NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
396979 |
1spk   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1spk
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 1144
_Distance_constraint_stats_list.Viol_count 1253
_Distance_constraint_stats_list.Viol_total 2083.696
_Distance_constraint_stats_list.Viol_max 0.985
_Distance_constraint_stats_list.Viol_rms 0.0411
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0046
_Distance_constraint_stats_list.Viol_average_violations_only 0.0831
_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 GLY 0.047 0.047 11 0 "[ . 1 . 2]"
1 5 SER 0.344 0.194 10 0 "[ . 1 . 2]"
1 6 SER 0.297 0.194 10 0 "[ . 1 . 2]"
1 7 GLY 1.595 0.084 4 0 "[ . 1 . 2]"
1 8 GLN 16.026 0.574 8 9 "[* **.* +*1 * * -2]"
1 9 LYS 6.128 0.722 16 3 "[ . - 1 .+ *]"
1 10 VAL 0.689 0.036 18 0 "[ . 1 . 2]"
1 11 LYS 17.394 0.885 4 7 "[* -+. * 1 ** . * 2]"
1 12 THR 1.149 0.058 20 0 "[ . 1 . 2]"
1 13 ILE 6.552 0.943 9 6 "[ ** .* +1* . - 2]"
1 14 PHE 0.311 0.026 18 0 "[ . 1 . 2]"
1 15 PRO 0.184 0.015 18 0 "[ . 1 . 2]"
1 16 HIS 0.091 0.017 15 0 "[ . 1 . 2]"
1 17 THR 3.282 0.959 16 4 "[ .* 1 -.+ * 2]"
1 18 ALA 1.136 0.199 8 0 "[ . 1 . 2]"
1 19 GLY 5.766 0.959 16 5 "[ .* *1 -.+ * 2]"
1 20 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ASN 5.102 0.639 19 2 "[ . -1 . +2]"
1 22 LYS 13.435 0.985 15 8 "[ * *. 1** *+* * 2]"
1 23 THR 1.274 0.581 2 1 "[ + . 1 . 2]"
1 24 LEU 2.533 0.639 19 1 "[ . 1 . +2]"
1 25 LEU 0.099 0.028 16 0 "[ . 1 . 2]"
1 26 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 PHE 0.125 0.017 12 0 "[ . 1 . 2]"
1 28 ALA 0.338 0.021 14 0 "[ . 1 . 2]"
1 29 GLN 0.223 0.033 14 0 "[ . 1 . 2]"
1 30 GLY 0.191 0.024 17 0 "[ . 1 . 2]"
1 31 ASP 0.173 0.015 20 0 "[ . 1 . 2]"
1 32 VAL 8.547 0.722 16 6 "[- *. * 1 * .+ *]"
1 33 LEU 0.633 0.053 19 0 "[ . 1 . 2]"
1 34 THR 0.167 0.016 20 0 "[ . 1 . 2]"
1 35 LEU 3.289 0.504 19 1 "[ . 1 . +2]"
1 36 LEU 1.413 0.123 16 0 "[ . 1 . 2]"
1 37 ILE 0.672 0.045 19 0 "[ . 1 . 2]"
1 38 PRO 0.047 0.020 18 0 "[ . 1 . 2]"
1 39 GLU 7.899 0.399 15 0 "[ . 1 . 2]"
