 . 2]" 1
47 1 11 LYS HB2 1 11 LYS QE . . 4.930 3.487 2.099 4.540 . 0 0 "[ . 1 . 2]" 1
48 1 11 LYS HB3 1 12 LEU QD . . 5.500 2.696 2.210 3.410 . 0 0 "[ . 1 . 2]" 1
49 1 11 LYS QD 1 11 LYS HG3 . . 2.790 2.348 2.180 2.420 . 0 0 "[ . 1 . 2]" 1
50 1 11 LYS QD 1 12 LEU H . . 4.650 4.625 3.969 4.746 0.096 1 0 "[ . 1 . 2]" 1
51 1 11 LYS QD 1 12 LEU HA . . 5.170 4.847 3.296 5.183 0.013 5 0 "[ . 1 . 2]" 1
52 1 11 LYS QE 1 11 LYS HG2 . . 3.290 2.536 2.242 3.304 0.014 4 0 "[ . 1 . 2]" 1
53 1 11 LYS HG3 1 12 LEU H . . 5.500 4.961 4.274 5.583 0.083 13 0 "[ . 1 . 2]" 1
54 1 12 LEU H 1 12 LEU HB2 . . 3.710 2.618 2.500 2.718 . 0 0 "[ . 1 . 2]" 1
55 1 12 LEU H 1 12 LEU HB3 . . 3.260 3.470 3.452 3.492 0.232 2 0 "[ . 1 . 2]" 1
56 1 12 LEU H 1 12 LEU QD . . 3.820 2.124 1.512 2.875 . 0 0 "[ . 1 . 2]" 1
57 1 12 LEU H 1 12 LEU HG . . 3.440 2.556 1.719 3.534 0.094 8 0 "[ . 1 . 2]" 1
58 1 12 LEU H 1 13 PRO HD2 . . 5.130 5.078 5.002 5.139 0.009 17 0 "[ . 1 . 2]" 1
59 1 12 LEU H 1 13 PRO HD3 . . 5.180 4.529 4.479 4.600 . 0 0 "[ . 1 . 2]" 1
60 1 12 LEU H 1 14 PHE H . . 5.500 4.310 4.081 4.492 . 0 0 "[ . 1 . 2]" 1
61 1 12 LEU H 1 14 PHE QD . . 5.500 3.972 3.200 5.067 . 0 0 "[ . 1 . 2]" 1
62 1 12 LEU H 1 35 MET ME . . 5.500 5.335 4.843 5.563 0.063 3 0 "[ . 1 . 2]" 1
63 1 12 LEU HA 1 12 LEU QD . . 4.000 2.186 2.136 2.247 . 0 0 "[ . 1 . 2]" 1
64 1 12 LEU HA 1 12 LEU HG . . 3.930 3.549 3.068 3.822 . 0 0 "[ . 1 . 2]" 1
65 1 12 LEU HA 1 13 PRO HD2 . . 3.310 3.364 3.338 3.389 0.079 12 0 "[ . 1 . 2]" 1
66 1 12 LEU HA 1 13 PRO HD3 . . 3.230 2.055 1.992 2.132 . 0 0 "[ . 1 . 2]" 1
67 1 12 LEU HA 1 13 PRO HG2 . . 5.300 4.696 4.605 4.798 . 0 0 "[ . 1 . 2]" 1
68 1 12 LEU HA 1 35 MET ME . . 5.130 5.022 4.576 5.235 0.105 18 0 "[ . 1 . 2]" 1
69 1 12 LEU HB2 1 13 PRO HD2 . . 4.180 3.109 2.950 3.254 . 0 0 "[ . 1 . 2]" 1
70 1 12 LEU HB2 1 13 PRO HD3 . . 3.320 3.461 3.433 3.496 0.176 17 0 "[ . 1 . 2]" 1
71 1 12 LEU HB2 1 13 PRO HG3 . . 5.450 5.508 5.463 5.545 0.095 2 0 "[ . 1 . 2]" 1
72 1 12 LEU HB2 1 14 PHE H . . 5.500 3.013 2.786 3.167 . 0 0 "[ . 1 . 2]" 1
73 1 12 LEU HB2 1 14 PHE QD . . 4.710 2.766 2.387 3.491 . 0 0 "[ . 1 . 2]" 1
74 1 12 LEU HB2 1 14 PHE QE . . 4.880 2.978 2.665 3.694 . 0 0 "[ . 1 . 2]" 1
75 1 12 LEU HB2 1 35 MET ME . . 3.900 3.930 3.836 4.007 0.107 2 0 "[ . 1 . 2]" 1
76 1 12 LEU HB2 1 38 TRP HE3 . . 5.270 3.630 3.443 3.943 . 0 0 "[ . 1 . 2]" 1
77 1 12 LEU HB3 1 12 LEU QD . . 3.200 2.221 2.087 2.415 . 0 0 "[ . 1 . 2]" 1
78 1 12 LEU HB3 1 13 PRO HD2 . . 4.520 2.136 2.012 2.253 . 0 0 "[ . 1 . 2]" 1
79 1 12 LEU HB3 1 13 PRO HD3 . . 5.030 2.126 2.095 2.165 . 0 0 "[ . 1 . 2]" 1
80 1 12 LEU HB3 1 14 PHE H . . 5.500 3.885 3.605 4.097 . 0 0 "[ . 1 . 2]" 1
81 1 12 LEU HB3 1 14 PHE QD . . 5.320 4.131 3.489 4.441 . 0 0 "[ . 1 . 2]" 1
82 1 12 LEU HB3 1 35 MET ME . . 5.480 3.372 3.138 3.538 . 0 0 "[ . 1 . 2]" 1
83 1 12 LEU QD 1 13 PRO HD2 . . 4.560 3.623 3.442 3.847 . 0 0 "[ . 1 . 2]" 1
84 1 12 LEU QD 1 13 PRO HD3 . . 4.970 3.008 2.828 3.156 . 0 0 "[ . 1 . 2]" 1
85 1 12 LEU QD 1 14 PHE HB2 . . 5.500 4.856 4.265 5.359 . 0 0 "[ . 1 . 2]" 1
86 1 12 LEU QD 1 14 PHE QD . . 4.780 3.458 2.664 4.158 . 0 0 "[ . 1 . 2]" 1
87 1 12 LEU QD 1 14 PHE QE . . 4.660 2.610 2.068 3.677 . 0 0 "[ . 1 . 2]" 1
88 1 12 LEU QD 1 14 PHE HZ . . 4.670 3.709 2.927 4.339 . 0 0 "[ . 1 . 2]" 1
89 1 12 LEU QD 1 35 MET H . . 5.500 5.430 5.126 5.519 0.019 5 0 "[ . 1 . 2]" 1
90 1 12 LEU QD 1 35 MET ME . . 3.740 2.116 1.803 2.817 . 0 0 "[ . 1 . 2]" 1
91 1 12 LEU QD 1 35 MET QG . . 5.500 4.143 3.914 4.431 . 0 0 "[ . 1 . 2]" 1
92 1 12 LEU QD 1 38 TRP HH2 . . 5.500 5.041 4.263 5.508 0.008 8 0 "[ . 1 . 2]" 1
93 1 12 LEU QD 1 39 GLU H . . 5.110 4.591 3.925 5.113 0.003 7 0 "[ . 1 . 2]" 1
94 1 12 LEU HG 1 13 PRO HD2 . . 5.430 4.729 4.185 5.149 . 0 0 "[ . 1 . 2]" 1
95 1 12 LEU HG 1 13 PRO HD3 . . 5.460 4.493 4.207 4.803 . 0 0 "[ . 1 . 2]" 1
96 1 12 LEU HG 1 38 TRP HE3 . . 4.990 3.852 2.424 4.888 . 0 0 "[ . 1 . 2]" 1
97 1 13 PRO HA 1 14 PHE H . . 3.020 3.156 3.094 3.196 0.176 19 0 "[ . 1 . 2]" 1
98 1 13 PRO QB 1 14 PHE H . . 4.420 3.684 3.614 3.761 . 0 0 "[ . 1 . 2]" 1
99 1 13 PRO QB 1 18 ILE MD . . 3.700 2.748 2.414 3.702 0.002 20 0 "[ . 1 . 2]" 1
100 1 13 PRO HD2 1 14 PHE H . . 5.500 3.442 3.275 3.567 . 0 0 "[ . 1 . 2]" 1
101 1 13 PRO HD2 1 38 TRP HE3 . . 5.490 2.752 2.413 3.274 . 0 0 "[ . 1 . 2]" 1
102 1 13 PRO HD3 1 14 PHE H . . 5.500 4.175 4.057 4.275 . 0 0 "[ . 1 . 2]" 1
103 1 13 PRO HD3 1 35 MET ME . . 5.500 4.638 4.240 5.021 . 0 0 "[ . 1 . 2]" 1
104 1 13 PRO HD3 1 38 TRP HE3 . . 5.500 2.989 2.521 3.339 . 0 0 "[ . 1 . 2]" 1
105 1 13 PRO HG2 1 14 PHE H . . 5.500 5.183 5.076 5.264 . 0 0 "[ . 1 . 2]" 1
106 1 13 PRO HG3 1 38 TRP HE3 . . 5.310 4.894 4.511 5.336 0.026 20 0 "[ . 1 . 2]" 1
107 1 13 PRO HG3 1 43 ALA H . . 5.500 5.251 4.430 5.552 0.052 17 0 "[ . 1 . 2]" 1
108 1 14 PHE H 1 14 PHE HB2 . . 4.130 2.394 2.280 2.484 . 0 0 "[ . 1 . 2]" 1
109 1 14 PHE H 1 14 PHE QD . . 4.010 2.885 2.345 3.172 . 0 0 "[ . 1 . 2]" 1
110 1 14 PHE H 1 14 PHE QE . . 5.500 4.503 4.357 4.627 . 0 0 "[ . 1 . 2]" 1
111 1 14 PHE H 1 18 ILE MD . . 5.500 3.785 3.421 4.139 . 0 0 "[ . 1 . 2]" 1
112 1 14 PHE HA 1 14 PHE QD . . 4.200 2.281 2.179 2.425 . 0 0 "[ . 1 . 2]" 1
113 1 14 PHE HA 1 14 PHE QE . . 4.520 4.468 4.417 4.526 0.006 12 0 "[ . 1 . 2]" 1
114 1 14 PHE HA 1 18 ILE MD . . 5.500 2.848 2.666 3.030 . 0 0 "[ . 1 . 2]" 1
115 1 14 PHE HA 1 18 ILE HG13 . . 4.940 4.983 4.942 5.038 0.098 9 0 "[ . 1 . 2]" 1
116 1 14 PHE HB2 1 18 ILE MD . . 5.430 4.727 4.612 4.839 . 0 0 "[ . 1 . 2]" 1
117 1 14 PHE HB3 1 18 ILE MD . . 5.500 4.389 4.222 4.504 . 0 0 "[ . 1 . 2]" 1
118 1 14 PHE QD 1 18 ILE H . . 5.500 4.548 4.103 5.311 . 0 0 "[ . 1 . 2]" 1
119 1 14 PHE QD 1 18 ILE MD . . 3.660 2.195 2.020 2.342 . 0 0 "[ . 1 . 2]" 1
120 1 14 PHE QE 1 18 ILE MD . . 4.190 2.142 1.989 2.298 . 0 0 "[ . 1 . 2]" 1
121 1 14 PHE QE 1 18 ILE MG . . 5.400 4.885 4.607 5.122 . 0 0 "[ . 1 . 2]" 1
122 1 14 PHE QE 1 20 PRO HA . . 4.810 3.888 3.308 4.742 . 0 0 "[ . 1 . 2]" 1
123 1 14 PHE QE 1 20 PRO HB2 . . 4.920 4.553 4.052 4.764 . 0 0 "[ . 1 . 2]" 1
124 1 14 PHE QE 1 21 GLN HE22 . . 5.500 5.633 5.117 5.874 0.374 14 0 "[ . 1 . 2]" 1
125 1 14 PHE QE 1 23 PHE QE . . 4.710 2.941 2.221 4.523 . 0 0 "[ . 1 . 2]" 1
126 1 14 PHE QE 1 35 MET ME . . 4.320 3.527 3.147 3.839 . 0 0 "[ . 1 . 2]" 1
127 1 14 PHE QE 1 38 TRP HH2 . . 4.550 2.990 2.066 3.524 . 0 0 "[ . 1 . 2]" 1
128 1 14 PHE QE 1 38 TRP HZ2 . . 5.270 5.004 4.297 5.350 0.080 12 0 "[ . 1 . 2]" 1
129 1 14 PHE HZ 1 19 ASP HA . . 4.860 4.883 4.633 4.943 0.083 6 0 "[ . 1 . 2]" 1
130 1 14 PHE HZ 1 20 PRO HA . . 4.950 3.635 3.162 4.154 . 0 0 "[ . 1 . 2]" 1
131 1 14 PHE HZ 1 20 PRO HB2 . . 4.910 3.964 3.758 4.133 . 0 0 "[ . 1 . 2]" 1
132 1 14 PHE HZ 1 20 PRO HG2 . . 4.820 4.489 4.119 4.802 . 0 0 "[ . 1 . 2]" 1
133 1 14 PHE HZ 1 20 PRO HG3 . . 5.310 3.074 2.531 3.638 . 0 0 "[ . 1 . 2]" 1
134 1 14 PHE HZ 1 23 PHE QE . . 4.910 2.566 2.035 3.981 . 0 0 "[ . 1 . 2]" 1
135 1 14 PHE HZ 1 35 MET ME . . 3.990 3.322 2.458 3.758 . 0 0 "[ . 1 . 2]" 1
136 1 14 PHE HZ 1 38 TRP HH2 . . 3.660 3.643 3.392 3.764 0.104 11 0 "[ . 1 . 2]" 1
137 1 14 PHE HZ 1 38 TRP HZ3 . . 4.930 2.754 2.448 3.112 . 0 0 "[ . 1 . 2]" 1
138 1 15 PRO HD2 1 16 PRO HA . . 5.110 5.171 5.134 5.198 0.088 16 0 "[ . 1 . 2]" 1
139 1 15 PRO HD2 1 16 PRO HB3 . . 4.750 4.597 4.552 4.673 . 0 0 "[ . 1 . 2]" 1
140 1 16 PRO HA 1 17 ASP H . . 3.490 2.362 2.305 2.469 . 0 0 "[ . 1 . 2]" 1
141 1 16 PRO HA 1 18 ILE H . . 4.480 3.757 3.719 3.788 . 0 0 "[ . 1 . 2]" 1
142 1 16 PRO HA 1 18 ILE MD . . 5.150 5.104 4.995 5.188 0.038 6 0 "[ . 1 . 2]" 1
143 1 16 PRO HB2 1 17 ASP H . . 4.170 2.480 2.224 2.626 . 0 0 "[ . 1 . 2]" 1
144 1 16 PRO HB2 1 17 ASP HA . . 4.710 4.178 3.957 4.316 . 0 0 "[ . 1 . 2]" 1
145 1 16 PRO HB2 1 18 ILE H . . 5.180 4.799 4.777 4.817 . 0 0 "[ . 1 . 2]" 1
146 1 16 PRO HB3 1 17 ASP H . . 4.450 3.457 3.318 3.528 . 0 0 "[ . 1 . 2]" 1
147 1 17 ASP H 1 17 ASP HB2 . . 4.190 3.552 3.107 3.598 . 0 0 "[ . 1 . 2]" 1
148 1 17 ASP H 1 18 ILE H . . 3.710 3.349 3.306 3.385 . 0 0 "[ . 1 . 2]" 1
149 1 17 ASP H 1 18 ILE MD . . 5.500 5.256 5.145 5.371 . 0 0 "[ . 1 . 2]" 1
150 1 17 ASP H 1 18 ILE HG13 . . 5.500 5.158 5.068 5.257 . 0 0 "[ . 1 . 2]" 1
151 1 17 ASP HA 2 9 THR MG . . 5.500 3.407 3.064 3.676 . 0 0 "[ . 1 . 2]" 1
152 1 17 ASP HB2 1 18 ILE H . . 4.960 3.303 3.145 4.064 . 0 0 "[ . 1 . 2]" 1
153 1 17 ASP HB2 1 18 ILE MD . . 5.010 4.025 3.783 5.038 0.028 14 0 "[ . 1 . 2]" 1
154 1 17 ASP HB2 1 18 ILE HG12 . . 5.500 4.390 4.276 5.526 0.026 14 0 "[ . 1 . 2]" 1
155 1 17 ASP HB2 1 18 ILE HG13 . . 4.470 2.827 2.684 4.015 . 0 0 "[ . 1 . 2]" 1
156 1 17 ASP HB2 1 18 ILE MG . . 4.450 4.036 3.857 4.510 0.060 14 0 "[ . 1 . 2]" 1
157 1 17 ASP HB2 2 9 THR MG . . 5.500 5.371 5.073 5.525 0.025 11 0 "[ . 1 . 2]" 1
158 1 17 ASP HB3 1 18 ILE H . . 5.060 4.057 2.935 4.183 . 0 0 "[ . 1 . 2]" 1
159 1 17 ASP HB3 1 18 ILE HA . . 5.230 5.019 4.794 5.056 . 0 0 "[ . 1 . 2]" 1
160 1 17 ASP HB3 2 9 THR MG . . 5.500 4.771 4.490 5.368 . 0 0 "[ . 1 . 2]" 1
161 1 18 ILE H 1 18 ILE HB . . 3.890 3.806 3.761 3.840 . 0 0 "[ . 1 . 2]" 1
162 1 18 ILE H 1 18 ILE MD . . 4.100 2.506 2.444 2.591 . 0 0 "[ . 1 . 2]" 1
163 1 18 ILE H 1 18 ILE HG12 . . 4.480 4.096 4.013 4.151 . 0 0 "[ . 1 . 2]" 1
164 1 18 ILE H 1 18 ILE HG13 . . 4.300 2.589 2.490 2.675 . 0 0 "[ . 1 . 2]" 1
165 1 18 ILE H 1 18 ILE MG . . 4.070 3.652 3.473 3.768 . 0 0 "[ . 1 . 2]" 1
166 1 18 ILE H 1 19 ASP H . . 5.070 4.393 4.370 4.405 . 0 0 "[ . 1 . 2]" 1
167 1 18 ILE H 1 19 ASP HA . . 5.500 4.900 4.841 4.954 . 0 0 "[ . 1 . 2]" 1
168 1 18 ILE HA 1 18 ILE MD . . 3.720 3.671 3.647 3.693 . 0 0 "[ . 1 . 2]" 1
169 1 18 ILE HB 1 19 ASP H . . 4.930 2.299 2.166 2.436 . 0 0 "[ . 1 . 2]" 1
170 1 18 ILE MD 1 19 ASP H . . 4.390 3.633 3.512 3.789 . 0 0 "[ . 1 . 2]" 1
171 1 18 ILE MD 1 19 ASP HB3 . . 5.500 5.539 5.459 5.578 0.078 5 0 "[ . 1 . 2]" 1
172 1 18 ILE MD 1 20 PRO HA . . 4.720 4.776 4.723 4.845 0.125 1 0 "[ . 1 . 2]" 1
173 1 18 ILE MD 1 20 PRO HD2 . . 5.500 5.040 4.816 5.248 . 0 0 "[ . 1 . 2]" 1
174 1 18 ILE MD 1 20 PRO HG3 . . 5.500 5.405 5.246 5.549 0.049 11 0 "[ . 1 . 2]" 1
175 1 18 ILE MD 1 38 TRP HE1 . . 4.870 4.944 4.908 4.972 0.102 1 0 "[ . 1 . 2]" 1
176 1 18 ILE MD 1 38 TRP HH2 . . 4.100 2.427 2.188 2.807 . 0 0 "[ . 1 . 2]" 1
177 1 18 ILE MD 1 38 TRP HZ2 . . 4.180 3.362 3.171 3.542 . 0 0 "[ . 1 . 2]" 1
178 1 18 ILE MD 2 8 LEU QD . . 5.500 5.015 4.732 5.242 . 0 0 "[ . 1 . 2]" 1
179 1 18 ILE HG12 1 38 TRP HE1 . . 5.500 4.027 3.866 4.165 . 0 0 "[ . 1 . 2]" 1
180 1 18 ILE HG12 1 38 TRP HZ2 . . 5.500 2.239 2.079 2.449 . 0 0 "[ . 1 . 2]" 1
181 1 18 ILE HG13 1 19 ASP H . . 5.500 4.846 4.771 4.904 . 0 0 "[ . 1 . 2]" 1
182 1 18 ILE HG13 1 38 TRP HE1 . . 5.350 5.285 5.060 5.381 0.031 17 0 "[ . 1 . 2]" 1
183 1 18 ILE MG 1 19 ASP H . . 3.780 2.927 2.759 3.208 . 0 0 "[ . 1 . 2]" 1
184 1 18 ILE MG 1 22 VAL QG . . 4.200 4.137 3.499 4.258 0.058 12 0 "[ . 1 . 2]" 1
185 1 18 ILE MG 1 23 PHE H . . 5.380 5.440 5.396 5.466 0.086 8 0 "[ . 1 . 2]" 1
186 1 18 ILE MG 1 23 PHE HB2 . . 5.250 4.642 4.201 5.278 0.028 17 0 "[ . 1 . 2]" 1
187 1 18 ILE MG 1 23 PHE HB3 . . 5.440 3.690 3.289 4.132 . 0 0 "[ . 1 . 2]" 1
188 1 18 ILE MG 1 23 PHE QD . . 5.500 3.636 2.771 5.067 . 0 0 "[ . 1 . 2]" 1
189 1 18 ILE MG 1 38 TRP HE1 . . 5.140 4.332 4.012 4.633 . 0 0 "[ . 1 . 2]" 1
190 1 18 ILE MG 1 38 TRP HH2 . . 4.570 3.597 3.358 3.972 . 0 0 "[ . 1 . 2]" 1
191 1 18 ILE MG 1 38 TRP HZ2 . . 3.740 2.478 2.151 2.911 . 0 0 "[ . 1 . 2]" 1
192 1 18 ILE MG 2 8 LEU HA . . 5.500 3.867 3.680 4.144 . 0 0 "[ . 1 . 2]" 1
193 1 18 ILE MG 2 8 LEU QB . . 5.500 1.913 1.866 2.015 . 0 0 "[ . 1 . 2]" 1
194 1 18 ILE MG 2 8 LEU QD . . 5.500 2.333 1.955 2.628 . 0 0 "[ . 1 . 2]" 1
195 1 18 ILE MG 2 8 LEU HG . . 5.500 4.318 4.060 4.614 . 0 0 "[ . 1 . 2]" 1
196 1 18 ILE MG 2 9 THR MG . . 5.500 3.520 3.011 3.940 . 0 0 "[ . 1 . 2]" 1
197 1 19 ASP H 1 22 VAL H . . 5.500 4.113 3.786 4.492 . 0 0 "[ . 1 . 2]" 1
198 1 19 ASP H 1 22 VAL QG . . 4.360 3.451 2.467 3.726 . 0 0 "[ . 1 . 2]" 1
199 1 19 ASP H 1 23 PHE HB3 . . 5.500 4.521 4.024 5.526 0.026 18 0 "[ . 1 . 2]" 1
200 1 19 ASP HA 1 20 PRO HD2 . . 3.840 2.357 2.228 2.493 . 0 0 "[ . 1 . 2]" 1
201 1 19 ASP HA 1 20 PRO HD3 . . 3.910 2.234 2.064 2.393 . 0 0 "[ . 1 . 2]" 1
202 1 19 ASP HA 1 20 PRO HG2 . . 5.040 4.505 4.430 4.600 . 0 0 "[ . 1 . 2]" 1
203 1 19 ASP HA 1 21 GLN H . . 4.870 3.872 3.775 3.939 . 0 0 "[ . 1 . 2]" 1
204 1 19 ASP HA 1 21 GLN HE21 . . 5.500 4.705 4.447 4.879 . 0 0 "[ . 1 . 2]" 1
205 1 19 ASP HA 1 21 GLN HE22 . . 4.860 4.677 4.233 4.951 0.091 15 0 "[ . 1 . 2]" 1
206 1 19 ASP HA 1 21 GLN HG2 . . 5.360 4.166 4.086 4.230 . 0 0 "[ . 1 . 2]" 1
207 1 19 ASP HA 1 22 VAL H . . 5.490 4.940 4.869 5.090 . 0 0 "[ . 1 . 2]" 1
208 1 19 ASP HB2 1 20 PRO HA . . 5.360 5.289 5.242 5.333 . 0 0 "[ . 1 . 2]" 1
209 1 19 ASP HB2 1 20 PRO HD3 . . 5.500 4.856 4.667 5.024 . 0 0 "[ . 1 . 2]" 1
210 1 19 ASP HB2 1 21 GLN HB2 . . 5.280 5.247 5.103 5.365 0.085 8 0 "[ . 1 . 2]" 1
211 1 19 ASP HB2 1 21 GLN HE21 . . 5.500 4.915 4.688 5.057 . 0 0 "[ . 1 . 2]" 1
212 1 19 ASP HB2 1 22 VAL H . . 5.100 3.633 3.491 3.841 . 0 0 "[ . 1 . 2]" 1
213 1 19 ASP HB2 1 22 VAL QG . . 4.000 2.133 2.066 2.229 . 0 0 "[ . 1 . 2]" 1
214 1 19 ASP HB3 1 20 PRO HD2 . . 5.480 2.656 2.518 2.806 . 0 0 "[ . 1 . 2]" 1
215 1 19 ASP HB3 1 21 GLN H . . 5.500 2.901 2.690 3.088 . 0 0 "[ . 1 . 2]" 1
216 1 19 ASP HB3 1 22 VAL H . . 5.080 4.206 4.093 4.358 . 0 0 "[ . 1 . 2]" 1
217 1 19 ASP HB3 1 22 VAL HB . . 4.600 4.639 4.596 4.679 0.079 18 0 "[ . 1 . 2]" 1
218 1 19 ASP HB3 1 22 VAL QG . . 3.950 3.171 3.057 3.558 . 0 0 "[ . 1 . 2]" 1
219 1 20 PRO HA 1 21 GLN HA . . 5.180 4.732 4.445 4.843 . 0 0 "[ . 1 . 2]" 1
220 1 20 PRO HA 1 23 PHE H . . 4.510 3.232 3.039 3.405 . 0 0 "[ . 1 . 2]" 1
221 1 20 PRO HA 1 23 PHE HB2 . . 5.120 5.254 5.196 5.342 0.222 6 0 "[ . 1 . 2]" 1
222 1 20 PRO HA 1 24 TYR H . . 4.660 3.512 3.063 3.782 . 0 0 "[ . 1 . 2]" 1
223 1 20 PRO HA 1 24 TYR QD . . 4.630 4.099 3.800 4.366 . 0 0 "[ . 1 . 2]" 1
224 1 20 PRO HA 1 24 TYR QE . . 4.630 4.364 4.164 4.571 . 0 0 "[ . 1 . 2]" 1
225 1 20 PRO HB2 1 23 PHE QE . . 5.020 4.007 2.880 4.374 . 0 0 "[ . 1 . 2]" 1
226 1 20 PRO HB2 1 24 TYR QD . . 4.920 2.778 2.305 3.360 . 0 0 "[ . 1 . 2]" 1
227 1 20 PRO HB2 1 24 TYR QE . . 4.510 2.506 2.250 2.872 . 0 0 "[ . 1 . 2]" 1
228 1 20 PRO HB3 1 21 GLN H . . 4.250 4.329 4.252 4.508 0.258 6 0 "[ . 1 . 2]" 1
229 1 20 PRO HB3 1 24 TYR H . . 5.500 5.233 5.019 5.527 0.027 8 0 "[ . 1 . 2]" 1
230 1 20 PRO HB3 1 24 TYR QD . . 4.430 4.121 3.577 4.496 0.066 17 0 "[ . 1 . 2]" 1
231 1 20 PRO HB3 1 24 TYR QE . . 4.670 3.324 2.606 3.715 . 0 0 "[ . 1 . 2]" 1
232 1 20 PRO HD2 1 21 GLN H . . 4.470 2.799 2.474 3.573 . 0 0 "[ . 1 . 2]" 1
233 1 20 PRO HD3 1 21 GLN H . . 4.820 3.887 3.710 4.247 . 0 0 "[ . 1 . 2]" 1
234 1 20 PRO HD3 1 22 VAL H . . 5.500 5.457 5.390 5.583 0.083 8 0 "[ . 1 . 2]" 1
235 1 20 PRO HG2 1 21 GLN H . . 4.820 3.125 2.575 4.162 . 0 0 "[ . 1 . 2]" 1
236 1 21 GLN H 1 21 GLN QB . . 3.340 2.829 2.647 3.206 . 0 0 "[ . 1 . 2]" 1
237 1 21 GLN H 1 21 GLN HB3 . . 3.390 2.973 2.735 3.472 0.082 14 0 "[ . 1 . 2]" 1
238 1 21 GLN H 1 21 GLN HE21 . . 5.500 1.902 1.696 2.500 . 0 0 "[ . 1 . 2]" 1
239 1 21 GLN H 1 21 GLN HE22 . . 4.830 3.278 3.006 4.046 . 0 0 "[ . 1 . 2]" 1
240 1 21 GLN H 1 21 GLN HG2 . . 3.730 1.898 1.776 1.996 . 0 0 "[ . 1 . 2]" 1
241 1 21 GLN H 1 21 GLN HG3 . . 3.650 3.396 3.255 3.604 . 0 0 "[ . 1 . 2]" 1
242 1 21 GLN H 1 22 VAL H . . 3.540 2.579 1.732 2.947 . 0 0 "[ . 1 . 2]" 1
243 1 21 GLN H 1 22 VAL HB . . 5.330 4.637 3.894 4.942 . 0 0 "[ . 1 . 2]" 1
244 1 21 GLN H 1 22 VAL QG . . 4.050 3.456 2.966 4.035 . 0 0 "[ . 1 . 2]" 1
245 1 21 GLN H 1 23 PHE H . . 5.020 3.965 3.034 4.340 . 0 0 "[ . 1 . 2]" 1
246 1 21 GLN HA 1 21 GLN HE21 . . 5.240 3.238 2.987 3.425 . 0 0 "[ . 1 . 2]" 1
247 1 21 GLN HA 1 21 GLN HE22 . . 5.500 4.905 4.644 5.118 . 0 0 "[ . 1 . 2]" 1
248 1 21 GLN HA 1 21 GLN HG2 . . 4.190 3.556 3.544 3.575 . 0 0 "[ . 1 . 2]" 1
249 1 21 GLN HA 1 22 VAL QG . . 5.040 4.265 4.141 4.820 . 0 0 "[ . 1 . 2]" 1
250 1 21 GLN HA 1 23 PHE H . . 5.500 4.103 3.781 4.737 . 0 0 "[ . 1 . 2]" 1
251 1 21 GLN HA 1 24 TYR H . . 5.000 3.800 3.459 4.320 . 0 0 "[ . 1 . 2]" 1
252 1 21 GLN HA 1 24 TYR HB2 . . 5.030 3.157 2.422 3.470 . 0 0 "[ . 1 . 2]" 1
253 1 21 GLN HA 1 24 TYR HB3 . . 4.990 4.748 3.942 5.051 0.061 13 0 "[ . 1 . 2]" 1
254 1 21 GLN HA 1 24 TYR QD . . 4.530 3.857 2.753 4.266 . 0 0 "[ . 1 . 2]" 1
255 1 21 GLN HA 1 25 GLU H . . 4.970 4.849 4.203 5.057 0.087 12 0 "[ . 1 . 2]" 1
256 1 21 GLN HA 1 25 GLU HG2 . . 5.500 4.254 3.092 5.504 0.004 17 0 "[ . 1 . 2]" 1
257 1 21 GLN QB 1 21 GLN HE22 . . 4.640 3.293 3.211 3.373 . 0 0 "[ . 1 . 2]" 1
258 1 21 GLN HB2 1 21 GLN HG2 . . 3.020 2.818 2.771 2.864 . 0 0 "[ . 1 . 2]" 1
259 1 21 GLN HB2 1 22 VAL HA . . 4.820 4.643 4.485 4.778 . 0 0 "[ . 1 . 2]" 1
260 1 21 GLN HB2 1 22 VAL QG . . 5.500 3.642 3.303 4.704 . 0 0 "[ . 1 . 2]" 1
261 1 21 GLN HB3 1 21 GLN HE22 . . 5.170 3.354 3.265 3.441 . 0 0 "[ . 1 . 2]" 1
262 1 21 GLN HE21 1 22 VAL QG . . 5.500 4.749 4.542 5.407 . 0 0 "[ . 1 . 2]" 1
263 1 21 GLN HE21 1 24 TYR QD . . 5.060 4.637 3.856 5.111 0.051 11 0 "[ . 1 . 2]" 1
264 1 21 GLN HE22 1 21 GLN HG2 . . 3.930 3.761 3.716 3.793 . 0 0 "[ . 1 . 2]" 1
265 1 21 GLN HE22 1 21 GLN HG3 . . 4.090 4.158 4.119 4.205 0.115 20 0 "[ . 1 . 2]" 1
266 1 21 GLN HG2 1 22 VAL H . . 4.560 3.026 2.865 3.171 . 0 0 "[ . 1 . 2]" 1
267 1 21 GLN HG2 1 22 VAL HA . . 5.170 4.635 4.502 4.733 . 0 0 "[ . 1 . 2]" 1
268 1 21 GLN HG2 1 22 VAL QG . . 4.930 2.381 2.106 3.352 . 0 0 "[ . 1 . 2]" 1
269 1 21 GLN HG3 1 22 VAL H . . 4.710 4.499 4.353 4.596 . 0 0 "[ . 1 . 2]" 1
270 1 21 GLN HG3 1 22 VAL HA . . 5.500 5.291 5.206 5.372 . 0 0 "[ . 1 . 2]" 1
271 1 21 GLN HG3 1 22 VAL QG . . 5.360 3.031 2.773 4.171 . 0 0 "[ . 1 . 2]" 1
272 1 22 VAL H 1 22 VAL HB . . 3.650 2.771 2.664 3.149 . 0 0 "[ . 1 . 2]" 1
273 1 22 VAL H 1 22 VAL QG . . 3.330 2.601 2.254 2.711 . 0 0 "[ . 1 . 2]" 1
274 1 22 VAL H 1 23 PHE H . . 3.910 1.788 1.713 1.882 . 0 0 "[ . 1 . 2]" 1
275 1 22 VAL H 1 23 PHE HA . . 5.170 4.531 4.480 4.579 . 0 0 "[ . 1 . 2]" 1
276 1 22 VAL H 1 23 PHE HB2 . . 5.320 5.419 5.337 5.484 0.164 7 0 "[ . 1 . 2]" 1
277 1 22 VAL H 1 23 PHE HB3 . . 5.500 4.165 3.999 4.593 . 0 0 "[ . 1 . 2]" 1
278 1 22 VAL H 2 8 LEU HA . . 5.500 5.629 5.589 5.663 0.163 20 0 "[ . 1 . 2]" 1
279 1 22 VAL HA 1 22 VAL QG . . 3.170 2.112 2.081 2.246 . 0 0 "[ . 1 . 2]" 1
280 1 22 VAL HA 1 23 PHE HA . . 4.890 4.462 4.384 4.600 . 0 0 "[ . 1 . 2]" 1
281 1 22 VAL HA 1 25 GLU H . . 4.670 4.094 3.259 4.383 . 0 0 "[ . 1 . 2]" 1
282 1 22 VAL HA 1 25 GLU HG2 . . 4.890 3.372 2.368 4.778 . 0 0 "[ . 1 . 2]" 1
283 1 22 VAL HA 1 25 GLU HG3 . . 4.910 2.851 2.394 3.293 . 0 0 "[ . 1 . 2]" 1
284 1 22 VAL HA 2 8 LEU QD . . 6.500 4.865 4.610 5.198 . 0 0 "[ . 1 . 2]" 1
285 1 22 VAL HB 1 23 PHE H . . 4.360 3.609 3.206 4.369 0.009 11 0 "[ . 1 . 2]" 1
286 1 22 VAL HB 2 8 LEU HA . . 5.500 3.520 3.144 4.879 . 0 0 "[ . 1 . 2]" 1
287 1 22 VAL QG 1 23 PHE H . . 4.270 3.539 2.579 3.704 . 0 0 "[ . 1 . 2]" 1
288 1 22 VAL QG 1 23 PHE HA . . 4.560 4.033 3.414 4.264 . 0 0 "[ . 1 . 2]" 1
289 1 22 VAL QG 1 24 TYR H . . 5.500 4.764 4.292 4.959 . 0 0 "[ . 1 . 2]" 1
290 1 22 VAL QG 1 25 GLU H . . 5.500 4.826 4.163 5.067 . 0 0 "[ . 1 . 2]" 1
291 1 22 VAL QG 1 25 GLU HB2 . . 5.430 4.384 3.318 4.841 . 0 0 "[ . 1 . 2]" 1
292 1 22 VAL QG 2 6 LYS HB2 . . 5.500 5.092 4.399 5.475 . 0 0 "[ . 1 . 2]" 1
293 1 22 VAL QG 2 6 LYS HB3 . . 5.500 4.537 3.950 5.087 . 0 0 "[ . 1 . 2]" 1
294 1 22 VAL QG 2 6 LYS QD . . 5.500 2.852 1.959 3.718 . 0 0 "[ . 1 . 2]" 1
295 1 22 VAL QG 2 6 LYS QE . . 5.500 3.724 2.131 4.461 . 0 0 "[ . 1 . 2]" 1
296 1 22 VAL QG 2 6 LYS HG2 . . 5.500 2.969 2.367 3.535 . 0 0 "[ . 1 . 2]" 1
297 1 22 VAL QG 2 8 LEU HA . . 5.500 2.006 1.912 2.126 . 0 0 "[ . 1 . 2]" 1
298 1 22 VAL QG 2 8 LEU QD . . 5.500 2.764 2.512 2.919 . 0 0 "[ . 1 . 2]" 1
299 1 22 VAL QG 2 10 GLY HA2 . . 5.500 2.584 2.159 2.942 . 0 0 "[ . 1 . 2]" 1
300 1 22 VAL QG 2 10 GLY HA3 . . 5.500 3.048 2.827 3.358 . 0 0 "[ . 1 . 2]" 1
301 1 23 PHE H 1 23 PHE QD . . 4.820 2.973 2.101 3.192 . 0 0 "[ . 1 . 2]" 1
302 1 23 PHE H 1 24 TYR H . . 4.390 1.962 1.811 2.388 . 0 0 "[ . 1 . 2]" 1
303 1 23 PHE H 1 24 TYR HA . . 5.320 4.693 4.566 5.090 . 0 0 "[ . 1 . 2]" 1
304 1 23 PHE HA 1 23 PHE QD . . 4.420 3.660 3.587 3.759 . 0 0 "[ . 1 . 2]" 1
305 1 23 PHE HA 1 25 GLU H . . 5.500 3.215 2.980 3.644 . 0 0 "[ . 1 . 2]" 1
306 1 23 PHE HA 1 26 LEU H . . 5.410 5.129 3.712 5.441 0.031 15 0 "[ . 1 . 2]" 1
307 1 23 PHE HA 1 26 LEU QD . . 3.790 2.716 2.112 3.002 . 0 0 "[ . 1 . 2]" 1
308 1 23 PHE HA 1 26 LEU HG . . 4.850 3.394 2.840 4.865 0.015 14 0 "[ . 1 . 2]" 1
309 1 23 PHE HA 1 34 LEU QD . . 5.190 4.085 3.876 4.424 . 0 0 "[ . 1 . 2]" 1
310 1 23 PHE HA 2 8 LEU QD . . 5.500 3.142 2.657 3.539 . 0 0 "[ . 1 . 2]" 1
311 1 23 PHE HB2 1 24 TYR H . . 4.730 4.362 4.160 4.523 . 0 0 "[ . 1 . 2]" 1
312 1 23 PHE HB3 1 25 GLU H . . 5.500 5.210 5.081 5.372 . 0 0 "[ . 1 . 2]" 1
313 1 23 PHE QD 1 24 TYR H . . 4.950 3.623 2.125 3.942 . 0 0 "[ . 1 . 2]" 1
314 1 23 PHE QD 1 24 TYR HA . . 5.000 3.858 3.512 4.154 . 0 0 "[ . 1 . 2]" 1
315 1 23 PHE QD 1 24 TYR QD . . 4.780 3.323 2.726 3.770 . 0 0 "[ . 1 . 2]" 1
316 1 23 PHE QD 1 26 LEU QD . . 5.250 3.318 2.410 4.379 . 0 0 "[ . 1 . 2]" 1
317 1 23 PHE QD 1 31 GLN H . . 5.500 4.876 4.707 5.136 . 0 0 "[ . 1 . 2]" 1
318 1 23 PHE QD 1 31 GLN HB2 . . 5.040 4.095 2.628 4.691 . 0 0 "[ . 1 . 2]" 1
319 1 23 PHE QD 1 34 LEU QD . . 5.020 2.453 2.016 2.691 . 0 0 "[ . 1 . 2]" 1
320 1 23 PHE QD 1 34 LEU HG . . 5.460 4.938 4.267 5.180 . 0 0 "[ . 1 . 2]" 1
321 1 23 PHE QD 1 35 MET ME . . 5.500 4.289 4.083 4.432 . 0 0 "[ . 1 . 2]" 1
322 1 23 PHE HD2 2 8 LEU QD . . 5.500 3.927 2.706 4.480 . 0 0 "[ . 1 . 2]" 1
323 1 23 PHE QE 1 24 TYR H . . 4.950 4.663 3.679 4.967 0.017 12 0 "[ . 1 . 2]" 1
324 1 23 PHE QE 1 31 GLN HA . . 4.140 3.131 2.637 3.872 . 0 0 "[ . 1 . 2]" 1
325 1 23 PHE QE 1 31 GLN HB2 . . 4.890 4.131 3.785 4.488 . 0 0 "[ . 1 . 2]" 1
326 1 23 PHE QE 1 34 LEU H . . 5.500 4.941 3.924 5.488 . 0 0 "[ . 1 . 2]" 1
327 1 23 PHE QE 1 34 LEU QD . . 4.280 3.352 3.074 3.588 . 0 0 "[ . 1 . 2]" 1
328 1 23 PHE QE 1 35 MET H . . 5.190 4.146 3.171 4.467 . 0 0 "[ . 1 . 2]" 1
329 1 23 PHE QE 1 35 MET HA . . 4.940 4.938 4.333 5.045 0.105 17 0 "[ . 1 . 2]" 1
330 1 23 PHE QE 1 35 MET ME . . 4.890 2.530 2.155 2.797 . 0 0 "[ . 1 . 2]" 1
331 1 23 PHE QE 1 35 MET QG . . 4.740 2.786 2.252 2.985 . 0 0 "[ . 1 . 2]" 1
332 1 24 TYR H 1 24 TYR HB2 . . 4.000 2.327 2.254 2.387 . 0 0 "[ . 1 . 2]" 1
333 1 24 TYR H 1 24 TYR HB3 . . 4.060 3.562 3.517 3.596 . 0 0 "[ . 1 . 2]" 1
334 1 24 TYR H 1 24 TYR QD . . 3.800 3.329 2.874 3.534 . 0 0 "[ . 1 . 2]" 1
335 1 24 TYR H 1 24 TYR QE . . 5.500 4.976 4.738 5.332 . 0 0 "[ . 1 . 2]" 1
336 1 24 TYR H 1 25 GLU H . . 3.860 2.560 2.437 2.726 . 0 0 "[ . 1 . 2]" 1
337 1 24 TYR H 1 25 GLU HA . . 5.500 5.085 4.864 5.224 . 0 0 "[ . 1 . 2]" 1
338 1 24 TYR H 1 25 GLU HG2 . . 5.500 4.171 3.306 5.371 . 0 0 "[ . 1 . 2]" 1
339 1 24 TYR H 1 26 LEU H . . 5.500 4.878 4.396 5.119 . 0 0 "[ . 1 . 2]" 1
340 1 24 TYR H 1 26 LEU QD . . 5.500 4.692 3.566 5.115 . 0 0 "[ . 1 . 2]" 1
341 1 24 TYR H 1 31 GLN HB3 . . 5.500 5.628 5.554 5.751 0.251 8 0 "[ . 1 . 2]" 1
342 1 24 TYR HA 1 24 TYR QD . . 3.270 1.928 1.875 2.066 . 0 0 "[ . 1 . 2]" 1
343 1 24 TYR HA 1 24 TYR QE . . 4.140 4.249 4.216 4.279 0.139 7 0 "[ . 1 . 2]" 1
344 1 24 TYR HA 1 26 LEU H . . 4.290 3.274 3.047 3.423 . 0 0 "[ . 1 . 2]" 1
345 1 24 TYR HA 1 26 LEU QD . . 5.460 4.162 3.380 4.953 . 0 0 "[ . 1 . 2]" 1
346 1 24 TYR HA 1 31 GLN HE21 . . 4.510 3.536 3.093 4.156 . 0 0 "[ . 1 . 2]" 1
347 1 24 TYR HA 1 31 GLN HE22 . . 5.310 3.607 3.252 4.317 . 0 0 "[ . 1 . 2]" 1
348 1 24 TYR HB2 1 25 GLU H . . 5.100 3.474 3.132 3.734 . 0 0 "[ . 1 . 2]" 1
349 1 24 TYR HB2 1 26 LEU H . . 5.500 5.016 4.866 5.217 . 0 0 "[ . 1 . 2]" 1
350 1 24 TYR HB3 1 25 GLU H . . 4.990 4.130 3.887 4.226 . 0 0 "[ . 1 . 2]" 1
