NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
458134 |
2ksi   |
16665 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ksi
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 1535
_Distance_constraint_stats_list.Viol_count 1295
_Distance_constraint_stats_list.Viol_total 1467.352
_Distance_constraint_stats_list.Viol_max 0.207
_Distance_constraint_stats_list.Viol_rms 0.0149
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0567
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 SER 0.000 0.000 7 0 "[ . 1 . 2]"
1 3 LEU 0.050 0.027 15 0 "[ . 1 . 2]"
1 4 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 SER 1.926 0.116 6 0 "[ . 1 . 2]"
1 6 ASP 0.239 0.084 18 0 "[ . 1 . 2]"
1 7 GLU 0.243 0.084 18 0 "[ . 1 . 2]"
1 8 VAL 2.972 0.116 6 0 "[ . 1 . 2]"
1 9 PHE 0.434 0.022 5 0 "[ . 1 . 2]"
1 10 ALA 0.651 0.111 14 0 "[ . 1 . 2]"
1 11 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ILE 1.368 0.136 17 0 "[ . 1 . 2]"
1 13 ALA 1.905 0.103 6 0 "[ . 1 . 2]"
1 14 LYS 0.602 0.083 17 0 "[ . 1 . 2]"
1 15 ARG 0.073 0.043 12 0 "[ . 1 . 2]"
1 16 LEU 3.674 0.147 17 0 "[ . 1 . 2]"
1 17 GLU 5.719 0.171 14 0 "[ . 1 . 2]"
1 18 SER 3.614 0.163 17 0 "[ . 1 . 2]"
1 19 ILE 1.883 0.113 7 0 "[ . 1 . 2]"
1 20 ASP 2.379 0.077 6 0 "[ . 1 . 2]"
1 21 PRO 1.227 0.125 2 0 "[ . 1 . 2]"
1 22 ALA 1.595 0.144 17 0 "[ . 1 . 2]"
1 23 ASN 2.134 0.144 17 0 "[ . 1 . 2]"
1 24 ARG 2.215 0.125 2 0 "[ . 1 . 2]"
1 25 GLN 0.599 0.202 19 0 "[ . 1 . 2]"
1 26 VAL 0.959 0.202 19 0 "[ . 1 . 2]"
1 27 GLU 0.494 0.080 15 0 "[ . 1 . 2]"
1 28 HIS 0.005 0.005 6 0 "[ . 1 . 2]"
1 29 VAL 2.468 0.116 4 0 "[ . 1 . 2]"
1 30 TYR 0.358 0.063 17 0 "[ . 1 . 2]"
1 31 LYS 0.551 0.078 7 0 "[ . 1 . 2]"
1 32 PHE 0.445 0.054 11 0 "[ . 1 . 2]"
1 33 ARG 0.721 0.070 3 0 "[ . 1 . 2]"
1 34 ILE 1.095 0.108 14 0 "[ . 1 . 2]"
1 35 THR 1.666 0.207 16 0 "[ . 1 . 2]"
1 36 GLN 0.742 0.169 3 0 "[ . 1 . 2]"
1 37 GLY 0.007 0.007 8 0 "[ . 1 . 2]"
1 38 GLY 0.193 0.093 16 0 "[ . 1 . 2]"
1 39 LYS 0.790 0.207 16 0 "[ . 1 . 2]"
1 40 VAL 0.590 0.110 6 0 "[ . 1 . 2]"
1 41 VAL 0.307 0.046 3 0 "[ . 1 . 2]"
1 42 LYS 0.514 0.110 6 0 "[ . 1 . 2]"
1 43 ASN 0.718 0.070 3 0 "[ . 1 . 2]"
1 44 TRP 1.449 0.108 14 0 "[ . 1 . 2]"
1 45 VAL 1.354 0.151 6 0 "[ . 1 . 2]"
1 46 MET 1.305 0.135 10 0 "[ . 1 . 2]"
1 47 ASP 1.402 0.135 10 0 "[ . 1 . 2]"
1 48 LEU 1.478 0.176 6 0 "[ . 1 . 2]"
1 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 VAL 1.235 0.103 8 0 "[ . 1 . 2]"
1 52 LYS 1.968 0.103 8 0 "[ . 1 . 2]"
1 53 LEU 1.178 0.099 13 0 "[ . 1 . 2]"
1 54 VAL 0.925 0.151 6 0 "[ . 1 . 2]"
1 55 GLU 0.046 0.028 19 0 "[ . 1 . 2]"
1 56 SER 0.874 0.074 3 0 "[ . 1 . 2]"
1 57 ASP 1.239 0.124 18 0 "[ . 1 . 2]"
1 58 ASP 6.268 0.207 9 0 "[ . 1 . 2]"
1 59 ALA 2.621 0.169 9 0 "[ . 1 . 2]"
1 60 ALA 0.516 0.080 7 0 "[ . 1 . 2]"
1 61 GLU 0.050 0.020 7 0 "[ . 1 . 2]"
1 62 ALA 0.956 0.098 12 0 "[ . 1 . 2]"
1 63 THR 5.793 0.187 10 0 "[ . 1 . 2]"
1 64 LEU 0.172 0.039 20 0 "[ . 1 . 2]"
1 65 THR 1.128 0.080 18 0 "[ . 1 . 2]"
1 66 MET 0.026 0.023 14 0 "[ . 1 . 2]"
1 67 GLU 0.434 0.081 4 0 "[ . 1 . 2]"
1 68 ASP 3.136 0.129 14 0 "[ . 1 . 2]"
1 69 ASP 1.722 0.120 10 0 "[ . 1 . 2]"
1 70 ILE 0.206 0.081 4 0 "[ . 1 . 2]"
1 71 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 PHE 0.248 0.053 11 0 "[ . 1 . 2]"
1 73 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ILE 1.023 0.104 3 0 "[ . 1 . 2]"
1 75 GLY 0.485 0.039 10 0 "[ . 1 . 2]"
1 76 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 GLY 0.008 0.008 19 0 "[ . 1 . 2]"
1 78 ALA 0.602 0.088 10 0 "[ . 1 . 2]"
1 79 LEU 0.337 0.042 9 0 "[ . 1 . 2]"
1 80 PRO 0.233 0.056 6 0 "[ . 1 . 2]"
1 81 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 LYS 0.162 0.023 8 0 "[ . 1 . 2]"
1 83 GLU 0.569 0.056 6 0 "[ . 1 . 2]"
1 84 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 MET 0.170 0.023 8 0 "[ . 1 . 2]"
1 86 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 GLN 0.377 0.036 14 0 "[ . 1 . 2]"
1 88 ASP 0.041 0.030 14 0 "[ . 1 . 2]"
1 89 LYS 0.161 0.161 14 0 "[ . 1 . 2]"
1 90 MET 0.338 0.161 14 0 "[ . 1 . 2]"
1 91 GLU 1.249 0.095 14 0 "[ . 1 . 2]"
1 92 VAL 0.295 0.070 19 0 "[ . 1 . 2]"
1 93 ASP 4.372 0.143 14 0 "[ . 1 . 2]"
1 94 GLY 2.116 0.127 10 0 "[ . 1 . 2]"
1 95 GLN 1.162 0.098 12 0 "[ . 1 . 2]"
1 96 VAL 0.530 0.080 10 0 "[ . 1 . 2]"
1 97 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 LEU 0.267 0.060 7 0 "[ . 1 . 2]"
1 99 ILE 3.620 0.185 19 0 "[ . 1 . 2]"
1 100 PHE 0.437 0.039 3 0 "[ . 1 . 2]"
1 101 LEU 0.252 0.060 7 0 "[ . 1 . 2]"
1 102 LEU 2.477 0.185 18 0 "[ . 1 . 2]"
1 103 GLU 2.397 0.130 3 0 "[ . 1 . 2]"
1 104 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 PHE 0.986 0.087 13 0 "[ . 1 . 2]"
1 106 ILE 0.986 0.087 13 0 "[ . 1 . 2]"
1 107 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 LEU 0.088 0.034 11 0 "[ . 1 . 2]"
1 110 LYS 0.088 0.034 11 0 "[ . 1 . 2]"
2 1 PLM 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 2 SER HA 1 3 LEU H . . 2.540 2.181 2.142 2.297 . 0 0 "[ . 1 . 2]" 1
2 1 2 SER QB 1 3 LEU H . . 3.820 3.096 2.778 3.437 . 0 0 "[ . 1 . 2]" 1
3 1 2 SER HB2 1 3 LEU H . . 4.130 3.615 2.828 4.130 0.000 7 0 "[ . 1 . 2]" 1
4 1 2 SER HB3 1 3 LEU H . . 4.130 3.524 3.076 4.095 . 0 0 "[ . 1 . 2]" 1
5 1 3 LEU H 1 3 LEU QB . . 3.840 2.274 2.035 3.109 . 0 0 "[ . 1 . 2]" 1
6 1 3 LEU H 1 3 LEU HG . . 3.700 3.306 2.294 3.727 0.027 15 0 "[ . 1 . 2]" 1
7 1 3 LEU H 1 4 LYS H . . 6.000 4.563 4.466 4.638 . 0 0 "[ . 1 . 2]" 1
8 1 3 LEU HA 1 4 LYS H . . 3.260 2.430 2.152 2.589 . 0 0 "[ . 1 . 2]" 1
9 1 3 LEU HA 1 5 SER H . . 6.000 4.687 3.913 5.058 . 0 0 "[ . 1 . 2]" 1
10 1 3 LEU QB 1 4 LYS H . . 4.230 2.490 2.005 3.277 . 0 0 "[ . 1 . 2]" 1
11 1 3 LEU QB 1 5 SER H . . 4.570 2.973 2.459 3.318 . 0 0 "[ . 1 . 2]" 1
12 1 3 LEU QB 1 6 ASP H . . 5.190 3.185 2.639 4.578 . 0 0 "[ . 1 . 2]" 1
13 1 3 LEU HB2 1 4 LYS H . . 4.780 3.586 2.019 4.399 . 0 0 "[ . 1 . 2]" 1
14 1 3 LEU HB2 1 5 SER H . . 5.240 4.215 2.638 5.007 . 0 0 "[ . 1 . 2]" 1
15 1 3 LEU HB3 1 4 LYS H . . 4.780 2.788 2.150 3.637 . 0 0 "[ . 1 . 2]" 1
16 1 3 LEU HB3 1 5 SER H . . 5.240 3.342 2.483 5.001 . 0 0 "[ . 1 . 2]" 1
17 1 3 LEU QD 1 4 LYS H . . 6.470 2.664 1.937 3.720 . 0 0 "[ . 1 . 2]" 1
18 1 3 LEU QD 1 6 ASP H . . 8.570 3.958 1.821 5.234 . 0 0 "[ . 1 . 2]" 1
19 1 3 LEU QD 1 68 ASP QB . . 7.760 3.888 2.407 5.083 . 0 0 "[ . 1 . 2]" 1
20 1 3 LEU QD 1 72 PHE QD . . 10.700 6.059 4.536 6.982 . 0 0 "[ . 1 . 2]" 1
21 1 3 LEU MD1 1 4 LYS H . . 7.020 4.238 2.648 5.147 . 0 0 "[ . 1 . 2]" 1
22 1 3 LEU MD1 1 5 SER H . . 7.020 4.429 2.090 5.075 . 0 0 "[ . 1 . 2]" 1
23 1 3 LEU MD1 1 68 ASP HB2 . . 9.570 5.367 3.478 6.954 . 0 0 "[ . 1 . 2]" 1
24 1 3 LEU MD1 1 68 ASP HB3 . . 9.570 5.060 2.498 6.425 . 0 0 "[ . 1 . 2]" 1
25 1 3 LEU MD2 1 4 LYS H . . 7.020 2.952 1.939 4.588 . 0 0 "[ . 1 . 2]" 1
26 1 3 LEU MD2 1 5 SER H . . 7.020 3.739 2.594 5.753 . 0 0 "[ . 1 . 2]" 1
27 1 3 LEU MD2 1 68 ASP HB2 . . 9.570 5.475 3.688 7.813 . 0 0 "[ . 1 . 2]" 1
28 1 3 LEU MD2 1 68 ASP HB3 . . 9.570 4.794 2.990 7.425 . 0 0 "[ . 1 . 2]" 1
29 1 3 LEU HG 1 4 LYS QE . . 6.880 5.443 4.581 6.098 . 0 0 "[ . 1 . 2]" 1
30 1 4 LYS H 1 4 LYS HB2 . . 3.800 2.455 2.070 3.596 . 0 0 "[ . 1 . 2]" 1
31 1 4 LYS H 1 4 LYS HB3 . . 3.800 3.384 2.469 3.601 . 0 0 "[ . 1 . 2]" 1
32 1 4 LYS H 1 5 SER H . . 3.480 2.846 2.780 2.933 . 0 0 "[ . 1 . 2]" 1
33 1 4 LYS H 1 6 ASP H . . 5.140 4.034 3.837 4.383 . 0 0 "[ . 1 . 2]" 1
34 1 4 LYS HA 1 4 LYS QG . . 3.870 2.476 2.022 3.346 . 0 0 "[ . 1 . 2]" 1
35 1 4 LYS HA 1 6 ASP H . . 4.740 3.862 3.579 4.000 . 0 0 "[ . 1 . 2]" 1
36 1 4 LYS HA 1 7 GLU H . . 4.270 3.578 3.485 3.623 . 0 0 "[ . 1 . 2]" 1
37 1 4 LYS QB 1 5 SER H . . 4.330 2.457 2.116 3.470 . 0 0 "[ . 1 . 2]" 1
38 1 4 LYS QB 1 72 PHE QD . . 7.990 3.365 2.534 5.153 . 0 0 "[ . 1 . 2]" 1
39 1 4 LYS HB2 1 5 SER H . . 4.880 2.674 2.140 3.820 . 0 0 "[ . 1 . 2]" 1
40 1 4 LYS HB2 1 72 PHE QD . . 8.130 4.317 2.643 5.451 . 0 0 "[ . 1 . 2]" 1
41 1 4 LYS HB3 1 5 SER H . . 4.880 3.135 2.335 3.982 . 0 0 "[ . 1 . 2]" 1
42 1 4 LYS HB3 1 72 PHE QD . . 8.130 3.760 2.558 6.346 . 0 0 "[ . 1 . 2]" 1
43 1 4 LYS HD2 1 72 PHE QD . . 8.130 5.022 3.754 6.526 . 0 0 "[ . 1 . 2]" 1
44 1 4 LYS HD3 1 72 PHE QD . . 8.130 5.269 4.538 6.808 . 0 0 "[ . 1 . 2]" 1
45 1 4 LYS HG2 1 5 SER H . . 6.000 4.435 1.973 5.246 . 0 0 "[ . 1 . 2]" 1
46 1 4 LYS HG3 1 5 SER H . . 6.000 4.422 2.279 4.943 . 0 0 "[ . 1 . 2]" 1
47 1 5 SER H 1 5 SER HG . . 2.800 2.489 1.969 2.810 0.010 9 0 "[ . 1 . 2]" 1
48 1 5 SER H 1 6 ASP H . . 3.910 2.843 2.824 2.863 . 0 0 "[ . 1 . 2]" 1
49 1 5 SER H 1 7 GLU H . . 6.000 4.684 4.599 4.720 . 0 0 "[ . 1 . 2]" 1
50 1 5 SER HA 1 8 VAL H . . 3.300 3.382 3.344 3.416 0.116 6 0 "[ . 1 . 2]" 1
51 1 5 SER HA 1 8 VAL HB . . 3.370 3.282 2.909 3.448 0.078 18 0 "[ . 1 . 2]" 1
52 1 5 SER HA 1 8 VAL MG1 . . 7.020 4.369 4.179 4.617 . 0 0 "[ . 1 . 2]" 1
53 1 5 SER HA 1 8 VAL QG . . 5.690 2.333 1.980 2.647 . 0 0 "[ . 1 . 2]" 1
54 1 5 SER HA 1 8 VAL MG2 . . 7.020 2.343 1.983 2.663 . 0 0 "[ . 1 . 2]" 1
55 1 5 SER HA 1 9 PHE H . . 6.000 4.813 4.477 5.108 . 0 0 "[ . 1 . 2]" 1
56 1 5 SER HA 1 72 PHE QD . . 5.930 4.030 2.955 5.010 . 0 0 "[ . 1 . 2]" 1
57 1 5 SER HB2 1 6 ASP H . . 6.000 3.457 2.869 4.129 . 0 0 "[ . 1 . 2]" 1
58 1 5 SER HB3 1 6 ASP H . . 6.000 3.990 3.405 4.251 . 0 0 "[ . 1 . 2]" 1
59 1 6 ASP H 1 6 ASP HB2 . . 3.700 2.409 2.083 3.586 . 0 0 "[ . 1 . 2]" 1
60 1 6 ASP H 1 6 ASP HB3 . . 3.700 2.862 2.444 3.163 . 0 0 "[ . 1 . 2]" 1
61 1 6 ASP H 1 7 GLU H . . 6.000 2.855 2.804 2.878 . 0 0 "[ . 1 . 2]" 1
62 1 6 ASP H 1 8 VAL H . . 6.000 4.189 4.157 4.227 . 0 0 "[ . 1 . 2]" 1
63 1 6 ASP HA 1 8 VAL H . . 5.390 4.202 4.104 4.329 . 0 0 "[ . 1 . 2]" 1
64 1 6 ASP HA 1 9 PHE H . . 5.600 3.687 3.528 3.787 . 0 0 "[ . 1 . 2]" 1
65 1 6 ASP QB 1 7 GLU H . . 3.480 2.536 2.344 3.300 . 0 0 "[ . 1 . 2]" 1
66 1 6 ASP HB2 1 7 GLU H . . 3.700 3.508 3.231 3.693 . 0 0 "[ . 1 . 2]" 1
67 1 6 ASP HB3 1 7 GLU H . . 3.700 2.649 2.377 3.784 0.084 18 0 "[ . 1 . 2]" 1
68 1 7 GLU H 1 7 GLU HB2 . . 3.260 2.179 2.065 2.458 . 0 0 "[ . 1 . 2]" 1
69 1 7 GLU H 1 7 GLU HB3 . . 3.260 2.991 2.596 3.263 0.003 1 0 "[ . 1 . 2]" 1
70 1 7 GLU H 1 7 GLU HG2 . . 5.710 4.581 4.476 4.662 . 0 0 "[ . 1 . 2]" 1
71 1 7 GLU H 1 7 GLU QG . . 5.120 3.882 3.489 4.034 . 0 0 "[ . 1 . 2]" 1
72 1 7 GLU H 1 7 GLU HG3 . . 5.710 4.206 3.640 4.445 . 0 0 "[ . 1 . 2]" 1
73 1 7 GLU H 1 8 VAL H . . 3.550 2.788 2.752 2.813 . 0 0 "[ . 1 . 2]" 1
74 1 7 GLU HA 1 10 ALA MB . . 3.740 2.646 2.426 2.869 . 0 0 "[ . 1 . 2]" 1
75 1 7 GLU HA 1 11 LYS H . . 4.740 4.135 3.928 4.497 . 0 0 "[ . 1 . 2]" 1
76 1 7 GLU HB2 1 8 VAL H . . 4.850 3.562 3.292 3.917 . 0 0 "[ . 1 . 2]" 1
77 1 7 GLU HB3 1 8 VAL H . . 4.850 2.778 2.658 2.978 . 0 0 "[ . 1 . 2]" 1
78 1 7 GLU HG2 1 8 VAL H . . 6.000 4.753 4.158 5.062 . 0 0 "[ . 1 . 2]" 1
79 1 7 GLU HG3 1 8 VAL H . . 6.000 4.673 3.990 5.041 . 0 0 "[ . 1 . 2]" 1
80 1 8 VAL H 1 8 VAL HB . . 3.080 2.525 2.395 2.623 . 0 0 "[ . 1 . 2]" 1
81 1 8 VAL H 1 9 PHE H . . 3.550 2.952 2.808 3.048 . 0 0 "[ . 1 . 2]" 1
82 1 8 VAL HA 1 9 PHE H . . 3.550 3.570 3.566 3.572 0.022 5 0 "[ . 1 . 2]" 1
83 1 8 VAL HA 1 11 LYS H . . 4.380 3.500 3.417 3.573 . 0 0 "[ . 1 . 2]" 1
84 1 8 VAL HA 1 11 LYS QG . . 4.860 3.257 2.564 4.325 . 0 0 "[ . 1 . 2]" 1
85 1 8 VAL HA 1 12 ILE H . . 6.000 4.109 3.890 4.405 . 0 0 "[ . 1 . 2]" 1
86 1 8 VAL HA 1 76 THR MG . . 7.020 4.588 3.954 5.839 . 0 0 "[ . 1 . 2]" 1
87 1 8 VAL HB 1 9 PHE H . . 4.310 2.233 2.150 2.354 . 0 0 "[ . 1 . 2]" 1
88 1 8 VAL HB 1 9 PHE QD . . 8.130 3.939 2.904 4.371 . 0 0 "[ . 1 . 2]" 1
89 1 8 VAL HB 1 10 ALA H . . 4.810 4.837 4.764 4.921 0.111 14 0 "[ . 1 . 2]" 1
90 1 8 VAL QG 1 12 ILE H . . 8.570 3.777 3.506 3.975 . 0 0 "[ . 1 . 2]" 1
91 1 8 VAL QG 1 12 ILE MD . . 8.510 2.573 2.091 2.932 . 0 0 "[ . 1 . 2]" 1
92 1 8 VAL QG 1 71 MET QB . . 8.510 2.437 1.917 3.572 . 0 0 "[ . 1 . 2]" 1
93 1 8 VAL QG 1 71 MET QG . . 9.380 2.311 1.762 3.653 . 0 0 "[ . 1 . 2]" 1
94 1 8 VAL QG 1 72 PHE HA . . 5.770 1.937 1.818 2.023 . 0 0 "[ . 1 . 2]" 1
95 1 8 VAL QG 1 72 PHE QD . . 8.350 3.146 2.185 4.403 . 0 0 "[ . 1 . 2]" 1
96 1 8 VAL QG 1 72 PHE QE . . 10.700 4.756 3.527 5.980 . 0 0 "[ . 1 . 2]" 1
97 1 8 VAL QG 1 75 GLY H . . 7.780 3.109 2.946 3.239 . 0 0 "[ . 1 . 2]" 1
98 1 8 VAL QG 1 75 GLY QA . . 4.560 1.984 1.787 2.147 . 0 0 "[ . 1 . 2]" 1
99 1 8 VAL QG 1 76 THR H . . 7.630 3.563 3.122 3.873 . 0 0 "[ . 1 . 2]" 1
100 1 8 VAL QG 1 76 THR MG . . 7.780 3.090 2.326 4.246 . 0 0 "[ . 1 . 2]" 1
101 1 8 VAL QG 2 1 PLM HC1 . . 6.570 3.802 3.654 4.024 . 0 0 "[ . 1 . 2]" 1
102 1 8 VAL MG1 1 9 PHE H . . 6.980 2.976 2.679 3.172 . 0 0 "[ . 1 . 2]" 1
103 1 8 VAL MG1 1 72 PHE HA . . 7.020 3.778 2.873 4.020 . 0 0 "[ . 1 . 2]" 1
104 1 8 VAL MG1 1 72 PHE QD . . 9.150 5.399 4.691 6.230 . 0 0 "[ . 1 . 2]" 1
105 1 8 VAL MG1 1 75 GLY HA2 . . 5.070 2.977 2.697 3.442 . 0 0 "[ . 1 . 2]" 1
106 1 8 VAL MG1 1 75 GLY HA3 . . 5.070 2.185 1.872 2.530 . 0 0 "[ . 1 . 2]" 1
107 1 8 VAL MG1 1 76 THR MG . . 8.040 4.446 3.875 5.388 . 0 0 "[ . 1 . 2]" 1
108 1 8 VAL MG2 1 9 PHE H . . 6.980 3.737 3.660 3.855 . 0 0 "[ . 1 . 2]" 1
109 1 8 VAL MG2 1 72 PHE HA . . 7.020 1.943 1.838 2.029 . 0 0 "[ . 1 . 2]" 1
110 1 8 VAL MG2 1 72 PHE QD . . 9.150 3.182 2.188 4.502 . 0 0 "[ . 1 . 2]" 1
111 1 8 VAL MG2 1 75 GLY HA2 . . 5.070 3.975 3.897 4.079 . 0 0 "[ . 1 . 2]" 1
112 1 8 VAL MG2 1 75 GLY HA3 . . 5.070 2.420 2.314 2.599 . 0 0 "[ . 1 . 2]" 1
113 1 8 VAL MG2 1 76 THR MG . . 8.040 3.160 2.345 4.444 . 0 0 "[ . 1 . 2]" 1
114 1 9 PHE H 1 9 PHE QB . . 3.830 2.522 2.196 2.692 . 0 0 "[ . 1 . 2]" 1
115 1 9 PHE H 1 10 ALA H . . 3.700 2.875 2.834 2.921 . 0 0 "[ . 1 . 2]" 1
116 1 9 PHE HA 1 9 PHE QB . . 2.670 2.370 2.300 2.502 . 0 0 "[ . 1 . 2]" 1
117 1 9 PHE HA 1 12 ILE H . . 3.950 3.723 3.619 3.832 . 0 0 "[ . 1 . 2]" 1
118 1 9 PHE HA 1 12 ILE HB . . 3.230 2.990 2.731 3.099 . 0 0 "[ . 1 . 2]" 1
119 1 9 PHE HA 1 12 ILE MD . . 4.820 3.058 2.824 3.342 . 0 0 "[ . 1 . 2]" 1
120 1 9 PHE HA 1 12 ILE MG . . 5.220 4.259 3.955 4.353 . 0 0 "[ . 1 . 2]" 1
121 1 9 PHE HA 1 13 ALA H . . 5.600 4.135 3.633 4.480 . 0 0 "[ . 1 . 2]" 1
122 1 9 PHE HA 1 53 LEU QD . . 8.570 2.748 1.931 4.444 . 0 0 "[ . 1 . 2]" 1
123 1 9 PHE QB 1 44 TRP HD1 . . 6.880 4.564 3.333 5.988 . 0 0 "[ . 1 . 2]" 1
124 1 9 PHE QB 1 53 LEU QD . . 8.330 2.990 2.331 4.752 . 0 0 "[ . 1 . 2]" 1
125 1 9 PHE QD 1 12 ILE MD . . 8.540 3.536 2.992 4.005 . 0 0 "[ . 1 . 2]" 1
126 1 9 PHE QD 1 34 ILE MD . . 9.150 4.601 4.018 5.846 . 0 0 "[ . 1 . 2]" 1
127 1 9 PHE QD 1 44 TRP HE1 . . 8.130 3.536 2.674 4.326 . 0 0 "[ . 1 . 2]" 1
128 1 9 PHE QD 1 53 LEU MD1 . . 8.180 4.980 3.902 5.951 . 0 0 "[ . 1 . 2]" 1
129 1 9 PHE QD 1 53 LEU QD . . 7.960 2.719 2.039 4.651 . 0 0 "[ . 1 . 2]" 1
130 1 9 PHE QD 1 53 LEU MD2 . . 8.180 2.770 2.043 4.969 . 0 0 "[ . 1 . 2]" 1
131 1 9 PHE QE 1 12 ILE MD . . 9.150 4.588 4.074 5.025 . 0 0 "[ . 1 . 2]" 1
132 1 9 PHE QE 1 32 PHE HB2 . . 8.130 4.868 4.020 6.013 . 0 0 "[ . 1 . 2]" 1
133 1 9 PHE QE 1 32 PHE QB . . 7.940 3.716 2.981 4.729 . 0 0 "[ . 1 . 2]" 1
134 1 9 PHE QE 1 32 PHE HB3 . . 8.130 3.861 3.058 4.947 . 0 0 "[ . 1 . 2]" 1
135 1 9 PHE QE 1 32 PHE QD . . 10.260 4.002 2.356 5.127 . 0 0 "[ . 1 . 2]" 1
136 1 9 PHE QE 1 34 ILE MD . . 8.140 2.687 1.966 3.938 . 0 0 "[ . 1 . 2]" 1
137 1 9 PHE QE 1 34 ILE QG . . 9.010 3.246 2.763 4.390 . 0 0 "[ . 1 . 2]" 1
138 1 9 PHE QE 1 34 ILE MG . . 9.150 4.090 3.375 5.260 . 0 0 "[ . 1 . 2]" 1
139 1 9 PHE QE 1 44 TRP QB . . 9.010 3.663 2.894 4.500 . 0 0 "[ . 1 . 2]" 1
140 1 9 PHE QE 1 44 TRP HD1 . . 8.130 4.093 3.274 4.828 . 0 0 "[ . 1 . 2]" 1
141 1 9 PHE QE 1 44 TRP HE1 . . 8.130 3.996 2.889 4.631 . 0 0 "[ . 1 . 2]" 1
142 1 9 PHE QE 1 53 LEU QD . . 10.700 4.054 2.903 4.770 . 0 0 "[ . 1 . 2]" 1
