NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
450991 |
2rnq   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rnq
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 1204
_Distance_constraint_stats_list.Viol_count 1107
_Distance_constraint_stats_list.Viol_total 2200.066
_Distance_constraint_stats_list.Viol_max 0.726
_Distance_constraint_stats_list.Viol_rms 0.0295
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0046
_Distance_constraint_stats_list.Viol_average_violations_only 0.0994
_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 4 GLU 0.218 0.043 7 0 "[ . 1 . 2]"
1 5 ASP 0.511 0.228 11 0 "[ . 1 . 2]"
1 6 GLU 0.519 0.228 11 0 "[ . 1 . 2]"
1 7 GLU 0.225 0.152 18 0 "[ . 1 . 2]"
1 9 ASP 0.208 0.113 4 0 "[ . 1 . 2]"
1 10 ASP 0.258 0.113 4 0 "[ . 1 . 2]"
1 11 GLU 0.975 0.231 20 0 "[ . 1 . 2]"
1 12 PHE 1.488 0.231 20 0 "[ . 1 . 2]"
1 13 GLU 0.563 0.211 5 0 "[ . 1 . 2]"
1 14 GLU 0.831 0.351 18 0 "[ . 1 . 2]"
1 15 VAL 1.857 0.351 18 0 "[ . 1 . 2]"
1 16 ALA 1.790 0.176 13 0 "[ . 1 . 2]"
1 17 ASP 1.628 0.184 10 0 "[ . 1 . 2]"
1 18 ASP 2.368 0.184 10 0 "[ . 1 . 2]"
1 19 PRO 3.898 0.257 20 0 "[ . 1 . 2]"
1 20 ILE 0.596 0.085 13 0 "[ . 1 . 2]"
1 21 VAL 10.241 0.298 11 0 "[ . 1 . 2]"
1 22 MET 6.151 0.259 15 0 "[ . 1 . 2]"
1 23 VAL 14.948 0.726 17 10 "[ * -* 1*** * + **]"
1 24 ALA 4.035 0.189 13 0 "[ . 1 . 2]"
1 25 GLY 6.880 0.259 15 0 "[ . 1 . 2]"
1 26 ARG 1.551 0.223 14 0 "[ . 1 . 2]"
1 27 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 PHE 17.518 0.726 17 10 "[ * -* 1*** * + **]"
1 29 SER 2.039 0.154 12 0 "[ . 1 . 2]"
1 30 TYR 2.544 0.257 20 0 "[ . 1 . 2]"
1 31 SER 0.620 0.076 19 0 "[ . 1 . 2]"
1 32 GLU 3.020 0.154 12 0 "[ . 1 . 2]"
1 33 VAL 11.883 0.327 6 0 "[ . 1 . 2]"
1 34 SER 2.279 0.122 19 0 "[ . 1 . 2]"
1 35 GLN 1.451 0.135 1 0 "[ . 1 . 2]"
1 36 ARG 3.079 0.134 19 0 "[ . 1 . 2]"
1 37 PRO 8.317 0.388 18 0 "[ . 1 . 2]"
1 38 GLU 5.480 0.149 12 0 "[ . 1 . 2]"
1 39 LEU 15.153 0.388 18 0 "[ . 1 . 2]"
1 40 VAL 13.401 0.234 1 0 "[ . 1 . 2]"
1 41 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLN 4.355 0.222 12 0 "[ . 1 . 2]"
1 43 MET 8.898 0.327 6 0 "[ . 1 . 2]"
1 44 THR 2.734 0.106 18 0 "[ . 1 . 2]"
1 45 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLU 1.246 0.079 10 0 "[ . 1 . 2]"
1 47 GLU 3.589 0.097 5 0 "[ . 1 . 2]"
1 48 LYS 7.633 0.378 17 0 "[ . 1 . 2]"
1 49 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ALA 0.011 0.008 10 0 "[ . 1 . 2]"
1 51 TYR 4.135 0.298 11 0 "[ . 1 . 2]"
1 52 ILE 7.572 0.378 17 0 "[ . 1 . 2]"
1 53 ALA 0.986 0.097 1 0 "[ . 1 . 2]"
1 54 MET 0.853 0.068 8 0 "[ . 1 . 2]"
1 55 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 MET 0.157 0.067 2 0 "[ . 1 . 2]"
1 59 PHE 1.544 0.185 18 0 "[ . 1 . 2]"
1 60 GLU 4.006 0.361 9 0 "[ . 1 . 2]"
1 61 ASP 4.070 0.361 9 0 "[ . 1 . 2]"
1 62 LEU 1.295 0.182 3 0 "[ . 1 . 2]"
1 63 PHE 0.371 0.094 16 0 "[ . 1 . 2]"
1 64 GLU 0.029 0.029 9 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 4 GLU H 1 5 ASP H 2.400 . 2.900 2.437 1.856 2.931 0.031 17 0 "[ . 1 . 2]" 1
2 1 4 GLU HA 1 5 ASP H 2.900 . 3.500 3.223 2.457 3.543 0.043 7 0 "[ . 1 . 2]" 1
3 1 4 GLU QB 1 5 ASP H 3.900 . 7.000 3.211 1.862 3.968 . 0 0 "[ . 1 . 2]" 1
4 1 4 GLU QG 1 5 ASP H 3.900 . 7.000 4.065 2.298 4.930 . 0 0 "[ . 1 . 2]" 1
5 1 5 ASP HA 1 6 GLU H 2.400 . 2.900 2.521 2.218 3.128 0.228 11 0 "[ . 1 . 2]" 1
6 1 5 ASP QB 1 6 GLU H 3.400 . 6.000 3.253 2.307 4.029 . 0 0 "[ . 1 . 2]" 1
7 1 6 GLU H 1 7 GLU H 2.900 . 3.500 2.557 1.802 3.652 0.152 18 0 "[ . 1 . 2]" 1
8 1 9 ASP HA 1 10 ASP H 2.400 . 2.900 2.452 2.132 3.013 0.113 4 0 "[ . 1 . 2]" 1
9 1 10 ASP HA 1 11 GLU H 2.400 . 2.900 2.446 2.107 2.950 0.050 15 0 "[ . 1 . 2]" 1
10 1 10 ASP QB 1 11 GLU H 3.400 . 6.000 2.947 2.018 4.004 . 0 0 "[ . 1 . 2]" 1
11 1 10 ASP QB 1 12 PHE H 3.900 . 7.000 4.357 2.305 6.139 . 0 0 "[ . 1 . 2]" 1
12 1 10 ASP QB 1 13 GLU H 3.900 . 7.000 5.493 2.841 6.246 . 0 0 "[ . 1 . 2]" 1
13 1 11 GLU H 1 12 PHE QB 3.900 . 7.000 4.828 3.928 6.355 . 0 0 "[ . 1 . 2]" 1
14 1 11 GLU H 1 12 PHE QD 3.900 . 8.000 5.138 3.224 7.024 . 0 0 "[ . 1 . 2]" 1
15 1 11 GLU HA 1 12 PHE H 2.400 . 2.900 2.709 2.219 3.131 0.231 20 0 "[ . 1 . 2]" 1
16 1 11 GLU QB 1 12 PHE H 3.400 . 6.000 3.379 1.857 3.994 . 0 0 "[ . 1 . 2]" 1
17 1 11 GLU QG 1 12 PHE H 3.900 . 7.000 3.815 2.542 4.671 . 0 0 "[ . 1 . 2]" 1
18 1 12 PHE HA 1 13 GLU H 2.400 . 2.900 2.619 2.130 3.111 0.211 5 0 "[ . 1 . 2]" 1
19 1 12 PHE QB 1 13 GLU H 3.400 . 6.000 3.570 1.751 4.020 0.049 4 0 "[ . 1 . 2]" 1
20 1 12 PHE QD 1 13 GLU H 3.900 . 8.000 4.392 2.563 4.920 . 0 0 "[ . 1 . 2]" 1
21 1 13 GLU H 1 15 VAL QG 3.900 . 9.900 5.513 3.162 6.972 . 0 0 "[ . 1 . 2]" 1
22 1 14 GLU HA 1 15 VAL H 2.400 . 2.900 2.541 2.135 3.251 0.351 18 0 "[ . 1 . 2]" 1
23 1 14 GLU QG 1 15 VAL H 3.900 . 7.000 3.532 2.612 4.774 . 0 0 "[ . 1 . 2]" 1
24 1 15 VAL H 1 16 ALA MB 3.900 . 7.500 4.125 3.310 5.625 . 0 0 "[ . 1 . 2]" 1
25 1 15 VAL HA 1 16 ALA H 2.400 . 2.900 2.761 2.207 3.076 0.176 13 0 "[ . 1 . 2]" 1
26 1 15 VAL HA 1 16 ALA MB 3.900 . 7.500 4.497 3.856 4.769 . 0 0 "[ . 1 . 2]" 1
27 1 15 VAL HB 1 16 ALA H 3.400 . 5.000 4.369 4.018 4.587 . 0 0 "[ . 1 . 2]" 1
28 1 15 VAL QG 1 16 ALA H 3.400 . 8.900 3.399 2.334 3.727 . 0 0 "[ . 1 . 2]" 1
29 1 15 VAL QG 1 16 ALA HA 3.900 . 9.900 3.860 3.340 4.712 . 0 0 "[ . 1 . 2]" 1
30 1 15 VAL QG 1 17 ASP H 3.900 . 9.900 4.095 2.212 5.954 . 0 0 "[ . 1 . 2]" 1
31 1 15 VAL QG 1 18 ASP H 3.900 . 9.900 5.336 2.664 7.396 . 0 0 "[ . 1 . 2]" 1
32 1 16 ALA H 1 17 ASP HA 3.900 . 6.000 5.122 4.430 6.061 0.061 19 0 "[ . 1 . 2]" 1
33 1 16 ALA HA 1 17 ASP H 2.400 . 2.900 2.584 2.110 3.050 0.150 11 0 "[ . 1 . 2]" 1
34 1 16 ALA HA 1 18 ASP H 3.900 . 6.000 4.420 2.945 6.006 0.006 14 0 "[ . 1 . 2]" 1
35 1 16 ALA MB 1 17 ASP H 3.400 . 6.500 3.371 1.701 3.719 0.099 9 0 "[ . 1 . 2]" 1
36 1 16 ALA MB 1 18 ASP H 3.900 . 7.500 4.638 3.473 5.646 . 0 0 "[ . 1 . 2]" 1
37 1 17 ASP H 1 18 ASP H 2.900 . 3.500 2.808 1.927 3.684 0.184 10 0 "[ . 1 . 2]" 1
38 1 17 ASP H 1 18 ASP HA 3.900 . 6.000 4.842 4.330 5.311 . 0 0 "[ . 1 . 2]" 1
39 1 17 ASP H 1 18 ASP QB 3.900 . 7.000 4.358 3.510 5.195 . 0 0 "[ . 1 . 2]" 1
40 1 17 ASP HA 1 18 ASP H 2.900 . 3.500 3.123 2.152 3.560 0.060 20 0 "[ . 1 . 2]" 1
41 1 17 ASP QB 1 18 ASP HA 3.900 . 7.000 4.434 3.950 4.843 . 0 0 "[ . 1 . 2]" 1
42 1 17 ASP QB 1 19 PRO QD 3.900 . 8.000 5.113 4.563 5.532 . 0 0 "[ . 1 . 2]" 1
43 1 18 ASP H 1 19 PRO QD 3.400 . 6.000 4.216 3.938 4.351 . 0 0 "[ . 1 . 2]" 1
44 1 18 ASP HA 1 19 PRO HA 3.900 . 6.000 4.429 4.413 4.449 . 0 0 "[ . 1 . 2]" 1
45 1 18 ASP HA 1 19 PRO QB 3.900 . 7.000 4.658 4.625 4.717 . 0 0 "[ . 1 . 2]" 1
46 1 18 ASP HA 1 19 PRO QD 2.400 . 3.700 1.726 1.676 1.809 0.124 2 0 "[ . 1 . 2]" 1
47 1 18 ASP HA 1 19 PRO QG 2.900 . 4.300 3.610 3.571 3.660 . 0 0 "[ . 1 . 2]" 1
48 1 18 ASP HA 1 20 ILE QG 3.900 . 7.000 6.041 6.002 6.079 . 0 0 "[ . 1 . 2]" 1
49 1 18 ASP HA 1 29 SER HB3 3.900 . 6.000 5.376 5.235 5.632 . 0 0 "[ . 1 . 2]" 1
50 1 18 ASP HA 1 30 TYR H 3.900 . 6.000 4.703 4.202 5.065 . 0 0 "[ . 1 . 2]" 1
51 1 18 ASP HA 1 30 TYR HB2 3.900 . 6.000 5.558 4.954 5.876 . 0 0 "[ . 1 . 2]" 1
52 1 18 ASP HA 1 30 TYR HB3 3.400 . 5.000 4.076 3.384 4.495 . 0 0 "[ . 1 . 2]" 1
53 1 18 ASP HA 1 30 TYR QD 3.400 . 7.000 4.592 3.842 5.177 . 0 0 "[ . 1 . 2]" 1
54 1 18 ASP HA 1 30 TYR QE 3.900 . 8.000 6.429 5.743 6.938 . 0 0 "[ . 1 . 2]" 1
55 1 18 ASP HA 1 31 SER H 3.900 . 6.000 4.718 4.155 5.178 . 0 0 "[ . 1 . 2]" 1
56 1 18 ASP HA 1 58 MET ME 3.400 . 6.500 5.028 4.319 5.398 . 0 0 "[ . 1 . 2]" 1
57 1 18 ASP QB 1 19 PRO HA 3.900 . 7.000 4.999 4.879 5.129 . 0 0 "[ . 1 . 2]" 1
58 1 18 ASP QB 1 19 PRO QD 3.900 . 8.000 3.429 3.281 3.621 . 0 0 "[ . 1 . 2]" 1
59 1 18 ASP QB 1 19 PRO QG 3.900 . 8.000 5.080 4.985 5.201 . 0 0 "[ . 1 . 2]" 1
60 1 18 ASP QB 1 20 ILE H 3.900 . 7.000 5.257 5.138 5.389 . 0 0 "[ . 1 . 2]" 1
61 1 18 ASP QB 1 20 ILE QG 3.900 . 8.000 4.687 4.579 4.875 . 0 0 "[ . 1 . 2]" 1
62 1 18 ASP QB 1 29 SER HB2 3.900 . 7.000 4.677 4.563 4.783 . 0 0 "[ . 1 . 2]" 1
63 1 18 ASP QB 1 29 SER HB3 3.900 . 7.000 3.213 3.050 3.428 . 0 0 "[ . 1 . 2]" 1
64 1 18 ASP QB 1 30 TYR H 3.900 . 7.000 3.998 3.953 4.041 . 0 0 "[ . 1 . 2]" 1
65 1 18 ASP QB 1 30 TYR HA 3.900 . 7.000 6.327 6.291 6.355 . 0 0 "[ . 1 . 2]" 1
66 1 18 ASP QB 1 31 SER H 3.900 . 7.000 3.959 3.891 4.053 . 0 0 "[ . 1 . 2]" 1
67 1 18 ASP QB 1 31 SER QB 3.900 . 8.000 4.138 4.014 4.284 . 0 0 "[ . 1 . 2]" 1
68 1 19 PRO HA 1 20 ILE H 2.400 . 2.900 2.179 2.151 2.203 . 0 0 "[ . 1 . 2]" 1
69 1 19 PRO HA 1 20 ILE MD 3.900 . 7.500 4.645 4.484 4.851 . 0 0 "[ . 1 . 2]" 1
70 1 19 PRO HA 1 20 ILE QG 3.400 . 6.000 3.756 3.647 3.848 . 0 0 "[ . 1 . 2]" 1
71 1 19 PRO HA 1 30 TYR HB2 3.900 . 6.000 5.033 4.846 5.196 . 0 0 "[ . 1 . 2]" 1
72 1 19 PRO HA 1 58 MET ME 3.400 . 6.500 5.366 5.150 5.481 . 0 0 "[ . 1 . 2]" 1
73 1 19 PRO QB 1 20 ILE H 3.400 . 6.000 3.555 3.446 3.640 . 0 0 "[ . 1 . 2]" 1
74 1 19 PRO QB 1 20 ILE HA 3.900 . 7.000 4.612 4.591 4.634 . 0 0 "[ . 1 . 2]" 1
75 1 19 PRO QB 1 20 ILE QG 3.900 . 8.000 5.065 4.982 5.151 . 0 0 "[ . 1 . 2]" 1
76 1 19 PRO QB 1 20 ILE MG 3.900 . 8.500 5.624 5.544 5.676 . 0 0 "[ . 1 . 2]" 1
77 1 19 PRO QB 1 21 VAL MG2 3.900 . 8.500 4.883 4.700 5.098 . 0 0 "[ . 1 . 2]" 1
78 1 19 PRO QB 1 30 TYR HB2 3.900 . 7.000 2.933 2.586 3.295 . 0 0 "[ . 1 . 2]" 1
79 1 19 PRO QB 1 30 TYR HB3 3.900 . 7.000 3.429 3.045 3.812 . 0 0 "[ . 1 . 2]" 1
80 1 19 PRO QD 1 20 ILE H 3.900 . 7.000 4.724 4.689 4.754 . 0 0 "[ . 1 . 2]" 1
81 1 19 PRO QD 1 21 VAL MG2 3.900 . 8.500 6.123 5.885 6.214 . 0 0 "[ . 1 . 2]" 1
82 1 19 PRO QD 1 29 SER HA 3.900 . 7.000 5.037 4.891 5.180 . 0 0 "[ . 1 . 2]" 1
83 1 19 PRO QD 1 29 SER HB2 3.900 . 7.000 6.174 6.130 6.233 . 0 0 "[ . 1 . 2]" 1
84 1 19 PRO QD 1 30 TYR H 3.900 . 7.000 3.239 3.103 3.364 . 0 0 "[ . 1 . 2]" 1
85 1 19 PRO QD 1 30 TYR HB2 3.400 . 6.000 2.910 2.614 3.084 . 0 0 "[ . 1 . 2]" 1
86 1 19 PRO QD 1 30 TYR HB3 3.400 . 6.000 1.683 1.543 1.867 0.257 20 0 "[ . 1 . 2]" 1
87 1 19 PRO QD 1 30 TYR QD 3.400 . 8.000 2.812 2.679 2.990 . 0 0 "[ . 1 . 2]" 1
88 1 19 PRO QD 1 58 MET ME 2.900 . 5.800 3.173 2.731 3.545 . 0 0 "[ . 1 . 2]" 1
89 1 19 PRO QG 1 20 ILE H 3.400 . 6.000 4.946 4.911 4.970 . 0 0 "[ . 1 . 2]" 1
90 1 19 PRO QG 1 21 VAL MG1 3.900 . 8.500 5.530 5.320 5.684 . 0 0 "[ . 1 . 2]" 1
91 1 19 PRO QG 1 30 TYR H 3.900 . 7.000 4.934 4.807 5.068 . 0 0 "[ . 1 . 2]" 1
92 1 19 PRO QG 1 30 TYR HA 3.900 . 7.000 5.561 5.440 5.651 . 0 0 "[ . 1 . 2]" 1
93 1 19 PRO QG 1 30 TYR HB2 2.900 . 4.300 3.526 3.383 3.595 . 0 0 "[ . 1 . 2]" 1
94 1 19 PRO QG 1 30 TYR HB3 3.400 . 6.000 3.217 3.011 3.444 . 0 0 "[ . 1 . 2]" 1
95 1 19 PRO QG 1 30 TYR QD 3.400 . 8.000 3.567 3.355 3.853 . 0 0 "[ . 1 . 2]" 1
96 1 19 PRO QG 1 30 TYR QE 3.400 . 8.000 4.486 4.322 4.768 . 0 0 "[ . 1 . 2]" 1
97 1 19 PRO QG 1 31 SER H 3.900 . 7.000 5.470 5.189 5.801 . 0 0 "[ . 1 . 2]" 1
98 1 20 ILE H 1 20 ILE HB 2.400 . 2.900 2.551 2.478 2.634 . 0 0 "[ . 1 . 2]" 1
99 1 20 ILE H 1 20 ILE QG 2.400 . 3.900 2.041 1.980 2.114 . 0 0 "[ . 1 . 2]" 1
100 1 20 ILE H 1 21 VAL H 3.900 . 6.000 4.438 4.389 4.483 . 0 0 "[ . 1 . 2]" 1
101 1 20 ILE H 1 21 VAL MG1 3.900 . 7.500 5.492 5.326 5.609 . 0 0 "[ . 1 . 2]" 1
102 1 20 ILE H 1 29 SER HA 3.900 . 6.000 5.002 4.914 5.061 . 0 0 "[ . 1 . 2]" 1
103 1 20 ILE H 1 30 TYR H 3.900 . 6.000 4.938 4.901 4.995 . 0 0 "[ . 1 . 2]" 1
104 1 20 ILE H 1 54 MET ME 3.900 . 7.500 5.328 4.767 5.781 . 0 0 "[ . 1 . 2]" 1
105 1 20 ILE HA 1 20 ILE HB 2.900 . 3.300 3.024 3.020 3.028 . 0 0 "[ . 1 . 2]" 1
106 1 20 ILE HA 1 20 ILE MD 2.400 . 4.200 2.078 2.027 2.141 . 0 0 "[ . 1 . 2]" 1
107 1 20 ILE HA 1 20 ILE QG 2.400 . 3.700 2.870 2.725 2.991 . 0 0 "[ . 1 . 2]" 1
108 1 20 ILE HA 1 20 ILE MG 2.400 . 4.200 2.387 2.343 2.418 . 0 0 "[ . 1 . 2]" 1
109 1 20 ILE HA 1 21 VAL H 2.400 . 2.900 2.091 2.075 2.109 . 0 0 "[ . 1 . 2]" 1
110 1 20 ILE HA 1 21 VAL HA 3.400 . 5.000 4.365 4.357 4.376 . 0 0 "[ . 1 . 2]" 1
111 1 20 ILE HA 1 21 VAL HB 3.900 . 6.000 4.428 4.361 4.515 . 0 0 "[ . 1 . 2]" 1
112 1 20 ILE HA 1 21 VAL MG1 3.900 . 7.500 3.563 3.444 3.624 . 0 0 "[ . 1 . 2]" 1
113 1 20 ILE HA 1 27 PRO QB 3.900 . 7.000 4.936 4.728 5.118 . 0 0 "[ . 1 . 2]" 1
114 1 20 ILE HA 1 29 SER HA 2.400 . 2.700 2.724 2.651 2.785 0.085 13 0 "[ . 1 . 2]" 1
115 1 20 ILE HA 1 30 TYR H 3.400 . 5.000 3.338 3.244 3.442 . 0 0 "[ . 1 . 2]" 1
116 1 20 ILE HA 1 30 TYR HB2 3.900 . 6.000 4.482 4.379 4.679 . 0 0 "[ . 1 . 2]" 1
117 1 20 ILE HB 1 21 VAL H 3.400 . 5.000 4.236 4.192 4.280 . 0 0 "[ . 1 . 2]" 1
118 1 20 ILE HB 1 21 VAL HA 3.900 . 6.000 4.900 4.790 4.987 . 0 0 "[ . 1 . 2]" 1
119 1 20 ILE HB 1 22 MET QG 3.900 . 7.000 5.517 5.161 5.959 . 0 0 "[ . 1 . 2]" 1
120 1 20 ILE HB 1 29 SER HA 3.900 . 6.000 5.553 5.419 5.669 . 0 0 "[ . 1 . 2]" 1