351 1 24 TYR QD 1 31 GLN H . . 5.500 5.537 5.370 5.583 0.083 13 0 "[ . 1 . 2]" 1
352 1 24 TYR QD 1 31 GLN HA . . 4.910 4.037 3.452 4.334 . 0 0 "[ . 1 . 2]" 1
353 1 24 TYR QD 1 31 GLN HB2 . . 5.500 3.423 2.214 4.002 . 0 0 "[ . 1 . 2]" 1
354 1 24 TYR QD 1 31 GLN HE21 . . 4.640 4.510 4.105 4.935 0.295 11 0 "[ . 1 . 2]" 1
355 1 24 TYR QD 1 31 GLN HE22 . . 5.460 4.355 3.877 4.682 . 0 0 "[ . 1 . 2]" 1
356 1 24 TYR QD 1 35 MET ME . . 4.890 4.923 4.657 4.985 0.095 8 0 "[ . 1 . 2]" 1
357 1 24 TYR QE 1 35 MET ME . . 4.280 3.426 3.132 3.756 . 0 0 "[ . 1 . 2]" 1
358 1 25 GLU H 1 25 GLU HB2 . . 4.100 2.425 2.385 2.453 . 0 0 "[ . 1 . 2]" 1
359 1 25 GLU H 1 25 GLU HB3 . . 4.050 3.575 3.545 3.592 . 0 0 "[ . 1 . 2]" 1
360 1 25 GLU H 1 25 GLU HG2 . . 4.310 2.605 2.133 3.419 . 0 0 "[ . 1 . 2]" 1
361 1 25 GLU H 1 25 GLU HG3 . . 4.350 3.137 2.205 3.676 . 0 0 "[ . 1 . 2]" 1
362 1 25 GLU H 1 26 LEU H . . 3.810 3.183 2.521 3.425 . 0 0 "[ . 1 . 2]" 1
363 1 25 GLU H 1 26 LEU HA . . 5.500 5.295 5.014 5.416 . 0 0 "[ . 1 . 2]" 1
364 1 25 GLU H 1 26 LEU QD . . 5.370 3.858 2.186 4.318 . 0 0 "[ . 1 . 2]" 1
365 1 25 GLU H 1 26 LEU HG . . 5.080 3.639 3.022 5.190 0.110 12 0 "[ . 1 . 2]" 1
366 1 25 GLU HA 1 25 GLU HG2 . . 4.010 2.883 2.398 3.169 . 0 0 "[ . 1 . 2]" 1
367 1 25 GLU HA 1 25 GLU HG3 . . 4.110 3.547 3.130 3.768 . 0 0 "[ . 1 . 2]" 1
368 1 25 GLU HB2 2 8 LEU QD . . 5.500 5.412 4.930 5.523 0.023 17 0 "[ . 1 . 2]" 1
369 1 25 GLU HB3 1 26 LEU H . . 5.260 4.476 4.120 4.518 . 0 0 "[ . 1 . 2]" 1
370 1 26 LEU H 1 26 LEU QD . . 4.170 3.471 2.475 3.713 . 0 0 "[ . 1 . 2]" 1
371 1 26 LEU H 1 26 LEU HG . . 4.070 3.263 2.240 4.171 0.101 14 0 "[ . 1 . 2]" 1
372 1 26 LEU H 1 27 PRO HD2 . . 5.500 4.770 4.690 4.809 . 0 0 "[ . 1 . 2]" 1
373 1 26 LEU H 1 27 PRO HD3 . . 4.930 5.024 4.988 5.095 0.165 5 0 "[ . 1 . 2]" 1
374 1 26 LEU H 1 31 GLN HE21 . . 5.500 3.049 2.186 4.188 . 0 0 "[ . 1 . 2]" 1
375 1 26 LEU HA 1 26 LEU QD . . 3.780 2.196 2.015 2.731 . 0 0 "[ . 1 . 2]" 1
376 1 26 LEU HA 1 27 PRO HG2 . . 4.920 4.651 4.593 4.704 . 0 0 "[ . 1 . 2]" 1
377 1 26 LEU HA 1 27 PRO HG3 . . 4.650 4.731 4.651 4.779 0.129 18 0 "[ . 1 . 2]" 1
378 1 26 LEU HB2 1 27 PRO HD2 . . 4.290 3.541 3.469 3.580 . 0 0 "[ . 1 . 2]" 1
379 1 26 LEU HB2 1 27 PRO HD3 . . 4.730 4.655 4.578 4.740 0.010 18 0 "[ . 1 . 2]" 1
380 1 26 LEU HB3 1 27 PRO HD3 . . 5.470 3.449 3.388 3.490 . 0 0 "[ . 1 . 2]" 1
381 1 26 LEU HB3 1 31 GLN HE21 . . 5.500 4.039 3.808 4.647 . 0 0 "[ . 1 . 2]" 1
382 1 26 LEU QD 1 27 PRO HD2 . . 3.920 2.656 2.366 3.325 . 0 0 "[ . 1 . 2]" 1
383 1 26 LEU QD 1 27 PRO HD3 . . 4.250 3.561 3.208 4.296 0.046 14 0 "[ . 1 . 2]" 1
384 1 26 LEU QD 1 30 VAL H . . 5.500 4.076 3.751 4.572 . 0 0 "[ . 1 . 2]" 1
385 1 26 LEU QD 1 30 VAL HA . . 4.960 4.447 3.841 4.982 0.022 3 0 "[ . 1 . 2]" 1
386 1 26 LEU QD 1 30 VAL HB . . 4.830 3.018 2.008 4.061 . 0 0 "[ . 1 . 2]" 1
387 1 26 LEU QD 1 30 VAL QG . . 3.360 1.932 1.741 2.148 . 0 0 "[ . 1 . 2]" 1
388 1 26 LEU QD 1 31 GLN H . . 5.500 3.478 3.083 4.207 . 0 0 "[ . 1 . 2]" 1
389 1 26 LEU QD 1 31 GLN HB2 . . 4.230 4.334 4.195 4.392 0.162 19 0 "[ . 1 . 2]" 1
390 1 26 LEU QD 2 8 LEU QD . . 5.500 3.376 2.816 3.788 . 0 0 "[ . 1 . 2]" 1
391 1 26 LEU QD 2 44 ILE HB . . 5.500 3.556 2.619 5.021 . 0 0 "[ . 1 . 2]" 1
392 1 26 LEU QD 2 44 ILE MD . . 5.500 2.192 1.904 3.476 . 0 0 "[ . 1 . 2]" 1
393 1 26 LEU QD 2 44 ILE HG13 . . 5.500 4.150 3.679 5.482 . 0 0 "[ . 1 . 2]" 1
394 1 26 LEU QD 2 44 ILE MG . . 5.500 2.862 2.101 4.463 . 0 0 "[ . 1 . 2]" 1
395 1 26 LEU QD 2 70 VAL HA . . 5.500 4.370 3.898 4.802 . 0 0 "[ . 1 . 2]" 1
396 1 26 LEU QD 2 70 VAL QG . . 5.500 2.124 1.843 2.796 . 0 0 "[ . 1 . 2]" 1
397 1 26 LEU HG 2 44 ILE MD . . 5.500 4.382 2.350 5.018 . 0 0 "[ . 1 . 2]" 1
398 1 26 LEU HG 2 70 VAL QG . . 5.500 4.134 3.067 5.108 . 0 0 "[ . 1 . 2]" 1
399 1 27 PRO HA 1 28 GLU H . . 3.190 2.228 2.045 2.448 . 0 0 "[ . 1 . 2]" 1
400 1 27 PRO HA 1 28 GLU HA . . 4.530 4.328 4.275 4.399 . 0 0 "[ . 1 . 2]" 1
401 1 27 PRO HA 1 28 GLU HB3 . . 4.880 5.107 4.537 5.238 0.358 15 0 "[ . 1 . 2]" 1
402 1 27 PRO HA 1 29 GLU H . . 4.660 4.095 3.998 4.241 . 0 0 "[ . 1 . 2]" 1
403 1 27 PRO HA 1 29 GLU QB . . 5.330 4.893 4.780 5.152 . 0 0 "[ . 1 . 2]" 1
404 1 27 PRO HA 1 30 VAL H . . 5.290 5.088 4.966 5.211 . 0 0 "[ . 1 . 2]" 1
405 1 27 PRO HA 1 31 GLN HE21 . . 5.500 3.400 2.847 3.803 . 0 0 "[ . 1 . 2]" 1
406 1 27 PRO QB 1 28 GLU H . . 4.240 3.082 2.922 3.253 . 0 0 "[ . 1 . 2]" 1
407 1 27 PRO QB 1 29 GLU H . . 4.670 2.654 2.539 2.790 . 0 0 "[ . 1 . 2]" 1
408 1 27 PRO QB 1 30 VAL H . . 4.770 4.196 4.091 4.299 . 0 0 "[ . 1 . 2]" 1
409 1 27 PRO HD2 1 29 GLU H . . 5.500 5.510 5.418 5.572 0.072 3 0 "[ . 1 . 2]" 1
410 1 27 PRO HD2 1 30 VAL H . . 5.500 4.430 4.013 4.647 . 0 0 "[ . 1 . 2]" 1
411 1 27 PRO HD2 1 30 VAL QG . . 4.400 3.065 2.414 4.165 . 0 0 "[ . 1 . 2]" 1
412 1 27 PRO HD2 1 31 GLN H . . 5.500 4.900 4.447 5.116 . 0 0 "[ . 1 . 2]" 1
413 1 27 PRO HD2 2 44 ILE MD . . 5.500 3.665 2.756 4.343 . 0 0 "[ . 1 . 2]" 1
414 1 27 PRO HD3 2 44 ILE MD . . 5.500 4.504 3.179 5.405 . 0 0 "[ . 1 . 2]" 1
415 1 27 PRO HG2 1 28 GLU H . . 5.500 4.674 4.579 4.775 . 0 0 "[ . 1 . 2]" 1
416 1 27 PRO HG2 1 30 VAL H . . 5.160 3.381 3.240 3.452 . 0 0 "[ . 1 . 2]" 1
417 1 27 PRO HG2 1 30 VAL QG . . 4.770 2.662 2.175 3.630 . 0 0 "[ . 1 . 2]" 1
418 1 28 GLU H 1 28 GLU HB2 . . 3.440 2.000 1.851 3.532 0.092 18 0 "[ . 1 . 2]" 1
419 1 28 GLU H 1 28 GLU HB3 . . 3.450 3.018 2.368 3.335 . 0 0 "[ . 1 . 2]" 1
420 1 28 GLU H 1 28 GLU HG2 . . 3.880 4.051 2.904 4.194 0.314 16 0 "[ . 1 . 2]" 1
421 1 28 GLU H 1 28 GLU HG3 . . 3.880 3.440 3.067 3.899 0.019 18 0 "[ . 1 . 2]" 1
422 1 28 GLU H 1 29 GLU H . . 4.090 2.947 2.689 3.369 . 0 0 "[ . 1 . 2]" 1
423 1 28 GLU H 1 30 VAL H . . 5.500 4.541 4.440 4.619 . 0 0 "[ . 1 . 2]" 1
424 1 28 GLU H 1 31 GLN H . . 5.500 4.723 4.300 4.902 . 0 0 "[ . 1 . 2]" 1
425 1 28 GLU H 1 31 GLN HB2 . . 5.020 5.104 4.925 5.349 0.329 20 0 "[ . 1 . 2]" 1
426 1 28 GLU H 1 31 GLN HE22 . . 5.500 3.931 2.915 4.546 . 0 0 "[ . 1 . 2]" 1
427 1 28 GLU H 1 32 LYS QB . . 5.260 5.326 5.123 5.436 0.176 16 0 "[ . 1 . 2]" 1
428 1 28 GLU H 1 32 LYS QD . . 5.500 5.144 4.845 5.595 0.095 5 0 "[ . 1 . 2]" 1
429 1 28 GLU HA 1 28 GLU HG2 . . 3.780 2.426 2.291 3.568 . 0 0 "[ . 1 . 2]" 1
430 1 28 GLU HA 1 28 GLU HG3 . . 3.880 2.532 2.331 4.063 0.183 18 0 "[ . 1 . 2]" 1
431 1 28 GLU HA 1 30 VAL H . . 5.220 3.713 3.352 3.991 . 0 0 "[ . 1 . 2]" 1
432 1 28 GLU HA 1 31 GLN H . . 4.480 3.121 2.549 3.423 . 0 0 "[ . 1 . 2]" 1
433 1 28 GLU HA 1 31 GLN HA . . 5.170 4.975 4.131 5.240 0.070 16 0 "[ . 1 . 2]" 1
434 1 28 GLU HA 1 31 GLN HB2 . . 4.310 2.914 2.343 4.345 0.035 20 0 "[ . 1 . 2]" 1
435 1 28 GLU HA 1 31 GLN HE21 . . 5.450 3.295 1.962 4.052 . 0 0 "[ . 1 . 2]" 1
436 1 28 GLU HA 1 31 GLN HE22 . . 5.250 3.834 3.308 4.186 . 0 0 "[ . 1 . 2]" 1
437 1 28 GLU HA 1 32 LYS H . . 4.800 3.357 3.173 3.583 . 0 0 "[ . 1 . 2]" 1
438 1 28 GLU HA 1 32 LYS QD . . 5.480 4.022 3.787 4.321 . 0 0 "[ . 1 . 2]" 1
439 1 28 GLU HB2 1 29 GLU H . . 3.760 3.254 3.113 3.913 0.153 18 0 "[ . 1 . 2]" 1
440 1 28 GLU HB2 1 29 GLU HA . . 4.970 5.114 4.773 5.280 0.310 5 0 "[ . 1 . 2]" 1
441 1 28 GLU HB2 1 32 LYS QE . . 4.250 4.263 3.942 4.346 0.096 15 0 "[ . 1 . 2]" 1
442 1 28 GLU HB3 1 29 GLU H . . 3.970 2.694 2.253 4.085 0.115 18 0 "[ . 1 . 2]" 1
443 1 28 GLU HB3 1 32 LYS H . . 5.210 4.782 4.504 5.104 . 0 0 "[ . 1 . 2]" 1
444 1 28 GLU HB3 1 32 LYS QD . . 4.970 2.765 2.245 3.889 . 0 0 "[ . 1 . 2]" 1
445 1 28 GLU HG2 1 31 GLN HE21 . . 5.500 5.436 4.334 5.971 0.471 15 0 "[ . 1 . 2]" 1
446 1 28 GLU HG2 1 32 LYS H . . 5.480 3.975 3.714 5.147 . 0 0 "[ . 1 . 2]" 1
447 1 28 GLU HG2 1 32 LYS QD . . 4.150 3.050 1.983 3.737 . 0 0 "[ . 1 . 2]" 1
448 1 28 GLU HG2 1 32 LYS QE . . 4.190 2.962 2.693 3.475 . 0 0 "[ . 1 . 2]" 1
449 1 28 GLU HG2 1 32 LYS HG2 . . 5.210 4.344 3.470 4.785 . 0 0 "[ . 1 . 2]" 1
450 1 28 GLU HG2 1 32 LYS HG3 . . 5.500 5.040 4.407 5.599 0.099 18 0 "[ . 1 . 2]" 1
451 1 28 GLU HG3 1 32 LYS H . . 5.300 5.169 4.853 5.446 0.146 18 0 "[ . 1 . 2]" 1
452 1 28 GLU HG3 1 32 LYS QD . . 4.950 4.328 2.229 4.956 0.006 10 0 "[ . 1 . 2]" 1
453 1 28 GLU HG3 1 32 LYS QE . . 4.360 4.311 3.459 4.483 0.123 16 0 "[ . 1 . 2]" 1
454 1 29 GLU H 1 29 GLU QB . . 3.210 2.127 2.109 2.192 . 0 0 "[ . 1 . 2]" 1
455 1 29 GLU H 1 29 GLU HG2 . . 4.300 4.343 4.295 4.402 0.102 18 0 "[ . 1 . 2]" 1
456 1 29 GLU H 1 29 GLU QG . . 3.800 3.866 3.857 3.882 0.082 8 0 "[ . 1 . 2]" 1
457 1 29 GLU H 1 29 GLU HG3 . . 4.690 4.336 4.284 4.398 . 0 0 "[ . 1 . 2]" 1
458 1 29 GLU H 1 30 VAL H . . 3.910 3.026 2.888 3.072 . 0 0 "[ . 1 . 2]" 1
459 1 29 GLU H 1 30 VAL HA . . 5.430 5.527 5.492 5.543 0.113 2 0 "[ . 1 . 2]" 1
460 1 29 GLU H 1 31 GLN H . . 5.120 4.235 4.036 4.330 . 0 0 "[ . 1 . 2]" 1
461 1 29 GLU H 1 32 LYS H . . 5.500 4.798 4.773 4.890 . 0 0 "[ . 1 . 2]" 1
462 1 29 GLU H 1 32 LYS QB . . 4.710 4.752 4.712 4.817 0.107 3 0 "[ . 1 . 2]" 1
463 1 29 GLU H 1 32 LYS HB3 . . 4.790 4.900 4.853 4.967 0.177 3 0 "[ . 1 . 2]" 1
464 1 29 GLU H 1 32 LYS QD . . 4.780 3.687 3.256 4.637 . 0 0 "[ . 1 . 2]" 1
465 1 29 GLU H 1 32 LYS QE . . 5.000 4.241 2.902 5.006 0.006 8 0 "[ . 1 . 2]" 1
466 1 29 GLU H 1 32 LYS HG3 . . 5.800 5.995 5.943 6.030 0.230 8 0 "[ . 1 . 2]" 1
467 1 29 GLU HA 1 29 GLU QG . . 3.870 2.474 2.307 2.583 . 0 0 "[ . 1 . 2]" 1
468 1 29 GLU HA 1 31 GLN H . . 5.500 4.844 4.724 4.909 . 0 0 "[ . 1 . 2]" 1
469 1 29 GLU HA 1 32 LYS QD . . 3.670 2.628 2.036 3.735 0.065 3 0 "[ . 1 . 2]" 1
470 1 29 GLU HA 1 32 LYS QE . . 4.140 3.291 1.763 4.230 0.090 8 0 "[ . 1 . 2]" 1
471 1 29 GLU HA 1 33 GLU H . . 4.810 4.817 4.645 4.903 0.093 10 0 "[ . 1 . 2]" 1
472 1 29 GLU QB 1 30 VAL H . . 4.090 3.178 3.070 3.260 . 0 0 "[ . 1 . 2]" 1
473 1 29 GLU QG 1 30 VAL H . . 4.240 3.864 3.630 3.949 . 0 0 "[ . 1 . 2]" 1
474 1 29 GLU QG 1 30 VAL HA . . 5.080 3.993 3.780 4.133 . 0 0 "[ . 1 . 2]" 1
475 1 29 GLU QG 1 30 VAL HB . . 4.680 4.281 3.499 4.815 0.135 4 0 "[ . 1 . 2]" 1
476 1 29 GLU QG 1 30 VAL QG . . 4.180 2.969 2.049 4.067 . 0 0 "[ . 1 . 2]" 1
477 1 29 GLU QG 1 31 GLN H . . 5.420 5.453 5.267 5.519 0.099 13 0 "[ . 1 . 2]" 1
478 1 29 GLU QG 1 32 LYS HG3 . . 5.500 5.487 5.366 5.607 0.107 18 0 "[ . 1 . 2]" 1
479 1 29 GLU HG2 1 30 VAL H . . 5.360 4.060 3.782 4.162 . 0 0 "[ . 1 . 2]" 1
480 1 29 GLU HG3 1 30 VAL H . . 5.500 4.851 4.680 4.935 . 0 0 "[ . 1 . 2]" 1
481 1 30 VAL H 1 30 VAL HB . . 4.000 3.084 2.539 3.833 . 0 0 "[ . 1 . 2]" 1
482 1 30 VAL H 1 30 VAL QG . . 3.940 2.477 2.148 2.959 . 0 0 "[ . 1 . 2]" 1
483 1 30 VAL H 1 31 GLN H . . 3.900 1.832 1.764 1.906 . 0 0 "[ . 1 . 2]" 1
484 1 30 VAL H 1 31 GLN HA . . 5.500 4.588 4.523 4.647 . 0 0 "[ . 1 . 2]" 1
485 1 30 VAL H 1 31 GLN HB2 . . 5.110 4.422 4.041 5.141 0.031 20 0 "[ . 1 . 2]" 1
486 1 30 VAL H 1 32 LYS H . . 5.220 3.211 3.091 3.323 . 0 0 "[ . 1 . 2]" 1
487 1 30 VAL H 1 32 LYS QB . . 4.720 4.615 4.501 4.761 0.041 18 0 "[ . 1 . 2]" 1
488 1 30 VAL H 1 33 GLU H . . 5.500 4.206 4.089 4.300 . 0 0 "[ . 1 . 2]" 1
489 1 30 VAL H 1 33 GLU HB2 . . 5.150 5.034 4.655 5.167 0.017 8 0 "[ . 1 . 2]" 1
490 1 30 VAL H 1 34 LEU QD . . 5.500 5.531 5.455 5.555 0.055 19 0 "[ . 1 . 2]" 1
491 1 30 VAL HA 1 30 VAL QG . . 3.270 2.215 2.079 2.384 . 0 0 "[ . 1 . 2]" 1
492 1 30 VAL HA 1 32 LYS H . . 5.280 3.740 3.417 4.021 . 0 0 "[ . 1 . 2]" 1
493 1 30 VAL HA 1 33 GLU H . . 4.070 2.855 2.715 3.025 . 0 0 "[ . 1 . 2]" 1
494 1 30 VAL HA 1 33 GLU HB2 . . 4.080 2.410 2.286 3.045 . 0 0 "[ . 1 . 2]" 1
495 1 30 VAL HA 1 33 GLU HB3 . . 4.020 3.694 2.367 4.057 0.037 1 0 "[ . 1 . 2]" 1
496 1 30 VAL HA 1 33 GLU QG . . 4.640 3.019 2.575 4.145 . 0 0 "[ . 1 . 2]" 1
497 1 30 VAL HA 1 34 LEU H . . 5.500 3.950 3.796 4.084 . 0 0 "[ . 1 . 2]" 1
498 1 30 VAL HB 1 31 GLN H . . 4.780 3.718 2.953 4.357 . 0 0 "[ . 1 . 2]" 1
499 1 30 VAL QG 1 31 GLN H . . 4.120 2.950 2.460 3.560 . 0 0 "[ . 1 . 2]" 1
500 1 30 VAL QG 1 31 GLN HA . . 4.650 3.638 3.299 4.248 . 0 0 "[ . 1 . 2]" 1
501 1 30 VAL QG 1 32 LYS H . . 5.240 4.228 4.002 4.576 . 0 0 "[ . 1 . 2]" 1
502 1 30 VAL QG 1 33 GLU H . . 4.940 4.024 3.833 4.239 . 0 0 "[ . 1 . 2]" 1
503 1 30 VAL QG 1 33 GLU HB2 . . 4.850 3.269 2.974 3.992 . 0 0 "[ . 1 . 2]" 1
504 1 30 VAL QG 1 33 GLU HB3 . . 4.880 4.018 2.962 4.651 . 0 0 "[ . 1 . 2]" 1
505 1 30 VAL QG 1 34 LEU H . . 5.500 4.085 3.773 4.793 . 0 0 "[ . 1 . 2]" 1
506 1 30 VAL QG 2 8 LEU QD . . 5.500 4.444 3.440 5.152 . 0 0 "[ . 1 . 2]" 1
507 1 30 VAL QG 2 42 ARG HD3 . . 5.500 3.874 2.485 5.031 . 0 0 "[ . 1 . 2]" 1
508 1 30 VAL QG 2 44 ILE HB . . 5.500 5.258 4.633 5.559 0.059 14 0 "[ . 1 . 2]" 1
509 1 30 VAL QG 2 44 ILE MD . . 5.500 2.501 2.096 2.717 . 0 0 "[ . 1 . 2]" 1
510 1 30 VAL QG 2 44 ILE HG13 . . 5.500 4.484 4.091 4.771 . 0 0 "[ . 1 . 2]" 1
511 1 30 VAL QG 2 44 ILE MG . . 5.500 4.234 3.469 4.734 . 0 0 "[ . 1 . 2]" 1
512 1 30 VAL QG 2 70 VAL QG . . 5.500 2.001 1.790 2.754 . 0 0 "[ . 1 . 2]" 1
513 1 31 GLN H 1 32 LYS H . . 4.340 2.451 2.350 2.650 . 0 0 "[ . 1 . 2]" 1
514 1 31 GLN H 1 32 LYS HA . . 5.500 5.130 5.049 5.270 . 0 0 "[ . 1 . 2]" 1
515 1 31 GLN H 1 33 GLU H . . 5.280 3.916 3.768 4.056 . 0 0 "[ . 1 . 2]" 1
516 1 31 GLN HA 1 33 GLU H . . 4.910 4.268 4.100 4.443 . 0 0 "[ . 1 . 2]" 1
517 1 31 GLN HA 1 34 LEU H . . 5.340 3.715 3.470 4.026 . 0 0 "[ . 1 . 2]" 1
518 1 31 GLN HA 1 34 LEU HB2 . . 5.400 2.836 2.533 3.339 . 0 0 "[ . 1 . 2]" 1
519 1 31 GLN HA 1 34 LEU QD . . 4.620 3.110 2.920 3.623 . 0 0 "[ . 1 . 2]" 1
520 1 31 GLN HB2 1 31 GLN HE22 . . 5.500 4.220 3.811 4.499 . 0 0 "[ . 1 . 2]" 1
521 1 31 GLN HB2 1 32 LYS H . . 5.170 3.101 2.428 4.612 . 0 0 "[ . 1 . 2]" 1
522 1 31 GLN HB3 1 31 GLN HE22 . . 5.500 4.270 3.306 4.704 . 0 0 "[ . 1 . 2]" 1
523 1 32 LYS H 1 32 LYS QB . . 3.680 2.327 2.200 2.631 . 0 0 "[ . 1 . 2]" 1
524 1 32 LYS H 1 32 LYS HB3 . . 3.580 2.360 2.224 2.689 . 0 0 "[ . 1 . 2]" 1
525 1 32 LYS H 1 32 LYS QD . . 3.950 3.725 3.536 4.020 0.070 3 0 "[ . 1 . 2]" 1
526 1 32 LYS H 1 32 LYS QE . . 4.620 4.257 4.083 4.620 0.000 7 0 "[ . 1 . 2]" 1
527 1 32 LYS H 1 32 LYS HG2 . . 4.210 2.469 2.397 2.546 . 0 0 "[ . 1 . 2]" 1
528 1 32 LYS H 1 32 LYS HG3 . . 3.830 3.716 3.589 3.785 . 0 0 "[ . 1 . 2]" 1
529 1 32 LYS H 1 33 GLU H . . 3.800 2.283 1.860 2.482 . 0 0 "[ . 1 . 2]" 1
530 1 32 LYS H 1 33 GLU HA . . 5.100 4.973 4.558 5.146 0.046 4 0 "[ . 1 . 2]" 1
531 1 32 LYS H 1 33 GLU QG . . 5.500 4.392 3.728 5.568 0.068 3 0 "[ . 1 . 2]" 1
532 1 32 LYS HA 1 32 LYS QE . . 5.490 4.562 4.021 5.608 0.118 18 0 "[ . 1 . 2]" 1
533 1 32 LYS HA 1 32 LYS HG2 . . 3.890 3.822 3.764 3.924 0.034 16 0 "[ . 1 . 2]" 1
534 1 32 LYS HA 1 32 LYS HG3 . . 3.860 3.745 3.710 3.768 . 0 0 "[ . 1 . 2]" 1
535 1 32 LYS HA 1 34 LEU H . . 4.740 4.156 3.963 4.298 . 0 0 "[ . 1 . 2]" 1
536 1 32 LYS HA 1 35 MET QB . . 4.070 2.261 2.084 2.463 . 0 0 "[ . 1 . 2]" 1
537 1 32 LYS HA 1 35 MET QG . . 5.060 2.477 2.072 2.773 . 0 0 "[ . 1 . 2]" 1
538 1 32 LYS HA 1 36 ALA H . . 5.190 4.469 4.341 4.616 . 0 0 "[ . 1 . 2]" 1
539 1 32 LYS QB 1 32 LYS QD . . 3.390 2.310 1.975 2.528 . 0 0 "[ . 1 . 2]" 1
540 1 32 LYS QB 1 32 LYS QE . . 3.710 2.405 1.917 3.603 . 0 0 "[ . 1 . 2]" 1
541 1 32 LYS QB 1 33 GLU H . . 4.030 3.602 3.554 3.665 . 0 0 "[ . 1 . 2]" 1
542 1 32 LYS QB 1 33 GLU HA . . 5.380 4.779 4.648 4.867 . 0 0 "[ . 1 . 2]" 1
543 1 32 LYS HB3 1 33 GLU H . . 3.840 3.893 3.856 3.959 0.119 18 0 "[ . 1 . 2]" 1
544 1 32 LYS QD 1 33 GLU H . . 4.670 4.443 4.179 4.731 0.061 5 0 "[ . 1 . 2]" 1
545 1 32 LYS QE 1 32 LYS HG2 . . 3.380 2.998 2.262 3.458 0.078 17 0 "[ . 1 . 2]" 1
546 1 32 LYS QE 1 33 GLU H . . 5.500 5.026 4.586 5.468 . 0 0 "[ . 1 . 2]" 1
547 1 32 LYS HG2 1 33 GLU H . . 4.670 2.576 2.306 2.865 . 0 0 "[ . 1 . 2]" 1
548 1 32 LYS HG3 1 33 GLU H . . 4.580 3.313 3.127 3.615 . 0 0 "[ . 1 . 2]" 1
549 1 32 LYS HG3 1 33 GLU HB2 . . 5.420 4.799 3.890 5.200 . 0 0 "[ . 1 . 2]" 1
550 1 32 LYS HG3 1 33 GLU QG . . 5.500 3.496 2.852 5.512 0.012 8 0 "[ . 1 . 2]" 1
551 1 33 GLU H 1 33 GLU HB2 . . 3.570 2.358 2.312 2.539 . 0 0 "[ . 1 . 2]" 1
552 1 33 GLU H 1 33 GLU HB3 . . 3.480 3.359 2.387 3.582 0.102 20 0 "[ . 1 . 2]" 1
553 1 33 GLU H 1 33 GLU QG . . 3.840 2.756 2.381 3.951 0.111 8 0 "[ . 1 . 2]" 1
554 1 33 GLU H 1 34 LEU H . . 3.870 2.333 2.277 2.372 . 0 0 "[ . 1 . 2]" 1
555 1 33 GLU H 1 34 LEU HA . . 5.500 5.045 4.987 5.071 . 0 0 "[ . 1 . 2]" 1
556 1 33 GLU H 1 34 LEU HB3 . . 5.170 5.363 5.298 5.403 0.233 17 0 "[ . 1 . 2]" 1
557 1 33 GLU H 1 34 LEU QD . . 5.500 4.170 3.854 4.391 . 0 0 "[ . 1 . 2]" 1
558 1 33 GLU H 1 36 ALA H . . 5.500 4.671 4.571 4.759 . 0 0 "[ . 1 . 2]" 1
559 1 33 GLU HA 1 33 GLU QG . . 3.790 2.440 2.242 2.968 . 0 0 "[ . 1 . 2]" 1
560 1 33 GLU HA 1 36 ALA H . . 4.450 3.288 3.171 3.443 . 0 0 "[ . 1 . 2]" 1
561 1 33 GLU HA 1 36 ALA MB . . 3.450 2.608 2.500 2.780 . 0 0 "[ . 1 . 2]" 1
562 1 33 GLU HA 1 37 GLU H . . 5.150 4.365 4.204 4.488 . 0 0 "[ . 1 . 2]" 1
563 1 33 GLU HB2 1 34 LEU H . . 4.150 2.883 2.589 3.779 . 0 0 "[ . 1 . 2]" 1
564 1 33 GLU HB2 1 34 LEU QD . . 5.500 3.595 3.130 4.474 . 0 0 "[ . 1 . 2]" 1
565 1 33 GLU HB3 1 33 GLU QG . . 2.780 2.366 2.158 2.400 . 0 0 "[ . 1 . 2]" 1
566 1 33 GLU HB3 1 34 LEU H . . 4.150 3.412 2.410 3.753 . 0 0 "[ . 1 . 2]" 1
567 1 33 GLU HB3 1 36 ALA MB . . 5.430 4.471 4.221 5.085 . 0 0 "[ . 1 . 2]" 1
568 1 33 GLU HB3 1 37 GLU H . . 5.260 5.276 5.133 5.431 0.171 8 0 "[ . 1 . 2]" 1
569 1 33 GLU QG 1 34 LEU H . . 5.020 4.045 3.658 4.155 . 0 0 "[ . 1 . 2]" 1
570 1 33 GLU QG 1 36 ALA MB . . 5.500 4.119 3.453 4.740 . 0 0 "[ . 1 . 2]" 1
571 1 34 LEU H 1 34 LEU HB3 . . 3.700 3.246 3.173 3.336 . 0 0 "[ . 1 . 2]" 1
572 1 34 LEU H 1 34 LEU QD . . 3.860 2.691 2.402 2.898 . 0 0 "[ . 1 . 2]" 1
573 1 34 LEU H 1 34 LEU HG . . 4.460 4.213 4.034 4.324 . 0 0 "[ . 1 . 2]" 1
574 1 34 LEU H 1 35 MET H . . 4.220 2.622 2.564 2.696 . 0 0 "[ . 1 . 2]" 1
575 1 34 LEU H 1 35 MET HA . . 5.500 5.267 5.225 5.318 . 0 0 "[ . 1 . 2]" 1
576 1 34 LEU H 1 35 MET QG . . 5.220 4.292 4.188 4.420 . 0 0 "[ . 1 . 2]" 1
577 1 34 LEU H 1 36 ALA H . . 5.500 3.874 3.825 3.932 . 0 0 "[ . 1 . 2]" 1
578 1 34 LEU HA 1 34 LEU QD . . 3.130 2.140 2.045 2.224 . 0 0 "[ . 1 . 2]" 1
579 1 34 LEU HA 1 34 LEU HG . . 4.000 2.405 2.373 2.444 . 0 0 "[ . 1 . 2]" 1
580 1 34 LEU HA 1 35 MET HA . . 5.120 4.797 4.767 4.829 . 0 0 "[ . 1 . 2]" 1
581 1 34 LEU HA 1 36 ALA H . . 5.500 3.782 3.657 3.854 . 0 0 "[ . 1 . 2]" 1
582 1 34 LEU HA 1 36 ALA MB . . 5.190 4.987 4.916 5.065 . 0 0 "[ . 1 . 2]" 1
583 1 34 LEU HA 1 37 GLU H . . 4.580 3.113 2.912 3.231 . 0 0 "[ . 1 . 2]" 1
584 1 34 LEU HA 1 37 GLU QB . . 4.530 2.116 1.983 2.301 . 0 0 "[ . 1 . 2]" 1
585 1 34 LEU HA 1 37 GLU HG2 . . 5.040 4.189 3.982 4.568 . 0 0 "[ . 1 . 2]" 1
586 1 34 LEU HA 1 37 GLU HG3 . . 5.280 4.887 4.551 5.119 . 0 0 "[ . 1 . 2]" 1
587 1 34 LEU HA 1 38 TRP H . . 5.170 4.226 3.930 4.337 . 0 0 "[ . 1 . 2]" 1
588 1 34 LEU HA 1 38 TRP HE1 . . 5.310 4.308 4.098 4.600 . 0 0 "[ . 1 . 2]" 1
589 1 34 LEU HA 2 73 LEU QD . . 5.500 4.576 3.839 5.098 . 0 0 "[ . 1 . 2]" 1
590 1 34 LEU HB2 1 35 MET H . . 4.840 3.072 2.865 3.199 . 0 0 "[ . 1 . 2]" 1
591 1 34 LEU HB2 1 38 TRP HZ2 . . 5.380 5.307 4.886 5.434 0.054 19 0 "[ . 1 . 2]" 1
592 1 34 LEU HB3 1 35 MET H . . 4.300 3.051 2.877 3.279 . 0 0 "[ . 1 . 2]" 1
593 1 34 LEU HB3 1 36 ALA H . . 4.910 4.900 4.829 4.944 0.034 6 0 "[ . 1 . 2]" 1
594 1 34 LEU HB3 2 73 LEU QD . . 5.500 5.408 4.558 5.541 0.041 15 0 "[ . 1 . 2]" 1
595 1 34 LEU QD 1 35 MET H . . 5.370 4.095 3.987 4.165 . 0 0 "[ . 1 . 2]" 1
596 1 34 LEU QD 1 35 MET ME . . 5.500 3.975 3.847 4.180 . 0 0 "[ . 1 . 2]" 1
597 1 34 LEU QD 1 36 ALA H . . 5.500 4.924 4.769 5.016 . 0 0 "[ . 1 . 2]" 1
598 1 34 LEU QD 1 37 GLU H . . 5.500 4.597 4.325 4.717 . 0 0 "[ . 1 . 2]" 1
599 1 34 LEU QD 1 37 GLU QB . . 5.500 3.256 2.976 3.444 . 0 0 "[ . 1 . 2]" 1
600 1 34 LEU QD 1 37 GLU HG2 . . 5.500 4.624 4.267 5.111 . 0 0 "[ . 1 . 2]" 1
601 1 34 LEU QD 1 37 GLU HG3 . . 5.500 5.137 4.749 5.493 . 0 0 "[ . 1 . 2]" 1
602 1 34 LEU QD 1 38 TRP H . . 5.500 5.421 5.213 5.522 0.022 18 0 "[ . 1 . 2]" 1
603 1 34 LEU QD 1 38 TRP HE1 . . 4.360 3.721 3.508 3.969 . 0 0 "[ . 1 . 2]" 1
604 1 34 LEU QD 1 38 TRP HH2 . . 4.940 3.320 2.785 3.702 . 0 0 "[ . 1 . 2]" 1
605 1 34 LEU QD 1 38 TRP HZ2 . . 4.200 2.637 2.362 2.881 . 0 0 "[ . 1 . 2]" 1
606 1 34 LEU QD 2 8 LEU HA . . 5.500 5.529 5.418 5.590 0.090 1 0 "[ . 1 . 2]" 1
607 1 34 LEU QD 2 8 LEU QD . . 5.500 2.571 2.332 2.714 . 0 0 "[ . 1 . 2]" 1
608 1 34 LEU QD 2 70 VAL HA . . 5.500 3.900 3.457 4.329 . 0 0 "[ . 1 . 2]" 1
609 1 34 LEU QD 2 70 VAL QG . . 5.500 2.202 1.865 3.034 . 0 0 "[ . 1 . 2]" 1
610 1 34 LEU QD 2 73 LEU QD . . 5.500 3.123 2.621 3.953 . 0 0 "[ . 1 . 2]" 1
611 1 34 LEU HG 1 35 MET H . . 5.500 5.012 4.908 5.137 . 0 0 "[ . 1 . 2]" 1
612 1 34 LEU HG 1 37 GLU H . . 5.500 5.263 5.144 5.390 . 0 0 "[ . 1 . 2]" 1
613 1 34 LEU HG 1 38 TRP HD1 . . 4.980 4.690 4.390 4.993 0.013 17 0 "[ . 1 . 2]" 1
614 1 34 LEU HG 2 70 VAL QG . . 5.500 4.373 3.942 5.495 . 0 0 "[ . 1 . 2]" 1
615 1 35 MET H 1 35 MET QB . . 3.650 2.391 2.333 2.466 . 0 0 "[ . 1 . 2]" 1
616 1 35 MET H 1 35 MET ME . . 3.750 3.493 3.407 3.756 0.006 17 0 "[ . 1 . 2]" 1
617 1 35 MET H 1 35 MET QG . . 3.920 2.280 2.115 2.346 . 0 0 "[ . 1 . 2]" 1
618 1 35 MET H 1 36 ALA H . . 3.880 2.670 2.614 2.723 . 0 0 "[ . 1 . 2]" 1
619 1 35 MET H 1 36 ALA HA . . 5.500 5.288 5.232 5.328 . 0 0 "[ . 1 . 2]" 1
620 1 35 MET H 1 36 ALA MB . . 4.790 4.302 4.254 4.339 . 0 0 "[ . 1 . 2]" 1
621 1 35 MET H 1 37 GLU H . . 5.500 4.002 3.906 4.075 . 0 0 "[ . 1 . 2]" 1
622 1 35 MET H 1 38 TRP H . . 5.500 5.081 5.018 5.153 . 0 0 "[ . 1 . 2]" 1
623 1 35 MET HA 1 35 MET ME . . 3.520 1.995 1.881 3.129 . 0 0 "[ . 1 . 2]" 1
624 1 35 MET HA 1 35 MET QG . . 3.960 2.828 2.727 2.871 . 0 0 "[ . 1 . 2]" 1
625 1 35 MET HA 1 38 TRP H . . 4.460 3.855 3.715 4.038 . 0 0 "[ . 1 . 2]" 1
626 1 35 MET HA 1 38 TRP HB2 . . 4.620 3.257 3.182 3.352 . 0 0 "[ . 1 . 2]" 1
627 1 35 MET HA 1 38 TRP HB3 . . 4.740 4.826 4.793 4.880 0.140 20 0 "[ . 1 . 2]" 1
628 1 35 MET HA 1 38 TRP HE3 . . 4.440 3.423 3.000 3.668 . 0 0 "[ . 1 . 2]" 1
629 1 35 MET HA 1 38 TRP HZ3 . . 5.420 4.774 4.141 5.064 . 0 0 "[ . 1 . 2]" 1
630 1 35 MET HA 1 39 GLU H . . 5.160 4.644 4.480 4.889 . 0 0 "[ . 1 . 2]" 1
631 1 35 MET QB 1 35 MET ME . . 3.720 3.170 3.026 3.671 . 0 0 "[ . 1 . 2]" 1
632 1 35 MET QB 1 36 ALA H . . 3.810 3.151 3.040 3.250 . 0 0 "[ . 1 . 2]" 1
633 1 35 MET QB 1 36 ALA HA . . 4.130 4.135 4.042 4.198 0.068 17 0 "[ . 1 . 2]" 1
634 1 35 MET QB 1 36 ALA MB . . 3.960 3.756 3.631 3.826 . 0 0 "[ . 1 . 2]" 1
635 1 35 MET ME 1 36 ALA H . . 5.500 4.895 4.773 5.556 0.056 17 0 "[ . 1 . 2]" 1
636 1 35 MET ME 1 38 TRP HE3 . . 3.700 2.251 2.074 3.054 . 0 0 "[ . 1 . 2]" 1
637 1 35 MET ME 1 38 TRP HH2 . . 4.930 3.594 3.224 3.763 . 0 0 "[ . 1 . 2]" 1
638 1 35 MET ME 1 38 TRP HZ2 . . 5.020 4.731 4.379 5.005 . 0 0 "[ . 1 . 2]" 1
639 1 35 MET ME 1 38 TRP HZ3 . . 4.200 2.089 1.936 2.195 . 0 0 "[ . 1 . 2]" 1
640 1 35 MET QG 1 36 ALA H . . 5.060 4.369 4.260 4.461 . 0 0 "[ . 1 . 2]" 1
641 1 35 MET QG 1 38 TRP HE3 . . 5.240 5.000 4.566 5.186 . 0 0 "[ . 1 . 2]" 1
642 1 35 MET QG 1 38 TRP HZ3 . . 5.500 4.978 4.342 5.264 . 0 0 "[ . 1 . 2]" 1
643 1 36 ALA H 1 36 ALA MB . . 3.010 2.315 2.278 2.362 . 0 0 "[ . 1 . 2]" 1
644 1 36 ALA H 1 37 GLU H . . 3.850 2.059 1.967 2.134 . 0 0 "[ . 1 . 2]" 1
645 1 36 ALA H 1 37 GLU HG3 . . 6.000 6.138 6.104 6.175 0.175 13 0 "[ . 1 . 2]" 1
646 1 36 ALA H 1 38 TRP H . . 5.470 3.645 3.487 3.771 . 0 0 "[ . 1 . 2]" 1
647 1 36 ALA H 1 39 GLU H . . 5.500 4.637 4.536 4.800 . 0 0 "[ . 1 . 2]" 1
648 1 36 ALA H 1 39 GLU HG2 . . 5.500 5.157 4.429 5.467 . 0 0 "[ . 1 . 2]" 1
649 1 36 ALA HA 1 38 TRP H . . 5.480 3.904 3.700 4.208 . 0 0 "[ . 1 . 2]" 1
650 1 36 ALA HA 1 39 GLU H . . 4.730 3.312 3.109 3.490 . 0 0 "[ . 1 . 2]" 1
651 1 36 ALA HA 1 39 GLU HB3 . . 4.060 4.066 3.942 4.104 0.044 17 0 "[ . 1 . 2]" 1
652 1 36 ALA HA 1 39 GLU HG2 . . 4.910 3.251 2.113 3.612 . 0 0 "[ . 1 . 2]" 1
653 1 36 ALA HA 1 39 GLU HG3 . . 5.450 2.941 2.640 3.202 . 0 0 "[ . 1 . 2]" 1
654 1 36 ALA MB 1 37 GLU H . . 3.580 3.020 2.917 3.072 . 0 0 "[ . 1 . 2]" 1