1 40 GLU 3.089 0.849 18 3 "[ . 1* - + 2]"
1 41 LYS 1.093 0.517 13 1 "[ . 1 + . 2]"
1 42 ASP 0.444 0.309 10 0 "[ . 1 . 2]"
1 43 GLY 1.303 0.718 11 2 "[ . 1+ - 2]"
1 44 TRP 1.627 0.517 13 1 "[ . 1 + . 2]"
1 45 LEU 1.310 0.849 18 1 "[ . 1 . + 2]"
1 46 TYR 2.138 0.280 11 0 "[ . 1 . 2]"
1 47 GLY 1.162 0.113 19 0 "[ . 1 . 2]"
1 48 GLU 1.618 0.285 5 0 "[ . 1 . 2]"
1 49 HIS 1.274 0.110 11 0 "[ . 1 . 2]"
1 50 ASP 1.912 0.124 18 0 "[ . 1 . 2]"
1 51 THR 1.546 0.110 11 0 "[ . 1 . 2]"
1 52 THR 0.231 0.043 15 0 "[ . 1 . 2]"
1 53 LYS 2.876 0.285 5 0 "[ . 1 . 2]"
1 54 ALA 0.435 0.036 14 0 "[ . 1 . 2]"
1 55 ARG 1.832 0.257 17 0 "[ . 1 . 2]"
1 56 GLY 0.532 0.036 1 0 "[ . 1 . 2]"
1 57 TRP 1.989 0.280 11 0 "[ . 1 . 2]"
1 58 PHE 0.081 0.021 19 0 "[ . 1 . 2]"
1 59 PRO 0.034 0.018 19 0 "[ . 1 . 2]"
1 60 SER 0.224 0.104 18 0 "[ . 1 . 2]"
1 61 SER 0.041 0.015 11 0 "[ . 1 . 2]"
1 62 TYR 0.323 0.026 18 0 "[ . 1 . 2]"
1 63 THR 0.902 0.056 17 0 "[ . 1 . 2]"
1 64 LYS 8.633 0.943 9 6 "[ ** .* +1* . - 2]"
1 65 LEU 0.887 0.130 17 0 "[ . 1 . 2]"
1 66 LEU 2.588 0.101 20 0 "[ . 1 . 2]"
1 67 SER 4.953 0.598 2 1 "[ + . 1 . 2]"
1 68 GLY 1.559 0.407 18 0 "[ . 1 . 2]"
1 69 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 GLY HA2 1 5 SER H . . 3.490 2.500 2.199 3.537 0.047 11 0 "[ . 1 . 2]" 1
2 1 5 SER HA 1 6 SER H . . 3.450 2.532 2.216 3.644 0.194 10 0 "[ . 1 . 2]" 1
3 1 6 SER H 1 6 SER HB2 . . 3.830 2.746 2.030 3.813 . 0 0 "[ . 1 . 2]" 1
4 1 6 SER HA 1 7 GLY H . . 3.380 2.309 2.216 2.503 . 0 0 "[ . 1 . 2]" 1
5 1 6 SER HB3 1 7 GLY H . . 5.390 3.716 2.463 4.612 . 0 0 "[ . 1 . 2]" 1
6 1 7 GLY H 1 8 GLN H . . 3.690 2.330 1.958 3.074 . 0 0 "[ . 1 . 2]" 1
7 1 7 GLY HA2 1 34 THR MG . . 3.950 3.617 3.357 3.739 . 0 0 "[ . 1 . 2]" 1
8 1 7 GLY HA3 1 8 GLN H . . 3.560 3.640 3.632 3.644 0.084 4 0 "[ . 1 . 2]" 1
9 1 7 GLY HA3 1 34 THR MG . . 3.720 3.276 2.987 3.539 . 0 0 "[ . 1 . 2]" 1
10 1 8 GLN H 1 8 GLN HB2 . . 3.160 2.081 2.023 2.108 . 0 0 "[ . 1 . 2]" 1
11 1 8 GLN H 1 8 GLN HB3 . . 3.370 3.368 3.258 3.415 0.045 16 0 "[ . 1 . 2]" 1
12 1 8 GLN H 1 8 GLN HG2 . . 4.050 3.562 2.959 4.036 . 0 0 "[ . 1 . 2]" 1