143 1 9 PHE HZ 1 44 TRP HD1 . . 6.000 5.445 4.050 6.019 0.019 7 0 "[ . 1 . 2]" 1
144 1 10 ALA H 1 11 LYS H . . 3.660 2.725 2.662 2.781 . 0 0 "[ . 1 . 2]" 1
145 1 10 ALA HA 1 13 ALA H . . 4.340 3.730 3.489 3.963 . 0 0 "[ . 1 . 2]" 1
146 1 10 ALA HA 1 13 ALA MB . . 3.740 2.836 2.702 2.990 . 0 0 "[ . 1 . 2]" 1
147 1 10 ALA MB 1 11 LYS H . . 4.210 2.553 2.372 2.730 . 0 0 "[ . 1 . 2]" 1
148 1 10 ALA MB 1 14 LYS QB . . 6.670 4.010 3.744 4.525 . 0 0 "[ . 1 . 2]" 1
149 1 11 LYS H 1 11 LYS HB2 . . 3.910 2.374 2.084 2.634 . 0 0 "[ . 1 . 2]" 1
150 1 11 LYS H 1 11 LYS QB . . 3.560 2.339 2.065 2.571 . 0 0 "[ . 1 . 2]" 1
151 1 11 LYS H 1 11 LYS HB3 . . 3.910 3.553 3.376 3.591 . 0 0 "[ . 1 . 2]" 1
152 1 11 LYS H 1 11 LYS QG . . 4.290 2.490 2.100 3.608 . 0 0 "[ . 1 . 2]" 1
153 1 11 LYS H 1 12 ILE H . . 3.440 2.823 2.726 2.912 . 0 0 "[ . 1 . 2]" 1
154 1 11 LYS HA 1 11 LYS HE2 . . 6.000 3.556 2.167 5.035 . 0 0 "[ . 1 . 2]" 1
155 1 11 LYS HA 1 11 LYS QE . . 5.820 3.209 2.027 4.588 . 0 0 "[ . 1 . 2]" 1
156 1 11 LYS HA 1 11 LYS HE3 . . 6.000 4.085 2.035 5.614 . 0 0 "[ . 1 . 2]" 1
157 1 11 LYS HA 1 11 LYS QG . . 3.670 2.612 2.044 2.978 . 0 0 "[ . 1 . 2]" 1
158 1 11 LYS HA 1 13 ALA H . . 6.000 4.694 4.268 4.908 . 0 0 "[ . 1 . 2]" 1
159 1 11 LYS HA 1 14 LYS QB . . 4.220 2.824 2.647 3.170 . 0 0 "[ . 1 . 2]" 1
160 1 11 LYS QB 1 14 LYS H . . 6.880 5.099 5.021 5.199 . 0 0 "[ . 1 . 2]" 1
161 1 11 LYS QB 1 14 LYS QB . . 6.320 4.502 4.308 4.947 . 0 0 "[ . 1 . 2]" 1
162 1 11 LYS HB2 1 12 ILE H . . 3.880 2.487 2.298 2.836 . 0 0 "[ . 1 . 2]" 1
163 1 11 LYS HB3 1 12 ILE H . . 3.880 3.265 2.795 3.539 . 0 0 "[ . 1 . 2]" 1
164 1 11 LYS QD 1 12 ILE H . . 6.880 4.796 4.340 5.170 . 0 0 "[ . 1 . 2]" 1
165 1 11 LYS QG 1 12 ILE H . . 5.730 4.096 3.751 4.368 . 0 0 "[ . 1 . 2]" 1
166 1 12 ILE H 1 12 ILE HB . . 3.370 2.448 2.368 2.475 . 0 0 "[ . 1 . 2]" 1
167 1 12 ILE H 1 12 ILE MD . . 5.720 3.676 3.604 3.817 . 0 0 "[ . 1 . 2]" 1
168 1 12 ILE H 1 12 ILE HG12 . . 3.410 3.475 3.427 3.546 0.136 17 0 "[ . 1 . 2]" 1
169 1 12 ILE H 1 12 ILE HG13 . . 3.080 2.276 2.213 2.461 . 0 0 "[ . 1 . 2]" 1
170 1 12 ILE H 1 13 ALA H . . 3.620 2.868 2.699 2.994 . 0 0 "[ . 1 . 2]" 1
171 1 12 ILE HA 1 12 ILE HG12 . . 2.690 2.415 2.317 2.469 . 0 0 "[ . 1 . 2]" 1
172 1 12 ILE HA 1 12 ILE HG13 . . 3.800 2.929 2.892 2.969 . 0 0 "[ . 1 . 2]" 1
173 1 12 ILE HA 1 15 ARG H . . 3.880 3.623 3.514 3.766 . 0 0 "[ . 1 . 2]" 1
174 1 12 ILE HA 1 15 ARG HB2 . . 3.770 2.984 2.544 3.778 0.008 4 0 "[ . 1 . 2]" 1
175 1 12 ILE HA 1 15 ARG QB . . 3.370 2.694 2.469 2.921 . 0 0 "[ . 1 . 2]" 1
176 1 12 ILE HA 1 15 ARG HB3 . . 3.770 3.402 2.509 3.813 0.043 12 0 "[ . 1 . 2]" 1
177 1 12 ILE HA 1 109 LEU MD1 . . 5.580 2.817 2.071 3.838 . 0 0 "[ . 1 . 2]" 1
178 1 12 ILE HA 1 109 LEU QD . . 5.210 2.066 1.855 2.575 . 0 0 "[ . 1 . 2]" 1
179 1 12 ILE HA 1 109 LEU MD2 . . 5.580 2.222 1.882 2.980 . 0 0 "[ . 1 . 2]" 1
180 1 12 ILE HB 1 13 ALA H . . 3.550 2.453 2.290 2.785 . 0 0 "[ . 1 . 2]" 1
181 1 12 ILE HB 1 14 LYS H . . 6.000 5.128 4.983 5.404 . 0 0 "[ . 1 . 2]" 1
182 1 12 ILE MD 2 1 PLM HC1 . . 4.380 2.003 1.887 2.180 . 0 0 "[ . 1 . 2]" 1
183 1 12 ILE HG12 1 13 ALA H . . 6.000 4.919 4.837 5.078 . 0 0 "[ . 1 . 2]" 1
184 1 12 ILE HG12 2 1 PLM HC1 . . 6.880 3.145 2.894 3.468 . 0 0 "[ . 1 . 2]" 1
185 1 12 ILE HG13 2 1 PLM HC1 . . 4.360 3.871 3.814 3.946 . 0 0 "[ . 1 . 2]" 1
186 1 12 ILE MG 1 13 ALA H . . 5.720 3.051 2.728 3.447 . 0 0 "[ . 1 . 2]" 1
187 1 12 ILE MG 2 1 PLM H91 . . 4.730 3.128 2.501 3.375 . 0 0 "[ . 1 . 2]" 1
188 1 13 ALA H 1 13 ALA HA . . 2.760 2.791 2.743 2.848 0.088 7 0 "[ . 1 . 2]" 1
189 1 13 ALA H 1 14 LYS H . . 3.800 2.841 2.670 2.936 . 0 0 "[ . 1 . 2]" 1
190 1 13 ALA HA 1 16 LEU HB2 . . 4.490 3.565 3.038 4.547 0.057 6 0 "[ . 1 . 2]" 1
191 1 13 ALA HA 1 16 LEU QB . . 3.900 3.207 2.994 3.398 . 0 0 "[ . 1 . 2]" 1
192 1 13 ALA HA 1 16 LEU HB3 . . 4.490 4.255 3.084 4.561 0.071 20 0 "[ . 1 . 2]" 1
193 1 13 ALA HA 1 16 LEU QD . . 5.690 2.166 1.831 2.529 . 0 0 "[ . 1 . 2]" 1
194 1 13 ALA HA 1 16 LEU HG . . 2.900 2.360 1.916 3.003 0.103 6 0 "[ . 1 . 2]" 1
195 1 13 ALA HA 1 53 LEU QD . . 5.800 2.445 1.961 2.893 . 0 0 "[ . 1 . 2]" 1
196 1 13 ALA MB 1 53 LEU QD . . 8.180 2.490 2.129 2.883 . 0 0 "[ . 1 . 2]" 1
197 1 14 LYS H 1 14 LYS QB . . 3.820 2.198 2.048 2.416 . 0 0 "[ . 1 . 2]" 1
198 1 14 LYS H 1 14 LYS QG . . 5.040 3.598 2.232 4.020 . 0 0 "[ . 1 . 2]" 1
199 1 14 LYS H 1 15 ARG H . . 3.550 2.727 2.694 2.788 . 0 0 "[ . 1 . 2]" 1
200 1 14 LYS HA 1 17 GLU H . . 3.550 3.575 3.488 3.633 0.083 17 0 "[ . 1 . 2]" 1
201 1 14 LYS HA 1 17 GLU HB2 . . 4.880 3.643 2.681 4.016 . 0 0 "[ . 1 . 2]" 1
202 1 14 LYS HA 1 17 GLU QB . . 4.330 3.516 2.653 3.831 . 0 0 "[ . 1 . 2]" 1
203 1 14 LYS HA 1 17 GLU HB3 . . 4.880 4.719 4.226 4.905 0.025 4 0 "[ . 1 . 2]" 1
204 1 14 LYS HA 1 17 GLU QG . . 3.820 2.466 2.070 3.050 . 0 0 "[ . 1 . 2]" 1
205 1 14 LYS QG 1 15 ARG H . . 5.450 4.099 2.447 4.556 . 0 0 "[ . 1 . 2]" 1
206 1 14 LYS HG2 1 15 ARG H . . 6.000 4.471 2.521 5.283 . 0 0 "[ . 1 . 2]" 1
207 1 14 LYS HG3 1 15 ARG H . . 6.000 4.866 3.310 5.417 . 0 0 "[ . 1 . 2]" 1
208 1 15 ARG H 1 15 ARG HB2 . . 3.590 2.276 2.092 2.907 . 0 0 "[ . 1 . 2]" 1
209 1 15 ARG H 1 15 ARG QB . . 3.390 2.134 2.063 2.271 . 0 0 "[ . 1 . 2]" 1
210 1 15 ARG H 1 15 ARG HB3 . . 3.590 2.951 2.250 3.441 . 0 0 "[ . 1 . 2]" 1
211 1 15 ARG H 1 16 LEU H . . 6.000 2.493 2.424 2.707 . 0 0 "[ . 1 . 2]" 1
212 1 15 ARG H 1 109 LEU MD1 . . 7.020 5.334 3.901 5.786 . 0 0 "[ . 1 . 2]" 1
213 1 15 ARG H 1 109 LEU QD . . 6.540 3.859 3.347 4.688 . 0 0 "[ . 1 . 2]" 1
214 1 15 ARG H 1 109 LEU MD2 . . 7.020 4.179 3.369 5.763 . 0 0 "[ . 1 . 2]" 1
215 1 16 LEU H 1 16 LEU HB2 . . 3.440 2.855 2.381 3.538 0.098 7 0 "[ . 1 . 2]" 1
216 1 16 LEU H 1 16 LEU HB3 . . 3.440 3.302 2.196 3.587 0.147 17 0 "[ . 1 . 2]" 1
217 1 16 LEU H 1 16 LEU HG . . 2.980 2.240 1.923 2.987 0.007 12 0 "[ . 1 . 2]" 1
218 1 16 LEU H 1 17 GLU H . . 3.590 2.574 2.407 2.662 . 0 0 "[ . 1 . 2]" 1
219 1 16 LEU H 1 17 GLU QG . . 6.880 3.778 3.583 4.079 . 0 0 "[ . 1 . 2]" 1
220 1 16 LEU H 1 53 LEU QD . . 8.570 4.751 4.350 5.107 . 0 0 "[ . 1 . 2]" 1
221 1 16 LEU HA 1 19 ILE H . . 6.000 3.321 2.936 3.844 . 0 0 "[ . 1 . 2]" 1
222 1 16 LEU HA 1 19 ILE MD . . 4.570 2.086 1.837 2.989 . 0 0 "[ . 1 . 2]" 1
223 1 16 LEU HA 1 19 ILE QG . . 6.270 2.717 1.956 4.066 . 0 0 "[ . 1 . 2]" 1
224 1 16 LEU HA 1 51 VAL QG . . 8.060 3.576 3.220 4.801 . 0 0 "[ . 1 . 2]" 1
225 1 16 LEU HA 2 1 PLM H41 . . 4.720 3.638 2.972 4.282 . 0 0 "[ . 1 . 2]" 1
226 1 16 LEU QB 1 17 GLU H . . 4.360 3.035 2.612 3.601 . 0 0 "[ . 1 . 2]" 1
227 1 16 LEU QB 1 51 VAL QG . . 7.520 2.127 1.690 3.928 . 0 0 "[ . 1 . 2]" 1
228 1 16 LEU HB2 1 17 GLU H . . 4.810 3.236 2.651 4.315 . 0 0 "[ . 1 . 2]" 1
229 1 16 LEU HB2 1 51 VAL MG1 . . 9.510 2.327 1.831 4.356 . 0 0 "[ . 1 . 2]" 1
230 1 16 LEU HB2 1 51 VAL MG2 . . 9.510 4.680 3.266 6.074 . 0 0 "[ . 1 . 2]" 1
231 1 16 LEU HB3 1 17 GLU H . . 4.810 4.012 3.671 4.253 . 0 0 "[ . 1 . 2]" 1
232 1 16 LEU HB3 1 51 VAL MG1 . . 9.510 2.592 1.854 4.944 . 0 0 "[ . 1 . 2]" 1
233 1 16 LEU HB3 1 51 VAL MG2 . . 9.510 4.518 3.521 7.231 . 0 0 "[ . 1 . 2]" 1
234 1 16 LEU QD 1 19 ILE MD . . 9.590 2.202 1.774 3.198 . 0 0 "[ . 1 . 2]" 1
235 1 16 LEU QD 1 48 LEU HG . . 7.020 3.691 2.293 5.075 . 0 0 "[ . 1 . 2]" 1
236 1 16 LEU QD 1 51 VAL H . . 6.410 4.103 3.668 4.411 . 0 0 "[ . 1 . 2]" 1
237 1 16 LEU QD 1 51 VAL HA . . 5.650 2.538 1.946 2.856 . 0 0 "[ . 1 . 2]" 1
238 1 16 LEU QD 1 51 VAL QG . . 8.980 2.559 1.714 2.920 . 0 0 "[ . 1 . 2]" 1
239 1 16 LEU QD 1 52 LYS H . . 7.270 3.244 2.714 3.644 . 0 0 "[ . 1 . 2]" 1
240 1 16 LEU QD 1 53 LEU QB . . 7.210 3.738 2.520 4.357 . 0 0 "[ . 1 . 2]" 1
241 1 16 LEU QD 2 1 PLM H21 . . 9.070 4.586 3.547 5.725 . 0 0 "[ . 1 . 2]" 1
242 1 16 LEU QD 2 1 PLM H61 . . 6.930 2.147 1.827 3.496 . 0 0 "[ . 1 . 2]" 1
243 1 16 LEU QD 2 1 PLM H71 . . 6.900 2.793 2.041 4.427 . 0 0 "[ . 1 . 2]" 1
244 1 16 LEU MD1 1 17 GLU H . . 7.020 4.519 3.342 4.943 . 0 0 "[ . 1 . 2]" 1
245 1 16 LEU MD1 1 51 VAL MG1 . . 11.140 2.682 1.720 3.094 . 0 0 "[ . 1 . 2]" 1
246 1 16 LEU MD1 1 51 VAL MG2 . . 11.140 4.092 2.996 4.429 . 0 0 "[ . 1 . 2]" 1
247 1 16 LEU MD1 1 53 LEU HB2 . . 9.420 4.365 3.742 6.400 . 0 0 "[ . 1 . 2]" 1
248 1 16 LEU MD1 1 53 LEU HB3 . . 9.420 5.535 4.929 7.596 . 0 0 "[ . 1 . 2]" 1
249 1 16 LEU MD2 1 17 GLU H . . 7.020 4.355 3.839 4.839 . 0 0 "[ . 1 . 2]" 1
250 1 16 LEU MD2 1 51 VAL MG1 . . 11.140 3.735 3.039 4.121 . 0 0 "[ . 1 . 2]" 1
251 1 16 LEU MD2 1 51 VAL MG2 . . 11.140 5.168 4.487 5.553 . 0 0 "[ . 1 . 2]" 1
252 1 16 LEU MD2 1 53 LEU HB2 . . 9.420 5.520 2.559 6.680 . 0 0 "[ . 1 . 2]" 1
253 1 16 LEU MD2 1 53 LEU HB3 . . 9.420 6.603 3.983 7.636 . 0 0 "[ . 1 . 2]" 1
254 1 16 LEU HG 1 17 GLU H . . 4.630 3.817 2.264 4.556 . 0 0 "[ . 1 . 2]" 1
255 1 17 GLU H 1 17 GLU QB . . 3.680 2.543 2.354 2.582 . 0 0 "[ . 1 . 2]" 1
256 1 17 GLU H 1 17 GLU HG2 . . 3.370 3.244 3.164 3.440 0.070 14 0 "[ . 1 . 2]" 1
257 1 17 GLU H 1 17 GLU QG . . 3.040 2.023 1.909 2.428 . 0 0 "[ . 1 . 2]" 1
258 1 17 GLU H 1 17 GLU HG3 . . 3.370 2.046 1.925 2.483 . 0 0 "[ . 1 . 2]" 1
259 1 17 GLU H 1 18 SER H . . 6.000 2.622 2.335 2.725 . 0 0 "[ . 1 . 2]" 1
260 1 17 GLU HA 1 17 GLU HG2 . . 3.080 2.622 2.360 2.731 . 0 0 "[ . 1 . 2]" 1
261 1 17 GLU HA 1 17 GLU QG . . 2.860 2.496 2.299 2.571 . 0 0 "[ . 1 . 2]" 1
262 1 17 GLU HA 1 17 GLU HG3 . . 3.080 3.147 3.111 3.251 0.171 14 0 "[ . 1 . 2]" 1
263 1 17 GLU HA 1 18 SER H . . 3.300 3.420 3.344 3.463 0.163 17 0 "[ . 1 . 2]" 1
264 1 17 GLU HA 1 19 ILE H . . 6.000 4.145 3.604 4.658 . 0 0 "[ . 1 . 2]" 1
265 1 17 GLU QB 1 18 SER H . . 3.850 3.022 2.888 3.219 . 0 0 "[ . 1 . 2]" 1
266 1 17 GLU HB2 1 18 SER H . . 4.160 3.113 2.962 3.346 . 0 0 "[ . 1 . 2]" 1
267 1 17 GLU HB3 1 18 SER H . . 4.160 4.091 3.880 4.223 0.063 3 0 "[ . 1 . 2]" 1
268 1 17 GLU QG 1 18 SER H . . 4.580 4.087 4.023 4.322 . 0 0 "[ . 1 . 2]" 1
269 1 17 GLU HG2 1 18 SER H . . 5.030 5.079 5.049 5.110 0.080 3 0 "[ . 1 . 2]" 1
270 1 17 GLU HG3 1 18 SER H . . 5.030 4.314 4.211 4.682 . 0 0 "[ . 1 . 2]" 1
271 1 18 SER H 1 18 SER HB2 . . 3.590 2.284 2.105 2.768 . 0 0 "[ . 1 . 2]" 1
272 1 18 SER H 1 18 SER QB . . 3.280 2.222 2.083 2.681 . 0 0 "[ . 1 . 2]" 1
273 1 18 SER H 1 18 SER HB3 . . 3.590 3.156 2.759 3.616 0.026 4 0 "[ . 1 . 2]" 1
274 1 18 SER H 1 19 ILE H . . 3.370 2.439 2.228 2.612 . 0 0 "[ . 1 . 2]" 1
275 1 18 SER H 1 19 ILE HB . . 5.500 4.685 4.398 4.878 . 0 0 "[ . 1 . 2]" 1
276 1 18 SER H 1 19 ILE MD . . 7.020 4.319 3.167 4.959 . 0 0 "[ . 1 . 2]" 1
277 1 18 SER QB 1 19 ILE H . . 3.780 2.833 2.338 3.133 . 0 0 "[ . 1 . 2]" 1
278 1 18 SER HB2 1 19 ILE H . . 4.060 3.408 2.577 3.927 . 0 0 "[ . 1 . 2]" 1
279 1 18 SER HB3 1 19 ILE H . . 4.060 3.210 2.371 3.911 . 0 0 "[ . 1 . 2]" 1
280 1 19 ILE H 1 19 ILE HA . . 2.650 2.744 2.729 2.763 0.113 7 0 "[ . 1 . 2]" 1
281 1 19 ILE H 1 19 ILE HB . . 2.870 2.569 2.437 2.757 . 0 0 "[ . 1 . 2]" 1
282 1 19 ILE H 1 19 ILE MD . . 5.470 3.066 2.126 3.578 . 0 0 "[ . 1 . 2]" 1
283 1 19 ILE H 1 19 ILE HG12 . . 4.090 3.548 3.366 3.857 . 0 0 "[ . 1 . 2]" 1
284 1 19 ILE H 1 19 ILE QG . . 3.530 2.148 1.900 2.546 . 0 0 "[ . 1 . 2]" 1
285 1 19 ILE H 1 19 ILE HG13 . . 4.090 2.168 1.910 2.583 . 0 0 "[ . 1 . 2]" 1
286 1 19 ILE H 1 20 ASP H . . 5.570 4.349 4.330 4.595 . 0 0 "[ . 1 . 2]" 1
287 1 19 ILE HA 1 19 ILE MD . . 4.640 3.792 3.597 3.893 . 0 0 "[ . 1 . 2]" 1
288 1 19 ILE HA 1 19 ILE HG12 . . 3.550 2.794 2.475 3.317 . 0 0 "[ . 1 . 2]" 1
289 1 19 ILE HA 1 19 ILE QG . . 3.170 2.372 2.232 2.476 . 0 0 "[ . 1 . 2]" 1
290 1 19 ILE HA 1 19 ILE HG13 . . 3.550 2.688 2.276 2.930 . 0 0 "[ . 1 . 2]" 1
291 1 19 ILE HA 1 20 ASP H . . 2.540 2.169 2.164 2.187 . 0 0 "[ . 1 . 2]" 1
292 1 19 ILE HB 1 20 ASP H . . 4.560 4.409 4.115 4.493 . 0 0 "[ . 1 . 2]" 1
293 1 19 ILE MD 1 20 ASP H . . 6.660 5.366 5.056 5.478 . 0 0 "[ . 1 . 2]" 1
294 1 19 ILE MD 1 24 ARG QD . . 7.900 4.559 4.220 4.911 . 0 0 "[ . 1 . 2]" 1
295 1 19 ILE MD 2 1 PLM H21 . . 5.900 3.596 3.222 3.951 . 0 0 "[ . 1 . 2]" 1
296 1 19 ILE MD 2 1 PLM H31 . . 5.050 2.037 1.713 2.856 . 0 0 "[ . 1 . 2]" 1
297 1 19 ILE QG 1 20 ASP H . . 5.530 4.235 3.928 4.384 . 0 0 "[ . 1 . 2]" 1
298 1 19 ILE HG12 1 20 ASP H . . 6.000 4.774 4.213 5.333 . 0 0 "[ . 1 . 2]" 1
299 1 19 ILE HG12 2 1 PLM H31 . . 4.710 2.348 1.935 3.338 . 0 0 "[ . 1 . 2]" 1
300 1 19 ILE HG13 1 20 ASP H . . 6.000 4.820 4.439 5.045 . 0 0 "[ . 1 . 2]" 1
301 1 19 ILE HG13 2 1 PLM H31 . . 4.710 3.612 3.261 3.984 . 0 0 "[ . 1 . 2]" 1
302 1 19 ILE MG 1 20 ASP H . . 4.530 2.976 2.131 3.168 . 0 0 "[ . 1 . 2]" 1
303 1 19 ILE MG 1 21 PRO HA . . 5.540 4.314 4.036 4.474 . 0 0 "[ . 1 . 2]" 1
304 1 19 ILE MG 1 24 ARG QD . . 5.670 2.051 1.846 2.320 . 0 0 "[ . 1 . 2]" 1
305 1 19 ILE MG 1 27 GLU HG2 . . 7.020 5.240 4.008 5.879 . 0 0 "[ . 1 . 2]" 1
306 1 19 ILE MG 1 27 GLU HG3 . . 7.020 5.398 4.562 5.863 . 0 0 "[ . 1 . 2]" 1
307 1 19 ILE MG 2 1 PLM H21 . . 6.440 4.102 3.642 4.499 . 0 0 "[ . 1 . 2]" 1
308 1 20 ASP H 1 20 ASP HB2 . . 2.940 2.240 2.066 2.425 . 0 0 "[ . 1 . 2]" 1
309 1 20 ASP H 1 20 ASP HB3 . . 3.230 3.284 3.254 3.307 0.077 6 0 "[ . 1 . 2]" 1
310 1 20 ASP HA 1 20 ASP HB3 . . 2.800 2.844 2.827 2.871 0.071 10 0 "[ . 1 . 2]" 1
311 1 20 ASP HA 1 21 PRO HD2 . . 2.540 2.265 2.245 2.367 . 0 0 "[ . 1 . 2]" 1
312 1 20 ASP HA 1 21 PRO HD3 . . 2.540 2.260 2.256 2.286 . 0 0 "[ . 1 . 2]" 1
313 1 20 ASP HA 1 22 ALA H . . 6.000 3.852 3.778 4.108 . 0 0 "[ . 1 . 2]" 1
314 1 20 ASP HB2 1 23 ASN H . . 4.560 4.558 4.270 4.601 0.041 20 0 "[ . 1 . 2]" 1
315 1 21 PRO HA 1 24 ARG HD2 . . 3.410 3.173 2.830 3.477 0.067 13 0 "[ . 1 . 2]" 1
316 1 21 PRO HA 1 24 ARG HD3 . . 3.410 2.936 2.119 3.535 0.125 2 0 "[ . 1 . 2]" 1
317 1 21 PRO HA 1 24 ARG QG . . 5.660 2.840 2.385 3.815 . 0 0 "[ . 1 . 2]" 1
318 1 21 PRO QD 1 22 ALA H . . 4.520 2.698 2.605 2.789 . 0 0 "[ . 1 . 2]" 1
319 1 21 PRO HD2 1 22 ALA H . . 4.920 2.751 2.650 2.852 . 0 0 "[ . 1 . 2]" 1
320 1 21 PRO HD3 1 22 ALA H . . 4.920 3.898 3.841 3.952 . 0 0 "[ . 1 . 2]" 1
321 1 21 PRO QG 1 22 ALA H . . 4.910 2.793 2.414 3.011 . 0 0 "[ . 1 . 2]" 1
322 1 21 PRO HG2 1 22 ALA H . . 5.320 2.834 2.436 3.065 . 0 0 "[ . 1 . 2]" 1
323 1 21 PRO HG3 1 22 ALA H . . 5.320 4.228 3.930 4.404 . 0 0 "[ . 1 . 2]" 1
324 1 22 ALA HA 1 23 ASN H . . 3.230 3.306 3.174 3.374 0.144 17 0 "[ . 1 . 2]" 1
325 1 23 ASN H 1 23 ASN HB2 . . 3.950 3.382 3.064 4.069 0.119 17 0 "[ . 1 . 2]" 1
326 1 23 ASN H 1 23 ASN QB . . 3.720 2.963 2.842 3.405 . 0 0 "[ . 1 . 2]" 1
327 1 23 ASN H 1 23 ASN HB3 . . 3.950 3.344 2.985 3.776 . 0 0 "[ . 1 . 2]" 1
328 1 23 ASN H 1 24 ARG H . . 4.160 3.643 3.588 3.852 . 0 0 "[ . 1 . 2]" 1
329 1 23 ASN HA 1 24 ARG H . . 3.260 2.167 2.140 2.173 . 0 0 "[ . 1 . 2]" 1
330 1 23 ASN HB2 1 24 ARG H . . 6.000 4.458 3.542 4.632 . 0 0 "[ . 1 . 2]" 1
331 1 23 ASN HB3 1 24 ARG H . . 6.000 4.258 4.019 4.502 . 0 0 "[ . 1 . 2]" 1
332 1 23 ASN QD 1 24 ARG QB . . 6.550 4.901 4.672 5.227 . 0 0 "[ . 1 . 2]" 1
333 1 24 ARG H 1 24 ARG QB . . 3.860 2.610 2.500 2.746 . 0 0 "[ . 1 . 2]" 1
334 1 24 ARG H 1 24 ARG HD2 . . 5.860 4.506 3.960 5.129 . 0 0 "[ . 1 . 2]" 1
335 1 24 ARG H 1 24 ARG QD . . 5.290 4.223 3.782 4.703 . 0 0 "[ . 1 . 2]" 1
336 1 24 ARG H 1 24 ARG HD3 . . 5.860 5.121 4.792 5.467 . 0 0 "[ . 1 . 2]" 1
337 1 24 ARG H 1 24 ARG HG2 . . 3.700 2.664 2.460 2.930 . 0 0 "[ . 1 . 2]" 1
338 1 24 ARG H 1 24 ARG QG . . 3.270 2.607 2.429 2.836 . 0 0 "[ . 1 . 2]" 1
339 1 24 ARG H 1 24 ARG HG3 . . 3.700 3.744 3.667 3.781 0.081 9 0 "[ . 1 . 2]" 1
340 1 24 ARG H 1 25 GLN H . . 5.350 4.437 4.346 4.509 . 0 0 "[ . 1 . 2]" 1
341 1 24 ARG HA 1 24 ARG QD . . 4.650 2.846 2.267 3.523 . 0 0 "[ . 1 . 2]" 1
342 1 24 ARG HA 1 24 ARG QG . . 3.820 2.810 2.688 2.928 . 0 0 "[ . 1 . 2]" 1
