NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
405430 |
1x5n   |
11204 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x5n
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 2098
_Distance_constraint_stats_list.Viol_count 2533
_Distance_constraint_stats_list.Viol_total 2646.229
_Distance_constraint_stats_list.Viol_max 0.998
_Distance_constraint_stats_list.Viol_rms 0.0266
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0032
_Distance_constraint_stats_list.Viol_average_violations_only 0.0522
_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 12 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLU 0.954 0.259 4 0 "[ . 1 . 2]"
1 14 ASN 0.032 0.016 20 0 "[ . 1 . 2]"
1 15 LYS 2.613 0.228 7 0 "[ . 1 . 2]"
1 16 GLU 3.482 0.998 12 1 "[ . 1 + . 2]"
1 17 LYS 3.275 0.228 10 0 "[ . 1 . 2]"
1 18 LYS 4.162 0.364 8 0 "[ . 1 . 2]"
1 19 VAL 1.502 0.128 15 0 "[ . 1 . 2]"
1 20 PHE 2.046 0.527 1 1 "[+ . 1 . 2]"
1 21 ILE 7.573 0.615 19 2 "[ . 1 * +2]"
1 22 SER 0.168 0.070 19 0 "[ . 1 . 2]"
1 23 LEU 0.208 0.046 15 0 "[ . 1 . 2]"
1 24 VAL 0.372 0.207 9 0 "[ . 1 . 2]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ARG 2.146 0.836 1 1 "[+ . 1 . 2]"
1 28 GLY 0.186 0.122 11 0 "[ . 1 . 2]"
1 29 LEU 0.282 0.033 6 0 "[ . 1 . 2]"
1 30 GLY 0.223 0.036 8 0 "[ . 1 . 2]"
1 31 CYS 0.808 0.081 20 0 "[ . 1 . 2]"
1 32 SER 1.744 0.109 19 0 "[ . 1 . 2]"
1 33 ILE 1.689 0.109 19 0 "[ . 1 . 2]"
1 34 SER 0.327 0.027 19 0 "[ . 1 . 2]"
1 35 SER 2.907 0.779 3 2 "[ + . 1 . -2]"
1 36 GLY 14.423 0.463 5 0 "[ . 1 . 2]"
1 37 PRO 5.405 0.153 12 0 "[ . 1 . 2]"
1 38 ILE 2.935 0.177 15 0 "[ . 1 . 2]"
1 39 GLN 5.729 0.177 15 0 "[ . 1 . 2]"
1 40 LYS 10.675 0.870 9 6 "[ * .* -+1 .** 2]"
1 41 PRO 8.182 0.456 5 0 "[ . 1 . 2]"
1 42 GLY 11.096 0.463 5 0 "[ . 1 . 2]"
1 43 ILE 1.361 0.137 19 0 "[ . 1 . 2]"
1 44 PHE 6.257 0.405 11 0 "[ . 1 . 2]"
1 45 ILE 1.065 0.043 11 0 "[ . 1 . 2]"
1 46 SER 0.217 0.029 5 0 "[ . 1 . 2]"
1 47 HIS 2.238 0.111 20 0 "[ . 1 . 2]"
1 48 VAL 0.096 0.026 19 0 "[ . 1 . 2]"
1 49 LYS 2.969 0.290 16 0 "[ . 1 . 2]"
1 50 PRO 0.334 0.180 16 0 "[ . 1 . 2]"
1 51 GLY 0.251 0.132 8 0 "[ . 1 . 2]"
1 52 SER 0.074 0.026 8 0 "[ . 1 . 2]"
1 53 LEU 4.895 0.836 1 3 "[+ . 1 - *2]"
1 54 SER 0.751 0.129 4 0 "[ . 1 . 2]"
1 55 ALA 0.857 0.132 19 0 "[ . 1 . 2]"
1 56 GLU 1.294 0.132 19 0 "[ . 1 . 2]"
1 57 VAL 2.458 0.544 15 2 "[ . 1 + -2]"
1 58 GLY 0.035 0.018 18 0 "[ . 1 . 2]"
1 59 LEU 5.120 0.512 16 1 "[ . 1 .+ 2]"
1 60 GLU 4.368 0.512 16 1 "[ . 1 .+ 2]"
1 61 ILE 2.527 0.483 16 0 "[ . 1 . 2]"
1 62 GLY 0.217 0.027 18 0 "[ . 1 . 2]"
1 63 ASP 1.640 0.088 19 0 "[ . 1 . 2]"
1 64 GLN 3.128 0.147 4 0 "[ . 1 . 2]"
1 65 ILE 0.086 0.029 16 0 "[ . 1 . 2]"
1 66 VAL 5.000 0.998 12 1 "[ . 1 + . 2]"
1 67 GLU 4.229 0.102 10 0 "[ . 1 . 2]"
1 68 VAL 1.584 0.186 20 0 "[ . 1 . 2]"
1 69 ASN 1.182 0.186 20 0 "[ . 1 . 2]"
1 70 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 VAL 1.261 0.107 10 0 "[ . 1 . 2]"
1 72 ASP 0.834 0.107 10 0 "[ . 1 . 2]"
1 73 PHE 3.175 0.129 10 0 "[ . 1 . 2]"
1 74 SER 0.002 0.002 8 0 "[ . 1 . 2]"
1 75 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LEU 7.594 0.160 17 0 "[ . 1 . 2]"
1 77 ASP 0.516 0.081 1 0 "[ . 1 . 2]"
1 78 HIS 2.717 0.779 3 2 "[ + . 1 . -2]"
1 79 LYS 7.813 0.983 11 2 "[ . 1+ .- 2]"
1 80 GLU 8.037 0.983 11 2 "[ . 1+ .- 2]"
1 81 ALA 1.731 0.105 13 0 "[ . 1 . 2]"
1 82 VAL 3.337 0.922 16 2 "[ . 1- .+ 2]"
1 83 ASN 4.948 0.577 13 3 "[ . 1 + * - 2]"
1 84 VAL 0.744 0.105 13 0 "[ . 1 . 2]"
1 85 LEU 0.316 0.051 13 0 "[ . 1 . 2]"
1 86 LYS 6.180 0.577 13 3 "[ . 1 + * - 2]"
1 87 SER 0.708 0.193 18 0 "[ . 1 . 2]"
1 88 SER 0.363 0.044 20 0 "[ . 1 . 2]"
1 89 ARG 0.177 0.046 15 0 "[ . 1 . 2]"
1 90 SER 1.398 0.527 1 1 "[+ . 1 . 2]"
1 91 LEU 1.349 0.103 19 0 "[ . 1 . 2]"
1 92 THR 1.531 0.109 19 0 "[ . 1 . 2]"
1 93 ILE 2.451 0.128 15 0 "[ . 1 . 2]"
1 94 SER 4.107 0.364 8 0 "[ . 1 . 2]"
1 95 ILE 1.387 0.140 20 0 "[ . 1 . 2]"
1 96 VAL 4.785 0.211 20 0 "[ . 1 . 2]"
1 97 ALA 5.716 0.228 10 0 "[ . 1 . 2]"
1 98 ALA 0.106 0.024 8 0 "[ . 1 . 2]"
1 99 ALA 1.837 0.067 9 0 "[ . 1 . 2]"
1 100 GLY 0.580 0.222 5 0 "[ . 1 . 2]"
1 101 ARG 0.733 0.067 17 0 "[ . 1 . 2]"
1 102 GLU 0.309 0.075 18 0 "[ . 1 . 2]"
1 103 LEU 2.224 0.157 9 0 "[ . 1 . 2]"
1 104 PHE 0.172 0.029 18 0 "[ . 1 . 2]"
1 105 MET 2.497 0.457 14 0 "[ . 1 . 2]"
1 106 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 ARG 3.453 0.330 9 0 "[ . 1 . 2]"
1 110 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 45 ILE H 1 65 ILE H . . 4.970 4.630 4.406 4.872 . 0 0 "[ . 1 . 2]" 1
2 1 44 PHE QD 1 65 ILE H . . 5.050 4.839 4.718 5.039 . 0 0 "[ . 1 . 2]" 1
3 1 43 ILE HB 1 65 ILE H . . 4.850 3.168 2.832 3.359 . 0 0 "[ . 1 . 2]" 1
4 1 64 GLN HB2 1 65 ILE H . . 4.910 4.234 4.143 4.350 . 0 0 "[ . 1 . 2]" 1
5 1 64 GLN HB3 1 65 ILE H . . 4.920 4.320 4.194 4.439 . 0 0 "[ . 1 . 2]" 1
6 1 64 GLN HG2 1 65 ILE H . . 4.190 2.873 2.341 3.169 . 0 0 "[ . 1 . 2]" 1
7 1 65 ILE H 1 65 ILE HB . . 3.590 2.417 2.320 2.479 . 0 0 "[ . 1 . 2]" 1
8 1 64 GLN HG3 1 65 ILE H . . 4.200 3.248 3.011 3.522 . 0 0 "[ . 1 . 2]" 1
9 1 43 ILE MG 1 65 ILE H . . 4.610 3.323 2.974 3.547 . 0 0 "[ . 1 . 2]" 1
10 1 65 ILE H 1 65 ILE MD . . 4.020 3.181 2.197 3.480 . 0 0 "[ . 1 . 2]" 1
11 1 65 ILE H 1 65 ILE MG . . 4.430 3.724 3.693 3.755 . 0 0 "[ . 1 . 2]" 1
12 1 20 PHE H 1 21 ILE H . . 4.870 4.340 4.109 4.462 . 0 0 "[ . 1 . 2]" 1
13 1 20 PHE QD 1 21 ILE H . . 4.600 2.930 2.510 4.024 . 0 0 "[ . 1 . 2]" 1
14 1 21 ILE H 1 92 THR HA . . 4.450 3.424 3.244 3.618 . 0 0 "[ . 1 . 2]" 1
15 1 20 PHE HB2 1 21 ILE H . . 4.620 4.653 4.611 4.687 0.067 17 0 "[ . 1 . 2]" 1
16 1 21 ILE H 1 93 ILE HB . . 4.460 4.479 4.461 4.506 0.046 19 0 "[ . 1 . 2]" 1
17 1 21 ILE H 1 21 ILE HB . . 3.760 2.360 2.160 2.472 . 0 0 "[ . 1 . 2]" 1
18 1 21 ILE H 1 21 ILE HG12 . . 4.220 2.898 2.599 4.496 0.276 15 0 "[ . 1 . 2]" 1
19 1 68 VAL H 1 69 ASN H . . 4.850 4.010 3.923 4.202 . 0 0 "[ . 1 . 2]" 1
20 1 69 ASN H 1 93 ILE HG12 . . 5.060 4.939 4.740 5.043 . 0 0 "[ . 1 . 2]" 1
21 1 68 VAL HB 1 69 ASN H . . 5.200 4.400 4.279 4.459 . 0 0 "[ . 1 . 2]" 1
22 1 91 LEU H 1 91 LEU MD2 . . 4.750 4.462 4.340 4.528 . 0 0 "[ . 1 . 2]" 1
23 1 48 VAL H 1 61 ILE QG . . 4.850 3.632 3.396 3.782 . 0 0 "[ . 1 . 2]" 1
24 1 91 LEU H 1 91 LEU HG . . 4.320 3.263 3.056 3.367 . 0 0 "[ . 1 . 2]" 1
25 1 21 ILE H 1 91 LEU H . . 4.230 3.178 2.910 3.411 . 0 0 "[ . 1 . 2]" 1
26 1 91 LEU H 1 91 LEU HB3 . . 4.060 3.834 3.777 3.866 . 0 0 "[ . 1 . 2]" 1
27 1 21 ILE HB 1 91 LEU H . . 4.460 3.908 3.533 4.209 . 0 0 "[ . 1 . 2]" 1
28 1 21 ILE MG 1 91 LEU H . . 5.090 4.138 3.015 4.533 . 0 0 "[ . 1 . 2]" 1
29 1 68 VAL MG1 1 91 LEU H . . 5.430 5.321 5.186 5.457 0.027 9 0 "[ . 1 . 2]" 1
30 1 53 LEU H 1 55 ALA H . . 5.300 3.984 3.634 4.491 . 0 0 "[ . 1 . 2]" 1
31 1 54 SER H 1 55 ALA H . . 3.620 2.195 2.134 2.346 . 0 0 "[ . 1 . 2]" 1
32 1 52 SER HG 1 55 ALA H . . 4.240 2.364 1.946 2.972 . 0 0 "[ . 1 . 2]" 1
33 1 52 SER HA 1 55 ALA H . . 4.780 4.539 4.208 4.806 0.026 8 0 "[ . 1 . 2]" 1
34 1 53 LEU HA 1 55 ALA H . . 5.160 4.535 4.265 4.980 . 0 0 "[ . 1 . 2]" 1
35 1 54 SER HG 1 55 ALA H . . 4.020 3.669 2.943 4.041 0.021 16 0 "[ . 1 . 2]" 1
36 1 54 SER HB2 1 55 ALA H . . 4.060 3.085 2.348 3.517 . 0 0 "[ . 1 . 2]" 1
37 1 54 SER HB3 1 55 ALA H . . 4.450 4.180 3.765 4.391 . 0 0 "[ . 1 . 2]" 1
38 1 55 ALA H 1 56 GLU HB3 . . 5.040 4.946 4.824 5.103 0.063 8 0 "[ . 1 . 2]" 1
39 1 55 ALA H 1 57 VAL MG2 . . 4.990 4.334 4.047 4.863 . 0 0 "[ . 1 . 2]" 1
40 1 48 VAL QG 1 55 ALA H . . 3.630 2.818 2.556 2.956 . 0 0 "[ . 1 . 2]" 1
41 1 20 PHE H 1 20 PHE HB2 . . 3.900 2.270 2.129 2.651 . 0 0 "[ . 1 . 2]" 1
42 1 19 VAL MG2 1 20 PHE H . . 4.610 4.250 3.607 4.401 . 0 0 "[ . 1 . 2]" 1
43 1 67 GLU HA 1 71 VAL H . . 4.800 4.138 3.646 4.530 . 0 0 "[ . 1 . 2]" 1
44 1 69 ASN HA 1 71 VAL H . . 5.090 4.540 4.396 4.877 . 0 0 "[ . 1 . 2]" 1
45 1 69 ASN HB3 1 71 VAL H . . 4.870 4.018 3.543 4.704 . 0 0 "[ . 1 . 2]" 1
46 1 71 VAL H 1 71 VAL HB . . 3.260 2.422 2.382 2.527 . 0 0 "[ . 1 . 2]" 1
47 1 67 GLU HG3 1 71 VAL H . . 4.330 2.762 2.295 3.109 . 0 0 "[ . 1 . 2]" 1
48 1 69 ASN HB2 1 71 VAL H . . 5.150 4.309 3.973 4.933 . 0 0 "[ . 1 . 2]" 1
49 1 71 VAL H 1 71 VAL MG2 . . 3.120 2.386 2.112 2.657 . 0 0 "[ . 1 . 2]" 1
50 1 45 ILE HB 1 63 ASP H . . 4.550 3.309 3.002 3.486 . 0 0 "[ . 1 . 2]" 1
51 1 39 GLN H 1 40 LYS H . . 3.230 2.404 2.381 2.424 . 0 0 "[ . 1 . 2]" 1
52 1 37 PRO HA 1 40 LYS H . . 4.840 4.358 4.313 4.400 . 0 0 "[ . 1 . 2]" 1
53 1 38 ILE HA 1 40 LYS H . . 4.260 4.152 4.086 4.199 . 0 0 "[ . 1 . 2]" 1
54 1 37 PRO HD2 1 40 LYS H . . 4.240 2.902 2.873 2.932 . 0 0 "[ . 1 . 2]" 1
55 1 40 LYS H 1 41 PRO HD2 . . 3.820 3.861 3.853 3.868 0.048 3 0 "[ . 1 . 2]" 1
56 1 40 LYS H 1 41 PRO HD3 . . 3.410 2.576 2.566 2.584 . 0 0 "[ . 1 . 2]" 1
57 1 39 GLN HG2 1 40 LYS H . . 4.720 2.317 2.152 2.440 . 0 0 "[ . 1 . 2]" 1
58 1 37 PRO HB2 1 40 LYS H . . 4.400 3.124 3.095 3.152 . 0 0 "[ . 1 . 2]" 1
59 1 39 GLN HG3 1 40 LYS H . . 4.330 2.953 2.753 3.442 . 0 0 "[ . 1 . 2]" 1
60 1 37 PRO HB3 1 40 LYS H . . 4.340 4.466 4.440 4.487 0.147 5 0 "[ . 1 . 2]" 1
61 1 40 LYS H 1 41 PRO QG . . 4.260 4.271 4.260 4.280 0.020 3 0 "[ . 1 . 2]" 1
62 1 40 LYS H 1 40 LYS HB3 . . 3.860 2.865 2.720 3.014 . 0 0 "[ . 1 . 2]" 1
63 1 37 PRO HG2 1 40 LYS H . . 3.500 2.462 2.435 2.501 . 0 0 "[ . 1 . 2]" 1
64 1 40 LYS H 1 40 LYS HB2 . . 3.880 3.143 2.974 3.329 . 0 0 "[ . 1 . 2]" 1
65 1 40 LYS H 1 103 LEU MD2 . . 5.060 4.717 4.346 4.974 . 0 0 "[ . 1 . 2]" 1
66 1 36 GLY H 1 44 PHE H . . 5.290 4.648 4.115 5.056 . 0 0 "[ . 1 . 2]" 1
67 1 44 PHE H 1 44 PHE QD . . 3.870 2.052 1.940 2.388 . 0 0 "[ . 1 . 2]" 1
68 1 44 PHE H 1 44 PHE HB2 . . 3.950 2.657 2.520 2.781 . 0 0 "[ . 1 . 2]" 1
69 1 33 ILE HB 1 44 PHE H . . 4.850 4.073 3.598 4.454 . 0 0 "[ . 1 . 2]" 1
70 1 94 SER H 1 94 SER HB3 . . 3.800 3.266 3.189 3.373 . 0 0 "[ . 1 . 2]" 1
71 1 67 GLU HB2 1 94 SER H . . 4.890 4.925 4.872 4.992 0.102 10 0 "[ . 1 . 2]" 1
72 1 67 GLU HB3 1 94 SER H . . 4.730 3.420 3.365 3.481 . 0 0 "[ . 1 . 2]" 1
73 1 93 ILE HB 1 94 SER H . . 4.720 4.156 4.063 4.205 . 0 0 "[ . 1 . 2]" 1
74 1 93 ILE HG13 1 94 SER H . . 5.070 4.836 4.784 4.862 . 0 0 "[ . 1 . 2]" 1
75 1 95 ILE H 1 96 VAL H . . 5.030 4.528 4.491 4.548 . 0 0 "[ . 1 . 2]" 1
76 1 96 VAL H 1 97 ALA HA . . 4.490 4.510 4.432 4.549 0.059 10 0 "[ . 1 . 2]" 1
77 1 95 ILE HB 1 96 VAL H . . 3.650 2.326 2.150 2.425 . 0 0 "[ . 1 . 2]" 1
78 1 96 VAL H 1 97 ALA MB . . 5.280 4.748 4.697 4.776 . 0 0 "[ . 1 . 2]" 1
79 1 95 ILE MD 1 96 VAL H . . 4.260 3.510 3.322 3.633 . 0 0 "[ . 1 . 2]" 1
80 1 96 VAL H 1 96 VAL HB . . 3.700 2.436 2.398 2.485 . 0 0 "[ . 1 . 2]" 1
81 1 64 GLN H 1 95 ILE MG . . 4.540 3.697 3.407 3.812 . 0 0 "[ . 1 . 2]" 1
82 1 64 GLN H 1 98 ALA HA . . 4.560 4.131 3.913 4.498 . 0 0 "[ . 1 . 2]" 1
83 1 63 ASP HB2 1 64 GLN H . . 4.810 4.498 4.471 4.525 . 0 0 "[ . 1 . 2]" 1
84 1 63 ASP HB3 1 64 GLN H . . 4.320 3.938 3.902 3.964 . 0 0 "[ . 1 . 2]" 1
85 1 64 GLN H 1 64 GLN HB2 . . 3.820 2.745 2.684 2.791 . 0 0 "[ . 1 . 2]" 1
86 1 18 LYS H 1 18 LYS HB2 . . 3.630 2.750 2.457 3.083 . 0 0 "[ . 1 . 2]" 1
87 1 17 LYS QG 1 18 LYS H . . 3.900 3.786 3.515 3.909 0.009 7 0 "[ . 1 . 2]" 1
88 1 18 LYS H 1 19 VAL MG1 . . 5.370 4.248 4.011 4.502 . 0 0 "[ . 1 . 2]" 1
89 1 68 VAL H 1 70 GLY H . . 4.420 3.044 2.853 3.381 . 0 0 "[ . 1 . 2]" 1
90 1 67 GLU H 1 68 VAL H . . 4.740 4.357 4.323 4.389 . 0 0 "[ . 1 . 2]" 1
91 1 68 VAL H 1 73 PHE QD . . 4.490 3.329 3.217 3.403 . 0 0 "[ . 1 . 2]" 1
92 1 68 VAL H 1 73 PHE QE . . 4.710 4.312 4.071 4.629 . 0 0 "[ . 1 . 2]" 1
93 1 68 VAL H 1 71 VAL HB . . 4.190 2.678 2.450 2.922 . 0 0 "[ . 1 . 2]" 1
94 1 67 GLU HB2 1 68 VAL H . . 4.470 3.883 3.827 3.953 . 0 0 "[ . 1 . 2]" 1
95 1 68 VAL H 1 68 VAL HB . . 3.840 2.858 2.791 2.885 . 0 0 "[ . 1 . 2]" 1
96 1 68 VAL H 1 71 VAL MG1 . . 4.180 3.999 3.859 4.156 . 0 0 "[ . 1 . 2]" 1
97 1 67 GLU H 1 94 SER H . . 3.960 2.860 2.787 2.957 . 0 0 "[ . 1 . 2]" 1
98 1 66 VAL H 1 67 GLU H . . 3.150 2.067 2.019 2.120 . 0 0 "[ . 1 . 2]" 1
99 1 67 GLU H 1 68 VAL HA . . 5.290 4.743 4.710 4.789 . 0 0 "[ . 1 . 2]" 1
100 1 67 GLU H 1 93 ILE HA . . 5.010 4.573 4.494 4.658 . 0 0 "[ . 1 . 2]" 1
101 1 67 GLU H 1 94 SER HB2 . . 3.790 3.549 3.493 3.603 . 0 0 "[ . 1 . 2]" 1
102 1 67 GLU H 1 73 PHE HB2 . . 5.330 3.188 3.062 3.329 . 0 0 "[ . 1 . 2]" 1
103 1 66 VAL HB 1 67 GLU H . . 4.150 4.178 4.128 4.206 0.056 10 0 "[ . 1 . 2]" 1
104 1 67 GLU H 1 67 GLU HG2 . . 5.060 4.295 4.267 4.320 . 0 0 "[ . 1 . 2]" 1
105 1 67 GLU H 1 67 GLU HG3 . . 5.170 4.790 4.753 4.845 . 0 0 "[ . 1 . 2]" 1
106 1 67 GLU H 1 67 GLU HB3 . . 4.150 2.856 2.777 2.904 . 0 0 "[ . 1 . 2]" 1
107 1 66 VAL MG1 1 67 GLU H . . 4.480 3.994 3.858 4.036 . 0 0 "[ . 1 . 2]" 1
108 1 65 ILE HA 1 67 GLU H . . 4.190 3.364 3.322 3.409 . 0 0 "[ . 1 . 2]" 1
109 1 65 ILE HB 1 67 GLU H . . 5.500 4.962 4.879 5.072 . 0 0 "[ . 1 . 2]" 1
110 1 67 GLU H 1 68 VAL MG2 . . 4.610 3.325 3.268 3.405 . 0 0 "[ . 1 . 2]" 1
111 1 94 SER HA 1 95 ILE H . . 3.090 2.242 2.220 2.269 . 0 0 "[ . 1 . 2]" 1
112 1 94 SER HB2 1 95 ILE H . . 4.900 4.705 4.672 4.725 . 0 0 "[ . 1 . 2]" 1
113 1 95 ILE H 1 95 ILE HB . . 3.810 3.609 3.583 3.656 . 0 0 "[ . 1 . 2]" 1
114 1 95 ILE H 1 95 ILE HG13 . . 4.060 1.966 1.931 2.081 . 0 0 "[ . 1 . 2]" 1
115 1 95 ILE H 1 95 ILE HG12 . . 3.910 2.585 2.448 2.734 . 0 0 "[ . 1 . 2]" 1
116 1 17 LYS H 1 95 ILE H . . 3.990 3.517 3.137 3.662 . 0 0 "[ . 1 . 2]" 1
117 1 17 LYS H 1 94 SER HA . . 4.870 4.696 4.199 4.873 0.003 19 0 "[ . 1 . 2]" 1
118 1 16 GLU QB 1 17 LYS H . . 3.930 3.746 2.993 3.906 . 0 0 "[ . 1 . 2]" 1
119 1 17 LYS H 1 17 LYS HB2 . . 4.200 3.764 3.709 3.893 . 0 0 "[ . 1 . 2]" 1
120 1 17 LYS H 1 17 LYS HB3 . . 3.960 2.938 2.804 3.204 . 0 0 "[ . 1 . 2]" 1
121 1 17 LYS H 1 17 LYS QG . . 4.000 2.314 1.989 2.488 . 0 0 "[ . 1 . 2]" 1
122 1 17 LYS H 1 95 ILE HG12 . . 4.880 4.785 4.443 4.900 0.020 16 0 "[ . 1 . 2]" 1
123 1 17 LYS H 1 96 VAL MG2 . . 4.990 4.374 4.182 4.686 . 0 0 "[ . 1 . 2]" 1
124 1 80 GLU HB2 1 81 ALA H . . 3.910 2.804 2.719 2.856 . 0 0 "[ . 1 . 2]" 1
125 1 80 GLU HB3 1 81 ALA H . . 4.010 3.818 3.728 3.939 . 0 0 "[ . 1 . 2]" 1
126 1 76 LEU HB3 1 81 ALA H . . 4.660 3.160 3.012 3.297 . 0 0 "[ . 1 . 2]" 1
127 1 43 ILE HG13 1 81 ALA H . . 4.930 4.620 4.509 4.788 . 0 0 "[ . 1 . 2]" 1
128 1 43 ILE MD 1 81 ALA H . . 4.580 3.664 3.553 3.779 . 0 0 "[ . 1 . 2]" 1
129 1 98 ALA H 1 99 ALA H . . 3.890 3.002 2.840 3.088 . 0 0 "[ . 1 . 2]" 1
130 1 99 ALA H 1 100 GLY H . . 3.700 2.959 2.808 3.090 . 0 0 "[ . 1 . 2]" 1
131 1 64 GLN H 1 99 ALA H . . 4.120 2.309 2.204 2.516 . 0 0 "[ . 1 . 2]" 1
132 1 63 ASP HA 1 99 ALA H . . 3.920 2.443 2.316 2.565 . 0 0 "[ . 1 . 2]" 1
133 1 84 VAL H 1 86 LYS H . . 4.600 3.964 3.812 4.112 . 0 0 "[ . 1 . 2]" 1
134 1 73 PHE HZ 1 84 VAL H . . 4.680 3.896 3.681 4.046 . 0 0 "[ . 1 . 2]" 1
135 1 81 ALA HA 1 84 VAL H . . 4.020 3.657 3.543 3.854 . 0 0 "[ . 1 . 2]" 1
136 1 83 ASN HB2 1 84 VAL H . . 3.910 3.727 2.979 3.896 . 0 0 "[ . 1 . 2]" 1
137 1 84 VAL H 1 84 VAL HB . . 3.380 2.331 2.277 2.409 . 0 0 "[ . 1 . 2]" 1
138 1 84 VAL H 1 84 VAL QG . . 3.030 2.183 2.042 2.278 . 0 0 "[ . 1 . 2]" 1
139 1 81 ALA MB 1 84 VAL H . . 4.820 4.800 4.686 4.925 0.105 13 0 "[ . 1 . 2]" 1
140 1 84 VAL H 1 85 LEU MD1 . . 5.440 5.181 4.950 5.399 . 0 0 "[ . 1 . 2]" 1
141 1 76 LEU MD2 1 84 VAL H . . 5.260 5.061 4.889 5.226 . 0 0 "[ . 1 . 2]" 1
142 1 77 ASP H 1 81 ALA MB . . 5.100 3.076 2.887 3.178 . 0 0 "[ . 1 . 2]" 1
143 1 16 GLU H 1 16 GLU HG3 . . 3.830 2.855 2.618 3.867 0.037 20 0 "[ . 1 . 2]" 1
144 1 16 GLU H 1 16 GLU QB . . 3.260 3.065 2.335 3.406 0.146 12 0 "[ . 1 . 2]" 1
145 1 15 LYS HB3 1 16 GLU H . . 4.410 3.241 2.334 4.465 0.055 20 0 "[ . 1 . 2]" 1
146 1 15 LYS HG2 1 16 GLU H . . 5.050 4.063 3.536 5.252 0.202 17 0 "[ . 1 . 2]" 1
147 1 43 ILE MD 1 78 HIS H . . 5.110 3.814 3.616 3.943 . 0 0 "[ . 1 . 2]" 1
148 1 21 ILE HG12 1 22 SER H . . 5.290 5.033 4.925 5.360 0.070 19 0 "[ . 1 . 2]" 1
149 1 45 ILE H 1 63 ASP H . . 4.740 4.048 3.802 4.211 . 0 0 "[ . 1 . 2]" 1
150 1 44 PHE QD 1 45 ILE H . . 4.620 4.573 4.350 4.656 0.036 18 0 "[ . 1 . 2]" 1
151 1 45 ILE H 1 64 GLN HA . . 4.620 3.485 3.241 3.681 . 0 0 "[ . 1 . 2]" 1
152 1 45 ILE H 1 61 ILE HA . . 5.330 4.408 4.135 4.603 . 0 0 "[ . 1 . 2]" 1
153 1 44 PHE HB2 1 45 ILE H . . 4.570 3.939 3.663 4.174 . 0 0 "[ . 1 . 2]" 1
154 1 45 ILE H 1 45 ILE HB . . 3.550 2.205 2.171 2.238 . 0 0 "[ . 1 . 2]" 1
155 1 45 ILE H 1 45 ILE HG13 . . 3.760 2.562 2.432 2.789 . 0 0 "[ . 1 . 2]" 1
156 1 45 ILE H 1 45 ILE HG12 . . 4.050 3.623 3.438 3.840 . 0 0 "[ . 1 . 2]" 1
157 1 45 ILE H 1 45 ILE MG . . 4.150 3.630 3.610 3.651 . 0 0 "[ . 1 . 2]" 1
158 1 21 ILE H 1 92 THR H . . 4.990 4.996 4.913 5.041 0.051 20 0 "[ . 1 . 2]" 1
159 1 69 ASN HD22 1 92 THR H . . 5.070 4.254 3.980 4.447 . 0 0 "[ . 1 . 2]" 1
160 1 69 ASN HD21 1 92 THR H . . 4.420 4.409 4.198 4.468 0.048 16 0 "[ . 1 . 2]" 1
161 1 91 LEU HB3 1 92 THR H . . 4.740 2.880 2.600 2.993 . 0 0 "[ . 1 . 2]" 1
162 1 91 LEU HB2 1 92 THR H . . 4.470 3.919 3.610 4.028 . 0 0 "[ . 1 . 2]" 1
163 1 78 HIS H 1 78 HIS HB2 . . 3.770 2.492 2.392 2.596 . 0 0 "[ . 1 . 2]" 1
164 1 78 HIS H 1 78 HIS HB3 . . 3.770 2.465 2.361 2.561 . 0 0 "[ . 1 . 2]" 1
165 1 77 ASP HB2 1 78 HIS H . . 3.950 3.793 3.751 3.823 . 0 0 "[ . 1 . 2]" 1
166 1 14 ASN HB3 1 15 LYS H . . 4.890 2.508 1.968 4.208 . 0 0 "[ . 1 . 2]" 1
167 1 15 LYS H 1 15 LYS HB3 . . 3.800 3.105 2.396 3.682 . 0 0 "[ . 1 . 2]" 1
168 1 15 LYS H 1 15 LYS HG2 . . 4.600 3.349 2.012 4.545 . 0 0 "[ . 1 . 2]" 1
169 1 15 LYS H 1 15 LYS HG3 . . 4.540 3.535 2.288 4.379 . 0 0 "[ . 1 . 2]" 1
170 1 15 LYS H 1 97 ALA MB . . 5.300 4.911 4.132 5.321 0.021 7 0 "[ . 1 . 2]" 1
171 1 29 LEU HA 1 53 LEU H . . 5.030 2.814 1.978 3.399 . 0 0 "[ . 1 . 2]" 1
172 1 13 GLU H 1 13 GLU HG2 . . 4.730 4.206 1.966 4.989 0.259 4 0 "[ . 1 . 2]" 1
173 1 13 GLU H 1 13 GLU HB3 . . 4.000 3.540 2.908 4.095 0.095 11 0 "[ . 1 . 2]" 1
174 1 12 ARG HB3 1 13 GLU H . . 5.370 3.674 2.563 4.390 . 0 0 "[ . 1 . 2]" 1
175 1 65 ILE HB 1 66 VAL H . . 5.070 4.463 4.418 4.515 . 0 0 "[ . 1 . 2]" 1
176 1 74 SER H 1 76 LEU H . . 4.970 4.190 3.861 4.548 . 0 0 "[ . 1 . 2]" 1
177 1 76 LEU H 1 77 ASP H . . 4.470 4.400 4.373 4.436 . 0 0 "[ . 1 . 2]" 1
178 1 75 ASN H 1 76 LEU H . . 3.440 2.866 1.892 3.242 . 0 0 "[ . 1 . 2]" 1
179 1 75 ASN HA 1 76 LEU H . . 3.420 2.759 2.639 3.062 . 0 0 "[ . 1 . 2]" 1
180 1 73 PHE HA 1 76 LEU H . . 3.990 3.412 2.911 3.711 . 0 0 "[ . 1 . 2]" 1
181 1 74 SER HA 1 76 LEU H . . 4.730 4.445 4.162 4.732 0.002 8 0 "[ . 1 . 2]" 1
182 1 75 ASN HB2 1 76 LEU H . . 4.630 4.422 4.307 4.595 . 0 0 "[ . 1 . 2]" 1
183 1 75 ASN HB3 1 76 LEU H . . 4.770 4.540 4.379 4.741 . 0 0 "[ . 1 . 2]" 1
184 1 76 LEU H 1 76 LEU HG . . 3.610 3.441 3.284 3.559 . 0 0 "[ . 1 . 2]" 1
185 1 76 LEU H 1 76 LEU HB3 . . 3.330 3.336 3.282 3.363 0.033 13 0 "[ . 1 . 2]" 1
186 1 76 LEU H 1 76 LEU HB2 . . 3.220 2.107 2.062 2.165 . 0 0 "[ . 1 . 2]" 1
187 1 76 LEU H 1 76 LEU MD2 . . 3.990 3.993 3.895 4.085 0.095 17 0 "[ . 1 . 2]" 1
188 1 76 LEU H 1 76 LEU MD1 . . 4.030 4.097 4.029 4.163 0.133 2 0 "[ . 1 . 2]" 1
189 1 64 GLN H 1 98 ALA H . . 4.620 4.219 4.037 4.407 . 0 0 "[ . 1 . 2]" 1
190 1 97 ALA MB 1 98 ALA H . . 3.880 3.623 3.605 3.641 . 0 0 "[ . 1 . 2]" 1
191 1 19 VAL H 1 92 THR MG . . 5.350 3.666 3.321 4.015 . 0 0 "[ . 1 . 2]" 1
192 1 19 VAL H 1 20 PHE H . . 5.320 4.303 4.136 4.472 . 0 0 "[ . 1 . 2]" 1
193 1 18 LYS H 1 19 VAL H . . 4.940 4.444 4.307 4.560 . 0 0 "[ . 1 . 2]" 1
194 1 19 VAL H 1 93 ILE HB . . 4.430 3.891 3.647 4.264 . 0 0 "[ . 1 . 2]" 1
195 1 18 LYS QD 1 19 VAL H . . 4.380 3.976 3.374 4.365 . 0 0 "[ . 1 . 2]" 1
196 1 18 LYS HG2 1 19 VAL H . . 4.690 2.660 2.187 3.017 . 0 0 "[ . 1 . 2]" 1
197 1 18 LYS HG3 1 19 VAL H . . 4.890 4.256 3.886 4.679 . 0 0 "[ . 1 . 2]" 1
198 1 29 LEU H 1 29 LEU MD1 . . 5.160 3.928 3.698 4.236 . 0 0 "[ . 1 . 2]" 1
199 1 101 ARG H 1 102 GLU H . . 3.200 2.535 2.452 2.665 . 0 0 "[ . 1 . 2]" 1
200 1 62 GLY HA3 1 101 ARG H . . 4.070 3.663 3.376 3.963 . 0 0 "[ . 1 . 2]" 1
201 1 98 ALA HA 1 101 ARG H . . 4.190 4.173 4.088 4.214 0.024 8 0 "[ . 1 . 2]" 1
202 1 62 GLY HA2 1 101 ARG H . . 4.740 3.885 3.652 4.108 . 0 0 "[ . 1 . 2]" 1
203 1 101 ARG H 1 101 ARG QD . . 4.500 4.425 3.831 4.567 0.067 17 0 "[ . 1 . 2]" 1
204 1 101 ARG H 1 101 ARG QB . . 3.330 2.112 2.003 2.715 . 0 0 "[ . 1 . 2]" 1
205 1 101 ARG H 1 101 ARG QG . . 4.070 3.215 1.851 3.554 . 0 0 "[ . 1 . 2]" 1
206 1 98 ALA MB 1 101 ARG H . . 4.480 3.676 3.443 3.914 . 0 0 "[ . 1 . 2]" 1
207 1 60 GLU HG3 1 61 ILE H . . 4.940 4.894 4.353 4.999 0.059 5 0 "[ . 1 . 2]" 1
208 1 60 GLU HB3 1 61 ILE H . . 3.790 2.392 2.228 3.250 . 0 0 "[ . 1 . 2]" 1
209 1 60 GLU HB2 1 61 ILE H . . 4.180 3.378 2.326 3.585 . 0 0 "[ . 1 . 2]" 1
210 1 61 ILE H 1 61 ILE HB . . 3.120 2.345 2.223 2.439 . 0 0 "[ . 1 . 2]" 1
211 1 48 VAL QG 1 61 ILE H . . 3.700 3.385 2.993 3.674 . 0 0 "[ . 1 . 2]" 1
212 1 53 LEU HA 1 56 GLU H . . 3.840 3.710 3.599 3.843 0.003 8 0 "[ . 1 . 2]" 1
213 1 56 GLU H 1 56 GLU HG2 . . 3.650 2.194 1.929 2.387 . 0 0 "[ . 1 . 2]" 1
214 1 56 GLU H 1 56 GLU HB3 . . 3.170 2.589 2.386 2.878 . 0 0 "[ . 1 . 2]" 1
215 1 56 GLU H 1 57 VAL MG1 . . 4.990 4.034 3.395 4.458 . 0 0 "[ . 1 . 2]" 1
216 1 56 GLU H 1 57 VAL MG2 . . 4.340 4.050 3.671 4.347 0.007 8 0 "[ . 1 . 2]" 1
217 1 48 VAL QG 1 56 GLU H . . 4.970 4.722 4.570 4.858 . 0 0 "[ . 1 . 2]" 1
218 1 59 LEU H 1 60 GLU H . . 4.620 4.608 4.572 4.640 0.020 3 0 "[ . 1 . 2]" 1
219 1 54 SER HA 1 59 LEU H . . 4.670 3.930 3.477 4.221 . 0 0 "[ . 1 . 2]" 1
220 1 59 LEU H 1 59 LEU HG . . 3.340 3.043 2.852 3.156 . 0 0 "[ . 1 . 2]" 1