13 1 8 GLN H 1 8 GLN HG3 . . 4.000 4.085 4.032 4.147 0.147 15 0 "[ . 1 . 2]" 1
14 1 8 GLN H 1 34 THR MG . . 5.000 4.981 4.727 5.014 0.014 13 0 "[ . 1 . 2]" 1
15 1 8 GLN H 1 35 LEU H . . 4.530 4.498 4.379 4.539 0.009 12 0 "[ . 1 . 2]" 1
16 1 8 GLN H 1 35 LEU HB2 . . 5.500 3.104 2.922 3.245 . 0 0 "[ . 1 . 2]" 1
17 1 8 GLN H 1 35 LEU HB3 . . 4.850 4.281 4.048 4.560 . 0 0 "[ . 1 . 2]" 1
18 1 8 GLN H 1 35 LEU MD1 . . 4.850 3.443 3.142 4.288 . 0 0 "[ . 1 . 2]" 1
19 1 8 GLN HA 1 8 GLN HB2 . . 2.950 2.928 2.870 2.970 0.020 16 0 "[ . 1 . 2]" 1
20 1 8 GLN HA 1 8 GLN HG2 . . 3.410 2.972 2.270 3.558 0.148 19 0 "[ . 1 . 2]" 1
21 1 8 GLN HA 1 8 GLN HG3 . . 3.660 3.057 2.455 3.559 . 0 0 "[ . 1 . 2]" 1
22 1 8 GLN HA 1 9 LYS H . . 2.760 2.538 2.450 2.576 . 0 0 "[ . 1 . 2]" 1
23 1 8 GLN HA 1 9 LYS HB2 . . 5.500 4.586 4.518 4.659 . 0 0 "[ . 1 . 2]" 1
24 1 8 GLN HA 1 9 LYS HG3 . . 4.320 4.008 3.833 4.249 . 0 0 "[ . 1 . 2]" 1
25 1 8 GLN HA 1 35 LEU MD1 . . 5.500 3.891 3.738 4.843 . 0 0 "[ . 1 . 2]" 1
26 1 8 GLN HB2 1 8 GLN HG3 . . 2.480 2.721 2.385 3.054 0.574 8 9 "[* **.* +*1 * - *2]" 1
27 1 8 GLN HB2 1 9 LYS H . . 3.870 3.967 3.880 4.098 0.228 20 0 "[ . 1 . 2]" 1
28 1 8 GLN HB2 1 35 LEU HB3 . . 5.400 4.492 4.306 4.776 . 0 0 "[ . 1 . 2]" 1
29 1 8 GLN HB2 1 35 LEU MD1 . . 3.640 2.648 2.453 3.016 . 0 0 "[ . 1 . 2]" 1
30 1 8 GLN HB2 1 65 LEU QD . . 3.600 3.468 3.174 3.621 0.021 19 0 "[ . 1 . 2]" 1
31 1 8 GLN HB3 1 8 GLN HG3 . . 2.400 2.488 2.447 2.583 0.183 5 0 "[ . 1 . 2]" 1
32 1 8 GLN HB3 1 9 LYS H . . 4.070 2.608 2.451 2.879 . 0 0 "[ . 1 . 2]" 1
33 1 8 GLN HB3 1 35 LEU HB3 . . 5.500 5.183 4.837 5.542 0.042 16 0 "[ . 1 . 2]" 1
34 1 8 GLN HB3 1 35 LEU MD1 . . 3.820 2.291 2.075 2.604 . 0 0 "[ . 1 . 2]" 1
35 1 8 GLN HB3 1 65 LEU QD . . 3.630 2.605 2.315 2.769 . 0 0 "[ . 1 . 2]" 1
36 1 8 GLN HE21 1 9 LYS H . . 4.850 3.990 2.973 4.997 0.147 10 0 "[ . 1 . 2]" 1
37 1 8 GLN HE21 1 65 LEU QD . . 4.920 4.151 2.063 4.856 . 0 0 "[ . 1 . 2]" 1
38 1 8 GLN HE22 1 9 LYS H . . 5.500 4.406 2.960 5.543 0.043 15 0 "[ . 1 . 2]" 1