121 1 20 ILE MD 1 21 VAL HA 3.900 . 7.500 5.761 5.733 5.821 . 0 0 "[ . 1 . 2]" 1
122 1 20 ILE MD 1 27 PRO HA 3.900 . 7.500 5.171 4.874 5.360 . 0 0 "[ . 1 . 2]" 1
123 1 20 ILE MD 1 27 PRO QB 2.900 . 5.800 3.813 3.573 3.898 . 0 0 "[ . 1 . 2]" 1
124 1 20 ILE MD 1 27 PRO QG 3.400 . 7.500 5.038 4.866 5.187 . 0 0 "[ . 1 . 2]" 1
125 1 20 ILE MD 1 29 SER H 3.900 . 7.500 3.975 3.665 4.226 . 0 0 "[ . 1 . 2]" 1
126 1 20 ILE MD 1 29 SER HA 2.900 . 4.800 2.355 2.146 2.598 . 0 0 "[ . 1 . 2]" 1
127 1 20 ILE MD 1 29 SER HB2 3.900 . 7.500 4.650 4.495 4.836 . 0 0 "[ . 1 . 2]" 1
128 1 20 ILE MD 1 29 SER HB3 3.400 . 6.500 3.702 3.498 3.921 . 0 0 "[ . 1 . 2]" 1
129 1 20 ILE MD 1 30 TYR H 3.900 . 7.500 3.746 3.633 3.845 . 0 0 "[ . 1 . 2]" 1
130 1 20 ILE QG 1 21 VAL H 3.900 . 7.000 4.639 4.531 4.736 . 0 0 "[ . 1 . 2]" 1
131 1 20 ILE QG 1 21 VAL HA 3.900 . 7.000 6.030 5.992 6.061 . 0 0 "[ . 1 . 2]" 1
132 1 20 ILE QG 1 28 PHE H 3.900 . 7.000 5.960 5.758 6.137 . 0 0 "[ . 1 . 2]" 1
133 1 20 ILE QG 1 29 SER HA 3.900 . 7.000 4.363 4.024 4.629 . 0 0 "[ . 1 . 2]" 1
134 1 20 ILE QG 1 30 TYR H 3.900 . 7.000 5.163 4.917 5.387 . 0 0 "[ . 1 . 2]" 1
135 1 20 ILE MG 1 21 VAL H 3.400 . 6.500 2.833 2.745 2.922 . 0 0 "[ . 1 . 2]" 1
136 1 20 ILE MG 1 21 VAL HA 3.400 . 6.500 3.848 3.785 3.957 . 0 0 "[ . 1 . 2]" 1
137 1 20 ILE MG 1 21 VAL HB 3.900 . 7.500 5.048 4.984 5.124 . 0 0 "[ . 1 . 2]" 1
138 1 20 ILE MG 1 22 MET H 3.900 . 7.500 4.620 4.416 4.795 . 0 0 "[ . 1 . 2]" 1
139 1 20 ILE MG 1 22 MET HA 3.900 . 7.500 4.251 4.176 4.364 . 0 0 "[ . 1 . 2]" 1
140 1 20 ILE MG 1 22 MET ME 2.400 . 5.700 3.755 3.648 3.901 . 0 0 "[ . 1 . 2]" 1
141 1 20 ILE MG 1 22 MET QG 3.400 . 7.500 3.883 3.451 4.429 . 0 0 "[ . 1 . 2]" 1
142 1 20 ILE MG 1 23 VAL H 3.900 . 7.500 5.654 5.554 5.738 . 0 0 "[ . 1 . 2]" 1
143 1 20 ILE MG 1 27 PRO HA 2.900 . 4.800 2.927 2.776 3.124 . 0 0 "[ . 1 . 2]" 1
144 1 20 ILE MG 1 27 PRO QB 2.900 . 5.800 2.034 1.869 2.163 . 0 0 "[ . 1 . 2]" 1
145 1 20 ILE MG 1 27 PRO QD 3.900 . 8.500 4.657 4.533 4.776 . 0 0 "[ . 1 . 2]" 1
146 1 20 ILE MG 1 27 PRO QG 3.400 . 7.500 3.565 3.308 3.741 . 0 0 "[ . 1 . 2]" 1
147 1 20 ILE MG 1 28 PHE H 3.400 . 6.500 3.031 2.839 3.213 . 0 0 "[ . 1 . 2]" 1
148 1 20 ILE MG 1 29 SER HA 3.400 . 6.500 3.750 3.708 3.803 . 0 0 "[ . 1 . 2]" 1
149 1 20 ILE MG 1 29 SER HB2 3.900 . 7.500 6.098 6.069 6.123 . 0 0 "[ . 1 . 2]" 1
150 1 21 VAL H 1 21 VAL HA 2.900 . 3.500 2.936 2.930 2.942 . 0 0 "[ . 1 . 2]" 1
151 1 21 VAL H 1 21 VAL HB 2.900 . 3.500 2.948 2.872 3.036 . 0 0 "[ . 1 . 2]" 1
152 1 21 VAL H 1 21 VAL MG1 2.400 . 4.400 2.011 1.889 2.117 . 0 0 "[ . 1 . 2]" 1
153 1 21 VAL H 1 21 VAL MG2 3.400 . 6.500 3.840 3.801 3.865 . 0 0 "[ . 1 . 2]" 1
154 1 21 VAL H 1 22 MET H 3.900 . 6.000 4.452 4.368 4.498 . 0 0 "[ . 1 . 2]" 1
155 1 21 VAL H 1 22 MET HA 3.900 . 6.000 4.900 4.844 5.037 . 0 0 "[ . 1 . 2]" 1
156 1 21 VAL H 1 23 VAL H 3.900 . 6.000 6.141 6.090 6.162 0.162 7 0 "[ . 1 . 2]" 1
157 1 21 VAL H 1 27 PRO HA 3.900 . 6.000 4.505 4.398 4.617 . 0 0 "[ . 1 . 2]" 1
158 1 21 VAL H 1 28 PHE H 3.400 . 5.000 3.355 3.266 3.478 . 0 0 "[ . 1 . 2]" 1
159 1 21 VAL H 1 28 PHE HB2 3.900 . 6.000 4.530 4.403 4.660 . 0 0 "[ . 1 . 2]" 1
160 1 21 VAL H 1 28 PHE HB3 3.900 . 6.000 5.724 5.614 5.854 . 0 0 "[ . 1 . 2]" 1
161 1 21 VAL H 1 28 PHE QD 3.900 . 8.000 5.201 4.821 5.559 . 0 0 "[ . 1 . 2]" 1
162 1 21 VAL H 1 28 PHE O 2.000 . 2.300 1.956 1.905 2.060 . 0 0 "[ . 1 . 2]" 1
163 1 21 VAL H 1 29 SER HA 3.900 . 6.000 3.467 3.374 3.551 . 0 0 "[ . 1 . 2]" 1
164 1 21 VAL H 1 30 TYR H 3.900 . 6.000 3.655 3.524 3.739 . 0 0 "[ . 1 . 2]" 1
165 1 21 VAL H 1 30 TYR HA 3.900 . 6.000 3.910 3.783 4.082 . 0 0 "[ . 1 . 2]" 1
166 1 21 VAL H 1 30 TYR HB2 3.900 . 6.000 3.970 3.800 4.110 . 0 0 "[ . 1 . 2]" 1
167 1 21 VAL H 1 33 VAL MG2 3.900 . 7.500 3.982 3.900 4.046 . 0 0 "[ . 1 . 2]" 1
168 1 21 VAL HA 1 21 VAL HB 2.400 . 2.700 2.461 2.422 2.479 . 0 0 "[ . 1 . 2]" 1
169 1 21 VAL HA 1 21 VAL MG1 2.900 . 5.000 3.210 3.204 3.216 . 0 0 "[ . 1 . 2]" 1
170 1 21 VAL HA 1 21 VAL MG2 2.400 . 4.200 2.390 2.358 2.427 . 0 0 "[ . 1 . 2]" 1
171 1 21 VAL HA 1 22 MET H 2.400 . 2.900 2.254 2.170 2.325 . 0 0 "[ . 1 . 2]" 1
172 1 21 VAL HA 1 22 MET HA 3.900 . 6.000 4.334 4.322 4.349 . 0 0 "[ . 1 . 2]" 1
173 1 21 VAL HA 1 22 MET QG 3.900 . 7.000 3.532 3.328 4.039 . 0 0 "[ . 1 . 2]" 1
174 1 21 VAL HA 1 23 VAL H 3.900 . 6.000 5.961 5.913 6.003 0.003 1 0 "[ . 1 . 2]" 1
175 1 21 VAL HA 1 28 PHE H 3.900 . 6.000 4.877 4.799 4.997 . 0 0 "[ . 1 . 2]" 1
176 1 21 VAL HA 1 30 TYR HA 3.900 . 6.000 5.414 5.164 5.583 . 0 0 "[ . 1 . 2]" 1
177 1 21 VAL HA 1 30 TYR QD 3.900 . 8.000 5.425 5.154 5.848 . 0 0 "[ . 1 . 2]" 1
178 1 21 VAL HA 1 33 VAL MG2 3.900 . 7.500 5.018 4.934 5.103 . 0 0 "[ . 1 . 2]" 1
179 1 21 VAL HA 1 43 MET ME 3.900 . 7.500 4.639 4.558 4.716 . 0 0 "[ . 1 . 2]" 1
180 1 21 VAL HA 1 54 MET ME 2.900 . 4.800 3.380 3.115 3.677 . 0 0 "[ . 1 . 2]" 1
181 1 21 VAL HB 1 22 MET HA 3.900 . 6.000 5.953 5.900 6.033 0.033 14 0 "[ . 1 . 2]" 1
182 1 21 VAL HB 1 28 PHE H 3.900 . 6.000 5.646 5.569 5.715 . 0 0 "[ . 1 . 2]" 1
183 1 21 VAL HB 1 29 SER HA 3.900 . 6.000 5.596 5.484 5.725 . 0 0 "[ . 1 . 2]" 1
184 1 21 VAL HB 1 30 TYR HA 3.900 . 6.000 3.290 2.965 3.551 . 0 0 "[ . 1 . 2]" 1
185 1 21 VAL HB 1 30 TYR QD 3.900 . 8.000 3.088 2.830 3.522 . 0 0 "[ . 1 . 2]" 1
186 1 21 VAL HB 1 33 VAL MG1 3.900 . 7.500 5.108 4.948 5.216 . 0 0 "[ . 1 . 2]" 1
187 1 21 VAL HB 1 33 VAL MG2 2.900 . 4.800 4.017 3.955 4.045 . 0 0 "[ . 1 . 2]" 1
188 1 21 VAL HB 1 43 MET ME 2.900 . 4.800 4.072 4.042 4.117 . 0 0 "[ . 1 . 2]" 1
189 1 21 VAL HB 1 51 TYR QB 3.900 . 7.000 3.795 3.587 4.054 . 0 0 "[ . 1 . 2]" 1
190 1 21 VAL HB 1 51 TYR QD 3.400 . 7.000 4.007 3.661 4.241 . 0 0 "[ . 1 . 2]" 1
191 1 21 VAL MG1 1 22 MET HA 3.900 . 7.500 4.236 4.114 4.382 . 0 0 "[ . 1 . 2]" 1
192 1 21 VAL MG1 1 28 PHE H 3.900 . 7.500 3.445 3.320 3.561 . 0 0 "[ . 1 . 2]" 1
193 1 21 VAL MG1 1 28 PHE HA 3.900 . 7.500 4.974 4.919 5.048 . 0 0 "[ . 1 . 2]" 1
194 1 21 VAL MG1 1 28 PHE HB2 3.900 . 7.500 3.393 3.249 3.600 . 0 0 "[ . 1 . 2]" 1
195 1 21 VAL MG1 1 28 PHE HB3 3.900 . 7.500 4.771 4.630 4.981 . 0 0 "[ . 1 . 2]" 1
196 1 21 VAL MG1 1 28 PHE QD 3.400 . 8.500 3.553 3.324 3.866 . 0 0 "[ . 1 . 2]" 1
197 1 21 VAL MG1 1 29 SER H 3.900 . 7.500 4.455 4.377 4.540 . 0 0 "[ . 1 . 2]" 1
198 1 21 VAL MG1 1 29 SER HA 3.900 . 7.500 3.695 3.564 3.795 . 0 0 "[ . 1 . 2]" 1
199 1 21 VAL MG1 1 30 TYR H 3.400 . 6.500 3.153 3.027 3.216 . 0 0 "[ . 1 . 2]" 1
200 1 21 VAL MG1 1 30 TYR HA 2.400 . 4.200 1.841 1.761 1.965 0.039 8 0 "[ . 1 . 2]" 1
201 1 21 VAL MG1 1 30 TYR HB2 2.900 . 4.800 2.813 2.634 2.926 . 0 0 "[ . 1 . 2]" 1
202 1 21 VAL MG1 1 30 TYR HB3 2.900 . 4.800 3.864 3.687 3.933 . 0 0 "[ . 1 . 2]" 1
203 1 21 VAL MG1 1 30 TYR QD 2.400 . 6.200 3.016 2.941 3.096 . 0 0 "[ . 1 . 2]" 1
204 1 21 VAL MG1 1 30 TYR QE 2.900 . 6.800 4.789 4.721 4.851 . 0 0 "[ . 1 . 2]" 1
205 1 21 VAL MG1 1 31 SER H 3.900 . 7.500 4.613 4.533 4.682 . 0 0 "[ . 1 . 2]" 1
206 1 21 VAL MG1 1 32 GLU H 3.900 . 7.500 4.732 4.481 4.923 . 0 0 "[ . 1 . 2]" 1
207 1 21 VAL MG1 1 33 VAL H 3.900 . 7.500 3.561 3.531 3.607 . 0 0 "[ . 1 . 2]" 1
208 1 21 VAL MG1 1 33 VAL HB 3.400 . 6.500 2.527 2.418 2.677 . 0 0 "[ . 1 . 2]" 1
209 1 21 VAL MG1 1 33 VAL MG1 2.900 . 6.300 2.959 2.825 3.141 . 0 0 "[ . 1 . 2]" 1
210 1 21 VAL MG1 1 33 VAL MG2 2.400 . 5.700 1.635 1.594 1.699 0.206 4 0 "[ . 1 . 2]" 1
211 1 21 VAL MG1 1 34 SER H 3.900 . 7.500 4.538 4.436 4.635 . 0 0 "[ . 1 . 2]" 1
212 1 21 VAL MG1 1 51 TYR QD 2.900 . 6.800 3.081 2.805 3.290 . 0 0 "[ . 1 . 2]" 1
213 1 21 VAL MG1 1 51 TYR QE 2.900 . 6.800 4.345 3.869 4.513 . 0 0 "[ . 1 . 2]" 1
214 1 21 VAL MG2 1 22 MET H 3.400 . 6.500 2.452 2.255 2.699 . 0 0 "[ . 1 . 2]" 1
215 1 21 VAL MG2 1 22 MET HA 3.900 . 7.500 4.115 4.022 4.249 . 0 0 "[ . 1 . 2]" 1
216 1 21 VAL MG2 1 22 MET HB3 3.400 . 6.500 5.120 4.815 5.252 . 0 0 "[ . 1 . 2]" 1
217 1 21 VAL MG2 1 22 MET QG 3.900 . 8.500 4.134 3.889 4.694 . 0 0 "[ . 1 . 2]" 1
218 1 21 VAL MG2 1 23 VAL H 3.900 . 7.500 4.695 4.520 4.801 . 0 0 "[ . 1 . 2]" 1
219 1 21 VAL MG2 1 23 VAL HA 3.900 . 7.500 4.532 4.381 4.640 . 0 0 "[ . 1 . 2]" 1
220 1 21 VAL MG2 1 23 VAL MG2 2.900 . 6.300 3.063 2.834 3.227 . 0 0 "[ . 1 . 2]" 1
221 1 21 VAL MG2 1 28 PHE QD 3.400 . 8.500 4.962 4.701 5.343 . 0 0 "[ . 1 . 2]" 1
222 1 21 VAL MG2 1 30 TYR HA 3.400 . 6.500 3.870 3.676 3.972 . 0 0 "[ . 1 . 2]" 1
223 1 21 VAL MG2 1 30 TYR HB2 2.900 . 4.800 4.016 3.917 4.070 . 0 0 "[ . 1 . 2]" 1
224 1 21 VAL MG2 1 30 TYR QD 2.900 . 6.800 3.178 2.950 3.484 . 0 0 "[ . 1 . 2]" 1
225 1 21 VAL MG2 1 30 TYR QE 3.400 . 8.500 4.548 4.221 4.984 . 0 0 "[ . 1 . 2]" 1
226 1 21 VAL MG2 1 33 VAL HB 2.900 . 4.800 3.883 3.854 3.911 . 0 0 "[ . 1 . 2]" 1
227 1 21 VAL MG2 1 33 VAL MG1 2.900 . 6.300 3.303 3.121 3.459 . 0 0 "[ . 1 . 2]" 1
228 1 21 VAL MG2 1 43 MET ME 2.400 . 5.700 1.876 1.834 1.902 . 0 0 "[ . 1 . 2]" 1
229 1 21 VAL MG2 1 43 MET QG 3.900 . 8.500 3.860 3.773 3.917 . 0 0 "[ . 1 . 2]" 1
230 1 21 VAL MG2 1 47 GLU HA 3.900 . 7.500 4.384 4.200 4.618 . 0 0 "[ . 1 . 2]" 1
231 1 21 VAL MG2 1 51 TYR H 3.900 . 7.500 3.555 3.411 3.759 . 0 0 "[ . 1 . 2]" 1
232 1 21 VAL MG2 1 51 TYR HA 3.400 . 6.500 2.844 2.771 2.908 . 0 0 "[ . 1 . 2]" 1
233 1 21 VAL MG2 1 51 TYR QB 2.900 . 5.800 1.603 1.502 1.775 0.298 11 0 "[ . 1 . 2]" 1
234 1 21 VAL MG2 1 51 TYR QD 2.900 . 6.800 2.721 2.212 3.030 . 0 0 "[ . 1 . 2]" 1
235 1 21 VAL MG2 1 51 TYR QE 3.400 . 8.500 4.628 4.216 4.877 . 0 0 "[ . 1 . 2]" 1
236 1 21 VAL MG2 1 52 ILE H 3.900 . 7.500 4.979 4.909 5.098 . 0 0 "[ . 1 . 2]" 1
237 1 21 VAL MG2 1 53 ALA H 3.900 . 7.500 6.258 6.218 6.300 . 0 0 "[ . 1 . 2]" 1
238 1 21 VAL MG2 1 54 MET H 3.900 . 7.500 5.750 5.641 5.847 . 0 0 "[ . 1 . 2]" 1
239 1 21 VAL MG2 1 54 MET HB2 3.900 . 7.500 4.719 4.552 4.888 . 0 0 "[ . 1 . 2]" 1
240 1 21 VAL MG2 1 54 MET HB3 3.900 . 7.500 5.664 5.403 5.947 . 0 0 "[ . 1 . 2]" 1
241 1 21 VAL MG2 1 54 MET ME 2.400 . 5.700 2.639 2.264 3.537 . 0 0 "[ . 1 . 2]" 1
242 1 21 VAL MG2 1 54 MET QG 3.400 . 7.500 4.957 4.616 5.243 . 0 0 "[ . 1 . 2]" 1
243 1 21 VAL MG2 1 55 GLY H 3.900 . 7.500 6.080 5.836 6.175 . 0 0 "[ . 1 . 2]" 1
244 1 21 VAL N 1 28 PHE O 3.000 2.500 3.300 2.839 2.796 2.913 . 0 0 "[ . 1 . 2]" 1
245 1 21 VAL O 1 28 PHE H 2.000 . 2.300 1.926 1.809 2.014 . 0 0 "[ . 1 . 2]" 1
246 1 21 VAL O 1 28 PHE N 3.000 2.500 3.300 2.898 2.768 2.990 . 0 0 "[ . 1 . 2]" 1
247 1 22 MET H 1 22 MET HA 2.900 . 3.500 2.884 2.851 2.899 . 0 0 "[ . 1 . 2]" 1
248 1 22 MET H 1 22 MET HB2 2.400 . 2.900 2.611 2.243 2.830 . 0 0 "[ . 1 . 2]" 1
249 1 22 MET H 1 22 MET HB3 2.900 . 3.500 3.586 3.513 3.635 0.135 1 0 "[ . 1 . 2]" 1
250 1 22 MET H 1 23 VAL H 3.900 . 6.000 4.421 4.392 4.471 . 0 0 "[ . 1 . 2]" 1
251 1 22 MET H 1 23 VAL MG2 3.900 . 7.500 4.406 4.284 4.544 . 0 0 "[ . 1 . 2]" 1
252 1 22 MET H 1 25 GLY H 3.900 . 6.000 6.220 6.183 6.259 0.259 15 0 "[ . 1 . 2]" 1
253 1 22 MET H 1 27 PRO HA 3.900 . 6.000 4.456 4.022 4.743 . 0 0 "[ . 1 . 2]" 1
254 1 22 MET H 1 28 PHE H 3.900 . 6.000 4.866 4.685 5.042 . 0 0 "[ . 1 . 2]" 1
255 1 22 MET H 1 43 MET ME 3.900 . 7.500 3.987 3.758 4.282 . 0 0 "[ . 1 . 2]" 1
256 1 22 MET H 1 43 MET QG 3.900 . 7.000 5.385 5.180 5.589 . 0 0 "[ . 1 . 2]" 1
257 1 22 MET HA 1 23 VAL H 2.400 . 2.900 2.092 2.085 2.099 . 0 0 "[ . 1 . 2]" 1
258 1 22 MET HA 1 23 VAL HA 3.900 . 6.000 4.374 4.367 4.382 . 0 0 "[ . 1 . 2]" 1
259 1 22 MET HA 1 23 VAL HB 3.900 . 6.000 4.505 4.422 4.580 . 0 0 "[ . 1 . 2]" 1
260 1 22 MET HA 1 23 VAL MG2 3.900 . 7.500 3.820 3.712 3.943 . 0 0 "[ . 1 . 2]" 1
261 1 22 MET HA 1 24 ALA H 3.900 . 6.000 5.524 5.414 5.628 . 0 0 "[ . 1 . 2]" 1
262 1 22 MET HA 1 25 GLY H 3.900 . 6.000 4.639 4.518 4.753 . 0 0 "[ . 1 . 2]" 1
263 1 22 MET HA 1 25 GLY QA 3.900 . 7.000 5.061 4.853 5.181 . 0 0 "[ . 1 . 2]" 1
264 1 22 MET HA 1 26 ARG H 3.400 . 5.000 4.108 3.915 4.296 . 0 0 "[ . 1 . 2]" 1
265 1 22 MET HA 1 27 PRO HA 2.400 . 2.700 2.299 1.822 2.595 . 0 0 "[ . 1 . 2]" 1
266 1 22 MET HA 1 27 PRO QB 3.900 . 7.000 3.853 3.307 4.142 . 0 0 "[ . 1 . 2]" 1
267 1 22 MET HA 1 27 PRO QD 3.900 . 7.000 4.681 4.276 4.946 . 0 0 "[ . 1 . 2]" 1
268 1 22 MET HA 1 28 PHE H 3.400 . 5.000 3.195 2.956 3.443 . 0 0 "[ . 1 . 2]" 1
269 1 22 MET HA 1 28 PHE QD 3.400 . 7.000 4.145 3.463 4.898 . 0 0 "[ . 1 . 2]" 1
270 1 22 MET HB2 1 25 GLY H 3.900 . 6.000 4.157 3.800 4.828 . 0 0 "[ . 1 . 2]" 1
271 1 22 MET HB2 1 25 GLY QA 3.900 . 7.000 4.407 4.086 4.878 . 0 0 "[ . 1 . 2]" 1
272 1 22 MET HB3 1 23 VAL H 3.400 . 5.000 3.302 3.229 3.406 . 0 0 "[ . 1 . 2]" 1
273 1 22 MET HB3 1 23 VAL HA 3.900 . 6.000 4.659 4.260 4.909 . 0 0 "[ . 1 . 2]" 1
274 1 22 MET HB3 1 25 GLY H 3.400 . 5.000 3.378 3.045 3.631 . 0 0 "[ . 1 . 2]" 1
275 1 22 MET HB3 1 25 GLY QA 3.900 . 7.000 3.348 3.208 3.471 . 0 0 "[ . 1 . 2]" 1
276 1 22 MET HB3 1 47 GLU QG 3.900 . 7.000 3.632 2.953 4.219 . 0 0 "[ . 1 . 2]" 1