221 1 59 LEU H 1 59 LEU HB2 . . 3.370 2.161 2.078 2.259 . 0 0 "[ . 1 . 2]" 1
222 1 59 LEU H 1 59 LEU HB3 . . 3.800 3.449 3.388 3.519 . 0 0 "[ . 1 . 2]" 1
223 1 57 VAL MG2 1 59 LEU H . . 3.620 2.193 1.892 2.607 . 0 0 "[ . 1 . 2]" 1
224 1 59 LEU H 1 59 LEU MD2 . . 3.820 3.892 3.825 3.962 0.142 18 0 "[ . 1 . 2]" 1
225 1 59 LEU H 1 59 LEU MD1 . . 3.860 3.847 3.646 3.909 0.049 20 0 "[ . 1 . 2]" 1
226 1 48 VAL QG 1 59 LEU H . . 4.590 3.837 3.484 4.064 . 0 0 "[ . 1 . 2]" 1
227 1 46 SER H 1 47 HIS H . . 3.280 1.995 1.903 2.128 . 0 0 "[ . 1 . 2]" 1
228 1 32 SER H 1 47 HIS H . . 3.670 2.420 2.253 2.589 . 0 0 "[ . 1 . 2]" 1
229 1 31 CYS HA 1 47 HIS H . . 4.400 4.282 4.134 4.414 0.014 16 0 "[ . 1 . 2]" 1
230 1 45 ILE HA 1 47 HIS H . . 4.090 3.981 3.893 4.105 0.015 13 0 "[ . 1 . 2]" 1
231 1 47 HIS H 1 47 HIS HB2 . . 4.070 3.341 3.242 3.413 . 0 0 "[ . 1 . 2]" 1
232 1 47 HIS H 1 47 HIS HB3 . . 4.090 2.972 2.872 3.067 . 0 0 "[ . 1 . 2]" 1
233 1 45 ILE MG 1 47 HIS H . . 3.310 2.286 2.147 2.553 . 0 0 "[ . 1 . 2]" 1
234 1 47 HIS H 1 48 VAL QG . . 4.360 3.866 3.616 4.215 . 0 0 "[ . 1 . 2]" 1
235 1 35 SER H 1 36 GLY H . . 4.930 4.543 4.410 4.632 . 0 0 "[ . 1 . 2]" 1
236 1 34 SER H 1 35 SER H . . 5.070 4.445 4.370 4.488 . 0 0 "[ . 1 . 2]" 1
237 1 35 SER H 1 78 HIS HD2 . . 4.560 3.969 3.323 4.528 . 0 0 "[ . 1 . 2]" 1
238 1 34 SER HA 1 35 SER H . . 3.130 2.492 2.303 2.579 . 0 0 "[ . 1 . 2]" 1
239 1 34 SER QB 1 35 SER H . . 3.300 2.821 2.558 3.152 . 0 0 "[ . 1 . 2]" 1
240 1 35 SER H 1 78 HIS HB2 . . 5.300 4.563 4.111 5.187 . 0 0 "[ . 1 . 2]" 1
241 1 35 SER H 1 43 ILE MD . . 4.930 4.793 4.289 4.956 0.026 8 0 "[ . 1 . 2]" 1
242 1 43 ILE H 1 44 PHE H . . 5.250 4.277 4.106 4.422 . 0 0 "[ . 1 . 2]" 1
243 1 43 ILE H 1 64 GLN HE21 . . 4.570 2.844 2.553 2.985 . 0 0 "[ . 1 . 2]" 1
244 1 43 ILE H 1 73 PHE QD . . 5.070 4.903 4.476 5.081 0.011 15 0 "[ . 1 . 2]" 1
245 1 43 ILE H 1 44 PHE QD . . 5.250 3.920 3.683 4.260 . 0 0 "[ . 1 . 2]" 1
246 1 43 ILE H 1 64 GLN HE22 . . 4.970 4.522 4.271 4.667 . 0 0 "[ . 1 . 2]" 1
247 1 43 ILE H 1 43 ILE HB . . 3.600 2.598 2.481 2.754 . 0 0 "[ . 1 . 2]" 1
248 1 43 ILE H 1 64 GLN HG2 . . 5.010 3.282 2.946 3.445 . 0 0 "[ . 1 . 2]" 1
249 1 43 ILE H 1 64 GLN HG3 . . 4.790 2.870 2.648 3.392 . 0 0 "[ . 1 . 2]" 1
250 1 61 ILE H 1 62 GLY H . . 5.250 4.596 4.552 4.637 . 0 0 "[ . 1 . 2]" 1
251 1 60 GLU H 1 63 ASP HB2 . . 4.810 3.494 3.180 3.769 . 0 0 "[ . 1 . 2]" 1
252 1 60 GLU H 1 60 GLU HB3 . . 4.080 3.848 3.652 3.918 . 0 0 "[ . 1 . 2]" 1
253 1 60 GLU H 1 60 GLU HB2 . . 3.670 2.863 2.738 3.603 . 0 0 "[ . 1 . 2]" 1
254 1 59 LEU HG 1 60 GLU H . . 4.830 4.765 4.681 4.867 0.037 11 0 "[ . 1 . 2]" 1
255 1 59 LEU HB2 1 60 GLU H . . 4.360 4.282 4.184 4.360 0.000 6 0 "[ . 1 . 2]" 1
256 1 59 LEU HB3 1 60 GLU H . . 3.980 3.122 2.952 3.237 . 0 0 "[ . 1 . 2]" 1
257 1 59 LEU MD1 1 60 GLU H . . 4.790 4.735 4.560 4.819 0.029 10 0 "[ . 1 . 2]" 1
258 1 104 PHE H 1 105 MET H . . 3.510 2.949 2.034 3.518 0.008 18 0 "[ . 1 . 2]" 1
259 1 102 GLU HA 1 105 MET H . . 4.670 3.892 3.149 4.469 . 0 0 "[ . 1 . 2]" 1
260 1 104 PHE HB2 1 105 MET H . . 4.590 3.824 2.196 4.404 . 0 0 "[ . 1 . 2]" 1
261 1 105 MET H 1 105 MET HG2 . . 4.250 3.346 2.222 4.111 . 0 0 "[ . 1 . 2]" 1
262 1 104 PHE HB3 1 105 MET H . . 4.640 4.280 3.490 4.584 . 0 0 "[ . 1 . 2]" 1
263 1 105 MET H 1 105 MET HB2 . . 4.080 2.709 2.015 3.668 . 0 0 "[ . 1 . 2]" 1
264 1 105 MET H 1 105 MET HB3 . . 3.600 3.361 2.719 4.057 0.457 14 0 "[ . 1 . 2]" 1
265 1 84 VAL H 1 85 LEU H . . 3.450 2.510 2.436 2.660 . 0 0 "[ . 1 . 2]" 1
266 1 73 PHE HZ 1 85 LEU H . . 4.350 3.349 2.893 3.721 . 0 0 "[ . 1 . 2]" 1
267 1 73 PHE QE 1 85 LEU H . . 4.940 4.378 3.999 4.741 . 0 0 "[ . 1 . 2]" 1
268 1 83 ASN HA 1 85 LEU H . . 5.000 4.160 3.925 4.343 . 0 0 "[ . 1 . 2]" 1
269 1 82 VAL HA 1 85 LEU H . . 3.890 3.126 3.074 3.201 . 0 0 "[ . 1 . 2]" 1
270 1 84 VAL HB 1 85 LEU H . . 3.610 2.982 2.878 3.186 . 0 0 "[ . 1 . 2]" 1
271 1 85 LEU H 1 85 LEU HB2 . . 3.270 2.190 2.133 2.288 . 0 0 "[ . 1 . 2]" 1
272 1 85 LEU H 1 85 LEU HG . . 3.290 2.895 2.578 3.062 . 0 0 "[ . 1 . 2]" 1
273 1 85 LEU H 1 86 LYS QG . . 4.860 4.152 3.343 4.627 . 0 0 "[ . 1 . 2]" 1
274 1 85 LEU H 1 85 LEU HB3 . . 3.720 3.473 3.436 3.520 . 0 0 "[ . 1 . 2]" 1
275 1 82 VAL MG1 1 85 LEU H . . 4.520 4.266 4.017 4.418 . 0 0 "[ . 1 . 2]" 1
276 1 85 LEU H 1 85 LEU MD1 . . 3.810 3.663 3.474 3.812 0.002 8 0 "[ . 1 . 2]" 1
277 1 68 VAL MG1 1 85 LEU H . . 5.140 4.567 4.300 4.812 . 0 0 "[ . 1 . 2]" 1
278 1 73 PHE H 1 74 SER H . . 3.340 2.824 2.566 3.239 . 0 0 "[ . 1 . 2]" 1
279 1 72 ASP HA 1 74 SER H . . 3.920 3.361 3.201 3.723 . 0 0 "[ . 1 . 2]" 1
280 1 66 VAL HA 1 74 SER H . . 5.010 4.249 3.780 4.916 . 0 0 "[ . 1 . 2]" 1
281 1 74 SER H 1 74 SER QB . . 3.630 2.138 2.023 2.889 . 0 0 "[ . 1 . 2]" 1
282 1 73 PHE HB3 1 74 SER H . . 4.950 4.262 4.150 4.367 . 0 0 "[ . 1 . 2]" 1
283 1 72 ASP QB 1 74 SER H . . 4.700 3.550 3.308 3.738 . 0 0 "[ . 1 . 2]" 1
284 1 73 PHE HB2 1 74 SER H . . 4.610 4.041 3.836 4.327 . 0 0 "[ . 1 . 2]" 1
285 1 80 GLU H 1 81 ALA HA . . 5.060 5.029 4.932 5.071 0.011 13 0 "[ . 1 . 2]" 1
286 1 78 HIS HB3 1 80 GLU H . . 5.470 5.466 5.347 5.499 0.029 13 0 "[ . 1 . 2]" 1
287 1 77 ASP HB2 1 80 GLU H . . 4.540 3.650 3.566 3.696 . 0 0 "[ . 1 . 2]" 1
288 1 77 ASP HB3 1 80 GLU H . . 4.230 1.925 1.904 1.961 . 0 0 "[ . 1 . 2]" 1
289 1 80 GLU H 1 80 GLU HB2 . . 3.230 2.416 2.392 2.521 . 0 0 "[ . 1 . 2]" 1
290 1 79 LYS HB2 1 80 GLU H . . 3.290 3.029 2.831 4.273 0.983 11 2 "[ . 1+ .- 2]" 1
291 1 79 LYS HG3 1 80 GLU H . . 4.780 4.599 3.894 4.782 0.002 5 0 "[ . 1 . 2]" 1
292 1 79 LYS HG2 1 80 GLU H . . 4.770 4.501 3.118 4.766 . 0 0 "[ . 1 . 2]" 1
293 1 43 ILE MD 1 80 GLU H . . 5.390 5.083 4.918 5.260 . 0 0 "[ . 1 . 2]" 1
294 1 100 GLY HA2 1 103 LEU H . . 4.860 3.799 3.512 4.116 . 0 0 "[ . 1 . 2]" 1
295 1 101 ARG HA 1 103 LEU H . . 4.790 3.771 3.320 4.180 . 0 0 "[ . 1 . 2]" 1
296 1 100 GLY HA3 1 103 LEU H . . 5.280 3.873 3.676 4.162 . 0 0 "[ . 1 . 2]" 1
297 1 102 GLU HG3 1 103 LEU H . . 4.450 3.165 2.286 4.200 . 0 0 "[ . 1 . 2]" 1
298 1 102 GLU QB 1 103 LEU H . . 4.310 3.624 2.592 3.902 . 0 0 "[ . 1 . 2]" 1
299 1 103 LEU H 1 103 LEU HG . . 3.290 2.297 1.928 2.739 . 0 0 "[ . 1 . 2]" 1
300 1 103 LEU H 1 103 LEU HB2 . . 3.470 2.425 2.199 2.644 . 0 0 "[ . 1 . 2]" 1
301 1 103 LEU H 1 103 LEU MD2 . . 3.850 3.221 2.613 3.684 . 0 0 "[ . 1 . 2]" 1
302 1 103 LEU H 1 103 LEU MD1 . . 4.140 3.657 3.453 3.881 . 0 0 "[ . 1 . 2]" 1
303 1 31 CYS HA 1 32 SER H . . 3.180 2.347 2.292 2.537 . 0 0 "[ . 1 . 2]" 1
304 1 32 SER H 1 48 VAL HA . . 4.440 3.653 3.535 3.844 . 0 0 "[ . 1 . 2]" 1
305 1 31 CYS HB2 1 32 SER H . . 3.610 2.901 2.424 3.077 . 0 0 "[ . 1 . 2]" 1
306 1 32 SER H 1 47 HIS HB3 . . 4.280 3.300 2.951 3.662 . 0 0 "[ . 1 . 2]" 1
307 1 32 SER H 1 45 ILE MD . . 5.100 4.762 4.306 4.991 . 0 0 "[ . 1 . 2]" 1
308 1 32 SER H 1 48 VAL QG . . 4.820 3.915 3.324 4.394 . 0 0 "[ . 1 . 2]" 1
309 1 37 PRO HB2 1 38 ILE H . . 3.430 2.161 1.991 2.293 . 0 0 "[ . 1 . 2]" 1
310 1 37 PRO HB3 1 38 ILE H . . 3.790 3.166 3.112 3.213 . 0 0 "[ . 1 . 2]" 1
311 1 38 ILE H 1 38 ILE HB . . 3.190 2.708 2.686 2.751 . 0 0 "[ . 1 . 2]" 1
312 1 38 ILE H 1 38 ILE MD . . 4.530 4.267 4.210 4.327 . 0 0 "[ . 1 . 2]" 1
313 1 74 SER H 1 75 ASN H . . 4.040 2.598 2.366 2.852 . 0 0 "[ . 1 . 2]" 1
314 1 73 PHE HA 1 75 ASN H . . 4.950 3.961 3.113 4.723 . 0 0 "[ . 1 . 2]" 1
315 1 74 SER QB 1 75 ASN H . . 4.450 2.634 2.253 3.444 . 0 0 "[ . 1 . 2]" 1
316 1 75 ASN H 1 75 ASN HB3 . . 4.150 3.567 3.220 3.889 . 0 0 "[ . 1 . 2]" 1
317 1 75 ASN H 1 76 LEU HB2 . . 5.120 4.238 3.476 4.666 . 0 0 "[ . 1 . 2]" 1
318 1 83 ASN H 1 83 ASN QD . . 5.070 4.356 4.043 4.579 . 0 0 "[ . 1 . 2]" 1
319 1 80 GLU HA 1 83 ASN H . . 3.810 3.308 3.098 3.642 . 0 0 "[ . 1 . 2]" 1
320 1 79 LYS HA 1 83 ASN H . . 4.630 3.706 3.494 3.928 . 0 0 "[ . 1 . 2]" 1
321 1 83 ASN H 1 83 ASN HB2 . . 3.150 2.394 2.039 2.536 . 0 0 "[ . 1 . 2]" 1
322 1 83 ASN H 1 84 VAL HB . . 4.990 4.810 4.693 4.984 . 0 0 "[ . 1 . 2]" 1
323 1 82 VAL HB 1 83 ASN H . . 3.360 2.713 2.397 2.868 . 0 0 "[ . 1 . 2]" 1
324 1 83 ASN H 1 84 VAL QG . . 4.600 4.140 3.978 4.341 . 0 0 "[ . 1 . 2]" 1
325 1 82 VAL MG1 1 83 ASN H . . 3.680 3.233 2.819 3.527 . 0 0 "[ . 1 . 2]" 1
326 1 82 VAL MG2 1 83 ASN H . . 4.040 4.041 3.877 4.152 0.112 17 0 "[ . 1 . 2]" 1
327 1 102 GLU H 1 103 LEU H . . 3.790 2.648 2.467 2.918 . 0 0 "[ . 1 . 2]" 1
328 1 102 GLU H 1 104 PHE H . . 5.210 4.299 4.098 4.503 . 0 0 "[ . 1 . 2]" 1
329 1 102 GLU H 1 102 GLU QB . . 3.460 2.460 2.201 2.583 . 0 0 "[ . 1 . 2]" 1
330 1 80 GLU HA 1 82 VAL H . . 4.930 4.135 3.835 4.455 . 0 0 "[ . 1 . 2]" 1
331 1 82 VAL H 1 82 VAL HB . . 3.100 2.213 2.136 2.271 . 0 0 "[ . 1 . 2]" 1
332 1 81 ALA MB 1 82 VAL H . . 3.220 2.813 2.613 3.024 . 0 0 "[ . 1 . 2]" 1
333 1 33 ILE MD 1 82 VAL H . . 3.910 3.851 3.525 3.922 0.012 13 0 "[ . 1 . 2]" 1
334 1 78 HIS H 1 79 LYS H . . 4.030 2.577 2.545 2.588 . 0 0 "[ . 1 . 2]" 1
335 1 77 ASP HA 1 79 LYS H . . 4.710 3.941 3.925 3.989 . 0 0 "[ . 1 . 2]" 1
336 1 78 HIS HB3 1 79 LYS H . . 3.510 3.537 3.522 3.561 0.051 4 0 "[ . 1 . 2]" 1
337 1 77 ASP HB2 1 79 LYS H . . 4.420 3.831 3.798 3.844 . 0 0 "[ . 1 . 2]" 1
338 1 77 ASP HB3 1 79 LYS H . . 4.460 2.413 2.197 2.548 . 0 0 "[ . 1 . 2]" 1
339 1 79 LYS H 1 79 LYS HB2 . . 3.130 2.587 2.464 3.375 0.245 16 0 "[ . 1 . 2]" 1
340 1 79 LYS H 1 79 LYS QD . . 4.610 4.572 4.458 4.617 0.007 16 0 "[ . 1 . 2]" 1
341 1 79 LYS H 1 79 LYS HG3 . . 3.860 3.405 3.149 4.303 0.443 11 0 "[ . 1 . 2]" 1
342 1 34 SER H 1 44 PHE H . . 3.910 2.828 2.650 3.131 . 0 0 "[ . 1 . 2]" 1
343 1 34 SER H 1 46 SER H . . 4.520 4.364 4.092 4.547 0.027 19 0 "[ . 1 . 2]" 1
344 1 33 ILE H 1 34 SER H . . 5.030 4.513 4.468 4.553 . 0 0 "[ . 1 . 2]" 1
345 1 34 SER H 1 44 PHE QD . . 5.260 4.457 4.186 4.808 . 0 0 "[ . 1 . 2]" 1
346 1 34 SER H 1 45 ILE HA . . 4.620 3.657 3.471 3.821 . 0 0 "[ . 1 . 2]" 1
347 1 34 SER H 1 46 SER QB . . 5.170 3.780 3.442 4.256 . 0 0 "[ . 1 . 2]" 1
348 1 34 SER H 1 44 PHE HB2 . . 5.090 3.882 3.459 4.257 . 0 0 "[ . 1 . 2]" 1
349 1 33 ILE HB 1 34 SER H . . 3.600 2.894 2.748 2.981 . 0 0 "[ . 1 . 2]" 1
350 1 33 ILE HG12 1 34 SER H . . 5.220 5.211 5.116 5.245 0.025 19 0 "[ . 1 . 2]" 1
351 1 33 ILE MD 1 34 SER H . . 4.490 4.361 4.170 4.496 0.006 16 0 "[ . 1 . 2]" 1
352 1 45 ILE H 1 62 GLY H . . 4.800 3.222 2.975 3.447 . 0 0 "[ . 1 . 2]" 1
353 1 62 GLY H 1 63 ASP H . . 3.810 2.731 2.430 2.965 . 0 0 "[ . 1 . 2]" 1
354 1 62 GLY H 1 104 PHE QD . . 4.820 3.696 3.341 4.313 . 0 0 "[ . 1 . 2]" 1
355 1 62 GLY H 1 104 PHE QE . . 4.860 3.216 2.968 3.566 . 0 0 "[ . 1 . 2]" 1
356 1 45 ILE HB 1 62 GLY H . . 4.230 2.810 2.598 3.013 . 0 0 "[ . 1 . 2]" 1
357 1 61 ILE HB 1 62 GLY H . . 4.630 4.296 4.161 4.437 . 0 0 "[ . 1 . 2]" 1
358 1 61 ILE QG 1 62 GLY H . . 4.950 4.071 3.995 4.153 . 0 0 "[ . 1 . 2]" 1
359 1 32 SER HA 1 33 ILE H . . 3.140 2.292 2.259 2.312 . 0 0 "[ . 1 . 2]" 1
360 1 32 SER HB2 1 33 ILE H . . 4.360 4.410 4.375 4.469 0.109 19 0 "[ . 1 . 2]" 1
361 1 33 ILE H 1 33 ILE HG13 . . 3.660 2.422 2.226 2.517 . 0 0 "[ . 1 . 2]" 1
362 1 33 ILE H 1 33 ILE HG12 . . 3.530 2.353 2.188 2.486 . 0 0 "[ . 1 . 2]" 1
363 1 37 PRO HA 1 39 GLN H . . 4.760 4.312 4.214 4.419 . 0 0 "[ . 1 . 2]" 1
364 1 39 GLN H 1 41 PRO HD3 . . 5.060 3.723 3.699 3.766 . 0 0 "[ . 1 . 2]" 1
365 1 39 GLN H 1 39 GLN HG2 . . 4.070 1.962 1.944 2.071 . 0 0 "[ . 1 . 2]" 1
366 1 37 PRO HB3 1 39 GLN H . . 4.350 4.069 4.016 4.121 . 0 0 "[ . 1 . 2]" 1
367 1 39 GLN H 1 39 GLN QB . . 3.400 2.546 2.521 2.607 . 0 0 "[ . 1 . 2]" 1
368 1 38 ILE HB 1 39 GLN H . . 4.070 4.216 4.200 4.247 0.177 15 0 "[ . 1 . 2]" 1
369 1 38 ILE QG 1 39 GLN H . . 4.030 3.816 3.810 3.822 . 0 0 "[ . 1 . 2]" 1
370 1 38 ILE MG 1 39 GLN H . . 3.600 2.106 2.076 2.176 . 0 0 "[ . 1 . 2]" 1
371 1 101 ARG HA 1 104 PHE H . . 4.760 3.652 3.423 3.842 . 0 0 "[ . 1 . 2]" 1
372 1 104 PHE H 1 104 PHE HB2 . . 4.120 2.550 2.424 2.758 . 0 0 "[ . 1 . 2]" 1
373 1 104 PHE H 1 104 PHE HB3 . . 3.790 3.640 3.552 3.787 . 0 0 "[ . 1 . 2]" 1
374 1 103 LEU HB2 1 104 PHE H . . 4.250 2.997 2.560 3.440 . 0 0 "[ . 1 . 2]" 1
375 1 61 ILE MG 1 104 PHE H . . 5.050 4.070 3.872 4.378 . 0 0 "[ . 1 . 2]" 1
376 1 102 GLU QB 1 104 PHE H . . 5.160 4.880 4.652 5.145 . 0 0 "[ . 1 . 2]" 1
377 1 86 LYS HA 1 88 SER H . . 4.670 4.489 3.082 4.686 0.016 15 0 "[ . 1 . 2]" 1
378 1 87 SER HB2 1 88 SER H . . 4.930 3.434 2.711 3.811 . 0 0 "[ . 1 . 2]" 1
379 1 87 SER HB3 1 88 SER H . . 4.960 2.272 1.967 4.320 . 0 0 "[ . 1 . 2]" 1
380 1 88 SER H 1 88 SER QB . . 3.810 2.550 2.431 3.446 . 0 0 "[ . 1 . 2]" 1
381 1 88 SER H 1 91 LEU MD1 . . 5.090 2.673 2.329 3.378 . 0 0 "[ . 1 . 2]" 1
382 1 84 VAL HA 1 86 LYS H . . 5.080 4.288 4.085 4.497 . 0 0 "[ . 1 . 2]" 1
383 1 85 LEU HB2 1 86 LYS H . . 3.640 2.987 2.875 3.140 . 0 0 "[ . 1 . 2]" 1
384 1 86 LYS H 1 86 LYS HB3 . . 3.520 2.654 2.336 3.540 0.020 15 0 "[ . 1 . 2]" 1
385 1 85 LEU HB3 1 86 LYS H . . 4.310 3.652 3.473 3.874 . 0 0 "[ . 1 . 2]" 1
386 1 85 LEU MD1 1 86 LYS H . . 4.990 4.780 4.646 4.923 . 0 0 "[ . 1 . 2]" 1
387 1 89 ARG HB2 1 90 SER H . . 4.650 2.210 2.034 2.363 . 0 0 "[ . 1 . 2]" 1
388 1 90 SER H 1 91 LEU HG . . 5.310 4.041 3.934 4.144 . 0 0 "[ . 1 . 2]" 1
389 1 90 SER H 1 91 LEU H . . 5.300 4.435 4.372 4.515 . 0 0 "[ . 1 . 2]" 1
390 1 90 SER H 1 91 LEU MD2 . . 5.230 5.145 4.928 5.260 0.030 16 0 "[ . 1 . 2]" 1
391 1 87 SER H 1 87 SER HB2 . . 3.540 2.257 2.017 2.568 . 0 0 "[ . 1 . 2]" 1
392 1 87 SER H 1 87 SER HB3 . . 3.600 2.823 2.384 3.526 . 0 0 "[ . 1 . 2]" 1
393 1 86 LYS HB2 1 87 SER H . . 4.630 4.297 3.023 4.605 . 0 0 "[ . 1 . 2]" 1
394 1 86 LYS HB3 1 87 SER H . . 4.300 4.227 4.130 4.333 0.033 13 0 "[ . 1 . 2]" 1
395 1 86 LYS QD 1 87 SER H . . 5.190 5.082 4.520 5.383 0.193 18 0 "[ . 1 . 2]" 1
396 1 86 LYS QG 1 87 SER H . . 4.500 3.184 2.958 3.725 . 0 0 "[ . 1 . 2]" 1
397 1 84 VAL QG 1 87 SER H . . 4.830 4.121 4.005 4.309 . 0 0 "[ . 1 . 2]" 1
398 1 87 SER H 1 91 LEU MD1 . . 5.290 3.919 3.621 4.411 . 0 0 "[ . 1 . 2]" 1
399 1 87 SER H 1 91 LEU MD2 . . 4.560 3.909 3.620 4.576 0.016 15 0 "[ . 1 . 2]" 1
400 1 52 SER H 1 53 LEU H . . 4.970 4.404 4.104 4.571 . 0 0 "[ . 1 . 2]" 1
401 1 51 GLY H 1 52 SER H . . 4.270 2.449 1.885 3.145 . 0 0 "[ . 1 . 2]" 1
402 1 52 SER H 1 56 GLU H . . 5.140 3.920 3.060 4.580 . 0 0 "[ . 1 . 2]" 1
403 1 52 SER H 1 52 SER HG . . 3.750 2.835 1.959 3.639 . 0 0 "[ . 1 . 2]" 1
404 1 50 PRO HA 1 52 SER H . . 4.250 3.723 3.177 4.257 0.007 6 0 "[ . 1 . 2]" 1
405 1 52 SER H 1 52 SER HB3 . . 3.650 2.665 2.187 3.244 . 0 0 "[ . 1 . 2]" 1
406 1 49 LYS QB 1 52 SER H . . 4.470 3.852 3.376 4.276 . 0 0 "[ . 1 . 2]" 1
407 1 48 VAL QG 1 52 SER H . . 4.570 3.800 3.517 4.237 . 0 0 "[ . 1 . 2]" 1
408 1 36 GLY H 1 44 PHE QE . . 4.290 2.879 2.359 3.333 . 0 0 "[ . 1 . 2]" 1
409 1 36 GLY H 1 44 PHE QD . . 4.070 3.289 2.897 3.713 . 0 0 "[ . 1 . 2]" 1
410 1 36 GLY H 1 37 PRO HD2 . . 5.010 4.845 4.711 4.935 . 0 0 "[ . 1 . 2]" 1
411 1 36 GLY H 1 37 PRO HD3 . . 5.040 4.806 4.786 4.819 . 0 0 "[ . 1 . 2]" 1
412 1 80 GLU HA 1 83 ASN QD . . 4.810 3.895 3.272 4.489 . 0 0 "[ . 1 . 2]" 1
413 1 53 LEU H 1 54 SER H . . 4.010 2.402 2.227 2.670 . 0 0 "[ . 1 . 2]" 1
414 1 52 SER HB2 1 54 SER H . . 4.260 3.014 2.503 3.646 . 0 0 "[ . 1 . 2]" 1
415 1 29 LEU HA 1 54 SER H . . 4.380 3.964 3.246 4.392 0.012 6 0 "[ . 1 . 2]" 1
416 1 54 SER H 1 54 SER HG . . 3.510 2.168 1.941 2.775 . 0 0 "[ . 1 . 2]" 1
417 1 54 SER H 1 54 SER HB2 . . 3.930 3.131 2.650 3.450 . 0 0 "[ . 1 . 2]" 1
418 1 54 SER H 1 54 SER HB3 . . 4.070 3.466 3.214 3.641 . 0 0 "[ . 1 . 2]" 1
419 1 53 LEU HB2 1 54 SER H . . 4.120 3.881 3.550 4.249 0.129 4 0 "[ . 1 . 2]" 1
420 1 29 LEU HG 1 54 SER H . . 4.700 4.545 3.853 4.731 0.031 7 0 "[ . 1 . 2]" 1
421 1 53 LEU HB3 1 54 SER H . . 4.300 3.426 3.150 3.775 . 0 0 "[ . 1 . 2]" 1
422 1 54 SER H 1 55 ALA MB . . 4.930 3.815 3.734 3.894 . 0 0 "[ . 1 . 2]" 1
423 1 53 LEU QD 1 54 SER H . . 4.660 4.208 4.039 4.395 . 0 0 "[ . 1 . 2]" 1
424 1 29 LEU MD1 1 54 SER H . . 4.580 4.078 3.214 4.593 0.013 19 0 "[ . 1 . 2]" 1
425 1 21 ILE MD 1 54 SER H . . 4.680 3.842 3.511 4.471 . 0 0 "[ . 1 . 2]" 1
426 1 38 ILE MG 1 39 GLN HE21 . . 5.400 3.721 2.686 5.040 . 0 0 "[ . 1 . 2]" 1
427 1 31 CYS H 1 32 SER H . . 4.800 4.467 4.343 4.547 . 0 0 "[ . 1 . 2]" 1
428 1 31 CYS H 1 31 CYS HB3 . . 4.170 3.142 2.913 3.326 . 0 0 "[ . 1 . 2]" 1
429 1 29 LEU QB 1 31 CYS H . . 4.120 3.785 3.429 3.918 . 0 0 "[ . 1 . 2]" 1
430 1 31 CYS H 1 31 CYS HG . . 4.820 3.053 1.937 3.965 . 0 0 "[ . 1 . 2]" 1
431 1 29 LEU MD2 1 31 CYS H . . 4.080 2.578 2.017 3.186 . 0 0 "[ . 1 . 2]" 1
432 1 31 CYS H 1 54 SER HG . . 4.580 3.536 2.774 4.328 . 0 0 "[ . 1 . 2]" 1
433 1 29 LEU HG 1 31 CYS H . . 3.830 2.206 1.928 3.027 . 0 0 "[ . 1 . 2]" 1
434 1 69 ASN HD22 1 88 SER QB . . 4.970 3.276 3.091 3.612 . 0 0 "[ . 1 . 2]" 1
435 1 68 VAL MG1 1 69 ASN HD22 . . 5.210 5.200 5.126 5.231 0.021 9 0 "[ . 1 . 2]" 1
436 1 54 SER HA 1 57 VAL H . . 4.710 3.389 3.110 3.697 . 0 0 "[ . 1 . 2]" 1
437 1 56 GLU HB3 1 57 VAL H . . 4.100 4.115 4.055 4.157 0.057 3 0 "[ . 1 . 2]" 1
438 1 56 GLU HG3 1 57 VAL H . . 4.030 1.998 1.929 2.164 . 0 0 "[ . 1 . 2]" 1
439 1 56 GLU H 1 58 GLY H . . 5.080 3.774 3.448 3.910 . 0 0 "[ . 1 . 2]" 1
440 1 57 VAL HB 1 58 GLY H . . 5.080 4.198 4.069 4.357 . 0 0 "[ . 1 . 2]" 1
441 1 55 ALA MB 1 58 GLY H . . 5.080 4.198 3.989 4.592 . 0 0 "[ . 1 . 2]" 1
442 1 97 ALA H 1 98 ALA H . . 5.070 3.569 3.553 3.600 . 0 0 "[ . 1 . 2]" 1
443 1 96 VAL HA 1 97 ALA H . . 3.000 2.929 2.899 2.972 . 0 0 "[ . 1 . 2]" 1
444 1 96 VAL HB 1 97 ALA H . . 4.310 4.221 4.171 4.253 . 0 0 "[ . 1 . 2]" 1
445 1 96 VAL MG2 1 97 ALA H . . 4.250 4.319 4.307 4.337 0.087 17 0 "[ . 1 . 2]" 1
446 1 36 GLY H 1 42 GLY H . . 3.750 2.585 2.274 2.913 . 0 0 "[ . 1 . 2]" 1
447 1 42 GLY H 1 44 PHE QE . . 4.730 2.755 2.559 3.001 . 0 0 "[ . 1 . 2]" 1
448 1 42 GLY H 1 44 PHE QD . . 4.950 4.475 4.175 4.752 . 0 0 "[ . 1 . 2]" 1
449 1 35 SER HA 1 42 GLY H . . 4.860 4.211 3.724 4.647 . 0 0 "[ . 1 . 2]" 1
450 1 36 GLY HA2 1 42 GLY H . . 4.530 4.798 4.652 4.993 0.463 5 0 "[ . 1 . 2]" 1
451 1 41 PRO HB3 1 42 GLY H . . 4.040 3.708 3.691 3.730 . 0 0 "[ . 1 . 2]" 1
452 1 41 PRO HB2 1 42 GLY H . . 3.690 3.262 3.235 3.297 . 0 0 "[ . 1 . 2]" 1
453 1 68 VAL H 1 73 PHE H . . 4.980 3.852 3.655 3.958 . 0 0 "[ . 1 . 2]" 1
454 1 73 PHE H 1 73 PHE QD . . 4.370 2.751 2.715 2.844 . 0 0 "[ . 1 . 2]" 1
455 1 72 ASP QB 1 73 PHE H . . 4.520 4.006 3.935 4.024 . 0 0 "[ . 1 . 2]" 1
456 1 73 PHE H 1 73 PHE HB2 . . 3.660 2.021 1.979 2.063 . 0 0 "[ . 1 . 2]" 1
457 1 67 GLU HG2 1 73 PHE H . . 5.200 5.205 5.139 5.241 0.041 20 0 "[ . 1 . 2]" 1
458 1 67 GLU HG3 1 73 PHE H . . 5.500 4.258 4.087 4.389 . 0 0 "[ . 1 . 2]" 1
459 1 31 CYS HA 1 49 LYS H . . 4.480 3.197 2.867 3.541 . 0 0 "[ . 1 . 2]" 1
460 1 49 LYS H 1 49 LYS QB . . 3.500 2.074 2.006 2.187 . 0 0 "[ . 1 . 2]" 1
461 1 49 LYS H 1 49 LYS HG2 . . 4.150 4.155 3.565 4.440 0.290 16 0 "[ . 1 . 2]" 1
462 1 100 GLY H 1 101 ARG H . . 3.640 3.406 3.318 3.458 . 0 0 "[ . 1 . 2]" 1
463 1 44 PHE QE 1 100 GLY H . . 4.630 3.331 3.062 3.613 . 0 0 "[ . 1 . 2]" 1
464 1 44 PHE QD 1 100 GLY H . . 4.220 2.620 2.484 2.726 . 0 0 "[ . 1 . 2]" 1
465 1 92 THR H 1 93 ILE H . . 4.570 4.172 4.055 4.216 . 0 0 "[ . 1 . 2]" 1
466 1 21 ILE H 1 93 ILE H . . 5.360 3.348 3.236 3.487 . 0 0 "[ . 1 . 2]" 1
467 1 93 ILE H 1 94 SER HA . . 5.090 5.111 5.094 5.128 0.038 16 0 "[ . 1 . 2]" 1
468 1 19 VAL HB 1 93 ILE H . . 5.220 4.523 4.348 4.766 . 0 0 "[ . 1 . 2]" 1
469 1 93 ILE H 1 93 ILE HB . . 3.710 2.412 2.365 2.436 . 0 0 "[ . 1 . 2]" 1
470 1 93 ILE H 1 93 ILE HG13 . . 4.040 2.429 2.390 2.529 . 0 0 "[ . 1 . 2]" 1
471 1 93 ILE H 1 93 ILE HG12 . . 4.070 3.837 3.811 3.899 . 0 0 "[ . 1 . 2]" 1
472 1 69 ASN H 1 70 GLY H . . 3.800 2.719 2.653 2.855 . 0 0 "[ . 1 . 2]" 1
473 1 69 ASN HA 1 70 GLY H . . 3.440 3.065 2.937 3.146 . 0 0 "[ . 1 . 2]" 1
474 1 69 ASN HB2 1 70 GLY H . . 4.900 4.287 4.182 4.428 . 0 0 "[ . 1 . 2]" 1
475 1 69 ASN HB3 1 70 GLY H . . 5.280 4.123 4.019 4.231 . 0 0 "[ . 1 . 2]" 1
476 1 70 GLY H 1 71 VAL HB . . 5.240 4.509 4.407 4.692 . 0 0 "[ . 1 . 2]" 1
477 1 67 GLU HG3 1 70 GLY H . . 3.810 2.955 2.796 3.306 . 0 0 "[ . 1 . 2]" 1
478 1 70 GLY H 1 92 THR MG . . 5.310 4.371 3.877 4.953 . 0 0 "[ . 1 . 2]" 1
479 1 70 GLY H 1 71 VAL MG2 . . 4.810 3.906 3.799 3.995 . 0 0 "[ . 1 . 2]" 1
480 1 69 ASN H 1 71 VAL H . . 5.330 4.032 3.939 4.314 . 0 0 "[ . 1 . 2]" 1
481 1 68 VAL H 1 71 VAL H . . 3.720 2.098 1.865 2.433 . 0 0 "[ . 1 . 2]" 1
482 1 77 ASP H 1 80 GLU H . . 4.500 3.046 2.999 3.086 . 0 0 "[ . 1 . 2]" 1
483 1 79 LYS H 1 80 GLU H . . 3.160 1.970 1.916 2.003 . 0 0 "[ . 1 . 2]" 1
484 1 80 GLU H 1 81 ALA H . . 3.070 2.425 2.305 2.481 . 0 0 "[ . 1 . 2]" 1
485 1 83 ASN H 1 84 VAL H . . 3.460 2.729 2.612 2.911 . 0 0 "[ . 1 . 2]" 1
486 1 82 VAL H 1 83 ASN H . . 3.330 2.421 2.221 2.695 . 0 0 "[ . 1 . 2]" 1
487 1 83 ASN H 1 86 LYS H . . 4.370 4.436 4.372 4.590 0.220 13 0 "[ . 1 . 2]" 1
488 1 49 LYS H 1 52 SER HG . . 5.230 3.076 2.222 3.549 . 0 0 "[ . 1 . 2]" 1
489 1 55 ALA H 1 56 GLU H . . 3.320 2.575 2.420 2.787 . 0 0 "[ . 1 . 2]" 1
490 1 56 GLU H 1 57 VAL H . . 3.440 2.653 2.234 2.879 . 0 0 "[ . 1 . 2]" 1
491 1 56 GLU H 1 56 GLU HB2 . . 3.590 3.552 3.532 3.594 0.004 13 0 "[ . 1 . 2]" 1
492 1 17 LYS H 1 18 LYS H . . 4.650 4.487 4.345 4.548 . 0 0 "[ . 1 . 2]" 1
493 1 16 GLU H 1 17 LYS H . . 4.710 3.608 3.389 4.503 . 0 0 "[ . 1 . 2]" 1
494 1 33 ILE HG13 1 34 SER H . . 5.150 4.232 4.119 4.280 . 0 0 "[ . 1 . 2]" 1
495 1 37 PRO HG2 1 39 GLN H . . 4.230 3.321 3.272 3.352 . 0 0 "[ . 1 . 2]" 1