343 1 24 ARG HA 1 25 GLN H . . 2.720 2.593 2.466 2.742 0.022 19 0 "[ . 1 . 2]" 1
344 1 24 ARG QD 1 25 GLN H . . 6.880 4.221 3.881 4.522 . 0 0 "[ . 1 . 2]" 1
345 1 24 ARG QG 1 25 GLN H . . 4.850 4.151 3.995 4.294 . 0 0 "[ . 1 . 2]" 1
346 1 24 ARG HG2 1 25 GLN H . . 5.170 4.643 4.535 4.794 . 0 0 "[ . 1 . 2]" 1
347 1 24 ARG HG3 1 25 GLN H . . 5.170 4.681 4.404 4.846 . 0 0 "[ . 1 . 2]" 1
348 1 25 GLN H 1 25 GLN HG2 . . 5.140 4.028 2.820 5.110 . 0 0 "[ . 1 . 2]" 1
349 1 25 GLN H 1 25 GLN QG . . 4.670 3.581 2.766 4.178 . 0 0 "[ . 1 . 2]" 1
350 1 25 GLN H 1 25 GLN HG3 . . 5.140 4.254 3.304 4.734 . 0 0 "[ . 1 . 2]" 1
351 1 25 GLN H 1 26 VAL H . . 3.160 2.569 1.904 3.362 0.202 19 0 "[ . 1 . 2]" 1
352 1 25 GLN HA 1 25 GLN HB2 . . 3.010 2.903 2.449 3.024 0.014 5 0 "[ . 1 . 2]" 1
353 1 25 GLN HA 1 25 GLN HB3 . . 3.010 2.699 2.434 3.022 0.012 13 0 "[ . 1 . 2]" 1
354 1 25 GLN HA 1 25 GLN HG2 . . 4.060 3.037 2.293 3.727 . 0 0 "[ . 1 . 2]" 1
355 1 25 GLN HA 1 25 GLN QG . . 3.710 2.480 2.050 2.935 . 0 0 "[ . 1 . 2]" 1
356 1 25 GLN HA 1 25 GLN HG3 . . 4.060 3.060 2.085 3.826 . 0 0 "[ . 1 . 2]" 1
357 1 25 GLN QB 1 26 VAL H . . 4.450 2.465 1.891 4.038 . 0 0 "[ . 1 . 2]" 1
358 1 25 GLN QB 1 26 VAL QG . . 8.340 2.859 2.140 3.811 . 0 0 "[ . 1 . 2]" 1
359 1 25 GLN QB 2 1 PLM H21 . . 7.020 2.529 1.901 3.644 . 0 0 "[ . 1 . 2]" 1
360 1 25 GLN HB2 1 26 VAL H . . 5.100 2.868 1.930 4.654 . 0 0 "[ . 1 . 2]" 1
361 1 25 GLN HB2 1 26 VAL MG1 . . 10.120 4.949 3.032 6.393 . 0 0 "[ . 1 . 2]" 1
362 1 25 GLN HB2 1 26 VAL MG2 . . 10.120 4.779 3.076 6.751 . 0 0 "[ . 1 . 2]" 1
363 1 25 GLN HB3 1 26 VAL H . . 5.100 2.927 1.997 4.484 . 0 0 "[ . 1 . 2]" 1
364 1 25 GLN HB3 1 26 VAL MG1 . . 10.120 4.295 2.439 5.414 . 0 0 "[ . 1 . 2]" 1
365 1 25 GLN HB3 1 26 VAL MG2 . . 10.120 3.811 2.166 6.173 . 0 0 "[ . 1 . 2]" 1
366 1 25 GLN QG 1 26 VAL H . . 6.300 3.992 3.276 4.860 . 0 0 "[ . 1 . 2]" 1
367 1 26 VAL H 1 26 VAL HB . . 3.370 3.122 2.760 3.481 0.111 12 0 "[ . 1 . 2]" 1
368 1 26 VAL H 1 27 GLU H . . 4.670 3.986 3.453 4.197 . 0 0 "[ . 1 . 2]" 1
369 1 26 VAL HA 1 27 GLU H . . 2.470 2.159 2.141 2.221 . 0 0 "[ . 1 . 2]" 1
370 1 26 VAL HB 2 1 PLM H21 . . 5.310 4.199 3.447 5.035 . 0 0 "[ . 1 . 2]" 1
371 1 26 VAL QG 1 27 GLU H . . 5.210 2.729 2.329 3.136 . 0 0 "[ . 1 . 2]" 1
372 1 26 VAL QG 1 28 HIS H . . 8.570 4.123 3.764 4.584 . 0 0 "[ . 1 . 2]" 1
373 1 26 VAL QG 1 102 LEU QD . . 8.860 4.114 3.069 4.584 . 0 0 "[ . 1 . 2]" 1
374 1 26 VAL QG 2 1 PLM H21 . . 7.310 3.418 2.512 4.150 . 0 0 "[ . 1 . 2]" 1
375 1 26 VAL QG 2 1 PLM H31 . . 8.070 4.905 4.051 5.453 . 0 0 "[ . 1 . 2]" 1
376 1 26 VAL MG1 1 27 GLU H . . 5.510 3.249 2.557 4.148 . 0 0 "[ . 1 . 2]" 1
377 1 26 VAL MG1 1 102 LEU MD1 . . 11.140 4.498 3.152 5.522 . 0 0 "[ . 1 . 2]" 1
378 1 26 VAL MG1 1 102 LEU MD2 . . 11.140 5.953 4.961 7.073 . 0 0 "[ . 1 . 2]" 1
379 1 26 VAL MG2 1 27 GLU H . . 5.510 3.522 2.367 4.318 . 0 0 "[ . 1 . 2]" 1
380 1 26 VAL MG2 1 102 LEU MD1 . . 11.140 5.503 4.613 6.280 . 0 0 "[ . 1 . 2]" 1
381 1 26 VAL MG2 1 102 LEU MD2 . . 11.140 7.155 6.226 7.658 . 0 0 "[ . 1 . 2]" 1
382 1 27 GLU H 1 27 GLU HB2 . . 3.660 2.778 2.230 3.683 0.023 13 0 "[ . 1 . 2]" 1
383 1 27 GLU H 1 27 GLU HB3 . . 3.660 3.618 3.361 3.740 0.080 15 0 "[ . 1 . 2]" 1
384 1 27 GLU H 1 27 GLU HG2 . . 3.950 3.828 3.471 3.963 0.013 17 0 "[ . 1 . 2]" 1
385 1 27 GLU H 1 27 GLU QG . . 3.740 2.702 2.040 3.418 . 0 0 "[ . 1 . 2]" 1
386 1 27 GLU H 1 27 GLU HG3 . . 3.950 2.803 2.055 3.788 . 0 0 "[ . 1 . 2]" 1
387 1 27 GLU H 1 28 HIS H . . 5.350 4.401 4.183 4.504 . 0 0 "[ . 1 . 2]" 1
388 1 27 GLU QB 1 48 LEU QD . . 9.450 3.979 2.613 4.805 . 0 0 "[ . 1 . 2]" 1
389 1 27 GLU QG 1 28 HIS H . . 6.880 4.310 3.680 4.849 . 0 0 "[ . 1 . 2]" 1
390 1 28 HIS H 1 28 HIS QB . . 3.880 2.991 2.799 3.411 . 0 0 "[ . 1 . 2]" 1
391 1 28 HIS H 1 29 VAL H . . 6.000 4.364 4.361 4.374 . 0 0 "[ . 1 . 2]" 1
392 1 28 HIS H 1 48 LEU HG . . 6.000 4.347 2.375 5.516 . 0 0 "[ . 1 . 2]" 1
393 1 28 HIS HA 1 29 VAL H . . 2.690 2.557 2.465 2.598 . 0 0 "[ . 1 . 2]" 1
394 1 28 HIS QB 1 29 VAL H . . 3.630 2.275 2.019 2.555 . 0 0 "[ . 1 . 2]" 1
395 1 28 HIS QB 1 29 VAL QG . . 7.010 4.078 3.870 4.193 . 0 0 "[ . 1 . 2]" 1
396 1 28 HIS QB 1 98 LEU QD . . 8.520 2.975 2.560 3.929 . 0 0 "[ . 1 . 2]" 1
397 1 28 HIS HB2 1 29 VAL H . . 3.840 3.361 2.032 3.845 0.005 6 0 "[ . 1 . 2]" 1
398 1 28 HIS HB2 1 29 VAL MG1 . . 8.130 6.257 5.196 6.725 . 0 0 "[ . 1 . 2]" 1
399 1 28 HIS HB2 1 29 VAL MG2 . . 8.130 5.243 4.227 5.671 . 0 0 "[ . 1 . 2]" 1
400 1 28 HIS HB2 1 98 LEU MD1 . . 10.110 4.233 2.797 5.019 . 0 0 "[ . 1 . 2]" 1
401 1 28 HIS HB2 1 98 LEU MD2 . . 10.110 3.786 2.757 6.135 . 0 0 "[ . 1 . 2]" 1
402 1 28 HIS HB3 1 29 VAL H . . 3.840 2.633 2.116 3.690 . 0 0 "[ . 1 . 2]" 1
403 1 28 HIS HB3 1 29 VAL MG1 . . 8.130 5.606 5.106 6.742 . 0 0 "[ . 1 . 2]" 1
404 1 28 HIS HB3 1 29 VAL MG2 . . 8.130 4.711 4.170 5.588 . 0 0 "[ . 1 . 2]" 1
405 1 28 HIS HB3 1 98 LEU MD1 . . 10.110 4.148 2.863 5.278 . 0 0 "[ . 1 . 2]" 1
406 1 28 HIS HB3 1 98 LEU MD2 . . 10.110 4.055 2.890 5.897 . 0 0 "[ . 1 . 2]" 1
407 1 29 VAL H 1 29 VAL HA . . 2.830 2.922 2.901 2.946 0.116 4 0 "[ . 1 . 2]" 1
408 1 29 VAL H 1 29 VAL HB . . 3.410 2.497 2.373 2.835 . 0 0 "[ . 1 . 2]" 1
409 1 29 VAL H 1 61 GLU H . . 4.670 3.922 3.520 4.217 . 0 0 "[ . 1 . 2]" 1
410 1 29 VAL H 1 61 GLU QG . . 6.050 4.835 4.476 5.295 . 0 0 "[ . 1 . 2]" 1
411 1 29 VAL HA 1 30 TYR H . . 3.260 2.164 2.141 2.208 . 0 0 "[ . 1 . 2]" 1
412 1 29 VAL HB 1 30 TYR H . . 4.240 4.174 3.994 4.292 0.052 14 0 "[ . 1 . 2]" 1
413 1 29 VAL HB 1 60 ALA HA . . 3.120 3.099 2.722 3.200 0.080 7 0 "[ . 1 . 2]" 1
414 1 29 VAL HB 1 61 GLU H . . 3.410 3.118 2.683 3.430 0.020 7 0 "[ . 1 . 2]" 1
415 1 29 VAL QG 1 30 TYR H . . 5.140 2.407 2.128 2.673 . 0 0 "[ . 1 . 2]" 1
416 1 29 VAL QG 1 46 MET H . . 5.880 3.809 3.620 3.959 . 0 0 "[ . 1 . 2]" 1
417 1 29 VAL QG 1 46 MET QB . . 8.440 4.226 3.794 4.593 . 0 0 "[ . 1 . 2]" 1
418 1 29 VAL QG 1 47 ASP HA . . 5.870 3.945 3.491 4.284 . 0 0 "[ . 1 . 2]" 1
419 1 29 VAL QG 1 60 ALA HA . . 5.580 2.561 2.169 3.151 . 0 0 "[ . 1 . 2]" 1
420 1 29 VAL QG 1 61 GLU H . . 6.700 3.462 2.847 3.946 . 0 0 "[ . 1 . 2]" 1
421 1 29 VAL QG 1 61 GLU QG . . 8.520 5.267 4.968 5.549 . 0 0 "[ . 1 . 2]" 1
422 1 29 VAL MG1 1 30 TYR H . . 6.230 2.430 2.137 2.711 . 0 0 "[ . 1 . 2]" 1
423 1 29 VAL MG1 1 46 MET H . . 7.020 3.864 3.657 4.031 . 0 0 "[ . 1 . 2]" 1
424 1 29 VAL MG1 1 61 GLU HG2 . . 10.120 6.798 6.446 7.769 . 0 0 "[ . 1 . 2]" 1
425 1 29 VAL MG1 1 61 GLU HG3 . . 10.120 6.863 6.146 7.424 . 0 0 "[ . 1 . 2]" 1
426 1 29 VAL MG2 1 30 TYR H . . 6.230 3.939 3.698 4.154 . 0 0 "[ . 1 . 2]" 1
427 1 29 VAL MG2 1 46 MET H . . 7.020 5.789 5.752 5.832 . 0 0 "[ . 1 . 2]" 1
428 1 29 VAL MG2 1 61 GLU HG2 . . 10.120 6.543 5.964 7.359 . 0 0 "[ . 1 . 2]" 1
429 1 29 VAL MG2 1 61 GLU HG3 . . 10.120 6.635 5.807 7.444 . 0 0 "[ . 1 . 2]" 1
430 1 30 TYR H 1 30 TYR HB2 . . 3.880 2.688 2.358 3.618 . 0 0 "[ . 1 . 2]" 1
431 1 30 TYR H 1 30 TYR QB . . 3.720 2.576 2.319 3.224 . 0 0 "[ . 1 . 2]" 1
432 1 30 TYR H 1 30 TYR HB3 . . 3.880 3.625 2.656 3.824 . 0 0 "[ . 1 . 2]" 1
433 1 30 TYR H 1 46 MET H . . 4.420 3.378 2.959 3.874 . 0 0 "[ . 1 . 2]" 1
434 1 30 TYR H 1 60 ALA MB . . 5.430 3.678 3.348 4.072 . 0 0 "[ . 1 . 2]" 1
435 1 30 TYR HA 1 31 LYS H . . 2.900 2.377 2.182 2.509 . 0 0 "[ . 1 . 2]" 1
436 1 30 TYR HA 1 60 ALA MB . . 5.150 2.461 1.893 2.837 . 0 0 "[ . 1 . 2]" 1
437 1 30 TYR HA 1 61 GLU QB . . 5.480 4.752 4.554 4.935 . 0 0 "[ . 1 . 2]" 1
438 1 30 TYR HA 1 62 ALA H . . 3.120 3.053 2.470 3.183 0.063 17 0 "[ . 1 . 2]" 1
439 1 30 TYR HA 1 62 ALA MB . . 4.750 3.203 2.847 3.548 . 0 0 "[ . 1 . 2]" 1
440 1 30 TYR HA 1 64 LEU QD . . 7.920 3.995 3.393 5.088 . 0 0 "[ . 1 . 2]" 1
441 1 30 TYR QB 1 32 PHE QD . . 9.010 4.181 3.418 5.741 . 0 0 "[ . 1 . 2]" 1
442 1 30 TYR QB 1 32 PHE QE . . 9.010 4.853 4.213 6.352 . 0 0 "[ . 1 . 2]" 1
443 1 30 TYR QB 1 62 ALA H . . 6.630 4.788 3.195 5.296 . 0 0 "[ . 1 . 2]" 1
444 1 30 TYR QB 1 64 LEU QD . . 8.840 2.701 2.064 4.810 . 0 0 "[ . 1 . 2]" 1
445 1 30 TYR QD 1 46 MET ME . . 7.380 3.237 2.240 4.063 . 0 0 "[ . 1 . 2]" 1
446 1 30 TYR QD 1 62 ALA MB . . 8.390 2.553 1.939 3.440 . 0 0 "[ . 1 . 2]" 1
447 1 30 TYR QD 1 64 LEU QD . . 9.690 2.784 1.934 3.694 . 0 0 "[ . 1 . 2]" 1
448 1 30 TYR QE 1 62 ALA MB . . 9.150 3.087 1.894 5.138 . 0 0 "[ . 1 . 2]" 1
449 1 31 LYS H 1 31 LYS HB2 . . 4.090 3.037 2.663 3.478 . 0 0 "[ . 1 . 2]" 1
450 1 31 LYS H 1 31 LYS QB . . 3.890 2.522 2.330 2.644 . 0 0 "[ . 1 . 2]" 1
451 1 31 LYS H 1 31 LYS HB3 . . 4.090 2.757 2.409 3.250 . 0 0 "[ . 1 . 2]" 1
452 1 31 LYS H 1 31 LYS QE . . 6.090 4.906 4.474 5.278 . 0 0 "[ . 1 . 2]" 1
453 1 31 LYS H 1 60 ALA MB . . 4.530 2.946 2.371 3.291 . 0 0 "[ . 1 . 2]" 1
454 1 31 LYS H 1 62 ALA H . . 4.380 4.154 3.637 4.397 0.017 11 0 "[ . 1 . 2]" 1
455 1 31 LYS H 1 62 ALA MB . . 7.020 3.827 3.447 4.331 . 0 0 "[ . 1 . 2]" 1
456 1 31 LYS H 1 63 THR MG . . 7.020 4.752 4.222 5.174 . 0 0 "[ . 1 . 2]" 1
457 1 31 LYS H 1 64 LEU H . . 4.490 3.593 3.268 4.262 . 0 0 "[ . 1 . 2]" 1
458 1 31 LYS H 1 64 LEU QD . . 8.240 2.987 2.147 4.413 . 0 0 "[ . 1 . 2]" 1
459 1 31 LYS HA 1 31 LYS HE2 . . 6.000 4.659 3.485 5.558 . 0 0 "[ . 1 . 2]" 1
460 1 31 LYS HA 1 31 LYS HE3 . . 6.000 4.682 1.988 5.857 . 0 0 "[ . 1 . 2]" 1
461 1 31 LYS HA 1 31 LYS QG . . 3.820 2.422 2.220 2.641 . 0 0 "[ . 1 . 2]" 1
462 1 31 LYS HA 1 32 PHE H . . 2.720 2.193 2.161 2.267 . 0 0 "[ . 1 . 2]" 1
463 1 31 LYS HA 1 32 PHE QD . . 8.130 4.927 4.305 5.411 . 0 0 "[ . 1 . 2]" 1
464 1 31 LYS HA 1 45 VAL HA . . 2.830 2.647 2.260 2.908 0.078 7 0 "[ . 1 . 2]" 1
465 1 31 LYS HA 1 45 VAL QG . . 8.570 3.219 2.634 3.524 . 0 0 "[ . 1 . 2]" 1
466 1 31 LYS HA 1 46 MET H . . 3.770 3.481 2.999 3.814 0.044 7 0 "[ . 1 . 2]" 1
467 1 31 LYS QB 1 31 LYS QE . . 4.490 2.353 1.921 2.817 . 0 0 "[ . 1 . 2]" 1
468 1 31 LYS QB 1 45 VAL QG . . 6.750 3.970 3.397 4.337 . 0 0 "[ . 1 . 2]" 1
469 1 31 LYS QB 1 46 MET H . . 6.880 5.138 4.593 5.549 . 0 0 "[ . 1 . 2]" 1
470 1 31 LYS QB 1 64 LEU H . . 5.910 3.052 2.560 3.880 . 0 0 "[ . 1 . 2]" 1
471 1 31 LYS HB2 1 31 LYS HE2 . . 5.240 3.194 1.940 4.097 . 0 0 "[ . 1 . 2]" 1
472 1 31 LYS HB2 1 31 LYS HE3 . . 5.240 3.478 2.005 4.445 . 0 0 "[ . 1 . 2]" 1
473 1 31 LYS HB2 1 32 PHE H . . 4.990 4.147 3.905 4.422 . 0 0 "[ . 1 . 2]" 1
474 1 31 LYS HB2 1 45 VAL MG1 . . 8.460 5.230 3.548 5.930 . 0 0 "[ . 1 . 2]" 1
475 1 31 LYS HB2 1 45 VAL MG2 . . 8.460 4.589 3.597 6.617 . 0 0 "[ . 1 . 2]" 1
476 1 31 LYS HB2 1 63 THR MG . . 7.020 4.290 3.806 4.939 . 0 0 "[ . 1 . 2]" 1
477 1 31 LYS HB3 1 31 LYS HE2 . . 5.240 3.323 2.029 5.094 . 0 0 "[ . 1 . 2]" 1
478 1 31 LYS HB3 1 31 LYS HE3 . . 5.240 3.404 2.594 4.732 . 0 0 "[ . 1 . 2]" 1
479 1 31 LYS HB3 1 32 PHE H . . 4.990 3.981 3.636 4.304 . 0 0 "[ . 1 . 2]" 1
480 1 31 LYS HB3 1 45 VAL MG1 . . 8.460 6.335 4.658 7.125 . 0 0 "[ . 1 . 2]" 1
481 1 31 LYS HB3 1 45 VAL MG2 . . 8.460 5.561 4.957 7.075 . 0 0 "[ . 1 . 2]" 1
482 1 31 LYS HB3 1 63 THR MG . . 7.020 2.995 2.375 3.727 . 0 0 "[ . 1 . 2]" 1
483 1 31 LYS QE 1 45 VAL QG . . 9.450 4.400 1.814 5.868 . 0 0 "[ . 1 . 2]" 1
484 1 31 LYS QE 1 63 THR MG . . 7.900 3.153 1.962 5.452 . 0 0 "[ . 1 . 2]" 1
485 1 31 LYS QG 1 32 PHE H . . 3.600 2.419 2.109 2.950 . 0 0 "[ . 1 . 2]" 1
486 1 31 LYS HG2 1 32 PHE H . . 3.880 3.145 2.119 3.907 0.027 3 0 "[ . 1 . 2]" 1
487 1 31 LYS HG2 1 44 TRP H . . 6.000 4.527 3.062 5.572 . 0 0 "[ . 1 . 2]" 1
488 1 31 LYS HG3 1 32 PHE H . . 3.880 2.937 2.133 3.884 0.004 15 0 "[ . 1 . 2]" 1
489 1 31 LYS HG3 1 44 TRP H . . 6.000 4.291 3.425 5.606 . 0 0 "[ . 1 . 2]" 1
490 1 32 PHE H 1 44 TRP H . . 3.950 3.272 2.931 3.688 . 0 0 "[ . 1 . 2]" 1
491 1 32 PHE H 1 44 TRP HD1 . . 6.000 5.936 5.387 6.054 0.054 11 0 "[ . 1 . 2]" 1
492 1 32 PHE H 1 45 VAL HA . . 4.520 3.108 2.657 3.406 . 0 0 "[ . 1 . 2]" 1
493 1 32 PHE H 1 45 VAL QG . . 7.160 3.841 3.426 4.390 . 0 0 "[ . 1 . 2]" 1
494 1 32 PHE HA 1 33 ARG H . . 2.620 2.164 2.139 2.298 . 0 0 "[ . 1 . 2]" 1
495 1 32 PHE HA 1 64 LEU H . . 3.620 3.302 2.642 3.522 . 0 0 "[ . 1 . 2]" 1
496 1 32 PHE HA 1 64 LEU QB . . 5.440 2.859 2.570 3.221 . 0 0 "[ . 1 . 2]" 1
497 1 32 PHE HA 1 64 LEU QD . . 8.570 3.866 3.195 4.310 . 0 0 "[ . 1 . 2]" 1
498 1 32 PHE QB 1 33 ARG QB . . 7.760 5.063 4.746 5.301 . 0 0 "[ . 1 . 2]" 1
499 1 32 PHE QB 1 34 ILE MD . . 6.090 3.289 3.052 3.600 . 0 0 "[ . 1 . 2]" 1
500 1 32 PHE QB 1 44 TRP H . . 5.790 3.804 3.294 4.090 . 0 0 "[ . 1 . 2]" 1
501 1 32 PHE QB 1 44 TRP HD1 . . 6.880 4.126 3.840 4.492 . 0 0 "[ . 1 . 2]" 1
502 1 32 PHE HB2 1 33 ARG H . . 6.000 4.480 4.183 4.591 . 0 0 "[ . 1 . 2]" 1
503 1 32 PHE HB2 1 34 ILE MD . . 6.520 4.819 4.626 5.114 . 0 0 "[ . 1 . 2]" 1
504 1 32 PHE HB2 1 44 TRP H . . 6.000 4.490 4.025 4.987 . 0 0 "[ . 1 . 2]" 1
505 1 32 PHE HB3 1 33 ARG H . . 6.000 3.613 3.071 3.836 . 0 0 "[ . 1 . 2]" 1
506 1 32 PHE HB3 1 34 ILE MD . . 6.520 3.348 3.094 3.679 . 0 0 "[ . 1 . 2]" 1
507 1 32 PHE HB3 1 44 TRP H . . 6.000 4.111 3.491 4.402 . 0 0 "[ . 1 . 2]" 1
508 1 32 PHE QD 1 33 ARG QB . . 9.010 4.875 3.888 5.872 . 0 0 "[ . 1 . 2]" 1
509 1 32 PHE QD 1 34 ILE HA . . 8.130 5.371 4.862 5.871 . 0 0 "[ . 1 . 2]" 1
510 1 32 PHE QD 1 34 ILE QG . . 9.010 4.559 3.640 5.137 . 0 0 "[ . 1 . 2]" 1
511 1 32 PHE QD 1 63 THR MG . . 9.150 5.789 5.368 6.212 . 0 0 "[ . 1 . 2]" 1
512 1 32 PHE QD 1 64 LEU H . . 8.130 4.570 3.756 5.087 . 0 0 "[ . 1 . 2]" 1
513 1 32 PHE QD 1 64 LEU MD1 . . 9.150 3.545 2.365 5.391 . 0 0 "[ . 1 . 2]" 1
514 1 32 PHE QD 1 64 LEU MD2 . . 9.150 4.284 3.669 4.760 . 0 0 "[ . 1 . 2]" 1
515 1 32 PHE QE 1 34 ILE MD . . 9.150 4.280 3.539 4.839 . 0 0 "[ . 1 . 2]" 1
516 1 32 PHE QE 1 46 MET ME . . 7.490 2.154 1.898 3.086 . 0 0 "[ . 1 . 2]" 1
517 1 32 PHE QE 1 64 LEU MD1 . . 9.150 3.197 2.059 4.932 . 0 0 "[ . 1 . 2]" 1
518 1 32 PHE QE 1 64 LEU QD . . 8.750 2.694 1.963 3.656 . 0 0 "[ . 1 . 2]" 1
519 1 32 PHE QE 1 64 LEU MD2 . . 9.150 3.086 2.153 3.904 . 0 0 "[ . 1 . 2]" 1
520 1 32 PHE QE 1 70 ILE MG . . 9.150 4.842 4.535 5.477 . 0 0 "[ . 1 . 2]" 1
521 1 32 PHE HZ 1 46 MET ME . . 4.460 3.671 3.516 3.858 . 0 0 "[ . 1 . 2]" 1
522 1 32 PHE HZ 1 64 LEU QB . . 6.880 3.777 3.243 4.111 . 0 0 "[ . 1 . 2]" 1
523 1 32 PHE HZ 1 64 LEU QD . . 8.570 3.193 2.336 4.218 . 0 0 "[ . 1 . 2]" 1
524 1 32 PHE HZ 1 70 ILE MG . . 7.020 5.812 5.759 5.857 . 0 0 "[ . 1 . 2]" 1
525 1 33 ARG H 1 33 ARG HB2 . . 4.020 2.471 2.203 3.182 . 0 0 "[ . 1 . 2]" 1
526 1 33 ARG H 1 33 ARG QB . . 3.740 2.354 2.178 2.617 . 0 0 "[ . 1 . 2]" 1
527 1 33 ARG H 1 33 ARG HB3 . . 4.020 3.369 2.343 3.703 . 0 0 "[ . 1 . 2]" 1
528 1 33 ARG H 1 33 ARG HG2 . . 5.170 4.221 2.771 4.916 . 0 0 "[ . 1 . 2]" 1
529 1 33 ARG H 1 33 ARG QG . . 4.550 3.473 2.417 4.105 . 0 0 "[ . 1 . 2]" 1
530 1 33 ARG H 1 33 ARG HG3 . . 5.170 3.783 2.564 4.513 . 0 0 "[ . 1 . 2]" 1
531 1 33 ARG H 1 34 ILE H . . 5.860 4.448 4.301 4.517 . 0 0 "[ . 1 . 2]" 1
532 1 33 ARG H 1 65 THR HA . . 3.370 2.531 2.199 3.322 . 0 0 "[ . 1 . 2]" 1
533 1 33 ARG H 1 65 THR MG . . 5.870 3.928 3.515 5.012 . 0 0 "[ . 1 . 2]" 1
534 1 33 ARG H 1 66 MET H . . 4.200 3.480 3.170 4.223 0.023 14 0 "[ . 1 . 2]" 1
535 1 33 ARG HA 1 34 ILE H . . 2.470 2.175 2.150 2.206 . 0 0 "[ . 1 . 2]" 1
536 1 33 ARG HA 1 40 VAL QG . . 8.570 3.757 3.202 5.027 . 0 0 "[ . 1 . 2]" 1
537 1 33 ARG HA 1 43 ASN HA . . 2.830 2.714 2.446 2.895 0.065 8 0 "[ . 1 . 2]" 1
538 1 33 ARG HA 1 43 ASN HB2 . . 5.210 5.165 4.890 5.280 0.070 3 0 "[ . 1 . 2]" 1
539 1 33 ARG HA 1 43 ASN QB . . 5.060 4.184 3.787 4.621 . 0 0 "[ . 1 . 2]" 1
540 1 33 ARG HA 1 43 ASN HB3 . . 5.210 4.473 3.883 5.223 0.013 7 0 "[ . 1 . 2]" 1
541 1 33 ARG HA 1 44 TRP H . . 4.780 3.241 2.776 3.530 . 0 0 "[ . 1 . 2]" 1
542 1 33 ARG QB 1 34 ILE MD . . 7.900 4.402 4.137 4.663 . 0 0 "[ . 1 . 2]" 1