39 1 8 GLN HG2 1 9 LYS H . . 4.930 4.121 3.726 4.408 . 0 0 "[ . 1 . 2]" 1
40 1 8 GLN HG2 1 35 LEU MD1 . . 4.830 4.432 4.207 4.707 . 0 0 "[ . 1 . 2]" 1
41 1 8 GLN HG2 1 65 LEU QD . . 4.070 3.460 2.683 4.048 . 0 0 "[ . 1 . 2]" 1
42 1 8 GLN HG3 1 9 LYS H . . 5.440 3.594 2.817 4.239 . 0 0 "[ . 1 . 2]" 1
43 1 8 GLN HG3 1 35 LEU MD1 . . 4.280 4.328 4.207 4.784 0.504 19 1 "[ . 1 . +2]" 1
44 1 8 GLN HG3 1 65 LEU QD . . 3.890 2.983 2.651 3.371 . 0 0 "[ . 1 . 2]" 1
45 1 9 LYS H 1 9 LYS HB2 . . 3.570 2.566 2.528 2.602 . 0 0 "[ . 1 . 2]" 1
46 1 9 LYS H 1 9 LYS HG2 . . 3.760 3.442 3.282 3.751 . 0 0 "[ . 1 . 2]" 1
47 1 9 LYS H 1 9 LYS HG3 . . 3.560 3.316 3.167 3.503 . 0 0 "[ . 1 . 2]" 1
48 1 9 LYS HA 1 9 LYS HD2 . . 4.510 3.839 3.753 3.979 . 0 0 "[ . 1 . 2]" 1
49 1 9 LYS HA 1 9 LYS HD3 . . 4.450 3.748 3.166 4.476 0.026 4 0 "[ . 1 . 2]" 1
50 1 9 LYS HA 1 9 LYS HG2 . . 3.660 2.280 2.218 2.335 . 0 0 "[ . 1 . 2]" 1
51 1 9 LYS HA 1 9 LYS HG3 . . 3.760 3.469 3.260 3.580 . 0 0 "[ . 1 . 2]" 1
52 1 9 LYS HA 1 10 VAL H . . 2.850 2.279 2.276 2.281 . 0 0 "[ . 1 . 2]" 1
53 1 9 LYS HA 1 10 VAL MG2 . . 5.500 3.521 3.409 3.640 . 0 0 "[ . 1 . 2]" 1
54 1 9 LYS HA 1 32 VAL MG1 . . 3.820 3.776 3.660 3.838 0.018 18 0 "[ . 1 . 2]" 1
55 1 9 LYS HA 1 33 LEU H . . 5.500 4.646 4.562 4.715 . 0 0 "[ . 1 . 2]" 1
56 1 9 LYS HA 1 34 THR HA . . 2.940 2.762 2.568 2.895 . 0 0 "[ . 1 . 2]" 1
57 1 9 LYS HA 1 34 THR MG . . 5.130 4.161 4.002 4.278 . 0 0 "[ . 1 . 2]" 1
58 1 9 LYS HA 1 35 LEU H . . 3.580 3.079 2.844 3.202 . 0 0 "[ . 1 . 2]" 1
59 1 9 LYS HB2 1 9 LYS HD2 . . 3.940 3.046 2.955 3.376 . 0 0 "[ . 1 . 2]" 1
60 1 9 LYS HB2 1 9 LYS HG3 . . 2.900 2.290 2.265 2.343 . 0 0 "[ . 1 . 2]" 1
61 1 9 LYS HB2 1 10 VAL H . . 4.130 4.089 4.047 4.137 0.007 4 0 "[ . 1 . 2]" 1
62 1 9 LYS HB2 1 66 LEU HB2 . . 4.430 3.058 2.634 3.456 . 0 0 "[ . 1 . 2]" 1
63 1 9 LYS HB2 1 66 LEU HB3 . . 4.530 4.188 3.731 4.546 0.016 20 0 "[ . 1 . 2]" 1
64 1 9 LYS HB2 1 66 LEU MD1 . . 3.440 2.515 2.178 3.127 . 0 0 "[ . 1 . 2]" 1
65 1 9 LYS HB3 1 10 VAL H . . 3.480 2.996 2.983 3.009 . 0 0 "[ . 1 . 2]" 1