496 1 42 GLY H 1 43 ILE MD . . 5.450 4.451 4.160 4.678 . 0 0 "[ . 1 . 2]" 1
497 1 43 ILE HB 1 44 PHE H . . 5.290 4.363 4.269 4.473 . 0 0 "[ . 1 . 2]" 1
498 1 47 HIS HB3 1 48 VAL H . . 5.270 3.744 3.569 3.904 . 0 0 "[ . 1 . 2]" 1
499 1 52 SER H 1 55 ALA H . . 4.130 3.078 2.515 3.642 . 0 0 "[ . 1 . 2]" 1
500 1 57 VAL H 1 58 GLY H . . 3.360 2.265 2.121 2.346 . 0 0 "[ . 1 . 2]" 1
501 1 58 GLY H 1 59 LEU H . . 3.300 2.124 2.004 2.400 . 0 0 "[ . 1 . 2]" 1
502 1 57 VAL H 1 59 LEU H . . 4.320 3.544 3.228 3.827 . 0 0 "[ . 1 . 2]" 1
503 1 28 GLY H 1 53 LEU QD . . 5.500 3.497 2.392 4.202 . 0 0 "[ . 1 . 2]" 1
504 1 42 GLY H 1 43 ILE H . . 4.720 4.401 4.345 4.442 . 0 0 "[ . 1 . 2]" 1
505 1 43 ILE H 1 43 ILE HG13 . . 4.640 3.982 3.848 4.170 . 0 0 "[ . 1 . 2]" 1
506 1 32 SER H 1 46 SER H . . 4.540 3.500 3.188 3.832 . 0 0 "[ . 1 . 2]" 1
507 1 47 HIS H 1 48 VAL H . . 4.610 4.349 4.272 4.397 . 0 0 "[ . 1 . 2]" 1
508 1 45 ILE MG 1 48 VAL H . . 5.030 4.228 4.002 4.390 . 0 0 "[ . 1 . 2]" 1
509 1 48 VAL H 1 49 LYS H . . 5.500 4.176 4.044 4.341 . 0 0 "[ . 1 . 2]" 1
510 1 55 ALA H 1 57 VAL H . . 4.480 4.107 4.016 4.186 . 0 0 "[ . 1 . 2]" 1
511 1 58 GLY H 1 59 LEU HG . . 5.220 4.361 4.042 4.885 . 0 0 "[ . 1 . 2]" 1
512 1 54 SER HB3 1 59 LEU H . . 5.060 4.349 3.924 4.941 . 0 0 "[ . 1 . 2]" 1
513 1 69 ASN H 1 92 THR H . . 3.860 2.383 2.055 2.585 . 0 0 "[ . 1 . 2]" 1
514 1 70 GLY H 1 71 VAL H . . 3.610 2.315 2.239 2.479 . 0 0 "[ . 1 . 2]" 1
515 1 71 VAL H 1 72 ASP H . . 4.810 4.584 4.501 4.641 . 0 0 "[ . 1 . 2]" 1
516 1 68 VAL MG2 1 71 VAL H . . 5.500 4.612 4.467 4.764 . 0 0 "[ . 1 . 2]" 1
517 1 68 VAL MG1 1 71 VAL H . . 5.370 4.262 4.160 4.496 . 0 0 "[ . 1 . 2]" 1
518 1 73 PHE QD 1 74 SER H . . 5.170 4.719 4.666 4.788 . 0 0 "[ . 1 . 2]" 1
519 1 67 GLU HA 1 74 SER H . . 5.360 4.799 4.501 5.277 . 0 0 "[ . 1 . 2]" 1
520 1 74 SER H 1 76 LEU MD1 . . 5.500 4.699 4.302 5.018 . 0 0 "[ . 1 . 2]" 1
521 1 80 GLU H 1 83 ASN H . . 4.710 4.434 4.311 4.623 . 0 0 "[ . 1 . 2]" 1
522 1 81 ALA H 1 82 VAL H . . 3.300 2.480 2.445 2.553 . 0 0 "[ . 1 . 2]" 1
523 1 81 ALA H 1 83 ASN H . . 4.550 4.052 3.820 4.334 . 0 0 "[ . 1 . 2]" 1
524 1 73 PHE QE 1 84 VAL H . . 5.200 4.653 4.460 4.771 . 0 0 "[ . 1 . 2]" 1
525 1 80 GLU HA 1 84 VAL H . . 4.840 3.763 3.660 3.916 . 0 0 "[ . 1 . 2]" 1
526 1 85 LEU H 1 86 LYS H . . 3.430 2.397 2.239 2.477 . 0 0 "[ . 1 . 2]" 1
527 1 83 ASN H 1 85 LEU H . . 4.730 3.843 3.679 4.070 . 0 0 "[ . 1 . 2]" 1
528 1 87 SER H 1 88 SER H . . 3.460 3.038 2.603 3.359 . 0 0 "[ . 1 . 2]" 1
529 1 19 VAL H 1 93 ILE H . . 4.040 3.621 3.337 3.802 . 0 0 "[ . 1 . 2]" 1
530 1 64 GLN H 1 96 VAL H . . 3.900 3.150 3.051 3.266 . 0 0 "[ . 1 . 2]" 1
531 1 99 ALA H 1 101 ARG H . . 4.580 4.535 4.298 4.601 0.021 12 0 "[ . 1 . 2]" 1
532 1 103 LEU H 1 104 PHE H . . 3.410 2.715 2.373 2.988 . 0 0 "[ . 1 . 2]" 1
533 1 103 LEU MD1 1 104 PHE H . . 5.210 4.848 4.398 5.209 . 0 0 "[ . 1 . 2]" 1
534 1 103 LEU H 1 105 MET H . . 5.100 4.709 4.015 5.104 0.004 9 0 "[ . 1 . 2]" 1
535 1 39 GLN QB 1 40 LYS H . . 3.880 3.637 3.608 3.683 . 0 0 "[ . 1 . 2]" 1
536 1 21 ILE H 1 22 SER H . . 5.300 4.342 4.177 4.490 . 0 0 "[ . 1 . 2]" 1
537 1 46 SER H 1 46 SER QB . . 3.800 2.491 2.232 2.723 . 0 0 "[ . 1 . 2]" 1
538 1 101 ARG H 1 103 LEU H . . 4.810 4.147 4.021 4.537 . 0 0 "[ . 1 . 2]" 1
539 1 32 SER HA 1 47 HIS H . . 5.500 4.587 4.476 4.653 . 0 0 "[ . 1 . 2]" 1
540 1 45 ILE MD 1 47 HIS H . . 4.960 4.877 4.716 4.970 0.010 10 0 "[ . 1 . 2]" 1
541 1 47 HIS H 1 61 ILE QG . . 3.500 3.536 3.430 3.611 0.111 20 0 "[ . 1 . 2]" 1
542 1 45 ILE HB 1 47 HIS H . . 5.500 5.133 5.046 5.284 . 0 0 "[ . 1 . 2]" 1
543 1 31 CYS HB3 1 47 HIS H . . 5.470 5.434 5.144 5.551 0.081 20 0 "[ . 1 . 2]" 1
544 1 54 SER H 1 56 GLU H . . 5.020 3.642 3.516 3.765 . 0 0 "[ . 1 . 2]" 1
545 1 52 SER H 1 54 SER H . . 5.350 4.235 3.789 4.618 . 0 0 "[ . 1 . 2]" 1
546 1 15 LYS H 1 96 VAL MG1 . . 5.500 5.115 2.650 5.530 0.030 12 0 "[ . 1 . 2]" 1
547 1 13 GLU HB2 1 14 ASN H . . 5.500 4.164 2.659 4.725 . 0 0 "[ . 1 . 2]" 1
548 1 27 ARG HG3 1 28 GLY H . . 5.500 4.276 3.048 5.622 0.122 11 0 "[ . 1 . 2]" 1
549 1 31 CYS HG 1 32 SER H . . 5.370 4.539 4.077 5.379 0.009 20 0 "[ . 1 . 2]" 1
550 1 33 ILE H 1 45 ILE HA . . 5.460 4.800 4.693 4.993 . 0 0 "[ . 1 . 2]" 1
551 1 66 VAL H 1 96 VAL H . . 4.940 4.967 4.926 4.989 0.049 8 0 "[ . 1 . 2]" 1
552 1 17 LYS H 1 97 ALA H . . 5.300 3.416 3.277 3.710 . 0 0 "[ . 1 . 2]" 1
553 1 17 LYS H 1 95 ILE MD . . 5.170 3.798 3.562 4.111 . 0 0 "[ . 1 . 2]" 1
554 1 43 ILE MD 1 76 LEU H . . 4.780 4.472 3.988 4.779 . 0 0 "[ . 1 . 2]" 1
555 1 63 ASP H 1 98 ALA H . . 5.310 3.450 3.216 3.666 . 0 0 "[ . 1 . 2]" 1
556 1 95 ILE MG 1 98 ALA H . . 5.300 5.025 4.970 5.102 . 0 0 "[ . 1 . 2]" 1
557 1 108 ARG H 1 108 ARG HG2 . . 4.950 4.187 2.020 5.280 0.330 9 0 "[ . 1 . 2]" 1
558 1 68 VAL MG1 1 70 GLY H . . 5.500 4.464 4.383 4.653 . 0 0 "[ . 1 . 2]" 1
559 1 71 VAL MG1 1 73 PHE H . . 5.500 3.852 3.608 4.095 . 0 0 "[ . 1 . 2]" 1
560 1 75 ASN H 1 76 LEU MD1 . . 5.500 5.164 4.767 5.493 . 0 0 "[ . 1 . 2]" 1
561 1 75 ASN H 1 76 LEU HG . . 5.500 4.028 3.694 4.377 . 0 0 "[ . 1 . 2]" 1
562 1 76 LEU H 1 81 ALA MB . . 5.180 4.600 4.456 4.767 . 0 0 "[ . 1 . 2]" 1
563 1 66 VAL MG2 1 73 PHE H . . 5.500 4.894 4.780 4.987 . 0 0 "[ . 1 . 2]" 1
564 1 73 PHE H 1 76 LEU MD1 . . 5.500 3.968 3.730 4.139 . 0 0 "[ . 1 . 2]" 1
565 1 65 ILE MG 1 73 PHE H . . 5.500 4.297 4.057 4.619 . 0 0 "[ . 1 . 2]" 1
566 1 17 LYS H 1 17 LYS QE . . 5.500 4.369 3.937 4.809 . 0 0 "[ . 1 . 2]" 1
567 1 29 LEU H 1 53 LEU QD . . 5.500 2.520 1.884 3.676 . 0 0 "[ . 1 . 2]" 1
568 1 105 MET HB2 1 106 THR H . . 5.500 4.040 2.463 4.738 . 0 0 "[ . 1 . 2]" 1
569 1 105 MET HB3 1 106 THR H . . 5.500 3.810 2.277 4.727 . 0 0 "[ . 1 . 2]" 1
570 1 105 MET H 1 106 THR H . . 5.460 3.816 2.635 4.613 . 0 0 "[ . 1 . 2]" 1
571 1 30 GLY HA3 1 52 SER HB2 . . 3.960 2.374 1.994 2.719 . 0 0 "[ . 1 . 2]" 1
572 1 30 GLY HA3 1 49 LYS QB . . 4.300 2.463 1.967 3.079 . 0 0 "[ . 1 . 2]" 1
573 1 30 GLY HA3 1 49 LYS QD . . 4.560 3.117 1.997 3.753 . 0 0 "[ . 1 . 2]" 1
574 1 30 GLY HA2 1 52 SER HB2 . . 4.220 3.876 3.513 4.232 0.012 7 0 "[ . 1 . 2]" 1
575 1 30 GLY HA2 1 49 LYS QB . . 4.270 3.701 3.230 4.306 0.036 8 0 "[ . 1 . 2]" 1
576 1 21 ILE H 1 91 LEU HB3 . . 4.980 4.980 4.873 5.083 0.103 19 0 "[ . 1 . 2]" 1
577 1 68 VAL MG1 1 91 LEU HB3 . . 4.040 2.292 2.232 2.374 . 0 0 "[ . 1 . 2]" 1
578 1 68 VAL MG1 1 91 LEU HB2 . . 3.960 3.223 3.130 3.361 . 0 0 "[ . 1 . 2]" 1
579 1 21 ILE HB 1 91 LEU HB2 . . 4.340 3.528 3.232 3.812 . 0 0 "[ . 1 . 2]" 1
580 1 33 ILE MD 1 78 HIS HD2 . . 4.360 3.351 3.040 3.858 . 0 0 "[ . 1 . 2]" 1
581 1 33 ILE MD 1 82 VAL HA . . 3.530 3.409 3.184 3.539 0.009 20 0 "[ . 1 . 2]" 1
582 1 33 ILE MD 1 82 VAL HB . . 4.190 4.093 3.868 4.195 0.005 1 0 "[ . 1 . 2]" 1
583 1 33 ILE HB 1 33 ILE MD . . 3.350 2.121 2.004 2.227 . 0 0 "[ . 1 . 2]" 1
584 1 33 ILE MD 1 43 ILE MG . . 2.740 2.183 1.948 2.349 . 0 0 "[ . 1 . 2]" 1
585 1 33 ILE H 1 33 ILE MD . . 4.350 3.828 3.761 3.900 . 0 0 "[ . 1 . 2]" 1
586 1 33 ILE MD 1 73 PHE QE . . 4.400 4.158 3.950 4.375 . 0 0 "[ . 1 . 2]" 1
587 1 33 ILE HA 1 33 ILE MD . . 4.370 4.087 4.053 4.119 . 0 0 "[ . 1 . 2]" 1
588 1 33 ILE MD 1 78 HIS HA . . 4.320 3.035 2.639 3.375 . 0 0 "[ . 1 . 2]" 1
589 1 33 ILE MD 1 82 VAL MG2 . . 2.820 1.820 1.692 1.990 . 0 0 "[ . 1 . 2]" 1
590 1 51 GLY HA2 1 55 ALA MB . . 5.080 2.774 2.419 3.437 . 0 0 "[ . 1 . 2]" 1
591 1 24 VAL QG 1 25 GLY HA2 . . 4.860 4.166 3.365 4.833 . 0 0 "[ . 1 . 2]" 1
592 1 95 ILE H 1 95 ILE MD . . 4.280 3.666 3.634 3.712 . 0 0 "[ . 1 . 2]" 1
593 1 95 ILE MD 1 98 ALA H . . 4.780 2.917 2.736 3.025 . 0 0 "[ . 1 . 2]" 1
594 1 64 GLN H 1 95 ILE MD . . 4.460 4.320 3.942 4.471 0.011 3 0 "[ . 1 . 2]" 1
595 1 67 GLU HG3 1 70 GLY HA2 . . 5.030 2.789 2.691 2.944 . 0 0 "[ . 1 . 2]" 1
596 1 61 ILE H 1 61 ILE MD . . 3.780 3.162 3.022 3.334 . 0 0 "[ . 1 . 2]" 1
597 1 48 VAL H 1 61 ILE MD . . 3.720 3.625 3.406 3.746 0.026 19 0 "[ . 1 . 2]" 1
598 1 47 HIS HA 1 61 ILE MD . . 3.280 2.374 2.203 2.514 . 0 0 "[ . 1 . 2]" 1
599 1 61 ILE HA 1 61 ILE MD . . 3.990 3.841 3.794 3.864 . 0 0 "[ . 1 . 2]" 1
600 1 95 ILE MD 1 97 ALA H . . 4.210 2.020 1.873 2.247 . 0 0 "[ . 1 . 2]" 1
601 1 95 ILE MD 1 97 ALA HA . . 3.530 2.168 2.005 2.302 . 0 0 "[ . 1 . 2]" 1
602 1 63 ASP HB3 1 95 ILE MD . . 3.800 2.017 1.904 2.135 . 0 0 "[ . 1 . 2]" 1
603 1 44 PHE QE 1 100 GLY HA2 . . 4.540 3.880 3.660 4.049 . 0 0 "[ . 1 . 2]" 1
604 1 44 PHE QD 1 100 GLY HA2 . . 4.180 4.188 4.014 4.211 0.031 16 0 "[ . 1 . 2]" 1
605 1 100 GLY HA2 1 103 LEU HG . . 4.620 3.464 3.088 3.928 . 0 0 "[ . 1 . 2]" 1
606 1 70 GLY HA2 1 71 VAL MG2 . . 5.070 4.541 4.275 4.708 . 0 0 "[ . 1 . 2]" 1
607 1 67 GLU HG3 1 70 GLY HA3 . . 4.920 4.247 4.131 4.438 . 0 0 "[ . 1 . 2]" 1
608 1 44 PHE QE 1 100 GLY HA3 . . 4.340 2.512 2.309 2.707 . 0 0 "[ . 1 . 2]" 1
609 1 100 GLY HA3 1 103 LEU HG . . 4.700 2.902 2.569 3.304 . 0 0 "[ . 1 . 2]" 1
610 1 21 ILE H 1 21 ILE MD . . 4.570 3.758 2.828 3.954 . 0 0 "[ . 1 . 2]" 1
611 1 21 ILE HA 1 21 ILE MD . . 4.090 2.111 1.943 2.531 . 0 0 "[ . 1 . 2]" 1
612 1 21 ILE MD 1 57 VAL HB . . 4.910 3.939 3.476 4.315 . 0 0 "[ . 1 . 2]" 1
613 1 21 ILE MD 1 54 SER HA . . 3.770 2.225 1.952 2.597 . 0 0 "[ . 1 . 2]" 1
614 1 21 ILE MD 1 53 LEU HB2 . . 4.350 4.207 3.249 4.965 0.615 19 2 "[ . 1 - +2]" 1
615 1 45 ILE H 1 45 ILE MD . . 3.970 3.814 3.733 3.903 . 0 0 "[ . 1 . 2]" 1
616 1 45 ILE MD 1 60 GLU H . . 4.110 3.490 3.226 3.735 . 0 0 "[ . 1 . 2]" 1
617 1 45 ILE MD 1 63 ASP H . . 4.260 4.010 3.734 4.180 . 0 0 "[ . 1 . 2]" 1
618 1 45 ILE HA 1 45 ILE MD . . 3.820 3.705 3.639 3.734 . 0 0 "[ . 1 . 2]" 1
619 1 45 ILE MD 1 59 LEU HA . . 4.220 4.110 3.944 4.245 0.025 1 0 "[ . 1 . 2]" 1
620 1 45 ILE MD 1 63 ASP HB2 . . 3.400 2.556 2.412 2.685 . 0 0 "[ . 1 . 2]" 1
621 1 45 ILE MD 1 63 ASP HB3 . . 3.710 3.626 3.480 3.722 0.012 6 0 "[ . 1 . 2]" 1
622 1 45 ILE HB 1 45 ILE MD . . 3.420 2.373 2.322 2.481 . 0 0 "[ . 1 . 2]" 1
623 1 38 ILE HA 1 38 ILE MD . . 3.680 3.022 2.583 3.589 . 0 0 "[ . 1 . 2]" 1
624 1 36 GLY HA2 1 44 PHE QE . . 4.190 3.894 3.596 4.300 0.110 15 0 "[ . 1 . 2]" 1
625 1 62 GLY HA3 1 104 PHE QD . . 4.510 3.898 3.555 4.406 . 0 0 "[ . 1 . 2]" 1
626 1 62 GLY HA3 1 104 PHE QE . . 4.450 4.432 4.232 4.468 0.018 3 0 "[ . 1 . 2]" 1
627 1 62 GLY HA2 1 104 PHE QD . . 4.270 2.786 2.421 3.385 . 0 0 "[ . 1 . 2]" 1
628 1 62 GLY HA2 1 104 PHE QE . . 4.170 2.755 2.526 2.824 . 0 0 "[ . 1 . 2]" 1
629 1 61 ILE MG 1 62 GLY HA2 . . 4.690 3.282 3.185 3.439 . 0 0 "[ . 1 . 2]" 1
630 1 36 GLY HA2 1 44 PHE QD . . 4.370 4.089 3.741 4.250 . 0 0 "[ . 1 . 2]" 1
631 1 36 GLY HA3 1 44 PHE QE . . 4.300 2.498 2.199 2.862 . 0 0 "[ . 1 . 2]" 1
632 1 36 GLY HA3 1 44 PHE QD . . 4.470 3.653 3.259 3.876 . 0 0 "[ . 1 . 2]" 1
633 1 45 ILE H 1 65 ILE MD . . 4.660 4.401 3.664 4.674 0.014 7 0 "[ . 1 . 2]" 1
634 1 65 ILE MD 1 73 PHE QD . . 4.640 3.090 2.860 3.493 . 0 0 "[ . 1 . 2]" 1
635 1 65 ILE HA 1 65 ILE MD . . 3.960 3.864 3.713 3.912 . 0 0 "[ . 1 . 2]" 1
636 1 45 ILE HG13 1 65 ILE MD . . 3.800 3.207 2.707 3.487 . 0 0 "[ . 1 . 2]" 1
637 1 45 ILE HG12 1 65 ILE MD . . 3.730 3.607 3.218 3.743 0.013 5 0 "[ . 1 . 2]" 1
638 1 43 ILE MG 1 65 ILE MD . . 3.340 1.885 1.683 2.080 . 0 0 "[ . 1 . 2]" 1
639 1 65 ILE MD 1 68 VAL MG2 . . 3.940 3.283 2.953 3.902 . 0 0 "[ . 1 . 2]" 1
640 1 91 LEU HB2 1 93 ILE MD . . 3.600 3.569 3.455 3.623 0.023 17 0 "[ . 1 . 2]" 1
641 1 93 ILE H 1 93 ILE MD . . 4.280 3.205 3.102 3.285 . 0 0 "[ . 1 . 2]" 1
642 1 92 THR HA 1 93 ILE MD . . 4.650 4.641 4.570 4.720 0.070 15 0 "[ . 1 . 2]" 1
643 1 93 ILE HA 1 93 ILE MD . . 4.210 3.881 3.861 3.890 . 0 0 "[ . 1 . 2]" 1
644 1 19 VAL HB 1 93 ILE MD . . 4.700 4.181 3.948 4.618 . 0 0 "[ . 1 . 2]" 1
645 1 93 ILE HB 1 93 ILE MD . . 3.130 2.151 2.007 2.223 . 0 0 "[ . 1 . 2]" 1
646 1 68 VAL MG2 1 93 ILE MD . . 3.870 3.522 3.380 3.742 . 0 0 "[ . 1 . 2]" 1
647 1 76 LEU HB3 1 77 ASP H . . 4.280 1.914 1.898 1.929 . 0 0 "[ . 1 . 2]" 1
648 1 73 PHE HA 1 76 LEU HB3 . . 4.060 3.701 3.532 3.922 . 0 0 "[ . 1 . 2]" 1
649 1 76 LEU HB2 1 77 ASP H . . 4.260 3.487 3.473 3.508 . 0 0 "[ . 1 . 2]" 1
650 1 76 LEU HB2 1 80 GLU HB2 . . 4.650 4.691 4.675 4.712 0.062 20 0 "[ . 1 . 2]" 1
651 1 28 GLY HA2 1 53 LEU QD . . 4.480 2.955 2.187 3.355 . 0 0 "[ . 1 . 2]" 1
652 1 28 GLY HA3 1 53 LEU QD . . 4.600 4.181 3.547 4.443 . 0 0 "[ . 1 . 2]" 1
653 1 42 GLY HA2 1 64 GLN HE21 . . 4.590 3.535 3.305 3.751 . 0 0 "[ . 1 . 2]" 1
654 1 42 GLY HA2 1 44 PHE QE . . 4.820 3.765 3.587 4.015 . 0 0 "[ . 1 . 2]" 1
655 1 42 GLY HA2 1 64 GLN HE22 . . 4.640 4.606 4.375 4.736 0.096 6 0 "[ . 1 . 2]" 1
656 1 42 GLY HA3 1 64 GLN HE21 . . 4.650 2.115 1.942 2.538 . 0 0 "[ . 1 . 2]" 1
657 1 42 GLY HA3 1 44 PHE QE . . 5.010 2.648 2.268 2.915 . 0 0 "[ . 1 . 2]" 1
658 1 42 GLY HA3 1 64 GLN HE22 . . 4.890 3.154 2.946 3.405 . 0 0 "[ . 1 . 2]" 1
659 1 44 PHE HB3 1 45 ILE H . . 3.990 3.115 2.739 3.414 . 0 0 "[ . 1 . 2]" 1
660 1 44 PHE HB3 1 104 PHE HZ . . 4.530 3.065 2.543 3.490 . 0 0 "[ . 1 . 2]" 1
661 1 62 GLY HA3 1 101 ARG QD . . 4.340 4.050 3.802 4.367 0.027 14 0 "[ . 1 . 2]" 1
662 1 27 ARG HD3 1 53 LEU HA . . 4.250 3.700 2.761 5.086 0.836 1 1 "[+ . 1 . 2]" 1
663 1 101 ARG QB 1 101 ARG QD . . 3.150 2.066 1.972 2.206 . 0 0 "[ . 1 . 2]" 1
664 1 98 ALA MB 1 101 ARG QD . . 3.380 2.591 1.935 3.025 . 0 0 "[ . 1 . 2]" 1
665 1 27 ARG HB2 1 27 ARG HD2 . . 4.000 2.738 2.048 4.118 0.118 17 0 "[ . 1 . 2]" 1
666 1 27 ARG HB3 1 27 ARG HD2 . . 3.410 2.759 2.243 4.129 0.719 1 1 "[+ . 1 . 2]" 1
667 1 89 ARG HA 1 89 ARG QD . . 3.840 2.124 1.979 2.487 . 0 0 "[ . 1 . 2]" 1
668 1 89 ARG HB3 1 89 ARG QD . . 3.640 2.374 2.249 2.464 . 0 0 "[ . 1 . 2]" 1
669 1 23 LEU QD 1 89 ARG QD . . 4.130 3.320 2.245 3.770 . 0 0 "[ . 1 . 2]" 1
670 1 28 GLY HA3 1 29 LEU QB . . 4.720 4.486 4.187 4.753 0.033 6 0 "[ . 1 . 2]" 1
671 1 17 LYS H 1 95 ILE HB . . 4.870 4.905 4.834 5.010 0.140 20 0 "[ . 1 . 2]" 1
672 1 64 GLN H 1 95 ILE HB . . 4.860 3.512 3.315 3.619 . 0 0 "[ . 1 . 2]" 1
673 1 95 ILE HB 1 97 ALA HA . . 4.870 4.016 3.932 4.122 . 0 0 "[ . 1 . 2]" 1
674 1 77 ASP H 1 77 ASP HB2 . . 3.490 3.119 3.014 3.174 . 0 0 "[ . 1 . 2]" 1
675 1 77 ASP HB3 1 78 HIS H . . 4.250 3.451 3.203 3.573 . 0 0 "[ . 1 . 2]" 1
676 1 77 ASP H 1 77 ASP HB3 . . 3.550 2.669 2.584 2.776 . 0 0 "[ . 1 . 2]" 1
677 1 15 LYS QE 1 15 LYS HG2 . . 3.710 2.541 2.052 3.298 . 0 0 "[ . 1 . 2]" 1
678 1 17 LYS QE 1 59 LEU MD2 . . 3.880 3.062 2.104 3.875 . 0 0 "[ . 1 . 2]" 1
679 1 49 LYS HA 1 49 LYS QE . . 4.610 4.150 3.500 4.456 . 0 0 "[ . 1 . 2]" 1
680 1 49 LYS QE 1 50 PRO HD3 . . 4.970 4.732 3.694 5.001 0.031 18 0 "[ . 1 . 2]" 1
681 1 30 GLY HA2 1 49 LYS QE . . 4.610 4.372 3.859 4.629 0.019 18 0 "[ . 1 . 2]" 1
682 1 49 LYS QE 1 50 PRO HD2 . . 4.770 4.170 2.287 4.950 0.180 16 0 "[ . 1 . 2]" 1
683 1 49 LYS QE 1 49 LYS HG3 . . 3.280 2.571 2.023 3.337 0.057 1 0 "[ . 1 . 2]" 1
684 1 86 LYS HB2 1 86 LYS QE . . 3.900 3.049 2.183 4.259 0.359 13 0 "[ . 1 . 2]" 1
685 1 82 VAL MG2 1 86 LYS QE . . 4.550 4.117 3.660 4.561 0.011 2 0 "[ . 1 . 2]" 1
686 1 86 LYS HA 1 86 LYS QE . . 4.780 4.475 4.241 4.830 0.050 18 0 "[ . 1 . 2]" 1
687 1 83 ASN HA 1 86 LYS QE . . 3.980 2.627 1.798 4.028 0.048 13 0 "[ . 1 . 2]" 1
688 1 86 LYS QE 1 86 LYS QG . . 3.250 2.236 1.978 2.527 . 0 0 "[ . 1 . 2]" 1
689 1 82 VAL MG1 1 86 LYS QE . . 3.630 1.871 1.664 2.383 . 0 0 "[ . 1 . 2]" 1
690 1 40 LYS HE2 1 44 PHE QE . . 4.700 2.700 2.178 3.072 . 0 0 "[ . 1 . 2]" 1
691 1 40 LYS HE2 1 44 PHE HZ . . 4.700 4.189 3.356 4.701 0.001 14 0 "[ . 1 . 2]" 1
692 1 40 LYS HE2 1 40 LYS HG2 . . 4.010 3.077 2.000 3.704 . 0 0 "[ . 1 . 2]" 1
693 1 40 LYS HE2 1 40 LYS HG3 . . 3.810 3.335 2.891 3.840 0.030 1 0 "[ . 1 . 2]" 1
694 1 40 LYS HE2 1 103 LEU MD2 . . 4.830 3.835 2.479 4.847 0.017 18 0 "[ . 1 . 2]" 1
695 1 40 LYS HE2 1 103 LEU MD1 . . 4.670 2.955 2.001 4.382 . 0 0 "[ . 1 . 2]" 1
696 1 40 LYS HE3 1 44 PHE QE . . 4.720 2.630 1.984 3.675 . 0 0 "[ . 1 . 2]" 1
697 1 40 LYS HE3 1 44 PHE HZ . . 4.530 3.608 2.897 4.595 0.065 17 0 "[ . 1 . 2]" 1
698 1 40 LYS HE3 1 100 GLY HA2 . . 4.420 3.636 2.581 4.642 0.222 5 0 "[ . 1 . 2]" 1
699 1 40 LYS HB3 1 40 LYS HE3 . . 4.260 4.523 4.271 5.130 0.870 9 6 "[ * .* -+1 .** 2]" 1
700 1 40 LYS HE3 1 40 LYS HG2 . . 4.150 2.897 2.222 3.473 . 0 0 "[ . 1 . 2]" 1
701 1 40 LYS HE3 1 40 LYS HG3 . . 3.810 2.725 2.060 3.449 . 0 0 "[ . 1 . 2]" 1
702 1 40 LYS HE3 1 103 LEU MD2 . . 4.930 4.540 3.960 4.833 . 0 0 "[ . 1 . 2]" 1
703 1 40 LYS HE3 1 103 LEU MD1 . . 4.650 3.636 2.771 4.677 0.027 14 0 "[ . 1 . 2]" 1
704 1 17 LYS HB2 1 17 LYS QE . . 4.110 3.726 3.435 3.922 . 0 0 "[ . 1 . 2]" 1
705 1 17 LYS QE 1 97 ALA MB . . 3.720 2.580 1.931 3.736 0.016 15 0 "[ . 1 . 2]" 1
706 1 17 LYS QE 1 17 LYS QG . . 3.130 2.030 1.932 2.269 . 0 0 "[ . 1 . 2]" 1
707 1 17 LYS QE 1 95 ILE MD . . 4.030 1.821 1.699 1.931 . 0 0 "[ . 1 . 2]" 1
708 1 53 LEU H 1 53 LEU HB2 . . 3.840 2.233 1.986 2.723 . 0 0 "[ . 1 . 2]" 1
709 1 29 LEU HA 1 53 LEU HB2 . . 4.000 2.442 1.985 3.307 . 0 0 "[ . 1 . 2]" 1
710 1 53 LEU H 1 53 LEU HB3 . . 4.140 2.863 2.363 3.322 . 0 0 "[ . 1 . 2]" 1
711 1 21 ILE MG 1 53 LEU HB3 . . 4.140 2.780 1.945 3.369 . 0 0 "[ . 1 . 2]" 1
712 1 21 ILE MD 1 53 LEU HB3 . . 4.920 2.876 1.914 3.726 . 0 0 "[ . 1 . 2]" 1
713 1 18 LYS QE 1 18 LYS HG3 . . 3.590 2.410 2.072 3.318 . 0 0 "[ . 1 . 2]" 1
714 1 18 LYS QE 1 92 THR MG . . 3.540 2.816 2.299 3.383 . 0 0 "[ . 1 . 2]" 1
715 1 79 LYS HB2 1 79 LYS QE . . 4.150 3.900 3.249 4.131 . 0 0 "[ . 1 . 2]" 1
716 1 79 LYS QE 1 79 LYS HG2 . . 3.740 2.597 1.974 2.984 . 0 0 "[ . 1 . 2]" 1
717 1 18 LYS QE 1 20 PHE QE . . 4.950 4.650 3.977 4.948 . 0 0 "[ . 1 . 2]" 1
718 1 18 LYS HA 1 18 LYS QE . . 4.720 4.562 3.595 4.739 0.019 17 0 "[ . 1 . 2]" 1
719 1 82 VAL MG1 1 85 LEU HB2 . . 4.650 3.639 3.280 3.817 . 0 0 "[ . 1 . 2]" 1
720 1 23 LEU HB2 1 89 ARG HA . . 3.840 2.047 1.979 2.227 . 0 0 "[ . 1 . 2]" 1
721 1 20 PHE HB3 1 21 ILE H . . 4.700 4.123 3.954 4.217 . 0 0 "[ . 1 . 2]" 1
722 1 20 PHE H 1 20 PHE HB3 . . 3.800 2.827 2.714 3.076 . 0 0 "[ . 1 . 2]" 1
723 1 72 ASP H 1 72 ASP QB . . 3.140 2.167 2.070 2.230 . 0 0 "[ . 1 . 2]" 1
724 1 63 ASP H 1 63 ASP HB2 . . 3.740 2.513 2.428 2.608 . 0 0 "[ . 1 . 2]" 1
725 1 45 ILE HB 1 63 ASP HB2 . . 4.410 2.992 2.895 3.102 . 0 0 "[ . 1 . 2]" 1
726 1 63 ASP HB2 1 95 ILE HB . . 4.710 4.106 3.910 4.361 . 0 0 "[ . 1 . 2]" 1
727 1 59 LEU MD2 1 63 ASP HB2 . . 4.070 2.563 2.313 2.797 . 0 0 "[ . 1 . 2]" 1
728 1 63 ASP HB2 1 95 ILE MD . . 4.240 3.309 3.102 3.443 . 0 0 "[ . 1 . 2]" 1
729 1 63 ASP H 1 63 ASP HB3 . . 3.900 3.553 3.543 3.566 . 0 0 "[ . 1 . 2]" 1
730 1 45 ILE HB 1 63 ASP HB3 . . 4.640 4.656 4.584 4.683 0.043 11 0 "[ . 1 . 2]" 1
731 1 45 ILE HG13 1 63 ASP HB3 . . 5.000 4.353 4.094 4.538 . 0 0 "[ . 1 . 2]" 1
732 1 48 VAL QG 1 59 LEU HB2 . . 4.650 3.172 2.672 3.493 . 0 0 "[ . 1 . 2]" 1
733 1 48 VAL QG 1 59 LEU HB3 . . 4.620 3.045 2.781 3.554 . 0 0 "[ . 1 . 2]" 1
734 1 103 LEU HB2 1 104 PHE QE . . 4.720 3.120 2.600 3.408 . 0 0 "[ . 1 . 2]" 1
735 1 103 LEU H 1 103 LEU HB3 . . 4.170 3.523 3.474 3.560 . 0 0 "[ . 1 . 2]" 1
736 1 103 LEU HB3 1 104 PHE H . . 4.510 3.898 3.561 4.224 . 0 0 "[ . 1 . 2]" 1
737 1 103 LEU HB3 1 104 PHE QE . . 4.900 4.036 3.665 4.414 . 0 0 "[ . 1 . 2]" 1
738 1 36 GLY H 1 43 ILE MD . . 4.440 4.284 3.996 4.456 0.016 6 0 "[ . 1 . 2]" 1
739 1 43 ILE MD 1 44 PHE H . . 3.960 3.670 3.493 3.906 . 0 0 "[ . 1 . 2]" 1
740 1 43 ILE H 1 43 ILE MD . . 4.150 3.909 3.763 4.067 . 0 0 "[ . 1 . 2]" 1
741 1 43 ILE MD 1 78 HIS HD2 . . 4.310 4.095 3.873 4.254 . 0 0 "[ . 1 . 2]" 1
742 1 35 SER HA 1 43 ILE MD . . 3.560 3.091 2.946 3.229 . 0 0 "[ . 1 . 2]" 1
743 1 43 ILE MD 1 77 ASP HA . . 4.430 3.340 2.896 3.639 . 0 0 "[ . 1 . 2]" 1
744 1 35 SER HB3 1 43 ILE MD . . 4.400 3.933 3.422 4.416 0.016 6 0 "[ . 1 . 2]" 1
745 1 43 ILE MD 1 78 HIS HA . . 3.310 2.722 2.586 2.862 . 0 0 "[ . 1 . 2]" 1
746 1 43 ILE MD 1 78 HIS HB2 . . 4.330 3.777 3.685 3.830 . 0 0 "[ . 1 . 2]" 1
747 1 20 PHE H 1 20 PHE QD . . 4.690 4.108 3.983 4.292 . 0 0 "[ . 1 . 2]" 1
748 1 103 LEU HB2 1 104 PHE QD . . 4.650 3.064 2.827 3.274 . 0 0 "[ . 1 . 2]" 1
749 1 46 SER HA 1 104 PHE QD . . 4.830 3.405 2.932 3.746 . 0 0 "[ . 1 . 2]" 1
750 1 104 PHE HA 1 104 PHE QD . . 3.760 2.968 2.798 3.197 . 0 0 "[ . 1 . 2]" 1
751 1 73 PHE H 1 73 PHE HB3 . . 4.070 3.325 3.276 3.358 . 0 0 "[ . 1 . 2]" 1
752 1 65 ILE HB 1 73 PHE QD . . 4.400 2.613 2.404 2.763 . 0 0 "[ . 1 . 2]" 1
753 1 61 ILE HB 1 61 ILE MD . . 3.500 2.237 2.100 2.326 . 0 0 "[ . 1 . 2]" 1
754 1 20 PHE QE 1 92 THR MG . . 4.780 3.786 3.021 4.175 . 0 0 "[ . 1 . 2]" 1
755 1 44 PHE HB3 1 104 PHE QE . . 4.240 2.085 1.984 2.557 . 0 0 "[ . 1 . 2]" 1
756 1 44 PHE HB2 1 104 PHE QE . . 4.340 2.735 2.375 3.177 . 0 0 "[ . 1 . 2]" 1
757 1 92 THR HB 1 93 ILE H . . 5.010 4.599 4.481 4.687 . 0 0 "[ . 1 . 2]" 1
758 1 69 ASN H 1 92 THR HB . . 3.910 2.790 2.624 2.966 . 0 0 "[ . 1 . 2]" 1
759 1 92 THR H 1 92 THR HB . . 3.470 2.389 2.220 2.640 . 0 0 "[ . 1 . 2]" 1
760 1 69 ASN HA 1 92 THR HB . . 4.070 2.241 1.997 2.464 . 0 0 "[ . 1 . 2]" 1
761 1 83 ASN HB3 1 84 VAL H . . 3.920 2.551 2.372 3.064 . 0 0 "[ . 1 . 2]" 1
762 1 83 ASN H 1 83 ASN HB3 . . 3.350 2.614 2.418 3.378 0.028 13 0 "[ . 1 . 2]" 1
763 1 80 GLU HA 1 83 ASN HB3 . . 3.650 2.642 2.308 3.626 . 0 0 "[ . 1 . 2]" 1
764 1 46 SER HA 1 104 PHE QE . . 4.340 2.730 2.253 3.189 . 0 0 "[ . 1 . 2]" 1
765 1 71 VAL HB 1 73 PHE QD . . 4.560 2.470 2.363 2.596 . 0 0 "[ . 1 . 2]" 1
766 1 68 VAL HB 1 73 PHE QD . . 4.560 3.030 2.688 3.282 . 0 0 "[ . 1 . 2]" 1
767 1 43 ILE HG13 1 73 PHE QD . . 4.180 2.813 2.550 2.922 . 0 0 "[ . 1 . 2]" 1