543 1 33 ARG QB 1 65 THR HA . . 4.230 2.148 1.845 2.729 . 0 0 "[ . 1 . 2]" 1
544 1 33 ARG QB 1 65 THR HB . . 5.550 3.913 2.738 4.373 . 0 0 "[ . 1 . 2]" 1
545 1 33 ARG QB 1 65 THR MG . . 6.490 2.108 1.812 3.824 . 0 0 "[ . 1 . 2]" 1
546 1 33 ARG QB 1 66 MET H . . 5.080 3.181 2.506 3.678 . 0 0 "[ . 1 . 2]" 1
547 1 33 ARG HB2 1 34 ILE H . . 6.000 4.280 3.980 4.481 . 0 0 "[ . 1 . 2]" 1
548 1 33 ARG HB2 1 65 THR HA . . 4.920 2.366 1.960 3.828 . 0 0 "[ . 1 . 2]" 1
549 1 33 ARG HB3 1 34 ILE H . . 6.000 3.407 2.997 4.240 . 0 0 "[ . 1 . 2]" 1
550 1 33 ARG HB3 1 65 THR HA . . 4.920 3.135 2.003 3.863 . 0 0 "[ . 1 . 2]" 1
551 1 33 ARG QD 1 40 VAL QG . . 6.630 3.050 1.719 4.053 . 0 0 "[ . 1 . 2]" 1
552 1 33 ARG QD 1 65 THR MG . . 6.890 2.744 1.861 4.668 . 0 0 "[ . 1 . 2]" 1
553 1 33 ARG HD2 1 40 VAL MG1 . . 8.780 4.647 1.953 6.320 . 0 0 "[ . 1 . 2]" 1
554 1 33 ARG HD2 1 40 VAL MG2 . . 8.780 3.875 1.957 5.011 . 0 0 "[ . 1 . 2]" 1
555 1 33 ARG HD2 1 65 THR MG . . 7.020 3.561 2.026 4.999 . 0 0 "[ . 1 . 2]" 1
556 1 33 ARG HD3 1 40 VAL MG1 . . 8.780 4.535 1.959 6.788 . 0 0 "[ . 1 . 2]" 1
557 1 33 ARG HD3 1 40 VAL MG2 . . 8.780 3.781 1.953 4.967 . 0 0 "[ . 1 . 2]" 1
558 1 33 ARG HD3 1 65 THR MG . . 7.020 3.150 1.968 5.596 . 0 0 "[ . 1 . 2]" 1
559 1 33 ARG QG 1 34 ILE H . . 5.530 3.485 2.357 4.529 . 0 0 "[ . 1 . 2]" 1
560 1 33 ARG QG 1 40 VAL QG . . 9.450 2.710 1.958 3.724 . 0 0 "[ . 1 . 2]" 1
561 1 33 ARG HG2 1 34 ILE H . . 6.000 3.902 3.069 4.862 . 0 0 "[ . 1 . 2]" 1
562 1 33 ARG HG3 1 34 ILE H . . 6.000 4.243 2.375 5.409 . 0 0 "[ . 1 . 2]" 1
563 1 34 ILE H 1 34 ILE HB . . 3.340 2.633 2.574 2.737 . 0 0 "[ . 1 . 2]" 1
564 1 34 ILE H 1 34 ILE HG12 . . 4.780 2.728 2.541 2.886 . 0 0 "[ . 1 . 2]" 1
565 1 34 ILE H 1 34 ILE QG . . 4.200 2.692 2.514 2.838 . 0 0 "[ . 1 . 2]" 1
566 1 34 ILE H 1 34 ILE HG13 . . 4.780 4.127 3.996 4.237 . 0 0 "[ . 1 . 2]" 1
567 1 34 ILE H 1 42 LYS H . . 4.160 3.651 3.338 4.185 0.025 16 0 "[ . 1 . 2]" 1
568 1 34 ILE H 1 43 ASN HA . . 3.700 3.258 2.844 3.707 0.007 9 0 "[ . 1 . 2]" 1
569 1 34 ILE HA 1 34 ILE MD . . 4.680 2.012 1.952 2.102 . 0 0 "[ . 1 . 2]" 1
570 1 34 ILE HA 1 35 THR H . . 2.870 2.212 2.141 2.251 . 0 0 "[ . 1 . 2]" 1
571 1 34 ILE HA 1 44 TRP HE3 . . 6.000 5.246 4.915 5.694 . 0 0 "[ . 1 . 2]" 1
572 1 34 ILE HB 1 35 THR H . . 6.000 4.370 4.042 4.487 . 0 0 "[ . 1 . 2]" 1
573 1 34 ILE HB 1 42 LYS H . . 6.000 3.488 2.962 4.399 . 0 0 "[ . 1 . 2]" 1
574 1 34 ILE HB 1 42 LYS QB . . 5.120 3.252 2.823 4.015 . 0 0 "[ . 1 . 2]" 1
575 1 34 ILE MD 1 44 TRP HD1 . . 7.020 5.620 5.387 5.759 . 0 0 "[ . 1 . 2]" 1
576 1 34 ILE MD 1 68 ASP HA . . 4.460 3.430 3.354 3.593 . 0 0 "[ . 1 . 2]" 1
577 1 34 ILE MD 1 68 ASP QB . . 7.900 4.767 4.655 4.924 . 0 0 "[ . 1 . 2]" 1
578 1 34 ILE QG 1 42 LYS QB . . 5.490 3.885 3.194 4.448 . 0 0 "[ . 1 . 2]" 1
579 1 34 ILE QG 1 44 TRP H . . 6.880 4.513 4.206 4.905 . 0 0 "[ . 1 . 2]" 1
580 1 34 ILE QG 1 44 TRP HD1 . . 6.880 5.414 4.951 6.010 . 0 0 "[ . 1 . 2]" 1
581 1 34 ILE HG12 1 35 THR H . . 6.000 5.256 5.144 5.366 . 0 0 "[ . 1 . 2]" 1
582 1 34 ILE HG12 1 42 LYS HB2 . . 6.820 5.522 4.184 6.193 . 0 0 "[ . 1 . 2]" 1
583 1 34 ILE HG12 1 42 LYS HB3 . . 6.820 4.499 3.555 5.286 . 0 0 "[ . 1 . 2]" 1
584 1 34 ILE HG12 1 44 TRP HE3 . . 6.000 2.275 2.035 2.605 . 0 0 "[ . 1 . 2]" 1
585 1 34 ILE HG12 1 44 TRP HH2 . . 6.000 5.276 4.970 5.526 . 0 0 "[ . 1 . 2]" 1
586 1 34 ILE HG12 1 44 TRP HZ2 . . 6.000 6.053 6.014 6.108 0.108 14 0 "[ . 1 . 2]" 1
587 1 34 ILE HG12 1 44 TRP HZ3 . . 6.000 3.523 3.001 3.966 . 0 0 "[ . 1 . 2]" 1
588 1 34 ILE HG13 1 35 THR H . . 6.000 5.677 5.193 5.823 . 0 0 "[ . 1 . 2]" 1
589 1 34 ILE HG13 1 42 LYS HB2 . . 6.820 5.482 4.592 6.068 . 0 0 "[ . 1 . 2]" 1
590 1 34 ILE HG13 1 42 LYS HB3 . . 6.820 4.716 4.217 5.552 . 0 0 "[ . 1 . 2]" 1
591 1 34 ILE HG13 1 44 TRP HE3 . . 6.000 3.062 2.812 3.481 . 0 0 "[ . 1 . 2]" 1
592 1 34 ILE HG13 1 44 TRP HH2 . . 6.000 4.282 3.816 4.792 . 0 0 "[ . 1 . 2]" 1
593 1 34 ILE HG13 1 44 TRP HZ2 . . 6.000 5.131 4.733 5.526 . 0 0 "[ . 1 . 2]" 1
594 1 34 ILE HG13 1 44 TRP HZ3 . . 6.000 3.164 2.513 3.766 . 0 0 "[ . 1 . 2]" 1
595 1 34 ILE MG 1 35 THR H . . 4.390 3.145 2.445 3.442 . 0 0 "[ . 1 . 2]" 1
596 1 34 ILE MG 1 44 TRP HE3 . . 7.020 4.343 3.923 4.922 . 0 0 "[ . 1 . 2]" 1
597 1 34 ILE MG 1 44 TRP HZ3 . . 7.020 3.554 3.174 4.243 . 0 0 "[ . 1 . 2]" 1
598 1 34 ILE MG 1 68 ASP H . . 5.790 3.028 2.575 3.425 . 0 0 "[ . 1 . 2]" 1
599 1 34 ILE MG 1 68 ASP HA . . 4.250 2.854 2.264 3.172 . 0 0 "[ . 1 . 2]" 1
600 1 34 ILE MG 1 68 ASP HB2 . . 5.900 3.207 2.745 3.545 . 0 0 "[ . 1 . 2]" 1
601 1 34 ILE MG 1 68 ASP QB . . 5.360 3.123 2.674 3.442 . 0 0 "[ . 1 . 2]" 1
602 1 34 ILE MG 1 68 ASP HB3 . . 5.900 4.310 3.692 4.659 . 0 0 "[ . 1 . 2]" 1
603 1 34 ILE MG 1 69 ASP H . . 7.020 5.198 4.561 5.464 . 0 0 "[ . 1 . 2]" 1
604 1 35 THR H 1 35 THR MG . . 4.460 2.850 2.321 3.842 . 0 0 "[ . 1 . 2]" 1
605 1 35 THR H 1 36 GLN H . . 5.750 4.528 4.418 4.586 . 0 0 "[ . 1 . 2]" 1
606 1 35 THR H 1 67 GLU HA . . 3.520 2.550 2.065 3.589 0.069 14 0 "[ . 1 . 2]" 1
607 1 35 THR H 1 68 ASP H . . 6.000 4.003 2.767 5.281 . 0 0 "[ . 1 . 2]" 1
608 1 35 THR HA 1 35 THR HB . . 2.830 2.540 2.339 2.979 0.149 3 0 "[ . 1 . 2]" 1
609 1 35 THR HA 1 36 GLN H . . 2.650 2.285 2.188 2.483 . 0 0 "[ . 1 . 2]" 1
610 1 35 THR HA 1 39 LYS H . . 6.000 4.987 4.381 5.507 . 0 0 "[ . 1 . 2]" 1
611 1 35 THR HA 1 40 VAL HA . . 2.830 2.086 1.891 2.936 0.106 16 0 "[ . 1 . 2]" 1
612 1 35 THR HA 1 40 VAL QG . . 8.570 3.320 2.996 4.038 . 0 0 "[ . 1 . 2]" 1
613 1 35 THR HA 1 41 VAL H . . 2.900 2.553 2.064 2.894 . 0 0 "[ . 1 . 2]" 1
614 1 35 THR HA 1 41 VAL QG . . 6.630 2.992 1.984 3.766 . 0 0 "[ . 1 . 2]" 1
615 1 35 THR HA 1 42 LYS H . . 5.140 4.203 3.638 4.588 . 0 0 "[ . 1 . 2]" 1
616 1 35 THR HB 1 36 GLN H . . 3.010 2.859 2.356 3.179 0.169 3 0 "[ . 1 . 2]" 1
617 1 35 THR HB 1 38 GLY H . . 3.880 3.726 3.285 3.973 0.093 16 0 "[ . 1 . 2]" 1
618 1 35 THR HB 1 39 LYS H . . 4.060 3.843 3.127 4.267 0.207 16 0 "[ . 1 . 2]" 1
619 1 35 THR HB 1 40 VAL HA . . 6.000 3.407 2.347 4.516 . 0 0 "[ . 1 . 2]" 1
620 1 35 THR HB 1 41 VAL H . . 6.000 4.857 4.205 5.533 . 0 0 "[ . 1 . 2]" 1
621 1 35 THR MG 1 36 GLN H . . 4.680 3.589 1.871 3.926 . 0 0 "[ . 1 . 2]" 1
622 1 35 THR MG 1 36 GLN HG2 . . 7.020 5.607 5.296 5.799 . 0 0 "[ . 1 . 2]" 1
623 1 35 THR MG 1 36 GLN QG . . 6.510 4.831 4.724 4.939 . 0 0 "[ . 1 . 2]" 1
624 1 35 THR MG 1 36 GLN HG3 . . 7.020 5.305 5.012 5.687 . 0 0 "[ . 1 . 2]" 1
625 1 35 THR MG 1 39 LYS H . . 7.020 4.245 2.180 5.007 . 0 0 "[ . 1 . 2]" 1
626 1 35 THR MG 1 40 VAL H . . 5.000 2.944 2.659 3.479 . 0 0 "[ . 1 . 2]" 1
627 1 35 THR MG 1 40 VAL HA . . 4.610 1.973 1.843 2.184 . 0 0 "[ . 1 . 2]" 1
628 1 35 THR MG 1 41 VAL H . . 4.680 3.469 2.870 3.775 . 0 0 "[ . 1 . 2]" 1
629 1 36 GLN H 1 36 GLN HB2 . . 4.060 3.455 2.855 3.803 . 0 0 "[ . 1 . 2]" 1
630 1 36 GLN H 1 36 GLN HB3 . . 4.060 3.430 2.533 3.968 . 0 0 "[ . 1 . 2]" 1
631 1 36 GLN H 1 36 GLN QG . . 5.040 2.468 1.917 3.839 . 0 0 "[ . 1 . 2]" 1
632 1 36 GLN H 1 37 GLY H . . 6.000 3.904 3.595 4.112 . 0 0 "[ . 1 . 2]" 1
633 1 36 GLN H 1 38 GLY H . . 4.670 3.605 3.209 4.038 . 0 0 "[ . 1 . 2]" 1
634 1 36 GLN H 1 39 LYS H . . 3.660 3.553 2.850 3.712 0.052 12 0 "[ . 1 . 2]" 1
635 1 36 GLN H 1 40 VAL HA . . 6.000 3.611 3.332 4.096 . 0 0 "[ . 1 . 2]" 1
636 1 36 GLN H 1 41 VAL H . . 4.880 3.882 3.053 4.482 . 0 0 "[ . 1 . 2]" 1
637 1 36 GLN H 1 41 VAL MG1 . . 5.180 3.463 2.192 4.134 . 0 0 "[ . 1 . 2]" 1
638 1 36 GLN H 1 41 VAL QG . . 4.850 3.176 2.085 3.742 . 0 0 "[ . 1 . 2]" 1
639 1 36 GLN H 1 41 VAL MG2 . . 5.180 3.757 2.488 4.337 . 0 0 "[ . 1 . 2]" 1
640 1 36 GLN HA 1 37 GLY H . . 3.190 2.196 2.154 2.211 . 0 0 "[ . 1 . 2]" 1
641 1 36 GLN HA 1 38 GLY H . . 6.000 4.159 3.582 4.675 . 0 0 "[ . 1 . 2]" 1
642 1 36 GLN QB 1 41 VAL QG . . 7.750 2.745 1.859 3.238 . 0 0 "[ . 1 . 2]" 1
643 1 36 GLN HB2 1 37 GLY H . . 6.000 4.078 3.886 4.380 . 0 0 "[ . 1 . 2]" 1
644 1 36 GLN HB2 1 41 VAL MG1 . . 8.780 3.844 1.996 4.897 . 0 0 "[ . 1 . 2]" 1
645 1 36 GLN HB2 1 41 VAL MG2 . . 8.780 3.788 2.304 4.831 . 0 0 "[ . 1 . 2]" 1
646 1 36 GLN HB3 1 37 GLY H . . 6.000 4.234 3.672 4.590 . 0 0 "[ . 1 . 2]" 1
647 1 36 GLN HB3 1 41 VAL MG1 . . 8.780 3.660 1.985 4.448 . 0 0 "[ . 1 . 2]" 1
648 1 36 GLN HB3 1 41 VAL MG2 . . 8.780 3.535 2.105 4.685 . 0 0 "[ . 1 . 2]" 1
649 1 36 GLN QE 1 41 VAL QG . . 9.360 3.166 1.844 4.525 . 0 0 "[ . 1 . 2]" 1
650 1 36 GLN QG 1 37 GLY H . . 6.880 4.383 3.369 4.592 . 0 0 "[ . 1 . 2]" 1
651 1 36 GLN QG 1 41 VAL QG . . 8.520 1.997 1.674 3.017 . 0 0 "[ . 1 . 2]" 1
652 1 36 GLN HG2 1 41 VAL MG1 . . 10.120 3.023 1.934 5.034 . 0 0 "[ . 1 . 2]" 1
653 1 36 GLN HG2 1 41 VAL MG2 . . 10.120 2.876 2.016 4.666 . 0 0 "[ . 1 . 2]" 1
654 1 36 GLN HG3 1 41 VAL MG1 . . 10.120 3.047 1.857 5.300 . 0 0 "[ . 1 . 2]" 1
655 1 36 GLN HG3 1 41 VAL MG2 . . 10.120 3.309 1.875 4.791 . 0 0 "[ . 1 . 2]" 1
656 1 37 GLY H 1 38 GLY H . . 3.520 2.983 2.033 3.527 0.007 8 0 "[ . 1 . 2]" 1
657 1 37 GLY QA 1 39 LYS H . . 5.330 3.812 3.454 4.030 . 0 0 "[ . 1 . 2]" 1
658 1 38 GLY H 1 39 LYS H . . 3.770 1.960 1.541 2.608 . 0 0 "[ . 1 . 2]" 1
659 1 39 LYS H 1 39 LYS HB2 . . 3.800 2.574 2.231 3.700 . 0 0 "[ . 1 . 2]" 1
660 1 39 LYS H 1 39 LYS QB . . 3.420 2.443 2.197 2.695 . 0 0 "[ . 1 . 2]" 1
661 1 39 LYS H 1 39 LYS HB3 . . 3.800 3.253 2.768 3.726 . 0 0 "[ . 1 . 2]" 1
662 1 39 LYS H 1 40 VAL H . . 6.000 4.472 4.288 4.562 . 0 0 "[ . 1 . 2]" 1
663 1 39 LYS HA 1 40 VAL H . . 2.400 2.285 2.144 2.385 . 0 0 "[ . 1 . 2]" 1
664 1 39 LYS HA 1 40 VAL QG . . 8.570 3.692 3.361 4.026 . 0 0 "[ . 1 . 2]" 1
665 1 39 LYS QG 1 40 VAL H . . 6.020 2.903 2.266 4.137 . 0 0 "[ . 1 . 2]" 1
666 1 40 VAL H 1 40 VAL HB . . 2.900 2.567 2.395 2.714 . 0 0 "[ . 1 . 2]" 1
667 1 40 VAL H 1 40 VAL QG . . 4.210 2.123 1.908 2.326 . 0 0 "[ . 1 . 2]" 1
668 1 40 VAL H 1 41 VAL H . . 6.000 4.586 4.451 4.634 . 0 0 "[ . 1 . 2]" 1
669 1 40 VAL HA 1 41 VAL H . . 2.540 2.212 2.141 2.284 . 0 0 "[ . 1 . 2]" 1
670 1 40 VAL HA 1 42 LYS H . . 3.770 3.784 3.672 3.880 0.110 6 0 "[ . 1 . 2]" 1
671 1 40 VAL HB 1 41 VAL H . . 5.140 4.027 3.745 4.227 . 0 0 "[ . 1 . 2]" 1
672 1 40 VAL QG 1 41 VAL H . . 5.740 2.276 1.925 2.779 . 0 0 "[ . 1 . 2]" 1
673 1 40 VAL QG 1 41 VAL HA . . 8.570 3.594 3.305 3.949 . 0 0 "[ . 1 . 2]" 1
674 1 40 VAL QG 1 42 LYS H . . 6.520 2.247 1.991 2.906 . 0 0 "[ . 1 . 2]" 1
675 1 40 VAL QG 1 43 ASN QD . . 7.240 3.418 2.500 4.675 . 0 0 "[ . 1 . 2]" 1
676 1 40 VAL MG1 1 41 VAL H . . 6.010 3.030 1.930 4.069 . 0 0 "[ . 1 . 2]" 1
677 1 40 VAL MG1 1 43 ASN HD21 . . 8.970 4.453 2.921 7.360 . 0 0 "[ . 1 . 2]" 1
678 1 40 VAL MG1 1 43 ASN HD22 . . 8.970 4.781 2.893 6.919 . 0 0 "[ . 1 . 2]" 1
679 1 40 VAL MG2 1 41 VAL H . . 6.010 3.157 2.066 4.155 . 0 0 "[ . 1 . 2]" 1
680 1 40 VAL MG2 1 43 ASN HD21 . . 8.970 4.714 2.945 6.031 . 0 0 "[ . 1 . 2]" 1
681 1 40 VAL MG2 1 43 ASN HD22 . . 8.970 5.145 2.980 7.401 . 0 0 "[ . 1 . 2]" 1
682 1 41 VAL H 1 42 LYS H . . 3.050 1.962 1.794 2.328 . 0 0 "[ . 1 . 2]" 1
683 1 41 VAL HA 1 41 VAL HB . . 2.580 2.561 2.465 2.626 0.046 3 0 "[ . 1 . 2]" 1
684 1 41 VAL HB 1 42 LYS H . . 4.270 3.873 3.615 4.122 . 0 0 "[ . 1 . 2]" 1
685 1 41 VAL QG 1 42 LYS H . . 5.650 2.227 1.952 2.733 . 0 0 "[ . 1 . 2]" 1
686 1 41 VAL QG 1 42 LYS HA . . 7.310 3.903 3.678 4.226 . 0 0 "[ . 1 . 2]" 1
687 1 41 VAL QG 1 42 LYS QB . . 7.330 2.413 2.066 2.960 . 0 0 "[ . 1 . 2]" 1
688 1 41 VAL QG 1 42 LYS QD . . 6.240 3.236 2.424 3.869 . 0 0 "[ . 1 . 2]" 1
689 1 41 VAL QG 1 42 LYS QE . . 6.040 3.604 2.711 4.052 . 0 0 "[ . 1 . 2]" 1
690 1 41 VAL QG 1 42 LYS QG . . 9.450 4.119 3.800 4.520 . 0 0 "[ . 1 . 2]" 1
691 1 41 VAL MG1 1 42 LYS H . . 6.370 3.153 1.974 4.281 . 0 0 "[ . 1 . 2]" 1
692 1 41 VAL MG1 1 42 LYS HD2 . . 7.920 4.272 2.984 5.261 . 0 0 "[ . 1 . 2]" 1
693 1 41 VAL MG1 1 42 LYS HD3 . . 7.920 5.663 4.391 6.628 . 0 0 "[ . 1 . 2]" 1
694 1 41 VAL MG1 1 42 LYS HE2 . . 7.300 5.378 4.291 6.086 . 0 0 "[ . 1 . 2]" 1
695 1 41 VAL MG1 1 42 LYS HE3 . . 7.300 4.587 3.482 5.183 . 0 0 "[ . 1 . 2]" 1
696 1 41 VAL MG2 1 42 LYS H . . 6.370 3.176 1.956 4.201 . 0 0 "[ . 1 . 2]" 1
697 1 41 VAL MG2 1 42 LYS HD2 . . 7.920 3.686 2.504 5.188 . 0 0 "[ . 1 . 2]" 1
698 1 41 VAL MG2 1 42 LYS HD3 . . 7.920 5.080 4.000 6.369 . 0 0 "[ . 1 . 2]" 1
699 1 41 VAL MG2 1 42 LYS HE2 . . 7.300 4.932 4.299 5.495 . 0 0 "[ . 1 . 2]" 1
700 1 41 VAL MG2 1 42 LYS HE3 . . 7.300 4.116 2.898 4.868 . 0 0 "[ . 1 . 2]" 1
701 1 42 LYS H 1 42 LYS QB . . 3.900 2.884 2.754 2.958 . 0 0 "[ . 1 . 2]" 1
702 1 42 LYS HA 1 42 LYS QE . . 3.640 3.044 2.591 3.294 . 0 0 "[ . 1 . 2]" 1
703 1 42 LYS HA 1 42 LYS QG . . 3.460 2.053 2.002 2.216 . 0 0 "[ . 1 . 2]" 1
704 1 42 LYS HA 1 43 ASN H . . 2.470 2.324 2.198 2.426 . 0 0 "[ . 1 . 2]" 1
705 1 42 LYS QB 1 42 LYS QE . . 4.340 3.012 2.058 3.411 . 0 0 "[ . 1 . 2]" 1
706 1 42 LYS QB 1 44 TRP HE3 . . 6.880 3.013 2.765 3.231 . 0 0 "[ . 1 . 2]" 1
707 1 42 LYS HB2 1 42 LYS HE2 . . 5.600 3.622 2.445 4.085 . 0 0 "[ . 1 . 2]" 1
708 1 42 LYS HB2 1 42 LYS HE3 . . 5.600 3.487 2.098 4.119 . 0 0 "[ . 1 . 2]" 1
709 1 42 LYS HB2 1 43 ASN H . . 4.850 4.132 3.904 4.360 . 0 0 "[ . 1 . 2]" 1
710 1 42 LYS HB3 1 42 LYS HE2 . . 5.600 4.393 3.816 4.558 . 0 0 "[ . 1 . 2]" 1
711 1 42 LYS HB3 1 42 LYS HE3 . . 5.600 4.769 3.705 5.215 . 0 0 "[ . 1 . 2]" 1
712 1 42 LYS HB3 1 43 ASN H . . 4.850 3.112 2.676 3.381 . 0 0 "[ . 1 . 2]" 1
713 1 42 LYS QG 1 43 ASN H . . 3.670 2.682 1.910 3.096 . 0 0 "[ . 1 . 2]" 1
714 1 42 LYS QG 1 44 TRP HH2 . . 6.880 4.160 3.586 4.676 . 0 0 "[ . 1 . 2]" 1
715 1 42 LYS QG 1 44 TRP HZ3 . . 6.880 3.318 2.472 3.904 . 0 0 "[ . 1 . 2]" 1
716 1 42 LYS HG2 1 43 ASN H . . 3.950 3.377 2.478 3.954 0.004 5 0 "[ . 1 . 2]" 1
717 1 42 LYS HG3 1 43 ASN H . . 3.950 2.837 1.957 3.285 . 0 0 "[ . 1 . 2]" 1
718 1 43 ASN H 1 43 ASN HB2 . . 3.800 3.068 2.169 3.757 . 0 0 "[ . 1 . 2]" 1
719 1 43 ASN H 1 43 ASN QB . . 3.630 2.791 2.137 3.088 . 0 0 "[ . 1 . 2]" 1
720 1 43 ASN H 1 43 ASN HB3 . . 3.800 3.435 3.057 3.777 . 0 0 "[ . 1 . 2]" 1
721 1 43 ASN H 1 43 ASN HD21 . . 6.000 3.549 2.047 4.592 . 0 0 "[ . 1 . 2]" 1
722 1 43 ASN H 1 43 ASN QD . . 5.260 3.255 1.998 4.073 . 0 0 "[ . 1 . 2]" 1
723 1 43 ASN H 1 43 ASN HD22 . . 6.000 3.934 2.788 5.558 . 0 0 "[ . 1 . 2]" 1
724 1 43 ASN H 1 44 TRP H . . 6.000 4.537 4.452 4.588 . 0 0 "[ . 1 . 2]" 1
725 1 43 ASN HA 1 44 TRP H . . 2.510 2.336 2.275 2.424 . 0 0 "[ . 1 . 2]" 1
726 1 43 ASN HB2 1 44 TRP H . . 4.200 3.214 2.598 4.204 0.004 16 0 "[ . 1 . 2]" 1
727 1 43 ASN HB3 1 44 TRP H . . 4.200 3.149 2.429 3.853 . 0 0 "[ . 1 . 2]" 1
728 1 44 TRP H 1 44 TRP HB2 . . 3.700 2.655 2.536 2.734 . 0 0 "[ . 1 . 2]" 1
729 1 44 TRP H 1 44 TRP QB . . 3.450 2.579 2.477 2.643 . 0 0 "[ . 1 . 2]" 1
730 1 44 TRP H 1 44 TRP HB3 . . 3.700 3.502 3.428 3.555 . 0 0 "[ . 1 . 2]" 1
731 1 44 TRP HA 1 44 TRP HE3 . . 4.630 3.750 3.533 3.976 . 0 0 "[ . 1 . 2]" 1
732 1 44 TRP HA 1 45 VAL H . . 2.540 2.268 2.198 2.370 . 0 0 "[ . 1 . 2]" 1
733 1 44 TRP HA 1 55 GLU HA . . 2.830 1.908 1.808 2.196 . 0 0 "[ . 1 . 2]" 1
734 1 44 TRP HA 1 56 SER H . . 3.800 2.097 1.893 2.431 . 0 0 "[ . 1 . 2]" 1
735 1 44 TRP QB 1 53 LEU QD . . 7.640 4.091 3.262 4.417 . 0 0 "[ . 1 . 2]" 1
736 1 44 TRP HB2 1 53 LEU MD1 . . 9.430 7.703 7.065 7.893 . 0 0 "[ . 1 . 2]" 1
737 1 44 TRP HB2 1 53 LEU MD2 . . 9.430 5.549 4.701 5.891 . 0 0 "[ . 1 . 2]" 1
738 1 44 TRP HB3 1 53 LEU MD1 . . 9.430 6.342 5.810 6.552 . 0 0 "[ . 1 . 2]" 1
739 1 44 TRP HB3 1 53 LEU MD2 . . 9.430 4.303 3.354 4.722 . 0 0 "[ . 1 . 2]" 1
740 1 44 TRP HD1 1 55 GLU QB . . 6.880 4.217 3.649 4.684 . 0 0 "[ . 1 . 2]" 1
741 1 44 TRP HE3 1 55 GLU HA . . 6.000 4.719 4.559 4.995 . 0 0 "[ . 1 . 2]" 1
742 1 44 TRP HE3 1 55 GLU QB . . 6.880 4.167 3.989 4.751 . 0 0 "[ . 1 . 2]" 1