277 1 22 MET ME 1 25 GLY QA 2.900 . 5.800 3.722 3.362 4.230 . 0 0 "[ . 1 . 2]" 1
278 1 22 MET ME 1 27 PRO HA 2.400 . 4.200 3.069 2.732 3.411 . 0 0 "[ . 1 . 2]" 1
279 1 22 MET ME 1 27 PRO QD 2.400 . 5.200 2.651 2.311 2.940 . 0 0 "[ . 1 . 2]" 1
280 1 22 MET QG 1 23 VAL H 3.900 . 7.000 4.520 4.346 4.757 . 0 0 "[ . 1 . 2]" 1
281 1 22 MET QG 1 25 GLY H 3.900 . 7.000 5.225 4.869 5.498 . 0 0 "[ . 1 . 2]" 1
282 1 22 MET QG 1 25 GLY QA 3.900 . 8.000 4.703 4.126 5.162 . 0 0 "[ . 1 . 2]" 1
283 1 22 MET QG 1 27 PRO HA 3.900 . 7.000 3.550 3.039 4.371 . 0 0 "[ . 1 . 2]" 1
284 1 22 MET QG 1 27 PRO QD 3.900 . 8.000 5.071 4.381 5.840 . 0 0 "[ . 1 . 2]" 1
285 1 22 MET QG 1 47 GLU HA 3.900 . 7.000 5.198 4.842 5.740 . 0 0 "[ . 1 . 2]" 1
286 1 23 VAL H 1 23 VAL HA 2.900 . 3.300 2.947 2.942 2.950 . 0 0 "[ . 1 . 2]" 1
287 1 23 VAL H 1 23 VAL HB 2.400 . 2.700 2.639 2.593 2.684 . 0 0 "[ . 1 . 2]" 1
288 1 23 VAL H 1 23 VAL MG1 3.400 . 6.500 3.814 3.761 3.842 . 0 0 "[ . 1 . 2]" 1
289 1 23 VAL H 1 23 VAL MG2 2.400 . 4.200 2.940 2.835 3.058 . 0 0 "[ . 1 . 2]" 1
290 1 23 VAL H 1 24 ALA H 3.900 . 6.000 4.059 3.978 4.123 . 0 0 "[ . 1 . 2]" 1
291 1 23 VAL H 1 24 ALA MB 3.900 . 7.500 4.727 4.678 4.770 . 0 0 "[ . 1 . 2]" 1
292 1 23 VAL H 1 25 GLY H 3.900 . 6.000 3.693 3.579 3.792 . 0 0 "[ . 1 . 2]" 1
293 1 23 VAL H 1 25 GLY QA 3.900 . 7.000 4.781 4.647 4.870 . 0 0 "[ . 1 . 2]" 1
294 1 23 VAL H 1 26 ARG H 3.400 . 5.000 2.894 2.734 3.067 . 0 0 "[ . 1 . 2]" 1
295 1 23 VAL H 1 26 ARG QB 3.900 . 7.000 3.664 3.528 3.856 . 0 0 "[ . 1 . 2]" 1
296 1 23 VAL H 1 26 ARG O 2.000 . 2.300 1.755 1.700 1.803 . 0 0 "[ . 1 . 2]" 1
297 1 23 VAL H 1 27 PRO HA 3.400 . 5.000 3.582 3.217 3.776 . 0 0 "[ . 1 . 2]" 1
298 1 23 VAL H 1 28 PHE HZ 3.400 . 5.000 4.442 4.317 4.614 . 0 0 "[ . 1 . 2]" 1
299 1 23 VAL H 1 43 MET HA 3.900 . 6.000 5.888 5.737 6.012 0.012 20 0 "[ . 1 . 2]" 1
300 1 23 VAL H 1 43 MET QG 3.900 . 7.000 4.767 4.646 4.854 . 0 0 "[ . 1 . 2]" 1
301 1 23 VAL HA 1 23 VAL HB 2.900 . 3.300 3.019 3.014 3.021 . 0 0 "[ . 1 . 2]" 1
302 1 23 VAL HA 1 23 VAL MG1 2.400 . 4.200 2.459 2.412 2.537 . 0 0 "[ . 1 . 2]" 1
303 1 23 VAL HA 1 23 VAL MG2 2.400 . 4.200 2.338 2.285 2.369 . 0 0 "[ . 1 . 2]" 1
304 1 23 VAL HA 1 26 ARG H 3.900 . 6.000 4.404 4.312 4.476 . 0 0 "[ . 1 . 2]" 1
305 1 23 VAL HA 1 43 MET HA 2.900 . 3.300 3.010 2.889 3.117 . 0 0 "[ . 1 . 2]" 1
306 1 23 VAL HA 1 43 MET QB 3.900 . 7.000 4.249 4.146 4.362 . 0 0 "[ . 1 . 2]" 1
307 1 23 VAL HA 1 43 MET ME 2.900 . 4.800 3.384 3.255 3.471 . 0 0 "[ . 1 . 2]" 1
308 1 23 VAL HA 1 43 MET QG 2.900 . 4.300 2.409 2.296 2.521 . 0 0 "[ . 1 . 2]" 1
309 1 23 VAL HA 1 47 GLU HB2 3.900 . 6.000 4.146 4.049 4.243 . 0 0 "[ . 1 . 2]" 1
310 1 23 VAL HA 1 47 GLU HB3 3.400 . 5.000 3.338 3.217 3.479 . 0 0 "[ . 1 . 2]" 1
311 1 23 VAL HB 1 26 ARG H 3.900 . 6.000 4.358 4.272 4.435 . 0 0 "[ . 1 . 2]" 1
312 1 23 VAL HB 1 28 PHE QD 2.400 . 4.700 2.321 2.034 2.634 . 0 0 "[ . 1 . 2]" 1
313 1 23 VAL HB 1 28 PHE QE 3.400 . 7.000 1.303 1.074 1.580 0.726 17 10 "[ * -* 1*** * + **]" 1
314 1 23 VAL HB 1 39 LEU HB2 3.900 . 6.000 5.356 5.194 5.487 . 0 0 "[ . 1 . 2]" 1
315 1 23 VAL HB 1 39 LEU HB3 3.900 . 6.000 3.659 3.488 3.779 . 0 0 "[ . 1 . 2]" 1
316 1 23 VAL HB 1 39 LEU MD1 3.900 . 7.500 3.021 2.798 3.218 . 0 0 "[ . 1 . 2]" 1
317 1 23 VAL HB 1 39 LEU MD2 3.900 . 7.500 3.233 2.949 3.388 . 0 0 "[ . 1 . 2]" 1
318 1 23 VAL HB 1 43 MET HA 3.900 . 6.000 5.532 5.413 5.635 . 0 0 "[ . 1 . 2]" 1
319 1 23 VAL MG1 1 24 ALA H 3.400 . 6.500 3.045 2.926 3.140 . 0 0 "[ . 1 . 2]" 1
320 1 23 VAL MG1 1 24 ALA HA 3.900 . 7.500 4.127 4.029 4.206 . 0 0 "[ . 1 . 2]" 1
321 1 23 VAL MG1 1 24 ALA MB 2.900 . 6.300 2.574 2.521 2.635 . 0 0 "[ . 1 . 2]" 1
322 1 23 VAL MG1 1 25 GLY H 3.900 . 7.500 4.611 4.498 4.679 . 0 0 "[ . 1 . 2]" 1
323 1 23 VAL MG1 1 26 ARG H 3.900 . 7.500 4.474 4.352 4.532 . 0 0 "[ . 1 . 2]" 1
324 1 23 VAL MG1 1 26 ARG QD 3.900 . 8.500 4.576 3.871 5.071 . 0 0 "[ . 1 . 2]" 1
325 1 23 VAL MG1 1 28 PHE QD 2.400 . 6.200 3.721 3.322 4.008 . 0 0 "[ . 1 . 2]" 1
326 1 23 VAL MG1 1 28 PHE QE 3.400 . 8.500 2.528 2.194 2.900 . 0 0 "[ . 1 . 2]" 1
327 1 23 VAL MG1 1 39 LEU HA 2.900 . 4.800 2.255 1.985 2.458 . 0 0 "[ . 1 . 2]" 1
328 1 23 VAL MG1 1 39 LEU MD1 3.900 . 9.000 2.729 2.452 2.860 . 0 0 "[ . 1 . 2]" 1
329 1 23 VAL MG1 1 39 LEU MD2 2.900 . 6.300 1.894 1.764 2.045 0.036 10 0 "[ . 1 . 2]" 1
330 1 23 VAL MG1 1 39 LEU HG 3.400 . 6.500 3.928 3.798 4.052 . 0 0 "[ . 1 . 2]" 1
331 1 23 VAL MG1 1 40 VAL HA 3.400 . 6.500 3.795 3.611 3.900 . 0 0 "[ . 1 . 2]" 1
332 1 23 VAL MG1 1 42 GLN H 3.400 . 6.500 3.561 3.486 3.636 . 0 0 "[ . 1 . 2]" 1
333 1 23 VAL MG1 1 42 GLN HA 3.900 . 7.500 4.508 4.387 4.710 . 0 0 "[ . 1 . 2]" 1
334 1 23 VAL MG1 1 42 GLN HB2 2.400 . 4.200 2.878 2.674 3.231 . 0 0 "[ . 1 . 2]" 1
335 1 23 VAL MG1 1 42 GLN HB3 2.900 . 4.800 2.420 2.213 2.555 . 0 0 "[ . 1 . 2]" 1
336 1 23 VAL MG1 1 42 GLN QE 3.900 . 8.500 3.826 3.325 4.470 . 0 0 "[ . 1 . 2]" 1
337 1 23 VAL MG1 1 42 GLN QG 3.400 . 7.500 3.872 3.559 4.030 . 0 0 "[ . 1 . 2]" 1
338 1 23 VAL MG1 1 43 MET H 3.400 . 6.500 3.047 2.974 3.174 . 0 0 "[ . 1 . 2]" 1
339 1 23 VAL MG1 1 43 MET HA 2.900 . 4.800 3.116 2.954 3.232 . 0 0 "[ . 1 . 2]" 1
340 1 23 VAL MG1 1 43 MET QB 3.900 . 8.500 3.865 3.657 3.971 . 0 0 "[ . 1 . 2]" 1
341 1 23 VAL MG1 1 43 MET QG 2.400 . 5.200 2.330 2.100 2.496 . 0 0 "[ . 1 . 2]" 1
342 1 23 VAL MG1 1 44 THR H 3.900 . 7.500 4.930 4.800 5.031 . 0 0 "[ . 1 . 2]" 1
343 1 23 VAL MG2 1 24 ALA H 3.900 . 7.500 4.037 3.955 4.095 . 0 0 "[ . 1 . 2]" 1
344 1 23 VAL MG2 1 25 GLY H 3.900 . 7.500 5.211 5.141 5.265 . 0 0 "[ . 1 . 2]" 1
345 1 23 VAL MG2 1 26 ARG H 3.900 . 7.500 5.130 5.015 5.223 . 0 0 "[ . 1 . 2]" 1
346 1 23 VAL MG2 1 26 ARG QD 3.900 . 8.500 6.043 5.633 6.393 . 0 0 "[ . 1 . 2]" 1
347 1 23 VAL MG2 1 28 PHE HB2 2.900 . 4.800 3.712 3.570 3.846 . 0 0 "[ . 1 . 2]" 1
348 1 23 VAL MG2 1 28 PHE QD 2.400 . 6.200 2.388 2.274 2.564 . 0 0 "[ . 1 . 2]" 1
349 1 23 VAL MG2 1 28 PHE QE 3.400 . 8.500 3.019 2.740 3.276 . 0 0 "[ . 1 . 2]" 1
350 1 23 VAL MG2 1 33 VAL HB 3.400 . 6.500 3.857 3.755 4.014 . 0 0 "[ . 1 . 2]" 1
351 1 23 VAL MG2 1 39 LEU HA 3.900 . 7.500 3.892 3.620 4.176 . 0 0 "[ . 1 . 2]" 1
352 1 23 VAL MG2 1 39 LEU HB2 2.900 . 4.800 3.447 3.228 3.640 . 0 0 "[ . 1 . 2]" 1
353 1 23 VAL MG2 1 39 LEU HB3 2.400 . 4.200 2.033 1.787 2.305 0.013 7 0 "[ . 1 . 2]" 1
354 1 23 VAL MG2 1 39 LEU MD1 2.900 . 6.300 2.360 2.191 2.558 . 0 0 "[ . 1 . 2]" 1
355 1 23 VAL MG2 1 39 LEU HG 3.900 . 7.500 4.461 4.286 4.724 . 0 0 "[ . 1 . 2]" 1
356 1 23 VAL MG2 1 40 VAL H 3.900 . 7.500 4.322 4.142 4.497 . 0 0 "[ . 1 . 2]" 1
357 1 23 VAL MG2 1 40 VAL HA 3.400 . 6.500 3.547 3.309 3.669 . 0 0 "[ . 1 . 2]" 1
358 1 23 VAL MG2 1 42 GLN H 3.900 . 7.500 5.044 4.800 5.230 . 0 0 "[ . 1 . 2]" 1
359 1 23 VAL MG2 1 43 MET H 3.900 . 7.500 4.283 4.052 4.474 . 0 0 "[ . 1 . 2]" 1
360 1 23 VAL MG2 1 43 MET HA 3.400 . 6.500 3.975 3.811 4.079 . 0 0 "[ . 1 . 2]" 1
361 1 23 VAL MG2 1 43 MET QB 3.400 . 7.500 3.928 3.716 4.039 . 0 0 "[ . 1 . 2]" 1
362 1 23 VAL MG2 1 43 MET ME 2.400 . 5.700 1.703 1.585 1.813 0.215 5 0 "[ . 1 . 2]" 1
363 1 23 VAL MG2 1 43 MET QG 2.400 . 5.200 1.992 1.730 2.122 0.070 8 0 "[ . 1 . 2]" 1
364 1 23 VAL MG2 1 44 THR H 3.900 . 7.500 5.534 5.398 5.667 . 0 0 "[ . 1 . 2]" 1
365 1 23 VAL MG2 1 51 TYR QD 3.900 . 9.500 4.928 4.735 5.037 . 0 0 "[ . 1 . 2]" 1
366 1 23 VAL MG2 1 51 TYR QE 3.900 . 9.500 5.618 5.301 5.720 . 0 0 "[ . 1 . 2]" 1
367 1 23 VAL N 1 26 ARG O 3.000 2.500 3.300 2.722 2.682 2.787 . 0 0 "[ . 1 . 2]" 1
368 1 23 VAL O 1 26 ARG H 2.000 . 2.300 2.214 2.046 2.321 0.021 19 0 "[ . 1 . 2]" 1
369 1 23 VAL O 1 26 ARG N 3.000 2.500 3.300 3.123 2.985 3.224 . 0 0 "[ . 1 . 2]" 1
370 1 24 ALA H 1 25 GLY H 3.400 . 5.000 2.534 2.478 2.586 . 0 0 "[ . 1 . 2]" 1
371 1 24 ALA H 1 25 GLY QA 3.900 . 7.000 4.455 4.403 4.500 . 0 0 "[ . 1 . 2]" 1
372 1 24 ALA H 1 26 ARG H 3.900 . 6.000 4.030 3.967 4.093 . 0 0 "[ . 1 . 2]" 1
373 1 24 ALA H 1 28 PHE HZ 3.900 . 6.000 6.156 6.131 6.189 0.189 13 0 "[ . 1 . 2]" 1
374 1 24 ALA H 1 43 MET H 3.900 . 6.000 4.810 4.688 4.909 . 0 0 "[ . 1 . 2]" 1
375 1 24 ALA H 1 43 MET HA 3.400 . 5.000 2.563 2.359 2.731 . 0 0 "[ . 1 . 2]" 1
376 1 24 ALA H 1 43 MET QG 3.900 . 7.000 3.448 3.284 3.577 . 0 0 "[ . 1 . 2]" 1
377 1 24 ALA H 1 44 THR H 3.900 . 6.000 3.335 3.190 3.487 . 0 0 "[ . 1 . 2]" 1
378 1 24 ALA H 1 47 GLU H 3.900 . 6.000 5.972 5.789 6.041 0.041 17 0 "[ . 1 . 2]" 1
379 1 24 ALA H 1 47 GLU HB2 3.900 . 6.000 4.013 3.814 4.124 . 0 0 "[ . 1 . 2]" 1
380 1 24 ALA H 1 47 GLU QG 3.900 . 7.000 3.902 3.849 3.995 . 0 0 "[ . 1 . 2]" 1
381 1 24 ALA HA 1 25 GLY H 2.400 . 2.900 2.939 2.918 2.979 0.079 15 0 "[ . 1 . 2]" 1
382 1 24 ALA HA 1 25 GLY QA 3.900 . 7.000 4.019 4.005 4.046 . 0 0 "[ . 1 . 2]" 1
383 1 24 ALA HA 1 44 THR H 3.400 . 5.000 3.993 3.777 4.212 . 0 0 "[ . 1 . 2]" 1
384 1 24 ALA HA 1 44 THR HA 3.900 . 6.000 5.669 5.367 6.000 . 0 0 "[ . 1 . 2]" 1
385 1 24 ALA MB 1 25 GLY H 3.400 . 6.500 3.635 3.609 3.654 . 0 0 "[ . 1 . 2]" 1
386 1 24 ALA MB 1 25 GLY QA 3.900 . 8.500 4.121 4.096 4.148 . 0 0 "[ . 1 . 2]" 1
387 1 24 ALA MB 1 42 GLN HA 3.900 . 7.500 4.135 3.917 4.365 . 0 0 "[ . 1 . 2]" 1
388 1 24 ALA MB 1 42 GLN HB2 2.900 . 4.800 3.839 3.795 3.890 . 0 0 "[ . 1 . 2]" 1
389 1 24 ALA MB 1 42 GLN HB3 2.900 . 4.800 2.334 2.253 2.498 . 0 0 "[ . 1 . 2]" 1
390 1 24 ALA MB 1 42 GLN QG 3.400 . 7.500 2.880 2.076 3.249 . 0 0 "[ . 1 . 2]" 1
391 1 24 ALA MB 1 43 MET HA 3.400 . 6.500 4.011 3.711 4.243 . 0 0 "[ . 1 . 2]" 1
392 1 25 GLY H 1 26 ARG H 3.400 . 5.000 2.449 2.386 2.506 . 0 0 "[ . 1 . 2]" 1
393 1 25 GLY H 1 26 ARG HA 3.900 . 6.000 5.037 4.993 5.059 . 0 0 "[ . 1 . 2]" 1
394 1 25 GLY H 1 28 PHE HZ 3.900 . 6.000 6.084 6.053 6.103 0.103 13 0 "[ . 1 . 2]" 1
395 1 25 GLY H 1 43 MET HA 3.900 . 6.000 4.969 4.843 5.092 . 0 0 "[ . 1 . 2]" 1
396 1 25 GLY H 1 44 THR H 3.900 . 6.000 4.993 4.807 5.160 . 0 0 "[ . 1 . 2]" 1
397 1 25 GLY H 1 44 THR MG 3.900 . 7.500 4.318 3.917 4.687 . 0 0 "[ . 1 . 2]" 1
398 1 25 GLY QA 1 26 ARG H 3.400 . 6.000 2.913 2.889 2.929 . 0 0 "[ . 1 . 2]" 1
399 1 25 GLY QA 1 26 ARG HA 3.900 . 7.000 3.989 3.982 3.994 . 0 0 "[ . 1 . 2]" 1
400 1 25 GLY QA 1 26 ARG QB 3.400 . 7.000 4.679 4.517 4.746 . 0 0 "[ . 1 . 2]" 1
401 1 26 ARG H 1 27 PRO QD 3.400 . 6.000 4.286 4.157 4.380 . 0 0 "[ . 1 . 2]" 1
402 1 26 ARG H 1 28 PHE H 3.900 . 6.000 5.971 5.802 6.042 0.042 7 0 "[ . 1 . 2]" 1
403 1 26 ARG HA 1 27 PRO QD 2.400 . 3.700 1.913 1.842 1.962 . 0 0 "[ . 1 . 2]" 1
404 1 26 ARG HA 1 27 PRO QG 3.900 . 7.000 3.857 3.770 3.907 . 0 0 "[ . 1 . 2]" 1
405 1 26 ARG QB 1 27 PRO QD 2.900 . 5.300 2.638 2.422 2.926 . 0 0 "[ . 1 . 2]" 1
406 1 26 ARG QB 1 28 PHE QE 3.400 . 8.000 2.423 2.165 2.642 . 0 0 "[ . 1 . 2]" 1
407 1 26 ARG QB 1 28 PHE HZ 2.900 . 4.300 1.938 1.841 2.049 . 0 0 "[ . 1 . 2]" 1
408 1 26 ARG QD 1 28 PHE QE 3.400 . 8.000 3.181 2.688 3.954 . 0 0 "[ . 1 . 2]" 1
409 1 26 ARG QD 1 28 PHE HZ 2.900 . 4.300 2.223 1.577 2.948 0.223 14 0 "[ . 1 . 2]" 1
410 1 26 ARG QD 1 39 LEU MD1 3.900 . 8.500 5.849 5.293 6.137 . 0 0 "[ . 1 . 2]" 1
411 1 26 ARG QD 1 39 LEU MD2 3.900 . 8.500 4.941 4.395 5.329 . 0 0 "[ . 1 . 2]" 1
412 1 26 ARG QG 1 27 PRO QD 3.400 . 7.000 3.701 3.226 4.085 . 0 0 "[ . 1 . 2]" 1
413 1 26 ARG QG 1 28 PHE QE 3.900 . 9.000 3.917 3.509 4.165 . 0 0 "[ . 1 . 2]" 1
414 1 26 ARG QG 1 28 PHE HZ 3.400 . 6.000 3.472 3.057 3.782 . 0 0 "[ . 1 . 2]" 1
415 1 27 PRO HA 1 28 PHE H 2.400 . 2.900 2.156 2.137 2.174 . 0 0 "[ . 1 . 2]" 1
416 1 27 PRO HA 1 28 PHE HB3 3.900 . 6.000 5.753 5.725 5.785 . 0 0 "[ . 1 . 2]" 1
417 1 27 PRO HA 1 28 PHE QD 2.900 . 5.300 4.245 3.802 4.610 . 0 0 "[ . 1 . 2]" 1
418 1 27 PRO QB 1 28 PHE H 3.400 . 6.000 3.501 3.389 3.567 . 0 0 "[ . 1 . 2]" 1
419 1 27 PRO QB 1 28 PHE HA 3.900 . 7.000 4.224 4.146 4.253 . 0 0 "[ . 1 . 2]" 1
420 1 27 PRO QD 1 28 PHE H 3.900 . 7.000 4.808 4.711 4.884 . 0 0 "[ . 1 . 2]" 1
421 1 28 PHE H 1 28 PHE HA 2.900 . 3.500 2.948 2.938 2.952 . 0 0 "[ . 1 . 2]" 1
422 1 28 PHE H 1 28 PHE HB2 2.400 . 2.900 2.957 2.930 2.987 0.087 19 0 "[ . 1 . 2]" 1
423 1 28 PHE H 1 28 PHE HB3 3.400 . 5.000 3.867 3.845 3.905 . 0 0 "[ . 1 . 2]" 1
424 1 28 PHE H 1 33 VAL MG2 3.900 . 7.500 4.079 3.851 4.218 . 0 0 "[ . 1 . 2]" 1
425 1 28 PHE H 1 39 LEU MD1 3.900 . 7.500 5.281 4.969 5.515 . 0 0 "[ . 1 . 2]" 1
426 1 28 PHE HA 1 28 PHE HB2 2.900 . 3.300 2.993 2.980 3.001 . 0 0 "[ . 1 . 2]" 1
427 1 28 PHE HA 1 28 PHE HB3 2.400 . 2.700 2.331 2.314 2.341 . 0 0 "[ . 1 . 2]" 1
428 1 28 PHE HA 1 29 SER H 2.400 . 2.900 2.589 2.520 2.689 . 0 0 "[ . 1 . 2]" 1
429 1 28 PHE HA 1 33 VAL MG2 3.400 . 6.500 4.944 4.782 5.123 . 0 0 "[ . 1 . 2]" 1
430 1 28 PHE HB2 1 29 SER H 3.400 . 5.000 2.861 2.624 3.001 . 0 0 "[ . 1 . 2]" 1