768 1 43 ILE MD 1 73 PHE QD . . 4.300 4.293 4.164 4.319 0.019 19 0 "[ . 1 . 2]" 1
769 1 73 PHE QE 1 76 LEU MD2 . . 4.930 4.426 4.337 4.528 . 0 0 "[ . 1 . 2]" 1
770 1 73 PHE QE 1 84 VAL HB . . 4.420 2.696 2.475 2.889 . 0 0 "[ . 1 . 2]" 1
771 1 65 ILE MD 1 73 PHE QE . . 4.390 3.372 3.004 3.909 . 0 0 "[ . 1 . 2]" 1
772 1 73 PHE QD 1 85 LEU MD1 . . 4.780 4.025 3.570 4.784 0.004 14 0 "[ . 1 . 2]" 1
773 1 73 PHE QD 1 76 LEU MD2 . . 4.710 4.435 4.392 4.502 . 0 0 "[ . 1 . 2]" 1
774 1 73 PHE HA 1 73 PHE QE . . 4.610 4.492 4.454 4.525 . 0 0 "[ . 1 . 2]" 1
775 1 67 GLU HG2 1 70 GLY H . . 4.090 2.313 2.189 2.491 . 0 0 "[ . 1 . 2]" 1
776 1 67 GLU HG2 1 71 VAL H . . 4.450 3.166 2.626 3.543 . 0 0 "[ . 1 . 2]" 1
777 1 67 GLU HG2 1 68 VAL H . . 3.940 2.329 2.303 2.385 . 0 0 "[ . 1 . 2]" 1
778 1 67 GLU HG2 1 94 SER HB2 . . 4.440 3.157 3.091 3.211 . 0 0 "[ . 1 . 2]" 1
779 1 66 VAL MG2 1 67 GLU HG2 . . 4.990 4.839 4.794 4.880 . 0 0 "[ . 1 . 2]" 1
780 1 67 GLU HG3 1 68 VAL H . . 3.830 2.337 2.149 2.611 . 0 0 "[ . 1 . 2]" 1
781 1 67 GLU HA 1 67 GLU HG3 . . 3.950 2.695 2.654 2.763 . 0 0 "[ . 1 . 2]" 1
782 1 67 GLU HG3 1 72 ASP HA . . 4.360 4.068 3.903 4.182 . 0 0 "[ . 1 . 2]" 1
783 1 67 GLU HG3 1 94 SER HB2 . . 4.440 4.435 4.368 4.476 0.036 15 0 "[ . 1 . 2]" 1
784 1 16 GLU HG3 1 17 LYS H . . 4.780 4.820 4.784 4.912 0.132 12 0 "[ . 1 . 2]" 1
785 1 16 GLU HA 1 16 GLU HG3 . . 4.010 2.602 2.488 3.202 . 0 0 "[ . 1 . 2]" 1
786 1 16 GLU HG3 1 66 VAL MG2 . . 4.520 4.562 4.361 5.518 0.998 12 1 "[ . 1 + . 2]" 1
787 1 16 GLU HG2 1 17 LYS H . . 4.690 4.523 3.561 4.838 0.148 12 0 "[ . 1 . 2]" 1
788 1 16 GLU H 1 16 GLU HG2 . . 3.890 3.916 3.818 4.013 0.123 20 0 "[ . 1 . 2]" 1
789 1 43 ILE HB 1 73 PHE QD . . 4.040 2.871 2.672 3.042 . 0 0 "[ . 1 . 2]" 1
790 1 43 ILE HB 1 65 ILE HB . . 4.270 2.113 1.998 2.263 . 0 0 "[ . 1 . 2]" 1
791 1 60 GLU HG2 1 61 ILE H . . 4.420 4.259 3.989 4.903 0.483 16 0 "[ . 1 . 2]" 1
792 1 60 GLU HA 1 60 GLU HG2 . . 3.900 2.542 2.338 3.431 . 0 0 "[ . 1 . 2]" 1
793 1 60 GLU H 1 60 GLU HG3 . . 4.320 3.022 2.408 3.342 . 0 0 "[ . 1 . 2]" 1
794 1 60 GLU HA 1 60 GLU HG3 . . 3.530 3.212 3.004 3.785 0.255 16 0 "[ . 1 . 2]" 1
795 1 45 ILE HB 1 48 VAL QG . . 4.870 4.124 3.731 4.632 . 0 0 "[ . 1 . 2]" 1
796 1 56 GLU HG2 1 57 VAL H . . 4.740 3.139 2.829 3.418 . 0 0 "[ . 1 . 2]" 1
797 1 53 LEU HA 1 56 GLU HG2 . . 4.370 1.965 1.938 1.993 . 0 0 "[ . 1 . 2]" 1
798 1 56 GLU HA 1 56 GLU HG2 . . 4.030 3.862 3.757 3.942 . 0 0 "[ . 1 . 2]" 1
799 1 53 LEU QD 1 56 GLU HG2 . . 4.870 2.814 2.518 3.229 . 0 0 "[ . 1 . 2]" 1
800 1 43 ILE HB 1 73 PHE HB3 . . 4.690 3.560 3.431 3.642 . 0 0 "[ . 1 . 2]" 1
801 1 55 ALA MB 1 56 GLU HG3 . . 5.100 5.084 4.882 5.232 0.132 19 0 "[ . 1 . 2]" 1
802 1 56 GLU H 1 56 GLU HG3 . . 3.920 2.725 2.300 3.239 . 0 0 "[ . 1 . 2]" 1
803 1 56 GLU HA 1 56 GLU HG3 . . 3.740 3.633 3.582 3.698 . 0 0 "[ . 1 . 2]" 1
804 1 52 SER HB2 1 53 LEU H . . 3.830 2.066 1.940 2.359 . 0 0 "[ . 1 . 2]" 1
805 1 49 LYS QB 1 52 SER HB2 . . 4.150 3.299 2.659 3.834 . 0 0 "[ . 1 . 2]" 1
806 1 34 SER H 1 34 SER QB . . 3.750 2.670 2.437 2.971 . 0 0 "[ . 1 . 2]" 1
807 1 34 SER QB 1 104 PHE QE . . 4.060 2.845 2.431 3.284 . 0 0 "[ . 1 . 2]" 1
808 1 34 SER QB 1 104 PHE HZ . . 4.000 2.968 2.298 3.534 . 0 0 "[ . 1 . 2]" 1
809 1 34 SER QB 1 46 SER QB . . 3.920 2.543 2.054 3.257 . 0 0 "[ . 1 . 2]" 1
810 1 52 SER HB3 1 53 LEU H . . 4.110 3.531 3.395 3.812 . 0 0 "[ . 1 . 2]" 1
811 1 52 SER HB3 1 54 SER H . . 4.830 3.998 3.912 4.094 . 0 0 "[ . 1 . 2]" 1
812 1 30 GLY HA3 1 52 SER HB3 . . 4.160 2.733 2.006 3.369 . 0 0 "[ . 1 . 2]" 1
813 1 77 ASP H 1 80 GLU HG2 . . 4.990 4.494 4.054 4.745 . 0 0 "[ . 1 . 2]" 1
814 1 80 GLU HG2 1 81 ALA H . . 4.850 4.594 4.268 4.817 . 0 0 "[ . 1 . 2]" 1
815 1 80 GLU H 1 80 GLU HG2 . . 3.730 2.696 2.292 3.066 . 0 0 "[ . 1 . 2]" 1
816 1 80 GLU HA 1 80 GLU HG2 . . 3.840 2.412 2.288 2.728 . 0 0 "[ . 1 . 2]" 1
817 1 77 ASP HB2 1 80 GLU HG2 . . 4.960 4.381 3.625 4.787 . 0 0 "[ . 1 . 2]" 1
818 1 77 ASP HB3 1 80 GLU HG2 . . 4.790 3.175 2.302 3.606 . 0 0 "[ . 1 . 2]" 1
819 1 77 ASP H 1 80 GLU HG3 . . 4.840 3.574 3.447 3.658 . 0 0 "[ . 1 . 2]" 1
820 1 80 GLU HG3 1 81 ALA H . . 4.850 4.641 4.466 4.797 . 0 0 "[ . 1 . 2]" 1
821 1 80 GLU HB2 1 80 GLU HG3 . . 2.800 2.281 2.264 2.325 . 0 0 "[ . 1 . 2]" 1
822 1 80 GLU H 1 80 GLU HG3 . . 3.720 2.928 2.550 3.242 . 0 0 "[ . 1 . 2]" 1
823 1 13 GLU HA 1 13 GLU HG2 . . 4.180 2.540 2.001 3.674 . 0 0 "[ . 1 . 2]" 1
824 1 77 ASP HB2 1 80 GLU HG3 . . 4.840 3.051 2.879 3.151 . 0 0 "[ . 1 . 2]" 1
825 1 77 ASP HB3 1 80 GLU HG3 . . 4.660 2.402 1.992 2.809 . 0 0 "[ . 1 . 2]" 1
826 1 13 GLU H 1 13 GLU HG3 . . 5.020 4.242 3.301 4.825 . 0 0 "[ . 1 . 2]" 1
827 1 20 PHE HZ 1 90 SER HB3 . . 4.550 4.080 3.600 5.077 0.527 1 1 "[+ . 1 . 2]" 1
828 1 69 ASN HB2 1 69 ASN HD22 . . 3.890 3.605 3.562 3.641 . 0 0 "[ . 1 . 2]" 1
829 1 69 ASN HB2 1 71 VAL MG2 . . 4.710 3.248 3.109 3.354 . 0 0 "[ . 1 . 2]" 1
830 1 69 ASN HB3 1 69 ASN HD22 . . 3.910 3.654 3.616 3.703 . 0 0 "[ . 1 . 2]" 1
831 1 102 GLU H 1 102 GLU HG2 . . 4.480 2.277 1.950 4.555 0.075 18 0 "[ . 1 . 2]" 1
832 1 102 GLU HG2 1 103 LEU H . . 4.840 2.591 2.114 4.231 . 0 0 "[ . 1 . 2]" 1
833 1 102 GLU HA 1 102 GLU HG2 . . 4.110 3.649 3.537 3.882 . 0 0 "[ . 1 . 2]" 1
834 1 102 GLU H 1 102 GLU HG3 . . 4.430 3.514 2.827 4.343 . 0 0 "[ . 1 . 2]" 1
835 1 102 GLU HA 1 102 GLU HG3 . . 4.040 3.860 2.952 4.105 0.065 10 0 "[ . 1 . 2]" 1
836 1 102 GLU HG3 1 103 LEU HG . . 4.750 3.590 2.811 4.791 0.041 18 0 "[ . 1 . 2]" 1
837 1 102 GLU HG3 1 103 LEU MD2 . . 4.270 3.063 2.246 3.951 . 0 0 "[ . 1 . 2]" 1
838 1 84 VAL HA 1 87 SER H . . 4.140 3.245 3.109 3.362 . 0 0 "[ . 1 . 2]" 1
839 1 83 ASN HA 1 84 VAL HA . . 4.770 4.787 4.760 4.849 0.079 14 0 "[ . 1 . 2]" 1
840 1 84 VAL HA 1 87 SER HB2 . . 3.870 2.133 1.971 2.539 . 0 0 "[ . 1 . 2]" 1
841 1 84 VAL HA 1 84 VAL QG . . 3.070 2.133 2.119 2.145 . 0 0 "[ . 1 . 2]" 1
842 1 82 VAL HA 1 86 LYS H . . 4.680 3.857 3.612 4.285 . 0 0 "[ . 1 . 2]" 1
843 1 82 VAL HA 1 85 LEU HB2 . . 3.240 2.134 2.002 2.473 . 0 0 "[ . 1 . 2]" 1
844 1 82 VAL HA 1 85 LEU HB3 . . 4.160 3.653 3.467 4.081 . 0 0 "[ . 1 . 2]" 1
845 1 82 VAL HA 1 82 VAL MG2 . . 2.960 2.215 2.108 2.340 . 0 0 "[ . 1 . 2]" 1
846 1 17 LYS HB2 1 18 LYS H . . 4.210 2.969 2.727 3.095 . 0 0 "[ . 1 . 2]" 1
847 1 17 LYS HB2 1 95 ILE MD . . 4.520 4.458 4.374 4.528 0.008 19 0 "[ . 1 . 2]" 1
848 1 17 LYS HB3 1 18 LYS H . . 4.170 4.155 4.039 4.218 0.048 16 0 "[ . 1 . 2]" 1
849 1 17 LYS HB3 1 95 ILE MD . . 4.500 4.091 3.912 4.351 . 0 0 "[ . 1 . 2]" 1
850 1 17 LYS HB3 1 17 LYS QE . . 4.980 3.358 2.742 4.183 . 0 0 "[ . 1 . 2]" 1
851 1 46 SER HA 1 104 PHE HZ . . 4.430 3.400 3.013 3.710 . 0 0 "[ . 1 . 2]" 1
852 1 44 PHE HB2 1 104 PHE HZ . . 4.400 2.195 1.973 2.611 . 0 0 "[ . 1 . 2]" 1
853 1 19 VAL H 1 19 VAL HB . . 4.140 3.633 3.539 3.785 . 0 0 "[ . 1 . 2]" 1
854 1 19 VAL HB 1 20 PHE H . . 3.870 3.413 2.595 3.660 . 0 0 "[ . 1 . 2]" 1
855 1 19 VAL HB 1 57 VAL HB . . 4.330 3.159 2.335 3.588 . 0 0 "[ . 1 . 2]" 1
856 1 19 VAL HB 1 93 ILE HB . . 4.140 3.786 3.576 4.056 . 0 0 "[ . 1 . 2]" 1
857 1 19 VAL HB 1 57 VAL MG1 . . 4.520 3.187 2.523 3.582 . 0 0 "[ . 1 . 2]" 1
858 1 19 VAL HB 1 59 LEU MD1 . . 4.380 3.197 2.605 3.552 . 0 0 "[ . 1 . 2]" 1
859 1 19 VAL HB 1 21 ILE MD . . 4.770 3.552 3.037 3.895 . 0 0 "[ . 1 . 2]" 1
860 1 68 VAL HB 1 73 PHE HZ . . 4.270 3.274 3.010 3.545 . 0 0 "[ . 1 . 2]" 1
861 1 68 VAL HB 1 73 PHE QE . . 4.090 2.488 2.426 2.578 . 0 0 "[ . 1 . 2]" 1
862 1 48 VAL H 1 48 VAL HB . . 3.870 3.041 2.569 3.598 . 0 0 "[ . 1 . 2]" 1
863 1 48 VAL HB 1 60 GLU HA . . 5.070 3.942 3.192 4.911 . 0 0 "[ . 1 . 2]" 1
864 1 18 LYS HB2 1 19 VAL H . . 4.570 4.378 4.165 4.572 0.002 12 0 "[ . 1 . 2]" 1
865 1 17 LYS HA 1 18 LYS HB2 . . 4.830 4.333 4.102 4.477 . 0 0 "[ . 1 . 2]" 1
866 1 18 LYS HB2 1 18 LYS QE . . 4.520 3.101 2.609 3.914 . 0 0 "[ . 1 . 2]" 1
867 1 18 LYS HB3 1 19 VAL H . . 4.360 4.297 4.043 4.426 0.066 13 0 "[ . 1 . 2]" 1
868 1 18 LYS H 1 18 LYS HB3 . . 3.970 2.527 2.431 2.841 . 0 0 "[ . 1 . 2]" 1
869 1 17 LYS HA 1 18 LYS HB3 . . 5.250 4.680 4.450 5.042 . 0 0 "[ . 1 . 2]" 1
870 1 18 LYS HB3 1 18 LYS QE . . 4.650 2.711 2.203 3.414 . 0 0 "[ . 1 . 2]" 1
871 1 18 LYS HB3 1 92 THR MG . . 4.560 4.293 4.122 4.498 . 0 0 "[ . 1 . 2]" 1
872 1 46 SER QB 1 104 PHE QD . . 4.850 3.646 3.336 3.913 . 0 0 "[ . 1 . 2]" 1
873 1 46 SER QB 1 104 PHE QE . . 4.150 2.446 1.967 2.957 . 0 0 "[ . 1 . 2]" 1
874 1 46 SER QB 1 104 PHE HZ . . 4.610 3.656 3.228 4.039 . 0 0 "[ . 1 . 2]" 1
875 1 45 ILE MG 1 46 SER QB . . 5.040 4.095 3.875 4.234 . 0 0 "[ . 1 . 2]" 1
876 1 60 GLU HB3 1 61 ILE HB . . 4.870 4.195 3.992 5.267 0.397 16 0 "[ . 1 . 2]" 1
877 1 32 SER HB3 1 33 ILE H . . 3.740 3.498 3.277 3.728 . 0 0 "[ . 1 . 2]" 1
878 1 32 SER HB3 1 47 HIS H . . 4.590 3.120 2.860 3.481 . 0 0 "[ . 1 . 2]" 1
879 1 32 SER HB3 1 47 HIS HB2 . . 4.430 4.448 4.411 4.507 0.077 20 0 "[ . 1 . 2]" 1
880 1 32 SER HB3 1 47 HIS HB3 . . 4.100 3.665 3.465 3.809 . 0 0 "[ . 1 . 2]" 1
881 1 32 SER HB2 1 47 HIS H . . 4.270 3.175 2.995 3.345 . 0 0 "[ . 1 . 2]" 1
882 1 32 SER H 1 32 SER HB2 . . 3.810 2.310 2.167 2.576 . 0 0 "[ . 1 . 2]" 1
883 1 32 SER HB2 1 47 HIS HB2 . . 4.000 3.973 3.515 4.029 0.029 10 0 "[ . 1 . 2]" 1
884 1 32 SER HB2 1 47 HIS HB3 . . 3.750 2.614 2.245 2.731 . 0 0 "[ . 1 . 2]" 1
885 1 69 ASN HD21 1 88 SER QB . . 4.030 3.552 3.313 3.665 . 0 0 "[ . 1 . 2]" 1
886 1 88 SER QB 1 91 LEU HG . . 4.790 2.744 2.556 2.991 . 0 0 "[ . 1 . 2]" 1
887 1 88 SER QB 1 91 LEU MD1 . . 4.780 3.285 2.895 3.605 . 0 0 "[ . 1 . 2]" 1
888 1 88 SER QB 1 91 LEU MD2 . . 3.500 2.572 2.239 2.905 . 0 0 "[ . 1 . 2]" 1
889 1 88 SER QB 1 90 SER H . . 3.860 3.439 3.212 3.788 . 0 0 "[ . 1 . 2]" 1
890 1 88 SER QB 1 91 LEU HA . . 4.790 4.562 4.316 4.620 . 0 0 "[ . 1 . 2]" 1
891 1 67 GLU HB2 1 73 PHE H . . 4.830 3.903 3.781 4.066 . 0 0 "[ . 1 . 2]" 1
892 1 66 VAL MG2 1 67 GLU HB2 . . 4.470 3.059 2.921 3.111 . 0 0 "[ . 1 . 2]" 1
893 1 67 GLU HB3 1 68 VAL HA . . 4.850 4.759 4.730 4.806 . 0 0 "[ . 1 . 2]" 1
894 1 67 GLU HB3 1 68 VAL H . . 4.820 3.979 3.922 4.078 . 0 0 "[ . 1 . 2]" 1
895 1 90 SER HB2 1 91 LEU H . . 4.170 4.028 3.459 4.185 0.015 12 0 "[ . 1 . 2]" 1
896 1 90 SER H 1 90 SER HB2 . . 4.170 2.993 2.646 3.542 . 0 0 "[ . 1 . 2]" 1
897 1 20 PHE QE 1 90 SER HB2 . . 3.900 2.609 2.000 3.290 . 0 0 "[ . 1 . 2]" 1
898 1 90 SER HB3 1 91 LEU H . . 4.110 3.803 3.502 4.164 0.054 1 0 "[ . 1 . 2]" 1
899 1 90 SER H 1 90 SER HB3 . . 3.860 3.457 2.961 3.620 . 0 0 "[ . 1 . 2]" 1
900 1 35 SER HB2 1 78 HIS HB2 . . 4.780 4.245 3.367 4.783 0.003 12 0 "[ . 1 . 2]" 1
901 1 35 SER HB2 1 43 ILE MD . . 4.300 4.199 3.067 4.437 0.137 19 0 "[ . 1 . 2]" 1
902 1 35 SER HB2 1 36 GLY H . . 4.030 3.296 2.902 4.186 0.156 19 0 "[ . 1 . 2]" 1
903 1 35 SER H 1 35 SER HB2 . . 3.800 3.455 2.371 3.677 . 0 0 "[ . 1 . 2]" 1
904 1 35 SER HB3 1 78 HIS HB2 . . 4.890 3.157 2.353 4.565 . 0 0 "[ . 1 . 2]" 1
905 1 35 SER HB3 1 36 GLY H . . 4.150 4.064 3.097 4.183 0.033 2 0 "[ . 1 . 2]" 1
906 1 35 SER H 1 35 SER HB3 . . 3.500 2.831 2.150 3.651 0.151 19 0 "[ . 1 . 2]" 1
907 1 84 VAL HA 1 87 SER HB3 . . 3.990 3.361 2.607 3.781 . 0 0 "[ . 1 . 2]" 1
908 1 38 ILE MG 1 39 GLN HG2 . . 4.820 3.623 3.581 3.788 . 0 0 "[ . 1 . 2]" 1
909 1 37 PRO HG2 1 39 GLN HG2 . . 4.900 2.018 1.988 2.064 . 0 0 "[ . 1 . 2]" 1
910 1 39 GLN H 1 39 GLN HG3 . . 4.210 3.405 3.311 3.585 . 0 0 "[ . 1 . 2]" 1
911 1 39 GLN HA 1 39 GLN HG3 . . 3.990 3.866 3.799 4.027 0.037 17 0 "[ . 1 . 2]" 1
912 1 38 ILE MG 1 39 GLN HG3 . . 4.980 4.966 4.939 4.984 0.004 5 0 "[ . 1 . 2]" 1
913 1 39 GLN HG3 1 40 LYS HB2 . . 4.550 2.682 2.384 3.204 . 0 0 "[ . 1 . 2]" 1
914 1 38 ILE HA 1 41 PRO HD3 . . 4.680 3.483 3.422 3.581 . 0 0 "[ . 1 . 2]" 1
915 1 38 ILE HA 1 38 ILE QG . . 3.930 2.561 2.404 2.666 . 0 0 "[ . 1 . 2]" 1
916 1 24 VAL H 1 24 VAL HB . . 4.020 3.776 3.626 3.896 . 0 0 "[ . 1 . 2]" 1
917 1 15 LYS HB2 1 16 GLU H . . 4.480 3.269 2.402 4.520 0.040 17 0 "[ . 1 . 2]" 1
918 1 37 PRO HA 1 38 ILE HA . . 4.600 4.226 4.215 4.242 . 0 0 "[ . 1 . 2]" 1
919 1 38 ILE HA 1 41 PRO HB3 . . 4.190 2.997 2.963 3.060 . 0 0 "[ . 1 . 2]" 1
920 1 38 ILE HA 1 41 PRO QG . . 4.110 2.741 2.627 2.940 . 0 0 "[ . 1 . 2]" 1
921 1 32 SER H 1 47 HIS HB2 . . 4.960 4.635 4.407 4.884 . 0 0 "[ . 1 . 2]" 1
922 1 47 HIS HB2 1 48 VAL H . . 4.910 3.999 3.852 4.133 . 0 0 "[ . 1 . 2]" 1
923 1 38 ILE HA 1 41 PRO HB2 . . 4.940 4.562 4.506 4.672 . 0 0 "[ . 1 . 2]" 1
924 1 86 LYS H 1 86 LYS HB2 . . 3.710 3.446 2.781 3.686 . 0 0 "[ . 1 . 2]" 1
925 1 86 LYS HB3 1 86 LYS QE . . 5.000 2.528 2.119 3.813 . 0 0 "[ . 1 . 2]" 1
926 1 82 VAL MG1 1 86 LYS HB3 . . 5.040 2.994 2.479 4.581 . 0 0 "[ . 1 . 2]" 1
927 1 49 LYS QB 1 52 SER HB3 . . 3.910 2.229 1.872 2.470 . 0 0 "[ . 1 . 2]" 1
928 1 49 LYS QB 1 52 SER HG . . 4.790 3.506 2.908 3.993 . 0 0 "[ . 1 . 2]" 1
929 1 37 PRO HD2 1 40 LYS HB2 . . 4.740 3.649 3.455 3.881 . 0 0 "[ . 1 . 2]" 1
930 1 40 LYS HB2 1 103 LEU MD1 . . 4.960 4.092 3.708 4.486 . 0 0 "[ . 1 . 2]" 1
931 1 50 PRO HA 1 51 GLY H . . 3.470 2.364 2.149 3.418 . 0 0 "[ . 1 . 2]" 1
932 1 94 SER HB3 1 95 ILE H . . 4.330 4.069 3.976 4.144 . 0 0 "[ . 1 . 2]" 1
933 1 67 GLU H 1 94 SER HB3 . . 4.080 3.520 3.353 3.761 . 0 0 "[ . 1 . 2]" 1
934 1 67 GLU HB2 1 94 SER HB3 . . 4.290 3.999 3.923 4.094 . 0 0 "[ . 1 . 2]" 1
935 1 67 GLU HG2 1 94 SER HB3 . . 4.780 4.603 4.561 4.667 . 0 0 "[ . 1 . 2]" 1
936 1 67 GLU HB3 1 94 SER HB3 . . 3.930 2.512 2.464 2.577 . 0 0 "[ . 1 . 2]" 1
937 1 94 SER H 1 94 SER HB2 . . 3.750 2.430 2.341 2.529 . 0 0 "[ . 1 . 2]" 1
938 1 66 VAL H 1 94 SER HB2 . . 4.810 4.837 4.816 4.858 0.048 20 0 "[ . 1 . 2]" 1
939 1 67 GLU HB2 1 94 SER HB2 . . 4.170 3.727 3.701 3.744 . 0 0 "[ . 1 . 2]" 1
940 1 67 GLU HB3 1 94 SER HB2 . . 3.750 1.985 1.967 1.996 . 0 0 "[ . 1 . 2]" 1
941 1 22 SER QB 1 23 LEU H . . 4.620 3.619 3.113 3.976 . 0 0 "[ . 1 . 2]" 1
942 1 22 SER H 1 22 SER QB . . 3.680 2.488 2.169 2.871 . 0 0 "[ . 1 . 2]" 1
943 1 21 ILE HA 1 22 SER QB . . 4.400 4.192 3.973 4.392 . 0 0 "[ . 1 . 2]" 1
944 1 66 VAL H 1 94 SER HB3 . . 4.970 4.110 3.965 4.341 . 0 0 "[ . 1 . 2]" 1
945 1 22 SER QB 1 24 VAL QG . . 4.520 2.536 1.932 3.201 . 0 0 "[ . 1 . 2]" 1
946 1 61 ILE HA 1 62 GLY H . . 3.080 2.207 2.184 2.250 . 0 0 "[ . 1 . 2]" 1
947 1 61 ILE HA 1 62 GLY HA3 . . 4.920 4.413 4.403 4.433 . 0 0 "[ . 1 . 2]" 1
948 1 45 ILE HB 1 61 ILE HA . . 4.110 2.838 2.646 3.007 . 0 0 "[ . 1 . 2]" 1
949 1 61 ILE HA 1 61 ILE QG . . 3.560 2.386 2.312 2.436 . 0 0 "[ . 1 . 2]" 1
950 1 45 ILE MG 1 61 ILE HA . . 3.080 1.997 1.936 2.108 . 0 0 "[ . 1 . 2]" 1
951 1 37 PRO HB2 1 39 GLN H . . 3.530 2.325 2.278 2.371 . 0 0 "[ . 1 . 2]" 1
952 1 71 VAL HB 1 73 PHE QE . . 4.190 2.305 2.186 2.482 . 0 0 "[ . 1 . 2]" 1
953 1 68 VAL HB 1 71 VAL HB . . 4.980 2.538 2.421 2.704 . 0 0 "[ . 1 . 2]" 1
954 1 54 SER HB2 1 59 LEU HG . . 4.930 4.528 4.164 4.937 0.007 7 0 "[ . 1 . 2]" 1
955 1 54 SER HB2 1 59 LEU HB2 . . 4.590 2.247 1.966 2.816 . 0 0 "[ . 1 . 2]" 1
956 1 54 SER HB2 1 57 VAL MG2 . . 4.490 3.901 3.573 4.474 . 0 0 "[ . 1 . 2]" 1
957 1 45 ILE MD 1 54 SER HB2 . . 4.720 3.485 3.163 4.012 . 0 0 "[ . 1 . 2]" 1
958 1 54 SER HB3 1 59 LEU HG . . 4.880 3.949 3.471 4.478 . 0 0 "[ . 1 . 2]" 1
959 1 54 SER HB3 1 59 LEU HB2 . . 4.560 2.395 1.978 3.049 . 0 0 "[ . 1 . 2]" 1
960 1 54 SER HB3 1 57 VAL MG2 . . 4.580 3.510 3.247 3.900 . 0 0 "[ . 1 . 2]" 1
961 1 45 ILE MD 1 54 SER HB3 . . 4.620 3.143 2.758 3.446 . 0 0 "[ . 1 . 2]" 1
962 1 54 SER HB3 1 59 LEU HB3 . . 4.960 2.963 2.317 3.738 . 0 0 "[ . 1 . 2]" 1
963 1 54 SER HA 1 59 LEU HG . . 4.480 3.780 3.413 4.029 . 0 0 "[ . 1 . 2]" 1
964 1 54 SER HA 1 59 LEU HB2 . . 4.470 2.913 2.465 3.233 . 0 0 "[ . 1 . 2]" 1
965 1 54 SER HA 1 59 LEU HB3 . . 5.000 4.337 3.901 4.645 . 0 0 "[ . 1 . 2]" 1
966 1 29 LEU MD1 1 54 SER HA . . 4.390 4.105 3.510 4.404 0.014 3 0 "[ . 1 . 2]" 1
967 1 64 GLN H 1 96 VAL HB . . 4.730 3.972 3.778 4.188 . 0 0 "[ . 1 . 2]" 1
968 1 102 GLU HA 1 105 MET HG3 . . 4.610 3.007 2.108 4.406 . 0 0 "[ . 1 . 2]" 1
969 1 105 MET H 1 105 MET HG3 . . 4.940 3.287 1.962 4.319 . 0 0 "[ . 1 . 2]" 1
970 1 36 GLY H 1 41 PRO HA . . 4.360 3.466 3.185 3.660 . 0 0 "[ . 1 . 2]" 1
971 1 41 PRO HA 1 42 GLY H . . 2.910 2.241 2.232 2.249 . 0 0 "[ . 1 . 2]" 1
972 1 40 LYS H 1 41 PRO HA . . 4.670 4.220 4.202 4.231 . 0 0 "[ . 1 . 2]" 1
973 1 36 GLY HA2 1 41 PRO HA . . 4.000 4.336 4.233 4.456 0.456 5 0 "[ . 1 . 2]" 1
974 1 79 LYS HB2 1 79 LYS QD . . 3.810 2.901 2.132 3.095 . 0 0 "[ . 1 . 2]" 1
975 1 79 LYS HB3 1 79 LYS QE . . 4.930 3.664 3.108 4.110 . 0 0 "[ . 1 . 2]" 1
976 1 79 LYS HB3 1 79 LYS QD . . 3.770 2.098 1.954 2.636 . 0 0 "[ . 1 . 2]" 1
977 1 74 SER HA 1 74 SER QB . . 2.710 2.455 2.192 2.565 . 0 0 "[ . 1 . 2]" 1
978 1 73 PHE HZ 1 84 VAL HB . . 3.750 2.037 1.991 2.219 . 0 0 "[ . 1 . 2]" 1
979 1 17 LYS H 1 96 VAL HA . . 4.560 3.120 2.918 3.582 . 0 0 "[ . 1 . 2]" 1
980 1 16 GLU HG2 1 96 VAL HA . . 4.840 3.515 1.997 3.891 . 0 0 "[ . 1 . 2]" 1
981 1 96 VAL HA 1 99 ALA MB . . 4.800 4.210 4.175 4.261 . 0 0 "[ . 1 . 2]" 1
982 1 50 PRO HB2 1 51 GLY H . . 4.720 3.901 3.524 4.454 . 0 0 "[ . 1 . 2]" 1
983 1 66 VAL HA 1 73 PHE HB3 . . 4.270 3.450 3.130 3.663 . 0 0 "[ . 1 . 2]" 1
984 1 66 VAL HA 1 73 PHE HB2 . . 3.850 3.551 3.228 3.851 0.001 10 0 "[ . 1 . 2]" 1
985 1 66 VAL HA 1 66 VAL MG2 . . 3.740 3.204 3.198 3.210 . 0 0 "[ . 1 . 2]" 1
986 1 78 HIS HB2 1 79 LYS H . . 4.570 4.338 4.275 4.398 . 0 0 "[ . 1 . 2]" 1
987 1 92 THR HA 1 93 ILE H . . 3.100 2.191 2.180 2.205 . 0 0 "[ . 1 . 2]" 1
988 1 20 PHE QD 1 92 THR HA . . 4.370 3.508 3.276 3.900 . 0 0 "[ . 1 . 2]" 1
989 1 92 THR HA 1 93 ILE HA . . 4.920 4.379 4.372 4.388 . 0 0 "[ . 1 . 2]" 1
990 1 92 THR HA 1 93 ILE HB . . 4.730 4.595 4.542 4.625 . 0 0 "[ . 1 . 2]" 1
991 1 92 THR HA 1 93 ILE HG13 . . 4.670 3.889 3.854 3.988 . 0 0 "[ . 1 . 2]" 1
992 1 71 VAL HA 1 72 ASP H . . 2.960 2.348 2.213 2.418 . 0 0 "[ . 1 . 2]" 1
993 1 71 VAL HA 1 72 ASP QB . . 3.980 4.007 3.998 4.020 0.040 16 0 "[ . 1 . 2]" 1
994 1 71 VAL HA 1 71 VAL MG1 . . 2.890 2.365 2.287 2.464 . 0 0 "[ . 1 . 2]" 1
995 1 44 PHE QE 1 64 GLN HB2 . . 4.970 2.718 2.604 2.816 . 0 0 "[ . 1 . 2]" 1
996 1 44 PHE QE 1 64 GLN HB3 . . 4.820 3.703 3.633 3.798 . 0 0 "[ . 1 . 2]" 1
997 1 44 PHE QD 1 64 GLN HB3 . . 4.820 3.763 3.664 3.895 . 0 0 "[ . 1 . 2]" 1
998 1 27 ARG HB2 1 53 LEU QD . . 4.290 3.049 1.930 3.820 . 0 0 "[ . 1 . 2]" 1
999 1 16 GLU QB 1 96 VAL MG2 . . 4.440 3.885 3.720 4.094 . 0 0 "[ . 1 . 2]" 1
1000 1 16 GLU QB 1 66 VAL MG2 . . 4.810 4.809 4.741 4.849 0.039 7 0 "[ . 1 . 2]" 1
1001 1 48 VAL HA 1 49 LYS H . . 3.200 2.203 2.182 2.264 . 0 0 "[ . 1 . 2]" 1
1002 1 31 CYS HA 1 48 VAL HA . . 3.520 2.032 1.941 2.230 . 0 0 "[ . 1 . 2]" 1
1003 1 48 VAL HA 1 49 LYS QB . . 4.660 4.099 4.013 4.233 . 0 0 "[ . 1 . 2]" 1
1004 1 108 ARG HB3 1 108 ARG HG3 . . 2.800 2.936 2.618 3.056 0.256 8 0 "[ . 1 . 2]" 1
1005 1 45 ILE HA 1 46 SER H . . 3.280 2.279 2.233 2.354 . 0 0 "[ . 1 . 2]" 1
1006 1 45 ILE HA 1 45 ILE HG12 . . 3.910 2.301 2.225 2.343 . 0 0 "[ . 1 . 2]" 1
1007 1 65 ILE HA 1 66 VAL H . . 3.140 2.186 2.179 2.194 . 0 0 "[ . 1 . 2]" 1
1008 1 65 ILE HA 1 65 ILE HG13 . . 4.010 2.766 2.432 2.944 . 0 0 "[ . 1 . 2]" 1
1009 1 78 HIS HA 1 81 ALA H . . 4.110 3.790 3.704 3.869 . 0 0 "[ . 1 . 2]" 1
1010 1 78 HIS HA 1 78 HIS HD2 . . 4.440 3.506 3.359 3.615 . 0 0 "[ . 1 . 2]" 1
1011 1 101 ARG QB 1 102 GLU H . . 4.480 3.076 2.684 3.741 . 0 0 "[ . 1 . 2]" 1
1012 1 101 ARG QB 1 102 GLU HA . . 4.510 3.833 3.628 4.344 . 0 0 "[ . 1 . 2]" 1
1013 1 98 ALA MB 1 101 ARG QB . . 4.310 2.318 1.957 2.664 . 0 0 "[ . 1 . 2]" 1
1014 1 57 VAL HA 1 57 VAL MG2 . . 3.700 3.201 3.152 3.220 . 0 0 "[ . 1 . 2]" 1
1015 1 19 VAL MG1 1 57 VAL HA . . 4.720 4.142 3.830 4.448 . 0 0 "[ . 1 . 2]" 1
1016 1 31 CYS HB2 1 48 VAL HA . . 4.460 3.256 2.911 3.625 . 0 0 "[ . 1 . 2]" 1
1017 1 31 CYS HB2 1 45 ILE MD . . 4.270 2.488 2.412 2.548 . 0 0 "[ . 1 . 2]" 1
1018 1 31 CYS HB2 1 45 ILE MG . . 3.770 2.511 2.250 2.845 . 0 0 "[ . 1 . 2]" 1
1019 1 31 CYS HB3 1 32 SER H . . 4.040 4.020 3.792 4.103 0.063 19 0 "[ . 1 . 2]" 1
1020 1 31 CYS HB3 1 48 VAL HA . . 4.360 2.690 2.168 3.078 . 0 0 "[ . 1 . 2]" 1
1021 1 31 CYS HB3 1 45 ILE MD . . 4.290 3.205 3.109 3.348 . 0 0 "[ . 1 . 2]" 1
1022 1 31 CYS HB3 1 54 SER HB2 . . 4.700 2.975 2.620 3.302 . 0 0 "[ . 1 . 2]" 1
1023 1 31 CYS HB3 1 54 SER HB3 . . 4.600 3.434 3.007 3.842 . 0 0 "[ . 1 . 2]" 1
1024 1 31 CYS HB3 1 45 ILE MG . . 4.000 3.637 3.377 3.994 . 0 0 "[ . 1 . 2]" 1
1025 1 89 ARG HB3 1 90 SER H . . 4.980 3.522 3.284 3.755 . 0 0 "[ . 1 . 2]" 1
1026 1 24 VAL QG 1 89 ARG HB3 . . 4.600 2.730 1.950 3.402 . 0 0 "[ . 1 . 2]" 1
1027 1 24 VAL QG 1 89 ARG HB2 . . 4.910 3.045 2.290 3.839 . 0 0 "[ . 1 . 2]" 1
1028 1 68 VAL HA 1 69 ASN H . . 3.150 2.185 2.182 2.203 . 0 0 "[ . 1 . 2]" 1
1029 1 68 VAL HA 1 94 SER H . . 4.130 3.352 3.228 3.500 . 0 0 "[ . 1 . 2]" 1
1030 1 68 VAL HA 1 70 GLY H . . 4.850 3.503 3.418 3.678 . 0 0 "[ . 1 . 2]" 1
1031 1 68 VAL HA 1 93 ILE HA . . 3.630 2.038 1.991 2.177 . 0 0 "[ . 1 . 2]" 1
1032 1 53 LEU QD 1 56 GLU HB3 . . 4.490 4.132 3.893 4.388 . 0 0 "[ . 1 . 2]" 1
1033 1 53 LEU HA 1 56 GLU HB3 . . 4.090 3.703 3.521 3.900 . 0 0 "[ . 1 . 2]" 1
1034 1 53 LEU QD 1 56 GLU HB2 . . 4.420 4.338 4.162 4.423 0.003 17 0 "[ . 1 . 2]" 1
1035 1 56 GLU HB3 1 57 VAL MG1 . . 4.790 4.549 4.386 4.735 . 0 0 "[ . 1 . 2]" 1
1036 1 56 GLU HB2 1 57 VAL H . . 4.180 3.890 3.691 4.038 . 0 0 "[ . 1 . 2]" 1
1037 1 56 GLU HB2 1 57 VAL MG1 . . 4.610 3.835 3.595 3.969 . 0 0 "[ . 1 . 2]" 1
1038 1 49 LYS H 1 49 LYS QD . . 4.770 3.932 3.289 4.568 . 0 0 "[ . 1 . 2]" 1