66 1 9 LYS HB3 1 32 VAL MG1 . . 3.380 2.405 2.295 2.521 . 0 0 "[ . 1 . 2]" 1
67 1 9 LYS HB3 1 33 LEU H . . 5.140 4.524 4.301 4.660 . 0 0 "[ . 1 . 2]" 1
68 1 9 LYS HD2 1 32 VAL MG1 . . 3.490 2.188 2.053 2.371 . 0 0 "[ . 1 . 2]" 1
69 1 9 LYS HD2 1 34 THR HA . . 5.500 4.480 4.093 4.718 . 0 0 "[ . 1 . 2]" 1
70 1 9 LYS HD2 1 34 THR MG . . 5.290 4.752 4.332 5.142 . 0 0 "[ . 1 . 2]" 1
71 1 9 LYS HD3 1 32 VAL MG1 . . 3.080 2.982 2.629 3.493 0.413 4 0 "[ . 1 . 2]" 1
72 1 9 LYS HD3 1 34 THR HA . . 4.630 3.392 2.900 4.427 . 0 0 "[ . 1 . 2]" 1
73 1 9 LYS HD3 1 34 THR MG . . 4.330 3.351 2.932 3.783 . 0 0 "[ . 1 . 2]" 1
74 1 9 LYS HE2 1 9 LYS HG2 . . 3.910 3.459 3.141 4.244 0.334 4 0 "[ . 1 . 2]" 1
75 1 9 LYS HE2 1 9 LYS HG3 . . 4.200 2.364 2.011 3.664 . 0 0 "[ . 1 . 2]" 1
76 1 9 LYS HE2 1 32 VAL MG1 . . 4.550 4.216 3.543 4.553 0.003 6 0 "[ . 1 . 2]" 1
77 1 9 LYS HE3 1 32 VAL MG1 . . 3.780 3.734 3.227 4.502 0.722 16 3 "[ . - 1 .+ *]" 1
78 1 9 LYS HG2 1 10 VAL H . . 4.540 4.309 4.106 4.417 . 0 0 "[ . 1 . 2]" 1
79 1 9 LYS HG2 1 32 VAL MG1 . . 4.460 4.047 3.701 4.273 . 0 0 "[ . 1 . 2]" 1
80 1 9 LYS HG2 1 34 THR HA . . 4.040 2.905 2.605 3.163 . 0 0 "[ . 1 . 2]" 1
81 1 9 LYS HG3 1 10 VAL H . . 5.500 5.307 5.185 5.355 . 0 0 "[ . 1 . 2]" 1
82 1 9 LYS HG3 1 34 THR HA . . 4.950 4.630 4.343 4.839 . 0 0 "[ . 1 . 2]" 1
83 1 10 VAL H 1 10 VAL MG1 . . 3.560 3.116 2.973 3.264 . 0 0 "[ . 1 . 2]" 1
84 1 10 VAL H 1 10 VAL MG2 . . 3.310 2.015 1.914 2.223 . 0 0 "[ . 1 . 2]" 1
85 1 10 VAL H 1 32 VAL HA . . 4.700 4.410 4.288 4.468 . 0 0 "[ . 1 . 2]" 1
86 1 10 VAL H 1 32 VAL MG1 . . 3.690 3.093 2.897 3.224 . 0 0 "[ . 1 . 2]" 1
87 1 10 VAL H 1 33 LEU H . . 3.730 2.955 2.868 3.017 . 0 0 "[ . 1 . 2]" 1
88 1 10 VAL H 1 33 LEU HB2 . . 4.930 4.182 4.008 4.341 . 0 0 "[ . 1 . 2]" 1
89 1 10 VAL H 1 33 LEU QD . . 4.930 4.595 4.146 4.727 . 0 0 "[ . 1 . 2]" 1
90 1 10 VAL H 1 34 THR HA . . 4.050 3.951 3.840 4.010 . 0 0 "[ . 1 . 2]" 1
91 1 10 VAL HA 1 10 VAL MG1 . . 3.180 2.274 2.098 2.382 . 0 0 "[ . 1 . 2]" 1
92 1 10 VAL HA 1 11 LYS H . . 3.050 2.375 2.369 2.380 . 0 0 "[ . 1 . 2]" 1