743 1 44 TRP HE3 1 55 GLU QG . . 6.880 6.072 5.002 6.170 . 0 0 "[ . 1 . 2]" 1
744 1 44 TRP HH2 1 55 GLU QG . . 6.880 5.385 3.941 5.974 . 0 0 "[ . 1 . 2]" 1
745 1 44 TRP HZ2 1 55 GLU QB . . 6.880 3.606 3.051 4.133 . 0 0 "[ . 1 . 2]" 1
746 1 44 TRP HZ2 1 55 GLU QG . . 6.880 4.764 2.435 5.763 . 0 0 "[ . 1 . 2]" 1
747 1 44 TRP HZ3 1 55 GLU QG . . 6.880 6.001 5.020 6.126 . 0 0 "[ . 1 . 2]" 1
748 1 45 VAL H 1 45 VAL HB . . 3.550 2.876 2.551 3.612 0.062 5 0 "[ . 1 . 2]" 1
749 1 45 VAL H 1 54 VAL H . . 3.910 3.810 3.490 4.061 0.151 6 0 "[ . 1 . 2]" 1
750 1 45 VAL H 1 54 VAL QG . . 8.570 3.262 3.143 3.366 . 0 0 "[ . 1 . 2]" 1
751 1 45 VAL H 1 55 GLU HA . . 4.340 2.701 2.459 3.099 . 0 0 "[ . 1 . 2]" 1
752 1 45 VAL H 1 56 SER H . . 4.160 2.701 2.439 2.945 . 0 0 "[ . 1 . 2]" 1
753 1 45 VAL HA 1 46 MET H . . 2.720 2.209 2.179 2.226 . 0 0 "[ . 1 . 2]" 1
754 1 45 VAL HA 1 54 VAL QG . . 6.660 4.449 4.223 4.599 . 0 0 "[ . 1 . 2]" 1
755 1 45 VAL HB 1 46 MET H . . 4.560 3.966 3.012 4.211 . 0 0 "[ . 1 . 2]" 1
756 1 45 VAL HB 1 56 SER H . . 4.990 3.645 3.232 4.899 . 0 0 "[ . 1 . 2]" 1
757 1 45 VAL HB 1 56 SER HB2 . . 4.920 3.286 2.752 4.413 . 0 0 "[ . 1 . 2]" 1
758 1 45 VAL HB 1 56 SER QB . . 4.520 3.118 2.702 4.101 . 0 0 "[ . 1 . 2]" 1
759 1 45 VAL HB 1 56 SER HB3 . . 4.920 4.121 3.772 4.872 . 0 0 "[ . 1 . 2]" 1
760 1 45 VAL QG 1 46 MET H . . 4.880 2.274 2.053 3.197 . 0 0 "[ . 1 . 2]" 1
761 1 45 VAL QG 1 47 ASP HA . . 8.570 3.653 3.356 4.985 . 0 0 "[ . 1 . 2]" 1
762 1 45 VAL QG 1 54 VAL H . . 7.170 3.554 3.094 3.870 . 0 0 "[ . 1 . 2]" 1
763 1 45 VAL QG 1 55 GLU HA . . 8.570 3.864 3.101 4.447 . 0 0 "[ . 1 . 2]" 1
764 1 45 VAL QG 1 56 SER H . . 6.120 2.531 2.093 2.975 . 0 0 "[ . 1 . 2]" 1
765 1 45 VAL QG 1 56 SER HA . . 8.570 3.592 3.339 3.804 . 0 0 "[ . 1 . 2]" 1
766 1 45 VAL QG 1 56 SER QB . . 7.360 1.965 1.804 2.216 . 0 0 "[ . 1 . 2]" 1
767 1 45 VAL QG 1 57 ASP H . . 8.570 3.670 3.388 4.192 . 0 0 "[ . 1 . 2]" 1
768 1 45 VAL QG 1 57 ASP HA . . 8.570 3.232 2.789 4.148 . 0 0 "[ . 1 . 2]" 1
769 1 45 VAL QG 1 58 ASP H . . 5.870 3.265 2.764 4.037 . 0 0 "[ . 1 . 2]" 1
770 1 45 VAL QG 1 58 ASP HB2 . . 5.800 3.429 3.123 3.689 . 0 0 "[ . 1 . 2]" 1
771 1 45 VAL QG 1 58 ASP HB3 . . 6.340 4.546 4.359 4.684 . 0 0 "[ . 1 . 2]" 1
772 1 45 VAL MG1 1 46 MET H . . 5.870 2.667 2.117 4.058 . 0 0 "[ . 1 . 2]" 1
773 1 45 VAL MG2 1 46 MET H . . 5.870 3.476 2.059 4.180 . 0 0 "[ . 1 . 2]" 1
774 1 46 MET H 1 46 MET HB2 . . 3.730 2.356 2.239 2.460 . 0 0 "[ . 1 . 2]" 1
775 1 46 MET H 1 46 MET HB3 . . 3.730 3.093 2.919 3.346 . 0 0 "[ . 1 . 2]" 1
776 1 46 MET H 1 47 ASP H . . 5.240 4.203 4.095 4.382 . 0 0 "[ . 1 . 2]" 1
777 1 46 MET HA 1 46 MET QG . . 3.790 2.161 2.016 2.273 . 0 0 "[ . 1 . 2]" 1
778 1 46 MET HA 1 47 ASP H . . 2.620 2.174 2.139 2.207 . 0 0 "[ . 1 . 2]" 1
779 1 46 MET HA 1 53 LEU HA . . 2.800 2.818 2.688 2.899 0.099 13 0 "[ . 1 . 2]" 1
780 1 46 MET HA 1 53 LEU QB . . 6.880 4.189 4.006 4.395 . 0 0 "[ . 1 . 2]" 1
781 1 46 MET HA 1 53 LEU MD1 . . 5.690 3.069 2.504 4.371 . 0 0 "[ . 1 . 2]" 1
782 1 46 MET HA 1 53 LEU QD . . 5.090 2.788 1.966 3.233 . 0 0 "[ . 1 . 2]" 1
783 1 46 MET HA 1 53 LEU MD2 . . 5.690 3.652 1.969 4.164 . 0 0 "[ . 1 . 2]" 1
784 1 46 MET HA 1 53 LEU HG . . 4.340 2.344 2.000 3.094 . 0 0 "[ . 1 . 2]" 1
785 1 46 MET HA 1 54 VAL H . . 4.340 3.719 3.250 4.127 . 0 0 "[ . 1 . 2]" 1
786 1 46 MET HB2 1 47 ASP H . . 6.000 4.612 4.539 4.654 . 0 0 "[ . 1 . 2]" 1
787 1 46 MET HB3 1 47 ASP H . . 6.000 4.056 3.842 4.237 . 0 0 "[ . 1 . 2]" 1
788 1 46 MET ME 1 102 LEU MD1 . . 5.840 3.934 3.849 4.010 . 0 0 "[ . 1 . 2]" 1
789 1 46 MET ME 1 102 LEU QD . . 5.560 2.006 1.872 2.170 . 0 0 "[ . 1 . 2]" 1
790 1 46 MET ME 1 102 LEU MD2 . . 5.840 2.012 1.875 2.182 . 0 0 "[ . 1 . 2]" 1
791 1 46 MET ME 2 1 PLM H81 . . 4.910 2.948 2.590 3.221 . 0 0 "[ . 1 . 2]" 1
792 1 46 MET ME 2 1 PLM HA1 . . 4.840 2.668 2.431 2.994 . 0 0 "[ . 1 . 2]" 1
793 1 46 MET ME 2 1 PLM HD1 . . 4.770 3.268 3.051 3.426 . 0 0 "[ . 1 . 2]" 1
794 1 46 MET QG 1 47 ASP H . . 4.770 3.449 3.165 3.802 . 0 0 "[ . 1 . 2]" 1
795 1 46 MET QG 1 48 LEU QD . . 9.450 2.596 1.873 3.882 . 0 0 "[ . 1 . 2]" 1
796 1 46 MET QG 1 53 LEU QD . . 7.400 1.912 1.786 2.046 . 0 0 "[ . 1 . 2]" 1
797 1 46 MET QG 2 1 PLM H61 . . 5.120 3.780 3.490 4.058 . 0 0 "[ . 1 . 2]" 1
798 1 46 MET HG2 1 47 ASP H . . 4.920 4.618 3.268 5.055 0.135 10 0 "[ . 1 . 2]" 1
799 1 46 MET HG2 2 1 PLM H61 . . 5.410 3.942 3.571 4.327 . 0 0 "[ . 1 . 2]" 1
800 1 46 MET HG3 1 47 ASP H . . 4.920 3.718 3.231 4.611 . 0 0 "[ . 1 . 2]" 1
801 1 46 MET HG3 2 1 PLM H61 . . 5.410 4.892 4.822 4.934 . 0 0 "[ . 1 . 2]" 1
802 1 47 ASP H 1 47 ASP HB2 . . 3.230 2.265 2.116 2.482 . 0 0 "[ . 1 . 2]" 1
803 1 47 ASP H 1 47 ASP QB . . 3.050 2.194 2.090 2.342 . 0 0 "[ . 1 . 2]" 1
804 1 47 ASP H 1 47 ASP HB3 . . 3.230 3.016 2.830 3.244 0.014 11 0 "[ . 1 . 2]" 1
805 1 47 ASP H 1 48 LEU QD . . 6.800 4.226 3.649 5.171 . 0 0 "[ . 1 . 2]" 1
806 1 47 ASP H 1 52 LYS H . . 4.020 4.036 3.920 4.116 0.096 6 0 "[ . 1 . 2]" 1
807 1 47 ASP H 1 53 LEU HA . . 4.630 2.471 2.247 2.706 . 0 0 "[ . 1 . 2]" 1
808 1 47 ASP H 1 54 VAL QG . . 8.570 3.615 3.452 3.773 . 0 0 "[ . 1 . 2]" 1
809 1 47 ASP HA 1 48 LEU H . . 2.580 2.287 2.216 2.352 . 0 0 "[ . 1 . 2]" 1
810 1 47 ASP HA 1 49 LYS H . . 3.520 3.116 3.076 3.163 . 0 0 "[ . 1 . 2]" 1
811 1 47 ASP HA 1 54 VAL QG . . 6.120 4.554 4.527 4.605 . 0 0 "[ . 1 . 2]" 1
812 1 47 ASP QB 1 48 LEU QD . . 8.260 4.719 4.231 5.272 . 0 0 "[ . 1 . 2]" 1
813 1 47 ASP QB 1 49 LYS H . . 6.880 3.787 3.574 4.141 . 0 0 "[ . 1 . 2]" 1
814 1 47 ASP QB 1 51 VAL H . . 5.660 3.509 3.272 3.812 . 0 0 "[ . 1 . 2]" 1
815 1 47 ASP QB 1 52 LYS H . . 4.610 2.336 2.094 2.757 . 0 0 "[ . 1 . 2]" 1
816 1 47 ASP QB 1 52 LYS QB . . 7.760 3.053 2.578 4.177 . 0 0 "[ . 1 . 2]" 1
817 1 47 ASP QB 1 52 LYS QG . . 6.100 4.414 2.605 4.884 . 0 0 "[ . 1 . 2]" 1
818 1 47 ASP QB 1 54 VAL QG . . 5.460 2.723 2.612 2.854 . 0 0 "[ . 1 . 2]" 1
819 1 47 ASP HB2 1 48 LEU H . . 6.000 4.662 4.634 4.674 . 0 0 "[ . 1 . 2]" 1
820 1 47 ASP HB2 1 54 VAL MG1 . . 6.940 2.954 2.822 3.096 . 0 0 "[ . 1 . 2]" 1
821 1 47 ASP HB2 1 54 VAL MG2 . . 6.940 3.474 3.245 3.800 . 0 0 "[ . 1 . 2]" 1
822 1 47 ASP HB3 1 48 LEU H . . 6.000 4.271 4.174 4.362 . 0 0 "[ . 1 . 2]" 1
823 1 47 ASP HB3 1 54 VAL MG1 . . 6.940 3.942 3.604 4.239 . 0 0 "[ . 1 . 2]" 1
824 1 47 ASP HB3 1 54 VAL MG2 . . 6.940 4.869 4.552 5.166 . 0 0 "[ . 1 . 2]" 1
825 1 48 LEU H 1 48 LEU QB . . 3.840 2.217 2.157 2.304 . 0 0 "[ . 1 . 2]" 1
826 1 48 LEU H 1 48 LEU HG . . 3.590 3.442 2.871 3.766 0.176 6 0 "[ . 1 . 2]" 1
827 1 48 LEU H 1 49 LYS H . . 3.410 2.503 2.430 2.573 . 0 0 "[ . 1 . 2]" 1
828 1 48 LEU HA 1 51 VAL H . . 3.910 3.440 3.264 3.511 . 0 0 "[ . 1 . 2]" 1
829 1 48 LEU HA 1 51 VAL HA . . 3.230 3.240 3.101 3.295 0.065 12 0 "[ . 1 . 2]" 1
830 1 48 LEU HA 1 51 VAL QG . . 7.060 3.910 3.688 4.024 . 0 0 "[ . 1 . 2]" 1
831 1 48 LEU QD 1 49 LYS H . . 6.460 4.120 3.905 4.472 . 0 0 "[ . 1 . 2]" 1
832 1 48 LEU QD 2 1 PLM H21 . . 6.560 2.389 1.960 2.789 . 0 0 "[ . 1 . 2]" 1
833 1 48 LEU QD 2 1 PLM H41 . . 7.610 2.218 1.725 3.832 . 0 0 "[ . 1 . 2]" 1
834 1 48 LEU QD 2 1 PLM H61 . . 7.000 2.740 2.075 3.490 . 0 0 "[ . 1 . 2]" 1
835 1 48 LEU MD1 1 49 LYS H . . 6.800 4.680 4.051 5.403 . 0 0 "[ . 1 . 2]" 1
836 1 48 LEU MD1 2 1 PLM H21 . . 7.020 3.629 1.978 5.012 . 0 0 "[ . 1 . 2]" 1
837 1 48 LEU MD2 1 49 LYS H . . 6.800 4.863 4.080 5.339 . 0 0 "[ . 1 . 2]" 1
838 1 48 LEU MD2 2 1 PLM H21 . . 7.020 3.131 2.147 5.016 . 0 0 "[ . 1 . 2]" 1
839 1 48 LEU HG 2 1 PLM H21 . . 5.460 4.615 4.538 4.771 . 0 0 "[ . 1 . 2]" 1
840 1 48 LEU HG 2 1 PLM H61 . . 4.690 4.011 3.464 4.290 . 0 0 "[ . 1 . 2]" 1
841 1 49 LYS H 1 50 ASN H . . 3.300 2.533 2.519 2.556 . 0 0 "[ . 1 . 2]" 1
842 1 49 LYS H 1 51 VAL H . . 4.600 3.330 3.216 3.455 . 0 0 "[ . 1 . 2]" 1
843 1 49 LYS HA 1 49 LYS QD . . 4.580 3.924 3.445 4.160 . 0 0 "[ . 1 . 2]" 1
844 1 49 LYS HA 1 49 LYS QG . . 3.870 2.280 2.009 3.341 . 0 0 "[ . 1 . 2]" 1
845 1 49 LYS QB 1 51 VAL H . . 6.410 4.181 4.115 4.691 . 0 0 "[ . 1 . 2]" 1
846 1 49 LYS QD 1 50 ASN H . . 6.880 4.503 3.923 4.697 . 0 0 "[ . 1 . 2]" 1
847 1 49 LYS QG 1 50 ASN H . . 6.880 4.121 1.864 4.382 . 0 0 "[ . 1 . 2]" 1
848 1 50 ASN H 1 50 ASN HB2 . . 4.160 2.278 2.149 2.686 . 0 0 "[ . 1 . 2]" 1
849 1 50 ASN H 1 50 ASN QB . . 3.590 2.210 2.127 2.316 . 0 0 "[ . 1 . 2]" 1
850 1 50 ASN H 1 50 ASN HB3 . . 4.160 3.196 2.506 3.591 . 0 0 "[ . 1 . 2]" 1
851 1 50 ASN H 1 51 VAL H . . 3.190 2.383 2.295 2.430 . 0 0 "[ . 1 . 2]" 1
852 1 50 ASN H 1 52 LYS QB . . 6.880 4.898 4.652 5.858 . 0 0 "[ . 1 . 2]" 1
853 1 50 ASN HB2 1 51 VAL H . . 6.000 3.778 3.430 4.288 . 0 0 "[ . 1 . 2]" 1
854 1 50 ASN HB3 1 51 VAL H . . 6.000 3.733 3.423 4.114 . 0 0 "[ . 1 . 2]" 1
855 1 51 VAL H 1 51 VAL HA . . 2.760 2.280 2.277 2.282 . 0 0 "[ . 1 . 2]" 1
856 1 51 VAL H 1 52 LYS H . . 3.660 2.643 2.600 2.697 . 0 0 "[ . 1 . 2]" 1
857 1 51 VAL HA 1 52 LYS H . . 2.690 2.725 2.687 2.793 0.103 8 0 "[ . 1 . 2]" 1
858 1 51 VAL HB 1 52 LYS H . . 6.000 4.262 4.209 4.295 . 0 0 "[ . 1 . 2]" 1
859 1 51 VAL HB 1 52 LYS QB . . 6.880 4.417 4.211 4.813 . 0 0 "[ . 1 . 2]" 1
860 1 51 VAL QG 1 52 LYS H . . 6.380 3.731 3.686 3.754 . 0 0 "[ . 1 . 2]" 1
861 1 51 VAL MG1 1 52 LYS H . . 6.950 4.096 3.994 4.172 . 0 0 "[ . 1 . 2]" 1
862 1 51 VAL MG2 1 52 LYS H . . 6.950 4.299 4.256 4.329 . 0 0 "[ . 1 . 2]" 1
863 1 52 LYS H 1 52 LYS HG2 . . 5.680 4.695 2.411 5.122 . 0 0 "[ . 1 . 2]" 1
864 1 52 LYS H 1 52 LYS HG3 . . 5.680 4.411 3.137 4.755 . 0 0 "[ . 1 . 2]" 1
865 1 52 LYS HA 1 53 LEU H . . 2.400 2.367 2.144 2.492 0.092 19 0 "[ . 1 . 2]" 1
866 1 52 LYS QB 1 53 LEU H . . 4.460 2.969 2.372 3.797 . 0 0 "[ . 1 . 2]" 1
867 1 52 LYS QB 1 54 VAL QG . . 9.450 3.099 2.853 3.506 . 0 0 "[ . 1 . 2]" 1
868 1 52 LYS HB2 1 53 LEU H . . 4.670 3.941 2.596 4.352 . 0 0 "[ . 1 . 2]" 1
869 1 52 LYS HB3 1 53 LEU H . . 4.670 3.175 2.396 4.333 . 0 0 "[ . 1 . 2]" 1
870 1 52 LYS QG 1 54 VAL QG . . 9.450 3.499 2.033 4.658 . 0 0 "[ . 1 . 2]" 1
871 1 53 LEU H 1 53 LEU HB2 . . 3.770 2.358 2.116 2.556 . 0 0 "[ . 1 . 2]" 1
872 1 53 LEU H 1 53 LEU QB . . 3.570 2.317 2.095 2.486 . 0 0 "[ . 1 . 2]" 1
873 1 53 LEU H 1 53 LEU HB3 . . 3.770 3.424 3.176 3.536 . 0 0 "[ . 1 . 2]" 1
874 1 53 LEU H 1 54 VAL H . . 5.530 4.244 3.915 4.573 . 0 0 "[ . 1 . 2]" 1
875 1 53 LEU HA 1 53 LEU HG . . 3.730 2.317 2.146 2.418 . 0 0 "[ . 1 . 2]" 1
876 1 53 LEU HA 1 54 VAL H . . 2.800 2.188 2.161 2.206 . 0 0 "[ . 1 . 2]" 1
877 1 53 LEU QB 1 54 VAL H . . 4.390 3.445 3.063 3.757 . 0 0 "[ . 1 . 2]" 1
878 1 53 LEU HB2 1 54 VAL H . . 4.630 4.468 4.278 4.623 . 0 0 "[ . 1 . 2]" 1
879 1 53 LEU HB3 1 54 VAL H . . 4.630 3.594 3.138 3.976 . 0 0 "[ . 1 . 2]" 1
880 1 53 LEU QD 1 54 VAL H . . 5.780 3.932 2.938 4.285 . 0 0 "[ . 1 . 2]" 1
881 1 53 LEU QD 2 1 PLM H81 . . 9.420 3.672 3.365 3.855 . 0 0 "[ . 1 . 2]" 1
882 1 53 LEU QD 2 1 PLM HA1 . . 6.420 4.153 4.057 4.265 . 0 0 "[ . 1 . 2]" 1
883 1 53 LEU MD1 1 54 VAL H . . 7.020 4.490 4.181 5.259 . 0 0 "[ . 1 . 2]" 1
884 1 53 LEU MD2 1 54 VAL H . . 7.020 4.511 2.961 5.116 . 0 0 "[ . 1 . 2]" 1
885 1 53 LEU HG 1 54 VAL H . . 4.340 3.775 3.096 4.171 . 0 0 "[ . 1 . 2]" 1
886 1 54 VAL H 1 55 GLU H . . 5.930 4.471 4.428 4.525 . 0 0 "[ . 1 . 2]" 1
887 1 54 VAL HA 1 55 GLU H . . 2.540 2.474 2.345 2.568 0.028 19 0 "[ . 1 . 2]" 1
888 1 54 VAL HB 1 55 GLU H . . 3.160 2.332 2.175 2.602 . 0 0 "[ . 1 . 2]" 1
889 1 54 VAL QG 1 55 GLU H . . 6.270 2.835 2.656 3.073 . 0 0 "[ . 1 . 2]" 1
890 1 54 VAL QG 1 55 GLU QG . . 9.450 3.996 3.817 4.394 . 0 0 "[ . 1 . 2]" 1
891 1 55 GLU H 1 55 GLU HB2 . . 3.800 3.609 2.678 3.714 . 0 0 "[ . 1 . 2]" 1
892 1 55 GLU H 1 55 GLU QB . . 3.360 2.906 2.616 2.985 . 0 0 "[ . 1 . 2]" 1
893 1 55 GLU H 1 55 GLU HB3 . . 3.800 3.103 2.966 3.673 . 0 0 "[ . 1 . 2]" 1
894 1 55 GLU H 1 55 GLU HG2 . . 4.780 2.502 1.936 3.901 . 0 0 "[ . 1 . 2]" 1
895 1 55 GLU H 1 55 GLU QG . . 4.200 2.139 1.900 2.561 . 0 0 "[ . 1 . 2]" 1
896 1 55 GLU H 1 55 GLU HG3 . . 4.780 3.065 1.917 3.630 . 0 0 "[ . 1 . 2]" 1
897 1 55 GLU H 1 56 SER H . . 5.860 4.252 4.196 4.287 . 0 0 "[ . 1 . 2]" 1
898 1 55 GLU HA 1 56 SER H . . 2.580 2.150 2.141 2.177 . 0 0 "[ . 1 . 2]" 1
899 1 55 GLU HB2 1 56 SER H . . 6.000 3.694 3.579 4.325 . 0 0 "[ . 1 . 2]" 1
900 1 55 GLU HB3 1 56 SER H . . 6.000 4.282 3.833 4.370 . 0 0 "[ . 1 . 2]" 1
901 1 55 GLU QG 1 56 SER H . . 6.880 4.445 4.284 4.523 . 0 0 "[ . 1 . 2]" 1
902 1 56 SER H 1 56 SER HB2 . . 3.770 2.966 2.953 2.989 . 0 0 "[ . 1 . 2]" 1
903 1 56 SER H 1 56 SER QB . . 3.570 2.862 2.853 2.874 . 0 0 "[ . 1 . 2]" 1
904 1 56 SER H 1 56 SER HB3 . . 3.770 3.769 3.729 3.783 0.013 13 0 "[ . 1 . 2]" 1
905 1 56 SER H 1 57 ASP H . . 6.000 4.355 4.343 4.361 . 0 0 "[ . 1 . 2]" 1
906 1 56 SER HA 1 56 SER QB . . 2.710 2.522 2.517 2.532 . 0 0 "[ . 1 . 2]" 1
907 1 56 SER HA 1 57 ASP H . . 2.400 2.433 2.390 2.474 0.074 3 0 "[ . 1 . 2]" 1
908 1 56 SER QB 1 57 ASP H . . 4.110 2.494 2.419 2.589 . 0 0 "[ . 1 . 2]" 1
909 1 56 SER HB2 1 57 ASP H . . 4.450 3.909 3.856 3.975 . 0 0 "[ . 1 . 2]" 1
910 1 56 SER HB2 1 58 ASP H . . 6.000 5.997 5.921 6.055 0.055 5 0 "[ . 1 . 2]" 1
911 1 56 SER HB3 1 57 ASP H . . 4.450 2.523 2.444 2.624 . 0 0 "[ . 1 . 2]" 1
912 1 56 SER HB3 1 58 ASP H . . 6.000 4.773 4.701 4.805 . 0 0 "[ . 1 . 2]" 1
913 1 57 ASP H 1 57 ASP HB2 . . 3.590 3.470 2.600 3.714 0.124 18 0 "[ . 1 . 2]" 1
914 1 57 ASP H 1 57 ASP QB . . 3.350 2.911 2.465 3.172 . 0 0 "[ . 1 . 2]" 1
915 1 57 ASP H 1 57 ASP HB3 . . 3.590 3.187 2.519 3.611 0.021 20 0 "[ . 1 . 2]" 1
916 1 57 ASP H 1 58 ASP H . . 4.740 4.211 4.159 4.259 . 0 0 "[ . 1 . 2]" 1
917 1 57 ASP HA 1 58 ASP H . . 3.550 2.138 2.138 2.140 . 0 0 "[ . 1 . 2]" 1
918 1 57 ASP HB2 1 58 ASP H . . 5.460 3.828 3.534 4.548 . 0 0 "[ . 1 . 2]" 1
919 1 57 ASP HB3 1 58 ASP H . . 5.460 4.167 3.899 4.516 . 0 0 "[ . 1 . 2]" 1
920 1 58 ASP H 1 58 ASP HB2 . . 2.980 3.143 3.100 3.187 0.207 9 0 "[ . 1 . 2]" 1
921 1 58 ASP H 1 59 ALA H . . 6.000 4.394 4.383 4.410 . 0 0 "[ . 1 . 2]" 1
922 1 58 ASP HA 1 58 ASP HB2 . . 2.980 2.990 2.969 3.014 0.034 14 0 "[ . 1 . 2]" 1
923 1 58 ASP HA 1 58 ASP HB3 . . 2.650 2.316 2.286 2.366 . 0 0 "[ . 1 . 2]" 1
924 1 58 ASP HA 1 59 ALA H . . 2.440 2.405 2.345 2.497 0.057 14 0 "[ . 1 . 2]" 1
925 1 58 ASP HB2 1 59 ALA H . . 3.120 3.246 3.196 3.289 0.169 9 0 "[ . 1 . 2]" 1
926 1 58 ASP HB3 1 59 ALA H . . 2.900 2.615 2.356 2.800 . 0 0 "[ . 1 . 2]" 1
927 1 59 ALA HA 1 60 ALA H . . 2.400 2.265 2.229 2.363 . 0 0 "[ . 1 . 2]" 1
928 1 60 ALA HA 1 61 GLU H . . 2.760 2.276 2.208 2.364 . 0 0 "[ . 1 . 2]" 1
929 1 60 ALA HA 1 62 ALA H . . 5.750 3.885 3.713 4.072 . 0 0 "[ . 1 . 2]" 1
930 1 60 ALA MB 1 62 ALA H . . 4.790 2.367 2.166 2.527 . 0 0 "[ . 1 . 2]" 1
931 1 61 GLU H 1 61 GLU HG2 . . 4.850 4.110 3.319 4.498 . 0 0 "[ . 1 . 2]" 1
932 1 61 GLU H 1 61 GLU QG . . 4.420 3.656 3.192 3.913 . 0 0 "[ . 1 . 2]" 1
933 1 61 GLU H 1 61 GLU HG3 . . 4.850 4.146 3.721 4.449 . 0 0 "[ . 1 . 2]" 1
934 1 61 GLU H 1 62 ALA H . . 3.300 2.607 2.592 2.620 . 0 0 "[ . 1 . 2]" 1
935 1 61 GLU HA 1 61 GLU QG . . 3.660 2.271 2.019 2.573 . 0 0 "[ . 1 . 2]" 1
936 1 61 GLU QB 1 62 ALA MB . . 7.900 3.282 3.162 3.373 . 0 0 "[ . 1 . 2]" 1
937 1 61 GLU QB 1 98 LEU MD1 . . 7.720 2.945 1.999 3.804 . 0 0 "[ . 1 . 2]" 1
938 1 61 GLU QB 1 98 LEU QD . . 6.770 2.881 1.988 3.725 . 0 0 "[ . 1 . 2]" 1
939 1 61 GLU QB 1 98 LEU MD2 . . 7.720 4.138 3.353 5.316 . 0 0 "[ . 1 . 2]" 1
940 1 61 GLU QG 1 62 ALA H . . 5.760 4.685 4.577 4.794 . 0 0 "[ . 1 . 2]" 1
941 1 61 GLU QG 1 95 GLN QB . . 7.760 5.594 4.893 6.037 . 0 0 "[ . 1 . 2]" 1
942 1 61 GLU QG 1 98 LEU QD . . 7.290 3.858 3.283 4.370 . 0 0 "[ . 1 . 2]" 1
943 1 61 GLU HG2 1 62 ALA H . . 6.000 5.273 4.907 5.595 . 0 0 "[ . 1 . 2]" 1