1039 1 49 LYS HA 1 49 LYS QD . . 4.490 3.853 3.515 4.060 . 0 0 "[ . 1 . 2]" 1
1040 1 30 GLY HA2 1 49 LYS QD . . 4.350 3.564 2.277 4.359 0.009 7 0 "[ . 1 . 2]" 1
1041 1 49 LYS QD 1 50 PRO HD2 . . 4.910 3.793 2.420 4.707 . 0 0 "[ . 1 . 2]" 1
1042 1 49 LYS QD 1 49 LYS HG3 . . 2.780 2.400 2.179 2.571 . 0 0 "[ . 1 . 2]" 1
1043 1 101 ARG HA 1 104 PHE QD . . 3.920 2.673 2.428 2.936 . 0 0 "[ . 1 . 2]" 1
1044 1 62 GLY HA3 1 101 ARG HA . . 3.440 2.250 2.131 2.416 . 0 0 "[ . 1 . 2]" 1
1045 1 62 GLY HA2 1 101 ARG HA . . 3.810 2.158 1.998 2.326 . 0 0 "[ . 1 . 2]" 1
1046 1 101 ARG HA 1 101 ARG QG . . 4.000 2.248 2.013 3.331 . 0 0 "[ . 1 . 2]" 1
1047 1 77 ASP H 1 80 GLU HB2 . . 4.210 1.911 1.897 1.930 . 0 0 "[ . 1 . 2]" 1
1048 1 77 ASP HB3 1 80 GLU HB2 . . 4.900 2.646 2.506 2.843 . 0 0 "[ . 1 . 2]" 1
1049 1 76 LEU HG 1 80 GLU HB2 . . 4.560 4.617 4.436 4.647 0.087 1 0 "[ . 1 . 2]" 1
1050 1 76 LEU HB3 1 80 GLU HB2 . . 4.440 3.126 3.097 3.172 . 0 0 "[ . 1 . 2]" 1
1051 1 77 ASP H 1 80 GLU HB3 . . 4.420 3.515 3.490 3.615 . 0 0 "[ . 1 . 2]" 1
1052 1 80 GLU H 1 80 GLU HB3 . . 3.680 3.568 3.560 3.604 . 0 0 "[ . 1 . 2]" 1
1053 1 76 LEU HG 1 80 GLU HB3 . . 4.550 4.626 4.570 4.710 0.160 17 0 "[ . 1 . 2]" 1
1054 1 76 LEU HB3 1 80 GLU HB3 . . 4.490 4.128 4.039 4.415 . 0 0 "[ . 1 . 2]" 1
1055 1 80 GLU HB3 1 81 ALA MB . . 5.090 4.779 4.739 4.892 . 0 0 "[ . 1 . 2]" 1
1056 1 17 LYS HA 1 17 LYS QD . . 4.750 4.177 4.064 4.281 . 0 0 "[ . 1 . 2]" 1
1057 1 17 LYS QD 1 19 VAL MG1 . . 4.490 2.184 1.819 3.690 . 0 0 "[ . 1 . 2]" 1
1058 1 17 LYS QD 1 59 LEU MD2 . . 4.190 3.413 2.760 4.001 . 0 0 "[ . 1 . 2]" 1
1059 1 17 LYS QD 1 95 ILE MD . . 3.970 2.477 1.965 3.037 . 0 0 "[ . 1 . 2]" 1
1060 1 93 ILE HA 1 93 ILE HG13 . . 4.230 2.714 2.674 2.738 . 0 0 "[ . 1 . 2]" 1
1061 1 69 ASN H 1 93 ILE HA . . 4.380 3.413 3.379 3.516 . 0 0 "[ . 1 . 2]" 1
1062 1 93 ILE HA 1 94 SER H . . 3.120 2.234 2.210 2.280 . 0 0 "[ . 1 . 2]" 1
1063 1 93 ILE HA 1 93 ILE MG . . 3.310 2.337 2.312 2.383 . 0 0 "[ . 1 . 2]" 1
1064 1 68 VAL MG1 1 93 ILE HA . . 3.890 3.223 3.155 3.361 . 0 0 "[ . 1 . 2]" 1
1065 1 86 LYS HA 1 86 LYS QD . . 4.360 4.263 3.575 4.440 0.080 16 0 "[ . 1 . 2]" 1
1066 1 86 LYS HB3 1 86 LYS QD . . 3.580 2.579 2.031 2.914 . 0 0 "[ . 1 . 2]" 1
1067 1 86 LYS H 1 86 LYS QD . . 4.520 4.002 3.075 4.404 . 0 0 "[ . 1 . 2]" 1
1068 1 86 LYS HB2 1 86 LYS QD . . 3.600 2.689 2.335 3.287 . 0 0 "[ . 1 . 2]" 1
1069 1 18 LYS H 1 18 LYS QD . . 4.910 4.322 3.978 4.718 . 0 0 "[ . 1 . 2]" 1
1070 1 18 LYS QD 1 20 PHE QE . . 4.550 4.447 3.851 4.556 0.006 1 0 "[ . 1 . 2]" 1
1071 1 18 LYS HA 1 18 LYS QD . . 4.190 3.817 3.536 4.122 . 0 0 "[ . 1 . 2]" 1
1072 1 40 LYS HA 1 40 LYS HD2 . . 4.490 3.852 2.892 4.417 . 0 0 "[ . 1 . 2]" 1
1073 1 40 LYS HB2 1 40 LYS HD2 . . 3.370 2.543 2.023 3.175 . 0 0 "[ . 1 . 2]" 1
1074 1 40 LYS HB2 1 40 LYS HD3 . . 3.370 2.816 2.008 3.430 0.060 14 0 "[ . 1 . 2]" 1
1075 1 21 ILE HA 1 22 SER H . . 3.340 2.187 2.177 2.210 . 0 0 "[ . 1 . 2]" 1
1076 1 21 ILE HA 1 21 ILE HG12 . . 4.030 2.911 2.784 3.485 . 0 0 "[ . 1 . 2]" 1
1077 1 21 ILE HA 1 57 VAL MG1 . . 4.660 3.412 3.026 3.789 . 0 0 "[ . 1 . 2]" 1
1078 1 21 ILE HA 1 21 ILE HG13 . . 3.780 3.559 2.207 3.764 . 0 0 "[ . 1 . 2]" 1
1079 1 40 LYS HD3 1 44 PHE HZ . . 4.960 4.455 3.930 5.034 0.074 9 0 "[ . 1 . 2]" 1
1080 1 40 LYS HA 1 40 LYS HD3 . . 4.580 4.300 3.242 4.708 0.128 14 0 "[ . 1 . 2]" 1
1081 1 19 VAL HA 1 20 PHE H . . 3.180 2.214 2.181 2.421 . 0 0 "[ . 1 . 2]" 1
1082 1 19 VAL HA 1 20 PHE HB3 . . 4.950 4.976 4.858 5.069 0.119 10 0 "[ . 1 . 2]" 1
1083 1 79 LYS HA 1 79 LYS QE . . 4.850 4.174 3.064 4.739 . 0 0 "[ . 1 . 2]" 1
1084 1 79 LYS HA 1 82 VAL HB . . 3.460 2.618 2.545 2.675 . 0 0 "[ . 1 . 2]" 1
1085 1 79 LYS HA 1 79 LYS QD . . 4.470 3.302 2.895 3.996 . 0 0 "[ . 1 . 2]" 1
1086 1 79 LYS HA 1 79 LYS HG3 . . 3.920 3.497 2.861 3.685 . 0 0 "[ . 1 . 2]" 1
1087 1 79 LYS HA 1 79 LYS HG2 . . 3.910 2.478 2.263 3.699 . 0 0 "[ . 1 . 2]" 1
1088 1 61 ILE H 1 61 ILE QG . . 3.510 2.190 1.946 2.515 . 0 0 "[ . 1 . 2]" 1
1089 1 61 ILE QG 1 61 ILE MG . . 3.230 2.165 2.094 2.249 . 0 0 "[ . 1 . 2]" 1
1090 1 56 GLU HA 1 58 GLY H . . 4.410 4.113 3.787 4.346 . 0 0 "[ . 1 . 2]" 1
1091 1 55 ALA MB 1 56 GLU HA . . 4.430 3.785 3.666 3.946 . 0 0 "[ . 1 . 2]" 1
1092 1 47 HIS HA 1 48 VAL H . . 3.300 2.410 2.319 2.509 . 0 0 "[ . 1 . 2]" 1
1093 1 47 HIS HA 1 61 ILE QG . . 3.750 2.345 2.266 2.406 . 0 0 "[ . 1 . 2]" 1
1094 1 45 ILE MG 1 47 HIS HA . . 4.220 3.445 3.360 3.570 . 0 0 "[ . 1 . 2]" 1
1095 1 45 ILE HA 1 45 ILE HG13 . . 4.210 2.919 2.849 3.017 . 0 0 "[ . 1 . 2]" 1
1096 1 45 ILE HG13 1 63 ASP HB2 . . 4.800 3.242 2.996 3.443 . 0 0 "[ . 1 . 2]" 1
1097 1 45 ILE HG13 1 65 ILE HG13 . . 4.460 3.603 3.363 3.935 . 0 0 "[ . 1 . 2]" 1
1098 1 49 LYS HA 1 50 PRO HG2 . . 4.680 4.626 4.510 4.673 . 0 0 "[ . 1 . 2]" 1
1099 1 62 GLY HA3 1 101 ARG QG . . 4.730 2.183 1.810 3.920 . 0 0 "[ . 1 . 2]" 1
1100 1 35 SER HA 1 36 GLY H . . 3.050 2.294 2.225 2.392 . 0 0 "[ . 1 . 2]" 1
1101 1 35 SER HA 1 44 PHE H . . 4.410 3.943 3.456 4.285 . 0 0 "[ . 1 . 2]" 1
1102 1 35 SER HA 1 44 PHE QD . . 4.550 3.670 3.143 3.964 . 0 0 "[ . 1 . 2]" 1
1103 1 35 SER HA 1 36 GLY HA3 . . 4.920 4.402 4.391 4.423 . 0 0 "[ . 1 . 2]" 1
1104 1 35 SER HA 1 43 ILE MG . . 4.680 4.440 4.116 4.637 . 0 0 "[ . 1 . 2]" 1
1105 1 33 ILE HA 1 34 SER H . . 3.300 2.303 2.274 2.353 . 0 0 "[ . 1 . 2]" 1
1106 1 33 ILE HA 1 46 SER H . . 3.660 3.046 2.856 3.202 . 0 0 "[ . 1 . 2]" 1
1107 1 33 ILE HA 1 47 HIS H . . 5.120 4.757 4.562 4.961 . 0 0 "[ . 1 . 2]" 1
1108 1 33 ILE HA 1 45 ILE HA . . 3.670 2.293 2.185 2.458 . 0 0 "[ . 1 . 2]" 1
1109 1 89 ARG HA 1 89 ARG HG3 . . 4.090 3.850 3.785 3.899 . 0 0 "[ . 1 . 2]" 1
1110 1 29 LEU HA 1 29 LEU HG . . 4.160 2.507 2.357 2.703 . 0 0 "[ . 1 . 2]" 1
1111 1 29 LEU HG 1 54 SER HG . . 4.270 3.149 2.394 4.263 . 0 0 "[ . 1 . 2]" 1
1112 1 88 SER QB 1 89 ARG HG2 . . 5.110 4.520 4.266 4.802 . 0 0 "[ . 1 . 2]" 1
1113 1 23 LEU H 1 23 LEU HG . . 4.500 3.991 3.305 4.522 0.022 11 0 "[ . 1 . 2]" 1
1114 1 23 LEU HA 1 23 LEU HG . . 4.000 3.231 2.091 3.725 . 0 0 "[ . 1 . 2]" 1
1115 1 21 ILE HG12 1 57 VAL MG1 . . 4.200 3.602 3.176 4.572 0.372 19 0 "[ . 1 . 2]" 1
1116 1 21 ILE H 1 21 ILE HG13 . . 4.460 3.902 3.668 4.304 . 0 0 "[ . 1 . 2]" 1
1117 1 85 LEU HG 1 86 LYS H . . 5.250 4.793 4.616 4.870 . 0 0 "[ . 1 . 2]" 1
1118 1 73 PHE HZ 1 85 LEU HG . . 4.270 2.335 2.057 2.660 . 0 0 "[ . 1 . 2]" 1
1119 1 84 VAL HB 1 85 LEU HG . . 4.780 3.763 3.526 3.926 . 0 0 "[ . 1 . 2]" 1
1120 1 84 VAL QG 1 85 LEU HG . . 4.950 3.704 3.518 3.855 . 0 0 "[ . 1 . 2]" 1
1121 1 68 VAL MG2 1 85 LEU HG . . 4.790 3.424 3.102 3.705 . 0 0 "[ . 1 . 2]" 1
1122 1 92 THR H 1 93 ILE HG13 . . 4.870 4.308 4.136 4.418 . 0 0 "[ . 1 . 2]" 1
1123 1 91 LEU HB2 1 93 ILE HG13 . . 4.170 3.460 3.333 3.520 . 0 0 "[ . 1 . 2]" 1
1124 1 91 LEU H 1 91 LEU MD1 . . 4.450 3.294 2.847 3.511 . 0 0 "[ . 1 . 2]" 1
1125 1 91 LEU HA 1 91 LEU MD1 . . 4.380 3.835 3.786 3.897 . 0 0 "[ . 1 . 2]" 1
1126 1 91 LEU HB2 1 93 ILE HG12 . . 4.570 4.511 4.401 4.623 0.053 15 0 "[ . 1 . 2]" 1
1127 1 68 VAL MG2 1 93 ILE HG12 . . 4.100 2.123 1.941 2.376 . 0 0 "[ . 1 . 2]" 1
1128 1 79 LYS H 1 80 GLU HA . . 4.600 4.620 4.580 4.644 0.044 13 0 "[ . 1 . 2]" 1
1129 1 80 GLU HA 1 83 ASN HB2 . . 3.450 3.166 2.231 3.444 . 0 0 "[ . 1 . 2]" 1
1130 1 80 GLU HA 1 80 GLU HG3 . . 3.790 3.609 3.391 3.804 0.014 17 0 "[ . 1 . 2]" 1
1131 1 41 PRO QG 1 42 GLY H . . 4.710 4.724 4.710 4.743 0.033 15 0 "[ . 1 . 2]" 1
1132 1 27 ARG HA 1 27 ARG HG2 . . 4.280 2.607 2.061 3.538 . 0 0 "[ . 1 . 2]" 1
1133 1 53 LEU HA 1 57 VAL H . . 5.260 4.874 4.565 5.112 . 0 0 "[ . 1 . 2]" 1
1134 1 53 LEU HA 1 56 GLU HG3 . . 3.490 3.456 3.280 3.541 0.051 12 0 "[ . 1 . 2]" 1
1135 1 53 LEU HA 1 53 LEU HG . . 3.860 3.075 2.443 3.598 . 0 0 "[ . 1 . 2]" 1
1136 1 53 LEU HA 1 53 LEU QD . . 3.030 1.962 1.888 2.180 . 0 0 "[ . 1 . 2]" 1
1137 1 29 LEU HA 1 53 LEU HB3 . . 4.010 2.503 1.980 3.572 . 0 0 "[ . 1 . 2]" 1
1138 1 29 LEU HA 1 53 LEU QD . . 3.630 3.125 2.678 3.532 . 0 0 "[ . 1 . 2]" 1
1139 1 29 LEU HA 1 29 LEU MD1 . . 3.160 2.781 2.618 2.942 . 0 0 "[ . 1 . 2]" 1
1140 1 95 ILE HA 1 96 VAL H . . 3.140 2.542 2.492 2.632 . 0 0 "[ . 1 . 2]" 1
1141 1 66 VAL H 1 95 ILE HA . . 3.700 2.979 2.736 3.150 . 0 0 "[ . 1 . 2]" 1
1142 1 65 ILE HA 1 95 ILE HA . . 3.650 3.001 2.856 3.141 . 0 0 "[ . 1 . 2]" 1
1143 1 102 GLU HA 1 104 PHE H . . 4.580 3.751 3.344 4.284 . 0 0 "[ . 1 . 2]" 1
1144 1 102 GLU HA 1 105 MET HG2 . . 4.400 2.873 2.341 4.049 . 0 0 "[ . 1 . 2]" 1
1145 1 85 LEU HA 1 85 LEU HG . . 3.820 2.754 2.702 2.815 . 0 0 "[ . 1 . 2]" 1
1146 1 84 VAL QG 1 85 LEU HA . . 4.240 3.650 3.570 3.795 . 0 0 "[ . 1 . 2]" 1
1147 1 85 LEU HA 1 91 LEU MD1 . . 4.020 2.433 2.005 2.754 . 0 0 "[ . 1 . 2]" 1
1148 1 68 VAL MG1 1 85 LEU HA . . 4.040 3.189 2.963 3.367 . 0 0 "[ . 1 . 2]" 1
1149 1 43 ILE MG 1 65 ILE HG13 . . 4.520 3.398 2.902 4.058 . 0 0 "[ . 1 . 2]" 1
1150 1 73 PHE HA 1 76 LEU MD2 . . 3.770 3.789 3.712 3.835 0.065 17 0 "[ . 1 . 2]" 1
1151 1 65 ILE H 1 65 ILE HG13 . . 4.150 2.276 1.957 2.558 . 0 0 "[ . 1 . 2]" 1
1152 1 65 ILE H 1 65 ILE HG12 . . 4.760 3.669 3.416 3.919 . 0 0 "[ . 1 . 2]" 1
1153 1 19 VAL H 1 94 SER HA . . 4.360 3.090 2.942 3.317 . 0 0 "[ . 1 . 2]" 1
1154 1 73 PHE HA 1 73 PHE QD . . 3.660 2.803 2.701 2.891 . 0 0 "[ . 1 . 2]" 1
1155 1 73 PHE HA 1 76 LEU HG . . 3.690 2.150 2.055 2.358 . 0 0 "[ . 1 . 2]" 1
1156 1 73 PHE HA 1 76 LEU HB2 . . 3.740 2.302 2.069 2.594 . 0 0 "[ . 1 . 2]" 1
1157 1 17 LYS H 1 95 ILE HG13 . . 4.630 3.069 2.860 3.183 . 0 0 "[ . 1 . 2]" 1
1158 1 95 ILE HG13 1 95 ILE MG . . 3.630 3.095 3.064 3.137 . 0 0 "[ . 1 . 2]" 1
1159 1 95 ILE HG13 1 96 VAL H . . 4.930 4.077 3.897 4.169 . 0 0 "[ . 1 . 2]" 1
1160 1 93 ILE HB 1 94 SER HA . . 4.840 4.846 4.812 4.871 0.031 13 0 "[ . 1 . 2]" 1
1161 1 94 SER HA 1 95 ILE HG13 . . 4.780 4.077 4.033 4.203 . 0 0 "[ . 1 . 2]" 1
1162 1 18 LYS HG3 1 94 SER HA . . 4.790 4.743 4.234 5.154 0.364 8 0 "[ . 1 . 2]" 1
1163 1 52 SER HA 1 53 LEU H . . 3.360 2.843 2.566 3.090 . 0 0 "[ . 1 . 2]" 1
1164 1 37 PRO HG3 1 39 GLN H . . 4.510 4.647 4.623 4.663 0.153 12 0 "[ . 1 . 2]" 1
1165 1 37 PRO HG3 1 40 LYS H . . 4.380 4.110 4.090 4.139 . 0 0 "[ . 1 . 2]" 1
1166 1 37 PRO HG3 1 40 LYS HB3 . . 4.590 3.809 3.544 4.026 . 0 0 "[ . 1 . 2]" 1
1167 1 37 PRO HG2 1 103 LEU MD2 . . 4.380 3.410 3.127 3.561 . 0 0 "[ . 1 . 2]" 1
1168 1 103 LEU HG 1 104 PHE H . . 5.140 4.543 4.224 4.911 . 0 0 "[ . 1 . 2]" 1
1169 1 33 ILE MD 1 34 SER HA . . 4.870 4.756 4.529 4.883 0.013 10 0 "[ . 1 . 2]" 1
1170 1 34 SER HA 1 78 HIS HD2 . . 4.170 2.865 2.144 3.224 . 0 0 "[ . 1 . 2]" 1
1171 1 46 SER HA 1 62 GLY H . . 4.920 4.604 4.303 4.797 . 0 0 "[ . 1 . 2]" 1
1172 1 46 SER HA 1 61 ILE QG . . 5.030 3.322 3.264 3.452 . 0 0 "[ . 1 . 2]" 1
1173 1 76 LEU HG 1 77 ASP H . . 4.440 4.327 4.196 4.386 . 0 0 "[ . 1 . 2]" 1
1174 1 27 ARG HA 1 27 ARG HD3 . . 4.610 4.005 2.491 4.642 0.032 2 0 "[ . 1 . 2]" 1
1175 1 27 ARG HA 1 27 ARG HG3 . . 3.730 2.706 1.994 3.741 0.011 11 0 "[ . 1 . 2]" 1
1176 1 22 SER HA 1 91 LEU H . . 5.010 3.346 2.962 3.633 . 0 0 "[ . 1 . 2]" 1
1177 1 39 GLN HA 1 41 PRO HD3 . . 4.470 3.334 3.259 3.386 . 0 0 "[ . 1 . 2]" 1
1178 1 39 GLN HA 1 39 GLN HG2 . . 3.690 3.643 3.561 3.688 . 0 0 "[ . 1 . 2]" 1
1179 1 32 SER HA 1 33 ILE HG12 . . 4.870 3.959 3.884 4.053 . 0 0 "[ . 1 . 2]" 1
1180 1 90 SER HA 1 91 LEU H . . 3.180 2.220 2.215 2.229 . 0 0 "[ . 1 . 2]" 1
1181 1 90 SER HA 1 91 LEU HG . . 4.950 4.070 3.876 4.181 . 0 0 "[ . 1 . 2]" 1
1182 1 24 VAL QG 1 90 SER HA . . 4.510 4.301 4.040 4.441 . 0 0 "[ . 1 . 2]" 1
1183 1 13 GLU HA 1 13 GLU HG3 . . 3.920 2.911 2.067 3.935 0.015 15 0 "[ . 1 . 2]" 1
1184 1 86 LYS HA 1 86 LYS QG . . 3.450 3.133 2.592 3.283 . 0 0 "[ . 1 . 2]" 1
1185 1 89 ARG HA 1 89 ARG HG2 . . 3.670 3.117 2.890 3.323 . 0 0 "[ . 1 . 2]" 1
1186 1 23 LEU HB3 1 89 ARG HA . . 3.890 3.520 2.792 3.881 . 0 0 "[ . 1 . 2]" 1
1187 1 23 LEU HG 1 89 ARG HA . . 4.490 3.903 2.988 4.536 0.046 15 0 "[ . 1 . 2]" 1
1188 1 23 LEU QD 1 89 ARG HA . . 3.300 2.773 2.124 3.249 . 0 0 "[ . 1 . 2]" 1
1189 1 53 LEU H 1 53 LEU QD . . 4.190 3.424 2.419 3.764 . 0 0 "[ . 1 . 2]" 1
1190 1 24 VAL H 1 53 LEU QD . . 4.770 3.360 2.621 4.479 . 0 0 "[ . 1 . 2]" 1
1191 1 43 ILE H 1 43 ILE HG12 . . 4.440 2.779 2.630 2.903 . 0 0 "[ . 1 . 2]" 1
1192 1 43 ILE HG12 1 73 PHE QD . . 4.600 4.007 3.616 4.246 . 0 0 "[ . 1 . 2]" 1
1193 1 43 ILE HG12 1 73 PHE HB3 . . 4.970 4.242 3.927 4.419 . 0 0 "[ . 1 . 2]" 1
1194 1 43 ILE HG13 1 73 PHE HB3 . . 5.040 3.880 3.710 4.057 . 0 0 "[ . 1 . 2]" 1
1195 1 73 PHE HZ 1 85 LEU MD1 . . 4.530 3.592 3.150 3.976 . 0 0 "[ . 1 . 2]" 1
1196 1 85 LEU HA 1 85 LEU MD1 . . 4.160 3.832 3.806 3.872 . 0 0 "[ . 1 . 2]" 1
1197 1 82 VAL HA 1 85 LEU MD1 . . 3.590 2.601 2.209 2.892 . 0 0 "[ . 1 . 2]" 1
1198 1 85 LEU HB2 1 85 LEU MD1 . . 3.230 2.235 2.069 2.354 . 0 0 "[ . 1 . 2]" 1
1199 1 68 VAL MG2 1 85 LEU MD1 . . 4.200 3.432 3.127 3.776 . 0 0 "[ . 1 . 2]" 1
1200 1 12 ARG HA 1 12 ARG QD . . 4.280 3.689 2.136 4.252 . 0 0 "[ . 1 . 2]" 1
1201 1 12 ARG HA 1 12 ARG HG3 . . 3.830 2.667 2.010 3.637 . 0 0 "[ . 1 . 2]" 1
1202 1 23 LEU QD 1 89 ARG HB3 . . 4.680 3.663 3.394 4.154 . 0 0 "[ . 1 . 2]" 1
1203 1 33 ILE HG13 1 78 HIS HD2 . . 4.680 3.104 2.478 3.524 . 0 0 "[ . 1 . 2]" 1
1204 1 23 LEU QD 1 24 VAL H . . 5.030 4.043 3.673 4.603 . 0 0 "[ . 1 . 2]" 1
1205 1 20 PHE HA 1 93 ILE H . . 4.360 2.838 2.673 3.049 . 0 0 "[ . 1 . 2]" 1
1206 1 20 PHE HA 1 21 ILE H . . 3.050 2.197 2.193 2.207 . 0 0 "[ . 1 . 2]" 1
1207 1 20 PHE HA 1 20 PHE QD . . 3.850 2.701 2.496 3.033 . 0 0 "[ . 1 . 2]" 1
1208 1 20 PHE HA 1 92 THR HA . . 3.670 2.152 2.002 2.286 . 0 0 "[ . 1 . 2]" 1
1209 1 67 GLU HA 1 73 PHE H . . 3.710 2.165 2.106 2.270 . 0 0 "[ . 1 . 2]" 1
1210 1 67 GLU HA 1 68 VAL H . . 3.070 2.387 2.338 2.422 . 0 0 "[ . 1 . 2]" 1
1211 1 67 GLU HA 1 73 PHE QD . . 4.430 3.430 3.280 3.717 . 0 0 "[ . 1 . 2]" 1
1212 1 67 GLU HA 1 72 ASP HA . . 3.760 3.448 3.331 3.641 . 0 0 "[ . 1 . 2]" 1
1213 1 67 GLU HA 1 73 PHE HB2 . . 4.690 2.355 2.178 2.439 . 0 0 "[ . 1 . 2]" 1
1214 1 67 GLU HA 1 67 GLU HG2 . . 3.760 3.186 3.102 3.252 . 0 0 "[ . 1 . 2]" 1
1215 1 67 GLU HA 1 71 VAL MG1 . . 4.960 4.596 4.415 4.846 . 0 0 "[ . 1 . 2]" 1
1216 1 66 VAL MG2 1 67 GLU HA . . 5.020 3.876 3.841 3.914 . 0 0 "[ . 1 . 2]" 1
1217 1 67 GLU HA 1 68 VAL MG2 . . 4.830 3.392 3.337 3.475 . 0 0 "[ . 1 . 2]" 1
1218 1 83 ASN HA 1 86 LYS H . . 3.930 3.274 3.090 3.399 . 0 0 "[ . 1 . 2]" 1
1219 1 82 VAL HA 1 83 ASN HA . . 4.950 4.789 4.754 4.849 . 0 0 "[ . 1 . 2]" 1
1220 1 83 ASN HA 1 86 LYS QD . . 3.990 2.940 1.835 4.038 0.048 18 0 "[ . 1 . 2]" 1
1221 1 83 ASN HA 1 86 LYS QG . . 3.740 2.046 1.971 2.433 . 0 0 "[ . 1 . 2]" 1
1222 1 15 LYS HA 1 15 LYS QD . . 3.960 3.600 2.270 3.976 0.016 11 0 "[ . 1 . 2]" 1
1223 1 15 LYS HA 1 16 GLU H . . 3.030 2.492 2.177 2.553 . 0 0 "[ . 1 . 2]" 1
1224 1 15 LYS HA 1 15 LYS HG3 . . 3.870 3.220 2.126 4.098 0.228 7 0 "[ . 1 . 2]" 1
1225 1 40 LYS HG2 1 44 PHE HZ . . 4.380 2.626 2.136 3.208 . 0 0 "[ . 1 . 2]" 1
1226 1 40 LYS HA 1 40 LYS HG2 . . 4.030 3.285 2.712 3.715 . 0 0 "[ . 1 . 2]" 1
1227 1 40 LYS HG2 1 103 LEU MD2 . . 4.870 3.125 2.122 4.235 . 0 0 "[ . 1 . 2]" 1
1228 1 40 LYS HG3 1 44 PHE QE . . 4.920 3.446 2.506 4.407 . 0 0 "[ . 1 . 2]" 1
1229 1 40 LYS HG3 1 44 PHE HZ . . 4.440 2.823 1.993 3.925 . 0 0 "[ . 1 . 2]" 1
1230 1 40 LYS HA 1 40 LYS HG3 . . 3.760 2.376 2.185 2.532 . 0 0 "[ . 1 . 2]" 1
1231 1 40 LYS HG3 1 103 LEU MD2 . . 4.980 4.196 3.590 4.947 . 0 0 "[ . 1 . 2]" 1
1232 1 16 GLU HA 1 97 ALA H . . 4.400 4.147 3.612 4.317 . 0 0 "[ . 1 . 2]" 1
1233 1 16 GLU HA 1 17 LYS H . . 2.980 2.290 2.206 2.337 . 0 0 "[ . 1 . 2]" 1
1234 1 16 GLU HA 1 96 VAL HA . . 3.670 1.985 1.961 2.000 . 0 0 "[ . 1 . 2]" 1
1235 1 16 GLU HA 1 16 GLU HG2 . . 3.980 2.505 2.005 2.820 . 0 0 "[ . 1 . 2]" 1
1236 1 16 GLU HA 1 17 LYS QG . . 4.800 4.172 3.889 4.311 . 0 0 "[ . 1 . 2]" 1
1237 1 49 LYS H 1 49 LYS HG3 . . 4.440 3.275 2.686 3.658 . 0 0 "[ . 1 . 2]" 1
1238 1 49 LYS HG3 1 50 PRO HD3 . . 4.650 3.805 3.091 4.600 . 0 0 "[ . 1 . 2]" 1
1239 1 49 LYS HG3 1 50 PRO HD2 . . 4.560 3.787 3.240 4.385 . 0 0 "[ . 1 . 2]" 1
1240 1 108 ARG HA 1 108 ARG QD . . 4.570 3.747 2.539 4.438 . 0 0 "[ . 1 . 2]" 1
1241 1 108 ARG HA 1 108 ARG HG3 . . 4.040 2.872 2.137 3.630 . 0 0 "[ . 1 . 2]" 1
1242 1 86 LYS H 1 86 LYS QG . . 3.670 2.371 1.864 2.617 . 0 0 "[ . 1 . 2]" 1
1243 1 18 LYS HA 1 18 LYS HG2 . . 4.000 2.356 2.103 2.522 . 0 0 "[ . 1 . 2]" 1
1244 1 18 LYS HA 1 18 LYS HG3 . . 3.950 3.190 2.934 3.399 . 0 0 "[ . 1 . 2]" 1
1245 1 18 LYS H 1 18 LYS HG3 . . 4.610 4.704 4.487 4.839 0.229 6 0 "[ . 1 . 2]" 1
1246 1 15 LYS HA 1 15 LYS HG2 . . 4.080 3.292 2.279 4.076 . 0 0 "[ . 1 . 2]" 1
1247 1 79 LYS H 1 79 LYS HG2 . . 4.300 3.240 2.897 3.793 . 0 0 "[ . 1 . 2]" 1
1248 1 59 LEU HA 1 60 GLU H . . 3.080 2.263 2.237 2.318 . 0 0 "[ . 1 . 2]" 1
1249 1 59 LEU HA 1 60 GLU HA . . 5.000 4.377 4.354 4.408 . 0 0 "[ . 1 . 2]" 1
1250 1 59 LEU HA 1 60 GLU HG2 . . 5.200 4.591 3.184 4.985 . 0 0 "[ . 1 . 2]" 1
1251 1 59 LEU HA 1 60 GLU HB2 . . 5.000 4.625 4.437 5.512 0.512 16 1 "[ . 1 .+ 2]" 1
1252 1 59 LEU HA 1 59 LEU HG . . 4.080 2.803 2.731 2.873 . 0 0 "[ . 1 . 2]" 1
1253 1 59 LEU HA 1 59 LEU MD1 . . 3.980 3.804 3.780 3.824 . 0 0 "[ . 1 . 2]" 1
1254 1 79 LYS HG2 1 82 VAL HB . . 4.970 4.761 4.488 5.892 0.922 16 2 "[ . 1- .+ 2]" 1
1255 1 91 LEU MD2 1 92 THR H . . 3.780 3.788 3.672 3.879 0.099 16 0 "[ . 1 . 2]" 1
1256 1 69 ASN HD22 1 91 LEU MD2 . . 3.640 2.602 2.402 2.787 . 0 0 "[ . 1 . 2]" 1
1257 1 69 ASN HD21 1 91 LEU MD2 . . 3.470 1.748 1.725 1.915 . 0 0 "[ . 1 . 2]" 1
1258 1 88 SER H 1 91 LEU MD2 . . 4.110 2.644 2.419 3.232 . 0 0 "[ . 1 . 2]" 1
1259 1 91 LEU HA 1 91 LEU MD2 . . 3.170 2.913 2.782 3.041 . 0 0 "[ . 1 . 2]" 1
1260 1 44 PHE HA 1 65 ILE H . . 4.020 3.082 2.914 3.262 . 0 0 "[ . 1 . 2]" 1
1261 1 44 PHE HA 1 45 ILE HG13 . . 4.730 4.032 3.864 4.198 . 0 0 "[ . 1 . 2]" 1
1262 1 44 PHE HA 1 45 ILE H . . 3.230 2.279 2.209 2.404 . 0 0 "[ . 1 . 2]" 1
1263 1 44 PHE HA 1 44 PHE QD . . 3.950 3.296 3.208 3.328 . 0 0 "[ . 1 . 2]" 1
1264 1 44 PHE HA 1 64 GLN HA . . 3.480 1.989 1.966 2.044 . 0 0 "[ . 1 . 2]" 1
1265 1 44 PHE HA 1 45 ILE HB . . 4.900 4.448 4.389 4.489 . 0 0 "[ . 1 . 2]" 1
1266 1 44 PHE HA 1 65 ILE MD . . 4.820 4.129 2.989 4.661 . 0 0 "[ . 1 . 2]" 1
1267 1 102 GLU HG3 1 103 LEU HA . . 4.900 3.636 2.925 4.287 . 0 0 "[ . 1 . 2]" 1
1268 1 23 LEU HA 1 23 LEU QD . . 3.320 2.275 1.895 3.006 . 0 0 "[ . 1 . 2]" 1
1269 1 23 LEU QD 1 28 GLY HA2 . . 3.610 1.985 1.774 2.530 . 0 0 "[ . 1 . 2]" 1
1270 1 54 SER HA 1 59 LEU MD1 . . 3.540 2.358 1.994 2.798 . 0 0 "[ . 1 . 2]" 1
1271 1 54 SER HB2 1 59 LEU MD1 . . 3.760 3.046 2.458 3.385 . 0 0 "[ . 1 . 2]" 1
1272 1 54 SER HB3 1 59 LEU MD1 . . 3.700 1.933 1.818 2.290 . 0 0 "[ . 1 . 2]" 1
1273 1 44 PHE QE 1 103 LEU MD1 . . 4.110 2.612 2.359 2.926 . 0 0 "[ . 1 . 2]" 1
1274 1 44 PHE QD 1 103 LEU MD1 . . 3.680 2.617 2.398 2.885 . 0 0 "[ . 1 . 2]" 1
1275 1 103 LEU MD1 1 104 PHE HZ . . 4.460 4.033 3.434 4.469 0.009 9 0 "[ . 1 . 2]" 1
1276 1 36 GLY HA2 1 103 LEU MD1 . . 4.130 3.149 2.894 3.587 . 0 0 "[ . 1 . 2]" 1
1277 1 100 GLY HA2 1 103 LEU MD1 . . 4.260 3.806 3.214 4.167 . 0 0 "[ . 1 . 2]" 1
1278 1 36 GLY HA3 1 103 LEU MD1 . . 3.960 3.253 2.819 3.636 . 0 0 "[ . 1 . 2]" 1
1279 1 103 LEU HA 1 103 LEU MD1 . . 4.180 3.835 3.774 3.911 . 0 0 "[ . 1 . 2]" 1
1280 1 37 PRO HD2 1 103 LEU MD1 . . 3.880 2.996 2.845 3.247 . 0 0 "[ . 1 . 2]" 1
1281 1 37 PRO HD3 1 103 LEU MD1 . . 3.970 3.060 2.859 3.276 . 0 0 "[ . 1 . 2]" 1
1282 1 100 GLY HA3 1 103 LEU MD1 . . 4.110 2.502 1.977 2.931 . 0 0 "[ . 1 . 2]" 1
1283 1 37 PRO HG3 1 103 LEU MD1 . . 4.490 4.478 4.425 4.516 0.026 9 0 "[ . 1 . 2]" 1
1284 1 40 LYS HB3 1 103 LEU MD1 . . 4.050 2.951 2.492 3.484 . 0 0 "[ . 1 . 2]" 1
1285 1 40 LYS HD2 1 103 LEU MD1 . . 4.270 3.848 3.420 4.312 0.042 16 0 "[ . 1 . 2]" 1
1286 1 40 LYS HD3 1 103 LEU MD1 . . 4.340 2.845 1.927 4.196 . 0 0 "[ . 1 . 2]" 1
1287 1 40 LYS HG2 1 103 LEU MD1 . . 4.040 2.345 1.822 3.032 . 0 0 "[ . 1 . 2]" 1
1288 1 40 LYS HG3 1 103 LEU MD1 . . 4.130 3.605 2.905 4.139 0.009 11 0 "[ . 1 . 2]" 1
1289 1 105 MET HA 1 105 MET HG2 . . 4.010 2.633 2.001 4.215 0.205 5 0 "[ . 1 . 2]" 1
1290 1 76 LEU MD2 1 77 ASP H . . 3.600 2.321 2.211 2.408 . 0 0 "[ . 1 . 2]" 1
1291 1 76 LEU MD2 1 81 ALA H . . 4.250 3.715 3.522 3.762 . 0 0 "[ . 1 . 2]" 1
1292 1 76 LEU HA 1 76 LEU MD2 . . 3.310 1.903 1.878 1.919 . 0 0 "[ . 1 . 2]" 1
1293 1 76 LEU MD2 1 80 GLU HG2 . . 3.990 3.988 3.881 4.014 0.024 15 0 "[ . 1 . 2]" 1
1294 1 76 LEU MD2 1 80 GLU HG3 . . 3.950 3.250 2.996 3.506 . 0 0 "[ . 1 . 2]" 1
1295 1 76 LEU MD2 1 80 GLU HB2 . . 3.850 1.910 1.816 1.926 . 0 0 "[ . 1 . 2]" 1
1296 1 76 LEU MD2 1 80 GLU HB3 . . 3.600 1.863 1.848 1.877 . 0 0 "[ . 1 . 2]" 1
1297 1 99 ALA HA 1 101 ARG H . . 4.800 4.403 4.078 4.507 . 0 0 "[ . 1 . 2]" 1
1298 1 98 ALA MB 1 99 ALA HA . . 4.670 4.439 4.386 4.461 . 0 0 "[ . 1 . 2]" 1
1299 1 96 VAL MG1 1 99 ALA HA . . 4.260 2.646 2.554 2.730 . 0 0 "[ . 1 . 2]" 1
1300 1 18 LYS HA 1 95 ILE H . . 4.150 3.777 3.416 4.139 . 0 0 "[ . 1 . 2]" 1
1301 1 18 LYS HA 1 19 VAL H . . 3.070 2.190 2.176 2.248 . 0 0 "[ . 1 . 2]" 1
1302 1 17 LYS HA 1 18 LYS H . . 2.980 2.299 2.254 2.398 . 0 0 "[ . 1 . 2]" 1
1303 1 17 LYS HA 1 18 LYS HA . . 4.490 4.339 4.326 4.365 . 0 0 "[ . 1 . 2]" 1
1304 1 17 LYS HA 1 17 LYS QG . . 3.850 3.317 3.310 3.323 . 0 0 "[ . 1 . 2]" 1
1305 1 23 LEU HA 1 24 VAL H . . 3.630 2.539 2.378 2.702 . 0 0 "[ . 1 . 2]" 1
1306 1 23 LEU HA 1 53 LEU QD . . 3.660 2.425 1.894 3.138 . 0 0 "[ . 1 . 2]" 1