93 1 10 VAL HA 1 11 LYS HB2 . . 5.500 4.645 4.584 4.740 . 0 0 "[ . 1 . 2]" 1
94 1 10 VAL HA 1 63 THR HB . . 4.620 4.614 4.467 4.654 0.034 20 0 "[ . 1 . 2]" 1
95 1 10 VAL HA 1 64 LYS H . . 4.900 4.153 4.019 4.303 . 0 0 "[ . 1 . 2]" 1
96 1 10 VAL HA 1 65 LEU HA . . 3.040 2.568 2.384 2.854 . 0 0 "[ . 1 . 2]" 1
97 1 10 VAL HA 1 65 LEU QD . . 5.500 3.907 3.101 4.322 . 0 0 "[ . 1 . 2]" 1
98 1 10 VAL HA 1 66 LEU H . . 3.210 2.677 2.605 2.781 . 0 0 "[ . 1 . 2]" 1
99 1 10 VAL HA 1 66 LEU HB2 . . 4.390 4.377 4.236 4.426 0.036 18 0 "[ . 1 . 2]" 1
100 1 10 VAL HA 1 66 LEU HB3 . . 5.490 5.322 5.191 5.519 0.029 4 0 "[ . 1 . 2]" 1
101 1 10 VAL HA 1 66 LEU MD1 . . 4.800 4.298 3.930 4.521 . 0 0 "[ . 1 . 2]" 1
102 1 10 VAL HA 1 66 LEU MD2 . . 5.500 2.634 2.285 3.397 . 0 0 "[ . 1 . 2]" 1
103 1 10 VAL HA 1 66 LEU HG . . 3.610 2.890 2.441 3.187 . 0 0 "[ . 1 . 2]" 1
104 1 10 VAL HB 1 11 LYS H . . 3.300 2.711 2.703 2.738 . 0 0 "[ . 1 . 2]" 1
105 1 10 VAL HB 1 63 THR HA . . 4.480 4.141 4.009 4.366 . 0 0 "[ . 1 . 2]" 1
106 1 10 VAL HB 1 63 THR HB . . 3.080 2.180 2.002 2.283 . 0 0 "[ . 1 . 2]" 1
107 1 10 VAL HB 1 63 THR MG . . 4.340 3.699 3.493 3.814 . 0 0 "[ . 1 . 2]" 1
108 1 10 VAL HB 1 64 LYS H . . 3.870 3.028 2.865 3.285 . 0 0 "[ . 1 . 2]" 1
109 1 10 VAL HB 1 65 LEU HA . . 4.400 3.900 3.711 4.203 . 0 0 "[ . 1 . 2]" 1
110 1 10 VAL HB 1 66 LEU H . . 5.500 5.012 4.898 5.114 . 0 0 "[ . 1 . 2]" 1
111 1 10 VAL MG1 1 11 LYS H . . 5.140 3.679 3.512 3.790 . 0 0 "[ . 1 . 2]" 1
112 1 10 VAL MG1 1 63 THR HB . . 3.810 3.428 3.188 3.615 . 0 0 "[ . 1 . 2]" 1
113 1 10 VAL MG1 1 65 LEU H . . 4.360 3.803 3.591 3.977 . 0 0 "[ . 1 . 2]" 1
114 1 10 VAL MG1 1 65 LEU HA . . 2.950 2.247 1.962 2.590 . 0 0 "[ . 1 . 2]" 1
115 1 10 VAL MG1 1 66 LEU H . . 4.550 3.487 3.073 3.664 . 0 0 "[ . 1 . 2]" 1
116 1 10 VAL MG2 1 11 LYS H . . 4.070 3.830 3.724 3.947 . 0 0 "[ . 1 . 2]" 1
117 1 10 VAL MG2 1 12 THR H . . 5.150 4.995 4.779 5.168 0.018 15 0 "[ . 1 . 2]" 1
118 1 10 VAL MG2 1 12 THR MG . . 3.950 3.834 3.508 3.986 0.036 15 0 "[ . 1 . 2]" 1