431 1 28 PHE HB2 1 29 SER HA 3.900 . 6.000 4.624 4.547 4.661 . 0 0 "[ . 1 . 2]" 1
432 1 28 PHE HB2 1 29 SER HB3 3.900 . 6.000 5.954 5.788 6.044 0.044 4 0 "[ . 1 . 2]" 1
433 1 28 PHE HB2 1 32 GLU H 3.900 . 6.000 5.519 5.174 5.744 . 0 0 "[ . 1 . 2]" 1
434 1 28 PHE HB2 1 32 GLU HB2 3.900 . 6.000 3.911 3.609 4.183 . 0 0 "[ . 1 . 2]" 1
435 1 28 PHE HB2 1 32 GLU HB3 3.900 . 6.000 4.254 3.936 4.508 . 0 0 "[ . 1 . 2]" 1
436 1 28 PHE HB2 1 33 VAL H 3.900 . 6.000 4.343 4.140 4.577 . 0 0 "[ . 1 . 2]" 1
437 1 28 PHE HB2 1 33 VAL MG2 2.900 . 4.800 2.609 2.442 2.806 . 0 0 "[ . 1 . 2]" 1
438 1 28 PHE HB2 1 39 LEU MD1 3.900 . 7.500 3.339 2.965 3.596 . 0 0 "[ . 1 . 2]" 1
439 1 28 PHE HB3 1 29 SER H 2.400 . 2.900 2.316 2.243 2.423 . 0 0 "[ . 1 . 2]" 1
440 1 28 PHE HB3 1 29 SER HA 3.900 . 6.000 4.916 4.874 4.979 . 0 0 "[ . 1 . 2]" 1
441 1 28 PHE HB3 1 29 SER HB3 3.900 . 6.000 5.832 5.793 5.902 . 0 0 "[ . 1 . 2]" 1
442 1 28 PHE HB3 1 32 GLU H 3.900 . 6.000 5.803 5.626 6.005 0.005 19 0 "[ . 1 . 2]" 1
443 1 28 PHE HB3 1 32 GLU HB2 3.900 . 6.000 3.855 3.663 4.092 . 0 0 "[ . 1 . 2]" 1
444 1 28 PHE HB3 1 32 GLU HB3 3.900 . 6.000 4.041 3.788 4.353 . 0 0 "[ . 1 . 2]" 1
445 1 28 PHE HB3 1 33 VAL H 3.900 . 6.000 5.224 4.951 5.504 . 0 0 "[ . 1 . 2]" 1
446 1 28 PHE HB3 1 33 VAL MG2 2.900 . 4.800 3.808 3.533 4.009 . 0 0 "[ . 1 . 2]" 1
447 1 28 PHE QD 1 29 SER H 3.400 . 7.000 4.228 4.187 4.293 . 0 0 "[ . 1 . 2]" 1
448 1 28 PHE QD 1 32 GLU HB3 3.400 . 7.000 5.207 4.817 5.581 . 0 0 "[ . 1 . 2]" 1
449 1 28 PHE QD 1 32 GLU QG 3.400 . 8.000 5.565 5.270 5.834 . 0 0 "[ . 1 . 2]" 1
450 1 28 PHE QD 1 33 VAL MG2 2.900 . 6.800 2.777 2.273 3.206 . 0 0 "[ . 1 . 2]" 1
451 1 28 PHE QD 1 39 LEU HB3 3.400 . 7.000 4.358 3.764 5.005 . 0 0 "[ . 1 . 2]" 1
452 1 28 PHE QD 1 39 LEU MD1 2.400 . 6.200 2.725 2.137 3.382 . 0 0 "[ . 1 . 2]" 1
453 1 28 PHE QD 1 39 LEU MD2 2.400 . 6.200 4.008 3.370 4.458 . 0 0 "[ . 1 . 2]" 1
454 1 28 PHE QD 1 39 LEU HG 3.400 . 7.000 5.585 5.050 6.116 . 0 0 "[ . 1 . 2]" 1
455 1 28 PHE QD 1 43 MET ME 3.400 . 8.500 4.540 4.450 4.645 . 0 0 "[ . 1 . 2]" 1
456 1 28 PHE QE 1 33 VAL MG2 3.900 . 9.500 4.326 3.914 4.627 . 0 0 "[ . 1 . 2]" 1
457 1 28 PHE QE 1 39 LEU MD1 3.400 . 8.500 3.225 2.618 3.724 . 0 0 "[ . 1 . 2]" 1
458 1 28 PHE QE 1 39 LEU MD2 2.900 . 6.800 3.152 2.487 3.819 . 0 0 "[ . 1 . 2]" 1
459 1 28 PHE QE 1 39 LEU HG 3.900 . 8.000 5.592 5.027 6.131 . 0 0 "[ . 1 . 2]" 1
460 1 29 SER H 1 29 SER HA 2.900 . 3.500 2.862 2.848 2.880 . 0 0 "[ . 1 . 2]" 1
461 1 29 SER H 1 29 SER HB2 2.400 . 2.900 2.737 2.580 2.849 . 0 0 "[ . 1 . 2]" 1
462 1 29 SER H 1 29 SER HB3 3.400 . 5.000 3.565 3.528 3.607 . 0 0 "[ . 1 . 2]" 1
463 1 29 SER H 1 30 TYR H 3.900 . 6.000 4.594 4.578 4.611 . 0 0 "[ . 1 . 2]" 1
464 1 29 SER H 1 32 GLU H 3.900 . 6.000 4.470 4.363 4.601 . 0 0 "[ . 1 . 2]" 1
465 1 29 SER H 1 32 GLU HB2 3.400 . 5.000 3.047 2.917 3.283 . 0 0 "[ . 1 . 2]" 1
466 1 29 SER H 1 32 GLU HB3 3.400 . 5.000 4.169 3.995 4.433 . 0 0 "[ . 1 . 2]" 1
467 1 29 SER H 1 33 VAL H 3.900 . 6.000 4.854 4.714 5.018 . 0 0 "[ . 1 . 2]" 1
468 1 29 SER H 1 33 VAL MG2 3.400 . 6.500 4.072 3.921 4.319 . 0 0 "[ . 1 . 2]" 1
469 1 29 SER H 1 39 LEU MD1 3.900 . 7.500 5.124 4.716 5.446 . 0 0 "[ . 1 . 2]" 1
470 1 29 SER HA 1 29 SER HB2 2.900 . 3.300 2.998 2.979 3.021 . 0 0 "[ . 1 . 2]" 1
471 1 29 SER HA 1 29 SER HB3 2.400 . 2.700 2.342 2.304 2.403 . 0 0 "[ . 1 . 2]" 1
472 1 29 SER HA 1 30 TYR H 2.400 . 2.900 2.238 2.207 2.268 . 0 0 "[ . 1 . 2]" 1
473 1 29 SER HA 1 30 TYR HA 3.900 . 6.000 4.315 4.302 4.328 . 0 0 "[ . 1 . 2]" 1
474 1 29 SER HA 1 30 TYR HB2 3.900 . 6.000 4.779 4.681 4.865 . 0 0 "[ . 1 . 2]" 1
475 1 29 SER HA 1 30 TYR HB3 3.900 . 6.000 4.518 4.487 4.564 . 0 0 "[ . 1 . 2]" 1
476 1 29 SER HA 1 30 TYR QD 3.900 . 8.000 5.947 5.935 5.967 . 0 0 "[ . 1 . 2]" 1
477 1 29 SER HA 1 31 SER H 3.400 . 5.000 4.197 4.088 4.302 . 0 0 "[ . 1 . 2]" 1
478 1 29 SER HA 1 32 GLU HB3 3.900 . 6.000 6.065 6.004 6.154 0.154 12 0 "[ . 1 . 2]" 1
479 1 29 SER HA 1 33 VAL MG2 3.900 . 7.500 4.577 4.480 4.729 . 0 0 "[ . 1 . 2]" 1
480 1 29 SER HB2 1 30 TYR H 3.400 . 5.000 3.743 3.604 3.861 . 0 0 "[ . 1 . 2]" 1
481 1 29 SER HB2 1 32 GLU HB2 3.900 . 6.000 2.350 2.165 2.501 . 0 0 "[ . 1 . 2]" 1
482 1 29 SER HB3 1 32 GLU HB3 3.900 . 6.000 5.718 5.412 5.910 . 0 0 "[ . 1 . 2]" 1
483 1 29 SER O 1 33 VAL H 2.000 . 2.300 2.166 2.071 2.280 . 0 0 "[ . 1 . 2]" 1
484 1 29 SER O 1 33 VAL N 3.000 2.500 3.300 3.107 3.035 3.199 . 0 0 "[ . 1 . 2]" 1
485 1 30 TYR H 1 30 TYR HA 2.900 . 3.500 2.829 2.817 2.848 . 0 0 "[ . 1 . 2]" 1
486 1 30 TYR H 1 30 TYR HB2 2.400 . 2.900 2.820 2.738 2.905 0.005 5 0 "[ . 1 . 2]" 1
487 1 30 TYR H 1 30 TYR HB3 2.400 . 2.900 2.295 2.271 2.340 . 0 0 "[ . 1 . 2]" 1
488 1 30 TYR H 1 31 SER H 3.400 . 5.000 2.646 2.567 2.714 . 0 0 "[ . 1 . 2]" 1
489 1 30 TYR H 1 32 GLU H 3.900 . 6.000 4.031 3.898 4.190 . 0 0 "[ . 1 . 2]" 1
490 1 30 TYR H 1 32 GLU QG 3.900 . 7.000 5.708 5.356 5.890 . 0 0 "[ . 1 . 2]" 1
491 1 30 TYR H 1 33 VAL H 3.900 . 6.000 4.848 4.765 4.930 . 0 0 "[ . 1 . 2]" 1
492 1 30 TYR H 1 33 VAL HB 3.900 . 6.000 5.712 5.593 5.897 . 0 0 "[ . 1 . 2]" 1
493 1 30 TYR H 1 33 VAL MG2 3.900 . 7.500 4.376 4.303 4.494 . 0 0 "[ . 1 . 2]" 1
494 1 30 TYR HA 1 30 TYR HB2 2.400 . 2.700 2.336 2.313 2.359 . 0 0 "[ . 1 . 2]" 1
495 1 30 TYR HA 1 30 TYR HB3 2.900 . 3.300 2.999 2.991 3.007 . 0 0 "[ . 1 . 2]" 1
496 1 30 TYR HA 1 33 VAL H 3.400 . 5.000 3.268 3.159 3.349 . 0 0 "[ . 1 . 2]" 1
497 1 30 TYR HA 1 33 VAL HB 2.900 . 3.300 3.020 2.855 3.167 . 0 0 "[ . 1 . 2]" 1
498 1 30 TYR HA 1 33 VAL MG1 3.900 . 7.500 4.396 4.280 4.519 . 0 0 "[ . 1 . 2]" 1
499 1 30 TYR HA 1 33 VAL MG2 3.400 . 6.500 2.725 2.627 2.817 . 0 0 "[ . 1 . 2]" 1
500 1 30 TYR HA 1 51 TYR QD 3.400 . 7.000 3.878 3.733 4.157 . 0 0 "[ . 1 . 2]" 1
501 1 30 TYR HB2 1 31 SER H 3.400 . 5.000 4.053 3.977 4.119 . 0 0 "[ . 1 . 2]" 1
502 1 30 TYR HB2 1 33 VAL HB 3.900 . 6.000 5.022 4.841 5.205 . 0 0 "[ . 1 . 2]" 1
503 1 30 TYR HB2 1 51 TYR QD 3.900 . 8.000 4.280 3.953 4.502 . 0 0 "[ . 1 . 2]" 1
504 1 30 TYR HB2 1 51 TYR QE 3.900 . 8.000 5.497 4.997 5.761 . 0 0 "[ . 1 . 2]" 1
505 1 30 TYR HB2 1 54 MET ME 2.900 . 4.800 3.241 2.678 3.892 . 0 0 "[ . 1 . 2]" 1
506 1 30 TYR HB3 1 31 SER H 2.900 . 3.500 2.750 2.632 2.849 . 0 0 "[ . 1 . 2]" 1
507 1 30 TYR HB3 1 33 VAL HB 3.900 . 6.000 5.800 5.658 5.915 . 0 0 "[ . 1 . 2]" 1
508 1 30 TYR QD 1 31 SER H 3.400 . 7.000 3.030 2.849 3.263 . 0 0 "[ . 1 . 2]" 1
509 1 30 TYR QD 1 31 SER HA 3.400 . 7.000 3.192 3.014 3.330 . 0 0 "[ . 1 . 2]" 1
510 1 30 TYR QD 1 32 GLU H 3.900 . 8.000 5.122 4.919 5.291 . 0 0 "[ . 1 . 2]" 1
511 1 30 TYR QD 1 33 VAL H 3.900 . 8.000 5.305 5.187 5.384 . 0 0 "[ . 1 . 2]" 1
512 1 30 TYR QD 1 33 VAL HB 3.900 . 8.000 4.155 3.962 4.343 . 0 0 "[ . 1 . 2]" 1
513 1 30 TYR QD 1 33 VAL MG1 3.900 . 9.500 4.860 4.675 5.033 . 0 0 "[ . 1 . 2]" 1
514 1 30 TYR QD 1 33 VAL MG2 3.400 . 8.500 4.517 4.406 4.611 . 0 0 "[ . 1 . 2]" 1
515 1 30 TYR QD 1 34 SER H 3.900 . 8.000 4.752 4.638 4.916 . 0 0 "[ . 1 . 2]" 1
516 1 30 TYR QD 1 34 SER HA 3.400 . 7.000 5.783 5.599 6.010 . 0 0 "[ . 1 . 2]" 1
517 1 30 TYR QD 1 34 SER QB 3.400 . 8.000 4.538 4.253 4.765 . 0 0 "[ . 1 . 2]" 1
518 1 30 TYR QD 1 43 MET ME 3.900 . 9.500 4.369 4.236 4.499 . 0 0 "[ . 1 . 2]" 1
519 1 30 TYR QD 1 51 TYR HA 3.400 . 7.000 3.561 3.349 3.892 . 0 0 "[ . 1 . 2]" 1
520 1 30 TYR QD 1 51 TYR QD 3.400 . 9.000 2.103 1.900 2.313 . 0 0 "[ . 1 . 2]" 1
521 1 30 TYR QD 1 51 TYR QE 2.900 . 7.300 3.597 2.956 3.890 . 0 0 "[ . 1 . 2]" 1
522 1 30 TYR QD 1 54 MET H 3.900 . 8.000 5.970 5.838 6.290 . 0 0 "[ . 1 . 2]" 1
523 1 30 TYR QD 1 54 MET HB2 3.400 . 7.000 4.056 3.841 4.443 . 0 0 "[ . 1 . 2]" 1
524 1 30 TYR QD 1 54 MET HB3 3.400 . 7.000 4.400 4.201 4.929 . 0 0 "[ . 1 . 2]" 1
525 1 30 TYR QD 1 54 MET ME 2.900 . 6.800 2.696 2.349 3.487 . 0 0 "[ . 1 . 2]" 1
526 1 30 TYR QD 1 54 MET QG 3.400 . 8.000 5.301 4.990 5.803 . 0 0 "[ . 1 . 2]" 1
527 1 30 TYR QD 1 55 GLY H 3.900 . 8.000 5.075 4.825 5.478 . 0 0 "[ . 1 . 2]" 1
528 1 30 TYR QD 1 55 GLY QA 2.900 . 6.300 4.824 4.200 5.089 . 0 0 "[ . 1 . 2]" 1
529 1 30 TYR QD 1 58 MET ME 3.400 . 8.500 3.347 3.015 3.716 . 0 0 "[ . 1 . 2]" 1
530 1 30 TYR QE 1 31 SER H 3.900 . 8.000 5.092 4.879 5.331 . 0 0 "[ . 1 . 2]" 1
531 1 30 TYR QE 1 33 VAL MG1 3.400 . 8.500 5.466 5.212 5.632 . 0 0 "[ . 1 . 2]" 1
532 1 30 TYR QE 1 33 VAL MG2 3.900 . 9.500 5.852 5.741 5.943 . 0 0 "[ . 1 . 2]" 1
533 1 30 TYR QE 1 34 SER H 3.900 . 8.000 5.176 4.992 5.352 . 0 0 "[ . 1 . 2]" 1
534 1 30 TYR QE 1 34 SER HA 3.400 . 7.000 5.257 5.068 5.464 . 0 0 "[ . 1 . 2]" 1
535 1 30 TYR QE 1 34 SER QB 3.400 . 8.000 3.970 3.531 4.329 . 0 0 "[ . 1 . 2]" 1
536 1 30 TYR QE 1 43 MET ME 3.900 . 9.500 5.118 4.974 5.413 . 0 0 "[ . 1 . 2]" 1
537 1 30 TYR QE 1 51 TYR HA 3.400 . 7.000 3.664 3.314 4.420 . 0 0 "[ . 1 . 2]" 1
538 1 30 TYR QE 1 51 TYR QD 2.900 . 7.300 2.553 2.343 2.934 . 0 0 "[ . 1 . 2]" 1
539 1 30 TYR QE 1 51 TYR QE 2.900 . 7.300 3.059 2.644 3.434 . 0 0 "[ . 1 . 2]" 1
540 1 30 TYR QE 1 52 ILE HA 3.400 . 7.000 4.608 4.453 4.793 . 0 0 "[ . 1 . 2]" 1
541 1 30 TYR QE 1 52 ILE MG 3.900 . 9.500 6.401 6.264 6.492 . 0 0 "[ . 1 . 2]" 1
542 1 30 TYR QE 1 54 MET H 3.900 . 8.000 4.905 4.554 5.347 . 0 0 "[ . 1 . 2]" 1
543 1 30 TYR QE 1 54 MET HB2 3.400 . 7.000 3.426 2.837 4.232 . 0 0 "[ . 1 . 2]" 1
544 1 30 TYR QE 1 54 MET HB3 3.400 . 7.000 3.903 3.469 4.665 . 0 0 "[ . 1 . 2]" 1
545 1 30 TYR QE 1 54 MET ME 2.900 . 6.800 3.534 3.088 4.482 . 0 0 "[ . 1 . 2]" 1
546 1 30 TYR QE 1 54 MET QG 3.400 . 8.000 5.209 4.760 5.908 . 0 0 "[ . 1 . 2]" 1
547 1 30 TYR QE 1 55 GLY H 3.900 . 8.000 3.200 3.070 3.415 . 0 0 "[ . 1 . 2]" 1
548 1 30 TYR QE 1 55 GLY QA 3.400 . 8.000 3.020 2.412 3.323 . 0 0 "[ . 1 . 2]" 1
549 1 30 TYR QE 1 58 MET ME 3.400 . 8.500 3.168 2.708 3.599 . 0 0 "[ . 1 . 2]" 1
550 1 31 SER H 1 32 GLU H 3.400 . 5.000 2.656 2.591 2.709 . 0 0 "[ . 1 . 2]" 1
551 1 31 SER H 1 32 GLU HB2 3.900 . 6.000 4.513 4.478 4.563 . 0 0 "[ . 1 . 2]" 1
552 1 31 SER H 1 32 GLU HB3 3.900 . 6.000 6.031 6.008 6.076 0.076 19 0 "[ . 1 . 2]" 1
553 1 31 SER H 1 33 VAL H 3.900 . 6.000 4.362 4.151 4.573 . 0 0 "[ . 1 . 2]" 1
554 1 31 SER H 1 33 VAL HB 3.900 . 6.000 5.708 5.541 5.850 . 0 0 "[ . 1 . 2]" 1
555 1 31 SER H 1 33 VAL MG2 3.900 . 7.500 4.908 4.816 5.000 . 0 0 "[ . 1 . 2]" 1
556 1 31 SER H 1 34 SER H 3.900 . 6.000 4.861 4.733 5.138 . 0 0 "[ . 1 . 2]" 1
557 1 31 SER H 1 34 SER QB 3.900 . 7.000 5.367 5.062 5.894 . 0 0 "[ . 1 . 2]" 1
558 1 31 SER QB 1 32 GLU H 3.400 . 6.000 2.754 2.541 3.315 . 0 0 "[ . 1 . 2]" 1
559 1 31 SER QB 1 32 GLU HB3 3.900 . 7.000 5.534 5.427 5.910 . 0 0 "[ . 1 . 2]" 1
560 1 32 GLU H 1 32 GLU HA 2.900 . 3.500 2.829 2.779 2.894 . 0 0 "[ . 1 . 2]" 1
561 1 32 GLU H 1 32 GLU HB2 2.400 . 2.900 2.160 2.133 2.254 . 0 0 "[ . 1 . 2]" 1
562 1 32 GLU H 1 32 GLU HB3 2.900 . 3.500 3.464 3.439 3.513 0.013 19 0 "[ . 1 . 2]" 1
563 1 32 GLU H 1 33 VAL H 2.400 . 2.900 2.663 2.406 2.829 . 0 0 "[ . 1 . 2]" 1
564 1 32 GLU H 1 33 VAL HA 3.900 . 6.000 5.260 5.047 5.397 . 0 0 "[ . 1 . 2]" 1
565 1 32 GLU H 1 33 VAL HB 3.900 . 6.000 5.032 4.771 5.241 . 0 0 "[ . 1 . 2]" 1
566 1 32 GLU H 1 33 VAL MG1 3.900 . 7.500 5.917 5.698 6.071 . 0 0 "[ . 1 . 2]" 1
567 1 32 GLU H 1 33 VAL MG2 3.400 . 6.500 3.859 3.604 4.041 . 0 0 "[ . 1 . 2]" 1
568 1 32 GLU H 1 34 SER H 3.900 . 6.000 4.017 3.789 4.223 . 0 0 "[ . 1 . 2]" 1
569 1 32 GLU HA 1 33 VAL H 3.400 . 5.000 3.556 3.532 3.572 . 0 0 "[ . 1 . 2]" 1
570 1 32 GLU HA 1 33 VAL MG2 3.900 . 7.500 4.835 4.768 4.883 . 0 0 "[ . 1 . 2]" 1
571 1 32 GLU HA 1 35 GLN HB2 3.400 . 5.000 3.214 2.892 3.578 . 0 0 "[ . 1 . 2]" 1
572 1 32 GLU HA 1 35 GLN HB3 3.900 . 6.000 4.637 4.290 5.132 . 0 0 "[ . 1 . 2]" 1
573 1 32 GLU HA 1 35 GLN QG 3.900 . 7.000 4.714 3.901 5.285 . 0 0 "[ . 1 . 2]" 1
574 1 32 GLU HA 1 36 ARG QD 3.900 . 7.000 4.600 4.001 4.925 . 0 0 "[ . 1 . 2]" 1
575 1 32 GLU HA 1 36 ARG QG 3.900 . 7.000 3.628 2.974 4.496 . 0 0 "[ . 1 . 2]" 1
576 1 32 GLU HA 1 39 LEU MD1 3.900 . 7.500 5.055 4.929 5.325 . 0 0 "[ . 1 . 2]" 1
577 1 32 GLU HB2 1 33 VAL H 3.400 . 5.000 2.659 2.465 2.753 . 0 0 "[ . 1 . 2]" 1
578 1 32 GLU HB2 1 33 VAL HA 3.900 . 6.000 4.689 4.578 4.730 . 0 0 "[ . 1 . 2]" 1
579 1 32 GLU HB2 1 33 VAL MG2 3.900 . 7.500 3.302 3.133 3.386 . 0 0 "[ . 1 . 2]" 1
580 1 32 GLU HB2 1 36 ARG QD 3.400 . 6.000 4.808 4.130 5.035 . 0 0 "[ . 1 . 2]" 1
581 1 32 GLU HB2 1 39 LEU MD1 3.900 . 7.500 4.278 3.882 4.472 . 0 0 "[ . 1 . 2]" 1
582 1 32 GLU HB3 1 33 VAL H 3.400 . 5.000 3.081 2.797 3.474 . 0 0 "[ . 1 . 2]" 1
583 1 32 GLU HB3 1 33 VAL HA 3.900 . 6.000 3.962 3.795 4.219 . 0 0 "[ . 1 . 2]" 1
584 1 32 GLU HB3 1 33 VAL MG2 3.900 . 7.500 3.569 3.385 3.784 . 0 0 "[ . 1 . 2]" 1
585 1 32 GLU HB3 1 36 ARG QD 3.400 . 6.000 3.218 2.603 3.573 . 0 0 "[ . 1 . 2]" 1