655 1 36 ALA MB 1 37 GLU HG3 . . 5.500 5.584 5.543 5.612 0.112 3 0 "[ . 1 . 2]" 1
656 1 36 ALA MB 1 38 TRP H . . 4.700 4.427 4.300 4.563 . 0 0 "[ . 1 . 2]" 1
657 1 36 ALA MB 1 39 GLU H . . 5.460 4.537 4.373 4.723 . 0 0 "[ . 1 . 2]" 1
658 1 36 ALA MB 1 39 GLU HB3 . . 5.500 5.068 4.907 5.474 . 0 0 "[ . 1 . 2]" 1
659 1 36 ALA MB 1 39 GLU HG2 . . 5.500 4.792 3.710 5.098 . 0 0 "[ . 1 . 2]" 1
660 1 36 ALA MB 1 40 ARG H . . 5.500 4.704 4.629 4.806 . 0 0 "[ . 1 . 2]" 1
661 1 37 GLU H 1 37 GLU QB . . 3.650 2.054 2.001 2.098 . 0 0 "[ . 1 . 2]" 1
662 1 37 GLU H 1 37 GLU HG2 . . 3.960 4.077 4.044 4.109 0.149 7 0 "[ . 1 . 2]" 1
663 1 37 GLU H 1 37 GLU HG3 . . 4.010 4.196 4.175 4.213 0.203 5 0 "[ . 1 . 2]" 1
664 1 37 GLU H 1 38 TRP H . . 3.800 2.196 2.142 2.299 . 0 0 "[ . 1 . 2]" 1
665 1 37 GLU H 1 38 TRP HA . . 5.130 4.888 4.850 4.962 . 0 0 "[ . 1 . 2]" 1
666 1 37 GLU H 1 38 TRP HB3 . . 5.500 5.599 5.552 5.655 0.155 7 0 "[ . 1 . 2]" 1
667 1 37 GLU H 1 38 TRP HD1 . . 5.500 4.612 4.392 4.858 . 0 0 "[ . 1 . 2]" 1
668 1 37 GLU H 1 39 GLU H . . 5.190 3.699 3.580 3.903 . 0 0 "[ . 1 . 2]" 1
669 1 37 GLU H 1 40 ARG H . . 5.500 4.755 4.660 4.936 . 0 0 "[ . 1 . 2]" 1
670 1 37 GLU H 1 41 ALA MB . . 5.500 5.584 5.566 5.602 0.102 10 0 "[ . 1 . 2]" 1
671 1 37 GLU HA 1 37 GLU HG2 . . 3.850 3.240 3.073 3.367 . 0 0 "[ . 1 . 2]" 1
672 1 37 GLU HA 1 37 GLU HG3 . . 3.890 2.308 2.247 2.375 . 0 0 "[ . 1 . 2]" 1
673 1 37 GLU HA 1 39 GLU H . . 4.880 4.283 4.065 4.611 . 0 0 "[ . 1 . 2]" 1
674 1 37 GLU HA 1 40 ARG H . . 3.760 3.587 3.410 3.766 0.006 13 0 "[ . 1 . 2]" 1
675 1 37 GLU HA 1 40 ARG QD . . 3.720 2.656 2.336 3.092 . 0 0 "[ . 1 . 2]" 1
676 1 37 GLU HA 1 40 ARG HE . . 5.500 3.058 2.214 5.009 . 0 0 "[ . 1 . 2]" 1
677 1 37 GLU HA 1 40 ARG HG3 . . 3.770 3.323 3.193 3.395 . 0 0 "[ . 1 . 2]" 1
678 1 37 GLU HA 1 41 ALA H . . 4.940 4.364 4.228 4.513 . 0 0 "[ . 1 . 2]" 1
679 1 37 GLU QB 1 38 TRP H . . 4.050 2.863 2.535 2.985 . 0 0 "[ . 1 . 2]" 1
680 1 37 GLU QB 1 38 TRP HA . . 5.290 4.336 4.157 4.454 . 0 0 "[ . 1 . 2]" 1
681 1 37 GLU QB 1 41 ALA MB . . 5.500 4.700 4.552 4.836 . 0 0 "[ . 1 . 2]" 1
682 1 37 GLU HG2 1 38 TRP H . . 4.630 3.890 3.614 3.973 . 0 0 "[ . 1 . 2]" 1
683 1 37 GLU HG2 1 38 TRP HA . . 4.920 3.760 3.534 3.913 . 0 0 "[ . 1 . 2]" 1
684 1 37 GLU HG2 1 38 TRP HD1 . . 4.600 2.578 2.490 2.787 . 0 0 "[ . 1 . 2]" 1
685 1 37 GLU HG2 1 38 TRP HE1 . . 5.490 3.882 3.781 4.043 . 0 0 "[ . 1 . 2]" 1
686 1 37 GLU HG2 1 39 GLU H . . 5.460 5.520 5.496 5.549 0.089 13 0 "[ . 1 . 2]" 1
687 1 37 GLU HG2 1 41 ALA H . . 5.500 4.919 4.728 4.999 . 0 0 "[ . 1 . 2]" 1
688 1 37 GLU HG2 1 41 ALA HA . . 5.410 5.393 5.280 5.460 0.050 16 0 "[ . 1 . 2]" 1
689 1 37 GLU HG2 1 41 ALA MB . . 5.120 3.540 3.195 3.764 . 0 0 "[ . 1 . 2]" 1
690 1 37 GLU HG3 1 38 TRP H . . 4.630 4.567 4.431 4.674 0.044 3 0 "[ . 1 . 2]" 1
691 1 37 GLU HG3 1 38 TRP HD1 . . 5.400 4.238 4.091 4.373 . 0 0 "[ . 1 . 2]" 1
692 1 37 GLU HG3 1 38 TRP HE1 . . 5.500 5.594 5.553 5.634 0.134 16 0 "[ . 1 . 2]" 1
693 1 37 GLU HG3 1 41 ALA MB . . 5.380 4.240 3.935 4.573 . 0 0 "[ . 1 . 2]" 1
694 1 38 TRP H 1 38 TRP HB2 . . 4.170 2.228 2.188 2.261 . 0 0 "[ . 1 . 2]" 1
695 1 38 TRP H 1 38 TRP HD1 . . 4.400 3.333 2.991 3.537 . 0 0 "[ . 1 . 2]" 1
696 1 38 TRP H 1 38 TRP HE1 . . 5.500 5.179 4.835 5.328 . 0 0 "[ . 1 . 2]" 1
697 1 38 TRP H 1 38 TRP HE3 . . 5.420 4.781 4.598 4.889 . 0 0 "[ . 1 . 2]" 1
698 1 38 TRP H 1 39 GLU H . . 3.750 2.132 2.076 2.535 . 0 0 "[ . 1 . 2]" 1
699 1 38 TRP H 1 39 GLU HB3 . . 5.380 5.521 5.047 5.583 0.203 7 0 "[ . 1 . 2]" 1
700 1 38 TRP H 1 39 GLU HG2 . . 5.300 3.944 3.680 4.164 . 0 0 "[ . 1 . 2]" 1
701 1 38 TRP H 1 40 ARG H . . 5.300 3.856 3.771 4.001 . 0 0 "[ . 1 . 2]" 1
702 1 38 TRP H 1 41 ALA H . . 5.500 4.267 4.202 4.418 . 0 0 "[ . 1 . 2]" 1
703 1 38 TRP H 1 41 ALA MB . . 5.070 4.179 4.126 4.215 . 0 0 "[ . 1 . 2]" 1
704 1 38 TRP HA 1 38 TRP HD1 . . 3.360 2.191 2.148 2.234 . 0 0 "[ . 1 . 2]" 1
705 1 38 TRP HA 1 38 TRP HE1 . . 4.610 4.635 4.611 4.660 0.050 10 0 "[ . 1 . 2]" 1
706 1 38 TRP HA 1 40 ARG H . . 5.440 4.379 4.275 4.482 . 0 0 "[ . 1 . 2]" 1
707 1 38 TRP HA 1 41 ALA H . . 4.510 2.975 2.870 3.073 . 0 0 "[ . 1 . 2]" 1
708 1 38 TRP HA 1 41 ALA MB . . 3.670 1.965 1.907 2.049 . 0 0 "[ . 1 . 2]" 1
709 1 38 TRP HA 1 42 GLY H . . 4.870 4.812 4.531 4.926 0.056 2 0 "[ . 1 . 2]" 1
710 1 38 TRP HB2 1 39 GLU H . . 4.450 2.784 2.660 2.906 . 0 0 "[ . 1 . 2]" 1
711 1 38 TRP HB2 1 41 ALA MB . . 5.020 4.432 4.356 4.533 . 0 0 "[ . 1 . 2]" 1
712 1 38 TRP HB3 1 39 GLU H . . 4.400 3.740 3.634 3.878 . 0 0 "[ . 1 . 2]" 1
713 1 38 TRP HB3 1 41 ALA H . . 5.500 4.920 4.800 5.059 . 0 0 "[ . 1 . 2]" 1
714 1 38 TRP HD1 1 39 GLU H . . 5.500 4.891 4.799 5.018 . 0 0 "[ . 1 . 2]" 1
715 1 38 TRP HD1 1 41 ALA H . . 4.870 4.767 4.687 4.887 0.017 13 0 "[ . 1 . 2]" 1
716 1 38 TRP HD1 1 41 ALA MB . . 4.320 3.029 2.871 3.226 . 0 0 "[ . 1 . 2]" 1
717 1 38 TRP HD1 2 73 LEU QD . . 5.500 3.717 2.506 5.196 . 0 0 "[ . 1 . 2]" 1
718 1 38 TRP HE1 1 41 ALA MB . . 5.500 4.964 4.818 5.107 . 0 0 "[ . 1 . 2]" 1
719 1 38 TRP HE1 2 73 LEU QD . . 5.500 2.554 1.780 3.897 . 0 0 "[ . 1 . 2]" 1
720 1 38 TRP HE3 1 39 GLU H . . 5.500 5.556 5.416 5.626 0.126 10 0 "[ . 1 . 2]" 1
721 1 38 TRP HH2 2 8 LEU QD . . 5.500 5.069 4.738 5.481 . 0 0 "[ . 1 . 2]" 1
722 1 38 TRP HZ2 2 8 LEU QB . . 5.500 5.281 4.763 5.556 0.056 17 0 "[ . 1 . 2]" 1
723 1 38 TRP HZ2 2 8 LEU QD . . 5.500 4.044 3.644 4.455 . 0 0 "[ . 1 . 2]" 1
724 1 38 TRP HZ2 2 73 LEU QD . . 5.500 3.818 3.094 4.643 . 0 0 "[ . 1 . 2]" 1
725 1 39 GLU H 1 39 GLU HB2 . . 3.550 2.313 2.192 3.625 0.075 13 0 "[ . 1 . 2]" 1
726 1 39 GLU H 1 39 GLU HB3 . . 3.520 3.471 2.651 3.532 0.012 5 0 "[ . 1 . 2]" 1
727 1 39 GLU H 1 39 GLU HG2 . . 3.820 2.356 1.801 2.526 . 0 0 "[ . 1 . 2]" 1
728 1 39 GLU H 1 39 GLU HG3 . . 3.790 3.528 3.012 3.645 . 0 0 "[ . 1 . 2]" 1
729 1 39 GLU H 1 40 ARG H . . 3.640 2.625 2.550 2.681 . 0 0 "[ . 1 . 2]" 1
730 1 39 GLU H 1 41 ALA H . . 5.280 3.615 3.554 3.732 . 0 0 "[ . 1 . 2]" 1
731 1 39 GLU H 1 41 ALA MB . . 5.500 4.291 4.197 4.445 . 0 0 "[ . 1 . 2]" 1
732 1 39 GLU H 1 42 GLY H . . 5.500 5.396 5.097 5.517 0.017 2 0 "[ . 1 . 2]" 1
733 1 39 GLU H 1 43 ALA H . . 5.500 5.285 4.720 5.504 0.004 11 0 "[ . 1 . 2]" 1
734 1 39 GLU H 1 43 ALA MB . . 5.500 4.195 3.439 4.371 . 0 0 "[ . 1 . 2]" 1
735 1 39 GLU HA 1 39 GLU HG2 . . 3.500 2.817 2.716 3.612 0.112 13 0 "[ . 1 . 2]" 1
736 1 39 GLU HA 1 39 GLU HG3 . . 3.560 3.656 3.622 3.681 0.121 1 0 "[ . 1 . 2]" 1
737 1 39 GLU HA 1 43 ALA H . . 4.200 3.556 2.859 3.723 . 0 0 "[ . 1 . 2]" 1
738 1 39 GLU HA 1 43 ALA MB . . 4.730 2.429 2.003 2.892 . 0 0 "[ . 1 . 2]" 1
739 1 39 GLU HB2 1 40 ARG H . . 3.900 2.571 2.464 3.898 . 0 0 "[ . 1 . 2]" 1
740 1 39 GLU HB3 1 40 ARG H . . 4.050 3.428 3.259 4.143 0.093 13 0 "[ . 1 . 2]" 1
741 1 39 GLU HG2 1 40 ARG H . . 4.510 4.332 2.790 4.486 . 0 0 "[ . 1 . 2]" 1
742 1 39 GLU HG2 1 43 ALA MB . . 4.530 4.277 4.078 4.630 0.100 13 0 "[ . 1 . 2]" 1
743 1 39 GLU HG3 1 40 ARG H . . 4.750 4.702 2.298 4.881 0.131 19 0 "[ . 1 . 2]" 1
744 1 39 GLU HG3 1 43 ALA MB . . 5.500 5.360 5.126 5.559 0.059 19 0 "[ . 1 . 2]" 1
745 1 40 ARG H 1 40 ARG QB . . 3.380 2.557 2.496 2.617 . 0 0 "[ . 1 . 2]" 1
746 1 40 ARG H 1 40 ARG QD . . 4.280 3.883 3.611 4.110 . 0 0 "[ . 1 . 2]" 1
747 1 40 ARG H 1 40 ARG HE . . 5.500 4.062 3.166 5.127 . 0 0 "[ . 1 . 2]" 1
748 1 40 ARG H 1 40 ARG HG2 . . 4.070 2.041 1.948 2.122 . 0 0 "[ . 1 . 2]" 1
749 1 40 ARG H 1 40 ARG HG3 . . 3.980 3.330 3.239 3.414 . 0 0 "[ . 1 . 2]" 1
750 1 40 ARG H 1 41 ALA H . . 3.530 2.487 2.405 2.531 . 0 0 "[ . 1 . 2]" 1
751 1 40 ARG H 1 41 ALA HA . . 5.010 5.033 4.993 5.052 0.042 10 0 "[ . 1 . 2]" 1
752 1 40 ARG H 1 41 ALA MB . . 5.080 4.149 4.072 4.179 . 0 0 "[ . 1 . 2]" 1
753 1 40 ARG HA 1 40 ARG QD . . 4.490 4.408 4.226 4.503 0.013 7 0 "[ . 1 . 2]" 1
754 1 40 ARG HA 1 40 ARG HG2 . . 3.760 3.738 3.711 3.766 0.006 1 0 "[ . 1 . 2]" 1
755 1 40 ARG HA 1 40 ARG HG3 . . 4.100 3.741 3.719 3.766 . 0 0 "[ . 1 . 2]" 1
756 1 40 ARG HA 1 42 GLY H . . 4.150 3.508 3.395 3.724 . 0 0 "[ . 1 . 2]" 1
757 1 40 ARG QB 1 40 ARG QD . . 3.250 2.251 2.092 2.340 . 0 0 "[ . 1 . 2]" 1
758 1 40 ARG QB 1 40 ARG HE . . 4.830 2.910 2.154 4.009 . 0 0 "[ . 1 . 2]" 1
759 1 40 ARG QB 1 41 ALA H . . 3.870 3.784 3.743 3.807 . 0 0 "[ . 1 . 2]" 1
760 1 40 ARG QB 1 42 GLY H . . 5.500 4.780 4.684 4.950 . 0 0 "[ . 1 . 2]" 1
761 1 40 ARG QD 1 41 ALA H . . 4.670 4.706 4.676 4.752 0.082 2 0 "[ . 1 . 2]" 1
762 1 40 ARG HE 1 41 ALA H . . 5.500 5.094 4.712 5.492 . 0 0 "[ . 1 . 2]" 1
763 1 40 ARG HG2 1 41 ALA H . . 4.960 2.948 2.873 3.033 . 0 0 "[ . 1 . 2]" 1
764 1 40 ARG HG2 1 41 ALA HA . . 5.130 4.564 4.408 4.714 . 0 0 "[ . 1 . 2]" 1
765 1 40 ARG HG2 1 42 GLY H . . 5.500 5.287 5.208 5.370 . 0 0 "[ . 1 . 2]" 1
766 1 40 ARG HG3 1 41 ALA H . . 4.690 3.105 2.907 3.195 . 0 0 "[ . 1 . 2]" 1
767 1 41 ALA H 1 41 ALA MB . . 2.900 2.219 2.193 2.248 . 0 0 "[ . 1 . 2]" 1
768 1 41 ALA H 1 42 GLY H . . 3.400 2.703 2.527 2.769 . 0 0 "[ . 1 . 2]" 1
769 1 41 ALA H 1 42 GLY QA . . 4.960 4.677 4.555 4.742 . 0 0 "[ . 1 . 2]" 1
770 1 41 ALA H 1 43 ALA H . . 4.460 3.679 3.441 3.816 . 0 0 "[ . 1 . 2]" 1
771 1 41 ALA HA 1 42 GLY QA . . 5.390 4.248 4.226 4.277 . 0 0 "[ . 1 . 2]" 1
772 1 41 ALA HA 1 43 ALA H . . 4.830 4.893 4.839 4.977 0.147 2 0 "[ . 1 . 2]" 1
773 1 41 ALA MB 1 42 GLY H . . 3.460 2.976 2.799 3.205 . 0 0 "[ . 1 . 2]" 1
774 1 41 ALA MB 1 42 GLY QA . . 4.940 3.830 3.731 4.016 . 0 0 "[ . 1 . 2]" 1
775 1 41 ALA MB 1 43 ALA H . . 4.130 3.185 2.963 3.521 . 0 0 "[ . 1 . 2]" 1
776 1 41 ALA MB 1 43 ALA HA . . 5.470 5.065 4.363 5.343 . 0 0 "[ . 1 . 2]" 1
777 1 41 ALA MB 1 43 ALA MB . . 3.330 3.369 3.247 3.412 0.082 11 0 "[ . 1 . 2]" 1
778 1 42 GLY H 1 43 ALA H . . 2.960 1.859 1.737 2.244 . 0 0 "[ . 1 . 2]" 1
779 1 42 GLY H 1 43 ALA MB . . 5.320 3.647 3.497 3.938 . 0 0 "[ . 1 . 2]" 1
780 1 42 GLY QA 1 43 ALA H . . 3.500 2.936 2.875 2.965 . 0 0 "[ . 1 . 2]" 1
781 1 42 GLY QA 1 43 ALA MB . . 5.500 4.199 4.078 4.286 . 0 0 "[ . 1 . 2]" 1
782 1 43 ALA H 1 43 ALA MB . . 2.830 2.235 2.153 2.365 . 0 0 "[ . 1 . 2]" 1
783 2 1 MET HA 2 2 GLN H . . 2.840 2.254 2.170 2.369 . 0 0 "[ . 1 . 2]" 1
784 2 1 MET HA 2 2 GLN HA . . 4.590 4.479 4.324 4.561 . 0 0 "[ . 1 . 2]" 1
785 2 1 MET HA 2 2 GLN HG3 . . 4.950 4.546 4.162 4.965 0.015 14 0 "[ . 1 . 2]" 1
786 2 1 MET HA 2 63 LYS QD . . 5.010 2.638 2.042 3.437 . 0 0 "[ . 1 . 2]" 1
787 2 1 MET QB 2 2 GLN H . . 3.870 3.212 2.722 4.048 0.178 14 0 "[ . 1 . 2]" 1
788 2 1 MET QG 2 2 GLN H . . 5.120 3.850 1.958 4.172 . 0 0 "[ . 1 . 2]" 1
789 2 1 MET QG 2 16 GLU HA . . 3.250 3.274 2.646 3.430 0.180 20 0 "[ . 1 . 2]" 1
790 2 1 MET QG 2 16 GLU HB3 . . 2.910 3.006 2.947 3.145 0.235 10 0 "[ . 1 . 2]" 1
791 2 1 MET QG 2 17 VAL H . . 4.510 2.302 2.121 3.017 . 0 0 "[ . 1 . 2]" 1
792 2 1 MET QG 2 17 VAL QG . . 3.900 3.385 2.846 3.720 . 0 0 "[ . 1 . 2]" 1
793 2 1 MET QG 2 18 GLU HA . . 4.970 3.805 3.378 5.123 0.153 16 0 "[ . 1 . 2]" 1
794 2 1 MET QG 2 63 LYS HA . . 4.850 4.845 4.592 4.910 0.060 13 0 "[ . 1 . 2]" 1
795 2 1 MET QG 2 63 LYS QD . . 5.210 4.969 2.420 5.304 0.094 2 0 "[ . 1 . 2]" 1
796 2 2 GLN H 2 2 GLN HB3 . . 3.400 3.589 3.285 3.736 0.336 15 0 "[ . 1 . 2]" 1
797 2 2 GLN H 2 2 GLN HG2 . . 3.950 2.751 2.425 3.173 . 0 0 "[ . 1 . 2]" 1
798 2 2 GLN H 2 2 GLN HG3 . . 3.710 3.049 2.809 3.926 0.216 16 0 "[ . 1 . 2]" 1
799 2 2 GLN H 2 3 ILE H . . 4.470 4.134 3.690 4.346 . 0 0 "[ . 1 . 2]" 1
800 2 2 GLN H 2 3 ILE MG . . 4.450 4.105 3.777 4.448 . 0 0 "[ . 1 . 2]" 1
801 2 2 GLN H 2 14 THR MG . . 4.720 4.718 4.441 4.891 0.171 16 0 "[ . 1 . 2]" 1
802 2 2 GLN H 2 63 LYS HA . . 4.710 3.131 2.357 3.924 . 0 0 "[ . 1 . 2]" 1
803 2 2 GLN H 2 63 LYS HB3 . . 3.530 3.371 2.873 3.758 0.228 16 0 "[ . 1 . 2]" 1
804 2 2 GLN H 2 63 LYS QG . . 4.880 3.791 3.439 4.255 . 0 0 "[ . 1 . 2]" 1
805 2 2 GLN H 2 64 GLU H . . 4.970 4.788 4.319 5.099 0.129 16 0 "[ . 1 . 2]" 1
806 2 2 GLN HA 2 2 GLN HG2 . . 3.770 3.675 3.547 3.722 . 0 0 "[ . 1 . 2]" 1
807 2 2 GLN HA 2 2 GLN HG3 . . 3.780 3.747 3.690 3.823 0.043 8 0 "[ . 1 . 2]" 1
808 2 2 GLN HA 2 3 ILE H . . 2.800 2.303 2.067 2.697 . 0 0 "[ . 1 . 2]" 1
809 2 2 GLN HA 2 3 ILE HA . . 4.810 4.434 4.211 4.638 . 0 0 "[ . 1 . 2]" 1
810 2 2 GLN HA 2 3 ILE MD . . 4.800 3.296 2.941 3.573 . 0 0 "[ . 1 . 2]" 1
811 2 2 GLN HA 2 3 ILE MG . . 4.510 3.443 3.250 3.666 . 0 0 "[ . 1 . 2]" 1
812 2 2 GLN HA 2 14 THR MG . . 4.350 4.163 3.970 4.319 . 0 0 "[ . 1 . 2]" 1
813 2 2 GLN HA 2 15 LEU H . . 4.510 4.143 3.823 4.392 . 0 0 "[ . 1 . 2]" 1
814 2 2 GLN HA 2 16 GLU HA . . 3.570 2.048 1.917 2.468 . 0 0 "[ . 1 . 2]" 1
815 2 2 GLN HA 2 17 VAL H . . 4.250 3.068 2.457 3.444 . 0 0 "[ . 1 . 2]" 1
816 2 2 GLN HA 2 17 VAL QG . . 4.860 2.701 2.263 3.074 . 0 0 "[ . 1 . 2]" 1
817 2 2 GLN HB2 2 2 GLN HE22 . . 5.090 3.923 3.778 4.740 . 0 0 "[ . 1 . 2]" 1
818 2 2 GLN HB2 2 3 ILE H . . 3.780 2.984 2.193 3.574 . 0 0 "[ . 1 . 2]" 1
819 2 2 GLN HB2 2 3 ILE MD . . 4.140 3.951 3.646 4.177 0.037 1 0 "[ . 1 . 2]" 1
820 2 2 GLN HB2 2 4 PHE HE1 . . 4.590 4.613 4.463 4.672 0.082 16 0 "[ . 1 . 2]" 1
821 2 2 GLN HB2 2 14 THR MG . . 3.650 2.070 1.957 2.174 . 0 0 "[ . 1 . 2]" 1
822 2 2 GLN HB2 2 16 GLU HA . . 4.260 3.408 3.222 3.542 . 0 0 "[ . 1 . 2]" 1
823 2 2 GLN HB3 2 3 ILE H . . 4.090 3.931 3.626 4.167 0.077 13 0 "[ . 1 . 2]" 1
824 2 2 GLN HB3 2 14 THR MG . . 4.150 3.309 3.091 3.421 . 0 0 "[ . 1 . 2]" 1
825 2 2 GLN HB3 2 15 LEU H . . 5.370 4.209 3.562 4.381 . 0 0 "[ . 1 . 2]" 1
826 2 2 GLN HE21 2 14 THR HB . . 5.420 4.979 4.673 5.476 0.056 16 0 "[ . 1 . 2]" 1
827 2 2 GLN HE21 2 14 THR MG . . 3.680 3.081 2.836 3.696 0.016 16 0 "[ . 1 . 2]" 1
828 2 2 GLN HE21 2 16 GLU HA . . 5.400 4.070 3.687 5.530 0.130 16 0 "[ . 1 . 2]" 1
829 2 2 GLN HE21 2 16 GLU HB3 . . 4.970 4.795 2.893 4.999 0.029 5 0 "[ . 1 . 2]" 1
830 2 2 GLN HE22 2 2 GLN HG2 . . 4.140 3.797 3.581 3.856 . 0 0 "[ . 1 . 2]" 1
831 2 2 GLN HE22 2 14 THR MG . . 3.860 3.075 2.886 3.787 . 0 0 "[ . 1 . 2]" 1
832 2 2 GLN HG2 2 4 PHE HE1 . . 5.030 4.503 3.689 5.027 . 0 0 "[ . 1 . 2]" 1
833 2 2 GLN HG2 2 14 THR MG . . 3.580 3.589 3.420 3.649 0.069 13 0 "[ . 1 . 2]" 1
834 2 2 GLN HG2 2 15 LEU H . . 6.000 5.910 5.422 6.025 0.025 3 0 "[ . 1 . 2]" 1
835 2 2 GLN HG2 2 16 GLU HA . . 4.790 4.315 3.576 4.480 . 0 0 "[ . 1 . 2]" 1
836 2 2 GLN HG3 2 3 ILE H . . 4.880 4.328 3.457 4.922 0.042 16 0 "[ . 1 . 2]" 1
837 2 2 GLN HG3 2 4 PHE HE1 . . 4.070 2.913 2.406 3.464 . 0 0 "[ . 1 . 2]" 1
838 2 2 GLN HG3 2 14 THR MG . . 3.580 2.552 2.169 2.698 . 0 0 "[ . 1 . 2]" 1
839 2 2 GLN HG3 2 16 GLU HA . . 4.770 4.965 4.659 5.012 0.242 19 0 "[ . 1 . 2]" 1
840 2 3 ILE H 2 3 ILE MD . . 4.100 1.761 1.542 1.937 . 0 0 "[ . 1 . 2]" 1
841 2 3 ILE H 2 3 ILE MG . . 3.910 2.495 2.071 3.155 . 0 0 "[ . 1 . 2]" 1
842 2 3 ILE H 2 4 PHE H . . 4.940 4.576 4.424 4.671 . 0 0 "[ . 1 . 2]" 1
843 2 3 ILE H 2 4 PHE HA . . 5.500 5.190 4.721 5.503 0.003 1 0 "[ . 1 . 2]" 1
844 2 3 ILE H 2 14 THR MG . . 4.010 3.746 3.022 4.078 0.068 15 0 "[ . 1 . 2]" 1
845 2 3 ILE H 2 15 LEU H . . 3.770 3.118 2.673 3.533 . 0 0 "[ . 1 . 2]" 1
846 2 3 ILE H 2 15 LEU HA . . 5.240 5.122 4.829 5.397 0.157 4 0 "[ . 1 . 2]" 1
847 2 3 ILE H 2 16 GLU HA . . 4.720 3.912 3.713 4.145 . 0 0 "[ . 1 . 2]" 1
848 2 3 ILE H 2 17 VAL H . . 4.760 4.758 4.500 4.911 0.151 2 0 "[ . 1 . 2]" 1
849 2 3 ILE H 2 17 VAL QG . . 4.130 2.969 2.604 3.325 . 0 0 "[ . 1 . 2]" 1
850 2 3 ILE HA 2 3 ILE MD . . 4.250 3.603 3.541 3.736 . 0 0 "[ . 1 . 2]" 1
851 2 3 ILE HA 2 3 ILE MG . . 3.250 2.465 2.284 2.621 . 0 0 "[ . 1 . 2]" 1
852 2 3 ILE HA 2 4 PHE H . . 3.080 2.340 2.291 2.428 . 0 0 "[ . 1 . 2]" 1
853 2 3 ILE HA 2 4 PHE HD1 . . 5.500 2.745 2.572 3.177 . 0 0 "[ . 1 . 2]" 1
854 2 3 ILE HA 2 4 PHE HE1 . . 5.500 4.411 4.043 4.629 . 0 0 "[ . 1 . 2]" 1
855 2 3 ILE HA 2 5 VAL H . . 5.260 5.341 4.903 5.457 0.197 9 0 "[ . 1 . 2]" 1
856 2 3 ILE HA 2 15 LEU H . . 5.370 5.198 5.083 5.320 . 0 0 "[ . 1 . 2]" 1
857 2 3 ILE HA 2 17 VAL QG . . 5.120 4.521 4.323 4.968 . 0 0 "[ . 1 . 2]" 1
858 2 3 ILE HA 2 63 LYS HA . . 5.000 4.063 3.675 4.930 . 0 0 "[ . 1 . 2]" 1
859 2 3 ILE HA 2 64 GLU H . . 4.340 4.459 4.362 4.500 0.160 10 0 "[ . 1 . 2]" 1
860 2 3 ILE HA 2 64 GLU HA . . 3.910 2.610 1.954 2.927 . 0 0 "[ . 1 . 2]" 1
861 2 3 ILE HA 2 65 SER H . . 4.240 3.790 3.425 3.953 . 0 0 "[ . 1 . 2]" 1
862 2 3 ILE HA 2 66 THR HA . . 4.410 4.414 3.929 4.487 0.077 14 0 "[ . 1 . 2]" 1
863 2 3 ILE HB 2 3 ILE MD . . 3.430 3.250 3.215 3.262 . 0 0 "[ . 1 . 2]" 1
864 2 3 ILE HB 2 4 PHE H . . 3.430 2.508 2.243 2.637 . 0 0 "[ . 1 . 2]" 1
865 2 3 ILE HB 2 65 SER H . . 5.170 4.122 3.761 4.671 . 0 0 "[ . 1 . 2]" 1
866 2 3 ILE HB 2 66 THR HA . . 4.670 3.718 3.294 3.857 . 0 0 "[ . 1 . 2]" 1
867 2 3 ILE MD 2 5 VAL H . . 4.690 4.286 3.829 4.759 0.069 16 0 "[ . 1 . 2]" 1
868 2 3 ILE MD 2 15 LEU H . . 4.670 2.820 2.530 3.360 . 0 0 "[ . 1 . 2]" 1
869 2 3 ILE MD 2 15 LEU HB2 . . 4.840 4.432 4.010 4.659 . 0 0 "[ . 1 . 2]" 1
870 2 3 ILE MD 2 16 GLU H . . 5.330 4.971 4.820 5.087 . 0 0 "[ . 1 . 2]" 1
871 2 3 ILE MD 2 16 GLU HA . . 4.920 4.212 3.933 4.411 . 0 0 "[ . 1 . 2]" 1
872 2 3 ILE MD 2 17 VAL H . . 5.110 4.457 4.200 4.784 . 0 0 "[ . 1 . 2]" 1
873 2 3 ILE MD 2 17 VAL HB . . 4.720 3.910 3.208 4.486 . 0 0 "[ . 1 . 2]" 1
874 2 3 ILE MD 2 17 VAL QG . . 3.100 1.953 1.750 2.192 . 0 0 "[ . 1 . 2]" 1
875 2 3 ILE MD 2 26 VAL HA . . 5.130 4.212 3.873 4.521 . 0 0 "[ . 1 . 2]" 1
876 2 3 ILE QG 2 3 ILE MG . . 3.210 2.289 2.215 2.496 . 0 0 "[ . 1 . 2]" 1
877 2 3 ILE QG 2 4 PHE H . . 3.980 3.359 3.038 3.819 . 0 0 "[ . 1 . 2]" 1
878 2 3 ILE MG 2 4 PHE H . . 4.090 3.842 3.619 3.997 . 0 0 "[ . 1 . 2]" 1
879 2 3 ILE MG 2 15 LEU H . . 5.230 5.082 4.909 5.263 0.033 8 0 "[ . 1 . 2]" 1
880 2 3 ILE MG 2 17 VAL QG . . 3.440 2.083 1.891 2.301 . 0 0 "[ . 1 . 2]" 1
881 2 3 ILE MG 2 62 GLN H . . 4.960 4.752 4.445 4.969 0.009 18 0 "[ . 1 . 2]" 1
882 2 3 ILE MG 2 63 LYS H . . 5.320 4.614 4.317 4.950 . 0 0 "[ . 1 . 2]" 1
883 2 3 ILE MG 2 63 LYS HA . . 3.850 2.672 2.383 3.291 . 0 0 "[ . 1 . 2]" 1
884 2 3 ILE MG 2 64 GLU H . . 4.960 4.262 3.576 4.909 . 0 0 "[ . 1 . 2]" 1
885 2 3 ILE MG 2 64 GLU HA . . 4.490 3.992 3.037 4.416 . 0 0 "[ . 1 . 2]" 1
886 2 3 ILE MG 2 65 SER H . . 3.570 3.233 2.502 3.605 0.035 19 0 "[ . 1 . 2]" 1
887 2 3 ILE MG 2 65 SER HB2 . . 4.400 3.771 3.311 4.460 0.060 4 0 "[ . 1 . 2]" 1
888 2 3 ILE MG 2 65 SER HB3 . . 5.050 4.787 3.628 5.111 0.061 7 0 "[ . 1 . 2]" 1
889 2 3 ILE MG 2 66 THR H . . 5.230 3.899 3.013 4.231 . 0 0 "[ . 1 . 2]" 1
890 2 4 PHE H 2 4 PHE HB3 . . 4.160 3.609 3.577 3.687 . 0 0 "[ . 1 . 2]" 1
891 2 4 PHE H 2 4 PHE HD1 . . 4.890 2.650 2.528 2.908 . 0 0 "[ . 1 . 2]" 1
892 2 4 PHE H 2 4 PHE HE1 . . 5.500 4.998 4.708 5.192 . 0 0 "[ . 1 . 2]" 1
893 2 4 PHE H 2 5 VAL H . . 4.140 3.949 3.661 4.106 . 0 0 "[ . 1 . 2]" 1
894 2 4 PHE H 2 5 VAL MG2 . . 4.760 4.148 4.007 4.293 . 0 0 "[ . 1 . 2]" 1
895 2 4 PHE H 2 12 THR MG . . 4.710 4.537 4.431 4.718 0.008 9 0 "[ . 1 . 2]" 1
896 2 4 PHE H 2 14 THR MG . . 4.530 4.460 4.218 4.550 0.020 9 0 "[ . 1 . 2]" 1
897 2 4 PHE H 2 64 GLU HA . . 4.620 3.375 3.169 3.712 . 0 0 "[ . 1 . 2]" 1
898 2 4 PHE H 2 65 SER H . . 4.780 4.544 4.257 4.827 0.047 16 0 "[ . 1 . 2]" 1
899 2 4 PHE H 2 66 THR HA . . 3.830 2.313 2.065 2.370 . 0 0 "[ . 1 . 2]" 1
900 2 4 PHE H 2 66 THR MG . . 4.250 4.107 3.832 4.168 . 0 0 "[ . 1 . 2]" 1
901 2 4 PHE H 2 67 LEU H . . 4.640 3.828 3.569 4.019 . 0 0 "[ . 1 . 2]" 1
902 2 4 PHE HA 2 4 PHE HD1 . . 3.720 2.805 2.330 2.890 . 0 0 "[ . 1 . 2]" 1
903 2 4 PHE HA 2 4 PHE HE1 . . 4.770 4.823 4.783 4.859 0.089 10 0 "[ . 1 . 2]" 1
904 2 4 PHE HA 2 5 VAL H . . 3.030 2.266 2.201 2.450 . 0 0 "[ . 1 . 2]" 1
905 2 4 PHE HA 2 5 VAL MG2 . . 4.460 3.830 3.707 3.963 . 0 0 "[ . 1 . 2]" 1
906 2 4 PHE HA 2 12 THR MG . . 4.060 2.601 2.459 2.748 . 0 0 "[ . 1 . 2]" 1
907 2 4 PHE HA 2 14 THR HA . . 3.640 3.011 2.955 3.168 . 0 0 "[ . 1 . 2]" 1
908 2 4 PHE HA 2 14 THR MG . . 4.270 3.247 3.116 3.381 . 0 0 "[ . 1 . 2]" 1
909 2 4 PHE HA 2 66 THR HA . . 4.750 4.283 4.121 4.371 . 0 0 "[ . 1 . 2]" 1
910 2 4 PHE HB2 2 5 VAL H . . 4.270 4.479 4.384 4.499 0.229 1 0 "[ . 1 . 2]" 1
911 2 4 PHE HB2 2 12 THR MG . . 3.230 3.319 3.286 3.338 0.108 3 0 "[ . 1 . 2]" 1
912 2 4 PHE HB2 2 66 THR HA . . 4.330 2.260 2.017 2.545 . 0 0 "[ . 1 . 2]" 1
913 2 4 PHE HB3 2 5 VAL H . . 4.910 4.028 3.944 4.290 . 0 0 "[ . 1 . 2]" 1
914 2 4 PHE HB3 2 12 THR MG . . 3.600 1.912 1.892 1.961 . 0 0 "[ . 1 . 2]" 1
915 2 4 PHE HB3 2 66 THR HA . . 3.970 3.625 3.319 4.011 0.041 16 0 "[ . 1 . 2]" 1
916 2 4 PHE HB3 2 66 THR MG . . 3.870 3.052 2.890 3.417 . 0 0 "[ . 1 . 2]" 1
917 2 4 PHE HB3 2 67 LEU H . . 5.360 4.489 4.334 4.951 . 0 0 "[ . 1 . 2]" 1
918 2 4 PHE HD1 2 5 VAL H . . 4.970 4.784 4.400 4.883 . 0 0 "[ . 1 . 2]" 1
919 2 4 PHE HD1 2 12 THR MG . . 4.230 4.255 3.983 4.314 0.084 8 0 "[ . 1 . 2]" 1
920 2 4 PHE HD1 2 14 THR HA . . 4.060 4.099 3.566 4.158 0.098 1 0 "[ . 1 . 2]" 1
921 2 4 PHE HD1 2 14 THR HB . . 5.500 5.421 4.798 5.545 0.045 1 0 "[ . 1 . 2]" 1
922 2 4 PHE HD1 2 14 THR MG . . 3.610 2.578 2.284 2.750 . 0 0 "[ . 1 . 2]" 1
923 2 4 PHE HD1 2 15 LEU H . . 5.410 5.166 4.843 5.322 . 0 0 "[ . 1 . 2]" 1
924 2 4 PHE HD1 2 64 GLU HA . . 4.540 2.921 2.716 3.890 . 0 0 "[ . 1 . 2]" 1
925 2 4 PHE HD1 2 64 GLU QG . . 5.500 5.572 5.269 5.629 0.129 8 0 "[ . 1 . 2]" 1
926 2 4 PHE HD1 2 66 THR HA . . 4.540 4.572 4.509 4.705 0.165 9 0 "[ . 1 . 2]" 1
927 2 4 PHE HD1 2 66 THR MG . . 5.500 5.507 5.423 5.531 0.031 2 0 "[ . 1 . 2]" 1
928 2 4 PHE HE1 2 14 THR HB . . 5.500 5.254 4.938 5.498 . 0 0 "[ . 1 . 2]" 1
929 2 4 PHE HE1 2 14 THR MG . . 3.360 2.560 2.396 2.737 . 0 0 "[ . 1 . 2]" 1
930 2 4 PHE HE1 2 64 GLU HA . . 3.740 3.641 3.100 3.823 0.083 16 0 "[ . 1 . 2]" 1
931 2 4 PHE HE1 2 64 GLU HB3 . . 3.950 3.479 3.303 4.008 0.058 9 0 "[ . 1 . 2]" 1
932 2 5 VAL H 2 5 VAL HB . . 3.630 2.596 2.483 2.777 . 0 0 "[ . 1 . 2]" 1
933 2 5 VAL H 2 5 VAL MG1 . . 3.920 3.787 3.733 3.814 . 0 0 "[ . 1 . 2]" 1
934 2 5 VAL H 2 5 VAL MG2 . . 3.340 2.133 1.842 2.288 . 0 0 "[ . 1 . 2]" 1
935 2 5 VAL H 2 6 LYS HA . . 5.500 5.248 5.161 5.372 . 0 0 "[ . 1 . 2]" 1
936 2 5 VAL H 2 12 THR HA . . 4.650 4.692 4.636 4.785 0.135 16 0 "[ . 1 . 2]" 1
937 2 5 VAL H 2 12 THR MG . . 3.580 3.266 3.139 3.467 . 0 0 "[ . 1 . 2]" 1
938 2 5 VAL H 2 13 ILE H . . 3.910 3.352 2.987 3.859 . 0 0 "[ . 1 . 2]" 1
939 2 5 VAL H 2 13 ILE HB . . 4.000 3.311 3.277 3.352 . 0 0 "[ . 1 . 2]" 1
940 2 5 VAL H 2 13 ILE MD . . 4.600 4.666 4.636 4.696 0.096 4 0 "[ . 1 . 2]" 1
941 2 5 VAL H 2 13 ILE MG . . 4.390 4.428 4.367 4.459 0.069 15 0 "[ . 1 . 2]" 1
942 2 5 VAL H 2 14 THR HA . . 4.290 3.448 3.318 3.664 . 0 0 "[ . 1 . 2]" 1
943 2 5 VAL H 2 14 THR MG . . 4.730 4.615 4.447 4.756 0.026 4 0 "[ . 1 . 2]" 1
944 2 5 VAL H 2 15 LEU H . . 4.790 4.598 4.490 4.800 0.010 10 0 "[ . 1 . 2]" 1
945 2 5 VAL H 2 15 LEU QD . . 5.000 3.491 3.288 3.704 . 0 0 "[ . 1 . 2]" 1
946 2 5 VAL HA 2 5 VAL MG1 . . 3.420 2.301 2.208 2.383 . 0 0 "[ . 1 . 2]" 1
947 2 5 VAL HA 2 5 VAL MG2 . . 3.300 2.457 2.379 2.565 . 0 0 "[ . 1 . 2]" 1
948 2 5 VAL HA 2 6 LYS H . . 3.030 2.208 2.183 2.235 . 0 0 "[ . 1 . 2]" 1
949 2 5 VAL HA 2 6 LYS HB2 . . 4.750 4.657 4.424 4.777 0.027 17 0 "[ . 1 . 2]" 1
950 2 5 VAL HA 2 66 THR HA . . 4.260 4.262 3.974 4.329 0.069 12 0 "[ . 1 . 2]" 1
951 2 5 VAL HA 2 66 THR MG . . 4.280 3.997 3.715 4.153 . 0 0 "[ . 1 . 2]" 1
952 2 5 VAL HA 2 67 LEU H . . 3.580 2.604 2.378 2.738 . 0 0 "[ . 1 . 2]" 1
953 2 5 VAL HA 2 67 LEU HB2 . . 3.950 2.701 2.537 2.841 . 0 0 "[ . 1 . 2]" 1
954 2 5 VAL HA 2 67 LEU HB3 . . 5.050 3.690 2.839 3.999 . 0 0 "[ . 1 . 2]" 1
955 2 5 VAL HA 2 68 HIS HA . . 4.580 3.906 3.698 4.052 . 0 0 "[ . 1 . 2]" 1
956 2 5 VAL HA 2 69 LEU H . . 5.500 5.478 5.235 5.604 0.104 7 0 "[ . 1 . 2]" 1
957 2 5 VAL HA 2 69 LEU QD . . 5.460 4.472 3.858 5.020 . 0 0 "[ . 1 . 2]" 1
958 2 5 VAL HB 2 6 LYS H . . 5.180 4.394 4.279 4.484 . 0 0 "[ . 1 . 2]" 1
959 2 5 VAL HB 2 12 THR MG . . 5.090 4.703 4.519 4.910 . 0 0 "[ . 1 . 2]" 1
960 2 5 VAL HB 2 13 ILE H . . 4.340 3.412 3.250 3.641 . 0 0 "[ . 1 . 2]" 1
961 2 5 VAL HB 2 13 ILE HB . . 3.260 2.202 2.107 2.380 . 0 0 "[ . 1 . 2]" 1