1307 1 53 LEU QD 1 56 GLU HG3 . . 4.370 3.382 2.952 3.997 . 0 0 "[ . 1 . 2]" 1
1308 1 76 LEU MD1 1 77 ASP H . . 3.990 3.560 3.454 3.623 . 0 0 "[ . 1 . 2]" 1
1309 1 76 LEU MD1 1 81 ALA H . . 4.160 3.495 3.360 3.673 . 0 0 "[ . 1 . 2]" 1
1310 1 73 PHE QD 1 76 LEU MD1 . . 4.080 2.214 2.103 2.300 . 0 0 "[ . 1 . 2]" 1
1311 1 73 PHE HZ 1 76 LEU MD1 . . 4.230 3.204 3.027 3.425 . 0 0 "[ . 1 . 2]" 1
1312 1 73 PHE QE 1 76 LEU MD1 . . 4.160 2.499 2.333 2.664 . 0 0 "[ . 1 . 2]" 1
1313 1 73 PHE HA 1 76 LEU MD1 . . 3.760 2.229 1.951 2.448 . 0 0 "[ . 1 . 2]" 1
1314 1 76 LEU MD1 1 81 ALA HA . . 3.470 2.071 1.996 2.173 . 0 0 "[ . 1 . 2]" 1
1315 1 76 LEU MD1 1 80 GLU HB2 . . 3.990 3.463 3.320 3.565 . 0 0 "[ . 1 . 2]" 1
1316 1 76 LEU MD1 1 80 GLU HB3 . . 3.640 3.221 3.128 3.560 . 0 0 "[ . 1 . 2]" 1
1317 1 76 LEU HB3 1 76 LEU MD1 . . 3.330 2.360 2.344 2.387 . 0 0 "[ . 1 . 2]" 1
1318 1 72 ASP HA 1 73 PHE H . . 3.070 2.359 2.338 2.384 . 0 0 "[ . 1 . 2]" 1
1319 1 81 ALA HA 1 85 LEU H . . 4.880 4.234 3.982 4.840 . 0 0 "[ . 1 . 2]" 1
1320 1 73 PHE HZ 1 81 ALA HA . . 3.920 2.672 2.490 2.860 . 0 0 "[ . 1 . 2]" 1
1321 1 73 PHE QE 1 81 ALA HA . . 4.270 2.786 2.655 2.935 . 0 0 "[ . 1 . 2]" 1
1322 1 81 ALA HA 1 84 VAL HB . . 3.790 2.915 2.673 3.155 . 0 0 "[ . 1 . 2]" 1
1323 1 81 ALA HA 1 84 VAL QG . . 3.770 3.329 2.954 3.518 . 0 0 "[ . 1 . 2]" 1
1324 1 81 ALA HA 1 85 LEU MD1 . . 4.770 4.028 3.615 4.395 . 0 0 "[ . 1 . 2]" 1
1325 1 43 ILE MD 1 81 ALA HA . . 4.460 4.467 4.443 4.486 0.026 5 0 "[ . 1 . 2]" 1
1326 1 76 LEU MD2 1 81 ALA HA . . 3.750 3.763 3.469 3.814 0.064 7 0 "[ . 1 . 2]" 1
1327 1 68 VAL H 1 72 ASP HA . . 4.790 4.659 4.578 4.796 0.006 13 0 "[ . 1 . 2]" 1
1328 1 72 ASP HA 1 73 PHE QD . . 4.970 4.121 3.980 4.339 . 0 0 "[ . 1 . 2]" 1
1329 1 72 ASP HA 1 73 PHE HB2 . . 4.540 4.352 4.309 4.379 . 0 0 "[ . 1 . 2]" 1
1330 1 67 GLU HB2 1 72 ASP HA . . 4.420 4.054 3.915 4.175 . 0 0 "[ . 1 . 2]" 1
1331 1 71 VAL MG1 1 72 ASP HA . . 4.830 3.947 3.825 4.188 . 0 0 "[ . 1 . 2]" 1
1332 1 85 LEU H 1 85 LEU MD2 . . 3.950 3.917 3.769 3.991 0.041 9 0 "[ . 1 . 2]" 1
1333 1 73 PHE HZ 1 85 LEU MD2 . . 4.060 3.489 3.261 3.675 . 0 0 "[ . 1 . 2]" 1
1334 1 73 PHE QE 1 85 LEU MD2 . . 4.250 3.398 3.123 3.648 . 0 0 "[ . 1 . 2]" 1
1335 1 85 LEU HA 1 85 LEU MD2 . . 2.940 2.047 1.964 2.209 . 0 0 "[ . 1 . 2]" 1
1336 1 85 LEU HB2 1 85 LEU MD2 . . 3.580 3.210 3.200 3.220 . 0 0 "[ . 1 . 2]" 1
1337 1 31 CYS HA 1 45 ILE MG . . 4.570 4.050 3.940 4.233 . 0 0 "[ . 1 . 2]" 1
1338 1 49 LYS HA 1 49 LYS HG2 . . 4.020 2.464 2.002 2.995 . 0 0 "[ . 1 . 2]" 1
1339 1 55 ALA HA 1 59 LEU H . . 4.170 2.818 2.352 3.464 . 0 0 "[ . 1 . 2]" 1
1340 1 55 ALA HA 1 58 GLY H . . 4.200 2.939 2.661 3.295 . 0 0 "[ . 1 . 2]" 1
1341 1 55 ALA HA 1 57 VAL H . . 4.690 4.043 3.839 4.288 . 0 0 "[ . 1 . 2]" 1
1342 1 55 ALA HA 1 58 GLY HA2 . . 4.620 3.417 2.975 3.816 . 0 0 "[ . 1 . 2]" 1
1343 1 48 VAL QG 1 55 ALA HA . . 3.240 2.949 2.580 3.176 . 0 0 "[ . 1 . 2]" 1
1344 1 60 GLU HA 1 61 ILE H . . 3.140 2.572 2.483 2.613 . 0 0 "[ . 1 . 2]" 1
1345 1 49 LYS HA 1 50 PRO HG3 . . 4.570 4.253 4.196 4.279 . 0 0 "[ . 1 . 2]" 1
1346 1 60 GLU HA 1 61 ILE QG . . 4.070 3.746 3.651 3.919 . 0 0 "[ . 1 . 2]" 1
1347 1 40 LYS HA 1 41 PRO QG . . 4.390 4.209 4.201 4.217 . 0 0 "[ . 1 . 2]" 1
1348 1 76 LEU HA 1 77 ASP H . . 2.940 2.826 2.811 2.843 . 0 0 "[ . 1 . 2]" 1
1349 1 76 LEU HA 1 76 LEU HG . . 4.160 2.793 2.656 2.847 . 0 0 "[ . 1 . 2]" 1
1350 1 59 LEU MD2 1 60 GLU H . . 3.780 2.904 2.678 3.073 . 0 0 "[ . 1 . 2]" 1
1351 1 59 LEU HA 1 59 LEU MD2 . . 3.010 1.961 1.933 2.037 . 0 0 "[ . 1 . 2]" 1
1352 1 59 LEU MD2 1 63 ASP HB3 . . 4.580 2.429 2.172 2.638 . 0 0 "[ . 1 . 2]" 1
1353 1 68 VAL MG2 1 69 ASN H . . 4.260 4.123 4.025 4.163 . 0 0 "[ . 1 . 2]" 1
1354 1 68 VAL MG2 1 94 SER H . . 4.200 3.117 3.027 3.270 . 0 0 "[ . 1 . 2]" 1
1355 1 68 VAL H 1 68 VAL MG2 . . 3.890 3.098 3.035 3.172 . 0 0 "[ . 1 . 2]" 1
1356 1 68 VAL MG2 1 73 PHE HZ . . 3.730 3.308 3.063 3.540 . 0 0 "[ . 1 . 2]" 1
1357 1 68 VAL MG2 1 73 PHE QE . . 3.890 2.727 2.502 2.854 . 0 0 "[ . 1 . 2]" 1
1358 1 68 VAL HA 1 68 VAL MG2 . . 3.370 2.337 2.290 2.373 . 0 0 "[ . 1 . 2]" 1
1359 1 68 VAL MG2 1 93 ILE HA . . 3.700 2.310 2.193 2.461 . 0 0 "[ . 1 . 2]" 1
1360 1 68 VAL MG2 1 93 ILE HG13 . . 4.060 3.226 3.079 3.418 . 0 0 "[ . 1 . 2]" 1
1361 1 68 VAL MG2 1 93 ILE MG . . 2.980 2.189 1.997 2.387 . 0 0 "[ . 1 . 2]" 1
1362 1 82 VAL H 1 82 VAL MG2 . . 3.060 2.589 2.336 2.922 . 0 0 "[ . 1 . 2]" 1
1363 1 81 ALA H 1 82 VAL MG2 . . 4.470 4.200 4.037 4.451 . 0 0 "[ . 1 . 2]" 1
1364 1 78 HIS HD2 1 82 VAL MG2 . . 4.380 4.277 3.990 4.393 0.013 17 0 "[ . 1 . 2]" 1
1365 1 79 LYS HA 1 82 VAL MG2 . . 3.600 3.595 3.500 3.634 0.034 4 0 "[ . 1 . 2]" 1
1366 1 33 ILE HG13 1 82 VAL MG2 . . 3.700 3.499 3.215 3.655 . 0 0 "[ . 1 . 2]" 1
1367 1 91 LEU HA 1 92 THR H . . 3.120 2.310 2.271 2.428 . 0 0 "[ . 1 . 2]" 1
1368 1 69 ASN HD22 1 91 LEU HA . . 4.360 2.756 2.547 2.964 . 0 0 "[ . 1 . 2]" 1
1369 1 69 ASN HD21 1 91 LEU HA . . 3.690 3.386 3.126 3.535 . 0 0 "[ . 1 . 2]" 1
1370 1 91 LEU HA 1 92 THR HB . . 4.970 4.439 4.187 4.731 . 0 0 "[ . 1 . 2]" 1
1371 1 91 LEU HA 1 91 LEU HG . . 4.080 2.619 2.568 2.713 . 0 0 "[ . 1 . 2]" 1
1372 1 64 GLN HA 1 65 ILE H . . 3.350 2.227 2.203 2.263 . 0 0 "[ . 1 . 2]" 1
1373 1 44 PHE QD 1 64 GLN HA . . 4.110 3.462 3.338 3.653 . 0 0 "[ . 1 . 2]" 1
1374 1 64 GLN HA 1 64 GLN HG2 . . 4.270 3.014 2.723 3.121 . 0 0 "[ . 1 . 2]" 1
1375 1 69 ASN HA 1 69 ASN HD22 . . 4.900 4.461 4.447 4.466 . 0 0 "[ . 1 . 2]" 1
1376 1 68 VAL MG1 1 69 ASN HA . . 4.710 4.051 3.869 4.176 . 0 0 "[ . 1 . 2]" 1
1377 1 64 GLN HA 1 64 GLN HG3 . . 4.060 2.751 2.624 3.014 . 0 0 "[ . 1 . 2]" 1
1378 1 84 VAL QG 1 85 LEU H . . 3.940 3.429 3.358 3.517 . 0 0 "[ . 1 . 2]" 1
1379 1 73 PHE HZ 1 84 VAL QG . . 3.410 2.335 1.973 2.736 . 0 0 "[ . 1 . 2]" 1
1380 1 73 PHE QE 1 84 VAL QG . . 3.360 1.854 1.787 1.980 . 0 0 "[ . 1 . 2]" 1
1381 1 80 GLU HA 1 84 VAL QG . . 4.500 3.490 3.345 3.775 . 0 0 "[ . 1 . 2]" 1
1382 1 83 ASN HB2 1 84 VAL QG . . 4.450 4.283 3.448 4.399 . 0 0 "[ . 1 . 2]" 1
1383 1 83 ASN HB3 1 84 VAL QG . . 4.260 2.870 2.750 3.151 . 0 0 "[ . 1 . 2]" 1
1384 1 76 LEU MD2 1 84 VAL QG . . 3.730 2.958 2.788 3.179 . 0 0 "[ . 1 . 2]" 1
1385 1 76 LEU MD1 1 84 VAL QG . . 3.690 2.503 2.273 2.753 . 0 0 "[ . 1 . 2]" 1
1386 1 98 ALA HA 1 100 GLY H . . 4.750 4.275 3.921 4.524 . 0 0 "[ . 1 . 2]" 1
1387 1 98 ALA HA 1 101 ARG QD . . 4.880 4.556 3.900 4.893 0.013 13 0 "[ . 1 . 2]" 1
1388 1 98 ALA HA 1 101 ARG QB . . 4.310 3.608 2.887 3.836 . 0 0 "[ . 1 . 2]" 1
1389 1 98 ALA HA 1 101 ARG QG . . 4.160 2.828 2.432 4.056 . 0 0 "[ . 1 . 2]" 1
1390 1 77 ASP HA 1 78 HIS H . . 3.340 2.604 2.588 2.656 . 0 0 "[ . 1 . 2]" 1
1391 1 77 ASP HA 1 78 HIS HA . . 4.800 4.340 4.338 4.345 . 0 0 "[ . 1 . 2]" 1
1392 1 76 LEU HA 1 77 ASP HA . . 4.840 4.447 4.432 4.463 . 0 0 "[ . 1 . 2]" 1
1393 1 97 ALA HA 1 98 ALA H . . 3.070 2.262 2.251 2.273 . 0 0 "[ . 1 . 2]" 1
1394 1 97 ALA HA 1 99 ALA H . . 4.530 4.492 4.386 4.540 0.010 3 0 "[ . 1 . 2]" 1
1395 1 63 ASP HB3 1 97 ALA HA . . 4.550 4.531 4.342 4.602 0.052 20 0 "[ . 1 . 2]" 1
1396 1 97 ALA HA 1 98 ALA MB . . 4.420 3.834 3.779 3.878 . 0 0 "[ . 1 . 2]" 1
1397 1 96 VAL H 1 96 VAL MG1 . . 4.240 3.750 3.731 3.772 . 0 0 "[ . 1 . 2]" 1
1398 1 96 VAL MG1 1 99 ALA H . . 4.150 4.167 4.151 4.191 0.041 16 0 "[ . 1 . 2]" 1
1399 1 16 GLU HA 1 96 VAL MG1 . . 4.450 3.539 3.480 3.611 . 0 0 "[ . 1 . 2]" 1
1400 1 96 VAL HA 1 96 VAL MG1 . . 3.100 2.388 2.373 2.405 . 0 0 "[ . 1 . 2]" 1
1401 1 66 VAL MG1 1 96 VAL H . . 4.180 3.683 3.524 3.835 . 0 0 "[ . 1 . 2]" 1
1402 1 66 VAL H 1 66 VAL MG1 . . 3.610 2.567 2.418 2.639 . 0 0 "[ . 1 . 2]" 1
1403 1 64 GLN HE21 1 66 VAL MG1 . . 3.940 3.438 2.989 3.795 . 0 0 "[ . 1 . 2]" 1
1404 1 64 GLN HE22 1 66 VAL MG1 . . 4.080 3.661 2.695 4.089 0.009 10 0 "[ . 1 . 2]" 1
1405 1 66 VAL MG1 1 95 ILE HA . . 4.540 3.337 3.063 3.608 . 0 0 "[ . 1 . 2]" 1
1406 1 66 VAL HA 1 66 VAL MG1 . . 3.220 2.348 2.331 2.428 . 0 0 "[ . 1 . 2]" 1
1407 1 65 ILE HA 1 66 VAL MG1 . . 4.300 3.756 3.619 3.803 . 0 0 "[ . 1 . 2]" 1
1408 1 66 VAL MG1 1 96 VAL HB . . 3.880 3.622 3.430 3.855 . 0 0 "[ . 1 . 2]" 1
1409 1 103 LEU MD2 1 104 PHE H . . 5.010 4.699 4.574 4.811 . 0 0 "[ . 1 . 2]" 1
1410 1 36 GLY HA2 1 103 LEU MD2 . . 4.570 4.058 3.747 4.390 . 0 0 "[ . 1 . 2]" 1
1411 1 36 GLY HA3 1 103 LEU MD2 . . 4.430 4.470 4.114 4.587 0.157 9 0 "[ . 1 . 2]" 1
1412 1 103 LEU HA 1 103 LEU MD2 . . 2.960 1.991 1.929 2.080 . 0 0 "[ . 1 . 2]" 1
1413 1 37 PRO HD2 1 103 LEU MD2 . . 3.680 3.004 2.771 3.218 . 0 0 "[ . 1 . 2]" 1
1414 1 37 PRO HD3 1 103 LEU MD2 . . 3.690 2.851 2.545 3.085 . 0 0 "[ . 1 . 2]" 1
1415 1 102 GLU HG2 1 103 LEU MD2 . . 4.200 3.544 2.730 4.209 0.009 18 0 "[ . 1 . 2]" 1
1416 1 37 PRO HG3 1 103 LEU MD2 . . 3.440 3.184 2.926 3.327 . 0 0 "[ . 1 . 2]" 1
1417 1 40 LYS HB3 1 103 LEU MD2 . . 3.750 2.493 2.088 2.999 . 0 0 "[ . 1 . 2]" 1
1418 1 40 LYS HD2 1 103 LEU MD2 . . 4.150 3.469 2.282 4.211 0.061 9 0 "[ . 1 . 2]" 1
1419 1 40 LYS HD3 1 103 LEU MD2 . . 4.180 2.727 2.177 3.189 . 0 0 "[ . 1 . 2]" 1
1420 1 68 VAL MG1 1 69 ASN H . . 3.520 2.821 2.483 3.096 . 0 0 "[ . 1 . 2]" 1
1421 1 68 VAL MG1 1 92 THR H . . 3.920 3.535 3.262 3.723 . 0 0 "[ . 1 . 2]" 1
1422 1 68 VAL H 1 68 VAL MG1 . . 3.930 3.900 3.874 3.924 . 0 0 "[ . 1 . 2]" 1
1423 1 68 VAL MG1 1 69 ASN HD21 . . 4.460 4.251 4.127 4.392 . 0 0 "[ . 1 . 2]" 1
1424 1 68 VAL MG1 1 73 PHE HZ . . 4.430 2.915 2.800 3.136 . 0 0 "[ . 1 . 2]" 1
1425 1 68 VAL MG1 1 73 PHE QE . . 4.430 3.182 3.002 3.260 . 0 0 "[ . 1 . 2]" 1
1426 1 68 VAL MG1 1 91 LEU HA . . 4.150 4.162 4.120 4.198 0.048 14 0 "[ . 1 . 2]" 1
1427 1 68 VAL HA 1 68 VAL MG1 . . 3.290 2.459 2.349 2.491 . 0 0 "[ . 1 . 2]" 1
1428 1 68 VAL MG1 1 69 ASN HB2 . . 4.370 2.480 2.391 2.682 . 0 0 "[ . 1 . 2]" 1
1429 1 68 VAL MG1 1 69 ASN HB3 . . 3.870 3.910 3.798 4.056 0.186 20 0 "[ . 1 . 2]" 1
1430 1 68 VAL MG1 1 85 LEU HG . . 4.680 3.000 2.734 3.302 . 0 0 "[ . 1 . 2]" 1
1431 1 68 VAL MG1 1 93 ILE HG13 . . 3.960 2.483 2.252 2.775 . 0 0 "[ . 1 . 2]" 1
1432 1 68 VAL MG1 1 84 VAL QG . . 3.130 2.484 2.185 2.685 . 0 0 "[ . 1 . 2]" 1
1433 1 106 THR HA 1 106 THR MG . . 3.590 2.733 2.189 3.238 . 0 0 "[ . 1 . 2]" 1
1434 1 92 THR MG 1 93 ILE H . . 3.630 3.375 3.268 3.478 . 0 0 "[ . 1 . 2]" 1
1435 1 69 ASN H 1 92 THR MG . . 4.120 3.595 3.074 4.001 . 0 0 "[ . 1 . 2]" 1
1436 1 92 THR H 1 92 THR MG . . 3.920 3.739 3.580 3.823 . 0 0 "[ . 1 . 2]" 1
1437 1 20 PHE QD 1 92 THR MG . . 3.810 3.346 2.485 3.809 . 0 0 "[ . 1 . 2]" 1
1438 1 20 PHE HA 1 92 THR MG . . 4.350 3.635 3.239 3.913 . 0 0 "[ . 1 . 2]" 1
1439 1 18 LYS HA 1 92 THR MG . . 4.630 3.943 3.685 4.118 . 0 0 "[ . 1 . 2]" 1
1440 1 92 THR HA 1 92 THR MG . . 3.240 2.435 2.203 2.629 . 0 0 "[ . 1 . 2]" 1
1441 1 69 ASN HA 1 92 THR MG . . 4.420 3.856 3.509 4.162 . 0 0 "[ . 1 . 2]" 1
1442 1 71 VAL MG1 1 72 ASP H . . 3.470 2.035 1.922 2.364 . 0 0 "[ . 1 . 2]" 1
1443 1 71 VAL MG1 1 73 PHE QD . . 3.730 2.032 1.961 2.328 . 0 0 "[ . 1 . 2]" 1
1444 1 71 VAL MG1 1 73 PHE HA . . 4.350 3.731 3.634 3.852 . 0 0 "[ . 1 . 2]" 1
1445 1 71 VAL MG1 1 72 ASP QB . . 4.280 3.475 3.426 3.609 . 0 0 "[ . 1 . 2]" 1
1446 1 71 VAL MG1 1 76 LEU MD2 . . 3.400 3.417 3.366 3.459 0.059 13 0 "[ . 1 . 2]" 1
1447 1 71 VAL MG1 1 76 LEU MD1 . . 3.390 2.083 1.933 2.278 . 0 0 "[ . 1 . 2]" 1
1448 1 82 VAL H 1 82 VAL MG1 . . 3.820 3.637 3.570 3.674 . 0 0 "[ . 1 . 2]" 1
1449 1 82 VAL MG1 1 83 ASN HA . . 3.960 3.309 3.020 3.532 . 0 0 "[ . 1 . 2]" 1
1450 1 79 LYS HA 1 82 VAL MG1 . . 4.120 3.756 3.546 3.920 . 0 0 "[ . 1 . 2]" 1
1451 1 82 VAL HA 1 82 VAL MG1 . . 3.170 2.529 2.474 2.597 . 0 0 "[ . 1 . 2]" 1
1452 1 48 VAL QG 1 49 LYS H . . 3.670 2.618 2.123 2.916 . 0 0 "[ . 1 . 2]" 1
1453 1 31 CYS HA 1 48 VAL QG . . 4.230 3.119 2.873 3.485 . 0 0 "[ . 1 . 2]" 1
1454 1 48 VAL HA 1 48 VAL QG . . 3.280 2.225 2.016 2.493 . 0 0 "[ . 1 . 2]" 1
1455 1 48 VAL QG 1 61 ILE QG . . 3.490 2.709 2.325 3.165 . 0 0 "[ . 1 . 2]" 1
1456 1 48 VAL H 1 48 VAL QG . . 3.940 2.748 2.223 3.121 . 0 0 "[ . 1 . 2]" 1
1457 1 48 VAL QG 1 60 GLU HA . . 3.450 2.422 1.954 2.892 . 0 0 "[ . 1 . 2]" 1
1458 1 48 VAL QG 1 54 SER HB2 . . 3.630 2.083 1.767 2.361 . 0 0 "[ . 1 . 2]" 1
1459 1 48 VAL QG 1 54 SER HB3 . . 3.860 3.274 2.862 3.586 . 0 0 "[ . 1 . 2]" 1
1460 1 31 CYS HB2 1 48 VAL QG . . 3.960 2.532 1.958 3.515 . 0 0 "[ . 1 . 2]" 1
1461 1 31 CYS HB3 1 48 VAL QG . . 3.990 2.171 1.916 2.629 . 0 0 "[ . 1 . 2]" 1
1462 1 24 VAL H 1 24 VAL QG . . 3.580 2.120 1.941 2.259 . 0 0 "[ . 1 . 2]" 1
1463 1 24 VAL HA 1 24 VAL QG . . 3.170 2.408 2.133 2.462 . 0 0 "[ . 1 . 2]" 1
1464 1 96 VAL H 1 96 VAL MG2 . . 3.510 2.792 2.718 2.847 . 0 0 "[ . 1 . 2]" 1
1465 1 95 ILE HA 1 96 VAL MG2 . . 4.460 3.402 3.320 3.468 . 0 0 "[ . 1 . 2]" 1
1466 1 16 GLU HA 1 96 VAL MG2 . . 3.830 2.976 2.723 3.527 . 0 0 "[ . 1 . 2]" 1
1467 1 96 VAL HA 1 96 VAL MG2 . . 3.190 2.347 2.302 2.387 . 0 0 "[ . 1 . 2]" 1
1468 1 16 GLU HG3 1 96 VAL MG2 . . 3.860 2.247 1.960 2.984 . 0 0 "[ . 1 . 2]" 1
1469 1 16 GLU HG2 1 96 VAL MG2 . . 3.550 2.517 2.116 2.727 . 0 0 "[ . 1 . 2]" 1
1470 1 19 VAL H 1 19 VAL MG1 . . 3.780 3.239 2.972 3.438 . 0 0 "[ . 1 . 2]" 1
1471 1 19 VAL MG1 1 20 PHE H . . 3.780 3.732 3.521 3.812 0.032 10 0 "[ . 1 . 2]" 1
1472 1 18 LYS HA 1 19 VAL MG1 . . 4.420 4.092 3.567 4.328 . 0 0 "[ . 1 . 2]" 1
1473 1 19 VAL HA 1 19 VAL MG1 . . 3.250 2.215 2.118 2.378 . 0 0 "[ . 1 . 2]" 1
1474 1 17 LYS QE 1 19 VAL MG1 . . 4.000 3.352 2.047 3.868 . 0 0 "[ . 1 . 2]" 1
1475 1 19 VAL MG1 1 57 VAL HB . . 3.450 2.294 2.063 2.565 . 0 0 "[ . 1 . 2]" 1
1476 1 57 VAL MG1 1 59 LEU H . . 4.830 4.616 4.253 4.857 0.027 5 0 "[ . 1 . 2]" 1
1477 1 57 VAL MG1 1 58 GLY H . . 4.320 3.955 3.595 4.225 . 0 0 "[ . 1 . 2]" 1
1478 1 57 VAL H 1 57 VAL MG1 . . 3.330 2.338 1.937 2.677 . 0 0 "[ . 1 . 2]" 1
1479 1 57 VAL HA 1 57 VAL MG1 . . 3.070 2.347 2.221 2.592 . 0 0 "[ . 1 . 2]" 1
1480 1 54 SER HA 1 57 VAL MG1 . . 4.500 3.044 2.216 3.766 . 0 0 "[ . 1 . 2]" 1
1481 1 56 GLU HG3 1 57 VAL MG1 . . 3.970 2.036 1.883 2.386 . 0 0 "[ . 1 . 2]" 1
1482 1 71 VAL HA 1 71 VAL MG2 . . 3.090 2.439 2.403 2.460 . 0 0 "[ . 1 . 2]" 1
1483 1 69 ASN HB3 1 71 VAL MG2 . . 4.270 2.780 2.647 2.870 . 0 0 "[ . 1 . 2]" 1
1484 1 23 LEU HA 1 24 VAL QG . . 4.070 3.697 3.555 3.812 . 0 0 "[ . 1 . 2]" 1
1485 1 48 VAL QG 1 54 SER H . . 4.830 3.527 3.209 3.836 . 0 0 "[ . 1 . 2]" 1
1486 1 48 VAL QG 1 52 SER HG . . 4.200 2.152 1.839 2.787 . 0 0 "[ . 1 . 2]" 1
1487 1 48 VAL QG 1 54 SER HG . . 4.030 3.216 2.026 3.751 . 0 0 "[ . 1 . 2]" 1
1488 1 48 VAL QG 1 52 SER HB3 . . 4.230 3.600 3.177 4.054 . 0 0 "[ . 1 . 2]" 1
1489 1 48 VAL QG 1 49 LYS QB . . 4.560 3.782 3.637 3.963 . 0 0 "[ . 1 . 2]" 1
1490 1 99 ALA MB 1 100 GLY H . . 3.600 2.076 1.919 2.352 . 0 0 "[ . 1 . 2]" 1
1491 1 96 VAL H 1 99 ALA MB . . 4.670 2.657 2.546 2.749 . 0 0 "[ . 1 . 2]" 1
1492 1 64 GLN H 1 99 ALA MB . . 3.680 2.127 2.002 2.283 . 0 0 "[ . 1 . 2]" 1
1493 1 99 ALA H 1 99 ALA MB . . 2.930 1.984 1.963 2.003 . 0 0 "[ . 1 . 2]" 1
1494 1 44 PHE QE 1 99 ALA MB . . 3.420 3.369 3.269 3.427 0.007 6 0 "[ . 1 . 2]" 1
1495 1 44 PHE QD 1 99 ALA MB . . 3.650 3.663 3.622 3.689 0.039 20 0 "[ . 1 . 2]" 1
1496 1 63 ASP HA 1 99 ALA MB . . 4.350 3.499 3.311 3.702 . 0 0 "[ . 1 . 2]" 1
1497 1 64 GLN HA 1 99 ALA MB . . 4.330 4.017 3.942 4.101 . 0 0 "[ . 1 . 2]" 1
1498 1 99 ALA MB 1 100 GLY HA3 . . 4.860 3.627 3.590 3.696 . 0 0 "[ . 1 . 2]" 1
1499 1 96 VAL MG1 1 99 ALA MB . . 2.900 2.584 2.472 2.774 . 0 0 "[ . 1 . 2]" 1
1500 1 96 VAL MG2 1 99 ALA MB . . 3.880 2.857 2.765 2.931 . 0 0 "[ . 1 . 2]" 1
1501 1 49 LYS HA 1 50 PRO HD3 . . 3.090 1.989 1.924 2.019 . 0 0 "[ . 1 . 2]" 1
1502 1 49 LYS QB 1 50 PRO HD3 . . 4.200 3.408 3.150 3.747 . 0 0 "[ . 1 . 2]" 1
1503 1 49 LYS HG2 1 50 PRO HD3 . . 4.610 3.007 2.418 3.359 . 0 0 "[ . 1 . 2]" 1
1504 1 49 LYS HA 1 50 PRO HD2 . . 3.190 2.698 2.538 2.761 . 0 0 "[ . 1 . 2]" 1
1505 1 49 LYS QB 1 50 PRO HD2 . . 4.090 2.508 2.160 3.017 . 0 0 "[ . 1 . 2]" 1
1506 1 49 LYS HG2 1 50 PRO HD2 . . 4.370 2.548 2.062 3.174 . 0 0 "[ . 1 . 2]" 1
1507 1 19 VAL MG2 1 93 ILE H . . 4.010 3.065 2.374 3.372 . 0 0 "[ . 1 . 2]" 1
1508 1 19 VAL H 1 19 VAL MG2 . . 3.350 2.014 1.893 2.288 . 0 0 "[ . 1 . 2]" 1
1509 1 18 LYS HA 1 19 VAL MG2 . . 4.050 3.363 3.096 3.644 . 0 0 "[ . 1 . 2]" 1
1510 1 19 VAL HA 1 19 VAL MG2 . . 3.590 3.182 3.146 3.215 . 0 0 "[ . 1 . 2]" 1
1511 1 17 LYS QE 1 19 VAL MG2 . . 4.500 4.324 2.948 4.546 0.046 19 0 "[ . 1 . 2]" 1
1512 1 57 VAL MG2 1 58 GLY H . . 3.920 2.418 2.225 2.935 . 0 0 "[ . 1 . 2]" 1
1513 1 57 VAL H 1 57 VAL MG2 . . 3.080 2.192 1.893 2.531 . 0 0 "[ . 1 . 2]" 1
1514 1 54 SER HA 1 57 VAL MG2 . . 3.250 2.104 1.923 2.772 . 0 0 "[ . 1 . 2]" 1
1515 1 57 VAL MG2 1 58 GLY HA2 . . 4.430 4.005 3.897 4.307 . 0 0 "[ . 1 . 2]" 1
1516 1 57 VAL MG2 1 58 GLY HA3 . . 4.430 3.807 3.603 4.213 . 0 0 "[ . 1 . 2]" 1
1517 1 65 ILE MG 1 94 SER H . . 4.340 3.135 2.917 3.280 . 0 0 "[ . 1 . 2]" 1
1518 1 65 ILE MG 1 66 VAL H . . 3.510 3.131 2.987 3.234 . 0 0 "[ . 1 . 2]" 1
1519 1 65 ILE MG 1 67 GLU H . . 3.550 2.701 2.561 2.770 . 0 0 "[ . 1 . 2]" 1
1520 1 65 ILE MG 1 73 PHE QD . . 3.830 2.014 1.859 2.257 . 0 0 "[ . 1 . 2]" 1
1521 1 65 ILE MG 1 73 PHE QE . . 4.120 3.080 2.673 3.411 . 0 0 "[ . 1 . 2]" 1
1522 1 65 ILE MG 1 95 ILE HA . . 4.760 4.599 4.387 4.789 0.029 16 0 "[ . 1 . 2]" 1
1523 1 65 ILE MG 1 68 VAL HA . . 4.750 3.886 3.836 3.949 . 0 0 "[ . 1 . 2]" 1
1524 1 65 ILE MG 1 93 ILE HA . . 4.730 3.488 3.406 3.603 . 0 0 "[ . 1 . 2]" 1
1525 1 65 ILE MG 1 66 VAL HA . . 4.610 4.045 3.853 4.172 . 0 0 "[ . 1 . 2]" 1
1526 1 65 ILE HA 1 65 ILE MG . . 3.370 2.371 2.263 2.498 . 0 0 "[ . 1 . 2]" 1
1527 1 65 ILE MG 1 73 PHE HB3 . . 4.480 2.267 1.970 2.698 . 0 0 "[ . 1 . 2]" 1
1528 1 65 ILE MG 1 73 PHE HB2 . . 4.400 2.502 2.204 2.901 . 0 0 "[ . 1 . 2]" 1
1529 1 65 ILE MG 1 68 VAL HB . . 4.190 3.657 3.631 3.698 . 0 0 "[ . 1 . 2]" 1
1530 1 43 ILE MG 1 65 ILE MG . . 3.990 3.602 3.448 3.834 . 0 0 "[ . 1 . 2]" 1
1531 1 65 ILE MD 1 65 ILE MG . . 2.830 2.304 2.134 2.793 . 0 0 "[ . 1 . 2]" 1
1532 1 65 ILE MG 1 68 VAL MG2 . . 2.840 1.626 1.616 1.642 . 0 0 "[ . 1 . 2]" 1
1533 1 66 VAL MG2 1 95 ILE HA . . 3.830 3.144 2.895 3.664 . 0 0 "[ . 1 . 2]" 1
1534 1 66 VAL H 1 66 VAL MG2 . . 3.120 2.216 2.140 2.247 . 0 0 "[ . 1 . 2]" 1
1535 1 66 VAL MG2 1 67 GLU H . . 3.500 2.276 2.147 2.383 . 0 0 "[ . 1 . 2]" 1
1536 1 65 ILE HA 1 66 VAL MG2 . . 4.120 3.956 3.886 4.014 . 0 0 "[ . 1 . 2]" 1
1537 1 66 VAL MG2 1 94 SER HB3 . . 3.460 2.441 2.285 2.706 . 0 0 "[ . 1 . 2]" 1
1538 1 66 VAL MG2 1 94 SER HB2 . . 3.480 3.421 3.320 3.526 0.046 20 0 "[ . 1 . 2]" 1
1539 1 66 VAL MG2 1 67 GLU HB3 . . 4.180 2.685 2.644 2.811 . 0 0 "[ . 1 . 2]" 1
1540 1 34 SER H 1 43 ILE MG . . 4.240 3.417 3.251 3.682 . 0 0 "[ . 1 . 2]" 1
1541 1 43 ILE MG 1 44 PHE H . . 3.580 2.859 2.532 3.117 . 0 0 "[ . 1 . 2]" 1
1542 1 43 ILE H 1 43 ILE MG . . 4.230 3.823 3.774 3.883 . 0 0 "[ . 1 . 2]" 1
1543 1 43 ILE MG 1 73 PHE QD . . 3.490 3.280 3.096 3.443 . 0 0 "[ . 1 . 2]" 1
1544 1 43 ILE MG 1 73 PHE QE . . 3.840 3.583 3.404 3.847 0.007 1 0 "[ . 1 . 2]" 1
1545 1 33 ILE HA 1 43 ILE MG . . 4.460 3.818 3.680 3.962 . 0 0 "[ . 1 . 2]" 1
1546 1 33 ILE HB 1 43 ILE MG . . 3.080 2.123 1.967 2.311 . 0 0 "[ . 1 . 2]" 1
1547 1 43 ILE MG 1 65 ILE HB . . 3.490 2.669 2.478 2.951 . 0 0 "[ . 1 . 2]" 1
1548 1 43 ILE HG13 1 43 ILE MG . . 3.410 2.472 2.385 2.534 . 0 0 "[ . 1 . 2]" 1
1549 1 43 ILE MD 1 43 ILE MG . . 2.660 1.902 1.869 1.966 . 0 0 "[ . 1 . 2]" 1
1550 1 33 ILE MG 1 34 SER H . . 3.790 3.789 3.726 3.815 0.025 18 0 "[ . 1 . 2]" 1
1551 1 33 ILE H 1 33 ILE MG . . 3.830 2.927 2.853 2.996 . 0 0 "[ . 1 . 2]" 1
1552 1 33 ILE HA 1 33 ILE MG . . 3.180 2.181 2.143 2.259 . 0 0 "[ . 1 . 2]" 1
1553 1 32 SER HA 1 33 ILE MG . . 4.550 3.764 3.584 3.865 . 0 0 "[ . 1 . 2]" 1
1554 1 33 ILE MG 1 45 ILE HA . . 3.430 2.668 2.521 2.808 . 0 0 "[ . 1 . 2]" 1
1555 1 110 GLY HA2 1 111 PRO QD . . 3.540 2.102 1.869 3.457 . 0 0 "[ . 1 . 2]" 1
1556 1 110 GLY HA3 1 111 PRO QD . . 3.570 2.944 2.133 3.442 . 0 0 "[ . 1 . 2]" 1
1557 1 81 ALA H 1 81 ALA MB . . 2.960 2.157 2.133 2.180 . 0 0 "[ . 1 . 2]" 1
1558 1 80 GLU H 1 81 ALA MB . . 4.340 4.073 3.970 4.113 . 0 0 "[ . 1 . 2]" 1
1559 1 81 ALA MB 1 83 ASN H . . 4.880 4.699 4.504 4.894 0.014 15 0 "[ . 1 . 2]" 1
1560 1 73 PHE QD 1 81 ALA MB . . 4.140 2.884 2.702 3.074 . 0 0 "[ . 1 . 2]" 1
1561 1 73 PHE QE 1 81 ALA MB . . 3.630 2.153 1.999 2.331 . 0 0 "[ . 1 . 2]" 1
1562 1 78 HIS HA 1 81 ALA MB . . 3.340 2.909 2.884 2.940 . 0 0 "[ . 1 . 2]" 1
1563 1 81 ALA MB 1 82 VAL HB . . 4.670 4.434 4.360 4.498 . 0 0 "[ . 1 . 2]" 1
1564 1 76 LEU HG 1 81 ALA MB . . 4.460 4.459 4.404 4.499 0.039 4 0 "[ . 1 . 2]" 1
1565 1 76 LEU MD2 1 81 ALA MB . . 3.800 3.788 3.604 3.811 0.011 3 0 "[ . 1 . 2]" 1
1566 1 76 LEU MD1 1 81 ALA MB . . 3.600 2.541 2.487 2.628 . 0 0 "[ . 1 . 2]" 1
1567 1 21 ILE H 1 21 ILE MG . . 4.510 3.669 3.243 3.763 . 0 0 "[ . 1 . 2]" 1
1568 1 21 ILE MG 1 23 LEU H . . 4.570 4.083 3.498 4.550 . 0 0 "[ . 1 . 2]" 1
1569 1 21 ILE MG 1 22 SER H . . 3.800 2.964 2.643 3.455 . 0 0 "[ . 1 . 2]" 1
1570 1 21 ILE HA 1 21 ILE MG . . 3.250 2.487 2.343 2.854 . 0 0 "[ . 1 . 2]" 1
1571 1 21 ILE MG 1 23 LEU HA . . 4.580 4.194 3.914 4.589 0.009 11 0 "[ . 1 . 2]" 1
1572 1 21 ILE MG 1 22 SER QB . . 4.660 4.545 4.324 4.697 0.037 9 0 "[ . 1 . 2]" 1
1573 1 45 ILE MG 1 62 GLY H . . 4.000 3.350 3.201 3.564 . 0 0 "[ . 1 . 2]" 1
1574 1 45 ILE MG 1 46 SER H . . 3.690 2.181 2.015 2.391 . 0 0 "[ . 1 . 2]" 1
1575 1 32 SER H 1 45 ILE MG . . 4.100 3.251 2.899 3.520 . 0 0 "[ . 1 . 2]" 1