586 1 32 GLU HB3 1 39 LEU MD1 3.900 . 7.500 3.309 2.956 3.696 . 0 0 "[ . 1 . 2]" 1
587 1 32 GLU QG 1 33 VAL MG2 3.900 . 8.500 4.712 4.649 4.800 . 0 0 "[ . 1 . 2]" 1
588 1 32 GLU QG 1 36 ARG QD 3.400 . 7.000 4.670 3.587 5.269 . 0 0 "[ . 1 . 2]" 1
589 1 32 GLU QG 1 39 LEU MD1 3.400 . 7.500 4.832 4.366 5.180 . 0 0 "[ . 1 . 2]" 1
590 1 32 GLU O 1 36 ARG H 2.000 . 2.300 2.354 2.315 2.434 0.134 19 0 "[ . 1 . 2]" 1
591 1 32 GLU O 1 36 ARG N 3.000 2.500 3.300 2.840 2.690 2.976 . 0 0 "[ . 1 . 2]" 1
592 1 33 VAL H 1 33 VAL HA 2.900 . 3.300 2.813 2.741 2.863 . 0 0 "[ . 1 . 2]" 1
593 1 33 VAL H 1 33 VAL HB 2.400 . 2.700 2.706 2.626 2.759 0.059 15 0 "[ . 1 . 2]" 1
594 1 33 VAL H 1 33 VAL MG1 3.400 . 6.500 3.760 3.711 3.787 . 0 0 "[ . 1 . 2]" 1
595 1 33 VAL H 1 33 VAL MG2 2.400 . 4.200 1.877 1.729 1.992 0.071 15 0 "[ . 1 . 2]" 1
596 1 33 VAL H 1 34 SER H 2.900 . 3.500 2.717 2.523 3.033 . 0 0 "[ . 1 . 2]" 1
597 1 33 VAL H 1 34 SER QB 3.900 . 7.000 4.915 4.570 5.323 . 0 0 "[ . 1 . 2]" 1
598 1 33 VAL H 1 35 GLN H 3.900 . 6.000 4.097 3.930 4.254 . 0 0 "[ . 1 . 2]" 1
599 1 33 VAL H 1 36 ARG QG 3.900 . 7.000 4.947 3.608 5.808 . 0 0 "[ . 1 . 2]" 1
600 1 33 VAL H 1 51 TYR QE 3.900 . 8.000 5.127 4.619 5.440 . 0 0 "[ . 1 . 2]" 1
601 1 33 VAL HA 1 33 VAL HB 2.900 . 3.300 3.020 3.010 3.027 . 0 0 "[ . 1 . 2]" 1
602 1 33 VAL HA 1 33 VAL MG1 2.400 . 4.200 2.296 2.267 2.339 . 0 0 "[ . 1 . 2]" 1
603 1 33 VAL HA 1 33 VAL MG2 2.400 . 4.200 2.466 2.405 2.507 . 0 0 "[ . 1 . 2]" 1
604 1 33 VAL HA 1 34 SER H 3.400 . 5.000 3.529 3.497 3.586 . 0 0 "[ . 1 . 2]" 1
605 1 33 VAL HA 1 35 GLN H 3.900 . 6.000 3.897 3.607 4.088 . 0 0 "[ . 1 . 2]" 1
606 1 33 VAL HA 1 37 PRO HA 3.900 . 6.000 6.052 6.024 6.080 0.080 20 0 "[ . 1 . 2]" 1
607 1 33 VAL HA 1 39 LEU H 3.900 . 6.000 4.854 4.713 4.949 . 0 0 "[ . 1 . 2]" 1
608 1 33 VAL HA 1 39 LEU HB3 3.400 . 5.000 3.507 3.386 3.716 . 0 0 "[ . 1 . 2]" 1
609 1 33 VAL HA 1 39 LEU HG 3.900 . 6.000 3.988 3.748 4.242 . 0 0 "[ . 1 . 2]" 1
610 1 33 VAL HA 1 40 VAL H 3.900 . 6.000 4.504 4.218 4.715 . 0 0 "[ . 1 . 2]" 1
611 1 33 VAL HB 1 34 SER H 2.400 . 2.900 2.815 2.692 2.908 0.008 15 0 "[ . 1 . 2]" 1
612 1 33 VAL HB 1 34 SER HA 3.900 . 6.000 4.164 4.112 4.242 . 0 0 "[ . 1 . 2]" 1
613 1 33 VAL HB 1 34 SER QB 3.900 . 7.000 4.745 4.467 4.895 . 0 0 "[ . 1 . 2]" 1
614 1 33 VAL HB 1 40 VAL HA 3.900 . 6.000 5.878 5.724 6.058 0.058 13 0 "[ . 1 . 2]" 1
615 1 33 VAL HB 1 40 VAL MG2 3.400 . 6.500 3.769 3.678 3.866 . 0 0 "[ . 1 . 2]" 1
616 1 33 VAL HB 1 51 TYR QD 3.400 . 7.000 3.320 3.041 3.634 . 0 0 "[ . 1 . 2]" 1
617 1 33 VAL HB 1 51 TYR QE 2.900 . 5.300 3.235 2.601 3.573 . 0 0 "[ . 1 . 2]" 1
618 1 33 VAL MG1 1 34 SER H 3.400 . 6.500 3.752 3.565 3.850 . 0 0 "[ . 1 . 2]" 1
619 1 33 VAL MG1 1 34 SER HA 3.400 . 6.500 3.720 3.517 3.813 . 0 0 "[ . 1 . 2]" 1
620 1 33 VAL MG1 1 34 SER QB 3.900 . 8.500 4.957 4.625 5.092 . 0 0 "[ . 1 . 2]" 1
621 1 33 VAL MG1 1 35 GLN H 3.900 . 7.500 4.800 4.626 4.930 . 0 0 "[ . 1 . 2]" 1
622 1 33 VAL MG1 1 36 ARG H 3.900 . 7.500 4.130 4.034 4.173 . 0 0 "[ . 1 . 2]" 1
623 1 33 VAL MG1 1 36 ARG QD 3.400 . 7.500 4.858 4.665 5.071 . 0 0 "[ . 1 . 2]" 1
624 1 33 VAL MG1 1 37 PRO HA 3.900 . 7.500 4.982 4.801 5.267 . 0 0 "[ . 1 . 2]" 1
625 1 33 VAL MG1 1 39 LEU HB2 2.900 . 4.800 2.455 2.272 2.711 . 0 0 "[ . 1 . 2]" 1
626 1 33 VAL MG1 1 40 VAL HA 3.400 . 6.500 3.077 3.009 3.146 . 0 0 "[ . 1 . 2]" 1
627 1 33 VAL MG1 1 40 VAL HB 3.400 . 6.500 4.156 4.072 4.199 . 0 0 "[ . 1 . 2]" 1
628 1 33 VAL MG1 1 40 VAL MG1 2.900 . 6.300 3.391 3.273 3.515 . 0 0 "[ . 1 . 2]" 1
629 1 33 VAL MG1 1 40 VAL MG2 2.400 . 5.700 1.662 1.566 1.745 0.234 1 0 "[ . 1 . 2]" 1
630 1 33 VAL MG1 1 43 MET HA 3.900 . 7.500 5.626 5.528 5.784 . 0 0 "[ . 1 . 2]" 1
631 1 33 VAL MG1 1 43 MET QB 3.900 . 8.500 4.447 4.361 4.505 . 0 0 "[ . 1 . 2]" 1
632 1 33 VAL MG1 1 43 MET ME 2.400 . 5.700 1.584 1.473 1.664 0.327 6 0 "[ . 1 . 2]" 1
633 1 33 VAL MG1 1 43 MET QG 3.900 . 8.500 3.245 3.158 3.370 . 0 0 "[ . 1 . 2]" 1
634 1 33 VAL MG1 1 51 TYR HA 3.900 . 7.500 5.608 5.422 5.778 . 0 0 "[ . 1 . 2]" 1
635 1 33 VAL MG1 1 51 TYR QD 2.900 . 6.800 3.465 3.291 3.648 . 0 0 "[ . 1 . 2]" 1
636 1 33 VAL MG1 1 51 TYR QE 2.900 . 6.800 3.419 3.118 3.564 . 0 0 "[ . 1 . 2]" 1
637 1 33 VAL MG2 1 34 SER H 3.400 . 6.500 3.761 3.700 3.841 . 0 0 "[ . 1 . 2]" 1
638 1 33 VAL MG2 1 35 GLN H 3.900 . 7.500 5.111 4.950 5.207 . 0 0 "[ . 1 . 2]" 1
639 1 33 VAL MG2 1 36 ARG H 3.900 . 7.500 4.993 4.925 5.040 . 0 0 "[ . 1 . 2]" 1
640 1 33 VAL MG2 1 36 ARG QG 3.900 . 8.500 5.031 3.771 5.521 . 0 0 "[ . 1 . 2]" 1
641 1 33 VAL MG2 1 39 LEU MD1 2.400 . 5.700 2.186 1.893 2.358 . 0 0 "[ . 1 . 2]" 1
642 1 33 VAL MG2 1 39 LEU MD2 2.900 . 6.500 4.194 3.986 4.297 . 0 0 "[ . 1 . 2]" 1
643 1 33 VAL MG2 1 51 TYR QD 3.400 . 8.500 4.184 3.879 4.429 . 0 0 "[ . 1 . 2]" 1
644 1 33 VAL MG2 1 51 TYR QE 3.400 . 8.500 4.644 4.139 4.918 . 0 0 "[ . 1 . 2]" 1
645 1 34 SER H 1 35 GLN H 3.400 . 5.000 2.564 2.490 2.625 . 0 0 "[ . 1 . 2]" 1
646 1 34 SER H 1 35 GLN HA 3.900 . 6.000 5.209 5.131 5.280 . 0 0 "[ . 1 . 2]" 1
647 1 34 SER H 1 35 GLN HB2 3.900 . 6.000 4.562 4.488 4.620 . 0 0 "[ . 1 . 2]" 1
648 1 34 SER H 1 35 GLN HB3 3.900 . 6.000 6.031 5.986 6.077 0.077 12 0 "[ . 1 . 2]" 1
649 1 34 SER H 1 35 GLN QG 3.900 . 7.000 5.340 4.260 5.891 . 0 0 "[ . 1 . 2]" 1
650 1 34 SER H 1 36 ARG H 3.400 . 5.000 3.803 3.715 3.894 . 0 0 "[ . 1 . 2]" 1
651 1 34 SER H 1 36 ARG QG 3.900 . 7.000 5.487 4.863 6.130 . 0 0 "[ . 1 . 2]" 1
652 1 34 SER H 1 43 MET ME 3.900 . 7.500 5.544 5.456 5.641 . 0 0 "[ . 1 . 2]" 1
653 1 34 SER H 1 51 TYR QE 3.900 . 8.000 3.242 3.016 3.463 . 0 0 "[ . 1 . 2]" 1
654 1 34 SER HA 1 35 GLN H 3.400 . 5.000 3.441 3.341 3.484 . 0 0 "[ . 1 . 2]" 1
655 1 34 SER HA 1 35 GLN QE 3.400 . 6.000 4.533 4.103 5.332 . 0 0 "[ . 1 . 2]" 1
656 1 34 SER HA 1 35 GLN QG 3.900 . 7.000 5.609 4.875 6.173 . 0 0 "[ . 1 . 2]" 1
657 1 34 SER HA 1 36 ARG H 3.400 . 5.000 3.938 3.799 4.011 . 0 0 "[ . 1 . 2]" 1
658 1 34 SER HA 1 40 VAL HB 3.900 . 6.000 6.081 6.036 6.122 0.122 19 0 "[ . 1 . 2]" 1
659 1 34 SER HA 1 40 VAL MG2 3.900 . 7.500 3.353 3.277 3.398 . 0 0 "[ . 1 . 2]" 1
660 1 34 SER HA 1 51 TYR QD 3.900 . 8.000 4.785 4.498 5.211 . 0 0 "[ . 1 . 2]" 1
661 1 34 SER HA 1 51 TYR QE 3.400 . 7.000 2.632 2.314 3.131 . 0 0 "[ . 1 . 2]" 1
662 1 34 SER QB 1 35 GLN H 3.400 . 6.000 3.057 2.764 3.587 . 0 0 "[ . 1 . 2]" 1
663 1 34 SER QB 1 35 GLN QE 3.900 . 8.000 2.675 2.051 3.453 . 0 0 "[ . 1 . 2]" 1
664 1 34 SER QB 1 35 GLN QG 3.900 . 8.000 4.017 3.008 4.854 . 0 0 "[ . 1 . 2]" 1
665 1 34 SER QB 1 40 VAL MG2 3.900 . 8.500 4.866 4.594 4.985 . 0 0 "[ . 1 . 2]" 1
666 1 34 SER QB 1 51 TYR QD 3.900 . 9.000 5.047 4.133 5.530 . 0 0 "[ . 1 . 2]" 1
667 1 34 SER QB 1 51 TYR QE 2.900 . 6.300 3.094 2.074 3.606 . 0 0 "[ . 1 . 2]" 1
668 1 35 GLN H 1 35 GLN HA 2.900 . 3.500 2.929 2.913 2.941 . 0 0 "[ . 1 . 2]" 1
669 1 35 GLN H 1 35 GLN HB2 2.400 . 2.900 2.314 2.223 2.432 . 0 0 "[ . 1 . 2]" 1
670 1 35 GLN H 1 35 GLN HB3 2.900 . 3.500 3.538 3.485 3.635 0.135 1 0 "[ . 1 . 2]" 1
671 1 35 GLN H 1 36 ARG H 2.400 . 2.900 2.159 1.954 2.327 . 0 0 "[ . 1 . 2]" 1
672 1 35 GLN H 1 36 ARG HA 3.900 . 6.000 4.783 4.609 4.943 . 0 0 "[ . 1 . 2]" 1
673 1 35 GLN H 1 36 ARG QB 3.400 . 6.000 3.985 3.735 4.228 . 0 0 "[ . 1 . 2]" 1
674 1 35 GLN H 1 36 ARG QD 3.900 . 7.000 5.511 5.202 5.838 . 0 0 "[ . 1 . 2]" 1
675 1 35 GLN H 1 36 ARG QG 3.900 . 7.000 3.974 3.705 4.528 . 0 0 "[ . 1 . 2]" 1
676 1 35 GLN HA 1 35 GLN HB2 2.900 . 3.300 2.984 2.965 3.015 . 0 0 "[ . 1 . 2]" 1
677 1 35 GLN HA 1 35 GLN HB3 2.400 . 2.700 2.639 2.539 2.680 . 0 0 "[ . 1 . 2]" 1
678 1 35 GLN HA 1 36 ARG H 3.400 . 5.000 3.292 3.156 3.383 . 0 0 "[ . 1 . 2]" 1
679 1 35 GLN HA 1 36 ARG HA 3.900 . 6.000 4.525 4.501 4.565 . 0 0 "[ . 1 . 2]" 1
680 1 35 GLN HA 1 37 PRO QD 3.400 . 6.000 3.898 3.600 4.307 . 0 0 "[ . 1 . 2]" 1
681 1 35 GLN HB2 1 36 ARG H 3.400 . 5.000 3.545 3.269 3.748 . 0 0 "[ . 1 . 2]" 1
682 1 35 GLN HB2 1 36 ARG HA 3.900 . 6.000 5.000 4.782 5.127 . 0 0 "[ . 1 . 2]" 1
683 1 35 GLN HB2 1 36 ARG QB 3.900 . 7.000 4.826 4.417 5.087 . 0 0 "[ . 1 . 2]" 1
684 1 35 GLN HB2 1 36 ARG QG 3.900 . 7.000 3.721 3.216 4.158 . 0 0 "[ . 1 . 2]" 1
685 1 35 GLN HB3 1 36 ARG H 3.400 . 5.000 4.019 3.864 4.176 . 0 0 "[ . 1 . 2]" 1
686 1 35 GLN HB3 1 36 ARG HA 3.900 . 6.000 4.479 4.381 4.623 . 0 0 "[ . 1 . 2]" 1
687 1 35 GLN HB3 1 36 ARG QB 3.900 . 7.000 5.168 4.978 5.462 . 0 0 "[ . 1 . 2]" 1
688 1 35 GLN HB3 1 36 ARG QG 3.900 . 7.000 3.830 3.408 4.293 . 0 0 "[ . 1 . 2]" 1
689 1 35 GLN QG 1 36 ARG H 3.900 . 7.000 4.745 4.420 4.912 . 0 0 "[ . 1 . 2]" 1
690 1 36 ARG H 1 37 PRO HA 3.900 . 6.000 4.859 4.743 4.952 . 0 0 "[ . 1 . 2]" 1
691 1 36 ARG H 1 37 PRO QD 3.400 . 6.000 3.652 3.470 3.844 . 0 0 "[ . 1 . 2]" 1
692 1 36 ARG H 1 38 GLU H 3.900 . 6.000 5.615 5.542 5.807 . 0 0 "[ . 1 . 2]" 1
693 1 36 ARG H 1 39 LEU H 3.900 . 6.000 5.158 5.084 5.265 . 0 0 "[ . 1 . 2]" 1
694 1 36 ARG H 1 39 LEU HB3 3.900 . 6.000 5.816 5.658 5.957 . 0 0 "[ . 1 . 2]" 1
695 1 36 ARG H 1 39 LEU HG 3.900 . 6.000 5.214 5.014 5.575 . 0 0 "[ . 1 . 2]" 1
696 1 36 ARG HA 1 37 PRO HA 3.900 . 6.000 4.558 4.506 4.614 . 0 0 "[ . 1 . 2]" 1
697 1 36 ARG HA 1 37 PRO QB 3.900 . 7.000 4.662 4.603 4.733 . 0 0 "[ . 1 . 2]" 1
698 1 36 ARG HA 1 37 PRO QD 2.400 . 3.700 1.970 1.824 2.146 . 0 0 "[ . 1 . 2]" 1
699 1 36 ARG HA 1 38 GLU H 3.400 . 5.000 3.533 3.447 3.685 . 0 0 "[ . 1 . 2]" 1
700 1 36 ARG HA 1 38 GLU QG 3.900 . 7.000 4.594 4.461 4.697 . 0 0 "[ . 1 . 2]" 1
701 1 36 ARG HA 1 39 LEU H 3.900 . 6.000 4.295 4.080 4.348 . 0 0 "[ . 1 . 2]" 1
702 1 36 ARG HA 1 39 LEU MD1 3.900 . 7.500 5.017 4.688 5.147 . 0 0 "[ . 1 . 2]" 1
703 1 36 ARG HA 1 39 LEU MD2 3.900 . 7.500 5.814 5.611 5.911 . 0 0 "[ . 1 . 2]" 1
704 1 36 ARG HA 1 39 LEU HG 3.900 . 6.000 4.618 4.334 4.711 . 0 0 "[ . 1 . 2]" 1
705 1 36 ARG QB 1 37 PRO QD 3.900 . 8.000 3.605 3.477 3.738 . 0 0 "[ . 1 . 2]" 1
706 1 36 ARG QB 1 38 GLU H 3.400 . 6.000 3.476 3.377 3.875 . 0 0 "[ . 1 . 2]" 1
707 1 36 ARG QB 1 38 GLU QG 3.900 . 8.000 4.430 4.327 4.934 . 0 0 "[ . 1 . 2]" 1
708 1 36 ARG QB 1 39 LEU H 3.400 . 6.000 2.805 2.718 2.906 . 0 0 "[ . 1 . 2]" 1
709 1 36 ARG QB 1 39 LEU HA 3.900 . 7.000 4.449 4.281 4.515 . 0 0 "[ . 1 . 2]" 1
710 1 36 ARG QB 1 39 LEU HB3 3.900 . 7.000 3.726 3.353 3.836 . 0 0 "[ . 1 . 2]" 1
711 1 36 ARG QB 1 39 LEU MD1 2.900 . 5.800 2.420 2.285 2.531 . 0 0 "[ . 1 . 2]" 1
712 1 36 ARG QB 1 39 LEU MD2 3.900 . 8.500 3.558 3.484 3.616 . 0 0 "[ . 1 . 2]" 1
713 1 36 ARG QB 1 39 LEU HG 3.400 . 6.000 2.038 1.920 2.166 . 0 0 "[ . 1 . 2]" 1
714 1 36 ARG QB 1 40 VAL H 3.900 . 7.000 4.055 3.732 4.169 . 0 0 "[ . 1 . 2]" 1
715 1 36 ARG QD 1 39 LEU HA 3.900 . 7.000 5.248 4.962 5.433 . 0 0 "[ . 1 . 2]" 1
716 1 36 ARG QD 1 39 LEU HB2 2.900 . 4.300 3.846 3.571 3.952 . 0 0 "[ . 1 . 2]" 1
717 1 36 ARG QD 1 39 LEU HB3 3.400 . 6.000 4.551 4.311 4.643 . 0 0 "[ . 1 . 2]" 1
718 1 36 ARG QD 1 39 LEU MD1 3.900 . 8.500 2.129 2.016 2.325 . 0 0 "[ . 1 . 2]" 1
719 1 36 ARG QD 1 39 LEU MD2 3.400 . 7.500 3.303 3.060 3.499 . 0 0 "[ . 1 . 2]" 1
720 1 36 ARG QD 1 39 LEU HG 3.900 . 7.000 2.404 1.865 2.655 . 0 0 "[ . 1 . 2]" 1
721 1 36 ARG QG 1 37 PRO QD 3.900 . 8.000 3.690 3.483 4.000 . 0 0 "[ . 1 . 2]" 1
722 1 36 ARG QG 1 39 LEU HB3 3.900 . 7.000 5.700 4.914 5.869 . 0 0 "[ . 1 . 2]" 1
723 1 36 ARG QG 1 39 LEU MD1 3.900 . 8.500 3.568 2.598 3.796 . 0 0 "[ . 1 . 2]" 1
724 1 36 ARG O 1 40 VAL H 2.000 . 2.300 2.369 2.213 2.422 0.122 17 0 "[ . 1 . 2]" 1
725 1 36 ARG O 1 40 VAL N 3.000 2.500 3.300 3.313 3.159 3.359 0.059 1 0 "[ . 1 . 2]" 1
726 1 37 PRO HA 1 40 VAL H 3.400 . 5.000 3.229 3.129 3.432 . 0 0 "[ . 1 . 2]" 1
727 1 37 PRO HA 1 40 VAL HB 2.900 . 3.300 3.107 2.956 3.338 0.038 12 0 "[ . 1 . 2]" 1
728 1 37 PRO HA 1 40 VAL MG1 3.900 . 7.500 4.537 4.393 4.784 . 0 0 "[ . 1 . 2]" 1
729 1 37 PRO HA 1 40 VAL MG2 2.900 . 4.800 2.880 2.586 3.312 . 0 0 "[ . 1 . 2]" 1
730 1 37 PRO HA 1 41 ALA MB 3.900 . 7.500 4.337 4.063 4.480 . 0 0 "[ . 1 . 2]" 1
731 1 37 PRO QB 1 40 VAL H 3.900 . 7.000 4.808 4.694 5.028 . 0 0 "[ . 1 . 2]" 1
732 1 37 PRO QB 1 40 VAL MG2 3.900 . 8.500 4.427 4.186 4.853 . 0 0 "[ . 1 . 2]" 1
733 1 37 PRO QB 1 41 ALA H 3.900 . 7.000 4.546 4.463 4.737 . 0 0 "[ . 1 . 2]" 1
734 1 37 PRO QD 1 38 GLU H 3.400 . 6.000 2.630 2.237 2.929 . 0 0 "[ . 1 . 2]" 1
735 1 37 PRO QD 1 39 LEU H 3.900 . 7.000 4.339 4.099 4.463 . 0 0 "[ . 1 . 2]" 1
736 1 37 PRO O 1 39 LEU H 2.000 . 2.300 2.660 2.626 2.688 0.388 18 0 "[ . 1 . 2]" 1
737 1 37 PRO O 1 39 LEU N 3.000 2.500 3.300 2.815 2.797 2.831 . 0 0 "[ . 1 . 2]" 1
738 1 38 GLU H 1 38 GLU HA 2.900 . 3.500 2.802 2.794 2.806 . 0 0 "[ . 1 . 2]" 1
739 1 38 GLU H 1 38 GLU HB2 2.400 . 2.900 2.944 2.915 2.959 0.059 19 0 "[ . 1 . 2]" 1
740 1 38 GLU H 1 38 GLU HB3 2.900 . 3.500 3.527 3.503 3.535 0.035 11 0 "[ . 1 . 2]" 1