962 2 5 VAL HB 2 13 ILE MD . . 3.900 2.666 2.458 2.822 . 0 0 "[ . 1 . 2]" 1
963 2 5 VAL HB 2 13 ILE HG13 . . 4.900 3.776 3.582 3.991 . 0 0 "[ . 1 . 2]" 1
964 2 5 VAL HB 2 13 ILE MG . . 4.400 3.732 3.609 3.877 . 0 0 "[ . 1 . 2]" 1
965 2 5 VAL MG1 2 6 LYS H . . 3.490 3.135 2.997 3.260 . 0 0 "[ . 1 . 2]" 1
966 2 5 VAL MG1 2 6 LYS HA . . 4.730 4.288 4.168 4.459 . 0 0 "[ . 1 . 2]" 1
967 2 5 VAL MG1 2 7 THR H . . 4.900 4.533 4.195 4.932 0.032 11 0 "[ . 1 . 2]" 1
968 2 5 VAL MG1 2 7 THR HA . . 5.110 3.983 3.613 4.331 . 0 0 "[ . 1 . 2]" 1
969 2 5 VAL MG1 2 7 THR HB . . 4.600 4.514 4.216 4.804 0.204 10 0 "[ . 1 . 2]" 1
970 2 5 VAL MG1 2 13 ILE H . . 4.710 4.299 4.152 4.519 . 0 0 "[ . 1 . 2]" 1
971 2 5 VAL MG1 2 68 HIS HA . . 4.530 3.337 2.838 3.607 . 0 0 "[ . 1 . 2]" 1
972 2 5 VAL MG1 2 69 LEU H . . 3.770 3.633 3.169 3.810 0.040 2 0 "[ . 1 . 2]" 1
973 2 5 VAL MG2 2 13 ILE H . . 4.630 4.528 4.191 4.862 0.232 2 0 "[ . 1 . 2]" 1
974 2 5 VAL MG2 2 13 ILE HB . . 3.860 3.440 3.099 3.611 . 0 0 "[ . 1 . 2]" 1
975 2 5 VAL MG2 2 15 LEU H . . 4.840 4.110 3.876 4.502 . 0 0 "[ . 1 . 2]" 1
976 2 5 VAL MG2 2 67 LEU HB2 . . 3.650 2.341 2.133 2.536 . 0 0 "[ . 1 . 2]" 1
977 2 5 VAL MG2 2 67 LEU HB3 . . 4.090 3.470 2.621 3.792 . 0 0 "[ . 1 . 2]" 1
978 2 6 LYS H 2 6 LYS HB2 . . 3.600 2.645 2.520 2.743 . 0 0 "[ . 1 . 2]" 1
979 2 6 LYS H 2 6 LYS HB3 . . 3.560 2.361 2.245 2.583 . 0 0 "[ . 1 . 2]" 1
980 2 6 LYS H 2 6 LYS QD . . 4.580 4.538 4.251 4.638 0.058 19 0 "[ . 1 . 2]" 1
981 2 6 LYS H 2 6 LYS QE . . 4.650 4.500 4.245 4.719 0.069 16 0 "[ . 1 . 2]" 1
982 2 6 LYS H 2 6 LYS HG3 . . 4.400 4.395 4.247 4.472 0.072 7 0 "[ . 1 . 2]" 1
983 2 6 LYS H 2 7 THR H . . 4.850 4.475 4.376 4.573 . 0 0 "[ . 1 . 2]" 1
984 2 6 LYS H 2 12 THR HA . . 5.500 4.419 4.259 4.525 . 0 0 "[ . 1 . 2]" 1
985 2 6 LYS H 2 12 THR MG . . 5.150 4.066 3.781 4.290 . 0 0 "[ . 1 . 2]" 1
986 2 6 LYS H 2 66 THR MG . . 3.650 3.461 3.310 3.622 . 0 0 "[ . 1 . 2]" 1
987 2 6 LYS H 2 67 LEU H . . 4.310 3.189 2.994 3.299 . 0 0 "[ . 1 . 2]" 1
988 2 6 LYS H 2 68 HIS HA . . 3.460 2.701 2.497 2.854 . 0 0 "[ . 1 . 2]" 1
989 2 6 LYS H 2 69 LEU H . . 4.420 4.484 4.461 4.510 0.090 16 0 "[ . 1 . 2]" 1
990 2 6 LYS HA 2 6 LYS QD . . 4.190 3.422 1.980 4.195 0.005 1 0 "[ . 1 . 2]" 1
991 2 6 LYS HA 2 6 LYS QE . . 4.300 3.655 2.871 4.345 0.045 9 0 "[ . 1 . 2]" 1
992 2 6 LYS HA 2 6 LYS HG2 . . 3.940 3.383 2.805 3.869 . 0 0 "[ . 1 . 2]" 1
993 2 6 LYS HA 2 6 LYS HG3 . . 3.980 2.618 2.335 3.110 . 0 0 "[ . 1 . 2]" 1
994 2 6 LYS HA 2 7 THR H . . 2.910 2.094 2.064 2.154 . 0 0 "[ . 1 . 2]" 1
995 2 6 LYS HA 2 7 THR MG . . 3.920 3.948 3.878 3.991 0.071 12 0 "[ . 1 . 2]" 1
996 2 6 LYS HA 2 11 LYS H . . 4.900 5.006 4.986 5.025 0.125 9 0 "[ . 1 . 2]" 1
997 2 6 LYS HA 2 12 THR HA . . 3.810 2.212 2.097 2.414 . 0 0 "[ . 1 . 2]" 1
998 2 6 LYS HA 2 12 THR MG . . 3.940 3.483 3.391 3.725 . 0 0 "[ . 1 . 2]" 1
999 2 6 LYS HA 2 13 ILE H . . 4.050 3.489 3.325 3.688 . 0 0 "[ . 1 . 2]" 1
1000 2 6 LYS HB2 2 6 LYS QE . . 4.070 2.220 1.875 3.287 . 0 0 "[ . 1 . 2]" 1
1001 2 6 LYS HB2 2 7 THR H . . 4.310 4.262 4.123 4.355 0.045 9 0 "[ . 1 . 2]" 1
1002 2 6 LYS HB2 2 66 THR MG . . 4.440 3.340 3.052 3.518 . 0 0 "[ . 1 . 2]" 1
1003 2 6 LYS HB2 2 68 HIS HA . . 4.420 4.265 3.943 4.438 0.018 19 0 "[ . 1 . 2]" 1
1004 2 6 LYS HB2 2 68 HIS HD2 . . 4.520 4.085 3.817 4.366 . 0 0 "[ . 1 . 2]" 1
1005 2 6 LYS HB3 2 6 LYS QE . . 3.970 3.128 2.113 3.535 . 0 0 "[ . 1 . 2]" 1
1006 2 6 LYS HB3 2 66 THR MG . . 3.820 3.847 3.721 3.937 0.117 2 0 "[ . 1 . 2]" 1
1007 2 6 LYS HB3 2 67 LEU H . . 4.860 4.819 4.675 5.029 0.169 19 0 "[ . 1 . 2]" 1
1008 2 6 LYS HB3 2 68 HIS HA . . 4.370 2.748 2.376 3.243 . 0 0 "[ . 1 . 2]" 1
1009 2 6 LYS HB3 2 68 HIS HD2 . . 4.340 2.548 2.292 2.835 . 0 0 "[ . 1 . 2]" 1
1010 2 6 LYS QD 2 7 THR H . . 5.500 4.119 2.219 5.046 . 0 0 "[ . 1 . 2]" 1
1011 2 6 LYS QD 2 10 GLY HA2 . . 4.610 2.328 2.006 2.648 . 0 0 "[ . 1 . 2]" 1
1012 2 6 LYS QD 2 68 HIS HD2 . . 4.710 3.589 2.540 4.733 0.023 12 0 "[ . 1 . 2]" 1
1013 2 6 LYS QE 2 6 LYS HG2 . . 3.240 2.857 2.197 3.298 0.058 2 0 "[ . 1 . 2]" 1
1014 2 6 LYS QE 2 6 LYS HG3 . . 3.390 2.802 2.255 3.505 0.115 17 0 "[ . 1 . 2]" 1
1015 2 6 LYS QE 2 7 THR H . . 4.790 4.704 3.926 4.826 0.036 8 0 "[ . 1 . 2]" 1
1016 2 6 LYS QE 2 10 GLY HA2 . . 4.270 3.028 2.686 3.178 . 0 0 "[ . 1 . 2]" 1
1017 2 6 LYS HG2 2 7 THR H . . 4.300 3.776 3.028 4.480 0.180 17 0 "[ . 1 . 2]" 1
1018 2 6 LYS HG3 2 7 THR H . . 4.290 3.062 2.845 3.457 . 0 0 "[ . 1 . 2]" 1
1019 2 6 LYS HG3 2 12 THR HA . . 4.980 4.265 3.342 5.115 0.135 5 0 "[ . 1 . 2]" 1
1020 2 6 LYS HG3 2 68 HIS HD2 . . 5.080 4.209 2.956 5.145 0.065 9 0 "[ . 1 . 2]" 1
1021 2 7 THR H 2 7 THR MG . . 3.150 2.202 2.064 2.267 . 0 0 "[ . 1 . 2]" 1
1022 2 7 THR H 2 9 THR H . . 5.500 4.079 3.324 4.242 . 0 0 "[ . 1 . 2]" 1
1023 2 7 THR H 2 10 GLY H . . 4.650 4.127 3.915 4.330 . 0 0 "[ . 1 . 2]" 1
1024 2 7 THR H 2 11 LYS H . . 3.940 3.760 3.534 3.932 . 0 0 "[ . 1 . 2]" 1
1025 2 7 THR H 2 11 LYS HB3 . . 4.740 4.036 3.735 4.151 . 0 0 "[ . 1 . 2]" 1
1026 2 7 THR H 2 11 LYS QD . . 4.420 3.429 3.271 3.627 . 0 0 "[ . 1 . 2]" 1
1027 2 7 THR H 2 12 THR HA . . 3.900 3.205 3.028 3.712 . 0 0 "[ . 1 . 2]" 1
1028 2 7 THR H 2 13 ILE H . . 4.260 4.106 3.695 4.342 0.082 12 0 "[ . 1 . 2]" 1
1029 2 7 THR H 2 13 ILE MD . . 4.270 4.153 3.874 4.376 0.106 5 0 "[ . 1 . 2]" 1
1030 2 7 THR H 2 69 LEU QD . . 5.230 4.349 3.129 5.252 0.022 12 0 "[ . 1 . 2]" 1
1031 2 7 THR HA 2 7 THR MG . . 3.230 3.198 3.187 3.231 0.001 2 0 "[ . 1 . 2]" 1
1032 2 7 THR HA 2 8 LEU H . . 3.200 2.462 2.416 2.876 . 0 0 "[ . 1 . 2]" 1
1033 2 7 THR HA 2 8 LEU HA . . 4.700 4.333 4.270 4.795 0.095 2 0 "[ . 1 . 2]" 1
1034 2 7 THR HA 2 8 LEU QB . . 4.430 4.482 4.331 4.527 0.097 9 0 "[ . 1 . 2]" 1
1035 2 7 THR HA 2 8 LEU HG . . 4.790 3.782 3.324 3.935 . 0 0 "[ . 1 . 2]" 1
1036 2 7 THR HA 2 9 THR H . . 4.520 4.200 4.160 4.492 . 0 0 "[ . 1 . 2]" 1
1037 2 7 THR HA 2 69 LEU H . . 3.950 3.409 2.986 3.991 0.041 2 0 "[ . 1 . 2]" 1
1038 2 7 THR HA 2 69 LEU HB2 . . 4.670 3.883 2.880 4.907 0.237 19 0 "[ . 1 . 2]" 1
1039 2 7 THR HA 2 69 LEU HB3 . . 4.680 3.256 2.181 4.726 0.046 7 0 "[ . 1 . 2]" 1
1040 2 7 THR HA 2 69 LEU QD . . 4.300 2.752 1.684 3.498 . 0 0 "[ . 1 . 2]" 1
1041 2 7 THR HB 2 8 LEU H . . 4.210 3.845 3.716 4.385 0.175 2 0 "[ . 1 . 2]" 1
1042 2 7 THR HB 2 11 LYS QD . . 2.870 2.987 2.949 3.042 0.172 14 0 "[ . 1 . 2]" 1
1043 2 7 THR HB 2 13 ILE MD . . 4.130 2.515 2.040 2.645 . 0 0 "[ . 1 . 2]" 1
1044 2 7 THR HB 2 13 ILE HG13 . . 4.830 3.003 2.535 3.334 . 0 0 "[ . 1 . 2]" 1
1045 2 7 THR HB 2 69 LEU QD . . 4.000 3.284 2.194 4.019 0.019 2 0 "[ . 1 . 2]" 1
1046 2 7 THR MG 2 8 LEU H . . 3.690 2.889 2.777 3.499 . 0 0 "[ . 1 . 2]" 1
1047 2 7 THR MG 2 9 THR H . . 3.140 1.873 1.796 2.593 . 0 0 "[ . 1 . 2]" 1
1048 2 7 THR MG 2 10 GLY H . . 4.000 3.000 2.850 3.703 . 0 0 "[ . 1 . 2]" 1
1049 2 7 THR MG 2 11 LYS H . . 4.120 2.232 2.059 2.844 . 0 0 "[ . 1 . 2]" 1
1050 2 7 THR MG 2 11 LYS HA . . 5.140 3.938 3.879 4.252 . 0 0 "[ . 1 . 2]" 1
1051 2 7 THR MG 2 11 LYS HB3 . . 4.040 1.965 1.910 2.018 . 0 0 "[ . 1 . 2]" 1
1052 2 7 THR MG 2 11 LYS QD . . 3.440 2.174 2.027 2.370 . 0 0 "[ . 1 . 2]" 1
1053 2 7 THR MG 2 11 LYS QE . . 5.010 3.923 3.646 4.176 . 0 0 "[ . 1 . 2]" 1
1054 2 7 THR MG 2 11 LYS HG3 . . 4.040 3.731 3.575 3.819 . 0 0 "[ . 1 . 2]" 1
1055 2 7 THR MG 2 12 THR H . . 5.460 4.485 4.366 4.693 . 0 0 "[ . 1 . 2]" 1
1056 2 7 THR MG 2 12 THR HA . . 4.510 4.298 4.184 4.527 0.017 2 0 "[ . 1 . 2]" 1
1057 2 7 THR MG 2 13 ILE H . . 5.500 4.953 4.480 5.407 . 0 0 "[ . 1 . 2]" 1
1058 2 7 THR MG 2 13 ILE MD . . 3.800 3.731 3.339 3.815 0.015 13 0 "[ . 1 . 2]" 1
1059 2 8 LEU H 2 8 LEU QB . . 3.170 2.301 2.182 3.436 0.266 2 0 "[ . 1 . 2]" 1
1060 2 8 LEU H 2 8 LEU QD . . 3.720 3.131 2.918 3.204 . 0 0 "[ . 1 . 2]" 1
1061 2 8 LEU H 2 8 LEU HG . . 3.830 2.419 2.207 3.135 . 0 0 "[ . 1 . 2]" 1
1062 2 8 LEU H 2 9 THR H . . 3.810 3.099 2.693 3.170 . 0 0 "[ . 1 . 2]" 1
1063 2 8 LEU H 2 10 GLY H . . 5.500 4.623 3.605 4.765 . 0 0 "[ . 1 . 2]" 1
1064 2 8 LEU H 2 13 ILE MD . . 5.300 5.356 5.171 5.448 0.148 2 0 "[ . 1 . 2]" 1
1065 2 8 LEU H 2 69 LEU H . . 5.360 4.853 3.946 5.098 . 0 0 "[ . 1 . 2]" 1
1066 2 8 LEU H 2 69 LEU QD . . 5.500 3.766 2.060 5.252 . 0 0 "[ . 1 . 2]" 1
1067 2 8 LEU HA 2 8 LEU QD . . 3.040 1.968 1.907 2.095 . 0 0 "[ . 1 . 2]" 1
1068 2 8 LEU HA 2 8 LEU HG . . 3.910 3.019 2.926 3.210 . 0 0 "[ . 1 . 2]" 1
1069 2 8 LEU HA 2 10 GLY H . . 5.150 3.907 3.704 3.983 . 0 0 "[ . 1 . 2]" 1
1070 2 8 LEU QB 2 9 THR H . . 4.220 3.688 3.626 3.771 . 0 0 "[ . 1 . 2]" 1
1071 2 8 LEU QB 2 71 LEU QD . . 4.630 4.090 3.640 4.535 . 0 0 "[ . 1 . 2]" 1
1072 2 8 LEU QD 2 68 HIS HB3 . . 4.710 4.472 3.240 4.677 . 0 0 "[ . 1 . 2]" 1
1073 2 8 LEU QD 2 68 HIS HD2 . . 5.140 5.087 3.853 5.207 0.067 1 0 "[ . 1 . 2]" 1
1074 2 8 LEU QD 2 70 VAL HA . . 3.770 1.917 1.806 2.078 . 0 0 "[ . 1 . 2]" 1
1075 2 8 LEU QD 2 70 VAL QG . . 3.920 2.424 2.155 2.774 . 0 0 "[ . 1 . 2]" 1
1076 2 8 LEU QD 2 71 LEU H . . 4.200 2.161 1.904 2.357 . 0 0 "[ . 1 . 2]" 1
1077 2 8 LEU HG 2 70 VAL HA . . 4.960 2.925 2.406 3.578 . 0 0 "[ . 1 . 2]" 1
1078 2 8 LEU HG 2 70 VAL QG . . 4.810 4.195 3.787 4.841 0.031 2 0 "[ . 1 . 2]" 1
1079 2 8 LEU HG 2 71 LEU H . . 4.930 3.253 2.782 3.747 . 0 0 "[ . 1 . 2]" 1
1080 2 8 LEU HG 2 71 LEU QD . . 4.230 4.100 3.877 4.249 0.019 10 0 "[ . 1 . 2]" 1
1081 2 9 THR H 2 10 GLY H . . 3.290 1.930 1.874 1.994 . 0 0 "[ . 1 . 2]" 1
1082 2 9 THR H 2 10 GLY HA2 . . 5.250 4.264 4.191 4.339 . 0 0 "[ . 1 . 2]" 1
1083 2 9 THR H 2 11 LYS H . . 3.860 3.018 2.918 3.099 . 0 0 "[ . 1 . 2]" 1
1084 2 9 THR HA 2 9 THR MG . . 3.090 2.386 2.363 2.407 . 0 0 "[ . 1 . 2]" 1
1085 2 9 THR HB 2 11 LYS H . . 4.840 4.151 3.844 4.360 . 0 0 "[ . 1 . 2]" 1
1086 2 10 GLY H 2 11 LYS H . . 3.100 2.481 2.381 2.631 . 0 0 "[ . 1 . 2]" 1
1087 2 10 GLY HA3 2 11 LYS HA . . 4.720 4.545 4.514 4.586 . 0 0 "[ . 1 . 2]" 1
1088 2 11 LYS H 2 11 LYS HB2 . . 3.500 2.762 2.626 2.864 . 0 0 "[ . 1 . 2]" 1
1089 2 11 LYS H 2 11 LYS HB3 . . 3.290 2.203 2.156 2.330 . 0 0 "[ . 1 . 2]" 1
1090 2 11 LYS H 2 11 LYS QD . . 4.530 3.892 3.795 4.104 . 0 0 "[ . 1 . 2]" 1
1091 2 11 LYS H 2 11 LYS HG3 . . 4.500 4.562 4.528 4.588 0.088 18 0 "[ . 1 . 2]" 1
1092 2 11 LYS H 2 12 THR H . . 4.650 4.619 4.586 4.648 . 0 0 "[ . 1 . 2]" 1
1093 2 11 LYS HA 2 11 LYS QD . . 4.480 3.654 3.561 3.725 . 0 0 "[ . 1 . 2]" 1
1094 2 11 LYS HA 2 11 LYS HG2 . . 3.900 2.648 2.519 2.707 . 0 0 "[ . 1 . 2]" 1
1095 2 11 LYS HA 2 11 LYS HG3 . . 3.790 3.690 3.638 3.739 . 0 0 "[ . 1 . 2]" 1
1096 2 11 LYS HA 2 12 THR H . . 2.690 2.340 2.264 2.412 . 0 0 "[ . 1 . 2]" 1
1097 2 11 LYS HA 2 12 THR HA . . 4.650 4.436 4.408 4.458 . 0 0 "[ . 1 . 2]" 1
1098 2 11 LYS HA 2 12 THR HB . . 4.310 4.365 4.348 4.390 0.080 14 0 "[ . 1 . 2]" 1
1099 2 11 LYS HB2 2 11 LYS QE . . 4.620 4.464 4.313 4.545 . 0 0 "[ . 1 . 2]" 1
1100 2 11 LYS HB2 2 12 THR H . . 4.280 3.913 3.853 4.017 . 0 0 "[ . 1 . 2]" 1
1101 2 11 LYS HB3 2 11 LYS QE . . 4.120 4.057 3.827 4.128 0.008 2 0 "[ . 1 . 2]" 1
1102 2 11 LYS HB3 2 12 THR H . . 4.320 4.033 3.966 4.098 . 0 0 "[ . 1 . 2]" 1
1103 2 11 LYS HB3 2 12 THR HA . . 5.440 5.113 5.014 5.169 . 0 0 "[ . 1 . 2]" 1
1104 2 11 LYS QD 2 12 THR H . . 4.700 2.869 2.727 2.992 . 0 0 "[ . 1 . 2]" 1
1105 2 11 LYS QD 2 13 ILE HG12 . . 3.350 2.888 2.593 3.207 . 0 0 "[ . 1 . 2]" 1
1106 2 11 LYS QE 2 11 LYS HG2 . . 3.280 2.514 2.308 3.098 . 0 0 "[ . 1 . 2]" 1
1107 2 11 LYS QE 2 11 LYS HG3 . . 3.320 2.785 2.341 2.942 . 0 0 "[ . 1 . 2]" 1
1108 2 11 LYS QE 2 12 THR H . . 4.670 3.469 3.021 4.433 . 0 0 "[ . 1 . 2]" 1
1109 2 11 LYS QE 2 13 ILE MD . . 4.340 3.428 3.205 3.636 . 0 0 "[ . 1 . 2]" 1
1110 2 11 LYS QE 2 13 ILE HG12 . . 4.200 1.880 1.810 2.026 . 0 0 "[ . 1 . 2]" 1
1111 2 11 LYS QE 2 13 ILE HG13 . . 5.120 2.826 2.588 3.097 . 0 0 "[ . 1 . 2]" 1
1112 2 11 LYS QE 2 13 ILE MG . . 4.290 3.102 2.620 3.562 . 0 0 "[ . 1 . 2]" 1
1113 2 11 LYS HG2 2 12 THR H . . 3.940 2.158 1.991 2.293 . 0 0 "[ . 1 . 2]" 1
1114 2 11 LYS HG3 2 12 THR H . . 3.940 3.866 3.716 3.965 0.025 2 0 "[ . 1 . 2]" 1
1115 2 12 THR H 2 12 THR HB . . 3.160 2.513 2.462 2.580 . 0 0 "[ . 1 . 2]" 1
1116 2 12 THR H 2 12 THR MG . . 3.760 3.808 3.783 3.830 0.070 1 0 "[ . 1 . 2]" 1
1117 2 12 THR H 2 13 ILE H . . 4.500 4.302 4.043 4.456 . 0 0 "[ . 1 . 2]" 1
1118 2 12 THR HA 2 12 THR MG . . 3.140 2.417 2.353 2.453 . 0 0 "[ . 1 . 2]" 1
1119 2 12 THR HA 2 13 ILE H . . 2.960 2.146 2.115 2.183 . 0 0 "[ . 1 . 2]" 1
1120 2 12 THR HA 2 13 ILE HA . . 4.530 4.447 4.420 4.468 . 0 0 "[ . 1 . 2]" 1
1121 2 12 THR HA 2 13 ILE MD . . 4.920 4.712 4.520 4.891 . 0 0 "[ . 1 . 2]" 1
1122 2 12 THR HA 2 13 ILE HG13 . . 4.590 3.414 3.250 3.623 . 0 0 "[ . 1 . 2]" 1
1123 2 12 THR HB 2 13 ILE H . . 4.840 4.255 4.022 4.490 . 0 0 "[ . 1 . 2]" 1
1124 2 12 THR MG 2 13 ILE H . . 3.300 2.769 2.359 3.271 . 0 0 "[ . 1 . 2]" 1
1125 2 12 THR MG 2 13 ILE HA . . 4.540 3.911 3.655 4.238 . 0 0 "[ . 1 . 2]" 1
1126 2 12 THR MG 2 13 ILE HB . . 4.810 4.500 4.333 4.687 . 0 0 "[ . 1 . 2]" 1
1127 2 12 THR MG 2 14 THR H . . 4.650 4.526 4.286 4.683 0.033 5 0 "[ . 1 . 2]" 1
1128 2 13 ILE H 2 13 ILE HB . . 3.470 2.620 2.564 2.673 . 0 0 "[ . 1 . 2]" 1
1129 2 13 ILE H 2 13 ILE MD . . 3.960 3.496 3.258 3.702 . 0 0 "[ . 1 . 2]" 1
1130 2 13 ILE H 2 13 ILE HG12 . . 4.000 3.523 3.174 3.846 . 0 0 "[ . 1 . 2]" 1
1131 2 13 ILE H 2 13 ILE HG13 . . 3.770 2.177 1.819 2.526 . 0 0 "[ . 1 . 2]" 1
1132 2 13 ILE H 2 13 ILE MG . . 3.810 3.786 3.714 3.854 0.044 8 0 "[ . 1 . 2]" 1
1133 2 13 ILE H 2 14 THR H . . 4.460 4.531 4.444 4.596 0.136 1 0 "[ . 1 . 2]" 1
1134 2 13 ILE HA 2 13 ILE MD . . 4.220 3.991 3.958 4.022 . 0 0 "[ . 1 . 2]" 1
1135 2 13 ILE HA 2 13 ILE HG12 . . 3.700 2.865 2.784 2.932 . 0 0 "[ . 1 . 2]" 1
1136 2 13 ILE HA 2 13 ILE HG13 . . 3.900 3.193 3.102 3.265 . 0 0 "[ . 1 . 2]" 1
1137 2 13 ILE HA 2 13 ILE MG . . 3.170 2.285 2.259 2.314 . 0 0 "[ . 1 . 2]" 1
1138 2 13 ILE HA 2 14 THR H . . 2.720 2.301 2.236 2.361 . 0 0 "[ . 1 . 2]" 1
1139 2 13 ILE HA 2 14 THR HA . . 5.000 4.485 4.452 4.506 . 0 0 "[ . 1 . 2]" 1
1140 2 13 ILE HA 2 14 THR MG . . 5.360 5.382 5.333 5.409 0.049 2 0 "[ . 1 . 2]" 1
1141 2 13 ILE HA 2 15 LEU QD . . 5.040 4.120 3.978 4.620 . 0 0 "[ . 1 . 2]" 1
1142 2 13 ILE HB 2 13 ILE MD . . 3.200 2.262 2.237 2.289 . 0 0 "[ . 1 . 2]" 1
1143 2 13 ILE HB 2 14 THR H . . 4.280 3.820 3.713 4.031 . 0 0 "[ . 1 . 2]" 1
1144 2 13 ILE HB 2 14 THR HA . . 4.770 4.465 4.379 4.609 . 0 0 "[ . 1 . 2]" 1
1145 2 13 ILE MD 2 13 ILE MG . . 2.850 2.076 2.041 2.118 . 0 0 "[ . 1 . 2]" 1
1146 2 13 ILE MD 2 14 THR H . . 5.500 5.058 4.989 5.182 . 0 0 "[ . 1 . 2]" 1
1147 2 13 ILE MD 2 30 ILE HA . . 4.410 3.675 3.397 3.871 . 0 0 "[ . 1 . 2]" 1
1148 2 13 ILE MD 2 34 GLU H . . 4.560 4.592 4.565 4.624 0.064 9 0 "[ . 1 . 2]" 1
1149 2 13 ILE MD 2 34 GLU HA . . 5.070 5.095 5.004 5.124 0.054 5 0 "[ . 1 . 2]" 1
1150 2 13 ILE MD 2 34 GLU HG2 . . 4.210 2.601 2.514 2.671 . 0 0 "[ . 1 . 2]" 1
1151 2 13 ILE MD 2 34 GLU HG3 . . 4.000 2.278 2.136 2.360 . 0 0 "[ . 1 . 2]" 1
1152 2 13 ILE HG12 2 14 THR H . . 5.280 4.733 4.695 4.771 . 0 0 "[ . 1 . 2]" 1
1153 2 13 ILE HG13 2 14 THR H . . 5.110 5.147 5.129 5.167 0.057 4 0 "[ . 1 . 2]" 1
1154 2 13 ILE MG 2 14 THR H . . 3.280 2.254 2.124 2.520 . 0 0 "[ . 1 . 2]" 1
1155 2 13 ILE MG 2 14 THR HB . . 5.390 4.755 4.682 4.906 . 0 0 "[ . 1 . 2]" 1
1156 2 13 ILE MG 2 15 LEU HA . . 5.030 5.009 4.826 5.070 0.040 20 0 "[ . 1 . 2]" 1
1157 2 13 ILE MG 2 15 LEU QD . . 2.800 1.926 1.867 2.156 . 0 0 "[ . 1 . 2]" 1
1158 2 13 ILE MG 2 30 ILE HA . . 4.240 3.021 2.821 3.168 . 0 0 "[ . 1 . 2]" 1
1159 2 13 ILE MG 2 33 LYS H . . 4.880 4.219 4.149 4.292 . 0 0 "[ . 1 . 2]" 1
1160 2 13 ILE MG 2 33 LYS HB2 . . 4.490 2.400 2.347 2.467 . 0 0 "[ . 1 . 2]" 1
1161 2 13 ILE MG 2 33 LYS HB3 . . 4.380 2.005 1.966 2.078 . 0 0 "[ . 1 . 2]" 1
1162 2 13 ILE MG 2 33 LYS QD . . 3.680 2.726 2.490 3.144 . 0 0 "[ . 1 . 2]" 1
1163 2 13 ILE MG 2 33 LYS HE2 . . 4.090 4.154 4.112 4.179 0.089 15 0 "[ . 1 . 2]" 1
1164 2 13 ILE MG 2 33 LYS HE3 . . 4.050 3.099 2.977 3.300 . 0 0 "[ . 1 . 2]" 1
1165 2 13 ILE MG 2 34 GLU H . . 4.360 4.413 4.376 4.447 0.087 7 0 "[ . 1 . 2]" 1
1166 2 13 ILE MG 2 34 GLU HG2 . . 5.130 2.944 2.748 3.103 . 0 0 "[ . 1 . 2]" 1
1167 2 13 ILE MG 2 34 GLU HG3 . . 5.090 3.776 3.583 3.945 . 0 0 "[ . 1 . 2]" 1
1168 2 14 THR H 2 14 THR HB . . 3.070 2.917 2.844 3.025 . 0 0 "[ . 1 . 2]" 1
1169 2 14 THR H 2 14 THR MG . . 4.200 3.968 3.945 4.014 . 0 0 "[ . 1 . 2]" 1
1170 2 14 THR H 2 15 LEU H . . 4.280 4.097 4.011 4.170 . 0 0 "[ . 1 . 2]" 1
1171 2 14 THR H 2 15 LEU QD . . 4.900 3.097 2.929 4.036 . 0 0 "[ . 1 . 2]" 1
1172 2 14 THR H 2 33 LYS HE2 . . 4.750 4.771 4.715 4.834 0.084 7 0 "[ . 1 . 2]" 1
1173 2 14 THR H 2 33 LYS HE3 . . 4.850 3.035 2.986 3.111 . 0 0 "[ . 1 . 2]" 1
1174 2 14 THR HA 2 14 THR MG . . 3.040 2.232 2.180 2.280 . 0 0 "[ . 1 . 2]" 1
1175 2 14 THR HA 2 15 LEU H . . 3.040 2.113 2.065 2.159 . 0 0 "[ . 1 . 2]" 1
1176 2 14 THR HA 2 15 LEU QD . . 5.210 2.722 2.572 3.159 . 0 0 "[ . 1 . 2]" 1
1177 2 14 THR HB 2 15 LEU H . . 4.410 4.286 4.204 4.360 . 0 0 "[ . 1 . 2]" 1
1178 2 14 THR HB 2 15 LEU QD . . 5.180 4.581 4.478 5.152 . 0 0 "[ . 1 . 2]" 1
1179 2 14 THR MG 2 15 LEU H . . 3.170 2.949 2.795 3.093 . 0 0 "[ . 1 . 2]" 1
1180 2 14 THR MG 2 15 LEU HA . . 4.350 3.836 3.704 4.114 . 0 0 "[ . 1 . 2]" 1
1181 2 15 LEU H 2 15 LEU HB3 . . 3.820 3.499 3.364 3.686 . 0 0 "[ . 1 . 2]" 1
1182 2 15 LEU H 2 15 LEU QD . . 4.070 1.970 1.765 2.410 . 0 0 "[ . 1 . 2]" 1
1183 2 15 LEU H 2 15 LEU HG . . 4.620 3.635 2.094 4.185 . 0 0 "[ . 1 . 2]" 1
1184 2 15 LEU H 2 16 GLU H . . 4.520 4.387 4.284 4.422 . 0 0 "[ . 1 . 2]" 1
1185 2 15 LEU HA 2 15 LEU QD . . 3.420 3.248 3.177 3.420 0.000 16 0 "[ . 1 . 2]" 1
1186 2 15 LEU HA 2 16 GLU H . . 2.820 2.236 1.981 2.344 . 0 0 "[ . 1 . 2]" 1
1187 2 15 LEU HA 2 16 GLU HB2 . . 4.840 4.695 4.555 5.343 0.503 16 1 "[ . 1 .+ 2]" 1
1188 2 15 LEU HA 2 16 GLU HG2 . . 4.800 4.898 3.509 5.106 0.306 19 0 "[ . 1 . 2]" 1
1189 2 15 LEU HA 2 17 VAL QG . . 5.500 4.985 4.585 5.591 0.091 17 0 "[ . 1 . 2]" 1
1190 2 15 LEU HA 2 33 LYS HE2 . . 4.410 3.325 3.226 3.421 . 0 0 "[ . 1 . 2]" 1
1191 2 15 LEU HA 2 33 LYS HE3 . . 4.460 3.196 2.897 3.479 . 0 0 "[ . 1 . 2]" 1
1192 2 15 LEU HB2 2 16 GLU H . . 3.970 2.682 2.509 3.152 . 0 0 "[ . 1 . 2]" 1
1193 2 15 LEU HB2 2 16 GLU HA . . 5.050 4.869 4.819 5.015 . 0 0 "[ . 1 . 2]" 1
1194 2 15 LEU HB2 2 17 VAL QG . . 5.360 4.199 3.557 5.128 . 0 0 "[ . 1 . 2]" 1
1195 2 15 LEU HB2 2 29 LYS HG3 . . 4.700 4.883 4.814 4.951 0.251 1 0 "[ . 1 . 2]" 1
1196 2 15 LEU HB2 2 33 LYS HG3 . . 4.090 4.098 3.909 4.168 0.078 10 0 "[ . 1 . 2]" 1
1197 2 15 LEU HB3 2 16 GLU H . . 4.130 3.718 3.626 3.973 . 0 0 "[ . 1 . 2]" 1
1198 2 15 LEU QD 2 16 GLU H . . 5.130 3.683 3.398 4.239 . 0 0 "[ . 1 . 2]" 1
1199 2 15 LEU QD 2 17 VAL H . . 5.310 4.947 4.624 5.374 0.064 7 0 "[ . 1 . 2]" 1
1200 2 15 LEU QD 2 29 LYS H . . 4.950 4.003 3.628 4.214 . 0 0 "[ . 1 . 2]" 1
1201 2 15 LEU QD 2 29 LYS HB2 . . 4.170 2.213 1.937 2.363 . 0 0 "[ . 1 . 2]" 1
1202 2 15 LEU QD 2 29 LYS HB3 . . 4.540 2.269 1.951 2.762 . 0 0 "[ . 1 . 2]" 1
1203 2 15 LEU QD 2 29 LYS HE2 . . 5.360 4.790 4.648 5.397 0.037 1 0 "[ . 1 . 2]" 1
1204 2 15 LEU QD 2 29 LYS HE3 . . 5.250 4.416 4.050 5.256 0.006 1 0 "[ . 1 . 2]" 1
1205 2 15 LEU QD 2 29 LYS HG2 . . 5.430 3.583 3.334 4.100 . 0 0 "[ . 1 . 2]" 1
1206 2 15 LEU QD 2 29 LYS HG3 . . 4.670 3.985 3.317 4.235 . 0 0 "[ . 1 . 2]" 1
1207 2 15 LEU QD 2 30 ILE H . . 4.160 3.395 2.765 3.767 . 0 0 "[ . 1 . 2]" 1
1208 2 15 LEU QD 2 30 ILE HA . . 3.680 2.994 2.349 3.197 . 0 0 "[ . 1 . 2]" 1
1209 2 15 LEU QD 2 30 ILE QG . . 4.200 2.120 1.939 2.279 . 0 0 "[ . 1 . 2]" 1
1210 2 15 LEU QD 2 33 LYS H . . 4.980 4.454 3.475 4.683 . 0 0 "[ . 1 . 2]" 1
1211 2 15 LEU QD 2 33 LYS HA . . 5.210 5.181 4.662 5.253 0.043 3 0 "[ . 1 . 2]" 1
1212 2 15 LEU QD 2 33 LYS QD . . 3.710 3.734 3.725 3.755 0.045 1 0 "[ . 1 . 2]" 1
1213 2 15 LEU QD 2 33 LYS HE2 . . 3.960 3.623 3.336 3.873 . 0 0 "[ . 1 . 2]" 1
1214 2 15 LEU QD 2 33 LYS HE3 . . 3.880 2.974 2.847 3.591 . 0 0 "[ . 1 . 2]" 1
1215 2 15 LEU QD 2 33 LYS HG2 . . 3.850 3.291 2.219 3.434 . 0 0 "[ . 1 . 2]" 1
1216 2 16 GLU H 2 16 GLU HB2 . . 3.270 2.558 2.420 3.475 0.205 16 0 "[ . 1 . 2]" 1
1217 2 16 GLU H 2 16 GLU HB3 . . 3.430 3.457 2.583 3.579 0.149 10 0 "[ . 1 . 2]" 1
1218 2 16 GLU H 2 16 GLU HG2 . . 3.950 3.488 1.770 3.716 . 0 0 "[ . 1 . 2]" 1
1219 2 16 GLU H 2 16 GLU HG3 . . 3.870 3.243 2.932 3.345 . 0 0 "[ . 1 . 2]" 1
1220 2 16 GLU H 2 17 VAL H . . 4.560 4.551 4.484 4.579 0.019 11 0 "[ . 1 . 2]" 1
1221 2 16 GLU H 2 17 VAL QG . . 5.080 4.193 3.934 4.850 . 0 0 "[ . 1 . 2]" 1
1222 2 16 GLU H 2 33 LYS HE2 . . 4.690 4.720 4.682 4.749 0.059 2 0 "[ . 1 . 2]" 1
1223 2 16 GLU HA 2 16 GLU HG3 . . 3.590 2.599 2.390 3.716 0.126 15 0 "[ . 1 . 2]" 1
1224 2 16 GLU HA 2 17 VAL H . . 2.940 2.213 2.048 2.289 . 0 0 "[ . 1 . 2]" 1
1225 2 16 GLU HA 2 17 VAL QG . . 3.440 3.096 2.939 3.338 . 0 0 "[ . 1 . 2]" 1
1226 2 16 GLU HB2 2 17 VAL H . . 4.580 3.710 2.706 3.961 . 0 0 "[ . 1 . 2]" 1
1227 2 16 GLU HB3 2 16 GLU HG2 . . 3.050 2.403 2.365 2.542 . 0 0 "[ . 1 . 2]" 1
1228 2 16 GLU HB3 2 16 GLU HG3 . . 2.970 2.557 2.474 3.045 0.075 16 0 "[ . 1 . 2]" 1
1229 2 16 GLU HB3 2 17 VAL H . . 3.860 2.872 2.542 3.899 0.039 16 0 "[ . 1 . 2]" 1
1230 2 16 GLU HG2 2 17 VAL H . . 4.840 4.953 4.880 5.019 0.179 7 0 "[ . 1 . 2]" 1
1231 2 16 GLU HG3 2 17 VAL H . . 4.140 4.205 3.996 4.284 0.144 19 0 "[ . 1 . 2]" 1
1232 2 17 VAL H 2 17 VAL QG . . 3.160 2.330 2.214 2.543 . 0 0 "[ . 1 . 2]" 1
1233 2 17 VAL H 2 18 GLU H . . 4.900 4.425 4.347 4.477 . 0 0 "[ . 1 . 2]" 1
1234 2 17 VAL HA 2 17 VAL QG . . 3.150 2.303 2.255 2.344 . 0 0 "[ . 1 . 2]" 1
1235 2 17 VAL HA 2 18 GLU H . . 3.040 2.529 2.461 2.632 . 0 0 "[ . 1 . 2]" 1
1236 2 17 VAL HA 2 18 GLU HG2 . . 4.530 4.488 2.883 4.613 0.083 10 0 "[ . 1 . 2]" 1
1237 2 17 VAL HA 2 29 LYS HE2 . . 4.530 4.527 4.318 4.593 0.063 2 0 "[ . 1 . 2]" 1
1238 2 17 VAL HA 2 29 LYS HE3 . . 4.050 3.068 2.800 3.808 . 0 0 "[ . 1 . 2]" 1
1239 2 17 VAL HB 2 18 GLU H . . 3.240 2.352 1.957 3.586 0.346 19 0 "[ . 1 . 2]" 1
1240 2 17 VAL HB 2 26 VAL MG2 . . 5.320 3.418 3.163 3.817 . 0 0 "[ . 1 . 2]" 1
1241 2 17 VAL HB 2 56 LEU QD . . 3.730 2.506 1.917 3.801 0.071 17 0 "[ . 1 . 2]" 1
1242 2 17 VAL QG 2 18 GLU H . . 3.680 2.819 1.530 3.081 . 0 0 "[ . 1 . 2]" 1
1243 2 17 VAL QG 2 18 GLU HA . . 4.740 3.648 3.399 3.805 . 0 0 "[ . 1 . 2]" 1
1244 2 17 VAL QG 2 25 ASN HB3 . . 5.160 3.940 3.297 4.462 . 0 0 "[ . 1 . 2]" 1
1245 2 17 VAL QG 2 25 ASN HD21 . . 5.500 4.778 3.801 5.514 0.014 4 0 "[ . 1 . 2]" 1
1246 2 17 VAL QG 2 26 VAL HA . . 4.360 3.165 2.946 3.779 . 0 0 "[ . 1 . 2]" 1
1247 2 17 VAL QG 2 26 VAL MG1 . . 5.080 2.930 2.564 3.530 . 0 0 "[ . 1 . 2]" 1
1248 2 17 VAL QG 2 29 LYS QD . . 4.120 2.196 1.974 3.338 . 0 0 "[ . 1 . 2]" 1
1249 2 17 VAL QG 2 29 LYS HE2 . . 4.000 3.758 3.355 4.068 0.068 17 0 "[ . 1 . 2]" 1
1250 2 17 VAL QG 2 29 LYS HE3 . . 3.730 2.391 1.872 2.805 . 0 0 "[ . 1 . 2]" 1
1251 2 17 VAL QG 2 29 LYS HG3 . . 4.500 4.491 4.333 4.612 0.112 13 0 "[ . 1 . 2]" 1
1252 2 17 VAL QG 2 56 LEU QD . . 3.640 2.017 1.691 2.358 . 0 0 "[ . 1 . 2]" 1
1253 2 17 VAL QG 2 56 LEU HG . . 5.420 3.193 2.035 4.032 . 0 0 "[ . 1 . 2]" 1
1254 2 18 GLU H 2 18 GLU HB2 . . 3.980 2.769 2.628 2.835 . 0 0 "[ . 1 . 2]" 1
1255 2 18 GLU H 2 18 GLU HG2 . . 4.120 3.957 2.875 4.097 . 0 0 "[ . 1 . 2]" 1
1256 2 18 GLU H 2 18 GLU HG3 . . 3.960 3.125 2.975 4.122 0.162 19 0 "[ . 1 . 2]" 1
1257 2 18 GLU H 2 20 SER H . . 4.870 4.024 3.900 4.191 . 0 0 "[ . 1 . 2]" 1
1258 2 18 GLU H 2 21 ASP H . . 4.140 3.296 3.132 3.478 . 0 0 "[ . 1 . 2]" 1
1259 2 18 GLU H 2 21 ASP HB2 . . 4.490 2.486 2.237 3.880 . 0 0 "[ . 1 . 2]" 1
1260 2 18 GLU H 2 21 ASP HB3 . . 4.760 3.705 2.348 4.032 . 0 0 "[ . 1 . 2]" 1
1261 2 18 GLU H 2 22 THR H . . 5.500 5.484 5.160 5.598 0.098 19 0 "[ . 1 . 2]" 1
1262 2 18 GLU H 2 26 VAL MG2 . . 4.770 4.754 4.492 4.889 0.119 9 0 "[ . 1 . 2]" 1
1263 2 18 GLU H 2 29 LYS QD . . 5.500 5.215 4.794 5.392 . 0 0 "[ . 1 . 2]" 1