1576 1 45 ILE MG 1 60 GLU H . . 4.970 4.440 4.199 4.697 . 0 0 "[ . 1 . 2]" 1
1577 1 45 ILE MG 1 61 ILE H . . 4.640 3.648 3.380 3.942 . 0 0 "[ . 1 . 2]" 1
1578 1 45 ILE MG 1 63 ASP H . . 4.440 4.224 4.059 4.342 . 0 0 "[ . 1 . 2]" 1
1579 1 33 ILE HA 1 45 ILE MG . . 4.170 4.145 4.052 4.189 0.019 19 0 "[ . 1 . 2]" 1
1580 1 45 ILE HA 1 45 ILE MG . . 3.450 2.561 2.511 2.632 . 0 0 "[ . 1 . 2]" 1
1581 1 45 ILE MG 1 46 SER HA . . 4.580 3.579 3.367 3.669 . 0 0 "[ . 1 . 2]" 1
1582 1 45 ILE MG 1 63 ASP HB2 . . 4.790 4.038 3.965 4.100 . 0 0 "[ . 1 . 2]" 1
1583 1 45 ILE HG13 1 45 ILE MG . . 3.600 3.223 3.216 3.232 . 0 0 "[ . 1 . 2]" 1
1584 1 45 ILE MG 1 61 ILE QG . . 3.810 2.507 2.361 2.593 . 0 0 "[ . 1 . 2]" 1
1585 1 45 ILE HG12 1 45 ILE MG . . 3.480 2.563 2.535 2.610 . 0 0 "[ . 1 . 2]" 1
1586 1 45 ILE MD 1 45 ILE MG . . 2.970 1.895 1.850 1.929 . 0 0 "[ . 1 . 2]" 1
1587 1 45 ILE MG 1 48 VAL QG . . 2.860 2.110 1.772 2.597 . 0 0 "[ . 1 . 2]" 1
1588 1 40 LYS HA 1 41 PRO HD2 . . 3.160 2.413 2.405 2.421 . 0 0 "[ . 1 . 2]" 1
1589 1 40 LYS HG3 1 41 PRO HD2 . . 4.520 4.317 4.167 4.618 0.098 19 0 "[ . 1 . 2]" 1
1590 1 40 LYS HA 1 41 PRO HD3 . . 3.280 2.731 2.720 2.742 . 0 0 "[ . 1 . 2]" 1
1591 1 97 ALA H 1 97 ALA MB . . 2.900 2.723 2.679 2.772 . 0 0 "[ . 1 . 2]" 1
1592 1 97 ALA MB 1 99 ALA H . . 4.880 4.916 4.895 4.947 0.067 9 0 "[ . 1 . 2]" 1
1593 1 96 VAL HA 1 97 ALA MB . . 3.810 3.777 3.681 3.811 0.001 9 0 "[ . 1 . 2]" 1
1594 1 95 ILE H 1 95 ILE MG . . 3.910 2.829 2.758 2.994 . 0 0 "[ . 1 . 2]" 1
1595 1 95 ILE MG 1 97 ALA H . . 4.280 4.303 4.243 4.351 0.071 7 0 "[ . 1 . 2]" 1
1596 1 95 ILE MG 1 96 VAL H . . 3.600 3.539 3.427 3.593 . 0 0 "[ . 1 . 2]" 1
1597 1 66 VAL H 1 95 ILE MG . . 3.850 3.619 3.325 3.842 . 0 0 "[ . 1 . 2]" 1
1598 1 95 ILE HA 1 95 ILE MG . . 3.350 2.279 2.161 2.331 . 0 0 "[ . 1 . 2]" 1
1599 1 94 SER HA 1 95 ILE MG . . 4.510 4.082 3.941 4.213 . 0 0 "[ . 1 . 2]" 1
1600 1 63 ASP HA 1 95 ILE MG . . 4.460 3.664 3.381 3.788 . 0 0 "[ . 1 . 2]" 1
1601 1 65 ILE HA 1 95 ILE MG . . 3.350 2.313 1.965 2.556 . 0 0 "[ . 1 . 2]" 1
1602 1 63 ASP HB2 1 95 ILE MG . . 4.060 3.171 3.013 3.393 . 0 0 "[ . 1 . 2]" 1
1603 1 63 ASP HB3 1 95 ILE MG . . 3.640 2.046 1.926 2.238 . 0 0 "[ . 1 . 2]" 1
1604 1 19 VAL H 1 93 ILE MG . . 4.510 4.305 4.063 4.520 0.010 15 0 "[ . 1 . 2]" 1
1605 1 93 ILE MG 1 94 SER H . . 3.450 2.289 2.084 2.482 . 0 0 "[ . 1 . 2]" 1
1606 1 66 VAL H 1 93 ILE MG . . 4.540 4.058 3.962 4.154 . 0 0 "[ . 1 . 2]" 1
1607 1 67 GLU H 1 93 ILE MG . . 4.670 3.690 3.598 3.790 . 0 0 "[ . 1 . 2]" 1
1608 1 93 ILE MG 1 95 ILE HA . . 4.590 4.072 4.018 4.165 . 0 0 "[ . 1 . 2]" 1
1609 1 93 ILE MG 1 94 SER HA . . 4.470 3.807 3.690 3.882 . 0 0 "[ . 1 . 2]" 1
1610 1 65 ILE HA 1 93 ILE MG . . 4.170 3.063 2.945 3.146 . 0 0 "[ . 1 . 2]" 1
1611 1 19 VAL HB 1 93 ILE MG . . 4.640 4.610 4.434 4.768 0.128 15 0 "[ . 1 . 2]" 1
1612 1 93 ILE MG 1 95 ILE HG12 . . 3.720 3.540 3.096 3.709 . 0 0 "[ . 1 . 2]" 1
1613 1 65 ILE MG 1 93 ILE MG . . 3.080 1.907 1.798 2.053 . 0 0 "[ . 1 . 2]" 1
1614 1 51 GLY H 1 55 ALA MB . . 4.080 2.269 1.795 3.641 . 0 0 "[ . 1 . 2]" 1
1615 1 55 ALA MB 1 56 GLU H . . 3.270 2.784 2.500 3.220 . 0 0 "[ . 1 . 2]" 1
1616 1 52 SER H 1 55 ALA MB . . 3.230 1.960 1.741 2.417 . 0 0 "[ . 1 . 2]" 1
1617 1 55 ALA H 1 55 ALA MB . . 2.980 2.091 1.937 2.180 . 0 0 "[ . 1 . 2]" 1
1618 1 52 SER HG 1 55 ALA MB . . 4.110 2.528 1.980 3.513 . 0 0 "[ . 1 . 2]" 1
1619 1 52 SER HA 1 55 ALA MB . . 4.420 4.186 4.002 4.400 . 0 0 "[ . 1 . 2]" 1
1620 1 50 PRO HA 1 55 ALA MB . . 3.620 2.889 2.110 3.582 . 0 0 "[ . 1 . 2]" 1
1621 1 52 SER HB3 1 55 ALA MB . . 4.350 3.630 2.909 4.061 . 0 0 "[ . 1 . 2]" 1
1622 1 51 GLY HA3 1 55 ALA MB . . 4.360 3.936 3.647 4.492 0.132 8 0 "[ . 1 . 2]" 1
1623 1 54 SER HB2 1 55 ALA MB . . 4.620 4.105 3.787 4.412 . 0 0 "[ . 1 . 2]" 1
1624 1 48 VAL QG 1 55 ALA MB . . 2.990 2.332 2.032 2.689 . 0 0 "[ . 1 . 2]" 1
1625 1 93 ILE H 1 93 ILE MG . . 4.240 3.738 3.719 3.747 . 0 0 "[ . 1 . 2]" 1
1626 1 36 GLY HA2 1 37 PRO HD2 . . 3.820 2.875 2.756 3.044 . 0 0 "[ . 1 . 2]" 1
1627 1 36 GLY HA3 1 37 PRO HD2 . . 3.650 2.648 2.498 2.761 . 0 0 "[ . 1 . 2]" 1
1628 1 37 PRO HD2 1 40 LYS HB3 . . 4.110 2.043 1.984 2.196 . 0 0 "[ . 1 . 2]" 1
1629 1 36 GLY HA2 1 37 PRO HD3 . . 3.830 2.104 2.025 2.230 . 0 0 "[ . 1 . 2]" 1
1630 1 36 GLY HA3 1 37 PRO HD3 . . 3.580 2.998 2.829 3.114 . 0 0 "[ . 1 . 2]" 1
1631 1 37 PRO HD3 1 40 LYS HB3 . . 4.440 3.448 3.348 3.593 . 0 0 "[ . 1 . 2]" 1
1632 1 98 ALA H 1 98 ALA MB . . 3.470 2.773 2.671 2.849 . 0 0 "[ . 1 . 2]" 1
1633 1 98 ALA MB 1 99 ALA H . . 4.150 3.792 3.789 3.793 . 0 0 "[ . 1 . 2]" 1
1634 1 38 ILE H 1 38 ILE MG . . 2.920 1.935 1.882 1.961 . 0 0 "[ . 1 . 2]" 1
1635 1 38 ILE MG 1 39 GLN HA . . 4.010 3.717 3.643 3.764 . 0 0 "[ . 1 . 2]" 1
1636 1 38 ILE HA 1 38 ILE MG . . 3.210 3.194 3.190 3.200 . 0 0 "[ . 1 . 2]" 1
1637 1 61 ILE MG 1 62 GLY H . . 3.490 2.397 2.137 2.671 . 0 0 "[ . 1 . 2]" 1
1638 1 61 ILE H 1 61 ILE MG . . 3.810 3.689 3.646 3.706 . 0 0 "[ . 1 . 2]" 1
1639 1 61 ILE MG 1 104 PHE QD . . 3.570 2.478 2.187 2.740 . 0 0 "[ . 1 . 2]" 1
1640 1 61 ILE MG 1 62 GLY HA3 . . 4.460 3.626 3.509 3.708 . 0 0 "[ . 1 . 2]" 1
1641 1 47 HIS HA 1 61 ILE MG . . 4.200 4.212 4.148 4.244 0.044 14 0 "[ . 1 . 2]" 1
1642 1 61 ILE MG 1 101 ARG HA . . 4.400 3.634 3.234 3.932 . 0 0 "[ . 1 . 2]" 1
1643 1 46 SER HA 1 61 ILE MG . . 3.510 2.851 2.471 3.264 . 0 0 "[ . 1 . 2]" 1
1644 1 61 ILE MG 1 104 PHE HB2 . . 3.620 2.229 1.912 2.649 . 0 0 "[ . 1 . 2]" 1
1645 1 61 ILE HA 1 61 ILE MG . . 3.260 2.468 2.414 2.537 . 0 0 "[ . 1 . 2]" 1
1646 1 61 ILE MG 1 104 PHE HB3 . . 3.600 2.661 2.162 3.121 . 0 0 "[ . 1 . 2]" 1
1647 1 61 ILE MD 1 61 ILE MG . . 2.880 2.276 2.115 2.377 . 0 0 "[ . 1 . 2]" 1
1648 1 38 ILE QG 1 38 ILE MG . . 3.120 2.054 1.945 2.225 . 0 0 "[ . 1 . 2]" 1
1649 1 38 ILE HB 1 38 ILE MD . . 3.330 2.088 1.947 2.235 . 0 0 "[ . 1 . 2]" 1
1650 1 27 ARG HA 1 27 ARG HD2 . . 4.460 4.242 3.726 4.507 0.047 5 0 "[ . 1 . 2]" 1
1651 1 73 PHE H 1 73 PHE QE . . 5.050 5.094 5.055 5.179 0.129 10 0 "[ . 1 . 2]" 1
1652 1 20 PHE HZ 1 90 SER HB2 . . 5.100 3.664 2.735 4.416 . 0 0 "[ . 1 . 2]" 1
1653 1 102 GLU HG2 1 103 LEU HG . . 5.080 3.189 2.653 5.069 . 0 0 "[ . 1 . 2]" 1
1654 1 47 HIS HE1 1 49 LYS HG3 . . 4.290 3.221 2.299 4.048 . 0 0 "[ . 1 . 2]" 1
1655 1 47 HIS HE1 1 49 LYS QB . . 4.590 4.498 4.219 4.605 0.015 10 0 "[ . 1 . 2]" 1
1656 1 47 HIS HE1 1 50 PRO HD2 . . 4.970 4.728 4.430 4.945 . 0 0 "[ . 1 . 2]" 1
1657 1 47 HIS HE1 1 50 PRO HD3 . . 4.620 3.478 3.104 3.901 . 0 0 "[ . 1 . 2]" 1
1658 1 47 HIS HE1 1 49 LYS H . . 5.060 4.409 4.096 4.671 . 0 0 "[ . 1 . 2]" 1
1659 1 47 HIS HE1 1 49 LYS HA . . 3.840 2.727 2.389 2.991 . 0 0 "[ . 1 . 2]" 1
1660 1 33 ILE MD 1 78 HIS HE1 . . 5.070 4.674 4.453 4.929 . 0 0 "[ . 1 . 2]" 1
1661 1 78 HIS HE1 1 82 VAL MG2 . . 3.650 3.425 3.144 3.666 0.016 17 0 "[ . 1 . 2]" 1
1662 1 33 ILE HG13 1 78 HIS HE1 . . 4.960 4.797 4.418 4.963 0.003 19 0 "[ . 1 . 2]" 1
1663 1 21 ILE MG 1 53 LEU QD . . 3.340 2.020 1.742 2.662 . 0 0 "[ . 1 . 2]" 1
1664 1 85 LEU HB3 1 85 LEU MD1 . . 3.270 2.474 2.385 2.606 . 0 0 "[ . 1 . 2]" 1
1665 1 47 HIS HD2 1 61 ILE MD . . 4.630 3.501 3.149 3.817 . 0 0 "[ . 1 . 2]" 1
1666 1 59 LEU HB3 1 59 LEU MD1 . . 3.310 2.389 2.313 2.461 . 0 0 "[ . 1 . 2]" 1
1667 1 59 LEU HB2 1 59 LEU MD1 . . 3.310 2.321 2.200 2.417 . 0 0 "[ . 1 . 2]" 1
1668 1 68 VAL MG2 1 85 LEU MD2 . . 3.130 2.610 2.347 2.956 . 0 0 "[ . 1 . 2]" 1
1669 1 65 ILE MG 1 85 LEU MD2 . . 4.170 3.558 3.317 3.834 . 0 0 "[ . 1 . 2]" 1
1670 1 85 LEU HB3 1 85 LEU MD2 . . 3.240 2.340 2.256 2.392 . 0 0 "[ . 1 . 2]" 1
1671 1 68 VAL HB 1 85 LEU MD2 . . 4.120 3.920 3.671 4.116 . 0 0 "[ . 1 . 2]" 1
1672 1 83 ASN QD 1 84 VAL QG . . 4.760 2.913 2.166 4.631 . 0 0 "[ . 1 . 2]" 1
1673 1 18 LYS QD 1 92 THR MG . . 3.220 2.016 1.788 2.421 . 0 0 "[ . 1 . 2]" 1
1674 1 19 VAL MG1 1 59 LEU HG . . 3.450 2.663 2.321 2.894 . 0 0 "[ . 1 . 2]" 1
1675 1 96 VAL HB 1 99 ALA MB . . 3.000 1.799 1.766 1.838 . 0 0 "[ . 1 . 2]" 1
1676 1 43 ILE HB 1 81 ALA MB . . 4.280 3.669 3.587 3.816 . 0 0 "[ . 1 . 2]" 1
1677 1 19 VAL MG2 1 93 ILE HB . . 3.040 1.986 1.829 2.184 . 0 0 "[ . 1 . 2]" 1
1678 1 20 PHE HA 1 21 ILE HB . . 4.960 4.475 4.191 4.583 . 0 0 "[ . 1 . 2]" 1
1679 1 21 ILE MG 1 53 LEU HB2 . . 4.030 3.865 2.899 4.166 0.136 16 0 "[ . 1 . 2]" 1
1680 1 21 ILE HG12 1 21 ILE MG . . 3.580 3.125 2.188 3.240 . 0 0 "[ . 1 . 2]" 1
1681 1 21 ILE HB 1 21 ILE MD . . 3.370 3.091 2.120 3.214 . 0 0 "[ . 1 . 2]" 1
1682 1 21 ILE MD 1 57 VAL MG1 . . 3.540 2.072 1.765 2.614 . 0 0 "[ . 1 . 2]" 1
1683 1 21 ILE MD 1 29 LEU MD1 . . 2.900 2.791 2.332 2.915 0.015 17 0 "[ . 1 . 2]" 1
1684 1 23 LEU QD 1 28 GLY HA3 . . 4.830 3.079 2.583 3.568 . 0 0 "[ . 1 . 2]" 1
1685 1 31 CYS HB2 1 54 SER HB2 . . 5.120 4.173 4.041 4.403 . 0 0 "[ . 1 . 2]" 1
1686 1 31 CYS HB2 1 54 SER HB3 . . 5.090 4.298 3.916 4.538 . 0 0 "[ . 1 . 2]" 1
1687 1 33 ILE HG12 1 33 ILE MG . . 3.170 2.168 2.075 2.264 . 0 0 "[ . 1 . 2]" 1
1688 1 33 ILE HG13 1 33 ILE MG . . 3.540 3.185 3.150 3.209 . 0 0 "[ . 1 . 2]" 1
1689 1 37 PRO HA 1 38 ILE MG . . 4.820 4.127 4.067 4.176 . 0 0 "[ . 1 . 2]" 1
1690 1 37 PRO HA 1 38 ILE H . . 3.060 2.678 2.615 2.761 . 0 0 "[ . 1 . 2]" 1
1691 1 37 PRO HD3 1 40 LYS H . . 5.220 4.377 4.355 4.404 . 0 0 "[ . 1 . 2]" 1
1692 1 38 ILE MG 1 39 GLN QB . . 5.020 3.192 3.137 3.259 . 0 0 "[ . 1 . 2]" 1
1693 1 40 LYS HD2 1 44 PHE HZ . . 5.020 4.760 3.890 5.059 0.039 10 0 "[ . 1 . 2]" 1
1694 1 38 ILE HA 1 41 PRO HD2 . . 5.280 4.951 4.879 5.077 . 0 0 "[ . 1 . 2]" 1
1695 1 40 LYS HB2 1 41 PRO HD3 . . 4.760 4.599 4.576 4.630 . 0 0 "[ . 1 . 2]" 1
1696 1 43 ILE HA 1 43 ILE MD . . 4.400 2.174 2.042 2.260 . 0 0 "[ . 1 . 2]" 1
1697 1 31 CYS HA 1 45 ILE MD . . 4.670 4.672 4.590 4.701 0.031 3 0 "[ . 1 . 2]" 1
1698 1 49 LYS H 1 50 PRO HD2 . . 5.190 4.973 4.948 5.021 . 0 0 "[ . 1 . 2]" 1
1699 1 49 LYS H 1 50 PRO HD3 . . 5.250 4.749 4.669 4.790 . 0 0 "[ . 1 . 2]" 1
1700 1 52 SER HA 1 54 SER H . . 4.900 4.277 3.995 4.544 . 0 0 "[ . 1 . 2]" 1
1701 1 68 VAL HB 1 84 VAL QG . . 3.360 2.907 2.749 3.095 . 0 0 "[ . 1 . 2]" 1
1702 1 21 ILE MD 1 57 VAL MG2 . . 3.260 2.413 2.064 3.001 . 0 0 "[ . 1 . 2]" 1
1703 1 21 ILE HG12 1 57 VAL MG2 . . 3.910 3.896 3.600 4.454 0.544 15 2 "[ . 1 + -2]" 1
1704 1 57 VAL MG2 1 59 LEU HG . . 3.200 1.805 1.762 1.865 . 0 0 "[ . 1 . 2]" 1
1705 1 19 VAL HB 1 57 VAL MG2 . . 3.890 2.475 2.114 2.986 . 0 0 "[ . 1 . 2]" 1
1706 1 61 ILE MD 1 62 GLY H . . 5.270 5.196 5.122 5.297 0.027 18 0 "[ . 1 . 2]" 1
1707 1 63 ASP HA 1 98 ALA H . . 3.570 2.245 2.125 2.398 . 0 0 "[ . 1 . 2]" 1
1708 1 65 ILE HB 1 65 ILE MD . . 3.600 2.121 2.029 2.173 . 0 0 "[ . 1 . 2]" 1
1709 1 64 GLN HG3 1 66 VAL MG1 . . 3.960 3.992 3.965 4.022 0.062 20 0 "[ . 1 . 2]" 1
1710 1 64 GLN HG2 1 66 VAL MG1 . . 3.590 2.513 2.410 2.887 . 0 0 "[ . 1 . 2]" 1
1711 1 66 VAL MG2 1 95 ILE H . . 4.790 4.468 4.226 4.756 . 0 0 "[ . 1 . 2]" 1
1712 1 71 VAL H 1 71 VAL MG1 . . 3.910 3.743 3.713 3.801 . 0 0 "[ . 1 . 2]" 1
1713 1 73 PHE H 1 74 SER HA . . 5.080 4.661 4.551 4.794 . 0 0 "[ . 1 . 2]" 1
1714 1 43 ILE HG12 1 81 ALA MB . . 4.050 3.239 2.951 3.491 . 0 0 "[ . 1 . 2]" 1
1715 1 43 ILE HG13 1 81 ALA MB . . 3.520 1.991 1.831 2.192 . 0 0 "[ . 1 . 2]" 1
1716 1 82 VAL MG1 1 86 LYS QG . . 3.700 3.330 2.045 3.726 0.026 17 0 "[ . 1 . 2]" 1
1717 1 82 VAL MG1 1 86 LYS QD . . 3.450 2.926 1.904 3.483 0.033 5 0 "[ . 1 . 2]" 1
1718 1 88 SER HA 1 90 SER H . . 4.970 4.985 4.958 5.014 0.044 20 0 "[ . 1 . 2]" 1
1719 1 95 ILE HG12 1 95 ILE MG . . 3.370 2.168 2.023 2.232 . 0 0 "[ . 1 . 2]" 1
1720 1 95 ILE HB 1 95 ILE MD . . 3.180 1.964 1.898 2.065 . 0 0 "[ . 1 . 2]" 1
1721 1 40 LYS HB2 1 103 LEU MD2 . . 3.870 3.277 2.560 3.877 0.007 1 0 "[ . 1 . 2]" 1
1722 1 61 ILE MG 1 104 PHE HA . . 5.260 4.495 4.081 4.905 . 0 0 "[ . 1 . 2]" 1
1723 1 106 THR HB 1 107 ASP H . . 4.930 4.170 2.253 4.631 . 0 0 "[ . 1 . 2]" 1
1724 1 13 GLU HA 1 14 ASN H . . 3.630 2.475 2.205 3.646 0.016 20 0 "[ . 1 . 2]" 1
1725 1 14 ASN HB2 1 15 LYS H . . 5.150 3.080 2.239 4.733 . 0 0 "[ . 1 . 2]" 1
1726 1 15 LYS HA 1 97 ALA MB . . 4.250 2.939 2.581 4.296 0.046 20 0 "[ . 1 . 2]" 1
1727 1 21 ILE MD 1 57 VAL H . . 5.030 3.970 3.717 4.184 . 0 0 "[ . 1 . 2]" 1
1728 1 21 ILE MD 1 54 SER HB3 . . 5.000 3.339 2.771 3.790 . 0 0 "[ . 1 . 2]" 1
1729 1 21 ILE MD 1 54 SER HB2 . . 5.010 4.400 4.032 4.850 . 0 0 "[ . 1 . 2]" 1
1730 1 68 VAL MG1 1 91 LEU MD2 . . 3.000 2.640 2.555 2.785 . 0 0 "[ . 1 . 2]" 1
1731 1 23 LEU H 1 23 LEU QD . . 4.900 2.474 2.095 2.996 . 0 0 "[ . 1 . 2]" 1
1732 1 24 VAL QG 1 25 GLY HA3 . . 5.060 3.509 2.963 4.441 . 0 0 "[ . 1 . 2]" 1
1733 1 27 ARG H 1 27 ARG HG2 . . 5.390 4.351 2.633 5.174 . 0 0 "[ . 1 . 2]" 1
1734 1 27 ARG H 1 27 ARG HG3 . . 5.420 4.116 3.066 4.582 . 0 0 "[ . 1 . 2]" 1
1735 1 27 ARG HG2 1 53 LEU QD . . 4.750 3.472 1.692 4.426 . 0 0 "[ . 1 . 2]" 1
1736 1 27 ARG HG3 1 53 LEU QD . . 5.500 3.793 2.096 4.794 . 0 0 "[ . 1 . 2]" 1
1737 1 21 ILE MD 1 29 LEU HA . . 4.990 4.556 3.999 5.012 0.022 15 0 "[ . 1 . 2]" 1
1738 1 23 LEU QD 1 29 LEU QB . . 4.540 2.488 1.885 3.035 . 0 0 "[ . 1 . 2]" 1
1739 1 29 LEU MD2 1 31 CYS HB3 . . 5.150 4.491 4.269 4.703 . 0 0 "[ . 1 . 2]" 1
1740 1 30 GLY HA2 1 49 LYS H . . 5.380 4.520 4.269 4.704 . 0 0 "[ . 1 . 2]" 1
1741 1 30 GLY HA3 1 49 LYS H . . 5.280 3.486 3.265 3.804 . 0 0 "[ . 1 . 2]" 1
1742 1 30 GLY HA3 1 54 SER H . . 5.250 4.986 4.460 5.273 0.023 10 0 "[ . 1 . 2]" 1
1743 1 32 SER HA 1 33 ILE HG13 . . 5.270 4.607 4.427 4.700 . 0 0 "[ . 1 . 2]" 1
1744 1 32 SER HB3 1 46 SER H . . 5.450 3.346 3.008 3.721 . 0 0 "[ . 1 . 2]" 1
1745 1 32 SER HB2 1 46 SER H . . 5.250 4.221 4.058 4.431 . 0 0 "[ . 1 . 2]" 1
1746 1 33 ILE HA 1 34 SER QB . . 4.880 4.045 3.859 4.445 . 0 0 "[ . 1 . 2]" 1
1747 1 33 ILE HG12 1 78 HIS HD2 . . 5.410 4.804 4.213 5.261 . 0 0 "[ . 1 . 2]" 1
1748 1 33 ILE MG 1 45 ILE HG13 . . 4.070 3.300 2.996 3.706 . 0 0 "[ . 1 . 2]" 1
1749 1 33 ILE MD 1 81 ALA H . . 4.830 4.683 4.451 4.836 0.006 14 0 "[ . 1 . 2]" 1
1750 1 33 ILE MD 1 43 ILE HB . . 4.830 4.607 4.392 4.755 . 0 0 "[ . 1 . 2]" 1
1751 1 34 SER QB 1 44 PHE HB2 . . 5.000 3.878 3.263 4.509 . 0 0 "[ . 1 . 2]" 1
1752 1 35 SER HA 1 36 GLY HA2 . . 4.440 4.399 4.383 4.414 . 0 0 "[ . 1 . 2]" 1
1753 1 35 SER HB3 1 78 HIS HB3 . . 5.180 4.597 3.760 5.959 0.779 3 2 "[ + . 1 . -2]" 1
1754 1 36 GLY HA3 1 42 GLY H . . 5.160 3.345 3.194 3.542 . 0 0 "[ . 1 . 2]" 1
1755 1 36 GLY HA2 1 37 PRO HG2 . . 5.350 4.772 4.677 4.914 . 0 0 "[ . 1 . 2]" 1
1756 1 36 GLY HA2 1 40 LYS HB3 . . 5.500 4.631 4.443 5.043 . 0 0 "[ . 1 . 2]" 1
1757 1 36 GLY HA2 1 37 PRO HG3 . . 5.430 4.356 4.289 4.463 . 0 0 "[ . 1 . 2]" 1
1758 1 36 GLY HA3 1 37 PRO HG2 . . 5.280 4.868 4.727 4.972 . 0 0 "[ . 1 . 2]" 1
1759 1 36 GLY HA3 1 40 LYS HB3 . . 5.390 4.108 3.914 4.358 . 0 0 "[ . 1 . 2]" 1
1760 1 36 GLY HA3 1 37 PRO HG3 . . 5.190 5.073 4.915 5.185 . 0 0 "[ . 1 . 2]" 1
1761 1 37 PRO HB3 1 103 LEU MD2 . . 5.500 5.093 4.808 5.246 . 0 0 "[ . 1 . 2]" 1
1762 1 37 PRO HB2 1 103 LEU MD2 . . 5.360 5.246 4.946 5.370 0.010 3 0 "[ . 1 . 2]" 1
1763 1 38 ILE MG 1 39 GLN HE22 . . 4.940 4.726 3.910 4.945 0.005 5 0 "[ . 1 . 2]" 1
1764 1 38 ILE MG 1 40 LYS H . . 4.810 4.224 4.170 4.285 . 0 0 "[ . 1 . 2]" 1
1765 1 39 GLN HA 1 41 PRO HD2 . . 5.070 4.575 4.507 4.628 . 0 0 "[ . 1 . 2]" 1
1766 1 40 LYS HG2 1 44 PHE QE . . 5.000 2.986 2.338 3.362 . 0 0 "[ . 1 . 2]" 1
1767 1 40 LYS H 1 40 LYS HG2 . . 5.430 4.675 4.551 4.928 . 0 0 "[ . 1 . 2]" 1
1768 1 40 LYS H 1 40 LYS HG3 . . 5.470 4.547 4.390 4.740 . 0 0 "[ . 1 . 2]" 1
1769 1 40 LYS HD2 1 44 PHE QE . . 5.400 4.334 3.607 4.736 . 0 0 "[ . 1 . 2]" 1
1770 1 40 LYS HD3 1 44 PHE QE . . 5.370 3.798 2.794 4.754 . 0 0 "[ . 1 . 2]" 1
1771 1 41 PRO HA 1 44 PHE QE . . 4.950 3.501 3.188 3.726 . 0 0 "[ . 1 . 2]" 1
1772 1 41 PRO HA 1 44 PHE HZ . . 5.120 4.447 3.986 4.916 . 0 0 "[ . 1 . 2]" 1
1773 1 36 GLY HA3 1 41 PRO HA . . 4.450 2.856 2.750 2.967 . 0 0 "[ . 1 . 2]" 1
1774 1 38 ILE HA 1 41 PRO HA . . 5.200 4.497 4.471 4.526 . 0 0 "[ . 1 . 2]" 1
1775 1 39 GLN H 1 41 PRO HD2 . . 5.500 5.411 5.392 5.443 . 0 0 "[ . 1 . 2]" 1
1776 1 40 LYS HB3 1 41 PRO HD2 . . 5.320 5.089 5.055 5.118 . 0 0 "[ . 1 . 2]" 1
1777 1 40 LYS HB3 1 41 PRO HD3 . . 5.420 4.689 4.640 4.734 . 0 0 "[ . 1 . 2]" 1
1778 1 42 GLY HA3 1 44 PHE HZ . . 5.200 3.340 3.042 3.537 . 0 0 "[ . 1 . 2]" 1
1779 1 42 GLY HA3 1 43 ILE HB . . 5.410 4.942 4.872 5.044 . 0 0 "[ . 1 . 2]" 1
1780 1 41 PRO HB2 1 42 GLY HA3 . . 5.370 4.684 4.582 4.756 . 0 0 "[ . 1 . 2]" 1
1781 1 42 GLY HA3 1 43 ILE MD . . 5.500 4.956 4.716 5.101 . 0 0 "[ . 1 . 2]" 1
1782 1 41 PRO HA 1 42 GLY HA3 . . 4.710 4.286 4.276 4.302 . 0 0 "[ . 1 . 2]" 1
1783 1 42 GLY HA2 1 44 PHE QD . . 4.980 5.192 4.933 5.385 0.405 11 0 "[ . 1 . 2]" 1
1784 1 42 GLY HA2 1 64 GLN HG3 . . 5.400 4.967 4.790 5.136 . 0 0 "[ . 1 . 2]" 1
1785 1 42 GLY HA2 1 43 ILE HG12 . . 5.500 3.241 3.105 3.399 . 0 0 "[ . 1 . 2]" 1
1786 1 41 PRO HB2 1 42 GLY HA2 . . 5.420 4.140 4.105 4.178 . 0 0 "[ . 1 . 2]" 1
1787 1 42 GLY HA2 1 43 ILE HB . . 5.500 4.827 4.745 4.894 . 0 0 "[ . 1 . 2]" 1
1788 1 35 SER HA 1 43 ILE HA . . 5.090 3.264 2.827 3.562 . 0 0 "[ . 1 . 2]" 1
1789 1 43 ILE MG 1 44 PHE HA . . 4.950 3.772 3.623 4.009 . 0 0 "[ . 1 . 2]" 1
1790 1 43 ILE MD 1 79 LYS H . . 4.960 4.755 4.608 4.869 . 0 0 "[ . 1 . 2]" 1
1791 1 43 ILE MD 1 44 PHE QD . . 4.760 4.383 4.173 4.604 . 0 0 "[ . 1 . 2]" 1
1792 1 43 ILE MD 1 78 HIS HB3 . . 4.890 4.866 4.775 4.911 0.021 20 0 "[ . 1 . 2]" 1
1793 1 43 ILE MD 1 76 LEU HB3 . . 4.320 3.551 3.229 3.780 . 0 0 "[ . 1 . 2]" 1
1794 1 44 PHE HA 1 64 GLN HG3 . . 5.180 3.579 3.415 3.762 . 0 0 "[ . 1 . 2]" 1
1795 1 44 PHE HA 1 65 ILE HG13 . . 5.260 4.067 3.787 4.451 . 0 0 "[ . 1 . 2]" 1
1796 1 44 PHE HA 1 64 GLN HB3 . . 5.240 4.808 4.619 4.931 . 0 0 "[ . 1 . 2]" 1
1797 1 44 PHE HB3 1 103 LEU MD1 . . 5.500 3.330 2.740 3.847 . 0 0 "[ . 1 . 2]" 1
1798 1 44 PHE HB2 1 103 LEU MD1 . . 5.500 3.173 2.675 3.626 . 0 0 "[ . 1 . 2]" 1
1799 1 103 LEU MD1 1 104 PHE QE . . 4.500 3.409 2.847 3.876 . 0 0 "[ . 1 . 2]" 1
1800 1 42 GLY HA2 1 44 PHE HZ . . 5.050 4.966 4.679 5.206 0.155 4 0 "[ . 1 . 2]" 1
1801 1 45 ILE MD 1 62 GLY H . . 5.210 4.590 4.401 4.750 . 0 0 "[ . 1 . 2]" 1
1802 1 45 ILE MD 1 59 LEU H . . 5.190 5.133 4.987 5.213 0.023 12 0 "[ . 1 . 2]" 1
1803 1 46 SER QB 1 47 HIS H . . 5.320 3.355 2.780 3.526 . 0 0 "[ . 1 . 2]" 1
1804 1 33 ILE HA 1 46 SER QB . . 5.370 3.651 3.489 3.844 . 0 0 "[ . 1 . 2]" 1
1805 1 46 SER HA 1 47 HIS HA . . 5.230 4.560 4.547 4.579 . 0 0 "[ . 1 . 2]" 1
1806 1 47 HIS HB2 1 61 ILE MD . . 5.250 3.670 3.310 3.890 . 0 0 "[ . 1 . 2]" 1
1807 1 31 CYS H 1 48 VAL HA . . 5.190 4.469 4.249 4.779 . 0 0 "[ . 1 . 2]" 1
1808 1 48 VAL HA 1 54 SER HB2 . . 5.500 4.702 4.357 5.028 . 0 0 "[ . 1 . 2]" 1
1809 1 48 VAL HB 1 49 LYS H . . 5.290 4.259 3.969 4.457 . 0 0 "[ . 1 . 2]" 1
1810 1 48 VAL QG 1 60 GLU H . . 4.670 3.867 3.559 4.279 . 0 0 "[ . 1 . 2]" 1
1811 1 48 VAL QG 1 50 PRO HA . . 4.840 4.057 3.799 4.278 . 0 0 "[ . 1 . 2]" 1
1812 1 48 VAL QG 1 49 LYS HA . . 5.120 3.877 3.695 4.037 . 0 0 "[ . 1 . 2]" 1
1813 1 47 HIS HE1 1 49 LYS HG2 . . 5.070 3.699 2.778 4.321 . 0 0 "[ . 1 . 2]" 1
1814 1 49 LYS HG2 1 52 SER HB3 . . 5.230 4.970 4.567 5.230 . 0 0 "[ . 1 . 2]" 1
1815 1 49 LYS HG3 1 52 SER HB3 . . 5.220 4.875 4.422 5.239 0.019 6 0 "[ . 1 . 2]" 1
1816 1 49 LYS QD 1 50 PRO HD3 . . 5.130 4.607 3.610 5.117 . 0 0 "[ . 1 . 2]" 1
1817 1 49 LYS QD 1 52 SER HB2 . . 5.320 4.708 4.126 5.297 . 0 0 "[ . 1 . 2]" 1
1818 1 49 LYS H 1 49 LYS QE . . 5.350 4.695 3.223 5.304 . 0 0 "[ . 1 . 2]" 1
1819 1 47 HIS HE1 1 49 LYS QE . . 5.310 4.578 2.926 5.323 0.013 8 0 "[ . 1 . 2]" 1
1820 1 30 GLY HA3 1 52 SER HA . . 4.710 4.129 3.655 4.527 . 0 0 "[ . 1 . 2]" 1
1821 1 49 LYS H 1 52 SER HB3 . . 5.230 3.132 2.945 3.361 . 0 0 "[ . 1 . 2]" 1
1822 1 49 LYS H 1 52 SER HB2 . . 5.500 3.983 3.640 4.308 . 0 0 "[ . 1 . 2]" 1
1823 1 52 SER HB2 1 55 ALA H . . 5.430 3.935 3.400 4.489 . 0 0 "[ . 1 . 2]" 1
1824 1 52 SER HB3 1 55 ALA H . . 5.330 4.011 3.596 4.291 . 0 0 "[ . 1 . 2]" 1
1825 1 52 SER HB2 1 55 ALA MB . . 5.460 4.303 4.005 4.618 . 0 0 "[ . 1 . 2]" 1
1826 1 52 SER HB2 1 53 LEU HB2 . . 4.730 4.095 3.759 4.581 . 0 0 "[ . 1 . 2]" 1
1827 1 49 LYS QD 1 52 SER HB3 . . 4.480 4.016 3.605 4.459 . 0 0 "[ . 1 . 2]" 1
1828 1 52 SER HA 1 53 LEU HA . . 4.660 4.355 4.305 4.407 . 0 0 "[ . 1 . 2]" 1
1829 1 52 SER HB2 1 53 LEU HB3 . . 5.500 4.660 4.146 5.163 . 0 0 "[ . 1 . 2]" 1
1830 1 27 ARG HB3 1 53 LEU QD . . 4.170 2.205 1.884 2.825 . 0 0 "[ . 1 . 2]" 1
1831 1 21 ILE MD 1 53 LEU QD . . 4.400 2.613 1.969 3.901 . 0 0 "[ . 1 . 2]" 1
1832 1 23 LEU QD 1 53 LEU QD . . 3.290 2.098 1.643 2.870 . 0 0 "[ . 1 . 2]" 1
1833 1 27 ARG HD2 1 53 LEU QD . . 4.580 2.771 1.960 4.374 . 0 0 "[ . 1 . 2]" 1
1834 1 31 CYS HB3 1 54 SER HA . . 5.320 5.211 4.996 5.342 0.022 20 0 "[ . 1 . 2]" 1
1835 1 54 SER HB2 1 59 LEU H . . 5.500 3.792 3.422 4.350 . 0 0 "[ . 1 . 2]" 1
1836 1 55 ALA MB 1 56 GLU HG2 . . 4.610 4.471 4.293 4.626 0.016 8 0 "[ . 1 . 2]" 1
1837 1 56 GLU HA 1 57 VAL HA . . 5.210 4.666 4.621 4.697 . 0 0 "[ . 1 . 2]" 1
1838 1 56 GLU HA 1 57 VAL MG1 . . 5.250 4.711 4.546 4.902 . 0 0 "[ . 1 . 2]" 1
1839 1 56 GLU HA 1 57 VAL MG2 . . 5.500 5.179 4.985 5.442 . 0 0 "[ . 1 . 2]" 1
1840 1 56 GLU HG2 1 57 VAL MG1 . . 5.170 3.265 3.001 3.645 . 0 0 "[ . 1 . 2]" 1
1841 1 57 VAL HA 1 59 LEU H . . 5.470 5.081 4.740 5.368 . 0 0 "[ . 1 . 2]" 1
1842 1 57 VAL HA 1 58 GLY HA3 . . 4.860 4.530 4.486 4.541 . 0 0 "[ . 1 . 2]" 1
1843 1 56 GLU HG3 1 57 VAL HA . . 4.990 3.635 3.461 3.869 . 0 0 "[ . 1 . 2]" 1