119 1 10 VAL MG2 1 33 LEU H . . 3.860 2.723 2.565 2.905 . 0 0 "[ . 1 . 2]" 1
120 1 10 VAL MG2 1 33 LEU HB2 . . 3.280 2.597 2.424 2.706 . 0 0 "[ . 1 . 2]" 1
121 1 10 VAL MG2 1 33 LEU HB3 . . 4.150 4.038 3.855 4.158 0.008 20 0 "[ . 1 . 2]" 1
122 1 10 VAL MG2 1 33 LEU QD . . 3.540 2.567 2.168 2.928 . 0 0 "[ . 1 . 2]" 1
123 1 10 VAL MG2 1 33 LEU HG . . 4.020 3.732 3.160 4.032 0.012 2 0 "[ . 1 . 2]" 1
124 1 10 VAL MG2 1 34 THR H . . 5.220 4.860 4.708 5.022 . 0 0 "[ . 1 . 2]" 1
125 1 10 VAL MG2 1 35 LEU H . . 5.500 4.013 3.871 4.275 . 0 0 "[ . 1 . 2]" 1
126 1 10 VAL MG2 1 35 LEU MD1 . . 3.190 2.165 1.936 2.755 . 0 0 "[ . 1 . 2]" 1
127 1 10 VAL MG2 1 35 LEU MD2 . . 3.260 3.116 1.969 3.270 0.010 2 0 "[ . 1 . 2]" 1
128 1 10 VAL MG2 1 35 LEU HG . . 4.060 2.512 2.355 2.811 . 0 0 "[ . 1 . 2]" 1
129 1 10 VAL MG2 1 58 PHE QE . . 4.810 3.056 2.757 3.387 . 0 0 "[ . 1 . 2]" 1
130 1 10 VAL MG2 1 58 PHE HZ . . 4.810 2.873 2.457 3.355 . 0 0 "[ . 1 . 2]" 1
131 1 10 VAL MG2 1 63 THR HB . . 3.630 2.517 2.372 2.677 . 0 0 "[ . 1 . 2]" 1
132 1 10 VAL MG2 1 63 THR HG1 . . 5.400 4.030 3.509 4.607 . 0 0 "[ . 1 . 2]" 1
133 1 10 VAL MG2 1 63 THR MG . . 3.300 2.828 2.629 2.960 . 0 0 "[ . 1 . 2]" 1
134 1 11 LYS H 1 11 LYS HB2 . . 3.410 3.356 3.290 3.440 0.030 4 0 "[ . 1 . 2]" 1
135 1 11 LYS H 1 11 LYS HB3 . . 3.570 2.488 2.447 2.528 . 0 0 "[ . 1 . 2]" 1
136 1 11 LYS H 1 11 LYS QG . . 4.090 3.785 3.700 3.849 . 0 0 "[ . 1 . 2]" 1
137 1 11 LYS H 1 12 THR HA . . 5.500 4.815 4.775 4.849 . 0 0 "[ . 1 . 2]" 1
138 1 11 LYS H 1 12 THR MG . . 5.500 4.761 4.687 4.848 . 0 0 "[ . 1 . 2]" 1
139 1 11 LYS H 1 32 VAL HA . . 5.320 5.167 5.009 5.326 0.006 12 0 "[ . 1 . 2]" 1
140 1 11 LYS H 1 63 THR HA . . 5.400 4.258 4.081 4.357 . 0 0 "[ . 1 . 2]" 1
141 1 11 LYS H 1 63 THR HB . . 4.310 3.884 3.735 4.015 . 0 0 "[ . 1 . 2]" 1
142 1 11 LYS H 1 64 LYS H . . 3.490 2.378 2.183 2.537 . 0 0 "[ . 1 . 2]" 1
143 1 11 LYS H 1 64 LYS HG3 . . 5.500 4.381 2.592 5.343 . 0 0 "[ . 1 . 2]" 1
144 1 11 LYS H 1 65 LEU HA . . 4.570 3.946 3.772 4.197 . 0 0 "[ . 1 . 2]" 1