1264 2 18 GLU H 2 29 LYS HE3 . . 5.340 4.275 3.816 4.760 . 0 0 "[ . 1 . 2]" 1
1265 2 18 GLU H 2 56 LEU QD . . 4.080 3.046 2.698 3.416 . 0 0 "[ . 1 . 2]" 1
1266 2 18 GLU HA 2 18 GLU HG2 . . 3.700 2.519 2.445 3.095 . 0 0 "[ . 1 . 2]" 1
1267 2 18 GLU HA 2 18 GLU HG3 . . 4.240 3.179 3.086 3.762 . 0 0 "[ . 1 . 2]" 1
1268 2 18 GLU HA 2 19 PRO HD2 . . 3.300 2.483 2.375 2.528 . 0 0 "[ . 1 . 2]" 1
1269 2 18 GLU HA 2 19 PRO HD3 . . 3.550 2.318 2.271 2.381 . 0 0 "[ . 1 . 2]" 1
1270 2 18 GLU HA 2 19 PRO HG2 . . 4.790 4.604 4.533 4.647 . 0 0 "[ . 1 . 2]" 1
1271 2 18 GLU HA 2 19 PRO HG3 . . 4.540 4.561 4.538 4.609 0.069 16 0 "[ . 1 . 2]" 1
1272 2 18 GLU HA 2 20 SER H . . 4.750 3.791 3.683 3.838 . 0 0 "[ . 1 . 2]" 1
1273 2 18 GLU HA 2 21 ASP H . . 4.740 4.517 4.425 4.663 . 0 0 "[ . 1 . 2]" 1
1274 2 18 GLU HB2 2 19 PRO HD2 . . 4.700 3.518 3.457 3.565 . 0 0 "[ . 1 . 2]" 1
1275 2 18 GLU HB2 2 19 PRO HD3 . . 4.620 4.589 4.522 4.651 0.031 17 0 "[ . 1 . 2]" 1
1276 2 18 GLU HB2 2 20 SER H . . 3.880 2.562 2.431 2.619 . 0 0 "[ . 1 . 2]" 1
1277 2 18 GLU HB2 2 21 ASP H . . 4.140 2.742 2.580 2.849 . 0 0 "[ . 1 . 2]" 1
1278 2 18 GLU HB3 2 19 PRO HD2 . . 4.740 1.967 1.913 2.008 . 0 0 "[ . 1 . 2]" 1
1279 2 18 GLU HB3 2 19 PRO HD3 . . 4.690 3.390 3.321 3.462 . 0 0 "[ . 1 . 2]" 1
1280 2 18 GLU HB3 2 20 SER H . . 3.760 2.586 2.336 2.712 . 0 0 "[ . 1 . 2]" 1
1281 2 18 GLU HB3 2 21 ASP H . . 4.660 3.794 3.598 3.962 . 0 0 "[ . 1 . 2]" 1
1282 2 18 GLU HG2 2 20 SER H . . 5.070 4.911 4.702 5.002 . 0 0 "[ . 1 . 2]" 1
1283 2 18 GLU HG3 2 19 PRO HD3 . . 5.210 5.303 5.254 5.321 0.111 19 0 "[ . 1 . 2]" 1
1284 2 18 GLU HG3 2 20 SER H . . 4.870 4.837 4.512 4.893 0.023 20 0 "[ . 1 . 2]" 1
1285 2 18 GLU HG3 2 21 ASP H . . 4.860 4.917 4.875 4.973 0.113 13 0 "[ . 1 . 2]" 1
1286 2 19 PRO HA 2 21 ASP H . . 4.550 3.897 3.824 3.955 . 0 0 "[ . 1 . 2]" 1
1287 2 19 PRO HA 2 56 LEU H . . 4.790 3.156 2.835 3.452 . 0 0 "[ . 1 . 2]" 1
1288 2 19 PRO HA 2 56 LEU HB2 . . 4.030 2.267 2.079 2.430 . 0 0 "[ . 1 . 2]" 1
1289 2 19 PRO HA 2 56 LEU HB3 . . 4.600 3.875 3.664 4.091 . 0 0 "[ . 1 . 2]" 1
1290 2 19 PRO HA 2 56 LEU QD . . 3.900 3.551 3.197 3.745 . 0 0 "[ . 1 . 2]" 1
1291 2 19 PRO HA 2 56 LEU HG . . 5.120 4.095 3.389 4.460 . 0 0 "[ . 1 . 2]" 1
1292 2 19 PRO HA 2 57 SER H . . 4.170 2.373 2.201 2.548 . 0 0 "[ . 1 . 2]" 1
1293 2 19 PRO HB2 2 20 SER H . . 4.160 4.126 4.067 4.170 0.010 9 0 "[ . 1 . 2]" 1
1294 2 19 PRO HB2 2 20 SER HA . . 4.950 4.612 4.532 4.675 . 0 0 "[ . 1 . 2]" 1
1295 2 19 PRO HB2 2 21 ASP H . . 5.500 5.565 5.522 5.608 0.108 9 0 "[ . 1 . 2]" 1
1296 2 19 PRO HB2 2 57 SER HB2 . . 4.180 1.984 1.915 2.054 . 0 0 "[ . 1 . 2]" 1
1297 2 19 PRO HB2 2 57 SER HB3 . . 4.190 3.330 3.250 3.387 . 0 0 "[ . 1 . 2]" 1
1298 2 19 PRO HB2 2 58 ASP H . . 5.500 5.619 5.557 5.668 0.168 10 0 "[ . 1 . 2]" 1
1299 2 19 PRO HB3 2 20 SER H . . 4.630 4.580 4.561 4.591 . 0 0 "[ . 1 . 2]" 1
1300 2 19 PRO HB3 2 56 LEU QD . . 5.290 5.002 4.353 5.292 0.002 5 0 "[ . 1 . 2]" 1
1301 2 19 PRO HB3 2 57 SER H . . 4.970 3.471 3.218 3.658 . 0 0 "[ . 1 . 2]" 1
1302 2 19 PRO HB3 2 57 SER HA . . 4.840 3.629 3.419 3.841 . 0 0 "[ . 1 . 2]" 1
1303 2 19 PRO HB3 2 57 SER HB2 . . 3.450 2.289 2.229 2.385 . 0 0 "[ . 1 . 2]" 1
1304 2 19 PRO HB3 2 57 SER HB3 . . 3.960 4.026 3.981 4.064 0.104 10 0 "[ . 1 . 2]" 1
1305 2 19 PRO HD2 2 20 SER H . . 4.930 3.034 2.947 3.113 . 0 0 "[ . 1 . 2]" 1
1306 2 19 PRO HD2 2 21 ASP H . . 5.500 4.687 4.572 4.773 . 0 0 "[ . 1 . 2]" 1
1307 2 19 PRO HD3 2 20 SER H . . 4.350 4.022 3.980 4.061 . 0 0 "[ . 1 . 2]" 1
1308 2 19 PRO HG2 2 20 SER H . . 4.970 3.507 3.473 3.562 . 0 0 "[ . 1 . 2]" 1
1309 2 19 PRO HG2 2 57 SER HB2 . . 4.850 4.317 4.245 4.391 . 0 0 "[ . 1 . 2]" 1
1310 2 19 PRO HG3 2 20 SER H . . 4.720 4.753 4.724 4.792 0.072 16 0 "[ . 1 . 2]" 1
1311 2 20 SER H 2 20 SER HB2 . . 3.670 3.077 2.582 3.768 0.098 15 0 "[ . 1 . 2]" 1
1312 2 20 SER H 2 20 SER HB3 . . 3.790 3.522 3.079 3.817 0.027 9 0 "[ . 1 . 2]" 1
1313 2 20 SER H 2 21 ASP H . . 3.090 1.947 1.908 2.026 . 0 0 "[ . 1 . 2]" 1
1314 2 20 SER H 2 21 ASP HB2 . . 5.390 4.169 3.913 5.433 0.043 4 0 "[ . 1 . 2]" 1
1315 2 20 SER H 2 55 THR MG . . 5.500 4.587 4.210 4.843 . 0 0 "[ . 1 . 2]" 1
1316 2 20 SER HA 2 20 SER HB2 . . 2.970 2.820 2.491 3.039 0.069 17 0 "[ . 1 . 2]" 1
1317 2 20 SER HA 2 55 THR HB . . 3.830 3.557 3.445 3.812 . 0 0 "[ . 1 . 2]" 1
1318 2 20 SER HA 2 55 THR MG . . 3.600 2.616 2.268 2.937 . 0 0 "[ . 1 . 2]" 1
1319 2 20 SER HA 2 56 LEU H . . 5.110 5.184 5.145 5.242 0.132 15 0 "[ . 1 . 2]" 1
1320 2 20 SER HB2 2 21 ASP H . . 4.680 3.862 3.397 4.407 . 0 0 "[ . 1 . 2]" 1
1321 2 20 SER HB2 2 55 THR MG . . 5.110 4.881 4.186 5.162 0.052 11 0 "[ . 1 . 2]" 1
1322 2 20 SER HB3 2 55 THR MG . . 4.950 4.537 4.254 4.967 0.017 1 0 "[ . 1 . 2]" 1
1323 2 21 ASP H 2 21 ASP HB2 . . 3.520 2.442 2.275 3.550 0.030 4 0 "[ . 1 . 2]" 1
1324 2 21 ASP H 2 21 ASP HB3 . . 3.630 3.459 2.466 3.595 . 0 0 "[ . 1 . 2]" 1
1325 2 21 ASP H 2 22 THR H . . 4.120 4.313 4.085 4.397 0.277 20 0 "[ . 1 . 2]" 1
1326 2 21 ASP H 2 55 THR MG . . 5.320 4.078 3.522 4.365 . 0 0 "[ . 1 . 2]" 1
1327 2 21 ASP H 2 56 LEU HB2 . . 5.500 4.707 4.420 5.147 . 0 0 "[ . 1 . 2]" 1
1328 2 21 ASP H 2 56 LEU QD . . 4.100 3.679 3.117 4.150 0.050 4 0 "[ . 1 . 2]" 1
1329 2 21 ASP H 2 56 LEU HG . . 4.900 4.619 4.074 4.953 0.053 9 0 "[ . 1 . 2]" 1
1330 2 21 ASP HA 2 22 THR MG . . 3.830 3.297 3.012 3.680 . 0 0 "[ . 1 . 2]" 1
1331 2 21 ASP HA 2 25 ASN HB2 . . 4.110 3.617 3.487 3.835 . 0 0 "[ . 1 . 2]" 1
1332 2 21 ASP HA 2 25 ASN HD21 . . 3.690 3.089 2.600 3.582 . 0 0 "[ . 1 . 2]" 1
1333 2 21 ASP HA 2 25 ASN HD22 . . 4.230 3.861 3.160 4.283 0.053 17 0 "[ . 1 . 2]" 1
1334 2 21 ASP HA 2 55 THR MG . . 4.910 4.368 4.220 4.797 . 0 0 "[ . 1 . 2]" 1
1335 2 21 ASP HB2 2 22 THR H . . 4.520 3.067 1.798 3.458 . 0 0 "[ . 1 . 2]" 1
1336 2 21 ASP HB2 2 26 VAL MG2 . . 3.920 3.902 3.247 4.066 0.146 13 0 "[ . 1 . 2]" 1
1337 2 21 ASP HB2 2 56 LEU QD . . 3.930 2.849 2.232 4.302 0.372 4 0 "[ . 1 . 2]" 1
1338 2 21 ASP HB3 2 22 THR H . . 4.080 2.071 1.708 3.304 . 0 0 "[ . 1 . 2]" 1
1339 2 21 ASP HB3 2 25 ASN HB2 . . 4.120 2.564 2.148 4.204 0.084 4 0 "[ . 1 . 2]" 1
1340 2 21 ASP HB3 2 25 ASN HB3 . . 4.090 2.529 2.093 4.457 0.367 13 0 "[ . 1 . 2]" 1
1341 2 21 ASP HB3 2 25 ASN HD21 . . 4.840 2.702 2.261 4.546 . 0 0 "[ . 1 . 2]" 1
1342 2 21 ASP HB3 2 25 ASN HD22 . . 5.210 4.152 3.724 6.029 0.819 13 1 "[ . 1 + . 2]" 1
1343 2 21 ASP HB3 2 26 VAL MG2 . . 3.850 3.677 3.139 4.036 0.186 4 0 "[ . 1 . 2]" 1
1344 2 21 ASP HB3 2 56 LEU QD . . 4.460 3.615 3.035 3.985 . 0 0 "[ . 1 . 2]" 1
1345 2 22 THR H 2 22 THR MG . . 3.120 2.312 2.096 2.671 . 0 0 "[ . 1 . 2]" 1
1346 2 22 THR H 2 23 ILE H . . 5.130 4.438 4.292 4.511 . 0 0 "[ . 1 . 2]" 1
1347 2 22 THR H 2 25 ASN HB2 . . 4.240 1.944 1.762 2.559 . 0 0 "[ . 1 . 2]" 1
1348 2 22 THR H 2 25 ASN HB3 . . 4.480 3.043 2.496 3.468 . 0 0 "[ . 1 . 2]" 1
1349 2 22 THR H 2 25 ASN HD22 . . 5.500 4.625 3.888 5.210 . 0 0 "[ . 1 . 2]" 1
1350 2 22 THR H 2 55 THR MG . . 4.430 4.526 4.478 4.566 0.136 17 0 "[ . 1 . 2]" 1
1351 2 22 THR H 2 56 LEU QD . . 5.180 4.092 3.115 4.725 . 0 0 "[ . 1 . 2]" 1
1352 2 22 THR HA 2 23 ILE MD . . 4.540 3.864 3.675 4.155 . 0 0 "[ . 1 . 2]" 1
1353 2 22 THR HB 2 23 ILE H . . 4.110 3.782 3.639 3.939 . 0 0 "[ . 1 . 2]" 1
1354 2 22 THR HB 2 55 THR MG . . 5.000 3.191 2.902 3.772 . 0 0 "[ . 1 . 2]" 1
1355 2 22 THR MG 2 23 ILE H . . 3.620 3.557 3.350 3.664 0.044 15 0 "[ . 1 . 2]" 1
1356 2 22 THR MG 2 23 ILE HB . . 5.500 4.792 4.463 5.149 . 0 0 "[ . 1 . 2]" 1
1357 2 22 THR MG 2 24 GLU QB . . 4.740 2.380 1.995 3.679 . 0 0 "[ . 1 . 2]" 1
1358 2 22 THR MG 2 25 ASN H . . 5.100 1.902 1.749 2.094 . 0 0 "[ . 1 . 2]" 1
1359 2 22 THR MG 2 25 ASN HA . . 4.530 3.865 3.595 4.052 . 0 0 "[ . 1 . 2]" 1
1360 2 22 THR MG 2 25 ASN HB2 . . 4.680 2.485 2.221 2.756 . 0 0 "[ . 1 . 2]" 1
1361 2 22 THR MG 2 25 ASN HB3 . . 5.170 3.816 3.478 4.060 . 0 0 "[ . 1 . 2]" 1
1362 2 22 THR MG 2 25 ASN HD21 . . 5.160 4.069 3.428 4.704 . 0 0 "[ . 1 . 2]" 1
1363 2 22 THR MG 2 25 ASN HD22 . . 4.890 4.316 3.278 4.911 0.021 2 0 "[ . 1 . 2]" 1
1364 2 22 THR MG 2 26 VAL H . . 4.520 4.004 3.822 4.130 . 0 0 "[ . 1 . 2]" 1
1365 2 23 ILE H 2 23 ILE HB . . 3.910 2.526 2.425 2.593 . 0 0 "[ . 1 . 2]" 1
1366 2 23 ILE H 2 23 ILE MD . . 3.540 2.885 2.710 3.273 . 0 0 "[ . 1 . 2]" 1
1367 2 23 ILE H 2 23 ILE HG12 . . 4.160 2.051 1.873 2.213 . 0 0 "[ . 1 . 2]" 1
1368 2 23 ILE H 2 23 ILE HG13 . . 4.380 3.555 3.399 3.666 . 0 0 "[ . 1 . 2]" 1
1369 2 23 ILE H 2 23 ILE MG . . 3.660 3.725 3.711 3.742 0.082 4 0 "[ . 1 . 2]" 1
1370 2 23 ILE H 2 24 GLU H . . 5.500 2.712 2.557 2.838 . 0 0 "[ . 1 . 2]" 1
1371 2 23 ILE H 2 25 ASN H . . 5.420 4.190 4.063 4.283 . 0 0 "[ . 1 . 2]" 1
1372 2 23 ILE H 2 26 VAL H . . 5.500 4.844 4.709 5.052 . 0 0 "[ . 1 . 2]" 1
1373 2 23 ILE H 2 52 ASP HA . . 4.390 3.830 3.598 4.196 . 0 0 "[ . 1 . 2]" 1
1374 2 23 ILE H 2 54 ARG H . . 4.650 3.520 2.729 3.869 . 0 0 "[ . 1 . 2]" 1
1375 2 23 ILE H 2 55 THR MG . . 5.500 4.989 4.363 5.232 . 0 0 "[ . 1 . 2]" 1
1376 2 23 ILE H 2 56 LEU QD . . 5.230 4.438 3.978 5.229 . 0 0 "[ . 1 . 2]" 1
1377 2 23 ILE HA 2 23 ILE MD . . 3.090 2.093 1.945 2.178 . 0 0 "[ . 1 . 2]" 1
1378 2 23 ILE HA 2 23 ILE MG . . 3.430 2.335 2.260 2.415 . 0 0 "[ . 1 . 2]" 1
1379 2 23 ILE HA 2 25 ASN H . . 5.210 4.018 3.846 4.146 . 0 0 "[ . 1 . 2]" 1
1380 2 23 ILE HA 2 26 VAL H . . 3.870 3.125 2.966 3.311 . 0 0 "[ . 1 . 2]" 1
1381 2 23 ILE HA 2 26 VAL HB . . 3.580 2.710 2.394 3.170 . 0 0 "[ . 1 . 2]" 1
1382 2 23 ILE HA 2 26 VAL MG1 . . 4.510 4.083 3.832 4.486 . 0 0 "[ . 1 . 2]" 1
1383 2 23 ILE HA 2 26 VAL MG2 . . 3.700 2.623 2.228 2.863 . 0 0 "[ . 1 . 2]" 1
1384 2 23 ILE HA 2 27 LYS H . . 4.980 4.170 3.983 4.433 . 0 0 "[ . 1 . 2]" 1
1385 2 23 ILE HA 2 43 LEU QD . . 4.950 3.397 3.079 4.033 . 0 0 "[ . 1 . 2]" 1
1386 2 23 ILE HA 2 56 LEU QD . . 4.570 3.733 3.245 4.201 . 0 0 "[ . 1 . 2]" 1
1387 2 23 ILE HB 2 43 LEU QD . . 4.850 4.434 3.866 4.878 0.028 1 0 "[ . 1 . 2]" 1
1388 2 23 ILE HB 2 52 ASP HA . . 3.360 2.270 2.061 2.411 . 0 0 "[ . 1 . 2]" 1
1389 2 23 ILE HB 2 54 ARG H . . 4.760 4.270 3.140 4.639 . 0 0 "[ . 1 . 2]" 1
1390 2 23 ILE MD 2 23 ILE MG . . 3.520 2.051 1.971 2.130 . 0 0 "[ . 1 . 2]" 1
1391 2 23 ILE MD 2 26 VAL H . . 5.290 4.569 4.387 4.739 . 0 0 "[ . 1 . 2]" 1
1392 2 23 ILE MD 2 26 VAL HB . . 4.440 3.715 3.497 3.936 . 0 0 "[ . 1 . 2]" 1
1393 2 23 ILE MD 2 27 LYS H . . 5.500 5.440 5.306 5.576 0.076 1 0 "[ . 1 . 2]" 1
1394 2 23 ILE MD 2 50 LEU HA . . 5.080 4.433 4.211 5.098 0.018 15 0 "[ . 1 . 2]" 1
1395 2 23 ILE MD 2 50 LEU HB2 . . 4.540 3.077 2.524 4.082 . 0 0 "[ . 1 . 2]" 1
1396 2 23 ILE MD 2 50 LEU HB3 . . 5.120 2.427 2.128 3.218 . 0 0 "[ . 1 . 2]" 1
1397 2 23 ILE MD 2 50 LEU QD . . 4.300 2.428 1.891 3.006 . 0 0 "[ . 1 . 2]" 1
1398 2 23 ILE MD 2 52 ASP HA . . 5.010 4.961 4.808 5.104 0.094 15 0 "[ . 1 . 2]" 1
1399 2 23 ILE MD 2 54 ARG H . . 4.930 4.835 4.369 4.965 0.035 2 0 "[ . 1 . 2]" 1
1400 2 23 ILE MD 2 55 THR MG . . 5.500 5.441 4.719 5.549 0.049 6 0 "[ . 1 . 2]" 1
1401 2 23 ILE MD 2 56 LEU HA . . 3.880 3.772 2.861 3.956 0.076 18 0 "[ . 1 . 2]" 1
1402 2 23 ILE MD 2 59 TYR QD . . 4.990 3.484 2.257 4.002 . 0 0 "[ . 1 . 2]" 1
1403 2 23 ILE MD 2 59 TYR QE . . 4.000 2.264 1.981 2.911 . 0 0 "[ . 1 . 2]" 1
1404 2 23 ILE HG12 2 51 GLU H . . 5.090 4.014 3.556 4.862 . 0 0 "[ . 1 . 2]" 1
1405 2 23 ILE HG12 2 52 ASP HA . . 4.720 3.917 3.625 4.725 0.005 1 0 "[ . 1 . 2]" 1
1406 2 23 ILE HG12 2 54 ARG HG3 . . 5.000 4.894 3.897 5.171 0.171 5 0 "[ . 1 . 2]" 1
1407 2 23 ILE HG12 2 59 TYR QE . . 4.800 3.609 3.078 3.848 . 0 0 "[ . 1 . 2]" 1
1408 2 23 ILE HG13 2 50 LEU HB3 . . 4.780 2.260 2.042 2.891 . 0 0 "[ . 1 . 2]" 1
1409 2 23 ILE HG13 2 59 TYR QE . . 4.860 3.640 2.002 4.206 . 0 0 "[ . 1 . 2]" 1
1410 2 23 ILE MG 2 24 GLU HA . . 4.790 3.719 3.410 4.037 . 0 0 "[ . 1 . 2]" 1
1411 2 23 ILE MG 2 25 ASN H . . 4.910 4.930 4.801 4.974 0.064 13 0 "[ . 1 . 2]" 1
1412 2 23 ILE MG 2 26 VAL HB . . 4.320 3.234 2.935 3.606 . 0 0 "[ . 1 . 2]" 1
1413 2 23 ILE MG 2 27 LYS H . . 4.720 3.881 3.656 4.331 . 0 0 "[ . 1 . 2]" 1
1414 2 23 ILE MG 2 43 LEU HB2 . . 4.370 3.227 2.343 4.979 0.609 16 3 "[ .* 1 .+- 2]" 1
1415 2 23 ILE MG 2 50 LEU HB2 . . 3.980 2.706 2.229 3.146 . 0 0 "[ . 1 . 2]" 1
1416 2 23 ILE MG 2 50 LEU QD . . 5.250 3.298 2.410 3.833 . 0 0 "[ . 1 . 2]" 1
1417 2 23 ILE MG 2 50 LEU HG . . 5.250 4.276 3.147 5.349 0.099 17 0 "[ . 1 . 2]" 1
1418 2 23 ILE MG 2 51 GLU H . . 5.500 4.106 2.883 4.722 . 0 0 "[ . 1 . 2]" 1
1419 2 23 ILE MG 2 52 ASP H . . 5.500 5.033 4.461 5.368 . 0 0 "[ . 1 . 2]" 1
1420 2 23 ILE MG 2 52 ASP HA . . 3.610 3.491 2.923 3.646 0.036 12 0 "[ . 1 . 2]" 1
1421 2 24 GLU H 2 25 ASN H . . 4.980 2.636 2.442 2.715 . 0 0 "[ . 1 . 2]" 1
1422 2 24 GLU HA 2 24 GLU HG2 . . 3.910 3.447 3.341 3.785 . 0 0 "[ . 1 . 2]" 1
1423 2 24 GLU HA 2 24 GLU HG3 . . 4.030 2.751 2.482 3.705 . 0 0 "[ . 1 . 2]" 1
1424 2 24 GLU HA 2 26 VAL H . . 4.750 4.334 4.132 4.564 . 0 0 "[ . 1 . 2]" 1
1425 2 24 GLU HA 2 27 LYS H . . 4.060 3.402 3.003 3.685 . 0 0 "[ . 1 . 2]" 1
1426 2 24 GLU HA 2 27 LYS HB3 . . 4.830 4.400 4.045 4.797 . 0 0 "[ . 1 . 2]" 1
1427 2 24 GLU HA 2 27 LYS QG . . 4.380 3.290 2.110 3.867 . 0 0 "[ . 1 . 2]" 1
1428 2 24 GLU HA 2 28 ALA H . . 4.780 4.340 3.867 4.680 . 0 0 "[ . 1 . 2]" 1
1429 2 24 GLU QB 2 25 ASN H . . 4.080 3.051 2.805 3.811 . 0 0 "[ . 1 . 2]" 1
1430 2 24 GLU QB 2 52 ASP HA . . 4.930 3.730 2.936 4.229 . 0 0 "[ . 1 . 2]" 1
1431 2 24 GLU QB 2 52 ASP HB3 . . 4.650 4.436 3.054 4.735 0.085 6 0 "[ . 1 . 2]" 1
1432 2 24 GLU HG2 2 25 ASN H . . 4.220 3.559 2.886 3.790 . 0 0 "[ . 1 . 2]" 1
1433 2 24 GLU HG2 2 28 ALA MB . . 5.500 4.248 3.734 5.555 0.055 16 0 "[ . 1 . 2]" 1
1434 2 24 GLU HG3 2 25 ASN H . . 4.430 4.251 3.049 4.559 0.129 15 0 "[ . 1 . 2]" 1
1435 2 24 GLU HG3 2 25 ASN HA . . 4.710 4.494 3.504 4.742 0.032 14 0 "[ . 1 . 2]" 1
1436 2 24 GLU HG3 2 28 ALA MB . . 5.290 4.205 3.954 4.481 . 0 0 "[ . 1 . 2]" 1
1437 2 25 ASN H 2 25 ASN HB2 . . 3.120 2.138 2.063 2.326 . 0 0 "[ . 1 . 2]" 1
1438 2 25 ASN H 2 25 ASN HB3 . . 3.640 3.226 2.897 3.419 . 0 0 "[ . 1 . 2]" 1
1439 2 25 ASN H 2 26 VAL H . . 3.700 2.452 2.380 2.529 . 0 0 "[ . 1 . 2]" 1
1440 2 25 ASN H 2 26 VAL HB . . 4.730 4.700 4.617 4.775 0.045 2 0 "[ . 1 . 2]" 1
1441 2 25 ASN H 2 26 VAL MG2 . . 4.790 3.778 3.647 3.935 . 0 0 "[ . 1 . 2]" 1
1442 2 25 ASN H 2 27 LYS H . . 4.390 4.000 3.850 4.181 . 0 0 "[ . 1 . 2]" 1
1443 2 25 ASN H 2 28 ALA MB . . 5.500 4.612 4.478 4.814 . 0 0 "[ . 1 . 2]" 1
1444 2 25 ASN HA 2 25 ASN HD22 . . 4.300 4.355 4.306 4.426 0.126 13 0 "[ . 1 . 2]" 1
1445 2 25 ASN HA 2 26 VAL MG2 . . 4.910 4.932 4.873 4.995 0.085 17 0 "[ . 1 . 2]" 1
1446 2 25 ASN HA 2 28 ALA H . . 3.740 3.169 3.052 3.345 . 0 0 "[ . 1 . 2]" 1
1447 2 25 ASN HA 2 28 ALA MB . . 3.170 2.357 2.232 2.561 . 0 0 "[ . 1 . 2]" 1
1448 2 25 ASN HB2 2 26 VAL H . . 3.580 3.129 2.766 3.648 0.068 15 0 "[ . 1 . 2]" 1
1449 2 25 ASN HB2 2 26 VAL MG2 . . 4.670 3.750 3.358 4.334 . 0 0 "[ . 1 . 2]" 1
1450 2 25 ASN HB2 2 28 ALA MB . . 5.160 4.820 4.658 4.872 . 0 0 "[ . 1 . 2]" 1
1451 2 25 ASN HB3 2 26 VAL H . . 3.640 3.133 2.609 3.445 . 0 0 "[ . 1 . 2]" 1
1452 2 25 ASN HB3 2 26 VAL MG2 . . 4.850 3.524 3.105 3.839 . 0 0 "[ . 1 . 2]" 1
1453 2 25 ASN HB3 2 28 ALA MB . . 4.770 4.337 3.933 4.702 . 0 0 "[ . 1 . 2]" 1
1454 2 25 ASN HB3 2 29 LYS HE3 . . 4.040 2.627 2.439 2.918 . 0 0 "[ . 1 . 2]" 1
1455 2 25 ASN HD21 2 28 ALA MB . . 5.470 5.368 5.188 5.586 0.116 6 0 "[ . 1 . 2]" 1
1456 2 25 ASN HD22 2 28 ALA MB . . 5.370 5.305 5.066 5.456 0.086 8 0 "[ . 1 . 2]" 1
1457 2 25 ASN HD22 2 29 LYS HE2 . . 5.020 3.942 2.951 4.871 . 0 0 "[ . 1 . 2]" 1
1458 2 25 ASN HD22 2 29 LYS HE3 . . 5.220 4.461 3.442 5.265 0.045 1 0 "[ . 1 . 2]" 1
1459 2 26 VAL H 2 26 VAL HB . . 3.380 2.513 2.448 2.583 . 0 0 "[ . 1 . 2]" 1
1460 2 26 VAL H 2 26 VAL MG1 . . 3.740 3.754 3.736 3.767 0.027 18 0 "[ . 1 . 2]" 1
1461 2 26 VAL H 2 26 VAL MG2 . . 2.970 2.053 1.907 2.156 . 0 0 "[ . 1 . 2]" 1
1462 2 26 VAL H 2 27 LYS H . . 3.460 2.635 2.557 2.762 . 0 0 "[ . 1 . 2]" 1
1463 2 26 VAL H 2 28 ALA MB . . 4.930 4.672 4.595 4.801 . 0 0 "[ . 1 . 2]" 1
1464 2 26 VAL H 2 30 ILE MD . . 5.500 5.529 5.500 5.539 0.039 14 0 "[ . 1 . 2]" 1
1465 2 26 VAL HA 2 26 VAL MG1 . . 3.240 2.346 2.283 2.414 . 0 0 "[ . 1 . 2]" 1
1466 2 26 VAL HA 2 26 VAL MG2 . . 3.170 2.374 2.335 2.424 . 0 0 "[ . 1 . 2]" 1
1467 2 26 VAL HA 2 28 ALA H . . 4.960 4.171 4.027 4.284 . 0 0 "[ . 1 . 2]" 1
1468 2 26 VAL HA 2 29 LYS H . . 3.710 3.259 3.115 3.323 . 0 0 "[ . 1 . 2]" 1
1469 2 26 VAL HA 2 29 LYS HA . . 5.470 5.414 5.240 5.496 0.026 6 0 "[ . 1 . 2]" 1
1470 2 26 VAL HA 2 29 LYS HB2 . . 4.570 2.716 2.516 3.082 . 0 0 "[ . 1 . 2]" 1
1471 2 26 VAL HA 2 29 LYS HB3 . . 4.520 4.360 4.180 4.551 0.031 17 0 "[ . 1 . 2]" 1
1472 2 26 VAL HA 2 29 LYS QD . . 4.060 2.081 1.941 3.262 . 0 0 "[ . 1 . 2]" 1
1473 2 26 VAL HA 2 29 LYS HG2 . . 4.940 4.796 4.034 4.936 . 0 0 "[ . 1 . 2]" 1
1474 2 26 VAL HA 2 29 LYS HG3 . . 4.290 3.928 2.236 4.156 . 0 0 "[ . 1 . 2]" 1
1475 2 26 VAL HA 2 30 ILE H . . 4.580 4.118 4.015 4.276 . 0 0 "[ . 1 . 2]" 1
1476 2 26 VAL HA 2 30 ILE MD . . 4.940 4.284 4.220 4.410 . 0 0 "[ . 1 . 2]" 1
1477 2 26 VAL HB 2 27 LYS H . . 3.830 2.728 2.645 2.836 . 0 0 "[ . 1 . 2]" 1
1478 2 26 VAL HB 2 28 ALA H . . 5.180 4.989 4.834 5.080 . 0 0 "[ . 1 . 2]" 1
1479 2 26 VAL HB 2 43 LEU QD . . 4.160 2.488 2.187 3.042 . 0 0 "[ . 1 . 2]" 1
1480 2 26 VAL HB 2 56 LEU QD . . 4.830 4.110 3.938 4.327 . 0 0 "[ . 1 . 2]" 1
1481 2 26 VAL MG1 2 27 LYS H . . 4.060 3.624 3.487 3.766 . 0 0 "[ . 1 . 2]" 1
1482 2 26 VAL MG1 2 27 LYS HA . . 4.130 3.731 3.561 3.905 . 0 0 "[ . 1 . 2]" 1
1483 2 26 VAL MG1 2 28 ALA H . . 5.500 5.025 4.861 5.096 . 0 0 "[ . 1 . 2]" 1
1484 2 26 VAL MG1 2 29 LYS H . . 4.720 4.544 4.440 4.626 . 0 0 "[ . 1 . 2]" 1
1485 2 26 VAL MG1 2 30 ILE H . . 4.880 4.112 3.991 4.212 . 0 0 "[ . 1 . 2]" 1
1486 2 26 VAL MG1 2 30 ILE HA . . 5.330 5.382 5.246 5.483 0.153 13 0 "[ . 1 . 2]" 1
1487 2 26 VAL MG1 2 30 ILE MD . . 2.600 2.182 2.070 2.332 . 0 0 "[ . 1 . 2]" 1
1488 2 26 VAL MG1 2 30 ILE QG . . 5.050 2.977 2.817 3.080 . 0 0 "[ . 1 . 2]" 1
1489 2 26 VAL MG2 2 27 LYS H . . 4.210 3.879 3.757 3.967 . 0 0 "[ . 1 . 2]" 1
1490 2 26 VAL MG2 2 27 LYS HA . . 5.400 5.519 5.474 5.574 0.174 19 0 "[ . 1 . 2]" 1
1491 2 26 VAL MG2 2 29 LYS QD . . 5.150 3.213 3.002 3.759 . 0 0 "[ . 1 . 2]" 1
1492 2 26 VAL MG2 2 29 LYS HE2 . . 5.390 4.805 4.552 5.038 . 0 0 "[ . 1 . 2]" 1
1493 2 26 VAL MG2 2 29 LYS HE3 . . 5.500 3.821 3.475 4.036 . 0 0 "[ . 1 . 2]" 1
1494 2 26 VAL MG2 2 56 LEU H . . 5.500 4.990 4.673 5.221 . 0 0 "[ . 1 . 2]" 1
1495 2 26 VAL MG2 2 56 LEU QD . . 3.320 2.050 1.938 2.249 . 0 0 "[ . 1 . 2]" 1
1496 2 26 VAL MG2 2 56 LEU HG . . 4.950 3.656 3.324 4.078 . 0 0 "[ . 1 . 2]" 1
1497 2 27 LYS H 2 27 LYS HB2 . . 4.020 2.555 2.390 3.634 . 0 0 "[ . 1 . 2]" 1
1498 2 27 LYS H 2 27 LYS QG . . 4.280 2.259 2.012 2.373 . 0 0 "[ . 1 . 2]" 1
1499 2 27 LYS H 2 28 ALA H . . 3.580 2.616 2.570 2.696 . 0 0 "[ . 1 . 2]" 1
1500 2 27 LYS H 2 28 ALA HA . . 5.500 5.259 5.214 5.319 . 0 0 "[ . 1 . 2]" 1
1501 2 27 LYS H 2 43 LEU QD . . 4.260 3.490 2.784 4.285 0.025 17 0 "[ . 1 . 2]" 1
1502 2 27 LYS HA 2 30 ILE H . . 4.460 3.302 3.116 3.406 . 0 0 "[ . 1 . 2]" 1
1503 2 27 LYS HA 2 30 ILE HB . . 3.880 2.452 2.280 2.587 . 0 0 "[ . 1 . 2]" 1
1504 2 27 LYS HA 2 30 ILE MD . . 3.620 2.390 2.062 2.597 . 0 0 "[ . 1 . 2]" 1
1505 2 27 LYS HA 2 30 ILE MG . . 4.500 3.821 3.699 3.930 . 0 0 "[ . 1 . 2]" 1
1506 2 27 LYS HA 2 31 GLN H . . 5.420 4.037 3.947 4.087 . 0 0 "[ . 1 . 2]" 1
1507 2 27 LYS HA 2 43 LEU QD . . 4.560 3.364 2.480 4.524 . 0 0 "[ . 1 . 2]" 1
1508 2 27 LYS HB2 2 28 ALA H . . 4.340 2.967 2.745 4.154 . 0 0 "[ . 1 . 2]" 1
1509 2 27 LYS HB2 2 38 PRO HA . . 3.940 3.851 2.912 3.995 0.055 1 0 "[ . 1 . 2]" 1
1510 2 27 LYS HB2 2 38 PRO HB3 . . 4.740 2.800 2.632 2.986 . 0 0 "[ . 1 . 2]" 1
1511 2 27 LYS HB3 2 28 ALA H . . 4.230 3.840 3.716 4.231 0.001 20 0 "[ . 1 . 2]" 1
1512 2 27 LYS QG 2 43 LEU QD . . 3.480 2.506 1.948 3.520 0.040 11 0 "[ . 1 . 2]" 1
1513 2 28 ALA H 2 28 ALA MB . . 2.770 2.197 2.172 2.226 . 0 0 "[ . 1 . 2]" 1
1514 2 28 ALA HA 2 31 GLN H . . 3.730 3.152 3.021 3.528 . 0 0 "[ . 1 . 2]" 1
1515 2 28 ALA HA 2 31 GLN HB2 . . 4.010 3.077 2.990 3.693 . 0 0 "[ . 1 . 2]" 1
1516 2 28 ALA HA 2 31 GLN HB3 . . 3.870 2.379 2.287 2.765 . 0 0 "[ . 1 . 2]" 1
1517 2 28 ALA HA 2 31 GLN HG3 . . 5.010 5.143 5.035 5.175 0.165 6 0 "[ . 1 . 2]" 1
1518 2 28 ALA HA 2 32 ASP H . . 4.840 4.614 4.447 4.778 . 0 0 "[ . 1 . 2]" 1
1519 2 28 ALA MB 2 29 LYS H . . 3.940 2.735 2.665 2.851 . 0 0 "[ . 1 . 2]" 1
1520 2 28 ALA MB 2 30 ILE H . . 4.760 4.541 4.464 4.612 . 0 0 "[ . 1 . 2]" 1
1521 2 28 ALA MB 2 31 GLN H . . 4.890 4.409 4.319 4.742 . 0 0 "[ . 1 . 2]" 1
1522 2 29 LYS H 2 29 LYS HB2 . . 4.050 2.358 2.271 2.769 . 0 0 "[ . 1 . 2]" 1
1523 2 29 LYS H 2 29 LYS HB3 . . 3.990 3.578 3.552 3.620 . 0 0 "[ . 1 . 2]" 1
1524 2 29 LYS H 2 29 LYS QD . . 4.400 3.140 2.978 3.968 . 0 0 "[ . 1 . 2]" 1
1525 2 29 LYS H 2 29 LYS HE2 . . 4.260 4.216 4.099 4.338 0.078 17 0 "[ . 1 . 2]" 1
1526 2 29 LYS H 2 29 LYS HE3 . . 5.110 5.067 4.371 5.147 0.037 19 0 "[ . 1 . 2]" 1
1527 2 29 LYS H 2 29 LYS HG2 . . 4.220 3.830 2.564 3.967 . 0 0 "[ . 1 . 2]" 1
1528 2 29 LYS H 2 29 LYS HG3 . . 4.040 2.476 2.027 2.584 . 0 0 "[ . 1 . 2]" 1
1529 2 29 LYS H 2 30 ILE H . . 3.550 2.484 2.369 2.550 . 0 0 "[ . 1 . 2]" 1
1530 2 29 LYS H 2 30 ILE MD . . 5.050 4.865 4.758 4.948 . 0 0 "[ . 1 . 2]" 1
1531 2 29 LYS H 2 31 GLN H . . 5.110 3.777 3.692 3.914 . 0 0 "[ . 1 . 2]" 1
1532 2 29 LYS HA 2 29 LYS QD . . 4.680 4.035 3.846 4.085 . 0 0 "[ . 1 . 2]" 1
1533 2 29 LYS HA 2 29 LYS HE2 . . 4.930 4.917 4.861 4.946 0.016 14 0 "[ . 1 . 2]" 1
1534 2 29 LYS HA 2 29 LYS HG2 . . 3.460 2.808 2.625 2.900 . 0 0 "[ . 1 . 2]" 1
1535 2 29 LYS HA 2 29 LYS HG3 . . 3.580 2.651 2.530 3.537 . 0 0 "[ . 1 . 2]" 1
1536 2 29 LYS HA 2 30 ILE QG . . 5.240 5.072 4.953 5.163 . 0 0 "[ . 1 . 2]" 1
1537 2 29 LYS HA 2 32 ASP H . . 3.660 3.347 3.163 3.488 . 0 0 "[ . 1 . 2]" 1
1538 2 29 LYS HA 2 32 ASP HB2 . . 3.490 2.572 2.366 2.694 . 0 0 "[ . 1 . 2]" 1
1539 2 29 LYS HA 2 32 ASP HB3 . . 3.590 3.299 3.131 3.406 . 0 0 "[ . 1 . 2]" 1
1540 2 29 LYS HA 2 33 LYS H . . 4.610 4.416 4.261 4.568 . 0 0 "[ . 1 . 2]" 1
1541 2 29 LYS HA 2 33 LYS HG2 . . 4.840 4.536 4.417 4.647 . 0 0 "[ . 1 . 2]" 1
1542 2 29 LYS HB3 2 30 ILE H . . 4.810 3.771 3.652 4.078 . 0 0 "[ . 1 . 2]" 1
1543 2 29 LYS HE2 2 29 LYS HG2 . . 3.830 2.977 2.343 3.070 . 0 0 "[ . 1 . 2]" 1
1544 2 29 LYS HE2 2 29 LYS HG3 . . 3.300 2.357 2.221 2.807 . 0 0 "[ . 1 . 2]" 1
1545 2 29 LYS HG2 2 30 ILE H . . 5.500 5.227 4.579 5.317 . 0 0 "[ . 1 . 2]" 1
1546 2 29 LYS HG3 2 30 ILE H . . 4.970 4.463 3.850 4.550 . 0 0 "[ . 1 . 2]" 1
1547 2 30 ILE H 2 30 ILE HB . . 3.530 2.310 2.285 2.333 . 0 0 "[ . 1 . 2]" 1
1548 2 30 ILE H 2 30 ILE MD . . 3.670 3.361 3.329 3.405 . 0 0 "[ . 1 . 2]" 1
1549 2 30 ILE H 2 30 ILE QG . . 4.210 2.335 2.306 2.396 . 0 0 "[ . 1 . 2]" 1
1550 2 30 ILE H 2 30 ILE MG . . 3.860 3.725 3.714 3.738 . 0 0 "[ . 1 . 2]" 1
1551 2 30 ILE H 2 31 GLN H . . 4.000 2.493 2.441 2.561 . 0 0 "[ . 1 . 2]" 1
1552 2 30 ILE HA 2 30 ILE MD . . 3.870 3.825 3.807 3.842 . 0 0 "[ . 1 . 2]" 1
1553 2 30 ILE HA 2 30 ILE QG . . 3.660 2.341 2.314 2.363 . 0 0 "[ . 1 . 2]" 1
1554 2 30 ILE HA 2 30 ILE MG . . 3.120 2.488 2.470 2.509 . 0 0 "[ . 1 . 2]" 1
1555 2 30 ILE HA 2 33 LYS H . . 3.940 2.944 2.911 3.021 . 0 0 "[ . 1 . 2]" 1
1556 2 30 ILE HA 2 33 LYS HB2 . . 4.060 2.234 2.111 2.333 . 0 0 "[ . 1 . 2]" 1
1557 2 30 ILE HA 2 33 LYS HB3 . . 4.150 3.898 3.753 3.998 . 0 0 "[ . 1 . 2]" 1
1558 2 30 ILE HA 2 33 LYS HG2 . . 4.360 3.623 3.533 3.761 . 0 0 "[ . 1 . 2]" 1
1559 2 30 ILE HA 2 34 GLU H . . 4.460 3.804 3.636 3.988 . 0 0 "[ . 1 . 2]" 1
1560 2 30 ILE HB 2 30 ILE MD . . 3.520 2.283 2.265 2.307 . 0 0 "[ . 1 . 2]" 1
1561 2 30 ILE HB 2 31 GLN H . . 4.250 2.879 2.837 2.923 . 0 0 "[ . 1 . 2]" 1
1562 2 30 ILE HB 2 41 GLN HE21 . . 4.520 4.016 3.940 4.201 . 0 0 "[ . 1 . 2]" 1
1563 2 30 ILE HB 2 41 GLN HE22 . . 4.420 2.432 2.361 2.529 . 0 0 "[ . 1 . 2]" 1