741 1 38 GLU H 1 39 LEU H 2.400 . 2.900 2.592 2.581 2.602 . 0 0 "[ . 1 . 2]" 1
742 1 38 GLU H 1 39 LEU HA 3.900 . 6.000 5.219 5.199 5.229 . 0 0 "[ . 1 . 2]" 1
743 1 38 GLU H 1 39 LEU HB3 3.900 . 6.000 6.086 6.074 6.098 0.098 7 0 "[ . 1 . 2]" 1
744 1 38 GLU H 1 39 LEU MD1 3.900 . 7.500 5.704 5.629 5.805 . 0 0 "[ . 1 . 2]" 1
745 1 38 GLU H 1 39 LEU HG 3.900 . 6.000 4.551 4.437 4.654 . 0 0 "[ . 1 . 2]" 1
746 1 38 GLU H 1 40 VAL H 3.900 . 6.000 4.461 4.358 4.654 . 0 0 "[ . 1 . 2]" 1
747 1 38 GLU H 1 40 VAL MG2 3.900 . 7.500 5.061 4.898 5.348 . 0 0 "[ . 1 . 2]" 1
748 1 38 GLU H 1 41 ALA H 3.900 . 6.000 4.858 4.779 4.958 . 0 0 "[ . 1 . 2]" 1
749 1 38 GLU HA 1 38 GLU HB2 2.900 . 3.300 2.970 2.967 2.975 . 0 0 "[ . 1 . 2]" 1
750 1 38 GLU HA 1 38 GLU HB3 2.400 . 2.700 2.306 2.302 2.312 . 0 0 "[ . 1 . 2]" 1
751 1 38 GLU HA 1 39 LEU H 3.900 . 6.000 3.390 3.377 3.400 . 0 0 "[ . 1 . 2]" 1
752 1 38 GLU HA 1 39 LEU MD2 3.900 . 7.500 4.771 4.598 4.913 . 0 0 "[ . 1 . 2]" 1
753 1 38 GLU HA 1 41 ALA MB 2.400 . 4.200 2.911 2.695 3.178 . 0 0 "[ . 1 . 2]" 1
754 1 38 GLU HB2 1 39 LEU H 2.400 . 2.900 3.017 2.994 3.049 0.149 12 0 "[ . 1 . 2]" 1
755 1 38 GLU HB2 1 39 LEU MD2 3.900 . 7.500 3.087 2.855 3.269 . 0 0 "[ . 1 . 2]" 1
756 1 38 GLU HB2 1 39 LEU HG 3.400 . 5.000 3.514 3.338 3.717 . 0 0 "[ . 1 . 2]" 1
757 1 38 GLU HB2 1 41 ALA MB 3.900 . 7.500 5.230 5.022 5.473 . 0 0 "[ . 1 . 2]" 1
758 1 38 GLU HB3 1 39 LEU MD2 3.900 . 7.500 4.205 3.995 4.378 . 0 0 "[ . 1 . 2]" 1
759 1 38 GLU QG 1 39 LEU H 3.400 . 6.000 4.043 3.864 4.074 . 0 0 "[ . 1 . 2]" 1
760 1 38 GLU QG 1 39 LEU HA 3.900 . 7.000 5.747 5.672 5.774 . 0 0 "[ . 1 . 2]" 1
761 1 38 GLU QG 1 39 LEU MD1 3.900 . 8.500 6.077 5.943 6.223 . 0 0 "[ . 1 . 2]" 1
762 1 38 GLU QG 1 39 LEU MD2 3.900 . 8.500 4.852 4.663 5.013 . 0 0 "[ . 1 . 2]" 1
763 1 38 GLU QG 1 39 LEU HG 3.900 . 7.000 5.139 4.995 5.295 . 0 0 "[ . 1 . 2]" 1
764 1 39 LEU H 1 39 LEU HA 2.900 . 3.500 2.897 2.884 2.910 . 0 0 "[ . 1 . 2]" 1
765 1 39 LEU H 1 39 LEU HB2 2.400 . 2.900 2.302 2.269 2.348 . 0 0 "[ . 1 . 2]" 1
766 1 39 LEU H 1 39 LEU HB3 3.400 . 5.000 3.556 3.535 3.582 . 0 0 "[ . 1 . 2]" 1
767 1 39 LEU H 1 39 LEU HG 2.400 . 2.700 2.879 2.848 2.910 0.210 17 0 "[ . 1 . 2]" 1
768 1 39 LEU H 1 40 VAL H 2.400 . 2.900 2.453 2.390 2.578 . 0 0 "[ . 1 . 2]" 1
769 1 39 LEU H 1 40 VAL HA 3.900 . 6.000 5.073 5.034 5.148 . 0 0 "[ . 1 . 2]" 1
770 1 39 LEU H 1 40 VAL MG2 3.400 . 6.500 3.731 3.651 3.920 . 0 0 "[ . 1 . 2]" 1
771 1 39 LEU H 1 41 ALA H 3.400 . 5.000 3.592 3.567 3.638 . 0 0 "[ . 1 . 2]" 1
772 1 39 LEU HA 1 39 LEU HB2 2.900 . 3.300 2.996 2.991 2.999 . 0 0 "[ . 1 . 2]" 1
773 1 39 LEU HA 1 39 LEU HB3 2.400 . 2.700 2.542 2.512 2.563 . 0 0 "[ . 1 . 2]" 1
774 1 39 LEU HA 1 39 LEU MD2 2.400 . 4.200 1.804 1.744 1.891 0.056 6 0 "[ . 1 . 2]" 1
775 1 39 LEU HA 1 40 VAL H 3.400 . 5.000 3.567 3.546 3.597 . 0 0 "[ . 1 . 2]" 1
776 1 39 LEU HA 1 40 VAL HA 3.900 . 6.000 4.726 4.712 4.741 . 0 0 "[ . 1 . 2]" 1
777 1 39 LEU HA 1 41 ALA H 3.900 . 6.000 4.179 4.124 4.270 . 0 0 "[ . 1 . 2]" 1
778 1 39 LEU HA 1 42 GLN H 3.400 . 5.000 3.309 3.223 3.428 . 0 0 "[ . 1 . 2]" 1
779 1 39 LEU HA 1 42 GLN HB2 3.400 . 5.000 2.387 2.174 2.844 . 0 0 "[ . 1 . 2]" 1
780 1 39 LEU HA 1 42 GLN HB3 3.900 . 6.000 3.494 3.197 3.592 . 0 0 "[ . 1 . 2]" 1
781 1 39 LEU HA 1 42 GLN QE 3.400 . 6.000 3.000 2.789 3.583 . 0 0 "[ . 1 . 2]" 1
782 1 39 LEU HA 1 42 GLN QG 3.400 . 6.000 4.178 3.938 4.761 . 0 0 "[ . 1 . 2]" 1
783 1 39 LEU HA 1 43 MET H 3.900 . 6.000 4.370 4.344 4.398 . 0 0 "[ . 1 . 2]" 1
784 1 39 LEU HB2 1 40 VAL H 3.400 . 5.000 2.474 2.355 2.548 . 0 0 "[ . 1 . 2]" 1
785 1 39 LEU HB2 1 40 VAL HA 3.900 . 6.000 4.436 4.355 4.490 . 0 0 "[ . 1 . 2]" 1
786 1 39 LEU HB3 1 40 VAL HA 3.900 . 6.000 4.110 4.059 4.139 . 0 0 "[ . 1 . 2]" 1
787 1 39 LEU HB3 1 40 VAL MG2 3.400 . 6.500 3.845 3.747 3.898 . 0 0 "[ . 1 . 2]" 1
788 1 39 LEU HB3 1 42 GLN QE 3.900 . 7.000 5.183 5.009 5.940 . 0 0 "[ . 1 . 2]" 1
789 1 39 LEU MD1 1 40 VAL H 3.400 . 6.500 4.523 4.432 4.599 . 0 0 "[ . 1 . 2]" 1
790 1 39 LEU MD1 1 41 ALA H 3.900 . 7.500 6.291 6.264 6.308 . 0 0 "[ . 1 . 2]" 1
791 1 39 LEU MD1 1 42 GLN H 3.900 . 7.500 6.073 6.017 6.146 . 0 0 "[ . 1 . 2]" 1
792 1 39 LEU MD1 1 42 GLN QE 3.900 . 8.500 5.010 4.768 6.163 . 0 0 "[ . 1 . 2]" 1
793 1 39 LEU MD1 1 43 MET H 3.900 . 7.500 6.347 6.313 6.366 . 0 0 "[ . 1 . 2]" 1
794 1 39 LEU MD2 1 40 VAL H 3.900 . 7.500 4.468 4.442 4.497 . 0 0 "[ . 1 . 2]" 1
795 1 39 LEU MD2 1 40 VAL HA 3.900 . 7.500 5.553 5.517 5.600 . 0 0 "[ . 1 . 2]" 1
796 1 39 LEU MD2 1 41 ALA H 3.900 . 7.500 5.276 5.210 5.332 . 0 0 "[ . 1 . 2]" 1
797 1 39 LEU MD2 1 42 GLN H 3.900 . 7.500 4.571 4.477 4.688 . 0 0 "[ . 1 . 2]" 1
798 1 39 LEU MD2 1 42 GLN HB2 3.900 . 7.500 3.334 3.126 3.672 . 0 0 "[ . 1 . 2]" 1
799 1 39 LEU MD2 1 42 GLN HB3 3.900 . 7.500 3.890 3.775 4.037 . 0 0 "[ . 1 . 2]" 1
800 1 39 LEU MD2 1 42 GLN QE 3.400 . 7.500 2.634 2.338 3.895 . 0 0 "[ . 1 . 2]" 1
801 1 39 LEU MD2 1 42 GLN QG 3.900 . 8.500 4.251 3.959 4.790 . 0 0 "[ . 1 . 2]" 1
802 1 39 LEU MD2 1 43 MET H 3.900 . 7.500 5.322 5.274 5.394 . 0 0 "[ . 1 . 2]" 1
803 1 40 VAL H 1 40 VAL HA 2.900 . 3.300 2.824 2.808 2.836 . 0 0 "[ . 1 . 2]" 1
804 1 40 VAL H 1 40 VAL HB 2.400 . 2.700 2.734 2.705 2.782 0.082 17 0 "[ . 1 . 2]" 1
805 1 40 VAL H 1 40 VAL MG1 3.400 . 6.500 3.775 3.753 3.784 . 0 0 "[ . 1 . 2]" 1
806 1 40 VAL H 1 40 VAL MG2 2.400 . 4.200 1.884 1.830 1.935 . 0 0 "[ . 1 . 2]" 1
807 1 40 VAL H 1 41 ALA H 2.400 . 2.900 2.599 2.534 2.681 . 0 0 "[ . 1 . 2]" 1
808 1 40 VAL H 1 42 GLN H 3.900 . 6.000 3.843 3.768 3.964 . 0 0 "[ . 1 . 2]" 1
809 1 40 VAL H 1 42 GLN HB3 3.900 . 6.000 6.080 5.753 6.181 0.181 13 0 "[ . 1 . 2]" 1
810 1 40 VAL H 1 43 MET ME 3.400 . 6.500 4.874 4.731 5.000 . 0 0 "[ . 1 . 2]" 1
811 1 40 VAL H 1 43 MET QG 3.900 . 7.000 4.520 4.306 4.715 . 0 0 "[ . 1 . 2]" 1
812 1 40 VAL HA 1 40 VAL HB 2.900 . 3.300 3.016 3.010 3.023 . 0 0 "[ . 1 . 2]" 1
813 1 40 VAL HA 1 40 VAL MG1 2.400 . 4.200 2.293 2.275 2.310 . 0 0 "[ . 1 . 2]" 1
814 1 40 VAL HA 1 40 VAL MG2 2.400 . 4.200 2.495 2.445 2.536 . 0 0 "[ . 1 . 2]" 1
815 1 40 VAL HA 1 41 ALA H 3.400 . 5.000 3.498 3.487 3.511 . 0 0 "[ . 1 . 2]" 1
816 1 40 VAL HA 1 41 ALA HA 3.900 . 6.000 4.737 4.725 4.755 . 0 0 "[ . 1 . 2]" 1
817 1 40 VAL HA 1 42 GLN H 3.900 . 6.000 3.703 3.632 3.829 . 0 0 "[ . 1 . 2]" 1
818 1 40 VAL HA 1 43 MET H 3.400 . 5.000 3.051 2.982 3.148 . 0 0 "[ . 1 . 2]" 1
819 1 40 VAL HA 1 43 MET HA 3.900 . 6.000 4.645 4.553 4.695 . 0 0 "[ . 1 . 2]" 1
820 1 40 VAL HA 1 43 MET QB 3.900 . 7.000 2.497 2.330 2.591 . 0 0 "[ . 1 . 2]" 1
821 1 40 VAL HA 1 43 MET ME 2.400 . 4.200 3.413 3.339 3.497 . 0 0 "[ . 1 . 2]" 1
822 1 40 VAL HA 1 43 MET QG 2.900 . 4.300 2.464 2.332 2.615 . 0 0 "[ . 1 . 2]" 1
823 1 40 VAL HA 1 47 GLU HB2 3.900 . 6.000 6.053 6.025 6.097 0.097 5 0 "[ . 1 . 2]" 1
824 1 40 VAL HA 1 48 LYS H 3.900 . 6.000 6.035 6.001 6.062 0.062 6 0 "[ . 1 . 2]" 1
825 1 40 VAL HB 1 41 ALA H 2.400 . 2.900 2.852 2.823 2.884 . 0 0 "[ . 1 . 2]" 1
826 1 40 VAL HB 1 41 ALA HA 3.900 . 6.000 4.222 4.133 4.271 . 0 0 "[ . 1 . 2]" 1
827 1 40 VAL HB 1 43 MET ME 3.400 . 6.500 5.457 5.430 5.496 . 0 0 "[ . 1 . 2]" 1
828 1 40 VAL HB 1 43 MET QG 3.900 . 7.000 5.282 5.153 5.413 . 0 0 "[ . 1 . 2]" 1
829 1 40 VAL MG1 1 41 ALA H 3.400 . 6.500 3.830 3.785 3.883 . 0 0 "[ . 1 . 2]" 1
830 1 40 VAL MG1 1 41 ALA HA 3.400 . 6.500 3.878 3.790 3.975 . 0 0 "[ . 1 . 2]" 1
831 1 40 VAL MG1 1 42 GLN H 3.900 . 7.500 4.734 4.666 4.862 . 0 0 "[ . 1 . 2]" 1
832 1 40 VAL MG1 1 43 MET H 3.900 . 7.500 4.227 4.174 4.294 . 0 0 "[ . 1 . 2]" 1
833 1 40 VAL MG1 1 43 MET ME 2.900 . 6.300 3.544 3.447 3.658 . 0 0 "[ . 1 . 2]" 1
834 1 40 VAL MG1 1 43 MET QG 2.400 . 5.200 3.731 3.702 3.755 . 0 0 "[ . 1 . 2]" 1
835 1 40 VAL MG1 1 48 LYS HA 3.900 . 7.500 3.227 3.092 3.414 . 0 0 "[ . 1 . 2]" 1
836 1 40 VAL MG1 1 51 TYR QD 2.900 . 6.800 2.746 2.537 2.918 . 0 0 "[ . 1 . 2]" 1
837 1 40 VAL MG1 1 51 TYR QE 2.900 . 6.800 2.274 2.079 2.465 . 0 0 "[ . 1 . 2]" 1
838 1 40 VAL MG2 1 41 ALA H 3.400 . 6.500 3.704 3.612 3.768 . 0 0 "[ . 1 . 2]" 1
839 1 40 VAL MG2 1 41 ALA HA 3.900 . 7.500 5.386 5.334 5.413 . 0 0 "[ . 1 . 2]" 1
840 1 40 VAL MG2 1 43 MET QB 3.400 . 7.500 4.304 4.169 4.409 . 0 0 "[ . 1 . 2]" 1
841 1 40 VAL MG2 1 43 MET ME 2.400 . 5.700 3.235 3.155 3.315 . 0 0 "[ . 1 . 2]" 1
842 1 40 VAL MG2 1 43 MET QG 3.900 . 8.500 3.997 3.853 4.124 . 0 0 "[ . 1 . 2]" 1
843 1 40 VAL MG2 1 48 LYS HA 3.900 . 7.500 4.965 4.809 5.231 . 0 0 "[ . 1 . 2]" 1
844 1 40 VAL MG2 1 51 TYR QB 3.900 . 8.500 4.371 4.248 4.649 . 0 0 "[ . 1 . 2]" 1
845 1 40 VAL MG2 1 51 TYR QD 3.400 . 8.500 3.691 3.570 3.961 . 0 0 "[ . 1 . 2]" 1
846 1 40 VAL MG2 1 51 TYR QE 2.900 . 6.800 2.810 2.647 3.028 . 0 0 "[ . 1 . 2]" 1
847 1 40 VAL O 1 43 MET H 2.000 . 2.300 2.418 2.394 2.443 0.143 20 0 "[ . 1 . 2]" 1
848 1 40 VAL O 1 43 MET N 3.000 2.500 3.300 3.128 3.105 3.154 . 0 0 "[ . 1 . 2]" 1
849 1 41 ALA H 1 42 GLN H 2.400 . 2.900 2.432 2.401 2.480 . 0 0 "[ . 1 . 2]" 1
850 1 41 ALA H 1 42 GLN HB3 3.900 . 6.000 5.546 5.251 5.665 . 0 0 "[ . 1 . 2]" 1
851 1 41 ALA H 1 42 GLN QG 3.900 . 7.000 5.407 5.105 6.095 . 0 0 "[ . 1 . 2]" 1
852 1 41 ALA H 1 43 MET QG 3.900 . 7.000 5.115 4.928 5.310 . 0 0 "[ . 1 . 2]" 1
853 1 41 ALA HA 1 48 LYS QE 3.900 . 7.000 6.281 6.257 6.312 . 0 0 "[ . 1 . 2]" 1
854 1 41 ALA MB 1 42 GLN H 3.400 . 6.500 3.019 2.929 3.062 . 0 0 "[ . 1 . 2]" 1
855 1 41 ALA MB 1 42 GLN HA 3.900 . 7.500 4.046 4.000 4.068 . 0 0 "[ . 1 . 2]" 1
856 1 41 ALA MB 1 42 GLN QE 3.900 . 8.500 4.304 3.070 4.636 . 0 0 "[ . 1 . 2]" 1
857 1 41 ALA MB 1 43 MET QB 3.900 . 8.500 5.226 5.151 5.266 . 0 0 "[ . 1 . 2]" 1
858 1 42 GLN H 1 42 GLN HA 2.900 . 3.500 2.917 2.912 2.922 . 0 0 "[ . 1 . 2]" 1
859 1 42 GLN H 1 42 GLN HB2 2.400 . 2.900 2.210 2.159 2.339 . 0 0 "[ . 1 . 2]" 1
860 1 42 GLN H 1 42 GLN HB3 2.900 . 3.500 3.229 2.944 3.351 . 0 0 "[ . 1 . 2]" 1
861 1 42 GLN H 1 43 MET HA 3.900 . 6.000 4.694 4.662 4.730 . 0 0 "[ . 1 . 2]" 1
862 1 42 GLN H 1 43 MET QG 3.900 . 7.000 4.133 3.970 4.362 . 0 0 "[ . 1 . 2]" 1
863 1 42 GLN HA 1 42 GLN HB2 2.900 . 3.300 2.867 2.724 2.928 . 0 0 "[ . 1 . 2]" 1
864 1 42 GLN HA 1 42 GLN HB3 2.400 . 2.700 2.815 2.758 2.922 0.222 12 0 "[ . 1 . 2]" 1
865 1 42 GLN HA 1 43 MET H 3.400 . 5.000 3.414 3.391 3.431 . 0 0 "[ . 1 . 2]" 1
866 1 42 GLN HA 1 43 MET HA 3.900 . 6.000 4.888 4.877 4.904 . 0 0 "[ . 1 . 2]" 1
867 1 42 GLN HB2 1 43 MET HA 3.900 . 6.000 5.046 4.899 5.363 . 0 0 "[ . 1 . 2]" 1
868 1 42 GLN HB3 1 43 MET HA 3.900 . 6.000 4.041 3.953 4.125 . 0 0 "[ . 1 . 2]" 1
869 1 43 MET H 1 44 THR H 3.900 . 6.000 4.586 4.567 4.605 . 0 0 "[ . 1 . 2]" 1
870 1 43 MET H 1 48 LYS H 3.900 . 6.000 5.801 5.760 5.897 . 0 0 "[ . 1 . 2]" 1
871 1 43 MET HA 1 47 GLU HB2 3.900 . 6.000 2.901 2.796 3.058 . 0 0 "[ . 1 . 2]" 1
872 1 43 MET HA 1 47 GLU HB3 3.900 . 6.000 3.497 3.384 3.690 . 0 0 "[ . 1 . 2]" 1
873 1 43 MET HA 1 48 LYS H 3.900 . 6.000 4.448 4.343 4.576 . 0 0 "[ . 1 . 2]" 1
874 1 43 MET QB 1 44 THR H 3.400 . 6.000 3.071 2.978 3.184 . 0 0 "[ . 1 . 2]" 1
875 1 43 MET QB 1 44 THR HA 3.900 . 7.000 4.362 4.317 4.418 . 0 0 "[ . 1 . 2]" 1
876 1 43 MET QB 1 47 GLU HB2 3.900 . 7.000 2.490 2.361 2.701 . 0 0 "[ . 1 . 2]" 1
877 1 43 MET QB 1 48 LYS H 3.400 . 6.000 2.344 2.287 2.466 . 0 0 "[ . 1 . 2]" 1
878 1 43 MET QB 1 48 LYS HA 3.900 . 7.000 2.776 2.683 2.852 . 0 0 "[ . 1 . 2]" 1
879 1 43 MET QB 1 48 LYS HB2 3.400 . 6.000 2.288 2.162 2.372 . 0 0 "[ . 1 . 2]" 1
880 1 43 MET QB 1 48 LYS QG 3.900 . 8.000 3.246 2.557 3.923 . 0 0 "[ . 1 . 2]" 1
881 1 43 MET ME 1 47 GLU HB2 3.400 . 6.500 4.185 4.098 4.350 . 0 0 "[ . 1 . 2]" 1
882 1 43 MET ME 1 47 GLU HB3 2.900 . 4.800 2.917 2.810 3.071 . 0 0 "[ . 1 . 2]" 1
883 1 43 MET ME 1 51 TYR H 3.900 . 7.500 3.684 3.531 3.833 . 0 0 "[ . 1 . 2]" 1
884 1 43 MET ME 1 51 TYR HA 2.900 . 4.800 3.879 3.845 3.901 . 0 0 "[ . 1 . 2]" 1
885 1 43 MET ME 1 51 TYR QB 2.400 . 5.200 1.804 1.754 1.902 0.046 6 0 "[ . 1 . 2]" 1
886 1 43 MET ME 1 51 TYR QD 2.900 . 6.800 2.826 2.556 2.918 . 0 0 "[ . 1 . 2]" 1
887 1 43 MET ME 1 51 TYR QE 2.900 . 6.800 4.008 3.743 4.114 . 0 0 "[ . 1 . 2]" 1
888 1 43 MET QG 1 44 THR H 3.400 . 6.000 3.575 3.407 3.691 . 0 0 "[ . 1 . 2]" 1
889 1 43 MET QG 1 47 GLU H 3.900 . 7.000 4.925 4.737 5.045 . 0 0 "[ . 1 . 2]" 1
890 1 43 MET QG 1 47 GLU HA 3.900 . 7.000 4.322 4.209 4.393 . 0 0 "[ . 1 . 2]" 1
891 1 43 MET QG 1 47 GLU HB2 3.900 . 7.000 2.698 2.559 2.810 . 0 0 "[ . 1 . 2]" 1
892 1 43 MET QG 1 47 GLU HB3 3.900 . 7.000 2.060 1.900 2.164 . 0 0 "[ . 1 . 2]" 1
893 1 43 MET QG 1 48 LYS H 3.900 . 7.000 3.797 3.666 3.925 . 0 0 "[ . 1 . 2]" 1
894 1 43 MET QG 1 48 LYS HA 3.900 . 7.000 3.642 3.551 3.777 . 0 0 "[ . 1 . 2]" 1
895 1 43 MET QG 1 48 LYS HB2 3.900 . 7.000 4.222 4.098 4.401 . 0 0 "[ . 1 . 2]" 1