1844 1 20 PHE H 1 57 VAL HB . . 5.500 4.194 3.041 5.046 . 0 0 "[ . 1 . 2]" 1
1845 1 54 SER H 1 57 VAL MG2 . . 5.070 4.424 4.031 5.078 0.008 20 0 "[ . 1 . 2]" 1
1846 1 57 VAL MG2 1 59 LEU MD1 . . 3.270 2.216 1.978 2.385 . 0 0 "[ . 1 . 2]" 1
1847 1 57 VAL H 1 58 GLY HA2 . . 4.870 4.581 4.433 4.669 . 0 0 "[ . 1 . 2]" 1
1848 1 57 VAL H 1 58 GLY HA3 . . 5.000 4.948 4.829 5.018 0.018 18 0 "[ . 1 . 2]" 1
1849 1 59 LEU HA 1 60 GLU HG3 . . 5.440 3.579 3.337 3.998 . 0 0 "[ . 1 . 2]" 1
1850 1 48 VAL QG 1 59 LEU HA . . 5.350 4.352 4.068 4.633 . 0 0 "[ . 1 . 2]" 1
1851 1 57 VAL MG2 1 59 LEU HA . . 5.160 3.512 3.365 3.673 . 0 0 "[ . 1 . 2]" 1
1852 1 54 SER HB2 1 59 LEU HB3 . . 5.120 2.965 2.466 3.587 . 0 0 "[ . 1 . 2]" 1
1853 1 54 SER H 1 59 LEU MD1 . . 4.920 4.533 4.378 4.844 . 0 0 "[ . 1 . 2]" 1
1854 1 54 SER HB3 1 59 LEU MD2 . . 5.290 4.221 3.829 4.671 . 0 0 "[ . 1 . 2]" 1
1855 1 59 LEU HA 1 60 GLU HB3 . . 5.500 5.589 5.000 5.634 0.134 19 0 "[ . 1 . 2]" 1
1856 1 60 GLU HB2 1 61 ILE HB . . 5.240 5.097 4.001 5.249 0.009 5 0 "[ . 1 . 2]" 1
1857 1 48 VAL QG 1 60 GLU HB2 . . 5.500 4.756 4.406 5.123 . 0 0 "[ . 1 . 2]" 1
1858 1 48 VAL QG 1 60 GLU HB3 . . 5.290 4.245 3.791 4.741 . 0 0 "[ . 1 . 2]" 1
1859 1 61 ILE HA 1 63 ASP H . . 4.200 3.582 3.368 3.737 . 0 0 "[ . 1 . 2]" 1
1860 1 60 GLU HA 1 61 ILE HA . . 5.150 4.297 4.288 4.305 . 0 0 "[ . 1 . 2]" 1
1861 1 62 GLY HA3 1 100 GLY H . . 5.050 4.324 3.849 4.871 . 0 0 "[ . 1 . 2]" 1
1862 1 62 GLY HA2 1 100 GLY H . . 5.010 3.783 3.359 4.230 . 0 0 "[ . 1 . 2]" 1
1863 1 62 GLY HA3 1 101 ARG QB . . 5.010 3.073 1.953 3.468 . 0 0 "[ . 1 . 2]" 1
1864 1 62 GLY HA2 1 101 ARG QB . . 5.350 3.973 3.104 4.266 . 0 0 "[ . 1 . 2]" 1
1865 1 62 GLY HA2 1 101 ARG QG . . 5.500 3.304 2.858 4.749 . 0 0 "[ . 1 . 2]" 1
1866 1 63 ASP HA 1 64 GLN H . . 3.340 2.301 2.291 2.309 . 0 0 "[ . 1 . 2]" 1
1867 1 63 ASP HA 1 98 ALA HA . . 3.730 2.811 2.640 3.192 . 0 0 "[ . 1 . 2]" 1
1868 1 45 ILE HG12 1 63 ASP HB2 . . 4.730 4.646 4.487 4.741 0.011 19 0 "[ . 1 . 2]" 1
1869 1 63 ASP HB3 1 95 ILE HB . . 4.430 2.426 2.213 2.717 . 0 0 "[ . 1 . 2]" 1
1870 1 60 GLU H 1 63 ASP HB3 . . 5.070 4.257 4.003 4.470 . 0 0 "[ . 1 . 2]" 1
1871 1 63 ASP HB3 1 98 ALA H . . 4.970 3.874 3.775 4.027 . 0 0 "[ . 1 . 2]" 1
1872 1 44 PHE HB3 1 64 GLN HA . . 5.240 3.609 3.465 3.878 . 0 0 "[ . 1 . 2]" 1
1873 1 64 GLN HB2 1 96 VAL H . . 5.220 5.301 5.249 5.367 0.147 4 0 "[ . 1 . 2]" 1
1874 1 64 GLN HB3 1 96 VAL H . . 5.500 3.891 3.808 3.958 . 0 0 "[ . 1 . 2]" 1
1875 1 44 PHE QD 1 64 GLN HB2 . . 5.140 2.086 1.986 2.271 . 0 0 "[ . 1 . 2]" 1
1876 1 65 ILE MG 1 68 VAL H . . 5.070 4.324 4.257 4.371 . 0 0 "[ . 1 . 2]" 1
1877 1 43 ILE HB 1 65 ILE MG . . 4.860 3.477 3.289 3.649 . 0 0 "[ . 1 . 2]" 1
1878 1 66 VAL HA 1 73 PHE H . . 4.480 4.156 3.948 4.367 . 0 0 "[ . 1 . 2]" 1
1879 1 66 VAL HA 1 73 PHE QD . . 5.500 5.145 4.809 5.354 . 0 0 "[ . 1 . 2]" 1
1880 1 65 ILE HA 1 66 VAL HA . . 4.480 4.380 4.373 4.388 . 0 0 "[ . 1 . 2]" 1
1881 1 64 GLN HA 1 66 VAL MG1 . . 4.920 4.724 4.622 4.799 . 0 0 "[ . 1 . 2]" 1
1882 1 66 VAL MG2 1 94 SER HA . . 4.790 4.406 4.246 4.533 . 0 0 "[ . 1 . 2]" 1
1883 1 67 GLU HA 1 71 VAL HB . . 5.290 4.295 4.072 4.585 . 0 0 "[ . 1 . 2]" 1
1884 1 65 ILE MG 1 67 GLU HA . . 5.050 3.821 3.716 3.930 . 0 0 "[ . 1 . 2]" 1
1885 1 67 GLU HA 1 94 SER HB2 . . 5.500 4.623 4.577 4.651 . 0 0 "[ . 1 . 2]" 1
1886 1 67 GLU HB3 1 73 PHE H . . 4.960 5.005 4.979 5.052 0.092 10 0 "[ . 1 . 2]" 1
1887 1 66 VAL MG1 1 67 GLU HB2 . . 5.410 5.459 5.407 5.476 0.066 20 0 "[ . 1 . 2]" 1
1888 1 66 VAL MG1 1 67 GLU HB3 . . 5.500 5.363 5.257 5.414 . 0 0 "[ . 1 . 2]" 1
1889 1 67 GLU HG3 1 94 SER HB3 . . 5.500 5.512 5.472 5.533 0.033 17 0 "[ . 1 . 2]" 1
1890 1 67 GLU HG2 1 71 VAL MG2 . . 5.230 5.084 4.839 5.257 0.027 10 0 "[ . 1 . 2]" 1
1891 1 67 GLU HG3 1 71 VAL MG2 . . 5.400 4.707 4.541 4.879 . 0 0 "[ . 1 . 2]" 1
1892 1 66 VAL MG2 1 67 GLU HG3 . . 5.020 5.026 4.943 5.052 0.032 7 0 "[ . 1 . 2]" 1
1893 1 68 VAL HA 1 71 VAL H . . 5.300 3.996 3.884 4.185 . 0 0 "[ . 1 . 2]" 1
1894 1 67 GLU HA 1 68 VAL HA . . 5.190 4.493 4.464 4.506 . 0 0 "[ . 1 . 2]" 1
1895 1 68 VAL HA 1 71 VAL MG2 . . 5.040 4.845 4.721 5.041 0.001 4 0 "[ . 1 . 2]" 1
1896 1 68 VAL HA 1 93 ILE MG . . 4.260 3.694 3.616 3.816 . 0 0 "[ . 1 . 2]" 1
1897 1 68 VAL HB 1 71 VAL H . . 5.260 3.794 3.639 3.975 . 0 0 "[ . 1 . 2]" 1
1898 1 67 GLU HA 1 68 VAL HB . . 5.500 4.391 4.336 4.436 . 0 0 "[ . 1 . 2]" 1
1899 1 68 VAL HB 1 84 VAL HB . . 5.450 4.566 4.226 4.870 . 0 0 "[ . 1 . 2]" 1
1900 1 68 VAL MG2 1 73 PHE QD . . 4.350 2.708 2.513 2.853 . 0 0 "[ . 1 . 2]" 1
1901 1 68 VAL MG1 1 92 THR HB . . 5.350 5.020 4.897 5.157 . 0 0 "[ . 1 . 2]" 1
1902 1 68 VAL MG1 1 84 VAL HB . . 5.140 4.066 3.750 4.302 . 0 0 "[ . 1 . 2]" 1
1903 1 69 ASN HA 1 92 THR H . . 4.420 2.165 2.071 2.351 . 0 0 "[ . 1 . 2]" 1
1904 1 70 GLY HA3 1 71 VAL MG2 . . 5.190 3.970 3.859 4.038 . 0 0 "[ . 1 . 2]" 1
1905 1 67 GLU HG2 1 70 GLY HA2 . . 5.410 3.201 3.140 3.332 . 0 0 "[ . 1 . 2]" 1
1906 1 67 GLU HG2 1 70 GLY HA3 . . 5.200 4.618 4.537 4.727 . 0 0 "[ . 1 . 2]" 1
1907 1 71 VAL HA 1 72 ASP HA . . 4.830 4.280 4.271 4.288 . 0 0 "[ . 1 . 2]" 1
1908 1 71 VAL HB 1 72 ASP H . . 5.030 3.898 3.760 4.222 . 0 0 "[ . 1 . 2]" 1
1909 1 71 VAL HB 1 73 PHE H . . 5.360 4.518 4.386 4.685 . 0 0 "[ . 1 . 2]" 1
1910 1 71 VAL MG2 1 72 ASP H . . 3.980 3.947 3.855 4.087 0.107 10 0 "[ . 1 . 2]" 1
1911 1 71 VAL MG1 1 73 PHE QE . . 3.700 2.024 1.946 2.250 . 0 0 "[ . 1 . 2]" 1
1912 1 67 GLU HA 1 73 PHE HB3 . . 5.400 4.082 3.906 4.178 . 0 0 "[ . 1 . 2]" 1
1913 1 43 ILE HB 1 73 PHE HB2 . . 5.190 5.204 5.130 5.234 0.044 11 0 "[ . 1 . 2]" 1
1914 1 43 ILE MG 1 73 PHE HB3 . . 5.310 4.694 4.534 4.855 . 0 0 "[ . 1 . 2]" 1
1915 1 43 ILE MD 1 73 PHE HB3 . . 5.370 5.255 5.143 5.365 . 0 0 "[ . 1 . 2]" 1
1916 1 73 PHE H 1 74 SER QB . . 5.500 4.242 3.983 4.887 . 0 0 "[ . 1 . 2]" 1
1917 1 74 SER QB 1 75 ASN HD21 . . 5.500 3.156 1.964 4.341 . 0 0 "[ . 1 . 2]" 1
1918 1 74 SER QB 1 75 ASN HD22 . . 5.430 3.600 2.627 4.754 . 0 0 "[ . 1 . 2]" 1
1919 1 74 SER QB 1 75 ASN HB2 . . 5.500 4.282 3.453 5.328 . 0 0 "[ . 1 . 2]" 1
1920 1 74 SER QB 1 75 ASN HB3 . . 5.500 4.670 3.582 5.331 . 0 0 "[ . 1 . 2]" 1
1921 1 75 ASN HA 1 76 LEU HA . . 5.240 4.613 4.553 4.709 . 0 0 "[ . 1 . 2]" 1
1922 1 76 LEU HA 1 80 GLU HB2 . . 5.020 3.520 3.412 3.611 . 0 0 "[ . 1 . 2]" 1
1923 1 76 LEU HA 1 80 GLU HB3 . . 5.120 4.319 4.176 4.549 . 0 0 "[ . 1 . 2]" 1
1924 1 76 LEU HB2 1 81 ALA H . . 5.220 4.826 4.680 4.971 . 0 0 "[ . 1 . 2]" 1
1925 1 76 LEU MD2 1 80 GLU H . . 4.840 4.018 3.888 4.037 . 0 0 "[ . 1 . 2]" 1
1926 1 76 LEU MD1 1 80 GLU H . . 5.010 4.934 4.798 5.056 0.046 17 0 "[ . 1 . 2]" 1
1927 1 77 ASP HA 1 80 GLU H . . 5.420 4.339 4.259 4.384 . 0 0 "[ . 1 . 2]" 1
1928 1 77 ASP HA 1 78 HIS HB2 . . 5.090 4.587 4.522 4.681 . 0 0 "[ . 1 . 2]" 1
1929 1 76 LEU HA 1 77 ASP HB3 . . 4.800 4.747 4.677 4.881 0.081 1 0 "[ . 1 . 2]" 1
1930 1 78 HIS HA 1 80 GLU H . . 5.150 4.540 4.327 4.613 . 0 0 "[ . 1 . 2]" 1
1931 1 78 HIS HA 1 82 VAL MG2 . . 4.800 3.126 2.907 3.434 . 0 0 "[ . 1 . 2]" 1
1932 1 77 ASP HA 1 78 HIS HB3 . . 5.500 5.048 4.945 5.140 . 0 0 "[ . 1 . 2]" 1
1933 1 78 HIS HB2 1 81 ALA MB . . 5.380 4.974 4.930 5.008 . 0 0 "[ . 1 . 2]" 1
1934 1 78 HIS HB3 1 81 ALA MB . . 5.500 5.518 5.503 5.537 0.037 4 0 "[ . 1 . 2]" 1
1935 1 79 LYS HA 1 81 ALA H . . 4.550 4.473 4.376 4.576 0.026 13 0 "[ . 1 . 2]" 1
1936 1 79 LYS HA 1 80 GLU HA . . 5.090 4.654 4.617 4.668 . 0 0 "[ . 1 . 2]" 1
1937 1 79 LYS HA 1 82 VAL HA . . 5.500 5.503 5.439 5.541 0.041 13 0 "[ . 1 . 2]" 1
1938 1 79 LYS HB2 1 80 GLU HA . . 4.930 4.568 4.362 5.584 0.654 11 2 "[ . 1+ .- 2]" 1
1939 1 79 LYS QE 1 79 LYS HG3 . . 3.720 2.393 1.983 3.321 . 0 0 "[ . 1 . 2]" 1
1940 1 76 LEU MD1 1 80 GLU HA . . 5.430 4.502 4.376 4.722 . 0 0 "[ . 1 . 2]" 1
1941 1 76 LEU MD2 1 80 GLU HA . . 5.230 3.868 3.679 3.899 . 0 0 "[ . 1 . 2]" 1
1942 1 77 ASP HB2 1 80 GLU HB2 . . 5.210 3.599 3.459 3.674 . 0 0 "[ . 1 . 2]" 1
1943 1 77 ASP HB2 1 80 GLU HB3 . . 5.110 5.125 5.030 5.151 0.041 20 0 "[ . 1 . 2]" 1
1944 1 77 ASP HB3 1 80 GLU HB3 . . 5.100 4.177 3.991 4.420 . 0 0 "[ . 1 . 2]" 1
1945 1 80 GLU HB2 1 81 ALA MB . . 5.170 3.973 3.928 3.997 . 0 0 "[ . 1 . 2]" 1
1946 1 81 ALA HA 1 83 ASN H . . 5.120 4.651 4.418 5.045 . 0 0 "[ . 1 . 2]" 1
1947 1 81 ALA HA 1 85 LEU HG . . 5.050 4.021 3.814 4.444 . 0 0 "[ . 1 . 2]" 1
1948 1 76 LEU HG 1 81 ALA HA . . 5.320 4.858 4.733 5.004 . 0 0 "[ . 1 . 2]" 1
1949 1 43 ILE MD 1 81 ALA MB . . 2.830 1.940 1.884 2.033 . 0 0 "[ . 1 . 2]" 1
1950 1 82 VAL HA 1 84 VAL H . . 5.190 4.393 4.204 4.562 . 0 0 "[ . 1 . 2]" 1
1951 1 82 VAL HA 1 85 LEU HG . . 4.170 3.882 3.315 4.084 . 0 0 "[ . 1 . 2]" 1
1952 1 82 VAL H 1 83 ASN HA . . 5.440 4.963 4.797 5.189 . 0 0 "[ . 1 . 2]" 1
1953 1 83 ASN HA 1 86 LYS HB3 . . 3.830 3.900 3.672 4.407 0.577 13 3 "[ . 1 + * - 2]" 1
1954 1 82 VAL MG2 1 83 ASN HA . . 5.500 5.405 5.366 5.435 . 0 0 "[ . 1 . 2]" 1
1955 1 82 VAL H 1 83 ASN HB2 . . 5.370 4.628 3.962 4.890 . 0 0 "[ . 1 . 2]" 1
1956 1 82 VAL H 1 83 ASN HB3 . . 5.250 4.669 4.440 5.410 0.160 13 0 "[ . 1 . 2]" 1
1957 1 82 VAL MG1 1 83 ASN HB3 . . 5.290 5.116 4.875 5.318 0.028 13 0 "[ . 1 . 2]" 1
1958 1 82 VAL MG1 1 83 ASN HB2 . . 5.500 4.351 4.015 4.614 . 0 0 "[ . 1 . 2]" 1
1959 1 83 ASN H 1 84 VAL HA . . 5.370 5.275 5.188 5.410 0.040 14 0 "[ . 1 . 2]" 1
1960 1 73 PHE HZ 1 84 VAL HA . . 5.070 4.695 4.499 5.006 . 0 0 "[ . 1 . 2]" 1
1961 1 83 ASN HB3 1 84 VAL HA . . 4.850 4.126 3.824 4.254 . 0 0 "[ . 1 . 2]" 1
1962 1 68 VAL MG2 1 84 VAL QG . . 4.050 3.867 3.678 3.985 . 0 0 "[ . 1 . 2]" 1
1963 1 84 VAL H 1 85 LEU HA . . 5.500 5.088 5.028 5.214 . 0 0 "[ . 1 . 2]" 1
1964 1 68 VAL MG2 1 85 LEU HA . . 5.090 4.965 4.766 5.141 0.051 13 0 "[ . 1 . 2]" 1
1965 1 73 PHE QE 1 85 LEU MD1 . . 4.000 2.319 1.963 2.896 . 0 0 "[ . 1 . 2]" 1
1966 1 65 ILE MG 1 85 LEU MD1 . . 4.760 3.585 3.281 4.099 . 0 0 "[ . 1 . 2]" 1
1967 1 85 LEU MD2 1 86 LYS H . . 5.020 4.818 4.725 4.903 . 0 0 "[ . 1 . 2]" 1
1968 1 82 VAL HA 1 85 LEU MD2 . . 4.870 4.717 4.470 4.859 . 0 0 "[ . 1 . 2]" 1
1969 1 84 VAL HB 1 85 LEU MD2 . . 4.850 4.772 4.537 4.877 0.027 1 0 "[ . 1 . 2]" 1
1970 1 85 LEU HB3 1 86 LYS HA . . 4.910 4.342 4.239 4.497 . 0 0 "[ . 1 . 2]" 1
1971 1 82 VAL MG1 1 86 LYS HB2 . . 4.710 4.069 3.864 4.429 . 0 0 "[ . 1 . 2]" 1
1972 1 86 LYS H 1 86 LYS QE . . 5.090 3.672 3.019 4.456 . 0 0 "[ . 1 . 2]" 1
1973 1 83 ASN H 1 86 LYS QE . . 5.350 3.916 3.291 5.237 . 0 0 "[ . 1 . 2]" 1
1974 1 84 VAL HA 1 87 SER HA . . 5.400 4.458 4.284 4.836 . 0 0 "[ . 1 . 2]" 1
1975 1 86 LYS QG 1 87 SER HA . . 5.390 3.679 3.181 5.451 0.061 14 0 "[ . 1 . 2]" 1
1976 1 84 VAL QG 1 87 SER HB2 . . 5.410 3.275 3.065 3.699 . 0 0 "[ . 1 . 2]" 1
1977 1 84 VAL QG 1 87 SER HB3 . . 5.230 3.648 3.174 4.205 . 0 0 "[ . 1 . 2]" 1
1978 1 87 SER HA 1 88 SER QB . . 5.340 4.871 4.733 5.061 . 0 0 "[ . 1 . 2]" 1
1979 1 23 LEU H 1 89 ARG HA . . 5.300 3.060 2.550 3.657 . 0 0 "[ . 1 . 2]" 1
1980 1 23 LEU H 1 89 ARG HB3 . . 5.500 2.338 1.942 2.721 . 0 0 "[ . 1 . 2]" 1
1981 1 20 PHE QE 1 90 SER HB3 . . 3.840 2.514 1.996 3.614 . 0 0 "[ . 1 . 2]" 1
1982 1 24 VAL QG 1 90 SER HB2 . . 5.410 5.173 4.851 5.617 0.207 9 0 "[ . 1 . 2]" 1
1983 1 21 ILE H 1 91 LEU HB2 . . 5.440 3.865 3.736 4.008 . 0 0 "[ . 1 . 2]" 1
1984 1 69 ASN HD21 1 91 LEU HG . . 5.500 3.367 3.127 3.724 . 0 0 "[ . 1 . 2]" 1
1985 1 20 PHE HB3 1 92 THR HA . . 5.110 4.814 4.598 5.099 . 0 0 "[ . 1 . 2]" 1
1986 1 20 PHE HB2 1 92 THR HA . . 5.110 4.143 3.877 4.374 . 0 0 "[ . 1 . 2]" 1
1987 1 20 PHE QD 1 92 THR HB . . 5.230 4.912 4.415 5.117 . 0 0 "[ . 1 . 2]" 1
1988 1 70 GLY H 1 92 THR HB . . 5.240 4.042 3.664 4.400 . 0 0 "[ . 1 . 2]" 1
1989 1 93 ILE HA 1 94 SER HA . . 5.420 4.337 4.327 4.354 . 0 0 "[ . 1 . 2]" 1
1990 1 93 ILE HA 1 94 SER HB2 . . 5.140 4.064 4.016 4.097 . 0 0 "[ . 1 . 2]" 1
1991 1 68 VAL MG2 1 93 ILE HB . . 5.250 4.008 3.856 4.304 . 0 0 "[ . 1 . 2]" 1
1992 1 93 ILE HG12 1 94 SER H . . 5.380 4.515 4.361 4.614 . 0 0 "[ . 1 . 2]" 1
1993 1 92 THR HA 1 93 ILE HG12 . . 5.500 5.530 5.501 5.609 0.109 19 0 "[ . 1 . 2]" 1
1994 1 67 GLU H 1 95 ILE HA . . 4.980 4.487 4.316 4.596 . 0 0 "[ . 1 . 2]" 1
1995 1 94 SER HA 1 95 ILE HA . . 4.980 4.420 4.406 4.431 . 0 0 "[ . 1 . 2]" 1
1996 1 95 ILE HA 1 96 VAL HA . . 5.060 4.379 4.358 4.404 . 0 0 "[ . 1 . 2]" 1
1997 1 95 ILE HA 1 96 VAL HB . . 4.940 4.568 4.531 4.612 . 0 0 "[ . 1 . 2]" 1
1998 1 95 ILE HG13 1 97 ALA H . . 5.110 2.984 2.765 3.116 . 0 0 "[ . 1 . 2]" 1
1999 1 94 SER HA 1 95 ILE HG12 . . 4.850 4.449 4.275 4.548 . 0 0 "[ . 1 . 2]" 1
2000 1 95 ILE HG13 1 97 ALA HA . . 5.200 4.358 4.131 4.541 . 0 0 "[ . 1 . 2]" 1
2001 1 95 ILE HG12 1 97 ALA HA . . 5.280 5.072 4.844 5.165 . 0 0 "[ . 1 . 2]" 1
2002 1 95 ILE MD 1 96 VAL HA . . 4.840 4.428 4.276 4.645 . 0 0 "[ . 1 . 2]" 1
2003 1 16 GLU H 1 96 VAL HA . . 5.500 2.286 1.940 4.419 . 0 0 "[ . 1 . 2]" 1
2004 1 66 VAL MG2 1 96 VAL HB . . 4.960 4.786 4.674 4.977 0.017 10 0 "[ . 1 . 2]" 1
2005 1 98 ALA MB 1 100 GLY H . . 5.410 5.086 4.760 5.283 . 0 0 "[ . 1 . 2]" 1
2006 1 98 ALA H 1 99 ALA MB . . 4.940 4.405 4.287 4.484 . 0 0 "[ . 1 . 2]" 1
2007 1 44 PHE QD 1 100 GLY HA3 . . 3.990 2.567 2.388 2.648 . 0 0 "[ . 1 . 2]" 1
2008 1 99 ALA MB 1 100 GLY HA2 . . 4.950 3.913 3.826 3.976 . 0 0 "[ . 1 . 2]" 1
2009 1 62 GLY H 1 101 ARG HA . . 5.040 4.141 3.830 4.387 . 0 0 "[ . 1 . 2]" 1
2010 1 101 ARG HA 1 104 PHE QE . . 5.050 4.068 3.405 4.354 . 0 0 "[ . 1 . 2]" 1
2011 1 98 ALA MB 1 101 ARG HA . . 5.270 4.107 3.913 4.333 . 0 0 "[ . 1 . 2]" 1
2012 1 101 ARG QG 1 102 GLU H . . 5.270 4.240 2.154 4.634 . 0 0 "[ . 1 . 2]" 1
2013 1 61 ILE MG 1 101 ARG QD . . 5.080 4.567 3.920 5.112 0.032 14 0 "[ . 1 . 2]" 1
2014 1 101 ARG H 1 102 GLU QB . . 5.450 4.601 4.275 4.816 . 0 0 "[ . 1 . 2]" 1
2015 1 102 GLU HG2 1 103 LEU HA . . 5.360 4.146 3.327 5.056 . 0 0 "[ . 1 . 2]" 1
2016 1 103 LEU HA 1 105 MET H . . 5.500 4.437 3.956 5.357 . 0 0 "[ . 1 . 2]" 1
2017 1 102 GLU HA 1 103 LEU HA . . 5.410 4.850 4.688 4.959 . 0 0 "[ . 1 . 2]" 1
2018 1 36 GLY H 1 103 LEU MD1 . . 5.240 4.741 4.228 5.112 . 0 0 "[ . 1 . 2]" 1
2019 1 104 PHE H 1 105 MET HA . . 5.130 4.480 4.055 4.788 . 0 0 "[ . 1 . 2]" 1
2020 1 104 PHE H 1 105 MET HG2 . . 5.310 4.859 4.055 5.339 0.029 18 0 "[ . 1 . 2]" 1
2021 1 104 PHE H 1 105 MET HG3 . . 5.370 4.968 3.526 5.334 . 0 0 "[ . 1 . 2]" 1
2022 1 33 ILE MG 1 46 SER H . . 4.020 4.006 3.847 4.049 0.029 5 0 "[ . 1 . 2]" 1
2023 1 66 VAL MG1 1 94 SER HB3 . . 5.200 4.742 4.507 5.028 . 0 0 "[ . 1 . 2]" 1
2024 1 27 ARG HA 1 28 GLY HA3 . . 4.900 4.416 4.350 4.856 . 0 0 "[ . 1 . 2]" 1
2025 1 27 ARG HA 1 53 LEU QD . . 5.190 4.091 3.216 4.717 . 0 0 "[ . 1 . 2]" 1
2026 1 27 ARG HB2 1 28 GLY H . . 5.310 4.200 2.012 4.672 . 0 0 "[ . 1 . 2]" 1
2027 1 27 ARG HB3 1 28 GLY H . . 5.460 3.281 2.294 4.251 . 0 0 "[ . 1 . 2]" 1
2028 1 23 LEU HA 1 24 VAL HA . . 4.540 4.386 4.302 4.476 . 0 0 "[ . 1 . 2]" 1
2029 1 24 VAL HB 1 25 GLY H . . 5.500 2.916 2.210 4.430 . 0 0 "[ . 1 . 2]" 1
2030 1 23 LEU HB2 1 89 ARG HB3 . . 5.070 2.324 1.989 3.068 . 0 0 "[ . 1 . 2]" 1
2031 1 23 LEU HB3 1 89 ARG HB3 . . 5.070 3.284 2.339 4.044 . 0 0 "[ . 1 . 2]" 1
2032 1 23 LEU QD 1 90 SER HA . . 4.840 4.136 3.846 4.661 . 0 0 "[ . 1 . 2]" 1
2033 1 46 SER HA 1 61 ILE HA . . 4.750 4.369 4.204 4.555 . 0 0 "[ . 1 . 2]" 1
2034 1 40 LYS HE3 1 100 GLY HA3 . . 4.930 3.312 2.407 4.429 . 0 0 "[ . 1 . 2]" 1
2035 1 20 PHE QD 1 21 ILE MD . . 5.500 5.417 5.020 5.524 0.024 10 0 "[ . 1 . 2]" 1
2036 1 21 ILE MD 1 22 SER H . . 5.470 3.636 3.414 4.364 . 0 0 "[ . 1 . 2]" 1
2037 1 20 PHE H 1 21 ILE MD . . 5.350 4.644 3.615 5.040 . 0 0 "[ . 1 . 2]" 1
2038 1 31 CYS HA 1 32 SER HB2 . . 5.350 4.115 4.029 4.203 . 0 0 "[ . 1 . 2]" 1
2039 1 31 CYS HA 1 32 SER HA . . 5.320 4.352 4.325 4.420 . 0 0 "[ . 1 . 2]" 1
2040 1 54 SER HG 1 59 LEU MD1 . . 4.160 3.903 3.554 4.227 0.067 1 0 "[ . 1 . 2]" 1
2041 1 18 LYS HA 1 19 VAL HA . . 4.930 4.377 4.369 4.411 . 0 0 "[ . 1 . 2]" 1
2042 1 16 GLU H 1 96 VAL MG2 . . 5.120 3.587 3.188 5.143 0.023 17 0 "[ . 1 . 2]" 1
2043 1 15 LYS HA 1 96 VAL MG1 . . 5.180 3.592 3.001 4.326 . 0 0 "[ . 1 . 2]" 1
2044 1 15 LYS HA 1 16 GLU HG3 . . 5.250 5.004 3.739 5.213 . 0 0 "[ . 1 . 2]" 1
2045 1 14 ASN HB3 1 15 LYS HA . . 4.350 4.014 3.721 4.351 0.001 9 0 "[ . 1 . 2]" 1
2046 1 15 LYS HA 1 15 LYS QE . . 5.110 4.603 3.389 5.103 . 0 0 "[ . 1 . 2]" 1
2047 1 15 LYS HB3 1 96 VAL MG1 . . 4.530 3.259 2.258 4.565 0.035 17 0 "[ . 1 . 2]" 1
2048 1 15 LYS HB2 1 96 VAL MG1 . . 4.380 3.322 2.254 4.591 0.211 20 0 "[ . 1 . 2]" 1
2049 1 15 LYS HB3 1 97 ALA MB . . 4.650 4.329 2.494 4.680 0.030 6 0 "[ . 1 . 2]" 1
2050 1 12 ARG HB2 1 13 GLU H . . 5.320 4.206 2.641 4.702 . 0 0 "[ . 1 . 2]" 1
2051 1 28 GLY HA2 1 29 LEU QB . . 5.500 3.930 3.753 4.102 . 0 0 "[ . 1 . 2]" 1
2052 1 29 LEU HA 1 31 CYS H . . 5.500 3.830 3.310 4.171 . 0 0 "[ . 1 . 2]" 1
2053 1 30 GLY HA3 1 52 SER HG . . 5.500 4.035 3.146 4.610 . 0 0 "[ . 1 . 2]" 1
2054 1 31 CYS H 1 32 SER HA . . 5.500 4.773 4.561 4.949 . 0 0 "[ . 1 . 2]" 1
2055 1 45 ILE HG13 1 63 ASP H . . 5.280 4.853 4.555 5.108 . 0 0 "[ . 1 . 2]" 1
2056 1 33 ILE HA 1 45 ILE HG13 . . 5.500 4.627 4.390 4.913 . 0 0 "[ . 1 . 2]" 1
2057 1 47 HIS HA 1 47 HIS HD2 . . 4.850 3.613 3.333 3.980 . 0 0 "[ . 1 . 2]" 1
2058 1 47 HIS HA 1 61 ILE H . . 5.500 5.079 4.952 5.261 . 0 0 "[ . 1 . 2]" 1
2059 1 46 SER H 1 47 HIS HA . . 5.500 4.538 4.385 4.678 . 0 0 "[ . 1 . 2]" 1
2060 1 47 HIS H 1 61 ILE MD . . 4.920 4.571 4.341 4.696 . 0 0 "[ . 1 . 2]" 1
2061 1 60 GLU HA 1 61 ILE MD . . 5.130 4.856 4.707 5.090 . 0 0 "[ . 1 . 2]" 1
2062 1 46 SER HA 1 61 ILE MD . . 4.690 4.332 3.856 4.702 0.012 3 0 "[ . 1 . 2]" 1
2063 1 61 ILE MD 1 104 PHE HB2 . . 4.770 4.387 4.031 4.789 0.019 9 0 "[ . 1 . 2]" 1
2064 1 47 HIS HB3 1 61 ILE MD . . 4.860 4.768 4.512 4.872 0.012 17 0 "[ . 1 . 2]" 1
2065 1 61 ILE MD 1 104 PHE HB3 . . 4.910 4.066 3.739 4.765 . 0 0 "[ . 1 . 2]" 1
2066 1 95 ILE HG12 1 96 VAL H . . 5.410 4.929 4.814 5.007 . 0 0 "[ . 1 . 2]" 1
2067 1 95 ILE HG12 1 97 ALA H . . 5.500 4.199 4.056 4.265 . 0 0 "[ . 1 . 2]" 1
2068 1 79 LYS HB3 1 80 GLU HA . . 5.500 4.551 4.457 4.935 . 0 0 "[ . 1 . 2]" 1
2069 1 63 ASP H 1 98 ALA HA . . 5.500 2.932 2.613 3.275 . 0 0 "[ . 1 . 2]" 1
2070 1 63 ASP HA 1 97 ALA HA . . 3.780 3.829 3.798 3.868 0.088 19 0 "[ . 1 . 2]" 1
2071 1 99 ALA MB 1 101 ARG H . . 4.860 4.528 4.278 4.664 . 0 0 "[ . 1 . 2]" 1
2072 1 40 LYS HE3 1 99 ALA MB . . 4.900 4.257 3.690 4.923 0.023 18 0 "[ . 1 . 2]" 1
2073 1 40 LYS HE2 1 99 ALA MB . . 4.990 4.271 3.453 4.903 . 0 0 "[ . 1 . 2]" 1
2074 1 64 GLN HG3 1 99 ALA MB . . 4.190 4.184 4.009 4.232 0.042 8 0 "[ . 1 . 2]" 1
2075 1 82 VAL MG1 1 86 LYS H . . 4.660 3.595 3.392 3.728 . 0 0 "[ . 1 . 2]" 1
2076 1 78 HIS HE1 1 82 VAL MG1 . . 4.720 4.604 4.380 4.733 0.013 13 0 "[ . 1 . 2]" 1
2077 1 44 PHE H 1 104 PHE HZ . . 5.450 4.199 3.977 4.568 . 0 0 "[ . 1 . 2]" 1
2078 1 16 GLU HA 1 95 ILE H . . 5.230 4.805 4.710 4.878 . 0 0 "[ . 1 . 2]" 1
2079 1 68 VAL HB 1 71 VAL MG2 . . 3.910 3.457 3.272 3.694 . 0 0 "[ . 1 . 2]" 1
2080 1 68 VAL HB 1 71 VAL MG1 . . 4.340 3.687 3.499 3.826 . 0 0 "[ . 1 . 2]" 1
2081 1 103 LEU HB3 1 104 PHE QD . . 5.260 4.176 3.870 4.441 . 0 0 "[ . 1 . 2]" 1
2082 1 103 LEU HB2 1 104 PHE HZ . . 5.480 4.398 3.812 4.835 . 0 0 "[ . 1 . 2]" 1
2083 1 33 ILE MD 1 73 PHE QD . . 5.040 5.013 4.888 5.059 0.019 20 0 "[ . 1 . 2]" 1
2084 1 63 ASP HB2 1 98 ALA H . . 5.500 4.363 4.272 4.510 . 0 0 "[ . 1 . 2]" 1
2085 1 18 LYS QE 1 18 LYS HG2 . . 3.770 3.215 2.166 3.558 . 0 0 "[ . 1 . 2]" 1
2086 1 76 LEU HA 1 77 ASP HB2 . . 4.890 4.274 4.154 4.374 . 0 0 "[ . 1 . 2]" 1
2087 1 17 LYS QG 1 95 ILE H . . 5.080 3.020 2.803 3.173 . 0 0 "[ . 1 . 2]" 1
2088 1 17 LYS QG 1 97 ALA H . . 5.170 2.693 2.455 2.990 . 0 0 "[ . 1 . 2]" 1
2089 1 17 LYS QG 1 95 ILE MD . . 4.490 1.993 1.914 2.281 . 0 0 "[ . 1 . 2]" 1
2090 1 17 LYS QG 1 95 ILE HG12 . . 4.830 2.924 2.577 3.064 . 0 0 "[ . 1 . 2]" 1
2091 1 17 LYS H 1 17 LYS QD . . 5.340 4.291 3.824 4.470 . 0 0 "[ . 1 . 2]" 1
2092 1 17 LYS QD 1 18 LYS H . . 5.100 4.367 4.047 5.069 . 0 0 "[ . 1 . 2]" 1
2093 1 17 LYS QD 1 97 ALA H . . 5.500 4.517 2.938 5.105 . 0 0 "[ . 1 . 2]" 1
2094 1 17 LYS HB2 1 97 ALA MB . . 4.630 4.597 4.222 4.858 0.228 10 0 "[ . 1 . 2]" 1
2095 1 31 CYS HB2 1 54 SER HG . . 4.810 4.148 3.562 4.609 . 0 0 "[ . 1 . 2]" 1
2096 1 31 CYS HB3 1 54 SER HG . . 4.510 2.705 1.989 3.238 . 0 0 "[ . 1 . 2]" 1
2097 1 21 ILE MD 1 53 LEU HG . . 4.740 3.237 1.969 4.743 0.003 12 0 "[ . 1 . 2]" 1
2098 1 21 ILE MG 1 53 LEU HG . . 4.400 2.629 1.878 4.423 0.023 20 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 4
_Distance_constraint_stats_list.Viol_count 40
_Distance_constraint_stats_list.Viol_total 359.602
_Distance_constraint_stats_list.Viol_max 0.492
_Distance_constraint_stats_list.Viol_rms 0.2274
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2248
_Distance_constraint_stats_list.Viol_average_violations_only 0.4495
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 47 HIS 9.366 0.492 11 0 "[ . 1 . 2]"
1 61 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ASP 8.614 0.445 20 0 "[ . 1 . 2]"
1 78 HIS 8.614 0.445 20 0 "[ . 1 . 2]"
1 97 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 47 HIS H 1 47 HIS HA . . 2.400 2.868 2.842 2.892 0.492 11 0 "[ . 1 . 2]" 2
2 1 47 HIS H 1 61 ILE HA . . 5.000 4.980 4.964 4.999 . 0 0 "[ . 1 . 2]" 2
3 1 64 GLN H 1 97 ALA H . . 5.000 4.908 4.888 4.930 . 0 0 "[ . 1 . 2]" 2
4 1 77 ASP H 1 78 HIS H . . 4.000 4.431 4.412 4.445 0.445 20 0 "[ . 1 . 2]" 2
stop_
save_
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