1564 2 30 ILE MD 2 30 ILE MG . . 3.340 2.033 2.016 2.064 . 0 0 "[ . 1 . 2]" 1
1565 2 30 ILE MD 2 31 GLN H . . 4.660 4.656 4.618 4.684 0.024 7 0 "[ . 1 . 2]" 1
1566 2 30 ILE MD 2 41 GLN HE21 . . 4.850 4.936 4.853 4.961 0.111 10 0 "[ . 1 . 2]" 1
1567 2 30 ILE MD 2 41 GLN HE22 . . 4.930 3.872 3.740 3.924 . 0 0 "[ . 1 . 2]" 1
1568 2 30 ILE QG 2 33 LYS H . . 4.810 4.868 4.829 4.906 0.096 20 0 "[ . 1 . 2]" 1
1569 2 30 ILE MG 2 31 GLN H . . 3.890 3.530 3.439 3.581 . 0 0 "[ . 1 . 2]" 1
1570 2 30 ILE MG 2 31 GLN HA . . 4.770 3.528 3.461 3.599 . 0 0 "[ . 1 . 2]" 1
1571 2 30 ILE MG 2 32 ASP H . . 5.500 4.548 4.456 4.718 . 0 0 "[ . 1 . 2]" 1
1572 2 30 ILE MG 2 33 LYS H . . 4.910 4.325 4.251 4.423 . 0 0 "[ . 1 . 2]" 1
1573 2 30 ILE MG 2 34 GLU H . . 4.610 3.707 3.599 3.904 . 0 0 "[ . 1 . 2]" 1
1574 2 30 ILE MG 2 34 GLU HB2 . . 4.420 2.858 2.629 3.109 . 0 0 "[ . 1 . 2]" 1
1575 2 30 ILE MG 2 34 GLU HB3 . . 4.610 4.179 3.920 4.436 . 0 0 "[ . 1 . 2]" 1
1576 2 30 ILE MG 2 34 GLU HG3 . . 4.960 3.453 3.188 3.660 . 0 0 "[ . 1 . 2]" 1
1577 2 30 ILE MG 2 35 GLY H . . 5.500 4.438 4.279 4.689 . 0 0 "[ . 1 . 2]" 1
1578 2 30 ILE MG 2 36 ILE H . . 4.490 3.516 3.355 3.791 . 0 0 "[ . 1 . 2]" 1
1579 2 30 ILE MG 2 36 ILE HB . . 3.740 2.437 2.312 2.623 . 0 0 "[ . 1 . 2]" 1
1580 2 30 ILE MG 2 36 ILE MD . . 2.660 2.333 2.231 2.663 0.003 18 0 "[ . 1 . 2]" 1
1581 2 30 ILE MG 2 36 ILE MG . . 4.050 3.322 3.127 3.433 . 0 0 "[ . 1 . 2]" 1
1582 2 30 ILE MG 2 41 GLN HE21 . . 4.410 3.548 3.326 4.035 . 0 0 "[ . 1 . 2]" 1
1583 2 30 ILE MG 2 41 GLN HE22 . . 4.230 2.848 2.704 3.008 . 0 0 "[ . 1 . 2]" 1
1584 2 31 GLN H 2 31 GLN HB2 . . 3.890 2.574 2.523 2.628 . 0 0 "[ . 1 . 2]" 1
1585 2 31 GLN H 2 31 GLN HB3 . . 3.960 2.490 2.243 2.538 . 0 0 "[ . 1 . 2]" 1
1586 2 31 GLN H 2 31 GLN HG2 . . 4.420 4.431 4.404 4.449 0.029 2 0 "[ . 1 . 2]" 1
1587 2 31 GLN H 2 31 GLN HG3 . . 4.310 4.303 4.271 4.330 0.020 20 0 "[ . 1 . 2]" 1
1588 2 31 GLN H 2 32 ASP H . . 3.520 2.512 2.495 2.539 . 0 0 "[ . 1 . 2]" 1
1589 2 31 GLN H 2 32 ASP HA . . 5.140 5.176 5.165 5.186 0.046 16 0 "[ . 1 . 2]" 1
1590 2 31 GLN H 2 32 ASP HB2 . . 5.490 4.329 4.281 4.385 . 0 0 "[ . 1 . 2]" 1
1591 2 31 GLN H 2 32 ASP HB3 . . 5.200 5.158 5.133 5.205 0.005 18 0 "[ . 1 . 2]" 1
1592 2 31 GLN H 2 33 LYS H . . 5.440 4.092 4.059 4.122 . 0 0 "[ . 1 . 2]" 1
1593 2 31 GLN H 2 36 ILE H . . 5.130 4.865 4.530 4.943 . 0 0 "[ . 1 . 2]" 1
1594 2 31 GLN H 2 41 GLN HE21 . . 4.600 4.209 4.078 4.464 . 0 0 "[ . 1 . 2]" 1
1595 2 31 GLN H 2 41 GLN HE22 . . 4.610 2.801 2.649 2.994 . 0 0 "[ . 1 . 2]" 1
1596 2 31 GLN HA 2 31 GLN HG2 . . 4.010 3.244 3.155 3.914 . 0 0 "[ . 1 . 2]" 1
1597 2 31 GLN HA 2 31 GLN HG3 . . 4.020 2.226 2.122 3.192 . 0 0 "[ . 1 . 2]" 1
1598 2 31 GLN HA 2 34 GLU H . . 5.150 3.569 3.531 3.601 . 0 0 "[ . 1 . 2]" 1
1599 2 31 GLN HA 2 35 GLY H . . 3.430 2.754 2.678 2.880 . 0 0 "[ . 1 . 2]" 1
1600 2 31 GLN HA 2 36 ILE H . . 3.460 2.295 1.783 2.382 . 0 0 "[ . 1 . 2]" 1
1601 2 31 GLN HA 2 36 ILE HB . . 4.240 3.394 3.117 3.520 . 0 0 "[ . 1 . 2]" 1
1602 2 31 GLN HA 2 36 ILE MD . . 5.130 4.623 4.449 4.738 . 0 0 "[ . 1 . 2]" 1
1603 2 31 GLN HB2 2 32 ASP H . . 4.530 4.210 4.118 4.257 . 0 0 "[ . 1 . 2]" 1
1604 2 31 GLN HB2 2 38 PRO HD2 . . 4.020 3.860 3.630 3.958 . 0 0 "[ . 1 . 2]" 1
1605 2 31 GLN HB2 2 41 GLN HE21 . . 5.070 3.109 2.962 3.316 . 0 0 "[ . 1 . 2]" 1
1606 2 31 GLN HB3 2 31 GLN HE22 . . 5.500 5.016 4.991 5.193 . 0 0 "[ . 1 . 2]" 1
1607 2 31 GLN HB3 2 32 ASP H . . 4.090 3.266 2.867 3.399 . 0 0 "[ . 1 . 2]" 1
1608 2 31 GLN HE21 2 35 GLY HA2 . . 5.320 3.842 3.728 5.440 0.120 18 0 "[ . 1 . 2]" 1
1609 2 31 GLN HE21 2 37 PRO HA . . 4.280 2.872 2.722 2.964 . 0 0 "[ . 1 . 2]" 1
1610 2 31 GLN HE21 2 37 PRO HB2 . . 5.060 5.302 4.988 5.498 0.438 20 0 "[ . 1 . 2]" 1
1611 2 31 GLN HE21 2 37 PRO HB3 . . 4.280 4.057 3.835 4.293 0.013 20 0 "[ . 1 . 2]" 1
1612 2 31 GLN HE21 2 38 PRO HD2 . . 4.570 3.480 2.448 3.720 . 0 0 "[ . 1 . 2]" 1
1613 2 31 GLN HE22 2 37 PRO HA . . 4.410 2.577 2.224 2.757 . 0 0 "[ . 1 . 2]" 1
1614 2 31 GLN HE22 2 37 PRO HB3 . . 4.920 3.661 2.937 4.043 . 0 0 "[ . 1 . 2]" 1
1615 2 31 GLN HE22 2 38 PRO HD2 . . 4.720 2.508 2.402 3.064 . 0 0 "[ . 1 . 2]" 1
1616 2 31 GLN HG2 2 32 ASP H . . 5.010 4.334 4.171 4.651 . 0 0 "[ . 1 . 2]" 1
1617 2 31 GLN HG2 2 32 ASP HA . . 5.010 4.195 3.976 5.062 0.052 18 0 "[ . 1 . 2]" 1
1618 2 31 GLN HG2 2 35 GLY H . . 5.500 4.640 4.537 5.771 0.271 18 0 "[ . 1 . 2]" 1
1619 2 31 GLN HG2 2 35 GLY HA2 . . 5.160 3.387 3.176 4.974 . 0 0 "[ . 1 . 2]" 1
1620 2 31 GLN HG2 2 36 ILE H . . 4.880 4.961 4.920 5.102 0.222 18 0 "[ . 1 . 2]" 1
1621 2 31 GLN HG2 2 38 PRO HD2 . . 4.820 4.920 3.789 5.003 0.183 5 0 "[ . 1 . 2]" 1
1622 2 31 GLN HG3 2 32 ASP H . . 4.500 4.637 3.798 4.717 0.217 2 0 "[ . 1 . 2]" 1
1623 2 31 GLN HG3 2 35 GLY HA2 . . 4.890 2.638 2.519 3.578 . 0 0 "[ . 1 . 2]" 1
1624 2 31 GLN HG3 2 37 PRO HA . . 4.940 3.946 3.735 5.006 0.066 18 0 "[ . 1 . 2]" 1
1625 2 31 GLN HG3 2 38 PRO HD2 . . 5.010 4.406 4.286 5.183 0.173 18 0 "[ . 1 . 2]" 1
1626 2 32 ASP H 2 32 ASP HB2 . . 2.980 2.270 2.122 2.345 . 0 0 "[ . 1 . 2]" 1
1627 2 32 ASP H 2 32 ASP HB3 . . 3.070 2.815 2.788 2.834 . 0 0 "[ . 1 . 2]" 1
1628 2 32 ASP H 2 33 LYS H . . 3.430 2.184 2.089 2.394 . 0 0 "[ . 1 . 2]" 1
1629 2 32 ASP H 2 33 LYS HB2 . . 4.790 4.050 3.910 4.282 . 0 0 "[ . 1 . 2]" 1
1630 2 32 ASP H 2 33 LYS HG2 . . 4.550 4.158 4.049 4.387 . 0 0 "[ . 1 . 2]" 1
1631 2 32 ASP H 2 34 GLU H . . 4.870 3.719 3.561 3.967 . 0 0 "[ . 1 . 2]" 1
1632 2 32 ASP H 2 35 GLY H . . 5.340 3.996 3.843 4.298 . 0 0 "[ . 1 . 2]" 1
1633 2 32 ASP H 2 36 ILE H . . 5.150 5.203 5.102 5.234 0.084 4 0 "[ . 1 . 2]" 1
1634 2 32 ASP HA 2 32 ASP HB2 . . 2.950 2.703 2.684 2.714 . 0 0 "[ . 1 . 2]" 1
1635 2 32 ASP HA 2 32 ASP HB3 . . 3.010 3.008 3.001 3.013 0.003 15 0 "[ . 1 . 2]" 1
1636 2 32 ASP HA 2 35 GLY H . . 4.270 4.070 4.012 4.158 . 0 0 "[ . 1 . 2]" 1
1637 2 32 ASP HB2 2 33 LYS H . . 3.300 3.390 3.378 3.404 0.104 15 0 "[ . 1 . 2]" 1
1638 2 32 ASP HB2 2 33 LYS HB2 . . 5.290 5.388 5.362 5.407 0.117 10 0 "[ . 1 . 2]" 1
1639 2 32 ASP HB2 2 33 LYS HG2 . . 4.360 4.329 4.276 4.377 0.017 18 0 "[ . 1 . 2]" 1
1640 2 32 ASP HB2 2 34 GLU H . . 5.450 5.483 5.447 5.507 0.057 18 0 "[ . 1 . 2]" 1
1641 2 32 ASP HB3 2 33 LYS H . . 3.770 2.582 2.530 2.636 . 0 0 "[ . 1 . 2]" 1
1642 2 32 ASP HB3 2 33 LYS HG2 . . 4.840 2.859 2.818 2.915 . 0 0 "[ . 1 . 2]" 1
1643 2 33 LYS H 2 33 LYS HB2 . . 3.180 2.187 2.175 2.223 . 0 0 "[ . 1 . 2]" 1
1644 2 33 LYS H 2 33 LYS HB3 . . 3.520 3.499 3.488 3.522 0.002 10 0 "[ . 1 . 2]" 1
1645 2 33 LYS H 2 33 LYS HG2 . . 3.270 2.534 2.487 2.604 . 0 0 "[ . 1 . 2]" 1
1646 2 33 LYS H 2 33 LYS HG3 . . 4.250 3.662 3.590 3.761 . 0 0 "[ . 1 . 2]" 1
1647 2 33 LYS H 2 34 GLU H . . 3.160 2.530 2.490 2.559 . 0 0 "[ . 1 . 2]" 1
1648 2 33 LYS H 2 34 GLU HA . . 5.270 5.229 5.202 5.249 . 0 0 "[ . 1 . 2]" 1
1649 2 33 LYS H 2 34 GLU HB2 . . 4.890 4.752 4.709 4.784 . 0 0 "[ . 1 . 2]" 1
1650 2 33 LYS H 2 35 GLY H . . 4.000 3.688 3.617 3.837 . 0 0 "[ . 1 . 2]" 1
1651 2 33 LYS HA 2 33 LYS QD . . 3.400 2.093 2.041 2.131 . 0 0 "[ . 1 . 2]" 1
1652 2 33 LYS HA 2 33 LYS HE3 . . 4.840 4.797 4.759 4.854 0.014 14 0 "[ . 1 . 2]" 1
1653 2 33 LYS HA 2 33 LYS HG2 . . 3.160 2.870 2.810 3.013 . 0 0 "[ . 1 . 2]" 1
1654 2 33 LYS HA 2 34 GLU HA . . 4.700 4.571 4.557 4.591 . 0 0 "[ . 1 . 2]" 1
1655 2 33 LYS HA 2 35 GLY H . . 4.760 4.843 4.821 4.918 0.158 18 0 "[ . 1 . 2]" 1
1656 2 33 LYS HB2 2 33 LYS HE3 . . 4.910 4.665 4.647 4.683 . 0 0 "[ . 1 . 2]" 1
1657 2 33 LYS HB2 2 34 GLU H . . 3.580 2.828 2.730 2.901 . 0 0 "[ . 1 . 2]" 1
1658 2 33 LYS HB2 2 35 GLY H . . 4.760 4.620 4.510 4.769 0.009 18 0 "[ . 1 . 2]" 1
1659 2 33 LYS HB3 2 33 LYS QD . . 3.780 2.307 2.280 2.370 . 0 0 "[ . 1 . 2]" 1
1660 2 33 LYS HB3 2 33 LYS HE2 . . 4.760 4.557 4.517 4.582 . 0 0 "[ . 1 . 2]" 1
1661 2 33 LYS HB3 2 34 GLU H . . 3.690 3.660 3.593 3.709 0.019 10 0 "[ . 1 . 2]" 1
1662 2 33 LYS HB3 2 34 GLU HA . . 4.890 4.576 4.441 4.636 . 0 0 "[ . 1 . 2]" 1
1663 2 33 LYS QD 2 33 LYS HG2 . . 2.500 2.330 2.289 2.354 . 0 0 "[ . 1 . 2]" 1
1664 2 33 LYS HE2 2 33 LYS HG2 . . 3.180 2.506 2.458 2.575 . 0 0 "[ . 1 . 2]" 1
1665 2 33 LYS HE2 2 33 LYS HG3 . . 3.170 2.773 2.675 2.872 . 0 0 "[ . 1 . 2]" 1
1666 2 34 GLU H 2 34 GLU HB2 . . 3.640 2.552 2.518 2.572 . 0 0 "[ . 1 . 2]" 1
1667 2 34 GLU H 2 34 GLU HB3 . . 4.040 3.735 3.710 3.748 . 0 0 "[ . 1 . 2]" 1
1668 2 34 GLU H 2 34 GLU HG2 . . 4.310 3.151 3.100 3.210 . 0 0 "[ . 1 . 2]" 1
1669 2 34 GLU H 2 34 GLU HG3 . . 4.260 4.291 4.276 4.302 0.042 2 0 "[ . 1 . 2]" 1
1670 2 34 GLU H 2 35 GLY H . . 3.490 1.865 1.809 1.992 . 0 0 "[ . 1 . 2]" 1
1671 2 34 GLU H 2 35 GLY HA2 . . 4.880 4.222 4.165 4.316 . 0 0 "[ . 1 . 2]" 1
1672 2 34 GLU H 2 35 GLY HA3 . . 5.000 4.644 4.597 4.712 . 0 0 "[ . 1 . 2]" 1
1673 2 34 GLU H 2 36 ILE H . . 4.620 3.423 3.322 3.685 . 0 0 "[ . 1 . 2]" 1
1674 2 34 GLU H 2 36 ILE MD . . 4.580 4.311 4.222 4.398 . 0 0 "[ . 1 . 2]" 1
1675 2 34 GLU HA 2 34 GLU HG2 . . 4.130 2.972 2.920 3.012 . 0 0 "[ . 1 . 2]" 1
1676 2 34 GLU HA 2 34 GLU HG3 . . 4.020 3.722 3.712 3.745 . 0 0 "[ . 1 . 2]" 1
1677 2 34 GLU HA 2 35 GLY HA3 . . 4.910 4.550 4.496 4.571 . 0 0 "[ . 1 . 2]" 1
1678 2 34 GLU HA 2 36 ILE MD . . 4.810 4.465 4.345 4.564 . 0 0 "[ . 1 . 2]" 1
1679 2 34 GLU HB2 2 35 GLY H . . 4.800 3.263 3.215 3.312 . 0 0 "[ . 1 . 2]" 1
1680 2 34 GLU HB2 2 36 ILE H . . 4.680 2.846 2.740 3.453 . 0 0 "[ . 1 . 2]" 1
1681 2 34 GLU HB2 2 36 ILE MD . . 4.470 2.169 2.138 2.210 . 0 0 "[ . 1 . 2]" 1
1682 2 34 GLU HB3 2 35 GLY H . . 3.880 4.027 4.009 4.046 0.166 20 0 "[ . 1 . 2]" 1
1683 2 34 GLU HB3 2 36 ILE H . . 4.480 3.545 3.435 4.228 . 0 0 "[ . 1 . 2]" 1
1684 2 34 GLU HB3 2 36 ILE MD . . 3.770 2.441 2.253 2.574 . 0 0 "[ . 1 . 2]" 1
1685 2 34 GLU HB3 2 36 ILE HG13 . . 4.530 2.310 2.225 2.601 . 0 0 "[ . 1 . 2]" 1
1686 2 34 GLU HG2 2 36 ILE MD . . 4.650 3.682 3.583 3.828 . 0 0 "[ . 1 . 2]" 1
1687 2 34 GLU HG3 2 36 ILE MD . . 4.300 2.623 2.542 2.801 . 0 0 "[ . 1 . 2]" 1
1688 2 35 GLY H 2 36 ILE H . . 3.800 2.496 2.454 2.548 . 0 0 "[ . 1 . 2]" 1
1689 2 35 GLY H 2 36 ILE HB . . 4.760 4.585 4.481 4.642 . 0 0 "[ . 1 . 2]" 1
1690 2 35 GLY H 2 36 ILE MD . . 4.660 4.687 4.626 4.701 0.041 15 0 "[ . 1 . 2]" 1
1691 2 36 ILE H 2 36 ILE HB . . 3.530 2.344 2.303 2.432 . 0 0 "[ . 1 . 2]" 1
1692 2 36 ILE H 2 36 ILE MD . . 3.650 3.318 3.273 3.689 0.039 18 0 "[ . 1 . 2]" 1
1693 2 36 ILE H 2 36 ILE HG12 . . 4.040 3.798 3.738 4.140 0.100 18 0 "[ . 1 . 2]" 1
1694 2 36 ILE H 2 36 ILE HG13 . . 3.870 2.410 2.338 2.889 . 0 0 "[ . 1 . 2]" 1
1695 2 36 ILE H 2 36 ILE MG . . 3.830 3.742 3.724 3.757 . 0 0 "[ . 1 . 2]" 1
1696 2 36 ILE HA 2 36 ILE MD . . 4.070 3.843 3.825 3.858 . 0 0 "[ . 1 . 2]" 1
1697 2 36 ILE HA 2 36 ILE HG12 . . 3.990 2.628 2.586 2.663 . 0 0 "[ . 1 . 2]" 1
1698 2 36 ILE HA 2 36 ILE HG13 . . 3.780 2.700 2.648 2.748 . 0 0 "[ . 1 . 2]" 1
1699 2 36 ILE HA 2 36 ILE MG . . 3.280 2.504 2.472 2.537 . 0 0 "[ . 1 . 2]" 1
1700 2 36 ILE HA 2 37 PRO HD2 . . 3.420 2.213 2.152 2.282 . 0 0 "[ . 1 . 2]" 1
1701 2 36 ILE HA 2 37 PRO HD3 . . 3.390 2.281 2.234 2.321 . 0 0 "[ . 1 . 2]" 1
1702 2 36 ILE HA 2 37 PRO HG2 . . 4.570 4.392 4.343 4.444 . 0 0 "[ . 1 . 2]" 1
1703 2 36 ILE HA 2 37 PRO HG3 . . 4.470 4.446 4.426 4.476 0.006 1 0 "[ . 1 . 2]" 1
1704 2 36 ILE HB 2 41 GLN HE21 . . 4.470 3.073 2.801 3.855 . 0 0 "[ . 1 . 2]" 1
1705 2 36 ILE HB 2 41 GLN HE22 . . 5.500 3.539 3.335 3.722 . 0 0 "[ . 1 . 2]" 1
1706 2 36 ILE HB 2 71 LEU QD . . 4.920 3.617 3.554 3.711 . 0 0 "[ . 1 . 2]" 1
1707 2 36 ILE MD 2 36 ILE MG . . 3.230 2.088 2.069 2.105 . 0 0 "[ . 1 . 2]" 1
1708 2 36 ILE MD 2 37 PRO HD2 . . 5.500 4.636 4.534 4.741 . 0 0 "[ . 1 . 2]" 1
1709 2 36 ILE MD 2 41 GLN HE21 . . 5.090 4.584 4.410 5.197 0.107 9 0 "[ . 1 . 2]" 1
1710 2 36 ILE MD 2 41 GLN HE22 . . 5.390 4.730 4.542 4.918 . 0 0 "[ . 1 . 2]" 1
1711 2 36 ILE MD 2 71 LEU QD . . 2.400 2.001 1.866 2.142 . 0 0 "[ . 1 . 2]" 1
1712 2 36 ILE MD 2 71 LEU HG . . 4.740 3.867 3.781 3.963 . 0 0 "[ . 1 . 2]" 1
1713 2 36 ILE HG12 2 71 LEU QD . . 2.570 2.588 2.571 2.611 0.041 8 0 "[ . 1 . 2]" 1
1714 2 36 ILE HG13 2 37 PRO HD3 . . 4.860 4.948 4.928 4.966 0.106 18 0 "[ . 1 . 2]" 1
1715 2 36 ILE MG 2 37 PRO HB2 . . 5.430 4.585 4.487 4.730 . 0 0 "[ . 1 . 2]" 1
1716 2 36 ILE MG 2 37 PRO HD2 . . 3.700 2.014 1.923 2.107 . 0 0 "[ . 1 . 2]" 1
1717 2 36 ILE MG 2 37 PRO HD3 . . 3.950 3.383 3.317 3.474 . 0 0 "[ . 1 . 2]" 1
1718 2 36 ILE MG 2 37 PRO HG2 . . 5.360 3.300 3.116 3.445 . 0 0 "[ . 1 . 2]" 1
1719 2 36 ILE MG 2 37 PRO HG3 . . 5.220 4.236 4.068 4.369 . 0 0 "[ . 1 . 2]" 1
1720 2 36 ILE MG 2 38 PRO HA . . 5.080 4.178 3.892 4.420 . 0 0 "[ . 1 . 2]" 1
1721 2 36 ILE MG 2 40 GLN H . . 4.330 3.904 3.858 3.953 . 0 0 "[ . 1 . 2]" 1
1722 2 36 ILE MG 2 40 GLN HA . . 5.260 5.277 5.199 5.330 0.070 17 0 "[ . 1 . 2]" 1
1723 2 36 ILE MG 2 40 GLN HB2 . . 4.410 3.071 2.937 3.177 . 0 0 "[ . 1 . 2]" 1
1724 2 36 ILE MG 2 40 GLN HB3 . . 4.510 4.026 3.829 4.251 . 0 0 "[ . 1 . 2]" 1
1725 2 36 ILE MG 2 40 GLN HE21 . . 5.500 4.526 3.190 5.528 0.028 2 0 "[ . 1 . 2]" 1
1726 2 36 ILE MG 2 40 GLN HE22 . . 5.500 4.959 4.209 5.456 . 0 0 "[ . 1 . 2]" 1
1727 2 36 ILE MG 2 40 GLN QG . . 4.610 4.598 4.394 4.693 0.083 18 0 "[ . 1 . 2]" 1
1728 2 36 ILE MG 2 41 GLN H . . 4.330 3.563 3.010 3.802 . 0 0 "[ . 1 . 2]" 1
1729 2 36 ILE MG 2 41 GLN HA . . 4.570 3.527 3.352 3.708 . 0 0 "[ . 1 . 2]" 1
1730 2 36 ILE MG 2 41 GLN HE21 . . 3.880 2.590 2.202 2.971 . 0 0 "[ . 1 . 2]" 1
1731 2 36 ILE MG 2 41 GLN HE22 . . 4.420 3.787 3.544 3.897 . 0 0 "[ . 1 . 2]" 1
1732 2 36 ILE MG 2 41 GLN QG . . 4.440 2.041 1.843 3.019 . 0 0 "[ . 1 . 2]" 1
1733 2 36 ILE MG 2 71 LEU QD . . 2.400 1.795 1.762 1.854 . 0 0 "[ . 1 . 2]" 1
1734 2 37 PRO HA 2 38 PRO HD2 . . 3.210 1.832 1.815 1.842 . 0 0 "[ . 1 . 2]" 1
1735 2 37 PRO HA 2 38 PRO HG2 . . 4.710 3.989 3.949 4.030 . 0 0 "[ . 1 . 2]" 1
1736 2 37 PRO HA 2 38 PRO HG3 . . 4.240 4.398 4.389 4.406 0.166 3 0 "[ . 1 . 2]" 1
1737 2 37 PRO HA 2 39 ASP H . . 5.130 3.546 3.455 3.688 . 0 0 "[ . 1 . 2]" 1
1738 2 37 PRO HB2 2 39 ASP H . . 4.090 2.396 2.244 2.590 . 0 0 "[ . 1 . 2]" 1
1739 2 37 PRO HB2 2 40 GLN H . . 4.380 3.045 2.974 3.104 . 0 0 "[ . 1 . 2]" 1
1740 2 37 PRO HB2 2 40 GLN QG . . 3.920 3.413 3.113 3.650 . 0 0 "[ . 1 . 2]" 1
1741 2 37 PRO HB3 2 38 PRO HD2 . . 4.460 3.612 3.462 3.763 . 0 0 "[ . 1 . 2]" 1
1742 2 37 PRO HB3 2 39 ASP H . . 4.160 3.883 3.765 4.113 . 0 0 "[ . 1 . 2]" 1
1743 2 37 PRO HB3 2 40 GLN H . . 4.510 4.648 4.597 4.694 0.184 13 0 "[ . 1 . 2]" 1
1744 2 37 PRO HD2 2 40 GLN HB2 . . 5.050 3.209 2.969 3.393 . 0 0 "[ . 1 . 2]" 1
1745 2 37 PRO HD2 2 40 GLN HE21 . . 5.120 4.316 2.350 4.990 . 0 0 "[ . 1 . 2]" 1
1746 2 37 PRO HD2 2 40 GLN QG . . 4.750 4.402 4.096 4.620 . 0 0 "[ . 1 . 2]" 1
1747 2 37 PRO HD3 2 40 GLN HB2 . . 4.950 4.639 4.410 4.848 . 0 0 "[ . 1 . 2]" 1
1748 2 37 PRO HD3 2 40 GLN QG . . 5.190 5.121 4.877 5.236 0.046 10 0 "[ . 1 . 2]" 1
1749 2 37 PRO HG3 2 40 GLN H . . 4.980 4.475 4.246 4.627 . 0 0 "[ . 1 . 2]" 1
1750 2 37 PRO HG3 2 40 GLN HE21 . . 4.480 4.023 2.760 4.588 0.108 1 0 "[ . 1 . 2]" 1
1751 2 37 PRO HG3 2 40 GLN HE22 . . 4.790 4.011 3.633 4.264 . 0 0 "[ . 1 . 2]" 1
1752 2 37 PRO HG3 2 40 GLN QG . . 4.030 3.288 2.990 3.519 . 0 0 "[ . 1 . 2]" 1
1753 2 38 PRO HA 2 40 GLN H . . 4.520 3.678 3.497 4.059 . 0 0 "[ . 1 . 2]" 1
1754 2 38 PRO HA 2 41 GLN H . . 4.250 2.950 2.732 3.417 . 0 0 "[ . 1 . 2]" 1
1755 2 38 PRO HA 2 41 GLN HE21 . . 3.960 2.901 2.303 3.204 . 0 0 "[ . 1 . 2]" 1
1756 2 38 PRO HA 2 41 GLN HE22 . . 4.320 3.812 3.293 3.980 . 0 0 "[ . 1 . 2]" 1
1757 2 38 PRO HB2 2 39 ASP H . . 3.460 3.523 3.505 3.541 0.081 20 0 "[ . 1 . 2]" 1
1758 2 38 PRO HB2 2 39 ASP HA . . 4.770 4.281 4.215 4.334 . 0 0 "[ . 1 . 2]" 1
1759 2 38 PRO HD2 2 39 ASP H . . 4.120 3.195 3.126 3.271 . 0 0 "[ . 1 . 2]" 1
1760 2 38 PRO HG2 2 39 ASP H . . 4.920 2.768 2.738 2.788 . 0 0 "[ . 1 . 2]" 1
1761 2 38 PRO HG3 2 39 ASP H . . 4.280 4.283 4.248 4.305 0.025 5 0 "[ . 1 . 2]" 1
1762 2 39 ASP H 2 39 ASP HB2 . . 3.430 2.462 2.396 2.565 . 0 0 "[ . 1 . 2]" 1
1763 2 39 ASP H 2 39 ASP HB3 . . 3.390 2.636 2.335 3.526 0.136 13 0 "[ . 1 . 2]" 1
1764 2 39 ASP H 2 40 GLN H . . 3.250 2.698 2.659 2.730 . 0 0 "[ . 1 . 2]" 1
1765 2 39 ASP H 2 40 GLN QG . . 4.820 4.433 4.149 4.761 . 0 0 "[ . 1 . 2]" 1
1766 2 39 ASP H 2 41 GLN H . . 5.020 4.047 3.898 4.262 . 0 0 "[ . 1 . 2]" 1
1767 2 39 ASP HA 2 39 ASP HB2 . . 2.950 2.557 2.411 3.034 0.084 3 0 "[ . 1 . 2]" 1
1768 2 39 ASP HA 2 39 ASP HB3 . . 2.910 2.938 2.455 3.028 0.118 12 0 "[ . 1 . 2]" 1
1769 2 39 ASP HB2 2 40 GLN H . . 4.600 4.095 3.347 4.300 . 0 0 "[ . 1 . 2]" 1
1770 2 39 ASP HB3 2 40 GLN H . . 4.530 3.350 2.796 4.218 . 0 0 "[ . 1 . 2]" 1
1771 2 40 GLN H 2 40 GLN HB2 . . 3.630 2.544 2.326 2.701 . 0 0 "[ . 1 . 2]" 1
1772 2 40 GLN H 2 40 GLN HB3 . . 3.850 3.728 3.589 3.826 . 0 0 "[ . 1 . 2]" 1
1773 2 40 GLN H 2 40 GLN HG2 . . 4.260 4.009 3.842 4.230 . 0 0 "[ . 1 . 2]" 1
1774 2 40 GLN H 2 40 GLN QG . . 3.430 2.874 2.611 3.075 . 0 0 "[ . 1 . 2]" 1
1775 2 40 GLN H 2 41 GLN H . . 3.350 2.079 1.925 2.414 . 0 0 "[ . 1 . 2]" 1
1776 2 40 GLN HA 2 40 GLN QG . . 3.210 2.314 2.271 2.366 . 0 0 "[ . 1 . 2]" 1
1777 2 40 GLN HA 2 72 ARG H . . 3.980 3.004 2.785 3.123 . 0 0 "[ . 1 . 2]" 1
1778 2 40 GLN HA 2 72 ARG HB2 . . 3.860 2.213 2.126 2.325 . 0 0 "[ . 1 . 2]" 1
1779 2 40 GLN HA 2 72 ARG HB3 . . 3.740 3.813 3.759 3.888 0.148 15 0 "[ . 1 . 2]" 1
1780 2 40 GLN HA 2 72 ARG QD . . 4.890 2.946 1.988 4.064 . 0 0 "[ . 1 . 2]" 1
1781 2 40 GLN HA 2 72 ARG HE . . 4.810 3.511 2.045 4.812 0.002 19 0 "[ . 1 . 2]" 1
1782 2 40 GLN HA 2 72 ARG HG2 . . 4.340 4.290 4.130 4.423 0.083 4 0 "[ . 1 . 2]" 1
1783 2 40 GLN HA 2 72 ARG HG3 . . 4.510 2.903 2.618 3.236 . 0 0 "[ . 1 . 2]" 1
1784 2 40 GLN HB2 2 41 GLN H . . 3.800 3.292 3.055 3.461 . 0 0 "[ . 1 . 2]" 1
1785 2 40 GLN HB2 2 71 LEU QD . . 5.390 3.242 2.803 3.745 . 0 0 "[ . 1 . 2]" 1
1786 2 40 GLN HB2 2 72 ARG H . . 4.830 3.637 3.474 3.898 . 0 0 "[ . 1 . 2]" 1
1787 2 40 GLN HB3 2 41 GLN H . . 4.120 4.080 3.899 4.178 0.058 11 0 "[ . 1 . 2]" 1
1788 2 40 GLN HB3 2 71 LEU QD . . 3.920 3.286 2.717 3.854 . 0 0 "[ . 1 . 2]" 1
1789 2 40 GLN HB3 2 72 ARG H . . 4.780 2.031 1.777 2.269 . 0 0 "[ . 1 . 2]" 1
1790 2 40 GLN HB3 2 72 ARG HG2 . . 5.170 5.124 4.959 5.227 0.057 17 0 "[ . 1 . 2]" 1
1791 2 40 GLN HB3 2 74 ARG QD . . 4.620 4.092 3.617 4.613 . 0 0 "[ . 1 . 2]" 1
1792 2 40 GLN HE21 2 40 GLN HG2 . . 3.630 3.020 2.792 3.606 . 0 0 "[ . 1 . 2]" 1
1793 2 40 GLN HE21 2 72 ARG H . . 5.500 4.157 3.245 5.617 0.117 17 0 "[ . 1 . 2]" 1
1794 2 40 GLN HE21 2 73 LEU HA . . 4.630 3.661 2.878 4.650 0.020 5 0 "[ . 1 . 2]" 1
1795 2 40 GLN HE22 2 40 GLN HG2 . . 3.930 3.846 3.743 4.113 0.183 13 0 "[ . 1 . 2]" 1
1796 2 40 GLN HE22 2 71 LEU QD . . 5.500 4.439 3.916 5.117 . 0 0 "[ . 1 . 2]" 1
1797 2 40 GLN HE22 2 72 ARG H . . 5.500 5.321 4.949 5.603 0.103 5 0 "[ . 1 . 2]" 1
1798 2 40 GLN HE22 2 73 LEU HA . . 5.380 3.310 2.616 4.746 . 0 0 "[ . 1 . 2]" 1
1799 2 40 GLN HE22 2 74 ARG H . . 5.320 5.224 4.349 5.393 0.073 4 0 "[ . 1 . 2]" 1
1800 2 40 GLN HE22 2 74 ARG QD . . 5.500 4.512 3.240 5.518 0.018 16 0 "[ . 1 . 2]" 1
1801 2 40 GLN QG 2 41 GLN H . . 4.670 4.362 4.215 4.487 . 0 0 "[ . 1 . 2]" 1
1802 2 40 GLN QG 2 72 ARG H . . 4.520 3.557 3.091 3.879 . 0 0 "[ . 1 . 2]" 1
1803 2 40 GLN QG 2 72 ARG HB2 . . 4.960 2.360 2.254 2.470 . 0 0 "[ . 1 . 2]" 1
1804 2 40 GLN QG 2 72 ARG HG2 . . 5.170 5.182 5.106 5.230 0.060 8 0 "[ . 1 . 2]" 1
1805 2 40 GLN QG 2 74 ARG QD . . 4.470 2.438 1.930 2.866 . 0 0 "[ . 1 . 2]" 1
1806 2 40 GLN HG2 2 74 ARG HE . . 4.690 3.182 1.949 4.757 0.067 4 0 "[ . 1 . 2]" 1
1807 2 40 GLN HG3 2 72 ARG H . . 4.770 4.757 4.366 4.966 0.196 1 0 "[ . 1 . 2]" 1
1808 2 41 GLN H 2 41 GLN HB3 . . 3.790 3.481 2.734 3.621 . 0 0 "[ . 1 . 2]" 1
1809 2 41 GLN H 2 42 ARG H . . 4.710 4.587 4.522 4.625 . 0 0 "[ . 1 . 2]" 1
1810 2 41 GLN H 2 71 LEU QD . . 4.260 3.728 3.520 3.991 . 0 0 "[ . 1 . 2]" 1
1811 2 41 GLN HA 2 42 ARG H . . 3.210 2.120 2.023 2.203 . 0 0 "[ . 1 . 2]" 1
1812 2 41 GLN HA 2 69 LEU QD . . 5.080 3.694 2.840 4.989 . 0 0 "[ . 1 . 2]" 1
1813 2 41 GLN HA 2 71 LEU HA . . 4.280 2.795 2.086 3.061 . 0 0 "[ . 1 . 2]" 1
1814 2 41 GLN HA 2 71 LEU QD . . 3.360 2.097 1.972 2.279 . 0 0 "[ . 1 . 2]" 1
1815 2 41 GLN HA 2 71 LEU HG . . 5.250 4.652 4.376 4.853 . 0 0 "[ . 1 . 2]" 1
1816 2 41 GLN HA 2 72 ARG H . . 4.530 4.160 3.564 4.528 . 0 0 "[ . 1 . 2]" 1
1817 2 41 GLN HE21 2 71 LEU QD . . 5.140 4.439 4.261 4.806 . 0 0 "[ . 1 . 2]" 1
1818 2 42 ARG H 2 42 ARG HB3 . . 4.200 3.760 2.907 3.856 . 0 0 "[ . 1 . 2]" 1
1819 2 42 ARG H 2 42 ARG QG . . 4.380 3.174 2.905 4.161 . 0 0 "[ . 1 . 2]" 1
1820 2 42 ARG H 2 43 LEU H . . 4.840 3.695 2.547 4.454 . 0 0 "[ . 1 . 2]" 1
1821 2 42 ARG H 2 69 LEU HA . . 5.320 4.096 3.855 4.475 . 0 0 "[ . 1 . 2]" 1
1822 2 42 ARG H 2 69 LEU QD . . 5.010 3.463 2.248 4.661 . 0 0 "[ . 1 . 2]" 1
1823 2 42 ARG H 2 70 VAL H . . 4.270 2.907 2.324 4.277 0.007 2 0 "[ . 1 . 2]" 1
1824 2 42 ARG H 2 70 VAL QG . . 4.860 4.030 3.665 4.487 . 0 0 "[ . 1 . 2]" 1
1825 2 42 ARG H 2 71 LEU HA . . 4.420 3.370 3.099 3.789 . 0 0 "[ . 1 . 2]" 1
1826 2 42 ARG H 2 71 LEU QD . . 3.310 2.888 2.678 3.313 0.003 20 0 "[ . 1 . 2]" 1
1827 2 42 ARG H 2 72 ARG H . . 4.980 5.074 5.035 5.115 0.135 5 0 "[ . 1 . 2]" 1
1828 2 42 ARG HA 2 42 ARG HD2 . . 4.830 4.815 4.258 4.907 0.077 9 0 "[ . 1 . 2]" 1
1829 2 42 ARG HA 2 42 ARG QG . . 3.650 2.435 2.286 2.515 . 0 0 "[ . 1 . 2]" 1
1830 2 42 ARG HA 2 43 LEU H . . 3.060 2.400 2.294 2.808 . 0 0 "[ . 1 . 2]" 1
1831 2 42 ARG HA 2 70 VAL QG . . 4.880 4.592 4.180 4.975 0.095 18 0 "[ . 1 . 2]" 1
1832 2 42 ARG HB2 2 42 ARG HE . . 4.370 3.267 2.916 4.401 0.031 1 0 "[ . 1 . 2]" 1
1833 2 42 ARG HB2 2 43 LEU H . . 4.380 4.261 3.811 4.532 0.152 1 0 "[ . 1 . 2]" 1
1834 2 42 ARG HB2 2 70 VAL H . . 4.620 3.160 2.630 4.515 . 0 0 "[ . 1 . 2]" 1
1835 2 42 ARG HB2 2 70 VAL QG . . 5.180 2.515 2.025 3.571 . 0 0 "[ . 1 . 2]" 1
1836 2 42 ARG HB3 2 42 ARG HD3 . . 4.240 3.037 2.573 3.183 . 0 0 "[ . 1 . 2]" 1
1837 2 42 ARG HB3 2 42 ARG HE . . 4.760 2.197 1.881 4.443 . 0 0 "[ . 1 . 2]" 1
1838 2 42 ARG HB3 2 43 LEU H . . 4.990 3.714 2.714 4.448 . 0 0 "[ . 1 . 2]" 1
1839 2 42 ARG HD2 2 70 VAL QG . . 4.170 4.134 3.529 4.207 0.037 6 0 "[ . 1 . 2]" 1
1840 2 42 ARG HD2 2 72 ARG HA . . 4.830 4.525 3.882 4.919 0.089 9 0 "[ . 1 . 2]" 1
1841 2 42 ARG HD2 2 72 ARG HG2 . . 5.130 2.692 2.113 3.292 . 0 0 "[ . 1 . 2]" 1
1842 2 42 ARG HD2 2 72 ARG HG3 . . 4.820 3.015 2.717 3.414 . 0 0 "[ . 1 . 2]" 1
1843 2 42 ARG HD3 2 70 VAL QG . . 4.430 2.806 2.266 2.997 . 0 0 "[ . 1 . 2]" 1
1844 2 42 ARG HD3 2 72 ARG HG3 . . 5.400 3.533 2.940 4.645 . 0 0 "[ . 1 . 2]" 1
1845 2 42 ARG HE 2 44 ILE MD . . 5.140 4.068 3.638 4.480 . 0 0 "[ . 1 . 2]" 1
1846 2 42 ARG HE 2 44 ILE HG12 . . 5.150 5.193 5.165 5.243 0.093 17 0 "[ . 1 . 2]" 1
1847 2 42 ARG HE 2 44 ILE HG13 . . 5.500 5.010 4.792 5.516 0.016 20 0 "[ . 1 . 2]" 1
1848 2 42 ARG HE 2 70 VAL QG . . 4.800 3.583 3.165 4.066 . 0 0 "[ . 1 . 2]" 1
1849 2 42 ARG HE 2 72 ARG QD . . 5.500 5.294 4.865 5.549 0.049 8 0 "[ . 1 . 2]" 1
1850 2 42 ARG QG 2 43 LEU H . . 4.670 4.320 4.020 4.602 . 0 0 "[ . 1 . 2]" 1
1851 2 43 LEU H 2 43 LEU HB2 . . 3.730 2.699 2.229 3.979 0.249 17 0 "[ . 1 . 2]" 1
1852 2 43 LEU H 2 43 LEU HB3 . . 4.160 3.352 2.339 3.784 . 0 0 "[ . 1 . 2]" 1
1853 2 43 LEU H 2 43 LEU QD . . 4.280 2.810 1.845 3.703 . 0 0 "[ . 1 . 2]" 1
1854 2 43 LEU H 2 43 LEU HG . . 4.210 3.385 2.081 4.394 0.184 1 0 "[ . 1 . 2]" 1
1855 2 43 LEU H 2 44 ILE H . . 5.270 4.576 4.398 4.712 . 0 0 "[ . 1 . 2]" 1
1856 2 43 LEU H 2 50 LEU QD . . 5.500 4.442 3.838 4.943 . 0 0 "[ . 1 . 2]" 1
1857 2 43 LEU H 2 69 LEU HA . . 5.500 4.827 4.161 5.516 0.016 3 0 "[ . 1 . 2]" 1
1858 2 43 LEU HA 2 43 LEU HG . . 4.240 2.914 2.369 3.871 . 0 0 "[ . 1 . 2]" 1
1859 2 43 LEU HA 2 44 ILE H . . 3.090 2.261 2.192 2.484 . 0 0 "[ . 1 . 2]" 1
1860 2 43 LEU HA 2 44 ILE HB . . 4.900 4.283 4.152 4.462 . 0 0 "[ . 1 . 2]" 1
1861 2 43 LEU HA 2 44 ILE HG13 . . 5.180 3.547 3.096 3.954 . 0 0 "[ . 1 . 2]" 1