944 1 61 GLU HG2 1 98 LEU MD1 . . 8.780 4.526 3.856 5.232 . 0 0 "[ . 1 . 2]" 1
945 1 61 GLU HG2 1 98 LEU MD2 . . 8.780 5.664 4.611 6.720 . 0 0 "[ . 1 . 2]" 1
946 1 61 GLU HG3 1 62 ALA H . . 6.000 5.299 5.003 5.596 . 0 0 "[ . 1 . 2]" 1
947 1 61 GLU HG3 1 98 LEU MD1 . . 8.780 4.650 3.522 5.946 . 0 0 "[ . 1 . 2]" 1
948 1 61 GLU HG3 1 98 LEU MD2 . . 8.780 5.691 4.344 6.857 . 0 0 "[ . 1 . 2]" 1
949 1 62 ALA H 1 63 THR H . . 6.000 4.188 4.141 4.386 . 0 0 "[ . 1 . 2]" 1
950 1 62 ALA H 1 98 LEU QD . . 8.570 4.394 3.813 5.473 . 0 0 "[ . 1 . 2]" 1
951 1 62 ALA HA 1 63 THR H . . 2.650 2.152 2.144 2.284 . 0 0 "[ . 1 . 2]" 1
952 1 62 ALA HA 1 94 GLY HA2 . . 3.590 3.061 2.894 3.150 . 0 0 "[ . 1 . 2]" 1
953 1 62 ALA HA 1 94 GLY QA . . 3.270 2.544 2.314 2.673 . 0 0 "[ . 1 . 2]" 1
954 1 62 ALA HA 1 94 GLY HA3 . . 3.590 2.727 2.434 2.925 . 0 0 "[ . 1 . 2]" 1
955 1 62 ALA HA 1 95 GLN H . . 4.060 4.045 3.617 4.158 0.098 12 0 "[ . 1 . 2]" 1
956 1 62 ALA MB 1 64 LEU QD . . 8.110 2.784 2.484 3.034 . 0 0 "[ . 1 . 2]" 1
957 1 62 ALA MB 1 98 LEU MD1 . . 8.040 2.406 1.943 3.577 . 0 0 "[ . 1 . 2]" 1
958 1 62 ALA MB 1 98 LEU MD2 . . 8.040 3.825 3.051 4.740 . 0 0 "[ . 1 . 2]" 1
959 1 63 THR H 1 63 THR HA . . 2.760 2.937 2.928 2.947 0.187 10 0 "[ . 1 . 2]" 1
960 1 63 THR H 1 63 THR HB . . 3.190 2.515 2.458 2.800 . 0 0 "[ . 1 . 2]" 1
961 1 63 THR H 1 64 LEU H . . 6.000 4.431 4.307 4.468 . 0 0 "[ . 1 . 2]" 1
962 1 63 THR H 1 92 VAL HA . . 6.000 5.650 5.373 5.833 . 0 0 "[ . 1 . 2]" 1
963 1 63 THR H 1 92 VAL QG . . 7.270 4.508 3.631 5.471 . 0 0 "[ . 1 . 2]" 1
964 1 63 THR H 1 93 ASP H . . 3.800 3.691 3.475 3.852 0.052 3 0 "[ . 1 . 2]" 1
965 1 63 THR H 1 93 ASP QB . . 4.790 3.437 3.278 3.833 . 0 0 "[ . 1 . 2]" 1
966 1 63 THR HA 1 64 LEU H . . 2.510 2.156 2.144 2.186 . 0 0 "[ . 1 . 2]" 1
967 1 63 THR HB 1 64 LEU H . . 6.000 4.221 4.097 4.298 . 0 0 "[ . 1 . 2]" 1
968 1 63 THR HB 1 93 ASP H . . 4.520 3.111 2.809 3.415 . 0 0 "[ . 1 . 2]" 1
969 1 63 THR HB 1 93 ASP HB2 . . 3.980 2.346 2.297 2.427 . 0 0 "[ . 1 . 2]" 1
970 1 63 THR HB 1 93 ASP HB3 . . 3.980 4.084 4.043 4.123 0.143 14 0 "[ . 1 . 2]" 1
971 1 63 THR MG 1 64 LEU H . . 4.710 2.451 2.237 2.627 . 0 0 "[ . 1 . 2]" 1
972 1 63 THR MG 1 93 ASP HB2 . . 6.260 3.571 3.470 3.641 . 0 0 "[ . 1 . 2]" 1
973 1 63 THR MG 1 93 ASP QB . . 5.950 3.498 3.405 3.564 . 0 0 "[ . 1 . 2]" 1
974 1 63 THR MG 1 93 ASP HB3 . . 6.260 5.013 4.943 5.073 . 0 0 "[ . 1 . 2]" 1
975 1 64 LEU H 1 64 LEU MD1 . . 5.470 3.041 2.447 3.381 . 0 0 "[ . 1 . 2]" 1
976 1 64 LEU H 1 64 LEU QD . . 4.660 2.953 2.133 3.301 . 0 0 "[ . 1 . 2]" 1
977 1 64 LEU H 1 64 LEU MD2 . . 5.470 4.404 2.185 4.616 . 0 0 "[ . 1 . 2]" 1
978 1 64 LEU H 1 64 LEU HG . . 4.490 3.593 2.961 4.304 . 0 0 "[ . 1 . 2]" 1
979 1 64 LEU H 1 65 THR H . . 5.240 4.149 4.007 4.395 . 0 0 "[ . 1 . 2]" 1
980 1 64 LEU HA 1 64 LEU HG . . 3.770 2.504 2.170 3.715 . 0 0 "[ . 1 . 2]" 1
981 1 64 LEU HA 1 65 THR H . . 2.650 2.157 2.138 2.199 . 0 0 "[ . 1 . 2]" 1
982 1 64 LEU QB 1 65 THR H . . 4.310 3.443 2.970 3.574 . 0 0 "[ . 1 . 2]" 1
983 1 64 LEU HB2 1 65 THR H . . 4.450 4.375 4.153 4.489 0.039 20 0 "[ . 1 . 2]" 1
984 1 64 LEU HB3 1 65 THR H . . 4.450 3.608 3.040 3.763 . 0 0 "[ . 1 . 2]" 1
985 1 64 LEU QD 1 65 THR H . . 8.570 4.142 3.536 4.500 . 0 0 "[ . 1 . 2]" 1
986 1 64 LEU QD 2 1 PLM HA1 . . 7.220 4.698 4.640 4.762 . 0 0 "[ . 1 . 2]" 1
987 1 64 LEU QD 2 1 PLM HC1 . . 7.760 4.833 4.290 5.079 . 0 0 "[ . 1 . 2]" 1
988 1 64 LEU HG 1 65 THR H . . 5.860 4.558 3.679 5.675 . 0 0 "[ . 1 . 2]" 1
989 1 65 THR H 1 65 THR HB . . 3.120 2.863 2.564 3.001 . 0 0 "[ . 1 . 2]" 1
990 1 65 THR H 1 90 MET QG . . 6.880 5.412 4.571 6.002 . 0 0 "[ . 1 . 2]" 1
991 1 65 THR H 1 91 GLU H . . 4.520 4.557 4.402 4.600 0.080 18 0 "[ . 1 . 2]" 1
992 1 65 THR H 1 91 GLU QB . . 5.690 4.703 4.190 5.129 . 0 0 "[ . 1 . 2]" 1
993 1 65 THR HA 1 66 MET H . . 2.580 2.164 2.148 2.206 . 0 0 "[ . 1 . 2]" 1
994 1 65 THR HB 1 66 MET H . . 5.390 3.934 3.799 4.310 . 0 0 "[ . 1 . 2]" 1
995 1 65 THR HB 1 91 GLU H . . 4.780 3.069 2.458 4.457 . 0 0 "[ . 1 . 2]" 1
996 1 65 THR HB 1 91 GLU QB . . 4.320 2.995 2.187 3.924 . 0 0 "[ . 1 . 2]" 1
997 1 65 THR MG 1 66 MET H . . 4.280 2.577 2.116 3.508 . 0 0 "[ . 1 . 2]" 1
998 1 66 MET HA 1 67 GLU H . . 3.190 2.298 2.212 2.661 . 0 0 "[ . 1 . 2]" 1
999 1 66 MET HA 1 90 MET HB2 . . 6.000 5.337 4.822 6.002 0.002 6 0 "[ . 1 . 2]" 1
1000 1 66 MET HA 1 90 MET HB3 . . 6.000 4.372 3.928 5.209 . 0 0 "[ . 1 . 2]" 1
1001 1 66 MET HA 1 90 MET QG . . 4.760 2.580 1.961 3.544 . 0 0 "[ . 1 . 2]" 1
1002 1 66 MET QG 1 67 GLU H . . 5.800 3.584 3.174 3.951 . 0 0 "[ . 1 . 2]" 1
1003 1 66 MET QG 1 90 MET QB . . 4.250 3.157 3.006 3.529 . 0 0 "[ . 1 . 2]" 1
1004 1 66 MET QG 1 90 MET QG . . 4.160 1.918 1.815 2.296 . 0 0 "[ . 1 . 2]" 1
1005 1 66 MET HG2 1 90 MET HB2 . . 5.600 4.970 4.283 5.367 . 0 0 "[ . 1 . 2]" 1
1006 1 66 MET HG2 1 90 MET HB3 . . 5.600 4.308 3.384 4.902 . 0 0 "[ . 1 . 2]" 1
1007 1 66 MET HG3 1 90 MET HB2 . . 5.600 4.614 4.120 5.557 . 0 0 "[ . 1 . 2]" 1
1008 1 66 MET HG3 1 90 MET HB3 . . 5.600 3.509 3.169 4.272 . 0 0 "[ . 1 . 2]" 1
1009 1 67 GLU H 1 67 GLU HB2 . . 3.620 2.441 2.314 2.555 . 0 0 "[ . 1 . 2]" 1
1010 1 67 GLU H 1 67 GLU HB3 . . 3.620 3.612 3.571 3.658 0.038 13 0 "[ . 1 . 2]" 1
1011 1 67 GLU H 1 67 GLU HG2 . . 3.770 3.464 2.518 3.831 0.061 4 0 "[ . 1 . 2]" 1
1012 1 67 GLU H 1 67 GLU QG . . 3.450 2.515 2.311 2.886 . 0 0 "[ . 1 . 2]" 1
1013 1 67 GLU H 1 67 GLU HG3 . . 3.770 2.660 2.336 3.213 . 0 0 "[ . 1 . 2]" 1
1014 1 67 GLU H 1 68 ASP H . . 6.000 4.599 4.572 4.627 . 0 0 "[ . 1 . 2]" 1
1015 1 67 GLU H 1 70 ILE MG . . 7.020 3.371 3.149 4.243 . 0 0 "[ . 1 . 2]" 1
1016 1 67 GLU HA 1 68 ASP H . . 2.620 2.366 2.310 2.429 . 0 0 "[ . 1 . 2]" 1
1017 1 67 GLU QB 1 68 ASP H . . 3.740 2.476 2.330 2.609 . 0 0 "[ . 1 . 2]" 1
1018 1 67 GLU QB 1 69 ASP H . . 4.650 3.067 2.733 3.175 . 0 0 "[ . 1 . 2]" 1
1019 1 67 GLU QB 1 70 ILE H . . 3.410 2.761 2.502 3.125 . 0 0 "[ . 1 . 2]" 1
1020 1 67 GLU QB 1 71 MET H . . 6.880 4.532 4.351 5.189 . 0 0 "[ . 1 . 2]" 1
1021 1 67 GLU HB2 1 68 ASP H . . 4.340 3.703 3.525 3.836 . 0 0 "[ . 1 . 2]" 1
1022 1 67 GLU HB2 1 70 ILE H . . 3.660 2.866 2.550 3.403 . 0 0 "[ . 1 . 2]" 1
1023 1 67 GLU HB3 1 68 ASP H . . 4.340 2.515 2.358 2.655 . 0 0 "[ . 1 . 2]" 1
1024 1 67 GLU HB3 1 70 ILE H . . 3.660 3.653 3.585 3.741 0.081 4 0 "[ . 1 . 2]" 1
1025 1 67 GLU QG 1 68 ASP H . . 5.540 3.904 3.650 4.219 . 0 0 "[ . 1 . 2]" 1
1026 1 67 GLU HG2 1 68 ASP H . . 5.930 4.129 3.781 4.668 . 0 0 "[ . 1 . 2]" 1
1027 1 67 GLU HG3 1 68 ASP H . . 5.930 4.863 4.302 5.105 . 0 0 "[ . 1 . 2]" 1
1028 1 68 ASP H 1 68 ASP HB2 . . 3.120 2.079 2.070 2.088 . 0 0 "[ . 1 . 2]" 1
1029 1 68 ASP H 1 68 ASP HB3 . . 3.120 3.214 3.192 3.249 0.129 14 0 "[ . 1 . 2]" 1
1030 1 68 ASP H 1 69 ASP H . . 4.160 2.981 2.690 3.061 . 0 0 "[ . 1 . 2]" 1
1031 1 68 ASP H 1 69 ASP HA . . 6.000 5.504 5.274 5.564 . 0 0 "[ . 1 . 2]" 1
1032 1 68 ASP HA 1 70 ILE H . . 6.000 4.221 3.687 4.571 . 0 0 "[ . 1 . 2]" 1
1033 1 68 ASP HB2 1 69 ASP H . . 3.050 3.112 3.084 3.144 0.094 14 0 "[ . 1 . 2]" 1
1034 1 68 ASP HB3 1 69 ASP H . . 3.050 2.418 2.309 2.822 . 0 0 "[ . 1 . 2]" 1
1035 1 69 ASP H 1 69 ASP HB2 . . 3.440 2.415 2.069 3.560 0.120 10 0 "[ . 1 . 2]" 1
1036 1 69 ASP H 1 69 ASP QB . . 3.250 2.174 2.048 2.727 . 0 0 "[ . 1 . 2]" 1
1037 1 69 ASP H 1 69 ASP HB3 . . 3.440 3.066 2.162 3.556 0.116 14 0 "[ . 1 . 2]" 1
1038 1 69 ASP H 1 70 ILE H . . 3.590 2.799 2.725 2.866 . 0 0 "[ . 1 . 2]" 1
1039 1 69 ASP HA 1 69 ASP HB2 . . 3.010 2.727 2.289 3.009 . 0 0 "[ . 1 . 2]" 1
1040 1 69 ASP HA 1 69 ASP HB3 . . 3.010 2.800 2.314 3.021 0.011 2 0 "[ . 1 . 2]" 1
1041 1 69 ASP HA 1 71 MET H . . 5.240 4.287 3.827 4.576 . 0 0 "[ . 1 . 2]" 1
1042 1 69 ASP HA 1 71 MET QB . . 6.090 4.865 4.440 5.269 . 0 0 "[ . 1 . 2]" 1
1043 1 69 ASP HA 1 72 PHE H . . 4.420 3.716 3.442 4.133 . 0 0 "[ . 1 . 2]" 1
1044 1 69 ASP HB2 1 70 ILE H . . 4.130 3.429 2.920 4.109 . 0 0 "[ . 1 . 2]" 1
1045 1 69 ASP HB3 1 70 ILE H . . 4.130 3.154 2.611 4.167 0.037 10 0 "[ . 1 . 2]" 1
1046 1 70 ILE H 1 70 ILE HB . . 3.080 2.360 2.323 2.536 . 0 0 "[ . 1 . 2]" 1
1047 1 70 ILE H 1 70 ILE QG . . 4.790 2.495 2.231 2.696 . 0 0 "[ . 1 . 2]" 1
1048 1 70 ILE H 1 71 MET H . . 3.410 2.595 2.341 2.854 . 0 0 "[ . 1 . 2]" 1
1049 1 70 ILE HA 1 70 ILE MD . . 3.600 1.981 1.943 2.074 . 0 0 "[ . 1 . 2]" 1
1050 1 70 ILE HA 1 73 ALA MB . . 4.030 2.348 2.008 2.625 . 0 0 "[ . 1 . 2]" 1
1051 1 70 ILE HA 1 74 ILE H . . 6.000 3.553 3.253 4.024 . 0 0 "[ . 1 . 2]" 1
1052 1 70 ILE HB 1 71 MET H . . 3.340 2.826 2.583 3.125 . 0 0 "[ . 1 . 2]" 1
1053 1 70 ILE MD 1 71 MET H . . 5.940 4.702 4.450 4.801 . 0 0 "[ . 1 . 2]" 1
1054 1 70 ILE MD 1 73 ALA HA . . 7.020 5.583 5.218 5.748 . 0 0 "[ . 1 . 2]" 1
1055 1 70 ILE QG 1 71 MET H . . 6.120 4.258 4.174 4.380 . 0 0 "[ . 1 . 2]" 1
1056 1 70 ILE MG 1 71 MET H . . 6.190 3.264 2.984 3.763 . 0 0 "[ . 1 . 2]" 1
1057 1 70 ILE MG 1 73 ALA MB . . 7.970 3.291 3.036 3.688 . 0 0 "[ . 1 . 2]" 1
1058 1 71 MET H 1 71 MET HB2 . . 3.770 2.360 2.062 3.480 . 0 0 "[ . 1 . 2]" 1
1059 1 71 MET H 1 71 MET HB3 . . 3.770 3.020 2.141 3.588 . 0 0 "[ . 1 . 2]" 1
1060 1 71 MET H 1 72 PHE H . . 3.700 2.787 2.700 2.849 . 0 0 "[ . 1 . 2]" 1
1061 1 71 MET HA 1 74 ILE H . . 6.000 3.964 3.833 4.145 . 0 0 "[ . 1 . 2]" 1
1062 1 71 MET HA 1 75 GLY H . . 6.000 3.293 3.027 3.721 . 0 0 "[ . 1 . 2]" 1
1063 1 71 MET HB2 1 72 PHE H . . 5.170 3.311 2.497 4.132 . 0 0 "[ . 1 . 2]" 1
1064 1 71 MET HB3 1 72 PHE H . . 5.170 2.858 2.330 3.622 . 0 0 "[ . 1 . 2]" 1
1065 1 71 MET QG 1 72 PHE H . . 6.880 3.879 1.825 4.524 . 0 0 "[ . 1 . 2]" 1
1066 1 72 PHE H 1 72 PHE HB2 . . 3.550 2.872 2.267 3.603 0.053 11 0 "[ . 1 . 2]" 1
1067 1 72 PHE H 1 72 PHE HB3 . . 3.550 2.494 2.380 2.874 . 0 0 "[ . 1 . 2]" 1
1068 1 72 PHE H 1 73 ALA H . . 3.730 2.514 2.429 2.569 . 0 0 "[ . 1 . 2]" 1
1069 1 72 PHE QB 1 73 ALA H . . 3.860 3.031 2.774 3.558 . 0 0 "[ . 1 . 2]" 1
1070 1 72 PHE HB2 1 73 ALA H . . 4.240 4.022 3.719 4.105 . 0 0 "[ . 1 . 2]" 1
1071 1 72 PHE HB3 1 73 ALA H . . 4.240 3.179 2.830 3.919 . 0 0 "[ . 1 . 2]" 1
1072 1 72 PHE QE 1 76 THR MG . . 8.320 3.847 2.553 5.597 . 0 0 "[ . 1 . 2]" 1
1073 1 73 ALA H 1 73 ALA HA . . 2.870 2.858 2.831 2.868 . 0 0 "[ . 1 . 2]" 1
1074 1 73 ALA H 1 74 ILE H . . 3.700 2.729 2.694 2.810 . 0 0 "[ . 1 . 2]" 1
1075 1 73 ALA HA 1 76 THR H . . 4.630 4.071 3.784 4.306 . 0 0 "[ . 1 . 2]" 1
1076 1 73 ALA HA 1 76 THR MG . . 7.020 4.009 2.997 4.447 . 0 0 "[ . 1 . 2]" 1
1077 1 73 ALA HA 1 78 ALA MB . . 3.670 2.493 2.192 2.961 . 0 0 "[ . 1 . 2]" 1
1078 1 73 ALA HA 1 79 LEU H . . 5.240 4.052 3.800 4.409 . 0 0 "[ . 1 . 2]" 1
1079 1 73 ALA MB 1 78 ALA H . . 7.020 4.276 3.630 4.711 . 0 0 "[ . 1 . 2]" 1
1080 1 73 ALA MB 1 78 ALA MB . . 8.040 3.095 2.398 3.664 . 0 0 "[ . 1 . 2]" 1
1081 1 73 ALA MB 1 79 LEU H . . 6.330 3.391 2.720 3.803 . 0 0 "[ . 1 . 2]" 1
1082 1 73 ALA MB 1 79 LEU HA . . 7.020 4.949 4.268 5.466 . 0 0 "[ . 1 . 2]" 1
1083 1 74 ILE H 1 74 ILE HB . . 2.940 2.445 2.342 2.519 . 0 0 "[ . 1 . 2]" 1
1084 1 74 ILE H 1 74 ILE MD . . 4.900 3.714 3.594 3.807 . 0 0 "[ . 1 . 2]" 1
1085 1 74 ILE H 1 74 ILE QG . . 4.680 2.297 2.158 2.505 . 0 0 "[ . 1 . 2]" 1
1086 1 74 ILE H 1 75 GLY H . . 3.520 2.597 2.454 2.776 . 0 0 "[ . 1 . 2]" 1
1087 1 74 ILE HA 1 74 ILE HG12 . . 3.550 2.476 2.409 2.654 . 0 0 "[ . 1 . 2]" 1
1088 1 74 ILE HA 1 74 ILE QG . . 3.290 2.375 2.318 2.594 . 0 0 "[ . 1 . 2]" 1
1089 1 74 ILE HA 1 74 ILE HG13 . . 3.550 3.066 2.893 3.654 0.104 3 0 "[ . 1 . 2]" 1
1090 1 74 ILE HA 1 75 GLY H . . 3.520 3.543 3.505 3.559 0.039 10 0 "[ . 1 . 2]" 1
1091 1 74 ILE HA 1 79 LEU H . . 3.340 3.343 3.198 3.382 0.042 9 0 "[ . 1 . 2]" 1
1092 1 74 ILE HB 1 74 ILE QG . . 2.650 2.334 2.182 2.373 . 0 0 "[ . 1 . 2]" 1
1093 1 74 ILE HB 1 75 GLY H . . 3.440 2.615 2.502 2.829 . 0 0 "[ . 1 . 2]" 1
1094 1 74 ILE MD 1 75 GLY H . . 6.840 4.638 4.499 4.817 . 0 0 "[ . 1 . 2]" 1
1095 1 74 ILE MD 1 81 ALA HA . . 5.110 2.490 2.030 2.906 . 0 0 "[ . 1 . 2]" 1
1096 1 74 ILE MD 1 81 ALA MB . . 5.520 2.403 1.976 3.006 . 0 0 "[ . 1 . 2]" 1
1097 1 74 ILE MD 1 84 ALA MB . . 6.350 2.832 2.480 3.125 . 0 0 "[ . 1 . 2]" 1
1098 1 74 ILE MD 2 1 PLM HF1 . . 5.670 3.800 3.643 3.928 . 0 0 "[ . 1 . 2]" 1
1099 1 74 ILE QG 1 79 LEU H . . 5.010 4.212 4.034 4.337 . 0 0 "[ . 1 . 2]" 1
1100 1 74 ILE QG 1 79 LEU QD . . 6.780 3.768 1.799 4.384 . 0 0 "[ . 1 . 2]" 1
1101 1 74 ILE HG12 1 75 GLY H . . 6.000 4.927 4.524 5.043 . 0 0 "[ . 1 . 2]" 1
1102 1 74 ILE HG13 1 75 GLY H . . 6.000 4.366 4.183 4.962 . 0 0 "[ . 1 . 2]" 1
1103 1 74 ILE MG 1 75 GLY H . . 4.970 3.318 2.960 3.586 . 0 0 "[ . 1 . 2]" 1
1104 1 74 ILE MG 1 79 LEU H . . 6.510 5.116 4.880 5.280 . 0 0 "[ . 1 . 2]" 1
1105 1 74 ILE MG 1 81 ALA MB . . 8.040 2.592 2.176 3.335 . 0 0 "[ . 1 . 2]" 1
1106 1 74 ILE MG 2 1 PLM HF1 . . 4.810 3.089 2.797 3.334 . 0 0 "[ . 1 . 2]" 1
1107 1 75 GLY H 1 75 GLY HA2 . . 2.940 2.759 2.744 2.767 . 0 0 "[ . 1 . 2]" 1
1108 1 75 GLY H 1 75 GLY HA3 . . 2.940 2.298 2.296 2.301 . 0 0 "[ . 1 . 2]" 1
1109 1 75 GLY H 1 76 THR H . . 3.660 2.846 2.800 2.896 . 0 0 "[ . 1 . 2]" 1
1110 1 75 GLY QA 2 1 PLM HC1 . . 4.210 2.865 2.734 2.981 . 0 0 "[ . 1 . 2]" 1
1111 1 75 GLY HA2 2 1 PLM HC1 . . 4.760 2.910 2.765 3.037 . 0 0 "[ . 1 . 2]" 1
1112 1 75 GLY HA3 2 1 PLM HC1 . . 4.760 4.300 4.246 4.341 . 0 0 "[ . 1 . 2]" 1
1113 1 76 THR H 1 76 THR HB . . 3.800 3.537 2.929 3.693 . 0 0 "[ . 1 . 2]" 1
1114 1 76 THR H 1 77 GLY H . . 3.340 2.391 2.285 2.502 . 0 0 "[ . 1 . 2]" 1
1115 1 76 THR H 1 78 ALA H . . 4.450 3.564 3.367 3.818 . 0 0 "[ . 1 . 2]" 1
1116 1 76 THR HA 1 76 THR HB . . 2.870 2.425 2.397 2.468 . 0 0 "[ . 1 . 2]" 1
1117 1 76 THR HB 1 77 GLY H . . 6.000 4.340 4.039 4.527 . 0 0 "[ . 1 . 2]" 1
1118 1 76 THR MG 1 77 GLY H . . 7.020 3.889 2.903 4.225 . 0 0 "[ . 1 . 2]" 1
1119 1 77 GLY H 1 77 GLY HA2 . . 2.900 2.303 2.294 2.339 . 0 0 "[ . 1 . 2]" 1
1120 1 77 GLY H 1 77 GLY HA3 . . 2.900 2.832 2.790 2.908 0.008 19 0 "[ . 1 . 2]" 1
1121 1 77 GLY H 1 78 ALA H . . 3.590 2.615 2.345 2.740 . 0 0 "[ . 1 . 2]" 1
1122 1 77 GLY H 1 78 ALA MB . . 7.020 4.224 3.927 4.369 . 0 0 "[ . 1 . 2]" 1
1123 1 77 GLY H 1 79 LEU H . . 5.170 4.415 4.140 4.590 . 0 0 "[ . 1 . 2]" 1
1124 1 77 GLY QA 1 106 ILE MD . . 7.220 3.877 3.375 4.385 . 0 0 "[ . 1 . 2]" 1
1125 1 77 GLY HA2 1 106 ILE MG . . 4.970 2.278 1.992 2.618 . 0 0 "[ . 1 . 2]" 1
1126 1 77 GLY HA3 1 106 ILE MG . . 4.970 2.336 1.980 2.768 . 0 0 "[ . 1 . 2]" 1
1127 1 78 ALA H 1 78 ALA HA . . 2.830 2.858 2.785 2.918 0.088 10 0 "[ . 1 . 2]" 1
1128 1 78 ALA H 1 79 LEU H . . 3.230 2.526 2.287 2.759 . 0 0 "[ . 1 . 2]" 1
1129 1 79 LEU H 1 79 LEU HB2 . . 4.060 2.691 2.334 3.680 . 0 0 "[ . 1 . 2]" 1
1130 1 79 LEU H 1 79 LEU QB . . 3.740 2.552 2.304 3.131 . 0 0 "[ . 1 . 2]" 1
1131 1 79 LEU H 1 79 LEU HB3 . . 4.060 3.569 3.268 3.742 . 0 0 "[ . 1 . 2]" 1
1132 1 79 LEU HA 1 80 PRO HD2 . . 2.870 2.397 2.265 2.489 . 0 0 "[ . 1 . 2]" 1
1133 1 79 LEU HA 1 80 PRO QD . . 2.600 2.089 2.017 2.143 . 0 0 "[ . 1 . 2]" 1
1134 1 79 LEU HA 1 80 PRO HD3 . . 2.870 2.301 2.262 2.338 . 0 0 "[ . 1 . 2]" 1
1135 1 79 LEU QD 1 80 PRO QD . . 6.060 2.245 1.869 3.267 . 0 0 "[ . 1 . 2]" 1
1136 1 79 LEU QD 1 83 GLU QB . . 7.690 4.313 3.004 4.866 . 0 0 "[ . 1 . 2]" 1
1137 1 79 LEU QD 1 83 GLU QG . . 9.450 5.215 4.122 5.966 . 0 0 "[ . 1 . 2]" 1
1138 1 79 LEU QD 1 84 ALA HA . . 8.570 4.381 2.735 4.854 . 0 0 "[ . 1 . 2]" 1
1139 1 79 LEU MD1 1 80 PRO HD2 . . 7.550 3.771 3.533 4.191 . 0 0 "[ . 1 . 2]" 1
1140 1 79 LEU MD1 1 80 PRO HD3 . . 7.550 4.909 4.557 5.328 . 0 0 "[ . 1 . 2]" 1
1141 1 79 LEU MD1 1 84 ALA H . . 7.020 5.407 4.163 5.873 . 0 0 "[ . 1 . 2]" 1
1142 1 79 LEU MD2 1 80 PRO HD2 . . 7.550 2.427 1.919 4.016 . 0 0 "[ . 1 . 2]" 1