896 1 43 MET QG 1 49 GLU H 3.900 . 7.000 6.038 5.909 6.144 . 0 0 "[ . 1 . 2]" 1
897 1 43 MET QG 1 50 ALA H 3.900 . 7.000 6.107 6.078 6.138 . 0 0 "[ . 1 . 2]" 1
898 1 43 MET QG 1 51 TYR H 3.900 . 7.000 5.280 5.219 5.324 . 0 0 "[ . 1 . 2]" 1
899 1 44 THR H 1 44 THR HB 2.900 . 3.500 3.591 3.544 3.606 0.106 18 0 "[ . 1 . 2]" 1
900 1 44 THR H 1 44 THR MG 2.400 . 4.400 2.218 2.028 2.604 . 0 0 "[ . 1 . 2]" 1
901 1 44 THR H 1 45 PRO HA 3.900 . 6.000 5.803 5.741 5.836 . 0 0 "[ . 1 . 2]" 1
902 1 44 THR H 1 47 GLU H 3.400 . 5.000 3.463 3.363 3.518 . 0 0 "[ . 1 . 2]" 1
903 1 44 THR H 1 47 GLU HB2 2.900 . 3.500 2.067 2.011 2.115 . 0 0 "[ . 1 . 2]" 1
904 1 44 THR H 1 47 GLU HB3 2.900 . 3.500 3.503 3.439 3.533 0.033 1 0 "[ . 1 . 2]" 1
905 1 44 THR H 1 47 GLU OE1 2.000 . 2.300 1.925 1.834 2.014 . 0 0 "[ . 1 . 2]" 1
906 1 44 THR H 1 48 LYS H 3.400 . 5.000 3.735 3.685 3.802 . 0 0 "[ . 1 . 2]" 1
907 1 44 THR H 1 48 LYS HB2 3.900 . 6.000 4.943 4.657 5.249 . 0 0 "[ . 1 . 2]" 1
908 1 44 THR HA 1 45 PRO HA 3.900 . 6.000 4.454 4.444 4.459 . 0 0 "[ . 1 . 2]" 1
909 1 44 THR HA 1 45 PRO QB 3.900 . 7.000 4.933 4.904 4.955 . 0 0 "[ . 1 . 2]" 1
910 1 44 THR HA 1 45 PRO QD 2.400 . 3.700 2.231 2.200 2.253 . 0 0 "[ . 1 . 2]" 1
911 1 44 THR HA 1 45 PRO QG 3.400 . 6.000 4.097 4.048 4.126 . 0 0 "[ . 1 . 2]" 1
912 1 44 THR HA 1 46 GLU H 3.900 . 6.000 4.514 4.332 4.620 . 0 0 "[ . 1 . 2]" 1
913 1 44 THR HA 1 47 GLU H 3.900 . 6.000 4.593 4.516 4.700 . 0 0 "[ . 1 . 2]" 1
914 1 44 THR HB 1 45 PRO HA 3.900 . 6.000 4.926 4.800 5.006 . 0 0 "[ . 1 . 2]" 1
915 1 44 THR HB 1 45 PRO QB 3.900 . 7.000 4.268 4.183 4.407 . 0 0 "[ . 1 . 2]" 1
916 1 44 THR HB 1 45 PRO QD 2.400 . 3.700 1.856 1.812 1.940 . 0 0 "[ . 1 . 2]" 1
917 1 44 THR HB 1 45 PRO QG 3.400 . 6.000 3.902 3.865 3.971 . 0 0 "[ . 1 . 2]" 1
918 1 44 THR HB 1 46 GLU H 3.400 . 5.000 3.144 2.675 3.357 . 0 0 "[ . 1 . 2]" 1
919 1 44 THR HB 1 47 GLU H 3.400 . 5.000 3.825 3.405 4.019 . 0 0 "[ . 1 . 2]" 1
920 1 44 THR HB 1 48 LYS H 3.900 . 6.000 5.316 5.039 5.468 . 0 0 "[ . 1 . 2]" 1
921 1 44 THR MG 1 45 PRO HA 3.900 . 7.500 5.768 5.648 5.813 . 0 0 "[ . 1 . 2]" 1
922 1 44 THR MG 1 45 PRO QD 2.400 . 5.200 3.144 2.858 3.276 . 0 0 "[ . 1 . 2]" 1
923 1 44 THR MG 1 45 PRO QG 3.400 . 7.500 4.811 4.526 4.941 . 0 0 "[ . 1 . 2]" 1
924 1 44 THR MG 1 46 GLU H 3.900 . 7.500 4.491 4.290 4.584 . 0 0 "[ . 1 . 2]" 1
925 1 44 THR MG 1 47 GLU H 3.900 . 7.500 4.130 4.029 4.220 . 0 0 "[ . 1 . 2]" 1
926 1 44 THR MG 1 47 GLU QG 3.900 . 8.500 3.365 3.061 3.845 . 0 0 "[ . 1 . 2]" 1
927 1 44 THR N 1 47 GLU OE1 3.000 2.500 3.300 2.877 2.804 2.963 . 0 0 "[ . 1 . 2]" 1
928 1 44 THR O 1 48 LYS H 2.000 . 2.300 1.764 1.733 1.823 . 0 0 "[ . 1 . 2]" 1
929 1 44 THR O 1 48 LYS N 3.000 2.500 3.300 2.745 2.715 2.804 . 0 0 "[ . 1 . 2]" 1
930 1 44 THR OG1 1 47 GLU H 2.000 . 2.300 2.335 2.307 2.381 0.081 1 0 "[ . 1 . 2]" 1
931 1 44 THR OG1 1 47 GLU N 3.000 2.500 3.300 3.285 3.250 3.300 0.000 16 0 "[ . 1 . 2]" 1
932 1 45 PRO HA 1 46 GLU H 3.400 . 5.000 3.550 3.519 3.564 . 0 0 "[ . 1 . 2]" 1
933 1 45 PRO HA 1 47 GLU H 3.900 . 6.000 4.717 4.633 4.899 . 0 0 "[ . 1 . 2]" 1
934 1 45 PRO HA 1 48 LYS H 3.400 . 5.000 3.974 3.888 4.058 . 0 0 "[ . 1 . 2]" 1
935 1 45 PRO HA 1 48 LYS HB2 3.400 . 5.000 4.205 3.763 4.745 . 0 0 "[ . 1 . 2]" 1
936 1 45 PRO HA 1 48 LYS HB3 3.400 . 5.000 3.311 2.966 3.575 . 0 0 "[ . 1 . 2]" 1
937 1 45 PRO HA 1 48 LYS QD 3.900 . 7.000 4.073 3.548 4.581 . 0 0 "[ . 1 . 2]" 1
938 1 45 PRO HA 1 48 LYS QE 3.900 . 7.000 5.409 5.134 5.729 . 0 0 "[ . 1 . 2]" 1
939 1 45 PRO HA 1 48 LYS QG 3.900 . 7.000 5.011 4.536 5.421 . 0 0 "[ . 1 . 2]" 1
940 1 45 PRO HA 1 49 GLU H 3.400 . 5.000 3.846 3.763 3.951 . 0 0 "[ . 1 . 2]" 1
941 1 45 PRO QD 1 46 GLU H 2.900 . 4.500 2.798 2.625 2.874 . 0 0 "[ . 1 . 2]" 1
942 1 45 PRO O 1 49 GLU H 2.000 . 2.300 2.121 2.000 2.276 . 0 0 "[ . 1 . 2]" 1
943 1 45 PRO O 1 49 GLU N 3.000 2.500 3.300 3.059 2.939 3.208 . 0 0 "[ . 1 . 2]" 1
944 1 46 GLU H 1 46 GLU HA 2.900 . 3.500 2.824 2.807 2.846 . 0 0 "[ . 1 . 2]" 1
945 1 46 GLU H 1 46 GLU HB2 2.400 . 2.900 2.744 2.441 2.861 . 0 0 "[ . 1 . 2]" 1
946 1 46 GLU H 1 46 GLU HB3 2.900 . 3.500 3.562 3.554 3.579 0.079 10 0 "[ . 1 . 2]" 1
947 1 46 GLU H 1 47 GLU H 2.400 . 2.900 2.689 2.558 2.754 . 0 0 "[ . 1 . 2]" 1
948 1 46 GLU H 1 49 GLU H 3.900 . 6.000 4.847 4.801 4.899 . 0 0 "[ . 1 . 2]" 1
949 1 46 GLU O 1 50 ALA H 2.000 . 2.300 2.231 2.020 2.308 0.008 10 0 "[ . 1 . 2]" 1
950 1 46 GLU O 1 50 ALA N 3.000 2.500 3.300 3.019 2.889 3.111 . 0 0 "[ . 1 . 2]" 1
951 1 47 GLU H 1 47 GLU HA 2.900 . 3.500 2.817 2.787 2.830 . 0 0 "[ . 1 . 2]" 1
952 1 47 GLU H 1 47 GLU HB2 2.400 . 2.900 2.442 2.380 2.482 . 0 0 "[ . 1 . 2]" 1
953 1 47 GLU H 1 47 GLU HB3 2.900 . 3.500 3.574 3.570 3.580 0.080 5 0 "[ . 1 . 2]" 1
954 1 47 GLU H 1 48 LYS H 2.400 . 2.900 2.769 2.711 2.844 . 0 0 "[ . 1 . 2]" 1
955 1 47 GLU H 1 48 LYS HB2 3.900 . 6.000 5.162 4.799 5.532 . 0 0 "[ . 1 . 2]" 1
956 1 47 GLU H 1 50 ALA MB 3.900 . 7.500 4.634 4.546 4.690 . 0 0 "[ . 1 . 2]" 1
957 1 47 GLU HA 1 48 LYS H 3.400 . 5.000 3.571 3.564 3.578 . 0 0 "[ . 1 . 2]" 1
958 1 47 GLU HA 1 50 ALA H 3.400 . 5.000 3.536 3.472 3.607 . 0 0 "[ . 1 . 2]" 1
959 1 47 GLU HA 1 50 ALA MB 2.400 . 4.200 2.666 2.577 2.781 . 0 0 "[ . 1 . 2]" 1
960 1 47 GLU HA 1 51 TYR H 3.900 . 6.000 4.042 3.863 4.196 . 0 0 "[ . 1 . 2]" 1
961 1 47 GLU HB2 1 48 LYS H 3.400 . 5.000 2.422 2.349 2.528 . 0 0 "[ . 1 . 2]" 1
962 1 47 GLU HB2 1 48 LYS HA 3.900 . 6.000 4.271 4.229 4.377 . 0 0 "[ . 1 . 2]" 1
963 1 47 GLU HB2 1 51 TYR QD 3.900 . 8.000 6.691 6.551 6.796 . 0 0 "[ . 1 . 2]" 1
964 1 47 GLU O 1 51 TYR H 2.000 . 2.300 1.895 1.774 2.018 . 0 0 "[ . 1 . 2]" 1
965 1 47 GLU O 1 51 TYR N 3.000 2.500 3.300 2.861 2.758 2.970 . 0 0 "[ . 1 . 2]" 1
966 1 48 LYS H 1 48 LYS HA 2.900 . 3.500 2.795 2.786 2.801 . 0 0 "[ . 1 . 2]" 1
967 1 48 LYS H 1 48 LYS HB2 2.400 . 2.900 2.512 2.210 2.842 . 0 0 "[ . 1 . 2]" 1
968 1 48 LYS H 1 48 LYS HB3 2.400 . 2.900 2.642 2.317 2.937 0.037 7 0 "[ . 1 . 2]" 1
969 1 48 LYS H 1 49 GLU H 2.900 . 3.500 2.814 2.776 2.860 . 0 0 "[ . 1 . 2]" 1
970 1 48 LYS H 1 50 ALA H 3.900 . 6.000 3.998 3.927 4.056 . 0 0 "[ . 1 . 2]" 1
971 1 48 LYS H 1 51 TYR H 3.900 . 6.000 4.756 4.697 4.834 . 0 0 "[ . 1 . 2]" 1
972 1 48 LYS H 1 51 TYR QB 3.900 . 7.000 4.755 4.585 4.878 . 0 0 "[ . 1 . 2]" 1
973 1 48 LYS H 1 51 TYR QD 3.900 . 8.000 5.587 5.414 5.712 . 0 0 "[ . 1 . 2]" 1
974 1 48 LYS H 1 52 ILE MD 3.900 . 7.500 5.974 5.771 6.120 . 0 0 "[ . 1 . 2]" 1
975 1 48 LYS HA 1 48 LYS HB2 2.400 . 2.700 2.487 2.321 2.644 . 0 0 "[ . 1 . 2]" 1
976 1 48 LYS HA 1 48 LYS HB3 2.900 . 3.300 2.990 2.975 3.009 . 0 0 "[ . 1 . 2]" 1
977 1 48 LYS HA 1 49 GLU H 3.400 . 5.000 3.563 3.556 3.570 . 0 0 "[ . 1 . 2]" 1
978 1 48 LYS HA 1 49 GLU HA 3.900 . 6.000 4.751 4.743 4.762 . 0 0 "[ . 1 . 2]" 1
979 1 48 LYS HA 1 50 ALA H 3.400 . 5.000 4.137 4.016 4.255 . 0 0 "[ . 1 . 2]" 1
980 1 48 LYS HA 1 51 TYR QB 2.400 . 3.700 2.697 2.504 2.849 . 0 0 "[ . 1 . 2]" 1
981 1 48 LYS HA 1 51 TYR QD 2.900 . 5.300 2.886 2.686 3.021 . 0 0 "[ . 1 . 2]" 1
982 1 48 LYS HA 1 51 TYR QE 3.400 . 7.000 4.875 4.750 5.015 . 0 0 "[ . 1 . 2]" 1
983 1 48 LYS HA 1 52 ILE MD 3.900 . 7.500 4.386 4.139 4.547 . 0 0 "[ . 1 . 2]" 1
984 1 48 LYS HA 1 52 ILE QG 3.900 . 7.000 3.616 3.359 3.845 . 0 0 "[ . 1 . 2]" 1
985 1 48 LYS HA 1 52 ILE MG 3.900 . 7.500 5.640 5.496 5.787 . 0 0 "[ . 1 . 2]" 1
986 1 48 LYS HB2 1 49 GLU H 3.400 . 5.000 3.697 3.453 3.950 . 0 0 "[ . 1 . 2]" 1
987 1 48 LYS HB2 1 49 GLU HA 3.900 . 6.000 5.458 5.392 5.527 . 0 0 "[ . 1 . 2]" 1
988 1 48 LYS HB2 1 51 TYR H 3.900 . 6.000 5.742 5.650 5.844 . 0 0 "[ . 1 . 2]" 1
989 1 48 LYS HB2 1 51 TYR QB 3.900 . 7.000 5.027 4.656 5.298 . 0 0 "[ . 1 . 2]" 1
990 1 48 LYS HB2 1 52 ILE MG 3.900 . 7.500 6.351 6.299 6.410 . 0 0 "[ . 1 . 2]" 1
991 1 48 LYS HB3 1 49 GLU HA 3.900 . 6.000 4.184 3.857 4.538 . 0 0 "[ . 1 . 2]" 1
992 1 48 LYS HB3 1 51 TYR QB 3.900 . 7.000 5.381 5.118 5.578 . 0 0 "[ . 1 . 2]" 1
993 1 48 LYS QD 1 51 TYR QB 3.900 . 8.000 5.956 5.742 6.132 . 0 0 "[ . 1 . 2]" 1
994 1 48 LYS QD 1 52 ILE MD 2.900 . 5.800 3.077 2.931 3.197 . 0 0 "[ . 1 . 2]" 1
995 1 48 LYS QD 1 52 ILE MG 3.400 . 7.500 5.142 5.042 5.250 . 0 0 "[ . 1 . 2]" 1
996 1 48 LYS QE 1 49 GLU H 3.900 . 7.000 4.775 4.376 5.109 . 0 0 "[ . 1 . 2]" 1
997 1 48 LYS QE 1 51 TYR QD 3.400 . 8.000 4.838 4.615 5.018 . 0 0 "[ . 1 . 2]" 1
998 1 48 LYS QE 1 51 TYR QE 3.400 . 8.000 5.198 5.103 5.296 . 0 0 "[ . 1 . 2]" 1
999 1 48 LYS QE 1 52 ILE H 3.900 . 7.000 5.228 4.965 5.478 . 0 0 "[ . 1 . 2]" 1
1000 1 48 LYS QE 1 52 ILE MD 2.900 . 5.800 1.471 1.422 1.504 0.378 17 0 "[ . 1 . 2]" 1
1001 1 48 LYS QE 1 52 ILE QG 3.900 . 8.000 3.268 3.117 3.398 . 0 0 "[ . 1 . 2]" 1
1002 1 48 LYS QE 1 52 ILE MG 2.400 . 5.200 3.492 3.442 3.536 . 0 0 "[ . 1 . 2]" 1
1003 1 48 LYS QG 1 49 GLU HA 3.900 . 7.000 3.672 2.931 4.407 . 0 0 "[ . 1 . 2]" 1
1004 1 48 LYS QG 1 51 TYR QB 3.900 . 8.000 4.159 3.857 4.404 . 0 0 "[ . 1 . 2]" 1
1005 1 48 LYS QG 1 51 TYR QD 3.400 . 8.000 3.039 2.879 3.169 . 0 0 "[ . 1 . 2]" 1
1006 1 48 LYS QG 1 52 ILE MD 3.400 . 7.500 2.250 2.138 2.393 . 0 0 "[ . 1 . 2]" 1
1007 1 48 LYS QG 1 52 ILE MG 3.400 . 7.500 3.985 3.685 4.270 . 0 0 "[ . 1 . 2]" 1
1008 1 48 LYS O 1 52 ILE H 2.000 . 2.300 1.687 1.650 1.741 . 0 0 "[ . 1 . 2]" 1
1009 1 48 LYS O 1 52 ILE N 3.000 2.500 3.300 2.648 2.623 2.689 . 0 0 "[ . 1 . 2]" 1
1010 1 49 GLU H 1 50 ALA H 2.400 . 2.900 2.692 2.644 2.729 . 0 0 "[ . 1 . 2]" 1
1011 1 49 GLU H 1 50 ALA MB 3.400 . 6.500 4.406 4.364 4.437 . 0 0 "[ . 1 . 2]" 1
1012 1 49 GLU H 1 51 TYR H 3.900 . 6.000 4.376 4.301 4.493 . 0 0 "[ . 1 . 2]" 1
1013 1 49 GLU H 1 51 TYR QB 3.900 . 7.000 5.101 4.927 5.228 . 0 0 "[ . 1 . 2]" 1
1014 1 49 GLU H 1 51 TYR QD 3.900 . 8.000 5.584 5.496 5.686 . 0 0 "[ . 1 . 2]" 1
1015 1 49 GLU H 1 52 ILE H 3.900 . 6.000 4.659 4.634 4.742 . 0 0 "[ . 1 . 2]" 1
1016 1 49 GLU H 1 52 ILE MD 3.900 . 7.500 4.902 4.778 5.015 . 0 0 "[ . 1 . 2]" 1
1017 1 49 GLU HA 1 52 ILE H 3.400 . 5.000 3.597 3.470 3.796 . 0 0 "[ . 1 . 2]" 1
1018 1 49 GLU HA 1 52 ILE HB 2.900 . 3.300 2.503 2.375 2.657 . 0 0 "[ . 1 . 2]" 1
1019 1 49 GLU HA 1 52 ILE MD 2.900 . 4.800 3.776 3.686 3.811 . 0 0 "[ . 1 . 2]" 1
1020 1 49 GLU HA 1 52 ILE QG 3.900 . 7.000 4.183 3.857 4.484 . 0 0 "[ . 1 . 2]" 1
1021 1 49 GLU HA 1 52 ILE MG 3.400 . 6.500 3.318 3.071 3.649 . 0 0 "[ . 1 . 2]" 1
1022 1 49 GLU HA 1 53 ALA H 3.400 . 5.000 3.674 3.567 3.830 . 0 0 "[ . 1 . 2]" 1
1023 1 49 GLU HA 1 53 ALA MB 3.900 . 7.500 4.102 4.004 4.243 . 0 0 "[ . 1 . 2]" 1
1024 1 49 GLU QB 1 50 ALA H 2.400 . 3.900 2.924 2.851 2.985 . 0 0 "[ . 1 . 2]" 1
1025 1 49 GLU QB 1 50 ALA HA 3.900 . 7.000 3.934 3.898 3.967 . 0 0 "[ . 1 . 2]" 1
1026 1 49 GLU QB 1 50 ALA MB 3.900 . 8.500 3.990 3.968 4.015 . 0 0 "[ . 1 . 2]" 1
1027 1 49 GLU QB 1 52 ILE MG 3.900 . 8.500 4.797 4.546 5.124 . 0 0 "[ . 1 . 2]" 1
1028 1 49 GLU QG 1 50 ALA H 3.900 . 7.000 4.723 4.672 4.761 . 0 0 "[ . 1 . 2]" 1
1029 1 49 GLU QG 1 52 ILE H 3.900 . 7.000 5.913 5.843 6.044 . 0 0 "[ . 1 . 2]" 1
1030 1 49 GLU QG 1 52 ILE MD 3.900 . 8.500 4.918 4.731 5.013 . 0 0 "[ . 1 . 2]" 1
1031 1 49 GLU QG 1 53 ALA H 3.900 . 7.000 5.468 5.354 5.696 . 0 0 "[ . 1 . 2]" 1
1032 1 49 GLU QG 1 53 ALA MB 3.900 . 8.500 4.654 4.454 4.885 . 0 0 "[ . 1 . 2]" 1
1033 1 50 ALA H 1 51 TYR H 2.400 . 2.900 2.540 2.502 2.642 . 0 0 "[ . 1 . 2]" 1
1034 1 50 ALA H 1 51 TYR QB 3.400 . 6.000 4.152 4.061 4.262 . 0 0 "[ . 1 . 2]" 1
1035 1 50 ALA H 1 52 ILE H 3.900 . 6.000 3.919 3.804 3.997 . 0 0 "[ . 1 . 2]" 1
1036 1 50 ALA H 1 52 ILE MD 3.900 . 7.500 6.028 5.859 6.142 . 0 0 "[ . 1 . 2]" 1
1037 1 50 ALA H 1 52 ILE QG 3.900 . 7.000 5.622 5.375 5.896 . 0 0 "[ . 1 . 2]" 1
1038 1 50 ALA HA 1 51 TYR H 3.400 . 5.000 3.535 3.525 3.553 . 0 0 "[ . 1 . 2]" 1
1039 1 50 ALA HA 1 53 ALA MB 2.900 . 4.800 2.789 2.626 2.915 . 0 0 "[ . 1 . 2]" 1
1040 1 50 ALA HA 1 54 MET HB2 3.900 . 6.000 5.478 5.261 5.761 . 0 0 "[ . 1 . 2]" 1
1041 1 50 ALA MB 1 51 TYR H 2.400 . 4.400 2.387 2.284 2.471 . 0 0 "[ . 1 . 2]" 1
1042 1 50 ALA MB 1 51 TYR HA 3.900 . 7.500 3.822 3.792 3.849 . 0 0 "[ . 1 . 2]" 1
1043 1 50 ALA MB 1 51 TYR QB 3.400 . 7.500 3.675 3.629 3.714 . 0 0 "[ . 1 . 2]" 1
1044 1 51 TYR H 1 52 ILE H 2.900 . 3.500 2.605 2.544 2.693 . 0 0 "[ . 1 . 2]" 1
1045 1 51 TYR H 1 52 ILE HB 3.900 . 6.000 4.462 4.358 4.607 . 0 0 "[ . 1 . 2]" 1
1046 1 51 TYR H 1 52 ILE MD 3.900 . 7.500 5.793 5.737 5.901 . 0 0 "[ . 1 . 2]" 1
1047 1 51 TYR H 1 53 ALA H 3.900 . 6.000 3.983 3.906 4.035 . 0 0 "[ . 1 . 2]" 1
1048 1 51 TYR H 1 54 MET H 3.900 . 6.000 4.703 4.579 4.882 . 0 0 "[ . 1 . 2]" 1
1049 1 51 TYR H 1 54 MET HB2 3.900 . 6.000 5.077 4.846 5.460 . 0 0 "[ . 1 . 2]" 1
1050 1 51 TYR H 1 54 MET ME 3.900 . 7.500 4.200 3.773 5.603 . 0 0 "[ . 1 . 2]" 1
1051 1 51 TYR H 1 54 MET QG 3.900 . 7.000 5.153 4.943 5.372 . 0 0 "[ . 1 . 2]" 1