1862 2 43 LEU HA 2 69 LEU HA . . 3.890 2.689 2.090 3.236 . 0 0 "[ . 1 . 2]" 1
1863 2 43 LEU HA 2 70 VAL QG . . 5.170 4.052 3.011 4.439 . 0 0 "[ . 1 . 2]" 1
1864 2 43 LEU HB2 2 44 ILE H . . 4.520 3.791 2.538 4.296 . 0 0 "[ . 1 . 2]" 1
1865 2 43 LEU HB2 2 50 LEU QD . . 4.930 3.179 2.563 3.999 . 0 0 "[ . 1 . 2]" 1
1866 2 43 LEU HB2 2 67 LEU QD . . 5.230 3.903 2.850 4.324 . 0 0 "[ . 1 . 2]" 1
1867 2 43 LEU HB3 2 44 ILE H . . 4.510 3.204 2.725 4.103 . 0 0 "[ . 1 . 2]" 1
1868 2 43 LEU HB3 2 50 LEU QD . . 4.000 2.920 2.141 4.648 0.648 16 2 "[ . 1 .+- 2]" 1
1869 2 43 LEU HB3 2 67 LEU QD . . 4.240 3.190 2.538 4.376 0.136 20 0 "[ . 1 . 2]" 1
1870 2 43 LEU QD 2 44 ILE H . . 5.500 3.441 2.674 4.157 . 0 0 "[ . 1 . 2]" 1
1871 2 43 LEU QD 2 50 LEU QD . . 4.120 3.062 2.191 3.815 . 0 0 "[ . 1 . 2]" 1
1872 2 43 LEU HG 2 44 ILE H . . 4.790 4.078 2.610 4.914 0.124 11 0 "[ . 1 . 2]" 1
1873 2 44 ILE H 2 44 ILE HB . . 3.460 2.761 2.650 2.822 . 0 0 "[ . 1 . 2]" 1
1874 2 44 ILE H 2 44 ILE HG12 . . 4.140 4.084 3.842 4.197 0.057 1 0 "[ . 1 . 2]" 1
1875 2 44 ILE H 2 44 ILE HG13 . . 3.930 3.235 2.950 3.393 . 0 0 "[ . 1 . 2]" 1
1876 2 44 ILE H 2 44 ILE MG . . 4.290 3.871 3.788 3.915 . 0 0 "[ . 1 . 2]" 1
1877 2 44 ILE H 2 50 LEU QD . . 5.080 3.383 3.084 3.991 . 0 0 "[ . 1 . 2]" 1
1878 2 44 ILE H 2 68 HIS HB2 . . 4.780 3.697 3.419 4.061 . 0 0 "[ . 1 . 2]" 1
1879 2 44 ILE HA 2 44 ILE MD . . 3.880 3.766 3.717 3.833 . 0 0 "[ . 1 . 2]" 1
1880 2 44 ILE HA 2 44 ILE HG12 . . 4.110 2.429 2.300 2.540 . 0 0 "[ . 1 . 2]" 1
1881 2 44 ILE HA 2 44 ILE HG13 . . 4.100 3.137 2.970 3.276 . 0 0 "[ . 1 . 2]" 1
1882 2 44 ILE HA 2 44 ILE MG . . 3.310 2.451 2.381 2.546 . 0 0 "[ . 1 . 2]" 1
1883 2 44 ILE HA 2 45 PHE H . . 3.150 2.285 2.161 2.374 . 0 0 "[ . 1 . 2]" 1
1884 2 44 ILE HA 2 45 PHE HA . . 4.680 4.503 4.452 4.538 . 0 0 "[ . 1 . 2]" 1
1885 2 44 ILE HA 2 48 LYS H . . 4.950 4.739 4.463 4.966 0.016 20 0 "[ . 1 . 2]" 1
1886 2 44 ILE HA 2 49 GLN HA . . 3.680 2.502 2.319 2.952 . 0 0 "[ . 1 . 2]" 1
1887 2 44 ILE HA 2 49 GLN HG2 . . 5.040 4.150 3.933 4.586 . 0 0 "[ . 1 . 2]" 1
1888 2 44 ILE HA 2 50 LEU H . . 3.960 2.835 2.371 3.192 . 0 0 "[ . 1 . 2]" 1
1889 2 44 ILE HA 2 50 LEU QD . . 4.140 2.449 1.958 3.451 . 0 0 "[ . 1 . 2]" 1
1890 2 44 ILE HA 2 50 LEU HG . . 4.790 4.083 2.309 4.876 0.086 8 0 "[ . 1 . 2]" 1
1891 2 44 ILE HB 2 44 ILE MD . . 3.430 2.478 2.428 2.523 . 0 0 "[ . 1 . 2]" 1
1892 2 44 ILE HB 2 68 HIS HB2 . . 3.760 2.599 2.405 2.852 . 0 0 "[ . 1 . 2]" 1
1893 2 44 ILE HB 2 68 HIS HB3 . . 4.030 4.016 3.808 4.085 0.055 17 0 "[ . 1 . 2]" 1
1894 2 44 ILE MD 2 45 PHE H . . 4.940 4.661 4.465 4.969 0.029 12 0 "[ . 1 . 2]" 1
1895 2 44 ILE MD 2 47 GLY H . . 4.300 4.119 3.876 4.364 0.064 19 0 "[ . 1 . 2]" 1
1896 2 44 ILE MD 2 48 LYS H . . 5.130 5.177 5.140 5.210 0.080 12 0 "[ . 1 . 2]" 1
1897 2 44 ILE MD 2 49 GLN H . . 4.640 4.117 3.764 4.668 0.028 2 0 "[ . 1 . 2]" 1
1898 2 44 ILE MD 2 49 GLN HA . . 3.850 3.665 3.339 3.868 0.018 10 0 "[ . 1 . 2]" 1
1899 2 44 ILE MD 2 49 GLN HB2 . . 5.120 4.562 4.328 4.930 . 0 0 "[ . 1 . 2]" 1
1900 2 44 ILE MD 2 49 GLN HB3 . . 5.020 3.515 3.200 3.952 . 0 0 "[ . 1 . 2]" 1
1901 2 44 ILE MD 2 49 GLN HE21 . . 4.960 2.574 2.272 2.911 . 0 0 "[ . 1 . 2]" 1
1902 2 44 ILE MD 2 49 GLN HE22 . . 5.220 3.141 2.925 3.442 . 0 0 "[ . 1 . 2]" 1
1903 2 44 ILE MD 2 49 GLN HG2 . . 3.730 2.321 2.193 2.472 . 0 0 "[ . 1 . 2]" 1
1904 2 44 ILE MD 2 49 GLN HG3 . . 4.610 3.720 3.597 3.907 . 0 0 "[ . 1 . 2]" 1
1905 2 44 ILE MD 2 68 HIS HB2 . . 4.450 4.054 3.731 4.462 0.012 19 0 "[ . 1 . 2]" 1
1906 2 44 ILE MD 2 70 VAL HB . . 4.320 3.824 3.293 4.162 . 0 0 "[ . 1 . 2]" 1
1907 2 44 ILE MD 2 70 VAL QG . . 3.000 2.136 1.953 2.462 . 0 0 "[ . 1 . 2]" 1
1908 2 44 ILE HG12 2 44 ILE MG . . 3.460 2.509 2.469 2.541 . 0 0 "[ . 1 . 2]" 1
1909 2 44 ILE HG12 2 45 PHE H . . 4.530 4.180 3.832 4.390 . 0 0 "[ . 1 . 2]" 1
1910 2 44 ILE HG12 2 49 GLN H . . 5.150 3.947 3.625 4.638 . 0 0 "[ . 1 . 2]" 1
1911 2 44 ILE HG12 2 49 GLN HA . . 4.030 2.222 2.061 2.458 . 0 0 "[ . 1 . 2]" 1
1912 2 44 ILE HG12 2 49 GLN HB3 . . 4.910 2.851 2.550 3.570 . 0 0 "[ . 1 . 2]" 1
1913 2 44 ILE HG12 2 49 GLN HG2 . . 4.410 2.545 2.303 2.908 . 0 0 "[ . 1 . 2]" 1
1914 2 44 ILE HG12 2 49 GLN HG3 . . 4.440 4.141 3.884 4.473 0.033 1 0 "[ . 1 . 2]" 1
1915 2 44 ILE HG12 2 50 LEU H . . 4.960 3.699 3.233 3.956 . 0 0 "[ . 1 . 2]" 1
1916 2 44 ILE HG13 2 44 ILE MG . . 3.750 3.217 3.209 3.224 . 0 0 "[ . 1 . 2]" 1
1917 2 44 ILE HG13 2 45 PHE H . . 5.110 5.055 4.848 5.169 0.059 12 0 "[ . 1 . 2]" 1
1918 2 44 ILE HG13 2 49 GLN HA . . 4.180 3.816 3.576 4.071 . 0 0 "[ . 1 . 2]" 1
1919 2 44 ILE HG13 2 49 GLN HG2 . . 5.180 4.120 3.923 4.428 . 0 0 "[ . 1 . 2]" 1
1920 2 44 ILE HG13 2 50 LEU H . . 5.500 4.761 4.425 5.100 . 0 0 "[ . 1 . 2]" 1
1921 2 44 ILE HG13 2 70 VAL QG . . 4.180 2.758 2.562 3.038 . 0 0 "[ . 1 . 2]" 1
1922 2 44 ILE MG 2 45 PHE H . . 3.170 2.239 2.064 2.641 . 0 0 "[ . 1 . 2]" 1
1923 2 44 ILE MG 2 45 PHE HA . . 4.250 3.349 3.091 3.577 . 0 0 "[ . 1 . 2]" 1
1924 2 44 ILE MG 2 45 PHE HB2 . . 5.170 4.639 4.490 4.945 . 0 0 "[ . 1 . 2]" 1
1925 2 44 ILE MG 2 45 PHE HB3 . . 4.930 4.439 4.318 4.713 . 0 0 "[ . 1 . 2]" 1
1926 2 44 ILE MG 2 46 ALA H . . 5.200 2.682 1.706 3.469 . 0 0 "[ . 1 . 2]" 1
1927 2 44 ILE MG 2 46 ALA HA . . 5.280 4.049 3.505 4.451 . 0 0 "[ . 1 . 2]" 1
1928 2 44 ILE MG 2 47 GLY H . . 3.450 1.828 1.672 2.040 . 0 0 "[ . 1 . 2]" 1
1929 2 44 ILE MG 2 47 GLY HA2 . . 4.630 2.010 1.891 2.224 . 0 0 "[ . 1 . 2]" 1
1930 2 44 ILE MG 2 47 GLY HA3 . . 4.470 3.333 3.247 3.496 . 0 0 "[ . 1 . 2]" 1
1931 2 44 ILE MG 2 48 LYS H . . 3.490 3.038 2.844 3.176 . 0 0 "[ . 1 . 2]" 1
1932 2 44 ILE MG 2 48 LYS HA . . 5.030 4.602 4.209 5.041 0.011 15 0 "[ . 1 . 2]" 1
1933 2 44 ILE MG 2 48 LYS QG . . 5.120 4.368 3.688 5.150 0.030 6 0 "[ . 1 . 2]" 1
1934 2 44 ILE MG 2 49 GLN H . . 5.060 3.253 2.729 4.171 . 0 0 "[ . 1 . 2]" 1
1935 2 44 ILE MG 2 49 GLN HA . . 4.400 3.034 2.509 3.333 . 0 0 "[ . 1 . 2]" 1
1936 2 44 ILE MG 2 49 GLN HG2 . . 3.760 2.735 2.440 3.004 . 0 0 "[ . 1 . 2]" 1
1937 2 44 ILE MG 2 50 LEU H . . 5.330 4.372 3.854 4.635 . 0 0 "[ . 1 . 2]" 1
1938 2 44 ILE MG 2 50 LEU QD . . 5.030 3.712 3.377 4.401 . 0 0 "[ . 1 . 2]" 1
1939 2 44 ILE MG 2 68 HIS HB2 . . 4.660 3.579 3.204 3.831 . 0 0 "[ . 1 . 2]" 1
1940 2 44 ILE MG 2 68 HIS HB3 . . 5.090 4.856 4.496 5.094 0.004 17 0 "[ . 1 . 2]" 1
1941 2 45 PHE H 2 47 GLY H . . 4.920 3.043 2.326 3.719 . 0 0 "[ . 1 . 2]" 1
1942 2 45 PHE H 2 48 LYS H . . 3.660 3.152 2.838 3.487 . 0 0 "[ . 1 . 2]" 1
1943 2 45 PHE H 2 48 LYS HA . . 5.500 5.213 4.720 5.539 0.039 9 0 "[ . 1 . 2]" 1
1944 2 45 PHE H 2 48 LYS QB . . 4.690 4.106 2.776 4.877 0.187 16 0 "[ . 1 . 2]" 1
1945 2 45 PHE H 2 48 LYS QG . . 4.760 3.637 2.751 4.937 0.177 6 0 "[ . 1 . 2]" 1
1946 2 45 PHE H 2 49 GLN HA . . 4.180 3.808 3.457 4.250 0.070 2 0 "[ . 1 . 2]" 1
1947 2 45 PHE H 2 50 LEU QD . . 3.520 2.782 2.169 3.531 0.011 2 0 "[ . 1 . 2]" 1
1948 2 45 PHE H 2 67 LEU QD . . 4.730 4.183 3.155 4.506 . 0 0 "[ . 1 . 2]" 1
1949 2 45 PHE HA 2 45 PHE HD1 . . 3.560 2.549 2.227 2.889 . 0 0 "[ . 1 . 2]" 1
1950 2 45 PHE HA 2 45 PHE HE1 . . 4.820 4.791 4.610 4.929 0.109 19 0 "[ . 1 . 2]" 1
1951 2 45 PHE HA 2 46 ALA H . . 3.060 2.623 2.188 3.264 0.204 2 0 "[ . 1 . 2]" 1
1952 2 45 PHE HA 2 46 ALA MB . . 4.250 4.160 4.001 4.339 0.089 9 0 "[ . 1 . 2]" 1
1953 2 45 PHE HA 2 47 GLY H . . 4.490 4.043 3.519 4.582 0.092 2 0 "[ . 1 . 2]" 1
1954 2 45 PHE HA 2 50 LEU QD . . 4.880 3.961 3.749 4.310 . 0 0 "[ . 1 . 2]" 1
1955 2 45 PHE HA 2 67 LEU QD . . 4.340 3.537 2.152 3.990 . 0 0 "[ . 1 . 2]" 1
1956 2 45 PHE HA 2 67 LEU HG . . 4.860 3.482 2.697 5.040 0.180 19 0 "[ . 1 . 2]" 1
1957 2 45 PHE HB2 2 46 ALA H . . 4.790 4.439 4.248 4.642 . 0 0 "[ . 1 . 2]" 1
1958 2 45 PHE HB2 2 50 LEU QD . . 3.620 2.558 2.232 3.031 . 0 0 "[ . 1 . 2]" 1
1959 2 45 PHE HB2 2 50 LEU HG . . 5.140 4.383 3.844 4.959 . 0 0 "[ . 1 . 2]" 1
1960 2 45 PHE HB2 2 61 ILE MD . . 4.110 2.727 2.413 2.932 . 0 0 "[ . 1 . 2]" 1
1961 2 45 PHE HB2 2 67 LEU QD . . 3.640 2.366 1.670 2.576 . 0 0 "[ . 1 . 2]" 1
1962 2 45 PHE HB2 2 67 LEU HG . . 4.310 2.640 2.219 3.472 . 0 0 "[ . 1 . 2]" 1
1963 2 45 PHE HB3 2 46 ALA MB . . 5.140 4.186 3.830 4.741 . 0 0 "[ . 1 . 2]" 1
1964 2 45 PHE HB3 2 50 LEU QD . . 3.410 2.342 2.080 2.605 . 0 0 "[ . 1 . 2]" 1
1965 2 45 PHE HB3 2 50 LEU HG . . 5.000 4.114 3.177 4.931 . 0 0 "[ . 1 . 2]" 1
1966 2 45 PHE HB3 2 61 ILE MD . . 4.190 3.034 2.468 3.579 . 0 0 "[ . 1 . 2]" 1
1967 2 45 PHE HB3 2 67 LEU QD . . 4.180 3.539 2.505 3.668 . 0 0 "[ . 1 . 2]" 1
1968 2 45 PHE HB3 2 67 LEU HG . . 4.750 4.304 3.940 4.705 . 0 0 "[ . 1 . 2]" 1
1969 2 45 PHE HD1 2 46 ALA H . . 5.500 4.572 3.586 5.306 . 0 0 "[ . 1 . 2]" 1
1970 2 45 PHE HD1 2 46 ALA MB . . 5.500 4.828 4.295 5.105 . 0 0 "[ . 1 . 2]" 1
1971 2 45 PHE HD1 2 50 LEU QD . . 4.810 4.652 4.413 4.858 0.048 19 0 "[ . 1 . 2]" 1
1972 2 45 PHE HD1 2 61 ILE MD . . 5.500 3.783 3.353 4.156 . 0 0 "[ . 1 . 2]" 1
1973 2 45 PHE HD1 2 67 LEU HA . . 4.230 2.990 2.683 3.240 . 0 0 "[ . 1 . 2]" 1
1974 2 45 PHE HD1 2 67 LEU QD . . 3.880 3.052 1.853 3.496 . 0 0 "[ . 1 . 2]" 1
1975 2 45 PHE HD1 2 67 LEU HG . . 4.580 2.604 2.148 4.711 0.131 19 0 "[ . 1 . 2]" 1
1976 2 45 PHE HE1 2 46 ALA MB . . 5.500 5.240 4.333 5.574 0.074 8 0 "[ . 1 . 2]" 1
1977 2 45 PHE HE1 2 61 ILE HA . . 4.810 4.778 4.571 4.875 0.065 13 0 "[ . 1 . 2]" 1
1978 2 45 PHE HE1 2 61 ILE MD . . 4.710 4.559 4.163 4.783 0.073 13 0 "[ . 1 . 2]" 1
1979 2 45 PHE HE1 2 61 ILE HG12 . . 4.940 3.724 3.514 3.927 . 0 0 "[ . 1 . 2]" 1
1980 2 45 PHE HE1 2 61 ILE HG13 . . 5.500 5.035 4.698 5.404 . 0 0 "[ . 1 . 2]" 1
1981 2 45 PHE HE1 2 61 ILE MG . . 4.810 4.758 4.320 4.857 0.047 8 0 "[ . 1 . 2]" 1
1982 2 45 PHE HE1 2 65 SER HA . . 5.070 4.088 3.684 4.407 . 0 0 "[ . 1 . 2]" 1
1983 2 45 PHE HE1 2 65 SER HB3 . . 4.460 2.681 2.076 4.214 . 0 0 "[ . 1 . 2]" 1
1984 2 45 PHE HE1 2 66 THR H . . 5.150 5.086 4.838 5.223 0.073 19 0 "[ . 1 . 2]" 1
1985 2 45 PHE HE1 2 67 LEU QD . . 4.840 3.976 3.368 4.339 . 0 0 "[ . 1 . 2]" 1
1986 2 46 ALA H 2 46 ALA HA . . 2.780 2.464 2.238 2.839 0.059 9 0 "[ . 1 . 2]" 1
1987 2 46 ALA H 2 46 ALA MB . . 3.100 2.941 2.822 3.164 0.064 10 0 "[ . 1 . 2]" 1
1988 2 46 ALA H 2 47 GLY H . . 3.600 2.247 1.751 2.790 . 0 0 "[ . 1 . 2]" 1
1989 2 46 ALA H 2 47 GLY HA2 . . 5.200 4.457 3.837 5.056 . 0 0 "[ . 1 . 2]" 1
1990 2 46 ALA H 2 47 GLY HA3 . . 5.120 4.874 4.304 5.339 0.219 11 0 "[ . 1 . 2]" 1
1991 2 46 ALA H 2 48 LYS H . . 5.010 3.569 2.328 4.476 . 0 0 "[ . 1 . 2]" 1
1992 2 46 ALA HA 2 47 GLY H . . 3.170 3.045 2.935 3.294 0.124 15 0 "[ . 1 . 2]" 1
1993 2 46 ALA HA 2 47 GLY HA3 . . 4.900 4.533 4.420 4.639 . 0 0 "[ . 1 . 2]" 1
1994 2 46 ALA HA 2 48 LYS H . . 4.670 4.226 3.874 4.694 0.024 15 0 "[ . 1 . 2]" 1
1995 2 46 ALA MB 2 47 GLY H . . 3.730 3.599 3.236 3.656 . 0 0 "[ . 1 . 2]" 1
1996 2 46 ALA MB 2 48 LYS H . . 4.160 3.012 2.647 3.444 . 0 0 "[ . 1 . 2]" 1
1997 2 46 ALA MB 2 48 LYS QB . . 4.560 3.074 2.573 3.874 . 0 0 "[ . 1 . 2]" 1
1998 2 46 ALA MB 2 48 LYS QE . . 4.540 4.156 3.245 4.561 0.021 11 0 "[ . 1 . 2]" 1
1999 2 46 ALA MB 2 48 LYS QG . . 4.560 3.478 2.135 4.640 0.080 19 0 "[ . 1 . 2]" 1
2000 2 46 ALA MB 2 50 LEU QD . . 5.420 4.843 4.490 5.144 . 0 0 "[ . 1 . 2]" 1
2001 2 47 GLY H 2 48 LYS H . . 3.490 2.559 1.928 2.652 . 0 0 "[ . 1 . 2]" 1
2002 2 47 GLY H 2 49 GLN HG2 . . 5.500 4.746 4.338 5.102 . 0 0 "[ . 1 . 2]" 1
2003 2 47 GLY HA2 2 49 GLN HG2 . . 4.250 3.150 2.946 3.517 . 0 0 "[ . 1 . 2]" 1
2004 2 48 LYS H 2 48 LYS QB . . 3.050 2.420 2.089 2.608 . 0 0 "[ . 1 . 2]" 1
2005 2 48 LYS H 2 48 LYS QD . . 4.820 4.327 3.820 4.827 0.007 19 0 "[ . 1 . 2]" 1
2006 2 48 LYS H 2 48 LYS QG . . 4.520 3.000 2.194 4.014 . 0 0 "[ . 1 . 2]" 1
2007 2 48 LYS H 2 49 GLN H . . 4.340 3.439 2.727 4.379 0.039 19 0 "[ . 1 . 2]" 1
2008 2 48 LYS H 2 49 GLN HA . . 5.080 4.710 4.437 5.123 0.043 2 0 "[ . 1 . 2]" 1
2009 2 48 LYS H 2 50 LEU QD . . 5.130 4.330 3.716 5.052 . 0 0 "[ . 1 . 2]" 1
2010 2 48 LYS HA 2 48 LYS QD . . 3.980 3.901 2.196 4.095 0.115 15 0 "[ . 1 . 2]" 1
2011 2 48 LYS HA 2 48 LYS QG . . 3.450 3.031 2.203 3.470 0.020 5 0 "[ . 1 . 2]" 1
2012 2 48 LYS HA 2 49 GLN H . . 2.600 2.579 2.195 2.814 0.214 1 0 "[ . 1 . 2]" 1
2013 2 48 LYS QB 2 48 LYS QE . . 4.360 3.031 1.995 3.716 . 0 0 "[ . 1 . 2]" 1
2014 2 48 LYS QB 2 50 LEU QD . . 4.050 3.584 2.608 4.090 0.040 1 0 "[ . 1 . 2]" 1
2015 2 48 LYS QD 2 49 GLN HA . . 5.120 5.133 4.333 5.232 0.112 10 0 "[ . 1 . 2]" 1
2016 2 48 LYS QD 2 50 LEU QD . . 3.740 2.114 1.787 2.843 . 0 0 "[ . 1 . 2]" 1
2017 2 48 LYS QD 2 59 TYR QD . . 4.380 3.214 2.489 4.000 . 0 0 "[ . 1 . 2]" 1
2018 2 48 LYS QD 2 59 TYR QE . . 4.400 3.942 3.082 4.421 0.021 5 0 "[ . 1 . 2]" 1
2019 2 48 LYS QE 2 48 LYS QG . . 3.380 2.441 2.070 2.893 . 0 0 "[ . 1 . 2]" 1
2020 2 48 LYS QE 2 50 LEU QD . . 5.040 2.642 1.938 3.877 . 0 0 "[ . 1 . 2]" 1
2021 2 48 LYS QE 2 50 LEU HG . . 5.220 4.719 4.005 5.308 0.088 2 0 "[ . 1 . 2]" 1
2022 2 48 LYS QE 2 59 TYR HA . . 3.960 3.239 2.443 3.975 0.015 2 0 "[ . 1 . 2]" 1
2023 2 48 LYS QE 2 59 TYR QD . . 4.610 2.506 1.978 2.992 . 0 0 "[ . 1 . 2]" 1
2024 2 48 LYS QE 2 59 TYR QE . . 4.840 4.148 3.186 4.783 . 0 0 "[ . 1 . 2]" 1
2025 2 48 LYS QG 2 49 GLN H . . 4.110 3.741 2.927 3.967 . 0 0 "[ . 1 . 2]" 1
2026 2 48 LYS QG 2 50 LEU QD . . 4.540 2.618 1.919 3.394 . 0 0 "[ . 1 . 2]" 1
2027 2 48 LYS QG 2 59 TYR QD . . 5.140 4.583 2.725 5.061 . 0 0 "[ . 1 . 2]" 1
2028 2 49 GLN H 2 49 GLN HB2 . . 3.170 2.998 2.706 3.243 0.073 5 0 "[ . 1 . 2]" 1
2029 2 49 GLN H 2 49 GLN HB3 . . 3.680 3.568 3.499 3.696 0.016 1 0 "[ . 1 . 2]" 1
2030 2 49 GLN H 2 49 GLN HE22 . . 5.180 5.495 5.281 5.828 0.648 2 3 "[ + . 1 - . *2]" 1
2031 2 49 GLN H 2 49 GLN HG2 . . 3.780 2.267 2.011 2.798 . 0 0 "[ . 1 . 2]" 1
2032 2 49 GLN H 2 49 GLN HG3 . . 3.750 2.045 1.840 2.272 . 0 0 "[ . 1 . 2]" 1
2033 2 49 GLN H 2 50 LEU H . . 4.990 4.298 3.913 4.547 . 0 0 "[ . 1 . 2]" 1
2034 2 49 GLN HA 2 49 GLN HG2 . . 4.020 2.638 2.446 2.725 . 0 0 "[ . 1 . 2]" 1
2035 2 49 GLN HA 2 49 GLN HG3 . . 3.960 3.512 3.370 3.582 . 0 0 "[ . 1 . 2]" 1
2036 2 49 GLN HA 2 50 LEU H . . 3.040 2.111 2.061 2.171 . 0 0 "[ . 1 . 2]" 1
2037 2 49 GLN HA 2 50 LEU HA . . 4.620 4.343 4.283 4.468 . 0 0 "[ . 1 . 2]" 1
2038 2 49 GLN HA 2 50 LEU QD . . 4.490 3.091 2.461 4.173 . 0 0 "[ . 1 . 2]" 1
2039 2 49 GLN HB2 2 49 GLN HE22 . . 4.710 4.900 4.813 4.977 0.267 2 0 "[ . 1 . 2]" 1
2040 2 49 GLN HB3 2 49 GLN HE22 . . 4.730 4.540 4.350 4.640 . 0 0 "[ . 1 . 2]" 1
2041 2 49 GLN HB3 2 50 LEU H . . 4.160 3.684 3.449 4.025 . 0 0 "[ . 1 . 2]" 1
2042 2 49 GLN HE21 2 70 VAL QG . . 5.090 4.821 4.804 4.837 . 0 0 "[ . 1 . 2]" 1
2043 2 49 GLN HE22 2 49 GLN HG2 . . 3.690 3.605 3.531 3.683 . 0 0 "[ . 1 . 2]" 1
2044 2 49 GLN HE22 2 49 GLN HG3 . . 3.650 3.720 3.617 3.878 0.228 17 0 "[ . 1 . 2]" 1
2045 2 49 GLN HE22 2 70 VAL QG . . 4.800 4.472 4.132 5.089 0.289 17 0 "[ . 1 . 2]" 1
2046 2 50 LEU H 2 50 LEU QD . . 3.530 2.064 1.561 2.914 . 0 0 "[ . 1 . 2]" 1
2047 2 50 LEU H 2 50 LEU HG . . 4.140 3.003 1.787 3.796 . 0 0 "[ . 1 . 2]" 1
2048 2 50 LEU H 2 67 LEU QD . . 5.070 5.037 4.849 5.120 0.050 11 0 "[ . 1 . 2]" 1
2049 2 50 LEU HA 2 50 LEU QD . . 3.110 2.180 2.032 2.945 . 0 0 "[ . 1 . 2]" 1
2050 2 50 LEU HA 2 50 LEU HG . . 4.090 3.385 2.375 3.813 . 0 0 "[ . 1 . 2]" 1
2051 2 50 LEU HA 2 51 GLU H . . 3.210 2.349 2.130 2.593 . 0 0 "[ . 1 . 2]" 1
2052 2 50 LEU HA 2 51 GLU HB2 . . 4.830 4.553 4.391 4.726 . 0 0 "[ . 1 . 2]" 1
2053 2 50 LEU HA 2 51 GLU HG2 . . 4.790 4.169 3.286 5.017 0.227 14 0 "[ . 1 . 2]" 1
2054 2 50 LEU HA 2 51 GLU HG3 . . 4.980 4.110 3.148 5.090 0.110 7 0 "[ . 1 . 2]" 1
2055 2 50 LEU HA 2 59 TYR QE . . 4.350 3.619 3.069 3.910 . 0 0 "[ . 1 . 2]" 1
2056 2 50 LEU HB3 2 51 GLU H . . 4.830 2.404 1.943 3.117 . 0 0 "[ . 1 . 2]" 1
2057 2 50 LEU HB3 2 59 TYR QE . . 5.290 3.255 2.267 3.615 . 0 0 "[ . 1 . 2]" 1
2058 2 50 LEU QD 2 51 GLU H . . 3.840 3.439 3.251 3.855 0.015 17 0 "[ . 1 . 2]" 1
2059 2 50 LEU QD 2 59 TYR HA . . 5.170 4.886 4.637 5.241 0.071 15 0 "[ . 1 . 2]" 1
2060 2 50 LEU QD 2 59 TYR HB2 . . 4.570 3.807 3.200 4.165 . 0 0 "[ . 1 . 2]" 1
2061 2 50 LEU QD 2 59 TYR HB3 . . 4.590 3.378 3.040 3.810 . 0 0 "[ . 1 . 2]" 1
2062 2 50 LEU QD 2 59 TYR QD . . 3.830 2.677 2.030 3.094 . 0 0 "[ . 1 . 2]" 1
2063 2 50 LEU QD 2 59 TYR QE . . 3.910 2.560 2.119 2.855 . 0 0 "[ . 1 . 2]" 1
2064 2 50 LEU QD 2 67 LEU QD . . 4.460 2.260 1.866 2.567 . 0 0 "[ . 1 . 2]" 1
2065 2 51 GLU H 2 51 GLU HB2 . . 3.810 2.420 2.295 2.713 . 0 0 "[ . 1 . 2]" 1
2066 2 51 GLU H 2 51 GLU HG2 . . 3.680 3.153 2.229 3.893 0.213 10 0 "[ . 1 . 2]" 1
2067 2 51 GLU H 2 51 GLU HG3 . . 3.720 3.017 2.079 3.779 0.059 1 0 "[ . 1 . 2]" 1
2068 2 51 GLU H 2 52 ASP H . . 4.770 4.245 3.987 4.438 . 0 0 "[ . 1 . 2]" 1
2069 2 51 GLU H 2 54 ARG H . . 5.310 4.986 4.461 5.365 0.055 1 0 "[ . 1 . 2]" 1
2070 2 51 GLU H 2 54 ARG HG3 . . 4.780 3.595 3.144 3.886 . 0 0 "[ . 1 . 2]" 1
2071 2 51 GLU H 2 59 TYR QE . . 4.410 3.160 2.682 3.477 . 0 0 "[ . 1 . 2]" 1
2072 2 51 GLU HA 2 51 GLU HG2 . . 3.570 2.685 2.257 3.654 0.084 14 0 "[ . 1 . 2]" 1
2073 2 51 GLU HA 2 51 GLU HG3 . . 3.600 3.251 2.422 3.701 0.101 15 0 "[ . 1 . 2]" 1
2074 2 51 GLU HA 2 52 ASP H . . 2.840 2.773 1.973 2.965 0.125 11 0 "[ . 1 . 2]" 1
2075 2 51 GLU HA 2 52 ASP HB3 . . 4.880 4.625 4.145 5.221 0.341 10 0 "[ . 1 . 2]" 1
2076 2 51 GLU HB2 2 52 ASP H . . 4.310 2.837 2.319 3.676 . 0 0 "[ . 1 . 2]" 1
2077 2 51 GLU HB2 2 54 ARG H . . 4.340 3.603 2.852 4.377 0.037 11 0 "[ . 1 . 2]" 1
2078 2 51 GLU HB2 2 54 ARG HD2 . . 5.020 4.984 4.842 5.100 0.080 13 0 "[ . 1 . 2]" 1
2079 2 51 GLU HB2 2 54 ARG HE . . 5.060 4.988 4.461 5.103 0.043 14 0 "[ . 1 . 2]" 1
2080 2 51 GLU HB2 2 59 TYR QE . . 4.540 4.039 3.465 4.469 . 0 0 "[ . 1 . 2]" 1
2081 2 51 GLU HB3 2 52 ASP H . . 3.800 1.852 1.710 2.417 . 0 0 "[ . 1 . 2]" 1
2082 2 51 GLU HB3 2 54 ARG HG2 . . 5.010 3.376 2.936 4.075 . 0 0 "[ . 1 . 2]" 1
2083 2 51 GLU HG2 2 52 ASP H . . 4.470 4.163 3.535 4.545 0.075 16 0 "[ . 1 . 2]" 1
2084 2 51 GLU HG3 2 52 ASP H . . 4.190 4.337 4.052 4.534 0.344 3 0 "[ . 1 . 2]" 1
2085 2 51 GLU HG3 2 54 ARG HG2 . . 5.190 3.939 2.723 4.930 . 0 0 "[ . 1 . 2]" 1
2086 2 52 ASP H 2 52 ASP HB2 . . 3.660 3.403 2.418 3.846 0.186 20 0 "[ . 1 . 2]" 1
2087 2 52 ASP H 2 52 ASP HB3 . . 3.790 3.110 2.599 3.533 . 0 0 "[ . 1 . 2]" 1
2088 2 52 ASP H 2 54 ARG H . . 5.150 3.935 3.374 4.748 . 0 0 "[ . 1 . 2]" 1
2089 2 52 ASP HA 2 53 GLY HA3 . . 4.860 5.014 4.542 5.104 0.244 3 0 "[ . 1 . 2]" 1
2090 2 52 ASP HA 2 54 ARG H . . 4.460 3.892 3.144 4.159 . 0 0 "[ . 1 . 2]" 1
2091 2 54 ARG H 2 54 ARG HB3 . . 3.880 3.542 3.445 3.664 . 0 0 "[ . 1 . 2]" 1
2092 2 54 ARG H 2 54 ARG HD2 . . 4.620 4.604 4.300 4.670 0.050 17 0 "[ . 1 . 2]" 1
2093 2 54 ARG H 2 54 ARG HD3 . . 4.840 4.308 3.975 4.536 . 0 0 "[ . 1 . 2]" 1
2094 2 54 ARG H 2 54 ARG HG2 . . 3.750 2.796 2.248 2.959 . 0 0 "[ . 1 . 2]" 1
2095 2 54 ARG H 2 54 ARG HG3 . . 3.840 3.857 3.434 3.983 0.143 13 0 "[ . 1 . 2]" 1
2096 2 54 ARG H 2 55 THR H . . 4.470 4.344 4.269 4.459 . 0 0 "[ . 1 . 2]" 1
2097 2 54 ARG H 2 59 TYR QE . . 5.340 5.080 4.682 5.291 . 0 0 "[ . 1 . 2]" 1
2098 2 54 ARG HA 2 54 ARG HD2 . . 3.720 2.455 2.224 2.555 . 0 0 "[ . 1 . 2]" 1
2099 2 54 ARG HA 2 54 ARG HD3 . . 3.730 2.437 2.231 2.747 . 0 0 "[ . 1 . 2]" 1
2100 2 54 ARG HA 2 54 ARG HE . . 4.680 4.626 4.525 4.697 0.017 1 0 "[ . 1 . 2]" 1
2101 2 54 ARG HA 2 54 ARG HG2 . . 3.590 2.930 2.873 2.996 . 0 0 "[ . 1 . 2]" 1
2102 2 54 ARG HA 2 54 ARG HG3 . . 3.800 3.729 3.691 3.765 . 0 0 "[ . 1 . 2]" 1
2103 2 54 ARG HA 2 55 THR H . . 3.360 2.767 2.522 2.886 . 0 0 "[ . 1 . 2]" 1
2104 2 54 ARG HA 2 55 THR MG . . 4.570 3.499 3.383 3.765 . 0 0 "[ . 1 . 2]" 1
2105 2 54 ARG HA 2 58 ASP HB2 . . 4.590 4.150 3.647 4.289 . 0 0 "[ . 1 . 2]" 1
2106 2 54 ARG HB2 2 54 ARG HD2 . . 4.220 3.496 3.435 3.549 . 0 0 "[ . 1 . 2]" 1
2107 2 54 ARG HB2 2 54 ARG HD3 . . 3.990 3.959 3.897 4.069 0.079 13 0 "[ . 1 . 2]" 1
2108 2 54 ARG HB2 2 55 THR H . . 4.170 3.176 3.079 3.248 . 0 0 "[ . 1 . 2]" 1
2109 2 54 ARG HB2 2 55 THR MG . . 5.000 5.017 4.966 5.063 0.063 2 0 "[ . 1 . 2]" 1
2110 2 54 ARG HB2 2 58 ASP HB3 . . 4.560 4.340 4.195 4.597 0.037 13 0 "[ . 1 . 2]" 1
2111 2 54 ARG HB2 2 59 TYR QE . . 4.530 3.181 2.506 3.476 . 0 0 "[ . 1 . 2]" 1
2112 2 54 ARG HB3 2 55 THR H . . 3.980 1.880 1.789 1.983 . 0 0 "[ . 1 . 2]" 1
2113 2 54 ARG HB3 2 59 TYR QE . . 4.230 3.105 2.729 3.637 . 0 0 "[ . 1 . 2]" 1
2114 2 54 ARG HD2 2 55 THR H . . 4.390 3.081 2.948 3.154 . 0 0 "[ . 1 . 2]" 1
2115 2 54 ARG HD2 2 59 TYR QE . . 5.110 4.280 3.855 4.553 . 0 0 "[ . 1 . 2]" 1
2116 2 54 ARG HD3 2 55 THR H . . 4.380 4.371 4.235 4.469 0.089 13 0 "[ . 1 . 2]" 1
2117 2 54 ARG HE 2 55 THR H . . 4.970 4.991 4.665 5.052 0.082 10 0 "[ . 1 . 2]" 1
2118 2 54 ARG HE 2 58 ASP HB2 . . 5.100 4.695 3.681 5.120 0.020 11 0 "[ . 1 . 2]" 1
2119 2 54 ARG HE 2 59 TYR QD . . 5.460 4.766 3.544 5.336 . 0 0 "[ . 1 . 2]" 1
2120 2 54 ARG HG2 2 55 THR H . . 4.580 4.599 4.558 4.633 0.053 3 0 "[ . 1 . 2]" 1
2121 2 54 ARG HG2 2 59 TYR QE . . 4.650 4.402 4.260 4.495 . 0 0 "[ . 1 . 2]" 1
2122 2 54 ARG HG3 2 55 THR H . . 4.480 4.311 4.190 4.449 . 0 0 "[ . 1 . 2]" 1
2123 2 54 ARG HG3 2 59 TYR QE . . 4.470 2.897 2.676 3.251 . 0 0 "[ . 1 . 2]" 1
2124 2 55 THR H 2 55 THR HB . . 3.850 3.864 3.801 3.893 0.043 10 0 "[ . 1 . 2]" 1
2125 2 55 THR H 2 55 THR MG . . 3.770 3.184 2.950 3.312 . 0 0 "[ . 1 . 2]" 1
2126 2 55 THR H 2 58 ASP H . . 4.120 3.329 3.117 3.395 . 0 0 "[ . 1 . 2]" 1
2127 2 55 THR H 2 58 ASP HA . . 4.720 4.768 4.571 4.814 0.094 11 0 "[ . 1 . 2]" 1
2128 2 55 THR H 2 58 ASP HB2 . . 3.870 2.420 1.809 2.632 . 0 0 "[ . 1 . 2]" 1
2129 2 55 THR H 2 58 ASP HB3 . . 3.770 2.385 2.142 3.238 . 0 0 "[ . 1 . 2]" 1
2130 2 55 THR H 2 59 TYR H . . 5.350 4.909 4.600 5.099 . 0 0 "[ . 1 . 2]" 1
2131 2 55 THR H 2 59 TYR QD . . 5.500 4.924 4.478 5.057 . 0 0 "[ . 1 . 2]" 1
2132 2 55 THR H 2 59 TYR QE . . 5.300 4.092 3.814 5.006 . 0 0 "[ . 1 . 2]" 1
2133 2 55 THR HA 2 55 THR MG . . 3.170 2.295 2.188 2.357 . 0 0 "[ . 1 . 2]" 1
2134 2 55 THR HA 2 56 LEU H . . 3.520 2.417 2.359 2.587 . 0 0 "[ . 1 . 2]" 1
2135 2 55 THR HA 2 56 LEU QD . . 5.050 3.537 2.878 4.280 . 0 0 "[ . 1 . 2]" 1
2136 2 55 THR HA 2 57 SER H . . 4.580 4.282 4.205 4.385 . 0 0 "[ . 1 . 2]" 1
2137 2 55 THR HA 2 58 ASP H . . 5.080 4.432 4.389 4.478 . 0 0 "[ . 1 . 2]" 1
2138 2 55 THR HB 2 56 LEU H . . 3.760 2.389 2.113 2.465 . 0 0 "[ . 1 . 2]" 1
2139 2 55 THR HB 2 57 SER H . . 3.700 2.692 2.557 2.796 . 0 0 "[ . 1 . 2]" 1
2140 2 55 THR HB 2 57 SER HB2 . . 4.640 3.976 3.876 4.230 . 0 0 "[ . 1 . 2]" 1
2141 2 55 THR HB 2 57 SER HB3 . . 4.600 3.561 3.368 3.695 . 0 0 "[ . 1 . 2]" 1
2142 2 55 THR HB 2 58 ASP H . . 3.530 3.528 3.351 3.591 0.061 13 0 "[ . 1 . 2]" 1
2143 2 55 THR MG 2 56 LEU H . . 3.610 3.595 3.381 3.636 0.026 1 0 "[ . 1 . 2]" 1
2144 2 55 THR MG 2 57 SER H . . 4.370 4.296 4.166 4.393 0.023 3 0 "[ . 1 . 2]" 1
2145 2 55 THR MG 2 57 SER HB2 . . 4.920 4.991 4.978 5.008 0.088 10 0 "[ . 1 . 2]" 1
2146 2 55 THR MG 2 58 ASP H . . 4.640 4.345 4.114 4.579 . 0 0 "[ . 1 . 2]" 1
2147 2 56 LEU H 2 56 LEU QD . . 3.600 2.455 1.770 3.086 . 0 0 "[ . 1 . 2]" 1
2148 2 56 LEU H 2 56 LEU HG . . 3.830 2.792 1.999 3.640 . 0 0 "[ . 1 . 2]" 1
2149 2 56 LEU H 2 57 SER H . . 4.020 2.609 2.477 2.664 . 0 0 "[ . 1 . 2]" 1
2150 2 56 LEU H 2 57 SER HB2 . . 5.250 4.728 4.578 4.840 . 0 0 "[ . 1 . 2]" 1
2151 2 56 LEU H 2 58 ASP H . . 4.410 4.037 3.944 4.110 . 0 0 "[ . 1 . 2]" 1
2152 2 56 LEU H 2 61 ILE MG . . 5.500 5.341 5.134 5.479 . 0 0 "[ . 1 . 2]" 1
2153 2 56 LEU HA 2 56 LEU QD . . 3.120 2.028 1.959 2.120 . 0 0 "[ . 1 . 2]" 1
2154 2 56 LEU HA 2 58 ASP H . . 4.490 4.072 3.899 4.262 . 0 0 "[ . 1 . 2]" 1
2155 2 56 LEU HA 2 59 TYR H . . 4.190 3.670 3.438 3.822 . 0 0 "[ . 1 . 2]" 1
2156 2 56 LEU HA 2 61 ILE H . . 4.720 4.185 3.900 4.367 . 0 0 "[ . 1 . 2]" 1
2157 2 56 LEU HA 2 61 ILE HB . . 4.290 2.943 2.616 3.111 . 0 0 "[ . 1 . 2]" 1
2158 2 56 LEU HA 2 61 ILE MD . . 3.550 3.105 2.749 3.399 . 0 0 "[ . 1 . 2]" 1
2159 2 56 LEU HA 2 61 ILE HG13 . . 4.890 4.791 4.351 4.965 0.075 17 0 "[ . 1 . 2]" 1