1143 1 79 LEU MD2 1 80 PRO HD3 . . 7.550 3.326 2.568 5.291 . 0 0 "[ . 1 . 2]" 1
1144 1 79 LEU MD2 1 84 ALA H . . 7.020 5.269 3.322 5.647 . 0 0 "[ . 1 . 2]" 1
1145 1 79 LEU HG 1 80 PRO QD . . 5.700 3.918 2.073 4.567 . 0 0 "[ . 1 . 2]" 1
1146 1 80 PRO HA 1 81 ALA H . . 2.540 2.157 2.150 2.195 . 0 0 "[ . 1 . 2]" 1
1147 1 80 PRO HA 1 81 ALA MB . . 7.020 3.954 3.925 4.016 . 0 0 "[ . 1 . 2]" 1
1148 1 80 PRO HA 1 83 GLU H . . 6.000 4.527 4.280 4.670 . 0 0 "[ . 1 . 2]" 1
1149 1 80 PRO QB 1 82 LYS QG . . 7.770 5.119 4.685 5.385 . 0 0 "[ . 1 . 2]" 1
1150 1 80 PRO QB 1 83 GLU H . . 3.550 2.196 2.086 2.267 . 0 0 "[ . 1 . 2]" 1
1151 1 80 PRO QB 1 83 GLU HA . . 6.880 4.532 4.333 4.763 . 0 0 "[ . 1 . 2]" 1
1152 1 80 PRO HB2 1 81 ALA H . . 4.600 3.677 3.501 3.941 . 0 0 "[ . 1 . 2]" 1
1153 1 80 PRO HB2 1 83 GLU H . . 3.950 2.207 2.095 2.280 . 0 0 "[ . 1 . 2]" 1
1154 1 80 PRO HB3 1 81 ALA H . . 4.600 4.101 3.979 4.292 . 0 0 "[ . 1 . 2]" 1
1155 1 80 PRO HB3 1 83 GLU H . . 3.950 3.942 3.834 4.006 0.056 6 0 "[ . 1 . 2]" 1
1156 1 80 PRO QD 1 83 GLU QB . . 7.770 3.539 3.361 3.695 . 0 0 "[ . 1 . 2]" 1
1157 1 80 PRO QD 1 83 GLU QG . . 6.360 4.732 4.607 4.970 . 0 0 "[ . 1 . 2]" 1
1158 1 80 PRO HD2 1 83 GLU HG2 . . 7.760 5.567 5.117 6.684 . 0 0 "[ . 1 . 2]" 1
1159 1 80 PRO HD2 1 83 GLU HG3 . . 7.760 6.236 5.252 6.624 . 0 0 "[ . 1 . 2]" 1
1160 1 80 PRO HD3 1 83 GLU HG2 . . 7.760 6.153 5.692 6.989 . 0 0 "[ . 1 . 2]" 1
1161 1 80 PRO HD3 1 83 GLU HG3 . . 7.760 6.880 5.514 7.363 . 0 0 "[ . 1 . 2]" 1
1162 1 80 PRO QG 1 83 GLU H . . 6.890 3.133 2.826 3.387 . 0 0 "[ . 1 . 2]" 1
1163 1 81 ALA H 1 82 LYS H . . 3.770 2.644 2.587 2.760 . 0 0 "[ . 1 . 2]" 1
1164 1 81 ALA MB 1 82 LYS HA . . 7.020 3.790 3.716 3.909 . 0 0 "[ . 1 . 2]" 1
1165 1 81 ALA MB 1 82 LYS HB2 . . 7.020 4.252 4.063 4.554 . 0 0 "[ . 1 . 2]" 1
1166 1 81 ALA MB 1 82 LYS HB3 . . 7.020 5.323 5.124 5.491 . 0 0 "[ . 1 . 2]" 1
1167 1 81 ALA MB 1 84 ALA H . . 7.020 4.860 4.738 4.965 . 0 0 "[ . 1 . 2]" 1
1168 1 81 ALA MB 2 1 PLM HF1 . . 5.310 3.528 3.166 3.729 . 0 0 "[ . 1 . 2]" 1
1169 1 82 LYS H 1 82 LYS HB2 . . 3.660 2.115 2.061 2.221 . 0 0 "[ . 1 . 2]" 1
1170 1 82 LYS H 1 82 LYS QB . . 3.290 2.087 2.038 2.159 . 0 0 "[ . 1 . 2]" 1
1171 1 82 LYS H 1 82 LYS HB3 . . 3.660 3.230 2.891 3.488 . 0 0 "[ . 1 . 2]" 1
1172 1 82 LYS H 1 83 GLU H . . 3.660 2.722 2.644 2.797 . 0 0 "[ . 1 . 2]" 1
1173 1 82 LYS HA 1 82 LYS HB2 . . 2.980 2.840 2.659 2.976 . 0 0 "[ . 1 . 2]" 1
1174 1 82 LYS HA 1 82 LYS HB3 . . 2.980 2.843 2.669 2.981 0.001 15 0 "[ . 1 . 2]" 1
1175 1 82 LYS HA 1 82 LYS QG . . 3.660 2.151 2.015 2.248 . 0 0 "[ . 1 . 2]" 1
1176 1 82 LYS HA 1 84 ALA H . . 6.000 4.619 4.502 4.755 . 0 0 "[ . 1 . 2]" 1
1177 1 82 LYS HA 1 85 MET H . . 6.000 3.868 3.784 4.038 . 0 0 "[ . 1 . 2]" 1
1178 1 82 LYS HA 1 85 MET HB2 . . 5.060 3.426 3.376 3.534 . 0 0 "[ . 1 . 2]" 1
1179 1 82 LYS HA 1 85 MET QB . . 4.340 3.374 3.330 3.471 . 0 0 "[ . 1 . 2]" 1
1180 1 82 LYS HA 1 85 MET HB3 . . 5.060 5.057 4.883 5.083 0.023 8 0 "[ . 1 . 2]" 1
1181 1 82 LYS HA 1 85 MET QG . . 6.740 4.949 4.703 5.253 . 0 0 "[ . 1 . 2]" 1
1182 1 82 LYS QB 1 83 GLU H . . 3.650 2.395 2.267 2.514 . 0 0 "[ . 1 . 2]" 1
1183 1 82 LYS QB 1 84 ALA H . . 5.760 4.562 4.511 4.662 . 0 0 "[ . 1 . 2]" 1
1184 1 82 LYS HB2 1 83 GLU H . . 4.270 2.963 2.534 3.391 . 0 0 "[ . 1 . 2]" 1
1185 1 82 LYS HB3 1 83 GLU H . . 4.270 2.591 2.303 2.930 . 0 0 "[ . 1 . 2]" 1
1186 1 82 LYS QG 1 83 GLU H . . 6.880 4.214 3.902 4.338 . 0 0 "[ . 1 . 2]" 1
1187 1 83 GLU H 1 83 GLU HA . . 2.940 2.803 2.785 2.826 . 0 0 "[ . 1 . 2]" 1
1188 1 83 GLU H 1 83 GLU QB . . 3.580 2.071 2.042 2.109 . 0 0 "[ . 1 . 2]" 1
1189 1 83 GLU H 1 83 GLU HG2 . . 5.680 4.387 3.465 4.664 . 0 0 "[ . 1 . 2]" 1
1190 1 83 GLU H 1 83 GLU QG . . 5.010 3.825 3.254 4.018 . 0 0 "[ . 1 . 2]" 1
1191 1 83 GLU H 1 83 GLU HG3 . . 5.680 4.262 3.945 4.473 . 0 0 "[ . 1 . 2]" 1
1192 1 83 GLU H 1 84 ALA H . . 3.370 2.724 2.655 2.780 . 0 0 "[ . 1 . 2]" 1
1193 1 83 GLU H 1 84 ALA HA . . 5.750 5.305 5.247 5.350 . 0 0 "[ . 1 . 2]" 1
1194 1 83 GLU H 1 84 ALA MB . . 5.510 4.328 4.216 4.386 . 0 0 "[ . 1 . 2]" 1
1195 1 83 GLU HA 1 84 ALA MB . . 7.020 5.013 4.998 5.024 . 0 0 "[ . 1 . 2]" 1
1196 1 83 GLU HA 1 86 ALA H . . 6.000 3.230 3.201 3.276 . 0 0 "[ . 1 . 2]" 1
1197 1 83 GLU HA 1 86 ALA MB . . 3.890 2.018 1.939 2.094 . 0 0 "[ . 1 . 2]" 1
1198 1 83 GLU HA 1 87 GLN H . . 4.270 4.287 4.265 4.306 0.036 14 0 "[ . 1 . 2]" 1
1199 1 83 GLU QB 1 87 GLN QE . . 7.670 4.023 2.805 5.736 . 0 0 "[ . 1 . 2]" 1
1200 1 83 GLU QG 1 87 GLN QE . . 7.100 3.427 2.285 4.677 . 0 0 "[ . 1 . 2]" 1
1201 1 83 GLU HG2 1 84 ALA H . . 6.000 4.848 4.472 5.034 . 0 0 "[ . 1 . 2]" 1
1202 1 83 GLU HG3 1 84 ALA H . . 6.000 4.759 4.502 5.103 . 0 0 "[ . 1 . 2]" 1
1203 1 84 ALA H 1 85 MET H . . 3.800 2.921 2.911 2.936 . 0 0 "[ . 1 . 2]" 1
1204 1 84 ALA HA 1 87 GLN H . . 5.210 3.974 3.794 4.054 . 0 0 "[ . 1 . 2]" 1
1205 1 84 ALA HA 1 89 LYS H . . 6.000 5.088 4.978 5.287 . 0 0 "[ . 1 . 2]" 1
1206 1 84 ALA HA 1 89 LYS QB . . 6.880 3.627 3.495 3.791 . 0 0 "[ . 1 . 2]" 1
1207 1 84 ALA MB 1 90 MET HB2 . . 7.020 3.882 3.621 4.075 . 0 0 "[ . 1 . 2]" 1
1208 1 84 ALA MB 1 90 MET QB . . 6.250 3.755 3.506 3.935 . 0 0 "[ . 1 . 2]" 1
1209 1 84 ALA MB 1 90 MET HB3 . . 7.020 4.992 4.685 5.246 . 0 0 "[ . 1 . 2]" 1
1210 1 84 ALA MB 1 90 MET QG . . 7.210 4.250 3.973 4.790 . 0 0 "[ . 1 . 2]" 1
1211 1 85 MET H 1 85 MET QB . . 3.760 2.301 2.217 2.365 . 0 0 "[ . 1 . 2]" 1
1212 1 85 MET H 1 85 MET ME . . 4.210 3.288 3.194 3.411 . 0 0 "[ . 1 . 2]" 1
1213 1 85 MET H 1 85 MET QG . . 4.220 2.625 2.461 2.787 . 0 0 "[ . 1 . 2]" 1
1214 1 85 MET H 1 86 ALA H . . 3.550 2.445 2.424 2.488 . 0 0 "[ . 1 . 2]" 1
1215 1 85 MET H 1 90 MET QB . . 5.080 4.121 3.917 4.378 . 0 0 "[ . 1 . 2]" 1
1216 1 85 MET HA 1 85 MET QG . . 3.660 2.391 2.331 2.442 . 0 0 "[ . 1 . 2]" 1
1217 1 85 MET HA 1 90 MET H . . 3.370 2.920 2.174 3.112 . 0 0 "[ . 1 . 2]" 1
1218 1 85 MET HA 1 90 MET HB2 . . 6.000 2.385 2.105 2.866 . 0 0 "[ . 1 . 2]" 1
1219 1 85 MET HA 1 90 MET HB3 . . 6.000 3.813 3.342 4.019 . 0 0 "[ . 1 . 2]" 1
1220 1 85 MET QB 1 86 ALA MB . . 7.320 4.079 4.031 4.124 . 0 0 "[ . 1 . 2]" 1
1221 1 85 MET QB 1 90 MET QB . . 4.490 3.466 3.246 3.612 . 0 0 "[ . 1 . 2]" 1
1222 1 85 MET HB2 1 90 MET HB2 . . 5.490 4.463 4.162 5.051 . 0 0 "[ . 1 . 2]" 1
1223 1 85 MET HB2 1 90 MET HB3 . . 5.490 5.242 4.854 5.499 0.009 11 0 "[ . 1 . 2]" 1
1224 1 85 MET HB3 1 90 MET HB2 . . 5.490 3.934 3.632 4.628 . 0 0 "[ . 1 . 2]" 1
1225 1 85 MET HB3 1 90 MET HB3 . . 5.490 4.505 4.085 4.737 . 0 0 "[ . 1 . 2]" 1
1226 1 85 MET ME 2 1 PLM HF1 . . 5.060 3.434 3.319 3.670 . 0 0 "[ . 1 . 2]" 1
1227 1 85 MET QG 1 86 ALA H . . 6.410 4.341 4.264 4.425 . 0 0 "[ . 1 . 2]" 1
1228 1 86 ALA H 1 86 ALA HA . . 2.940 2.802 2.789 2.840 . 0 0 "[ . 1 . 2]" 1
1229 1 86 ALA H 1 86 ALA MB . . 3.560 2.208 2.032 2.235 . 0 0 "[ . 1 . 2]" 1
1230 1 86 ALA H 1 87 GLN H . . 3.520 2.662 2.539 2.709 . 0 0 "[ . 1 . 2]" 1
1231 1 86 ALA MB 1 87 GLN QG . . 7.570 3.277 2.910 4.547 . 0 0 "[ . 1 . 2]" 1
1232 1 86 ALA MB 1 88 ASP H . . 6.480 4.217 4.186 4.242 . 0 0 "[ . 1 . 2]" 1
1233 1 87 GLN H 1 87 GLN HB2 . . 4.130 2.328 2.159 2.497 . 0 0 "[ . 1 . 2]" 1
1234 1 87 GLN H 1 87 GLN QB . . 3.720 2.299 2.134 2.456 . 0 0 "[ . 1 . 2]" 1
1235 1 87 GLN H 1 87 GLN HB3 . . 4.130 3.557 3.263 3.642 . 0 0 "[ . 1 . 2]" 1
1236 1 87 GLN H 1 87 GLN QG . . 4.360 2.816 2.397 3.861 . 0 0 "[ . 1 . 2]" 1
1237 1 87 GLN H 1 88 ASP H . . 3.440 2.894 2.865 2.937 . 0 0 "[ . 1 . 2]" 1
1238 1 87 GLN H 1 88 ASP HA . . 4.880 4.856 4.823 4.910 0.030 14 0 "[ . 1 . 2]" 1
1239 1 87 GLN H 1 89 LYS H . . 4.490 3.379 3.340 3.420 . 0 0 "[ . 1 . 2]" 1
1240 1 87 GLN HA 1 87 GLN HG2 . . 3.480 2.507 2.147 3.362 . 0 0 "[ . 1 . 2]" 1
1241 1 87 GLN HA 1 87 GLN QG . . 3.100 2.313 2.024 2.492 . 0 0 "[ . 1 . 2]" 1
1242 1 87 GLN HA 1 87 GLN HG3 . . 3.480 2.908 2.041 3.211 . 0 0 "[ . 1 . 2]" 1
1243 1 87 GLN QB 1 89 LYS H . . 6.880 3.229 3.181 3.266 . 0 0 "[ . 1 . 2]" 1
1244 1 87 GLN HB2 1 88 ASP H . . 5.060 4.104 4.053 4.248 . 0 0 "[ . 1 . 2]" 1
1245 1 87 GLN HB3 1 88 ASP H . . 5.060 4.365 4.166 4.460 . 0 0 "[ . 1 . 2]" 1
1246 1 87 GLN HG2 1 88 ASP H . . 6.000 5.245 4.991 5.792 . 0 0 "[ . 1 . 2]" 1
1247 1 87 GLN HG3 1 88 ASP H . . 6.000 5.020 4.773 5.448 . 0 0 "[ . 1 . 2]" 1
1248 1 88 ASP H 1 88 ASP HA . . 2.540 2.286 2.283 2.288 . 0 0 "[ . 1 . 2]" 1
1249 1 88 ASP H 1 89 LYS H . . 3.520 2.811 2.788 2.826 . 0 0 "[ . 1 . 2]" 1
1250 1 88 ASP H 1 89 LYS QG . . 6.410 5.272 4.765 5.735 . 0 0 "[ . 1 . 2]" 1
1251 1 88 ASP HA 1 89 LYS H . . 3.050 2.942 2.922 2.966 . 0 0 "[ . 1 . 2]" 1
1252 1 88 ASP HA 1 90 MET H . . 5.140 3.142 3.023 4.580 . 0 0 "[ . 1 . 2]" 1
1253 1 88 ASP HB2 1 89 LYS H . . 6.000 4.153 4.054 4.466 . 0 0 "[ . 1 . 2]" 1
1254 1 88 ASP HB3 1 89 LYS H . . 6.000 4.364 4.062 4.547 . 0 0 "[ . 1 . 2]" 1
1255 1 89 LYS H 1 89 LYS HB2 . . 4.130 2.206 2.150 2.291 . 0 0 "[ . 1 . 2]" 1
1256 1 89 LYS H 1 89 LYS HB3 . . 4.130 3.385 3.174 3.559 . 0 0 "[ . 1 . 2]" 1
1257 1 89 LYS H 1 89 LYS QG . . 4.790 3.334 2.955 3.647 . 0 0 "[ . 1 . 2]" 1
1258 1 89 LYS H 1 90 MET H . . 3.190 2.456 2.379 2.544 . 0 0 "[ . 1 . 2]" 1
1259 1 89 LYS HA 1 89 LYS QG . . 3.390 2.204 2.036 2.532 . 0 0 "[ . 1 . 2]" 1
1260 1 89 LYS HA 1 90 MET H . . 3.410 3.240 3.157 3.571 0.161 14 0 "[ . 1 . 2]" 1
1261 1 89 LYS HG2 1 90 MET H . . 6.000 5.020 4.723 5.231 . 0 0 "[ . 1 . 2]" 1
1262 1 89 LYS HG3 1 90 MET H . . 6.000 5.502 4.798 5.836 . 0 0 "[ . 1 . 2]" 1
1263 1 90 MET H 1 91 GLU H . . 5.350 4.330 4.292 4.559 . 0 0 "[ . 1 . 2]" 1
1264 1 90 MET HA 1 90 MET HG2 . . 4.160 3.153 2.990 3.548 . 0 0 "[ . 1 . 2]" 1
1265 1 90 MET HA 1 90 MET QG . . 3.970 2.138 2.083 2.257 . 0 0 "[ . 1 . 2]" 1
1266 1 90 MET HA 1 90 MET HG3 . . 4.160 2.176 2.115 2.283 . 0 0 "[ . 1 . 2]" 1
1267 1 90 MET HA 1 91 GLU H . . 2.800 2.270 2.222 2.312 . 0 0 "[ . 1 . 2]" 1
1268 1 90 MET QG 1 91 GLU H . . 3.850 3.445 2.532 3.590 . 0 0 "[ . 1 . 2]" 1
1269 1 90 MET HG2 1 91 GLU H . . 4.060 3.951 3.777 4.155 0.095 14 0 "[ . 1 . 2]" 1
1270 1 90 MET HG3 1 91 GLU H . . 4.060 3.835 2.561 4.065 0.005 4 0 "[ . 1 . 2]" 1
1271 1 91 GLU H 1 91 GLU HB2 . . 3.910 2.693 2.472 3.566 . 0 0 "[ . 1 . 2]" 1
1272 1 91 GLU H 1 91 GLU QB . . 3.530 2.624 2.435 3.141 . 0 0 "[ . 1 . 2]" 1
1273 1 91 GLU H 1 91 GLU HB3 . . 3.910 3.751 3.489 3.818 . 0 0 "[ . 1 . 2]" 1
1274 1 91 GLU H 1 92 VAL H . . 4.340 4.130 4.090 4.162 . 0 0 "[ . 1 . 2]" 1
1275 1 91 GLU HA 1 92 VAL H . . 3.010 2.153 2.151 2.155 . 0 0 "[ . 1 . 2]" 1
1276 1 91 GLU HA 1 92 VAL QG . . 8.570 3.638 3.396 3.788 . 0 0 "[ . 1 . 2]" 1
1277 1 91 GLU QB 1 92 VAL H . . 3.980 3.508 3.483 3.539 . 0 0 "[ . 1 . 2]" 1
1278 1 91 GLU HB2 1 92 VAL H . . 4.420 4.341 3.771 4.484 0.064 8 0 "[ . 1 . 2]" 1
1279 1 91 GLU HB3 1 92 VAL H . . 4.420 3.719 3.681 4.144 . 0 0 "[ . 1 . 2]" 1
1280 1 91 GLU HG2 1 92 VAL H . . 6.000 4.840 4.350 5.575 . 0 0 "[ . 1 . 2]" 1
1281 1 91 GLU HG3 1 92 VAL H . . 6.000 5.300 4.616 5.742 . 0 0 "[ . 1 . 2]" 1
1282 1 92 VAL H 1 92 VAL HB . . 3.700 3.207 2.573 3.770 0.070 19 0 "[ . 1 . 2]" 1
1283 1 92 VAL H 1 93 ASP H . . 5.140 4.429 4.377 4.492 . 0 0 "[ . 1 . 2]" 1
1284 1 92 VAL HA 1 93 ASP H . . 2.440 2.205 2.188 2.230 . 0 0 "[ . 1 . 2]" 1
1285 1 92 VAL HB 1 93 ASP H . . 4.960 3.749 2.871 4.080 . 0 0 "[ . 1 . 2]" 1
1286 1 92 VAL QG 1 93 ASP H . . 4.770 2.532 2.081 3.419 . 0 0 "[ . 1 . 2]" 1
1287 1 92 VAL QG 1 93 ASP HA . . 8.570 3.472 3.208 4.075 . 0 0 "[ . 1 . 2]" 1
1288 1 92 VAL QG 1 96 VAL HA . . 8.210 5.064 4.756 5.545 . 0 0 "[ . 1 . 2]" 1
1289 1 92 VAL MG1 1 93 ASP H . . 5.330 3.522 2.272 3.992 . 0 0 "[ . 1 . 2]" 1
1290 1 92 VAL MG2 1 93 ASP H . . 5.330 3.005 2.090 4.039 . 0 0 "[ . 1 . 2]" 1
1291 1 93 ASP H 1 93 ASP HB2 . . 3.910 2.871 2.842 2.914 . 0 0 "[ . 1 . 2]" 1
1292 1 93 ASP H 1 93 ASP QB . . 3.530 2.798 2.773 2.835 . 0 0 "[ . 1 . 2]" 1
1293 1 93 ASP H 1 93 ASP HB3 . . 3.910 3.868 3.857 3.874 . 0 0 "[ . 1 . 2]" 1
1294 1 93 ASP H 1 94 GLY H . . 5.500 4.112 4.091 4.132 . 0 0 "[ . 1 . 2]" 1
1295 1 93 ASP HA 1 94 GLY H . . 2.830 2.147 2.145 2.149 . 0 0 "[ . 1 . 2]" 1
1296 1 93 ASP QB 1 94 GLY H . . 3.980 3.435 3.417 3.448 . 0 0 "[ . 1 . 2]" 1
1297 1 93 ASP HB2 1 94 GLY H . . 4.130 4.236 4.206 4.257 0.127 10 0 "[ . 1 . 2]" 1
1298 1 93 ASP HB3 1 94 GLY H . . 4.130 3.632 3.613 3.650 . 0 0 "[ . 1 . 2]" 1
1299 1 94 GLY QA 1 95 GLN H . . 2.570 2.263 2.262 2.265 . 0 0 "[ . 1 . 2]" 1
1300 1 94 GLY HA2 1 95 GLN H . . 2.800 2.424 2.419 2.429 . 0 0 "[ . 1 . 2]" 1
1301 1 94 GLY HA3 1 95 GLN H . . 2.800 2.712 2.708 2.718 . 0 0 "[ . 1 . 2]" 1
1302 1 95 GLN H 1 95 GLN HB2 . . 3.300 2.121 2.062 2.453 . 0 0 "[ . 1 . 2]" 1
1303 1 95 GLN H 1 95 GLN QB . . 3.070 2.078 2.040 2.242 . 0 0 "[ . 1 . 2]" 1
1304 1 95 GLN H 1 95 GLN HB3 . . 3.300 3.100 2.593 3.306 0.006 9 0 "[ . 1 . 2]" 1
1305 1 95 GLN H 1 95 GLN HG2 . . 4.810 4.098 3.455 4.602 . 0 0 "[ . 1 . 2]" 1
1306 1 95 GLN H 1 95 GLN QG . . 4.640 3.746 3.321 4.057 . 0 0 "[ . 1 . 2]" 1
1307 1 95 GLN H 1 95 GLN HG3 . . 4.810 4.395 3.938 4.562 . 0 0 "[ . 1 . 2]" 1
1308 1 95 GLN H 1 96 VAL H . . 4.450 4.475 4.444 4.530 0.080 10 0 "[ . 1 . 2]" 1
1309 1 95 GLN H 1 98 LEU HB2 . . 6.000 3.427 3.023 3.787 . 0 0 "[ . 1 . 2]" 1
1310 1 95 GLN H 1 98 LEU HB3 . . 6.000 4.651 4.124 5.080 . 0 0 "[ . 1 . 2]" 1
1311 1 95 GLN HA 1 95 GLN QE . . 4.450 2.904 1.944 4.026 . 0 0 "[ . 1 . 2]" 1
1312 1 95 GLN HA 1 95 GLN QG . . 3.940 2.538 2.030 2.820 . 0 0 "[ . 1 . 2]" 1
1313 1 95 GLN HA 1 96 VAL H . . 2.400 2.140 2.139 2.146 . 0 0 "[ . 1 . 2]" 1
1314 1 95 GLN HA 1 97 GLU H . . 4.990 4.003 3.849 4.214 . 0 0 "[ . 1 . 2]" 1
1315 1 95 GLN QB 1 97 GLU QB . . 5.310 3.380 3.049 3.868 . 0 0 "[ . 1 . 2]" 1
1316 1 95 GLN QB 1 98 LEU H . . 5.370 2.150 1.948 2.417 . 0 0 "[ . 1 . 2]" 1
1317 1 95 GLN QB 1 98 LEU QD . . 5.580 1.924 1.831 2.118 . 0 0 "[ . 1 . 2]" 1
1318 1 95 GLN QB 1 98 LEU HG . . 4.220 2.134 1.875 2.964 . 0 0 "[ . 1 . 2]" 1
1319 1 95 GLN HB2 1 96 VAL H . . 6.000 4.517 4.286 4.568 . 0 0 "[ . 1 . 2]" 1
1320 1 95 GLN HB2 1 98 LEU MD1 . . 7.480 2.494 1.935 4.786 . 0 0 "[ . 1 . 2]" 1
1321 1 95 GLN HB2 1 98 LEU MD2 . . 7.480 3.894 2.748 4.886 . 0 0 "[ . 1 . 2]" 1
1322 1 95 GLN HB3 1 96 VAL H . . 6.000 3.929 3.752 4.191 . 0 0 "[ . 1 . 2]" 1
1323 1 95 GLN HB3 1 98 LEU MD1 . . 7.480 2.867 1.980 4.334 . 0 0 "[ . 1 . 2]" 1
1324 1 95 GLN HB3 1 98 LEU MD2 . . 7.480 3.409 1.941 4.302 . 0 0 "[ . 1 . 2]" 1
1325 1 95 GLN QE 1 96 VAL QG . . 9.430 3.735 3.054 4.452 . 0 0 "[ . 1 . 2]" 1
1326 1 95 GLN HE21 1 96 VAL HB . . 6.000 4.498 3.511 5.616 . 0 0 "[ . 1 . 2]" 1
1327 1 95 GLN HE22 1 96 VAL HB . . 6.000 4.962 3.319 6.009 0.009 7 0 "[ . 1 . 2]" 1
1328 1 95 GLN QG 1 97 GLU QB . . 5.310 3.280 2.445 4.061 . 0 0 "[ . 1 . 2]" 1
1329 1 95 GLN QG 1 98 LEU HG . . 6.880 3.468 2.998 4.028 . 0 0 "[ . 1 . 2]" 1
1330 1 95 GLN HG2 1 96 VAL H . . 6.000 4.508 3.320 5.016 . 0 0 "[ . 1 . 2]" 1
1331 1 95 GLN HG3 1 96 VAL H . . 6.000 4.053 2.630 5.089 . 0 0 "[ . 1 . 2]" 1
1332 1 96 VAL H 1 96 VAL HA . . 2.900 2.711 2.707 2.718 . 0 0 "[ . 1 . 2]" 1
1333 1 96 VAL H 1 96 VAL HB . . 2.870 2.683 2.628 2.733 . 0 0 "[ . 1 . 2]" 1
1334 1 96 VAL H 1 97 GLU H . . 3.910 2.968 2.919 3.041 . 0 0 "[ . 1 . 2]" 1
1335 1 96 VAL HB 1 97 GLU H . . 3.520 2.505 2.335 2.669 . 0 0 "[ . 1 . 2]" 1
1336 1 96 VAL QG 1 97 GLU H . . 5.550 3.167 3.005 3.274 . 0 0 "[ . 1 . 2]" 1
1337 1 96 VAL QG 1 97 GLU HA . . 7.670 3.445 3.269 3.655 . 0 0 "[ . 1 . 2]" 1
1338 1 96 VAL MG1 1 97 GLU H . . 5.940 3.406 3.164 3.580 . 0 0 "[ . 1 . 2]" 1
1339 1 96 VAL MG1 1 99 ILE MD . . 8.040 2.837 2.439 3.125 . 0 0 "[ . 1 . 2]" 1
1340 1 96 VAL MG2 1 97 GLU H . . 5.940 3.773 3.716 3.865 . 0 0 "[ . 1 . 2]" 1
1341 1 96 VAL MG2 1 99 ILE MD . . 8.040 3.531 3.310 4.134 . 0 0 "[ . 1 . 2]" 1