1052 1 51 TYR HA 1 52 ILE H 3.400 . 5.000 3.518 3.507 3.531 . 0 0 "[ . 1 . 2]" 1
1053 1 51 TYR HA 1 53 ALA H 3.900 . 6.000 4.367 4.265 4.455 . 0 0 "[ . 1 . 2]" 1
1054 1 51 TYR HA 1 54 MET H 3.400 . 5.000 3.529 3.410 3.676 . 0 0 "[ . 1 . 2]" 1
1055 1 51 TYR HA 1 54 MET HB2 3.400 . 5.000 2.694 2.440 3.050 . 0 0 "[ . 1 . 2]" 1
1056 1 51 TYR HA 1 54 MET HB3 3.400 . 5.000 4.273 3.975 4.712 . 0 0 "[ . 1 . 2]" 1
1057 1 51 TYR HA 1 54 MET QG 3.900 . 7.000 3.713 3.404 3.941 . 0 0 "[ . 1 . 2]" 1
1058 1 51 TYR HA 1 55 GLY H 3.900 . 6.000 4.072 3.816 4.209 . 0 0 "[ . 1 . 2]" 1
1059 1 51 TYR QB 1 52 ILE H 2.900 . 4.500 2.699 2.576 2.800 . 0 0 "[ . 1 . 2]" 1
1060 1 51 TYR QB 1 52 ILE HB 3.900 . 7.000 4.535 4.281 4.749 . 0 0 "[ . 1 . 2]" 1
1061 1 51 TYR QB 1 52 ILE MD 3.900 . 8.500 5.096 4.979 5.188 . 0 0 "[ . 1 . 2]" 1
1062 1 51 TYR QB 1 52 ILE QG 3.900 . 8.000 3.806 3.579 3.947 . 0 0 "[ . 1 . 2]" 1
1063 1 51 TYR QB 1 52 ILE MG 3.900 . 8.500 5.450 5.321 5.545 . 0 0 "[ . 1 . 2]" 1
1064 1 51 TYR QB 1 53 ALA H 3.900 . 7.000 4.768 4.677 4.844 . 0 0 "[ . 1 . 2]" 1
1065 1 51 TYR QB 1 54 MET H 3.900 . 7.000 5.028 4.912 5.162 . 0 0 "[ . 1 . 2]" 1
1066 1 51 TYR QB 1 54 MET HB2 3.900 . 7.000 4.538 4.300 4.830 . 0 0 "[ . 1 . 2]" 1
1067 1 51 TYR QD 1 52 ILE H 3.400 . 7.000 2.606 2.521 2.743 . 0 0 "[ . 1 . 2]" 1
1068 1 51 TYR QD 1 52 ILE HA 3.400 . 7.000 3.428 3.233 3.630 . 0 0 "[ . 1 . 2]" 1
1069 1 51 TYR QD 1 52 ILE HB 3.400 . 7.000 3.669 3.448 3.990 . 0 0 "[ . 1 . 2]" 1
1070 1 51 TYR QD 1 52 ILE MD 3.400 . 8.500 3.621 3.514 3.732 . 0 0 "[ . 1 . 2]" 1
1071 1 51 TYR QD 1 52 ILE QG 3.400 . 8.000 2.013 1.961 2.152 . 0 0 "[ . 1 . 2]" 1
1072 1 51 TYR QD 1 53 ALA H 3.900 . 8.000 5.014 4.906 5.103 . 0 0 "[ . 1 . 2]" 1
1073 1 51 TYR QD 1 54 MET HB2 3.400 . 7.000 4.551 4.127 4.763 . 0 0 "[ . 1 . 2]" 1
1074 1 51 TYR QD 1 54 MET HB3 3.400 . 7.000 5.528 5.197 5.801 . 0 0 "[ . 1 . 2]" 1
1075 1 51 TYR QD 1 54 MET QG 3.900 . 9.000 5.859 5.564 6.028 . 0 0 "[ . 1 . 2]" 1
1076 1 51 TYR QD 1 58 MET ME 3.400 . 8.500 5.587 4.800 5.805 . 0 0 "[ . 1 . 2]" 1
1077 1 51 TYR QE 1 52 ILE H 3.900 . 8.000 4.539 4.377 4.633 . 0 0 "[ . 1 . 2]" 1
1078 1 51 TYR QE 1 52 ILE HA 3.400 . 7.000 3.842 3.700 3.978 . 0 0 "[ . 1 . 2]" 1
1079 1 51 TYR QE 1 52 ILE MD 3.400 . 8.500 3.408 3.209 3.665 . 0 0 "[ . 1 . 2]" 1
1080 1 51 TYR QE 1 52 ILE QG 3.400 . 8.000 2.496 2.375 2.637 . 0 0 "[ . 1 . 2]" 1
1081 1 51 TYR QE 1 54 MET H 3.900 . 8.000 6.758 6.465 6.926 . 0 0 "[ . 1 . 2]" 1
1082 1 51 TYR QE 1 55 GLY H 3.900 . 8.000 5.426 5.208 5.555 . 0 0 "[ . 1 . 2]" 1
1083 1 51 TYR QE 1 55 GLY QA 3.900 . 9.000 4.690 4.106 5.121 . 0 0 "[ . 1 . 2]" 1
1084 1 51 TYR QE 1 58 MET ME 3.900 . 9.500 6.087 5.252 6.491 . 0 0 "[ . 1 . 2]" 1
1085 1 52 ILE H 1 52 ILE HB 2.400 . 2.900 2.178 2.084 2.302 . 0 0 "[ . 1 . 2]" 1
1086 1 52 ILE H 1 52 ILE QG 2.400 . 3.900 2.648 2.429 2.805 . 0 0 "[ . 1 . 2]" 1
1087 1 52 ILE H 1 53 ALA H 2.900 . 3.500 2.640 2.592 2.671 . 0 0 "[ . 1 . 2]" 1
1088 1 52 ILE H 1 53 ALA HA 3.900 . 6.000 5.254 5.211 5.287 . 0 0 "[ . 1 . 2]" 1
1089 1 52 ILE H 1 53 ALA MB 3.400 . 6.500 4.372 4.331 4.421 . 0 0 "[ . 1 . 2]" 1
1090 1 52 ILE H 1 54 MET H 3.900 . 6.000 4.098 3.900 4.315 . 0 0 "[ . 1 . 2]" 1
1091 1 52 ILE H 1 55 GLY H 3.900 . 6.000 4.646 4.457 4.870 . 0 0 "[ . 1 . 2]" 1
1092 1 52 ILE HA 1 52 ILE HB 2.900 . 3.300 2.975 2.949 3.005 . 0 0 "[ . 1 . 2]" 1
1093 1 52 ILE HA 1 52 ILE MD 2.900 . 4.800 3.622 3.561 3.679 . 0 0 "[ . 1 . 2]" 1
1094 1 52 ILE HA 1 52 ILE QG 2.400 . 3.700 2.122 2.093 2.147 . 0 0 "[ . 1 . 2]" 1
1095 1 52 ILE HA 1 52 ILE MG 2.400 . 4.200 2.695 2.577 2.777 . 0 0 "[ . 1 . 2]" 1
1096 1 52 ILE HA 1 53 ALA H 3.400 . 5.000 3.531 3.514 3.544 . 0 0 "[ . 1 . 2]" 1
1097 1 52 ILE HA 1 53 ALA HA 3.900 . 6.000 4.756 4.708 4.790 . 0 0 "[ . 1 . 2]" 1
1098 1 52 ILE HA 1 54 MET H 3.900 . 6.000 4.340 3.949 4.628 . 0 0 "[ . 1 . 2]" 1
1099 1 52 ILE HA 1 55 GLY H 3.900 . 6.000 3.377 3.058 3.628 . 0 0 "[ . 1 . 2]" 1
1100 1 52 ILE HA 1 55 GLY QA 3.900 . 7.000 3.594 3.198 4.040 . 0 0 "[ . 1 . 2]" 1
1101 1 52 ILE HA 1 56 GLN H 3.900 . 6.000 4.050 3.697 4.572 . 0 0 "[ . 1 . 2]" 1
1102 1 52 ILE HA 1 56 GLN QG 3.900 . 7.000 4.483 3.823 5.891 . 0 0 "[ . 1 . 2]" 1
1103 1 52 ILE HB 1 53 ALA H 2.400 . 2.900 2.949 2.895 2.997 0.097 1 0 "[ . 1 . 2]" 1
1104 1 52 ILE HB 1 53 ALA MB 3.900 . 7.500 4.375 4.248 4.475 . 0 0 "[ . 1 . 2]" 1
1105 1 52 ILE QG 1 53 ALA H 3.400 . 6.000 4.341 4.258 4.405 . 0 0 "[ . 1 . 2]" 1
1106 1 52 ILE MG 1 53 ALA H 3.400 . 6.500 3.089 2.867 3.375 . 0 0 "[ . 1 . 2]" 1
1107 1 52 ILE MG 1 53 ALA HA 2.900 . 4.800 3.205 3.081 3.355 . 0 0 "[ . 1 . 2]" 1
1108 1 52 ILE MG 1 53 ALA MB 2.900 . 6.300 3.683 3.472 4.000 . 0 0 "[ . 1 . 2]" 1
1109 1 52 ILE MG 1 54 MET H 3.900 . 7.500 4.827 4.669 5.028 . 0 0 "[ . 1 . 2]" 1
1110 1 52 ILE MG 1 55 GLY H 3.900 . 7.500 4.810 4.515 5.017 . 0 0 "[ . 1 . 2]" 1
1111 1 52 ILE MG 1 55 GLY QA 3.900 . 8.500 4.847 4.393 5.171 . 0 0 "[ . 1 . 2]" 1
1112 1 52 ILE MG 1 56 GLN H 3.900 . 7.500 4.154 3.901 4.578 . 0 0 "[ . 1 . 2]" 1
1113 1 52 ILE MG 1 56 GLN HA 3.900 . 7.500 5.420 4.972 6.092 . 0 0 "[ . 1 . 2]" 1
1114 1 52 ILE MG 1 56 GLN QB 3.900 . 8.500 3.973 3.690 4.611 . 0 0 "[ . 1 . 2]" 1
1115 1 52 ILE MG 1 56 GLN QE 3.400 . 7.500 4.744 2.414 5.554 . 0 0 "[ . 1 . 2]" 1
1116 1 52 ILE MG 1 56 GLN QG 3.400 . 7.500 3.016 2.487 3.976 . 0 0 "[ . 1 . 2]" 1
1117 1 53 ALA H 1 54 MET QG 3.900 . 7.000 4.620 4.420 4.861 . 0 0 "[ . 1 . 2]" 1
1118 1 53 ALA HA 1 56 GLN QB 2.900 . 4.300 2.847 2.545 3.425 . 0 0 "[ . 1 . 2]" 1
1119 1 53 ALA HA 1 56 GLN QG 3.900 . 7.000 3.740 3.299 4.817 . 0 0 "[ . 1 . 2]" 1
1120 1 53 ALA MB 1 54 MET H 2.900 . 5.000 2.569 2.422 2.898 . 0 0 "[ . 1 . 2]" 1
1121 1 53 ALA MB 1 54 MET HA 3.900 . 7.500 3.850 3.806 3.935 . 0 0 "[ . 1 . 2]" 1
1122 1 53 ALA MB 1 55 GLY H 3.900 . 7.500 4.574 4.374 4.844 . 0 0 "[ . 1 . 2]" 1
1123 1 53 ALA MB 1 56 GLN H 3.900 . 7.500 4.702 4.604 4.971 . 0 0 "[ . 1 . 2]" 1
1124 1 54 MET H 1 54 MET HA 2.900 . 3.500 2.828 2.799 2.877 . 0 0 "[ . 1 . 2]" 1
1125 1 54 MET H 1 54 MET HB2 2.400 . 2.900 2.288 2.215 2.373 . 0 0 "[ . 1 . 2]" 1
1126 1 54 MET H 1 54 MET HB3 2.900 . 3.500 3.543 3.513 3.568 0.068 8 0 "[ . 1 . 2]" 1
1127 1 54 MET H 1 55 GLY QA 3.900 . 7.000 4.463 4.263 4.562 . 0 0 "[ . 1 . 2]" 1
1128 1 54 MET HA 1 54 MET HB2 2.900 . 3.300 3.004 2.976 3.023 . 0 0 "[ . 1 . 2]" 1
1129 1 54 MET HA 1 54 MET HB3 2.400 . 2.700 2.599 2.529 2.672 . 0 0 "[ . 1 . 2]" 1
1130 1 54 MET HA 1 55 GLY H 3.400 . 5.000 3.535 3.498 3.557 . 0 0 "[ . 1 . 2]" 1
1131 1 54 MET HA 1 57 ARG QB 2.900 . 4.300 2.860 2.197 3.452 . 0 0 "[ . 1 . 2]" 1
1132 1 54 MET HA 1 57 ARG QD 3.900 . 7.000 4.665 2.898 5.791 . 0 0 "[ . 1 . 2]" 1
1133 1 54 MET HA 1 57 ARG QG 3.400 . 6.000 3.866 2.189 4.741 . 0 0 "[ . 1 . 2]" 1
1134 1 54 MET HB2 1 55 GLY H 3.400 . 5.000 2.608 2.446 2.717 . 0 0 "[ . 1 . 2]" 1
1135 1 54 MET HB2 1 57 ARG H 3.900 . 6.000 5.584 5.256 5.958 . 0 0 "[ . 1 . 2]" 1
1136 1 54 MET HB3 1 55 GLY H 3.400 . 5.000 3.334 3.097 3.614 . 0 0 "[ . 1 . 2]" 1
1137 1 54 MET QG 1 55 GLY H 3.900 . 7.000 4.202 4.120 4.265 . 0 0 "[ . 1 . 2]" 1
1138 1 54 MET QG 1 58 MET ME 3.900 . 8.500 3.751 3.019 4.669 . 0 0 "[ . 1 . 2]" 1
1139 1 55 GLY H 1 58 MET ME 3.900 . 7.500 4.386 3.963 4.869 . 0 0 "[ . 1 . 2]" 1
1140 1 55 GLY QA 1 56 GLN H 3.400 . 6.000 2.693 2.594 2.838 . 0 0 "[ . 1 . 2]" 1
1141 1 55 GLY QA 1 57 ARG H 3.900 . 7.000 3.908 3.498 4.353 . 0 0 "[ . 1 . 2]" 1
1142 1 55 GLY QA 1 58 MET H 3.900 . 7.000 3.402 3.221 3.657 . 0 0 "[ . 1 . 2]" 1
1143 1 55 GLY QA 1 58 MET QB 3.400 . 7.000 2.869 2.450 3.467 . 0 0 "[ . 1 . 2]" 1
1144 1 55 GLY QA 1 58 MET QG 3.900 . 8.000 3.386 2.223 5.328 . 0 0 "[ . 1 . 2]" 1
1145 1 55 GLY QA 1 59 PHE H 3.900 . 7.000 4.418 2.735 5.229 . 0 0 "[ . 1 . 2]" 1
1146 1 56 GLN H 1 57 ARG QG 3.900 . 7.000 5.361 4.041 6.284 . 0 0 "[ . 1 . 2]" 1
1147 1 56 GLN HA 1 59 PHE QB 3.400 . 6.000 3.650 2.059 5.287 . 0 0 "[ . 1 . 2]" 1
1148 1 56 GLN QB 1 57 ARG H 2.900 . 4.500 2.821 2.445 3.257 . 0 0 "[ . 1 . 2]" 1
1149 1 56 GLN QB 1 59 PHE QB 3.900 . 8.000 5.105 3.567 6.386 . 0 0 "[ . 1 . 2]" 1
1150 1 56 GLN QE 1 59 PHE HA 3.900 . 7.000 5.707 3.096 6.340 . 0 0 "[ . 1 . 2]" 1
1151 1 56 GLN QG 1 59 PHE QB 3.900 . 8.000 5.457 3.354 6.427 . 0 0 "[ . 1 . 2]" 1
1152 1 57 ARG QB 1 58 MET H 2.900 . 4.500 3.015 2.477 3.383 . 0 0 "[ . 1 . 2]" 1
1153 1 58 MET H 1 59 PHE HA 3.900 . 6.000 4.820 4.214 5.205 . 0 0 "[ . 1 . 2]" 1
1154 1 58 MET H 1 59 PHE QB 3.900 . 7.000 4.430 3.771 5.102 . 0 0 "[ . 1 . 2]" 1
1155 1 58 MET HA 1 59 PHE H 2.900 . 3.500 3.367 3.144 3.567 0.067 2 0 "[ . 1 . 2]" 1
1156 1 58 MET HA 1 61 ASP QB 3.900 . 7.000 5.300 3.796 6.323 . 0 0 "[ . 1 . 2]" 1
1157 1 58 MET QB 1 59 PHE H 3.400 . 6.000 3.090 2.305 3.490 . 0 0 "[ . 1 . 2]" 1
1158 1 58 MET QB 1 59 PHE HA 3.900 . 7.000 4.287 3.954 5.002 . 0 0 "[ . 1 . 2]" 1
1159 1 58 MET QB 1 59 PHE QB 3.900 . 8.000 4.285 3.600 4.630 . 0 0 "[ . 1 . 2]" 1
1160 1 58 MET QB 1 59 PHE QD 3.400 . 8.000 4.301 2.996 5.914 . 0 0 "[ . 1 . 2]" 1
1161 1 58 MET QG 1 59 PHE H 3.900 . 7.000 4.256 3.831 4.575 . 0 0 "[ . 1 . 2]" 1
1162 1 59 PHE H 1 60 GLU H 2.900 . 3.500 2.609 2.163 3.675 0.175 20 0 "[ . 1 . 2]" 1
1163 1 59 PHE H 1 60 GLU QB 3.900 . 7.000 4.428 3.395 5.663 . 0 0 "[ . 1 . 2]" 1
1164 1 59 PHE HA 1 60 GLU H 2.400 . 2.900 2.825 2.269 3.085 0.185 18 0 "[ . 1 . 2]" 1
1165 1 59 PHE HA 1 60 GLU QB 3.900 . 7.000 4.716 3.781 5.220 . 0 0 "[ . 1 . 2]" 1
1166 1 59 PHE HA 1 62 LEU H 3.900 . 6.000 5.066 3.717 6.008 0.008 1 0 "[ . 1 . 2]" 1
1167 1 59 PHE HA 1 62 LEU QB 3.900 . 7.000 5.340 3.164 6.310 . 0 0 "[ . 1 . 2]" 1
1168 1 59 PHE HA 1 62 LEU QD 3.900 . 9.900 3.729 2.255 6.240 . 0 0 "[ . 1 . 2]" 1
1169 1 59 PHE QB 1 60 GLU H 3.400 . 6.000 3.783 3.583 4.003 . 0 0 "[ . 1 . 2]" 1
1170 1 59 PHE QB 1 60 GLU HA 3.900 . 7.000 4.658 4.191 5.473 . 0 0 "[ . 1 . 2]" 1
1171 1 59 PHE QB 1 60 GLU QB 3.900 . 8.000 4.608 3.923 5.528 . 0 0 "[ . 1 . 2]" 1
1172 1 59 PHE QB 1 61 ASP H 3.900 . 7.000 4.310 3.216 4.884 . 0 0 "[ . 1 . 2]" 1
1173 1 59 PHE QB 1 62 LEU QB 3.900 . 8.000 4.851 3.018 6.382 . 0 0 "[ . 1 . 2]" 1
1174 1 59 PHE QB 1 62 LEU QD 3.900 . 10.900 3.272 2.451 4.675 . 0 0 "[ . 1 . 2]" 1
1175 1 59 PHE QB 1 62 LEU HG 3.900 . 7.000 4.326 2.801 5.808 . 0 0 "[ . 1 . 2]" 1
1176 1 59 PHE QD 1 60 GLU HA 3.400 . 7.000 5.908 4.377 6.530 . 0 0 "[ . 1 . 2]" 1
1177 1 60 GLU H 1 61 ASP H 2.400 . 2.900 2.386 1.954 2.707 . 0 0 "[ . 1 . 2]" 1
1178 1 60 GLU H 1 61 ASP QB 3.900 . 7.000 4.264 3.493 5.044 . 0 0 "[ . 1 . 2]" 1
1179 1 60 GLU HA 1 61 ASP H 2.400 . 2.900 3.022 2.722 3.261 0.361 9 0 "[ . 1 . 2]" 1
1180 1 60 GLU HA 1 61 ASP QB 3.900 . 7.000 4.536 3.813 5.314 . 0 0 "[ . 1 . 2]" 1
1181 1 60 GLU HA 1 62 LEU QD 3.900 . 9.900 4.698 2.539 7.197 . 0 0 "[ . 1 . 2]" 1
1182 1 60 GLU QB 1 61 ASP H 3.400 . 6.000 3.585 3.097 3.868 . 0 0 "[ . 1 . 2]" 1
1183 1 60 GLU QB 1 61 ASP HA 3.900 . 7.000 4.670 4.142 5.278 . 0 0 "[ . 1 . 2]" 1
1184 1 60 GLU QB 1 62 LEU H 3.900 . 7.000 4.778 3.386 6.253 . 0 0 "[ . 1 . 2]" 1
1185 1 61 ASP H 1 62 LEU H 2.900 . 3.500 2.936 2.035 3.598 0.098 14 0 "[ . 1 . 2]" 1
1186 1 61 ASP H 1 62 LEU QB 3.900 . 7.000 4.693 3.777 5.404 . 0 0 "[ . 1 . 2]" 1
1187 1 61 ASP H 1 62 LEU QD 3.900 . 9.900 4.068 2.909 5.778 . 0 0 "[ . 1 . 2]" 1
1188 1 61 ASP HA 1 62 LEU H 2.400 . 2.900 2.614 2.081 3.082 0.182 3 0 "[ . 1 . 2]" 1
1189 1 61 ASP HA 1 62 LEU HG 3.900 . 6.000 4.812 3.971 6.167 0.167 20 0 "[ . 1 . 2]" 1
1190 1 61 ASP HA 1 63 PHE H 3.900 . 6.000 4.952 3.402 6.094 0.094 16 0 "[ . 1 . 2]" 1
1191 1 61 ASP QB 1 62 LEU H 3.900 . 7.000 3.859 3.592 3.987 . 0 0 "[ . 1 . 2]" 1
1192 1 61 ASP QB 1 62 LEU HA 3.900 . 7.000 4.532 4.236 5.249 . 0 0 "[ . 1 . 2]" 1
1193 1 61 ASP QB 1 62 LEU QB 3.900 . 8.000 5.288 4.311 5.611 . 0 0 "[ . 1 . 2]" 1
1194 1 61 ASP QB 1 62 LEU HG 3.900 . 7.000 5.038 4.089 6.112 . 0 0 "[ . 1 . 2]" 1
1195 1 61 ASP QB 1 63 PHE H 3.900 . 7.000 5.011 3.479 6.194 . 0 0 "[ . 1 . 2]" 1
1196 1 62 LEU H 1 63 PHE H 3.400 . 5.000 3.897 2.371 4.556 . 0 0 "[ . 1 . 2]" 1
1197 1 62 LEU H 1 63 PHE QB 3.900 . 7.000 5.095 3.766 6.115 . 0 0 "[ . 1 . 2]" 1
1198 1 62 LEU HA 1 63 PHE H 2.400 . 2.900 2.348 2.120 2.977 0.077 3 0 "[ . 1 . 2]" 1
1199 1 62 LEU HA 1 63 PHE QB 3.900 . 7.000 4.399 3.895 4.800 . 0 0 "[ . 1 . 2]" 1
1200 1 62 LEU QB 1 63 PHE H 3.900 . 7.000 3.497 2.653 4.003 . 0 0 "[ . 1 . 2]" 1
1201 1 62 LEU QB 1 63 PHE HA 3.900 . 7.000 4.350 4.044 5.168 . 0 0 "[ . 1 . 2]" 1
1202 1 62 LEU QD 1 63 PHE H 3.900 . 9.900 3.773 2.999 4.415 . 0 0 "[ . 1 . 2]" 1
1203 1 63 PHE HA 1 64 GLU H 2.900 . 3.500 2.825 2.155 3.529 0.029 9 0 "[ . 1 . 2]" 1
1204 1 63 PHE QB 1 64 GLU QB 3.900 . 8.000 4.766 3.744 5.521 . 0 0 "[ . 1 . 2]" 1
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