2160 2 56 LEU HB2 2 57 SER H . . 4.100 2.651 2.442 2.878 . 0 0 "[ . 1 . 2]" 1
2161 2 56 LEU HB2 2 61 ILE HB . . 4.450 4.325 3.860 4.506 0.056 5 0 "[ . 1 . 2]" 1
2162 2 56 LEU HB2 2 61 ILE MG . . 4.440 3.925 3.547 4.171 . 0 0 "[ . 1 . 2]" 1
2163 2 56 LEU HB3 2 57 SER H . . 4.510 3.660 3.427 3.941 . 0 0 "[ . 1 . 2]" 1
2164 2 56 LEU HB3 2 61 ILE HB . . 4.650 2.759 2.323 2.951 . 0 0 "[ . 1 . 2]" 1
2165 2 56 LEU HB3 2 61 ILE MG . . 4.960 2.442 2.128 2.658 . 0 0 "[ . 1 . 2]" 1
2166 2 56 LEU QD 2 57 SER H . . 4.490 3.922 3.609 4.184 . 0 0 "[ . 1 . 2]" 1
2167 2 56 LEU QD 2 61 ILE H . . 4.650 4.608 4.502 4.672 0.022 2 0 "[ . 1 . 2]" 1
2168 2 56 LEU QD 2 61 ILE HA . . 5.000 5.002 4.934 5.039 0.039 5 0 "[ . 1 . 2]" 1
2169 2 56 LEU QD 2 61 ILE HB . . 4.230 3.031 2.965 3.068 . 0 0 "[ . 1 . 2]" 1
2170 2 56 LEU QD 2 61 ILE MD . . 3.040 2.591 2.220 2.833 . 0 0 "[ . 1 . 2]" 1
2171 2 56 LEU QD 2 61 ILE HG12 . . 5.110 4.422 4.256 4.591 . 0 0 "[ . 1 . 2]" 1
2172 2 56 LEU QD 2 61 ILE HG13 . . 5.500 4.502 4.269 4.658 . 0 0 "[ . 1 . 2]" 1
2173 2 56 LEU QD 2 61 ILE MG . . 3.160 1.990 1.929 2.101 . 0 0 "[ . 1 . 2]" 1
2174 2 56 LEU HG 2 57 SER H . . 4.680 4.507 4.106 4.789 0.109 8 0 "[ . 1 . 2]" 1
2175 2 56 LEU HG 2 61 ILE MG . . 5.260 4.125 3.744 4.479 . 0 0 "[ . 1 . 2]" 1
2176 2 57 SER H 2 57 SER HB2 . . 3.220 2.324 2.250 2.431 . 0 0 "[ . 1 . 2]" 1
2177 2 57 SER H 2 57 SER HB3 . . 3.170 2.606 2.488 2.718 . 0 0 "[ . 1 . 2]" 1
2178 2 57 SER H 2 58 ASP H . . 3.570 2.675 2.577 2.757 . 0 0 "[ . 1 . 2]" 1
2179 2 57 SER H 2 58 ASP HB2 . . 5.260 4.861 4.718 4.987 . 0 0 "[ . 1 . 2]" 1
2180 2 57 SER H 2 59 TYR H . . 4.620 4.202 4.044 4.276 . 0 0 "[ . 1 . 2]" 1
2181 2 57 SER H 2 61 ILE H . . 5.500 5.151 4.764 5.247 . 0 0 "[ . 1 . 2]" 1
2182 2 57 SER H 2 61 ILE HB . . 5.270 5.067 4.909 5.196 . 0 0 "[ . 1 . 2]" 1
2183 2 57 SER H 2 61 ILE MG . . 5.330 5.415 5.386 5.446 0.116 6 0 "[ . 1 . 2]" 1
2184 2 57 SER HA 2 59 TYR H . . 4.340 3.759 3.618 3.927 . 0 0 "[ . 1 . 2]" 1
2185 2 57 SER HA 2 60 ASN H . . 3.560 3.338 3.145 3.448 . 0 0 "[ . 1 . 2]" 1
2186 2 57 SER HA 2 61 ILE H . . 3.810 3.774 3.365 3.890 0.080 2 0 "[ . 1 . 2]" 1
2187 2 57 SER HB2 2 58 ASP H . . 3.920 3.867 3.778 3.943 0.023 4 0 "[ . 1 . 2]" 1
2188 2 57 SER HB3 2 58 ASP H . . 3.860 2.750 2.665 2.921 . 0 0 "[ . 1 . 2]" 1
2189 2 58 ASP H 2 58 ASP HB2 . . 3.650 2.402 2.349 2.466 . 0 0 "[ . 1 . 2]" 1
2190 2 58 ASP H 2 58 ASP HB3 . . 3.590 2.707 2.620 3.584 . 0 0 "[ . 1 . 2]" 1
2191 2 58 ASP H 2 59 TYR H . . 3.240 2.735 2.680 2.816 . 0 0 "[ . 1 . 2]" 1
2192 2 58 ASP HB2 2 59 TYR H . . 4.140 4.142 3.518 4.199 0.059 8 0 "[ . 1 . 2]" 1
2193 2 58 ASP HB3 2 59 TYR H . . 4.220 3.280 3.050 4.143 . 0 0 "[ . 1 . 2]" 1
2194 2 58 ASP HB3 2 59 TYR HA . . 4.830 4.601 4.509 4.731 . 0 0 "[ . 1 . 2]" 1
2195 2 59 TYR H 2 59 TYR HB2 . . 3.770 2.780 2.421 3.211 . 0 0 "[ . 1 . 2]" 1
2196 2 59 TYR H 2 59 TYR HB3 . . 3.660 3.710 3.636 3.779 0.119 13 0 "[ . 1 . 2]" 1
2197 2 59 TYR H 2 60 ASN H . . 3.170 2.308 2.131 2.503 . 0 0 "[ . 1 . 2]" 1
2198 2 59 TYR H 2 60 ASN HA . . 4.720 4.241 4.053 4.422 . 0 0 "[ . 1 . 2]" 1
2199 2 59 TYR H 2 61 ILE HB . . 4.740 3.974 3.889 4.047 . 0 0 "[ . 1 . 2]" 1
2200 2 59 TYR H 2 61 ILE MD . . 4.230 4.299 4.189 4.341 0.111 2 0 "[ . 1 . 2]" 1
2201 2 59 TYR H 2 61 ILE HG13 . . 5.460 4.528 4.209 4.668 . 0 0 "[ . 1 . 2]" 1
2202 2 59 TYR H 2 61 ILE MG . . 5.330 5.353 5.264 5.401 0.071 11 0 "[ . 1 . 2]" 1
2203 2 59 TYR HA 2 59 TYR QD . . 4.350 2.764 1.943 3.351 . 0 0 "[ . 1 . 2]" 1
2204 2 59 TYR HA 2 60 ASN HB2 . . 4.890 4.572 4.356 4.763 . 0 0 "[ . 1 . 2]" 1
2205 2 59 TYR HB2 2 60 ASN H . . 5.270 3.851 3.690 4.086 . 0 0 "[ . 1 . 2]" 1
2206 2 59 TYR HB2 2 61 ILE H . . 4.580 2.846 2.314 3.779 . 0 0 "[ . 1 . 2]" 1
2207 2 59 TYR HB2 2 61 ILE MD . . 3.780 2.428 2.280 2.878 . 0 0 "[ . 1 . 2]" 1
2208 2 59 TYR HB2 2 61 ILE HG13 . . 4.620 2.249 2.039 2.996 . 0 0 "[ . 1 . 2]" 1
2209 2 59 TYR HB3 2 60 ASN H . . 4.570 4.540 4.343 4.630 0.060 2 0 "[ . 1 . 2]" 1
2210 2 59 TYR HB3 2 61 ILE H . . 4.480 4.197 3.729 4.533 0.053 2 0 "[ . 1 . 2]" 1
2211 2 59 TYR HB3 2 61 ILE MD . . 3.970 3.221 2.545 4.000 0.030 2 0 "[ . 1 . 2]" 1
2212 2 59 TYR HB3 2 61 ILE HG13 . . 4.970 3.135 2.567 3.805 . 0 0 "[ . 1 . 2]" 1
2213 2 59 TYR QD 2 61 ILE MD . . 5.170 2.079 1.923 2.658 . 0 0 "[ . 1 . 2]" 1
2214 2 60 ASN H 2 60 ASN HB2 . . 3.510 2.938 2.884 3.033 . 0 0 "[ . 1 . 2]" 1
2215 2 60 ASN H 2 60 ASN HB3 . . 3.560 3.604 3.541 3.629 0.069 16 0 "[ . 1 . 2]" 1
2216 2 60 ASN H 2 61 ILE H . . 3.510 2.789 2.727 2.966 . 0 0 "[ . 1 . 2]" 1
2217 2 60 ASN H 2 61 ILE HB . . 4.680 4.663 4.585 4.703 0.023 2 0 "[ . 1 . 2]" 1
2218 2 60 ASN H 2 61 ILE MD . . 5.500 5.396 5.197 5.485 . 0 0 "[ . 1 . 2]" 1
2219 2 60 ASN H 2 61 ILE HG13 . . 5.080 4.861 4.583 4.997 . 0 0 "[ . 1 . 2]" 1
2220 2 60 ASN H 2 62 GLN HE22 . . 5.500 5.555 5.494 5.611 0.111 2 0 "[ . 1 . 2]" 1
2221 2 60 ASN HA 2 60 ASN HD21 . . 4.800 4.131 2.601 4.445 . 0 0 "[ . 1 . 2]" 1
2222 2 60 ASN HA 2 60 ASN HD22 . . 5.340 4.459 3.743 4.646 . 0 0 "[ . 1 . 2]" 1
2223 2 60 ASN HA 2 61 ILE H . . 3.450 2.946 2.508 3.210 . 0 0 "[ . 1 . 2]" 1
2224 2 60 ASN HA 2 62 GLN HE21 . . 4.120 3.442 3.157 4.180 0.060 2 0 "[ . 1 . 2]" 1
2225 2 60 ASN HA 2 62 GLN HE22 . . 4.650 3.450 3.341 4.723 0.073 2 0 "[ . 1 . 2]" 1
2226 2 60 ASN HB2 2 60 ASN HD22 . . 4.090 3.936 3.521 4.019 . 0 0 "[ . 1 . 2]" 1
2227 2 60 ASN HB2 2 61 ILE H . . 4.490 4.539 4.447 4.587 0.097 11 0 "[ . 1 . 2]" 1
2228 2 60 ASN HB2 2 62 GLN HE21 . . 5.010 4.728 4.448 5.047 0.037 11 0 "[ . 1 . 2]" 1
2229 2 60 ASN HB3 2 60 ASN HD21 . . 3.300 2.337 2.191 3.491 0.191 5 0 "[ . 1 . 2]" 1
2230 2 60 ASN HB3 2 60 ASN HD22 . . 3.730 3.576 3.512 4.053 0.323 5 0 "[ . 1 . 2]" 1
2231 2 60 ASN HD21 2 62 GLN HE22 . . 4.740 4.518 2.999 4.794 0.054 16 0 "[ . 1 . 2]" 1
2232 2 60 ASN HD22 2 62 GLN HE21 . . 4.340 3.328 2.966 3.698 . 0 0 "[ . 1 . 2]" 1
2233 2 60 ASN HD22 2 62 GLN HG2 . . 5.500 4.833 4.542 5.545 0.045 11 0 "[ . 1 . 2]" 1
2234 2 60 ASN HD22 2 62 GLN HG3 . . 5.500 5.111 4.183 5.528 0.028 5 0 "[ . 1 . 2]" 1
2235 2 61 ILE H 2 61 ILE HB . . 3.470 2.146 2.082 2.271 . 0 0 "[ . 1 . 2]" 1
2236 2 61 ILE H 2 61 ILE HG12 . . 4.140 3.916 3.665 4.172 0.032 11 0 "[ . 1 . 2]" 1
2237 2 61 ILE H 2 61 ILE HG13 . . 3.960 2.719 2.423 3.104 . 0 0 "[ . 1 . 2]" 1
2238 2 61 ILE H 2 61 ILE MG . . 3.790 3.595 3.527 3.668 . 0 0 "[ . 1 . 2]" 1
2239 2 61 ILE HA 2 61 ILE MD . . 4.200 3.723 3.670 3.767 . 0 0 "[ . 1 . 2]" 1
2240 2 61 ILE HA 2 61 ILE HG12 . . 3.880 2.333 2.239 2.383 . 0 0 "[ . 1 . 2]" 1
2241 2 61 ILE HA 2 61 ILE HG13 . . 4.160 2.589 2.515 2.704 . 0 0 "[ . 1 . 2]" 1
2242 2 61 ILE HA 2 61 ILE MG . . 3.390 2.673 2.612 2.728 . 0 0 "[ . 1 . 2]" 1
2243 2 61 ILE HA 2 62 GLN H . . 2.940 2.146 2.019 2.219 . 0 0 "[ . 1 . 2]" 1
2244 2 61 ILE HA 2 62 GLN HA . . 4.840 4.433 4.334 4.455 . 0 0 "[ . 1 . 2]" 1
2245 2 61 ILE HA 2 62 GLN HB2 . . 4.780 4.650 4.495 4.738 . 0 0 "[ . 1 . 2]" 1
2246 2 61 ILE HA 2 62 GLN HE21 . . 4.040 3.902 3.547 4.060 0.020 11 0 "[ . 1 . 2]" 1
2247 2 61 ILE HB 2 61 ILE MD . . 3.620 2.374 2.340 2.400 . 0 0 "[ . 1 . 2]" 1
2248 2 61 ILE HB 2 62 GLN H . . 5.020 4.447 4.321 4.518 . 0 0 "[ . 1 . 2]" 1
2249 2 61 ILE HB 2 67 LEU QD . . 4.710 4.418 4.188 4.724 0.014 1 0 "[ . 1 . 2]" 1
2250 2 61 ILE MD 2 67 LEU QD . . 3.020 2.042 1.855 2.382 . 0 0 "[ . 1 . 2]" 1
2251 2 61 ILE MD 2 67 LEU HG . . 4.600 3.374 3.058 3.810 . 0 0 "[ . 1 . 2]" 1
2252 2 61 ILE HG12 2 61 ILE MG . . 3.710 2.405 2.379 2.454 . 0 0 "[ . 1 . 2]" 1
2253 2 61 ILE HG12 2 62 GLN H . . 5.110 3.861 3.616 4.096 . 0 0 "[ . 1 . 2]" 1
2254 2 61 ILE HG12 2 67 LEU QD . . 4.630 3.230 2.608 3.735 . 0 0 "[ . 1 . 2]" 1
2255 2 61 ILE HG13 2 62 GLN H . . 4.900 4.651 4.496 4.817 . 0 0 "[ . 1 . 2]" 1
2256 2 61 ILE MG 2 62 GLN H . . 3.450 2.845 2.584 3.096 . 0 0 "[ . 1 . 2]" 1
2257 2 61 ILE MG 2 62 GLN HA . . 4.910 3.725 3.586 4.035 . 0 0 "[ . 1 . 2]" 1
2258 2 61 ILE MG 2 65 SER H . . 4.440 3.879 3.534 4.174 . 0 0 "[ . 1 . 2]" 1
2259 2 61 ILE MG 2 65 SER HB2 . . 3.640 2.579 2.106 3.509 . 0 0 "[ . 1 . 2]" 1
2260 2 61 ILE MG 2 65 SER HB3 . . 3.880 3.319 2.262 3.765 . 0 0 "[ . 1 . 2]" 1
2261 2 61 ILE MG 2 66 THR H . . 4.990 4.829 4.522 5.010 0.020 2 0 "[ . 1 . 2]" 1
2262 2 61 ILE MG 2 67 LEU QD . . 3.480 2.614 2.416 3.060 . 0 0 "[ . 1 . 2]" 1
2263 2 62 GLN H 2 62 GLN HB2 . . 3.730 2.552 2.464 2.593 . 0 0 "[ . 1 . 2]" 1
2264 2 62 GLN H 2 62 GLN HB3 . . 3.670 3.646 3.582 3.680 0.010 6 0 "[ . 1 . 2]" 1
2265 2 62 GLN H 2 62 GLN HE21 . . 3.980 3.657 3.327 3.896 . 0 0 "[ . 1 . 2]" 1
2266 2 62 GLN H 2 62 GLN HG2 . . 3.700 2.418 2.193 3.830 0.130 11 0 "[ . 1 . 2]" 1
2267 2 62 GLN H 2 62 GLN HG3 . . 3.580 3.678 3.236 3.753 0.173 7 0 "[ . 1 . 2]" 1
2268 2 62 GLN H 2 63 LYS H . . 4.470 4.418 4.344 4.511 0.041 16 0 "[ . 1 . 2]" 1
2269 2 62 GLN H 2 65 SER HB2 . . 4.650 2.878 2.359 3.247 . 0 0 "[ . 1 . 2]" 1
2270 2 62 GLN H 2 65 SER HB3 . . 4.760 3.001 1.761 3.540 . 0 0 "[ . 1 . 2]" 1
2271 2 62 GLN H 2 67 LEU QD . . 5.430 5.199 4.888 5.425 . 0 0 "[ . 1 . 2]" 1
2272 2 62 GLN HA 2 62 GLN HE21 . . 4.640 3.903 3.732 4.007 . 0 0 "[ . 1 . 2]" 1
2273 2 62 GLN HA 2 62 GLN HE22 . . 4.940 4.045 3.785 4.925 . 0 0 "[ . 1 . 2]" 1
2274 2 62 GLN HA 2 62 GLN HG2 . . 3.780 3.281 3.161 3.710 . 0 0 "[ . 1 . 2]" 1
2275 2 62 GLN HA 2 62 GLN HG3 . . 3.630 3.626 2.502 3.771 0.141 13 0 "[ . 1 . 2]" 1
2276 2 62 GLN HA 2 63 LYS H . . 3.000 2.692 2.520 2.815 . 0 0 "[ . 1 . 2]" 1
2277 2 62 GLN HA 2 63 LYS HA . . 4.680 4.296 4.187 4.378 . 0 0 "[ . 1 . 2]" 1
2278 2 62 GLN HA 2 63 LYS QG . . 4.970 4.487 4.121 4.646 . 0 0 "[ . 1 . 2]" 1
2279 2 62 GLN HA 2 65 SER H . . 5.500 4.988 4.688 5.242 . 0 0 "[ . 1 . 2]" 1
2280 2 62 GLN HB2 2 62 GLN HE21 . . 4.580 4.478 4.392 4.535 . 0 0 "[ . 1 . 2]" 1
2281 2 62 GLN HB2 2 62 GLN HE22 . . 5.330 5.293 4.626 5.389 0.059 13 0 "[ . 1 . 2]" 1
2282 2 62 GLN HB2 2 63 LYS QG . . 4.860 3.910 3.668 4.244 . 0 0 "[ . 1 . 2]" 1
2283 2 62 GLN HB2 2 64 GLU QG . . 4.530 4.165 3.647 4.564 0.034 9 0 "[ . 1 . 2]" 1
2284 2 62 GLN HB2 2 65 SER H . . 4.970 3.479 2.961 3.685 . 0 0 "[ . 1 . 2]" 1
2285 2 62 GLN HB3 2 63 LYS H . . 5.500 2.130 1.940 2.277 . 0 0 "[ . 1 . 2]" 1
2286 2 62 GLN HB3 2 63 LYS QE . . 3.660 3.594 3.327 3.704 0.044 2 0 "[ . 1 . 2]" 1
2287 2 62 GLN HE21 2 62 GLN HG2 . . 3.560 2.296 2.179 3.254 . 0 0 "[ . 1 . 2]" 1
2288 2 62 GLN HE22 2 62 GLN HG2 . . 4.140 3.551 3.497 3.967 . 0 0 "[ . 1 . 2]" 1
2289 2 63 LYS H 2 63 LYS HB2 . . 3.600 3.564 3.503 3.621 0.021 2 0 "[ . 1 . 2]" 1
2290 2 63 LYS H 2 63 LYS HB3 . . 4.090 2.495 2.310 2.656 . 0 0 "[ . 1 . 2]" 1
2291 2 63 LYS H 2 63 LYS QD . . 4.090 3.866 3.771 3.932 . 0 0 "[ . 1 . 2]" 1
2292 2 63 LYS H 2 63 LYS QE . . 4.150 2.803 2.658 2.979 . 0 0 "[ . 1 . 2]" 1
2293 2 63 LYS H 2 63 LYS QG . . 3.360 1.989 1.803 2.054 . 0 0 "[ . 1 . 2]" 1
2294 2 63 LYS H 2 64 GLU H . . 4.350 3.025 2.199 3.500 . 0 0 "[ . 1 . 2]" 1
2295 2 63 LYS H 2 64 GLU QG . . 4.860 4.118 3.435 4.419 . 0 0 "[ . 1 . 2]" 1
2296 2 63 LYS H 2 65 SER H . . 5.040 4.103 3.727 4.303 . 0 0 "[ . 1 . 2]" 1
2297 2 63 LYS HA 2 63 LYS QD . . 4.270 4.387 4.341 4.436 0.166 9 0 "[ . 1 . 2]" 1
2298 2 63 LYS HA 2 63 LYS QE . . 4.520 4.133 4.008 4.286 . 0 0 "[ . 1 . 2]" 1
2299 2 63 LYS HA 2 63 LYS QG . . 3.940 3.363 3.324 3.400 . 0 0 "[ . 1 . 2]" 1
2300 2 63 LYS HA 2 64 GLU QG . . 5.140 4.995 4.346 5.125 . 0 0 "[ . 1 . 2]" 1
2301 2 63 LYS HA 2 65 SER H . . 3.770 3.934 3.809 4.097 0.327 5 0 "[ . 1 . 2]" 1
2302 2 63 LYS HB2 2 63 LYS QE . . 3.780 3.316 3.198 3.417 . 0 0 "[ . 1 . 2]" 1
2303 2 63 LYS HB2 2 64 GLU H . . 4.120 3.531 2.707 4.222 0.102 6 0 "[ . 1 . 2]" 1
2304 2 63 LYS HB3 2 63 LYS QD . . 3.580 2.550 2.442 2.687 . 0 0 "[ . 1 . 2]" 1
2305 2 63 LYS HB3 2 63 LYS QE . . 3.650 2.018 1.992 2.053 . 0 0 "[ . 1 . 2]" 1
2306 2 63 LYS HB3 2 64 GLU H . . 3.940 3.933 3.613 4.206 0.266 4 0 "[ . 1 . 2]" 1
2307 2 63 LYS QD 2 64 GLU H . . 4.670 4.169 3.495 4.830 0.160 2 0 "[ . 1 . 2]" 1
2308 2 63 LYS QD 2 64 GLU QG . . 4.490 3.868 3.315 4.282 . 0 0 "[ . 1 . 2]" 1
2309 2 63 LYS QE 2 63 LYS QG . . 2.690 2.210 2.183 2.264 . 0 0 "[ . 1 . 2]" 1
2310 2 63 LYS QE 2 64 GLU H . . 4.700 4.465 4.198 4.733 0.033 6 0 "[ . 1 . 2]" 1
2311 2 63 LYS QE 2 64 GLU QG . . 4.560 4.562 4.256 4.596 0.036 7 0 "[ . 1 . 2]" 1
2312 2 63 LYS QG 2 64 GLU H . . 4.190 2.183 1.551 2.806 . 0 0 "[ . 1 . 2]" 1
2313 2 63 LYS QG 2 64 GLU HA . . 4.920 4.069 3.983 4.294 . 0 0 "[ . 1 . 2]" 1
2314 2 63 LYS QG 2 64 GLU HB2 . . 4.800 4.376 3.929 4.624 . 0 0 "[ . 1 . 2]" 1
2315 2 63 LYS QG 2 64 GLU QG . . 3.650 2.390 1.910 2.682 . 0 0 "[ . 1 . 2]" 1
2316 2 64 GLU H 2 64 GLU QG . . 3.660 2.132 1.849 2.686 . 0 0 "[ . 1 . 2]" 1
2317 2 64 GLU H 2 65 SER H . . 3.460 2.575 1.988 3.176 . 0 0 "[ . 1 . 2]" 1
2318 2 64 GLU H 2 66 THR H . . 5.500 4.787 4.444 5.126 . 0 0 "[ . 1 . 2]" 1
2319 2 64 GLU HA 2 64 GLU QG . . 3.450 3.287 2.638 3.340 . 0 0 "[ . 1 . 2]" 1
2320 2 64 GLU HB3 2 65 SER H . . 5.280 4.608 4.549 4.658 . 0 0 "[ . 1 . 2]" 1
2321 2 64 GLU QG 2 65 SER H . . 5.230 3.625 3.530 4.283 . 0 0 "[ . 1 . 2]" 1
2322 2 65 SER H 2 65 SER HB2 . . 3.880 2.573 2.276 3.553 . 0 0 "[ . 1 . 2]" 1
2323 2 65 SER H 2 65 SER HB3 . . 4.010 3.329 2.375 3.599 . 0 0 "[ . 1 . 2]" 1
2324 2 65 SER H 2 66 THR H . . 4.180 2.801 2.723 2.875 . 0 0 "[ . 1 . 2]" 1
2325 2 65 SER HA 2 66 THR HB . . 4.600 4.464 4.365 4.619 0.019 4 0 "[ . 1 . 2]" 1
2326 2 65 SER HB2 2 66 THR H . . 4.470 3.448 3.104 4.035 . 0 0 "[ . 1 . 2]" 1
2327 2 65 SER HB2 2 67 LEU QD . . 4.150 3.480 3.171 3.678 . 0 0 "[ . 1 . 2]" 1
2328 2 65 SER HB3 2 66 THR H . . 4.080 4.016 3.855 4.135 0.055 8 0 "[ . 1 . 2]" 1
2329 2 65 SER HB3 2 67 LEU QD . . 4.250 3.988 3.582 4.256 0.006 5 0 "[ . 1 . 2]" 1
2330 2 66 THR H 2 66 THR HB . . 3.680 3.640 3.621 3.679 . 0 0 "[ . 1 . 2]" 1
2331 2 66 THR H 2 66 THR MG . . 4.310 4.044 4.024 4.088 . 0 0 "[ . 1 . 2]" 1
2332 2 66 THR H 2 67 LEU H . . 4.590 4.201 3.992 4.350 . 0 0 "[ . 1 . 2]" 1
2333 2 66 THR H 2 67 LEU QD . . 4.600 3.372 3.121 3.930 . 0 0 "[ . 1 . 2]" 1
2334 2 66 THR HA 2 66 THR MG . . 3.140 2.420 2.392 2.463 . 0 0 "[ . 1 . 2]" 1
2335 2 66 THR HA 2 67 LEU H . . 3.020 2.212 2.133 2.309 . 0 0 "[ . 1 . 2]" 1
2336 2 66 THR HA 2 67 LEU HB2 . . 5.000 4.269 3.856 4.398 . 0 0 "[ . 1 . 2]" 1
2337 2 66 THR HA 2 67 LEU QD . . 4.160 3.279 3.027 3.909 . 0 0 "[ . 1 . 2]" 1
2338 2 66 THR HB 2 67 LEU H . . 4.770 3.960 3.827 4.215 . 0 0 "[ . 1 . 2]" 1
2339 2 66 THR MG 2 67 LEU H . . 3.230 2.330 2.171 2.675 . 0 0 "[ . 1 . 2]" 1
2340 2 66 THR MG 2 68 HIS HA . . 4.760 4.724 4.524 4.826 0.066 19 0 "[ . 1 . 2]" 1
2341 2 66 THR MG 2 68 HIS HD2 . . 5.030 5.010 4.690 5.088 0.058 1 0 "[ . 1 . 2]" 1
2342 2 66 THR MG 2 68 HIS HE1 . . 4.380 3.892 3.369 4.393 0.013 2 0 "[ . 1 . 2]" 1
2343 2 67 LEU H 2 67 LEU HB2 . . 3.980 2.727 2.306 2.838 . 0 0 "[ . 1 . 2]" 1
2344 2 67 LEU H 2 67 LEU HB3 . . 4.160 3.743 3.236 3.842 . 0 0 "[ . 1 . 2]" 1
2345 2 67 LEU H 2 67 LEU QD . . 3.360 3.101 2.917 3.260 . 0 0 "[ . 1 . 2]" 1
2346 2 67 LEU H 2 67 LEU HG . . 4.270 4.192 4.070 4.624 0.354 19 0 "[ . 1 . 2]" 1
2347 2 67 LEU HA 2 67 LEU QD . . 3.500 2.878 1.805 3.050 . 0 0 "[ . 1 . 2]" 1
2348 2 67 LEU HA 2 67 LEU HG . . 3.780 2.405 2.177 3.600 . 0 0 "[ . 1 . 2]" 1
2349 2 67 LEU HA 2 68 HIS H . . 3.090 2.614 2.571 2.666 . 0 0 "[ . 1 . 2]" 1
2350 2 67 LEU HB2 2 67 LEU QD . . 3.270 2.147 2.110 2.351 . 0 0 "[ . 1 . 2]" 1
2351 2 67 LEU HB2 2 68 HIS H . . 4.090 3.505 3.364 3.985 . 0 0 "[ . 1 . 2]" 1
2352 2 67 LEU HB3 2 67 LEU QD . . 3.130 2.117 2.092 2.167 . 0 0 "[ . 1 . 2]" 1
2353 2 67 LEU HB3 2 68 HIS H . . 3.620 2.095 1.975 2.607 . 0 0 "[ . 1 . 2]" 1
2354 2 67 LEU HB3 2 68 HIS HA . . 4.660 4.245 4.082 4.362 . 0 0 "[ . 1 . 2]" 1
2355 2 67 LEU HB3 2 69 LEU QD . . 4.820 4.840 4.610 4.915 0.095 17 0 "[ . 1 . 2]" 1
2356 2 67 LEU QD 2 68 HIS H . . 3.850 3.203 1.938 3.491 . 0 0 "[ . 1 . 2]" 1
2357 2 67 LEU HG 2 68 HIS H . . 4.400 3.880 3.537 4.140 . 0 0 "[ . 1 . 2]" 1
2358 2 68 HIS H 2 68 HIS HB2 . . 3.940 2.627 2.557 2.739 . 0 0 "[ . 1 . 2]" 1
2359 2 68 HIS H 2 68 HIS HD2 . . 5.260 5.244 5.097 5.324 0.064 11 0 "[ . 1 . 2]" 1
2360 2 68 HIS H 2 69 LEU H . . 4.950 4.422 4.368 4.477 . 0 0 "[ . 1 . 2]" 1
2361 2 68 HIS H 2 70 VAL QG . . 5.500 5.552 5.435 5.624 0.124 12 0 "[ . 1 . 2]" 1
2362 2 68 HIS HA 2 68 HIS HD2 . . 4.480 3.135 2.963 3.289 . 0 0 "[ . 1 . 2]" 1
2363 2 68 HIS HA 2 69 LEU H . . 3.090 2.355 2.280 2.423 . 0 0 "[ . 1 . 2]" 1
2364 2 68 HIS HA 2 69 LEU HB3 . . 5.500 4.774 4.609 4.903 . 0 0 "[ . 1 . 2]" 1
2365 2 68 HIS HB2 2 69 LEU H . . 5.200 3.733 3.535 4.014 . 0 0 "[ . 1 . 2]" 1
2366 2 68 HIS HB2 2 69 LEU QD . . 5.390 5.258 4.744 5.470 0.080 12 0 "[ . 1 . 2]" 1
2367 2 68 HIS HB2 2 70 VAL QG . . 4.870 4.231 3.895 4.576 . 0 0 "[ . 1 . 2]" 1
2368 2 68 HIS HB3 2 69 LEU H . . 4.640 2.587 2.392 2.944 . 0 0 "[ . 1 . 2]" 1
2369 2 68 HIS HB3 2 70 VAL QG . . 5.000 4.114 3.621 4.504 . 0 0 "[ . 1 . 2]" 1
2370 2 68 HIS HD2 2 69 LEU H . . 5.440 4.081 3.832 4.327 . 0 0 "[ . 1 . 2]" 1
2371 2 69 LEU H 2 69 LEU HB3 . . 4.070 3.075 2.818 3.447 . 0 0 "[ . 1 . 2]" 1
2372 2 69 LEU H 2 69 LEU QD . . 4.330 3.152 1.956 3.901 . 0 0 "[ . 1 . 2]" 1
2373 2 69 LEU H 2 69 LEU HG . . 4.940 3.997 2.349 4.693 . 0 0 "[ . 1 . 2]" 1
2374 2 69 LEU H 2 70 VAL H . . 5.250 4.380 3.248 4.504 . 0 0 "[ . 1 . 2]" 1
2375 2 69 LEU HA 2 69 LEU QD . . 3.250 2.470 1.911 3.345 0.095 10 0 "[ . 1 . 2]" 1
2376 2 69 LEU HA 2 70 VAL H . . 3.080 2.280 2.178 2.458 . 0 0 "[ . 1 . 2]" 1
2377 2 69 LEU HA 2 70 VAL HA . . 4.530 4.486 4.454 4.581 0.051 2 0 "[ . 1 . 2]" 1
2378 2 69 LEU HA 2 70 VAL QG . . 4.160 3.159 2.873 3.757 . 0 0 "[ . 1 . 2]" 1
2379 2 69 LEU HA 2 71 LEU H . . 5.500 5.137 4.821 5.517 0.017 18 0 "[ . 1 . 2]" 1
2380 2 69 LEU HB2 2 70 VAL H . . 4.720 3.536 2.234 4.651 . 0 0 "[ . 1 . 2]" 1
2381 2 69 LEU HB3 2 70 VAL H . . 4.700 3.758 3.482 4.439 . 0 0 "[ . 1 . 2]" 1
2382 2 69 LEU QD 2 70 VAL H . . 4.720 3.141 2.417 3.887 . 0 0 "[ . 1 . 2]" 1
2383 2 69 LEU QD 2 71 LEU H . . 5.500 3.841 2.356 4.424 . 0 0 "[ . 1 . 2]" 1
2384 2 69 LEU QD 2 71 LEU HG . . 5.280 3.016 2.083 3.502 . 0 0 "[ . 1 . 2]" 1
2385 2 69 LEU HG 2 70 VAL H . . 4.330 3.273 2.298 4.357 0.027 2 0 "[ . 1 . 2]" 1
2386 2 69 LEU HG 2 71 LEU H . . 5.070 3.975 3.130 4.912 . 0 0 "[ . 1 . 2]" 1
2387 2 70 VAL H 2 70 VAL HB . . 3.530 3.231 2.599 3.537 0.007 17 0 "[ . 1 . 2]" 1
2388 2 70 VAL H 2 70 VAL QG . . 3.320 2.518 1.912 2.991 . 0 0 "[ . 1 . 2]" 1
2389 2 70 VAL H 2 71 LEU H . . 4.680 3.368 2.945 4.103 . 0 0 "[ . 1 . 2]" 1
2390 2 70 VAL HA 2 70 VAL QG . . 3.140 2.286 2.108 2.416 . 0 0 "[ . 1 . 2]" 1
2391 2 70 VAL HA 2 71 LEU H . . 2.910 2.311 2.156 2.545 . 0 0 "[ . 1 . 2]" 1
2392 2 70 VAL HA 2 71 LEU HA . . 4.700 4.554 4.456 4.698 . 0 0 "[ . 1 . 2]" 1
2393 2 70 VAL HA 2 71 LEU HG . . 4.480 3.975 3.694 4.257 . 0 0 "[ . 1 . 2]" 1
2394 2 70 VAL HB 2 71 LEU H . . 4.630 4.495 4.416 4.572 . 0 0 "[ . 1 . 2]" 1
2395 2 70 VAL QG 2 71 LEU HA . . 4.840 4.286 4.108 4.639 . 0 0 "[ . 1 . 2]" 1
2396 2 70 VAL QG 2 72 ARG HA . . 5.390 4.635 4.195 4.900 . 0 0 "[ . 1 . 2]" 1
2397 2 70 VAL QG 2 72 ARG HG3 . . 5.500 5.043 4.258 5.505 0.005 15 0 "[ . 1 . 2]" 1
2398 2 71 LEU H 2 71 LEU HB2 . . 4.020 2.580 2.500 2.650 . 0 0 "[ . 1 . 2]" 1
2399 2 71 LEU H 2 71 LEU HB3 . . 3.490 3.541 3.524 3.574 0.084 8 0 "[ . 1 . 2]" 1
2400 2 71 LEU H 2 71 LEU QD . . 3.540 2.679 2.590 2.828 . 0 0 "[ . 1 . 2]" 1
2401 2 71 LEU H 2 71 LEU HG . . 3.530 1.938 1.823 2.215 . 0 0 "[ . 1 . 2]" 1
2402 2 71 LEU HA 2 71 LEU QD . . 3.020 2.043 1.979 2.131 . 0 0 "[ . 1 . 2]" 1
2403 2 71 LEU HA 2 71 LEU HG . . 4.110 3.282 3.214 3.374 . 0 0 "[ . 1 . 2]" 1
2404 2 71 LEU HA 2 72 ARG H . . 3.030 2.323 2.185 2.451 . 0 0 "[ . 1 . 2]" 1
2405 2 71 LEU HA 2 72 ARG HA . . 4.620 4.395 4.291 4.484 . 0 0 "[ . 1 . 2]" 1
2406 2 71 LEU QD 2 72 ARG H . . 4.390 3.458 3.325 3.569 . 0 0 "[ . 1 . 2]" 1
2407 2 72 ARG H 2 72 ARG HB2 . . 3.470 2.341 2.215 2.404 . 0 0 "[ . 1 . 2]" 1
2408 2 72 ARG H 2 72 ARG HB3 . . 3.540 3.572 3.522 3.610 0.070 5 0 "[ . 1 . 2]" 1
2409 2 72 ARG H 2 72 ARG QD . . 5.090 4.102 3.684 4.619 . 0 0 "[ . 1 . 2]" 1
2410 2 72 ARG H 2 72 ARG HG2 . . 3.850 3.579 3.316 3.861 0.011 8 0 "[ . 1 . 2]" 1
2411 2 72 ARG H 2 72 ARG HG3 . . 3.380 2.561 2.315 2.856 . 0 0 "[ . 1 . 2]" 1
2412 2 72 ARG H 2 74 ARG QD . . 4.250 4.317 4.225 4.432 0.182 20 0 "[ . 1 . 2]" 1
2413 2 72 ARG HA 2 72 ARG QD . . 4.490 3.949 3.616 4.217 . 0 0 "[ . 1 . 2]" 1
2414 2 72 ARG HA 2 72 ARG HE . . 4.600 4.383 3.861 4.744 0.144 14 0 "[ . 1 . 2]" 1
2415 2 72 ARG HA 2 72 ARG HG2 . . 3.760 2.339 2.140 2.568 . 0 0 "[ . 1 . 2]" 1
2416 2 72 ARG HA 2 72 ARG HG3 . . 3.190 3.050 2.750 3.212 0.022 14 0 "[ . 1 . 2]" 1
2417 2 72 ARG HB2 2 72 ARG HE . . 5.000 2.915 2.158 3.692 . 0 0 "[ . 1 . 2]" 1
2418 2 72 ARG HB2 2 74 ARG QD . . 3.650 2.531 2.270 2.806 . 0 0 "[ . 1 . 2]" 1
2419 2 72 ARG HB3 2 72 ARG HE . . 4.290 2.593 1.853 3.007 . 0 0 "[ . 1 . 2]" 1
2420 2 72 ARG HB3 2 73 LEU H . . 4.620 3.731 2.373 4.338 . 0 0 "[ . 1 . 2]" 1
2421 2 72 ARG HB3 2 74 ARG QD . . 2.910 2.281 1.970 2.839 . 0 0 "[ . 1 . 2]" 1
2422 2 72 ARG HB3 2 74 ARG HE . . 4.630 3.876 2.240 4.670 0.040 2 0 "[ . 1 . 2]" 1
2423 2 72 ARG HE 2 72 ARG HG3 . . 3.950 3.164 2.563 3.643 . 0 0 "[ . 1 . 2]" 1
2424 2 72 ARG HE 2 74 ARG QD . . 3.340 3.209 2.398 3.395 0.055 17 0 "[ . 1 . 2]" 1
2425 2 73 LEU H 2 73 LEU QD . . 3.740 2.508 1.992 3.577 . 0 0 "[ . 1 . 2]" 1
2426 2 73 LEU H 2 74 ARG QD . . 4.640 3.739 3.106 4.171 . 0 0 "[ . 1 . 2]" 1
2427 2 73 LEU H 2 74 ARG HE . . 5.500 5.171 3.463 5.640 0.140 12 0 "[ . 1 . 2]" 1
2428 2 73 LEU HA 2 73 LEU HB2 . . 2.940 2.992 2.524 3.032 0.092 12 0 "[ . 1 . 2]" 1
2429 2 73 LEU HA 2 73 LEU HB3 . . 2.910 2.543 2.408 3.025 0.115 3 0 "[ . 1 . 2]" 1
2430 2 73 LEU HA 2 73 LEU QD . . 2.750 2.061 1.924 2.772 0.022 9 0 "[ . 1 . 2]" 1
2431 2 73 LEU HB2 2 73 LEU QD . . 3.040 2.291 2.117 2.415 . 0 0 "[ . 1 . 2]" 1
2432 2 73 LEU HB2 2 74 ARG H . . 3.160 2.962 2.220 3.464 0.304 20 0 "[ . 1 . 2]" 1
2433 2 73 LEU QD 2 75 GLY H . . 5.310 4.758 3.704 5.277 . 0 0 "[ . 1 . 2]" 1
2434 2 73 LEU QD 2 76 GLY H . . 5.160 4.724 3.669 5.176 0.016 15 0 "[ . 1 . 2]" 1
2435 2 73 LEU QD 2 76 GLY HA2 . . 5.090 4.562 3.230 5.102 0.012 12 0 "[ . 1 . 2]" 1
2436 2 74 ARG H 2 74 ARG HA . . 2.410 2.355 2.237 2.948 0.538 20 1 "[ . 1 . +]" 1
2437 2 74 ARG H 2 74 ARG QD . . 3.900 2.453 1.819 3.554 . 0 0 "[ . 1 . 2]" 1
2438 2 74 ARG H 2 74 ARG HE . . 5.500 4.058 1.826 5.300 . 0 0 "[ . 1 . 2]" 1
2439 2 74 ARG H 2 74 ARG QG . . 4.060 3.169 2.721 3.867 . 0 0 "[ . 1 . 2]" 1
2440 2 74 ARG HA 2 74 ARG HB2 . . 2.940 3.024 3.000 3.035 0.095 20 0 "[ . 1 . 2]" 1
2441 2 74 ARG HA 2 74 ARG QD . . 3.280 2.832 1.947 3.371 0.091 16 0 "[ . 1 . 2]" 1
2442 2 74 ARG HA 2 74 ARG HE . . 5.390 4.056 2.301 5.167 . 0 0 "[ . 1 . 2]" 1
2443 2 74 ARG HA 2 74 ARG QG . . 3.150 2.585 2.094 3.201 0.051 20 0 "[ . 1 . 2]" 1
2444 2 74 ARG HB2 2 74 ARG QG . . 2.610 2.369 2.146 2.562 . 0 0 "[ . 1 . 2]" 1
2445 2 74 ARG HB2 2 75 GLY H . . 3.090 2.295 1.927 2.686 . 0 0 "[ . 1 . 2]" 1
2446 2 74 ARG HB2 2 75 GLY HA3 . . 4.190 4.240 4.007 4.396 0.206 18 0 "[ . 1 . 2]" 1
2447 2 74 ARG HB2 2 76 GLY H . . 4.660 3.385 2.841 4.248 . 0 0 "[ . 1 . 2]" 1
2448 2 74 ARG HB3 2 74 ARG QD . . 3.200 3.240 2.569 3.458 0.258 7 0 "[ . 1 . 2]" 1
2449 2 74 ARG HB3 2 74 ARG HE . . 4.690 3.885 2.869 4.934 0.244 17 0 "[ . 1 . 2]" 1
2450 2 74 ARG HB3 2 74 ARG QG . . 2.680 2.214 2.124 2.364 . 0 0 "[ . 1 . 2]" 1
2451 2 74 ARG HB3 2 75 GLY H . . 3.060 3.175 3.072 3.276 0.216 20 0 "[ . 1 . 2]" 1
2452 2 74 ARG HB3 2 76 GLY H . . 4.700 4.469 4.096 4.829 0.129 16 0 "[ . 1 . 2]" 1
2453 2 74 ARG QD 2 75 GLY H . . 4.610 4.287 3.914 4.655 0.045 4 0 "[ . 1 . 2]" 1
2454 2 75 GLY H 2 75 GLY HA2 . . 2.820 2.897 2.836 2.979 0.159 19 0 "[ . 1 . 2]" 1
2455 2 75 GLY H 2 76 GLY H . . 3.140 1.719 1.681 1.824 . 0 0 "[ . 1 . 2]" 1
2456 2 75 GLY HA3 2 76 GLY H . . 3.100 3.157 3.102 3.241 0.141 16 0 "[ . 1 . 2]" 1
2457 2 76 GLY H 2 76 GLY HA3 . . 2.840 2.823 2.729 2.850 0.010 20 0 "[ . 1 . 2]" 1
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