1342 1 97 GLU H 1 97 GLU HA . . 2.940 2.796 2.779 2.832 . 0 0 "[ . 1 . 2]" 1
1343 1 97 GLU H 1 97 GLU HB2 . . 3.550 2.110 2.061 2.243 . 0 0 "[ . 1 . 2]" 1
1344 1 97 GLU H 1 97 GLU HB3 . . 3.550 3.380 3.245 3.527 . 0 0 "[ . 1 . 2]" 1
1345 1 97 GLU H 1 97 GLU HG2 . . 4.780 3.865 3.264 4.359 . 0 0 "[ . 1 . 2]" 1
1346 1 97 GLU H 1 97 GLU QG . . 4.070 3.185 2.687 3.595 . 0 0 "[ . 1 . 2]" 1
1347 1 97 GLU H 1 97 GLU HG3 . . 4.780 3.467 2.736 4.071 . 0 0 "[ . 1 . 2]" 1
1348 1 97 GLU H 1 98 LEU H . . 3.730 2.789 2.659 2.850 . 0 0 "[ . 1 . 2]" 1
1349 1 97 GLU H 1 100 PHE QD . . 8.130 5.689 4.641 6.093 . 0 0 "[ . 1 . 2]" 1
1350 1 97 GLU HA 1 97 GLU HG2 . . 4.160 2.302 2.020 3.437 . 0 0 "[ . 1 . 2]" 1
1351 1 97 GLU HA 1 97 GLU QG . . 3.480 2.130 2.000 2.317 . 0 0 "[ . 1 . 2]" 1
1352 1 97 GLU HA 1 97 GLU HG3 . . 4.160 2.988 2.103 3.536 . 0 0 "[ . 1 . 2]" 1
1353 1 97 GLU QB 1 100 PHE QD . . 9.010 5.090 4.520 5.694 . 0 0 "[ . 1 . 2]" 1
1354 1 97 GLU HB2 1 98 LEU H . . 5.280 2.879 2.588 3.095 . 0 0 "[ . 1 . 2]" 1
1355 1 97 GLU HB3 1 98 LEU H . . 5.280 2.875 2.642 3.175 . 0 0 "[ . 1 . 2]" 1
1356 1 97 GLU QG 1 98 LEU H . . 5.140 4.339 4.257 4.410 . 0 0 "[ . 1 . 2]" 1
1357 1 97 GLU HG2 1 98 LEU H . . 5.390 4.852 4.684 4.997 . 0 0 "[ . 1 . 2]" 1
1358 1 97 GLU HG3 1 98 LEU H . . 5.390 4.898 4.618 5.048 . 0 0 "[ . 1 . 2]" 1
1359 1 98 LEU H 1 98 LEU HB2 . . 3.800 2.378 2.146 2.538 . 0 0 "[ . 1 . 2]" 1
1360 1 98 LEU H 1 98 LEU QB . . 3.500 2.343 2.126 2.489 . 0 0 "[ . 1 . 2]" 1
1361 1 98 LEU H 1 98 LEU HB3 . . 3.800 3.562 3.466 3.590 . 0 0 "[ . 1 . 2]" 1
1362 1 98 LEU H 1 98 LEU HG . . 3.700 2.673 2.159 3.728 0.028 10 0 "[ . 1 . 2]" 1
1363 1 98 LEU H 1 99 ILE H . . 3.520 2.979 2.974 2.988 . 0 0 "[ . 1 . 2]" 1
1364 1 98 LEU H 1 100 PHE H . . 5.570 3.870 3.805 3.936 . 0 0 "[ . 1 . 2]" 1
1365 1 98 LEU H 1 101 LEU QD . . 8.570 4.128 3.525 4.524 . 0 0 "[ . 1 . 2]" 1
1366 1 98 LEU HA 1 101 LEU H . . 6.000 3.748 3.607 3.877 . 0 0 "[ . 1 . 2]" 1
1367 1 98 LEU HA 1 101 LEU QD . . 8.030 2.724 1.870 3.607 . 0 0 "[ . 1 . 2]" 1
1368 1 98 LEU HA 1 101 LEU HG . . 3.730 3.545 1.990 3.790 0.060 7 0 "[ . 1 . 2]" 1
1369 1 98 LEU QB 1 99 ILE MG . . 6.130 3.036 2.882 3.120 . 0 0 "[ . 1 . 2]" 1
1370 1 98 LEU QD 1 101 LEU QD . . 11.130 3.214 2.100 4.142 . 0 0 "[ . 1 . 2]" 1
1371 1 98 LEU HG 1 99 ILE H . . 5.500 4.530 4.294 4.813 . 0 0 "[ . 1 . 2]" 1
1372 1 99 ILE H 1 99 ILE HB . . 3.440 3.621 3.617 3.625 0.185 19 0 "[ . 1 . 2]" 1
1373 1 99 ILE H 1 99 ILE MD . . 4.610 3.696 3.429 3.815 . 0 0 "[ . 1 . 2]" 1
1374 1 99 ILE H 1 99 ILE MG . . 4.390 2.356 2.209 2.482 . 0 0 "[ . 1 . 2]" 1
1375 1 99 ILE H 1 100 PHE H . . 3.550 2.519 2.496 2.565 . 0 0 "[ . 1 . 2]" 1
1376 1 99 ILE HA 1 99 ILE HB . . 2.690 2.455 2.431 2.479 . 0 0 "[ . 1 . 2]" 1
1377 1 99 ILE HA 1 101 LEU H . . 6.000 3.698 3.582 3.856 . 0 0 "[ . 1 . 2]" 1
1378 1 99 ILE HA 1 102 LEU H . . 6.000 3.582 3.464 3.766 . 0 0 "[ . 1 . 2]" 1
1379 1 99 ILE HA 1 102 LEU QD . . 8.570 3.511 3.188 3.919 . 0 0 "[ . 1 . 2]" 1
1380 1 99 ILE HA 2 1 PLM HF1 . . 4.870 4.214 4.045 4.300 . 0 0 "[ . 1 . 2]" 1
1381 1 99 ILE HB 1 100 PHE H . . 4.780 3.993 3.880 4.114 . 0 0 "[ . 1 . 2]" 1
1382 1 99 ILE HB 2 1 PLM HF1 . . 5.480 3.713 3.339 3.851 . 0 0 "[ . 1 . 2]" 1
1383 1 99 ILE MD 1 100 PHE H . . 7.020 3.761 2.525 4.176 . 0 0 "[ . 1 . 2]" 1
1384 1 99 ILE MD 1 100 PHE QD . . 9.150 4.028 2.718 5.199 . 0 0 "[ . 1 . 2]" 1
1385 1 99 ILE MD 2 1 PLM HF1 . . 6.460 4.614 4.230 4.756 . 0 0 "[ . 1 . 2]" 1
1386 1 99 ILE QG 1 100 PHE H . . 6.880 2.345 2.229 2.591 . 0 0 "[ . 1 . 2]" 1
1387 1 99 ILE QG 1 100 PHE QD . . 9.010 3.899 1.974 5.285 . 0 0 "[ . 1 . 2]" 1
1388 1 99 ILE MG 1 100 PHE H . . 7.020 4.030 3.996 4.106 . 0 0 "[ . 1 . 2]" 1
1389 1 99 ILE MG 2 1 PLM HF1 . . 5.810 4.121 3.860 4.238 . 0 0 "[ . 1 . 2]" 1
1390 1 100 PHE H 1 100 PHE HB2 . . 3.950 2.467 2.100 2.726 . 0 0 "[ . 1 . 2]" 1
1391 1 100 PHE H 1 100 PHE QB . . 3.620 2.219 2.075 2.294 . 0 0 "[ . 1 . 2]" 1
1392 1 100 PHE H 1 100 PHE HB3 . . 3.950 2.769 2.408 3.391 . 0 0 "[ . 1 . 2]" 1
1393 1 100 PHE H 1 101 LEU H . . 3.620 2.453 2.321 2.550 . 0 0 "[ . 1 . 2]" 1
1394 1 100 PHE HA 1 103 GLU H . . 4.340 3.299 3.253 3.342 . 0 0 "[ . 1 . 2]" 1
1395 1 100 PHE HA 1 103 GLU HG2 . . 3.980 4.002 3.982 4.019 0.039 3 0 "[ . 1 . 2]" 1
1396 1 100 PHE HA 1 103 GLU QG . . 3.700 2.408 2.307 2.548 . 0 0 "[ . 1 . 2]" 1
1397 1 100 PHE HA 1 103 GLU HG3 . . 3.980 2.427 2.322 2.577 . 0 0 "[ . 1 . 2]" 1
1398 1 100 PHE HB2 1 101 LEU H . . 6.000 3.987 3.472 4.258 . 0 0 "[ . 1 . 2]" 1
1399 1 100 PHE HB3 1 101 LEU H . . 6.000 3.375 3.148 3.717 . 0 0 "[ . 1 . 2]" 1
1400 1 101 LEU H 1 101 LEU HB2 . . 3.590 2.210 2.077 2.667 . 0 0 "[ . 1 . 2]" 1
1401 1 101 LEU H 1 101 LEU QB . . 3.390 2.185 2.057 2.600 . 0 0 "[ . 1 . 2]" 1
1402 1 101 LEU H 1 101 LEU HB3 . . 3.590 3.465 3.329 3.599 0.009 18 0 "[ . 1 . 2]" 1
1403 1 101 LEU H 1 101 LEU HG . . 4.130 3.411 2.130 4.147 0.017 13 0 "[ . 1 . 2]" 1
1404 1 101 LEU H 1 102 LEU H . . 4.200 2.470 2.451 2.504 . 0 0 "[ . 1 . 2]" 1
1405 1 101 LEU QB 1 102 LEU H . . 3.710 2.749 2.578 2.845 . 0 0 "[ . 1 . 2]" 1
1406 1 101 LEU QB 1 105 PHE QE . . 9.010 4.127 2.890 6.187 . 0 0 "[ . 1 . 2]" 1
1407 1 101 LEU HB2 1 102 LEU H . . 4.090 2.926 2.618 3.111 . 0 0 "[ . 1 . 2]" 1
1408 1 101 LEU HB3 1 102 LEU H . . 4.090 3.429 3.072 3.856 . 0 0 "[ . 1 . 2]" 1
1409 1 101 LEU QD 1 102 LEU H . . 7.710 4.053 3.953 4.226 . 0 0 "[ . 1 . 2]" 1
1410 1 101 LEU QD 1 103 GLU H . . 8.570 4.874 4.603 5.286 . 0 0 "[ . 1 . 2]" 1
1411 1 101 LEU QD 1 105 PHE QE . . 10.700 3.878 2.667 5.861 . 0 0 "[ . 1 . 2]" 1
1412 1 101 LEU HG 1 102 LEU H . . 6.000 4.911 3.961 5.301 . 0 0 "[ . 1 . 2]" 1
1413 1 102 LEU H 1 102 LEU HB2 . . 3.370 2.201 2.163 2.276 . 0 0 "[ . 1 . 2]" 1
1414 1 102 LEU H 1 102 LEU QB . . 3.180 2.179 2.141 2.251 . 0 0 "[ . 1 . 2]" 1
1415 1 102 LEU H 1 102 LEU HB3 . . 3.370 3.494 3.440 3.555 0.185 18 0 "[ . 1 . 2]" 1
1416 1 102 LEU H 1 103 GLU H . . 3.520 2.394 2.355 2.438 . 0 0 "[ . 1 . 2]" 1
1417 1 102 LEU HA 1 102 LEU HG . . 3.880 2.615 2.385 2.719 . 0 0 "[ . 1 . 2]" 1
1418 1 102 LEU HA 1 105 PHE H . . 3.880 3.320 3.259 3.378 . 0 0 "[ . 1 . 2]" 1
1419 1 102 LEU HA 1 105 PHE QD . . 5.280 2.751 1.952 4.126 . 0 0 "[ . 1 . 2]" 1
1420 1 102 LEU HA 1 106 ILE H . . 4.850 4.581 4.489 4.808 . 0 0 "[ . 1 . 2]" 1
1421 1 102 LEU HA 2 1 PLM H71 . . 4.180 2.968 2.302 3.322 . 0 0 "[ . 1 . 2]" 1
1422 1 102 LEU QB 1 103 GLU H . . 4.320 3.255 3.158 3.331 . 0 0 "[ . 1 . 2]" 1
1423 1 102 LEU QB 2 1 PLM HE1 . . 4.200 2.256 1.914 2.663 . 0 0 "[ . 1 . 2]" 1
1424 1 102 LEU HB2 1 103 GLU H . . 4.600 3.472 3.343 3.599 . 0 0 "[ . 1 . 2]" 1
1425 1 102 LEU HB2 2 1 PLM HA1 . . 4.470 3.528 3.307 3.635 . 0 0 "[ . 1 . 2]" 1
1426 1 102 LEU HB2 2 1 PLM HE1 . . 4.400 3.151 2.167 3.532 . 0 0 "[ . 1 . 2]" 1
1427 1 102 LEU HB3 1 103 GLU H . . 4.600 3.939 3.879 4.085 . 0 0 "[ . 1 . 2]" 1
1428 1 102 LEU HB3 2 1 PLM HA1 . . 4.470 2.273 1.982 2.469 . 0 0 "[ . 1 . 2]" 1
1429 1 102 LEU HB3 2 1 PLM HE1 . . 4.400 2.321 2.034 2.821 . 0 0 "[ . 1 . 2]" 1
1430 1 102 LEU QD 1 105 PHE QB . . 8.770 3.640 3.303 3.874 . 0 0 "[ . 1 . 2]" 1
1431 1 102 LEU QD 1 105 PHE QD . . 9.330 3.102 2.048 4.446 . 0 0 "[ . 1 . 2]" 1
1432 1 102 LEU QD 1 105 PHE QE . . 10.700 3.807 2.748 5.261 . 0 0 "[ . 1 . 2]" 1
1433 1 102 LEU QD 2 1 PLM H51 . . 6.320 2.133 1.776 3.460 . 0 0 "[ . 1 . 2]" 1
1434 1 102 LEU QD 2 1 PLM H61 . . 4.700 1.980 1.841 2.216 . 0 0 "[ . 1 . 2]" 1
1435 1 102 LEU QD 2 1 PLM H71 . . 7.620 2.656 2.181 2.966 . 0 0 "[ . 1 . 2]" 1
1436 1 102 LEU QD 2 1 PLM H81 . . 9.020 2.400 1.968 2.766 . 0 0 "[ . 1 . 2]" 1
1437 1 102 LEU QD 2 1 PLM HA1 . . 6.750 2.000 1.864 2.114 . 0 0 "[ . 1 . 2]" 1
1438 1 102 LEU MD1 1 103 GLU H . . 7.020 4.203 4.085 4.307 . 0 0 "[ . 1 . 2]" 1
1439 1 102 LEU MD1 2 1 PLM H61 . . 5.090 2.231 1.953 3.351 . 0 0 "[ . 1 . 2]" 1
1440 1 102 LEU MD2 1 103 GLU H . . 7.020 5.178 5.073 5.335 . 0 0 "[ . 1 . 2]" 1
1441 1 102 LEU MD2 2 1 PLM H61 . . 5.090 2.407 1.910 2.861 . 0 0 "[ . 1 . 2]" 1
1442 1 102 LEU HG 1 103 GLU H . . 6.000 5.401 5.212 5.460 . 0 0 "[ . 1 . 2]" 1
1443 1 102 LEU HG 1 105 PHE QB . . 4.180 3.544 3.265 3.754 . 0 0 "[ . 1 . 2]" 1
1444 1 102 LEU HG 1 105 PHE QD . . 8.130 3.654 2.704 4.834 . 0 0 "[ . 1 . 2]" 1
1445 1 103 GLU H 1 103 GLU HB2 . . 3.370 2.158 2.107 2.196 . 0 0 "[ . 1 . 2]" 1
1446 1 103 GLU H 1 103 GLU HB3 . . 3.370 3.468 3.411 3.500 0.130 3 0 "[ . 1 . 2]" 1
1447 1 103 GLU H 1 103 GLU HG2 . . 4.340 3.942 3.840 4.067 . 0 0 "[ . 1 . 2]" 1
1448 1 103 GLU H 1 103 GLU QG . . 4.000 2.913 2.791 3.084 . 0 0 "[ . 1 . 2]" 1
1449 1 103 GLU H 1 103 GLU HG3 . . 4.340 3.001 2.866 3.200 . 0 0 "[ . 1 . 2]" 1
1450 1 103 GLU H 1 104 PRO HD2 . . 4.020 1.944 1.892 2.031 . 0 0 "[ . 1 . 2]" 1
1451 1 103 GLU H 1 104 PRO QD . . 3.650 1.917 1.865 2.001 . 0 0 "[ . 1 . 2]" 1
1452 1 103 GLU H 1 104 PRO HD3 . . 4.020 2.929 2.816 3.027 . 0 0 "[ . 1 . 2]" 1
1453 1 103 GLU HA 1 106 ILE H . . 5.600 3.605 3.484 3.691 . 0 0 "[ . 1 . 2]" 1
1454 1 103 GLU HA 1 106 ILE HB . . 3.950 3.716 3.464 3.928 . 0 0 "[ . 1 . 2]" 1
1455 1 103 GLU HA 1 106 ILE MD . . 4.540 1.990 1.865 3.734 . 0 0 "[ . 1 . 2]" 1
1456 1 103 GLU HA 2 1 PLM HE1 . . 4.220 3.140 3.044 3.246 . 0 0 "[ . 1 . 2]" 1
1457 1 103 GLU QB 1 103 GLU QG . . 2.440 2.082 2.078 2.086 . 0 0 "[ . 1 . 2]" 1
1458 1 103 GLU QB 1 104 PRO QD . . 3.760 1.930 1.869 1.989 . 0 0 "[ . 1 . 2]" 1
1459 1 103 GLU QB 1 106 ILE MD . . 7.900 3.618 3.465 5.322 . 0 0 "[ . 1 . 2]" 1
1460 1 103 GLU QB 2 1 PLM HE1 . . 5.950 4.792 4.739 4.841 . 0 0 "[ . 1 . 2]" 1
1461 1 103 GLU HB2 1 104 PRO HD2 . . 4.420 2.654 2.566 2.762 . 0 0 "[ . 1 . 2]" 1
1462 1 103 GLU HB2 1 104 PRO HD3 . . 4.420 2.059 1.976 2.165 . 0 0 "[ . 1 . 2]" 1
1463 1 103 GLU HB2 2 1 PLM HE1 . . 6.160 5.296 5.224 5.357 . 0 0 "[ . 1 . 2]" 1
1464 1 103 GLU HB3 1 104 PRO HD2 . . 4.420 3.609 3.473 3.749 . 0 0 "[ . 1 . 2]" 1
1465 1 103 GLU HB3 1 104 PRO HD3 . . 4.420 2.666 2.493 2.849 . 0 0 "[ . 1 . 2]" 1
1466 1 103 GLU HB3 2 1 PLM HE1 . . 6.160 5.471 5.405 5.541 . 0 0 "[ . 1 . 2]" 1
1467 1 103 GLU QG 1 104 PRO QD . . 6.820 3.695 3.641 3.760 . 0 0 "[ . 1 . 2]" 1
1468 1 103 GLU QG 2 1 PLM HE1 . . 4.510 3.741 3.700 3.789 . 0 0 "[ . 1 . 2]" 1
1469 1 103 GLU HG2 1 104 PRO HD2 . . 7.760 5.097 5.051 5.151 . 0 0 "[ . 1 . 2]" 1
1470 1 103 GLU HG2 1 104 PRO HD3 . . 7.760 4.781 4.727 4.875 . 0 0 "[ . 1 . 2]" 1
1471 1 103 GLU HG2 1 106 ILE MD . . 7.020 2.881 2.661 4.581 . 0 0 "[ . 1 . 2]" 1
1472 1 103 GLU HG2 2 1 PLM HE1 . . 4.760 4.146 4.046 4.261 . 0 0 "[ . 1 . 2]" 1
1473 1 103 GLU HG3 1 104 PRO HD2 . . 7.760 4.524 4.431 4.660 . 0 0 "[ . 1 . 2]" 1
1474 1 103 GLU HG3 1 104 PRO HD3 . . 7.760 4.414 4.338 4.519 . 0 0 "[ . 1 . 2]" 1
1475 1 103 GLU HG3 1 106 ILE MD . . 7.020 3.718 3.468 5.444 . 0 0 "[ . 1 . 2]" 1
1476 1 103 GLU HG3 2 1 PLM HE1 . . 4.760 4.259 4.171 4.300 . 0 0 "[ . 1 . 2]" 1
1477 1 104 PRO QB 1 105 PHE H . . 4.390 3.587 3.560 3.614 . 0 0 "[ . 1 . 2]" 1
1478 1 104 PRO QB 1 105 PHE QD . . 9.010 3.440 2.857 4.671 . 0 0 "[ . 1 . 2]" 1
1479 1 104 PRO QB 1 105 PHE QE . . 9.010 4.032 3.438 5.398 . 0 0 "[ . 1 . 2]" 1
1480 1 104 PRO QD 1 105 PHE QD . . 9.020 4.099 2.701 4.559 . 0 0 "[ . 1 . 2]" 1
1481 1 104 PRO HD2 1 105 PHE H . . 5.280 2.841 2.813 2.872 . 0 0 "[ . 1 . 2]" 1
1482 1 104 PRO HD3 1 105 PHE H . . 5.280 3.945 3.930 3.962 . 0 0 "[ . 1 . 2]" 1
1483 1 104 PRO QG 1 105 PHE HZ . . 6.890 4.751 3.776 5.991 . 0 0 "[ . 1 . 2]" 1
1484 1 105 PHE H 1 105 PHE HB2 . . 3.880 2.394 2.221 2.572 . 0 0 "[ . 1 . 2]" 1
1485 1 105 PHE H 1 105 PHE QB . . 3.670 2.360 2.196 2.526 . 0 0 "[ . 1 . 2]" 1
1486 1 105 PHE H 1 105 PHE HB3 . . 3.880 3.592 3.452 3.684 . 0 0 "[ . 1 . 2]" 1
1487 1 105 PHE H 1 106 ILE H . . 3.440 2.165 2.105 2.211 . 0 0 "[ . 1 . 2]" 1
1488 1 105 PHE H 1 106 ILE HB . . 4.270 4.318 4.240 4.357 0.087 13 0 "[ . 1 . 2]" 1
1489 1 105 PHE QB 2 1 PLM H71 . . 4.000 2.459 2.033 2.875 . 0 0 "[ . 1 . 2]" 1
1490 1 105 PHE HB2 1 106 ILE H . . 6.000 3.247 3.169 3.397 . 0 0 "[ . 1 . 2]" 1
1491 1 105 PHE HB2 2 1 PLM H71 . . 4.220 2.756 2.328 3.325 . 0 0 "[ . 1 . 2]" 1
1492 1 105 PHE HB3 1 106 ILE H . . 6.000 3.953 3.702 4.145 . 0 0 "[ . 1 . 2]" 1
1493 1 105 PHE HB3 2 1 PLM H71 . . 4.220 2.775 2.223 3.146 . 0 0 "[ . 1 . 2]" 1
1494 1 105 PHE QD 1 106 ILE QG . . 9.010 5.643 5.455 5.998 . 0 0 "[ . 1 . 2]" 1
1495 1 106 ILE H 1 106 ILE HB . . 2.830 2.388 2.364 2.424 . 0 0 "[ . 1 . 2]" 1
1496 1 106 ILE H 1 106 ILE MD . . 5.540 3.323 3.149 3.822 . 0 0 "[ . 1 . 2]" 1
1497 1 106 ILE H 1 106 ILE HG12 . . 5.140 3.784 2.409 3.925 . 0 0 "[ . 1 . 2]" 1
1498 1 106 ILE H 1 106 ILE QG . . 4.420 2.428 2.336 2.499 . 0 0 "[ . 1 . 2]" 1
1499 1 106 ILE H 1 106 ILE HG13 . . 5.140 2.508 2.361 3.468 . 0 0 "[ . 1 . 2]" 1
1500 1 106 ILE H 1 107 ALA H . . 3.840 2.809 2.741 3.022 . 0 0 "[ . 1 . 2]" 1
1501 1 106 ILE HA 1 106 ILE QG . . 3.630 2.321 2.290 2.470 . 0 0 "[ . 1 . 2]" 1
1502 1 106 ILE HA 2 1 PLM H91 . . 3.890 3.512 3.320 3.661 . 0 0 "[ . 1 . 2]" 1
1503 1 106 ILE HB 1 107 ALA H . . 3.480 2.661 2.462 3.009 . 0 0 "[ . 1 . 2]" 1
1504 1 106 ILE MD 1 107 ALA H . . 7.020 4.449 4.308 4.703 . 0 0 "[ . 1 . 2]" 1
1505 1 106 ILE MD 2 1 PLM HE1 . . 4.560 1.829 1.741 1.995 . 0 0 "[ . 1 . 2]" 1
1506 1 106 ILE QG 1 107 ALA H . . 6.880 4.247 4.124 4.362 . 0 0 "[ . 1 . 2]" 1
1507 1 106 ILE QG 2 1 PLM HE1 . . 4.670 2.234 2.032 2.429 . 0 0 "[ . 1 . 2]" 1
1508 1 106 ILE HG12 2 1 PLM HE1 . . 5.010 2.523 2.329 2.667 . 0 0 "[ . 1 . 2]" 1
1509 1 106 ILE HG13 2 1 PLM HE1 . . 5.010 2.508 2.219 3.144 . 0 0 "[ . 1 . 2]" 1
1510 1 106 ILE MG 1 107 ALA H . . 6.260 3.071 2.762 3.379 . 0 0 "[ . 1 . 2]" 1
1511 1 106 ILE MG 1 107 ALA HA . . 6.230 3.118 2.980 3.304 . 0 0 "[ . 1 . 2]" 1
1512 1 107 ALA H 1 108 SER H . . 3.800 2.686 2.602 2.776 . 0 0 "[ . 1 . 2]" 1
1513 1 107 ALA HA 1 109 LEU H . . 4.960 3.881 3.704 4.551 . 0 0 "[ . 1 . 2]" 1
1514 1 108 SER H 1 108 SER HB2 . . 4.160 2.567 2.076 3.136 . 0 0 "[ . 1 . 2]" 1
1515 1 108 SER H 1 108 SER QB . . 3.850 2.461 2.054 2.896 . 0 0 "[ . 1 . 2]" 1
1516 1 108 SER H 1 108 SER HB3 . . 4.160 3.301 2.698 3.592 . 0 0 "[ . 1 . 2]" 1
1517 1 108 SER H 1 109 LEU H . . 3.410 2.742 2.256 2.846 . 0 0 "[ . 1 . 2]" 1
1518 1 109 LEU H 1 109 LEU HB2 . . 3.950 2.607 2.074 3.408 . 0 0 "[ . 1 . 2]" 1
1519 1 109 LEU H 1 109 LEU QB . . 3.700 2.528 2.053 2.944 . 0 0 "[ . 1 . 2]" 1
1520 1 109 LEU H 1 109 LEU HB3 . . 3.950 3.559 3.219 3.697 . 0 0 "[ . 1 . 2]" 1
1521 1 109 LEU H 1 109 LEU HG . . 4.560 2.590 1.802 4.488 . 0 0 "[ . 1 . 2]" 1
1522 1 109 LEU H 1 110 LYS H . . 4.600 4.522 4.095 4.634 0.034 11 0 "[ . 1 . 2]" 1
1523 1 109 LEU HA 1 110 LYS H . . 3.050 2.442 2.219 2.495 . 0 0 "[ . 1 . 2]" 1
1524 1 109 LEU QB 1 110 LYS HA . . 4.720 4.003 3.694 4.205 . 0 0 "[ . 1 . 2]" 1
1525 1 109 LEU HB2 1 110 LYS H . . 5.500 3.515 3.111 4.603 . 0 0 "[ . 1 . 2]" 1
1526 1 109 LEU HB3 1 110 LYS H . . 5.500 2.589 2.229 4.273 . 0 0 "[ . 1 . 2]" 1
1527 1 109 LEU QD 2 1 PLM H81 . . 5.680 3.238 2.259 3.584 . 0 0 "[ . 1 . 2]" 1
1528 1 109 LEU QD 2 1 PLM HA1 . . 5.530 3.185 2.727 3.476 . 0 0 "[ . 1 . 2]" 1
1529 1 109 LEU MD1 1 110 LYS H . . 7.020 4.310 3.551 5.362 . 0 0 "[ . 1 . 2]" 1
1530 1 109 LEU MD1 2 1 PLM H81 . . 6.350 3.975 3.167 4.410 . 0 0 "[ . 1 . 2]" 1
1531 1 109 LEU MD1 2 1 PLM HA1 . . 6.420 3.497 2.849 4.454 . 0 0 "[ . 1 . 2]" 1
1532 1 109 LEU MD2 1 110 LYS H . . 7.020 3.872 3.609 5.570 . 0 0 "[ . 1 . 2]" 1
1533 1 109 LEU MD2 2 1 PLM H81 . . 6.350 3.601 2.275 4.574 . 0 0 "[ . 1 . 2]" 1
1534 1 109 LEU MD2 2 1 PLM HA1 . . 6.420 3.843 2.991 4.377 . 0 0 "[ . 1 . 2]" 1
1535 1 110 LYS H 1 110 LYS QD . . 6.230 4.628 3.517 5.205 . 0 0 "[ . 1 . 2]" 1
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