145 1 11 LYS H 1 66 LEU H . . 4.210 4.226 4.201 4.272 0.062 20 0 "[ . 1 . 2]" 1
146 1 11 LYS H 1 66 LEU HA . . 5.500 4.569 4.342 4.977 . 0 0 "[ . 1 . 2]" 1
147 1 11 LYS H 1 66 LEU MD2 . . 3.570 2.500 2.308 2.903 . 0 0 "[ . 1 . 2]" 1
148 1 11 LYS H 1 66 LEU HG . . 5.490 4.163 3.634 4.545 . 0 0 "[ . 1 . 2]" 1
149 1 11 LYS HA 1 11 LYS HD2 . . 4.460 4.493 4.455 4.575 0.115 20 0 "[ . 1 . 2]" 1
150 1 11 LYS HA 1 11 LYS QG . . 3.710 2.629 2.580 2.714 . 0 0 "[ . 1 . 2]" 1
151 1 11 LYS HA 1 12 THR H . . 2.850 2.213 2.204 2.253 . 0 0 "[ . 1 . 2]" 1
152 1 11 LYS HA 1 12 THR MG . . 4.360 3.283 3.150 3.432 . 0 0 "[ . 1 . 2]" 1
153 1 11 LYS HA 1 32 VAL HA . . 3.160 2.715 2.592 2.880 . 0 0 "[ . 1 . 2]" 1
154 1 11 LYS HA 1 32 VAL MG1 . . 4.520 4.051 3.905 4.180 . 0 0 "[ . 1 . 2]" 1
155 1 11 LYS HA 1 32 VAL MG2 . . 3.440 3.126 2.935 3.378 . 0 0 "[ . 1 . 2]" 1
156 1 11 LYS HA 1 33 LEU H . . 4.290 3.792 3.697 3.941 . 0 0 "[ . 1 . 2]" 1
157 1 11 LYS HA 1 66 LEU MD1 . . 4.480 4.471 4.379 4.495 0.015 17 0 "[ . 1 . 2]" 1
158 1 11 LYS HA 1 66 LEU MD2 . . 5.500 3.081 2.791 3.711 . 0 0 "[ . 1 . 2]" 1
159 1 11 LYS HB2 1 11 LYS HE3 . . 5.500 2.977 2.675 3.772 . 0 0 "[ . 1 . 2]" 1
160 1 11 LYS HB2 1 11 LYS QG . . 2.610 2.409 2.377 2.439 . 0 0 "[ . 1 . 2]" 1
161 1 11 LYS HB2 1 12 THR H . . 4.530 4.025 3.879 4.096 . 0 0 "[ . 1 . 2]" 1
162 1 11 LYS HB2 1 66 LEU MD2 . . 3.090 1.877 1.808 1.958 . 0 0 "[ . 1 . 2]" 1
163 1 11 LYS HB3 1 11 LYS HE3 . . 3.540 4.047 3.858 4.425 0.885 4 7 "[* -+. * 1 ** . * 2]" 1
164 1 11 LYS HB3 1 12 THR H . . 4.380 4.395 4.331 4.438 0.058 20 0 "[ . 1 . 2]" 1
165 1 11 LYS HB3 1 32 VAL MG2 . . 3.970 4.158 3.871 4.499 0.529 1 1 "[+ . 1 . 2]" 1
166 1 11 LYS HB3 1 64 LYS H . . 5.500 4.022 3.810 4.320 . 0 0 "[ . 1 . 2]" 1
167 1 11 LYS HB3 1 66 LEU MD2 . . 3.330 2.067 1.767 2.251 . 0 0 "[ . 1 . 2]" 1
168 1 11 LYS HD2 1 11 LYS HE3 . . 2.750 2.715 2.287 2.772 0.022 8 0 "[ . 1 . 2]" 1
169 1 11 LYS HD2 1 66 LEU MD2 . . 3.410 2.880 2.258 3.145 . 0 0 "[ . 1 . 2]" 1
170 1 11 LYS HD3 1 11 LYS QG . . 2.520 2.180 2.179 2.183 . 0 0 "[ . 1 . 2]" 1
171 1 11 LYS HD3 1 13 ILE MG . . 5.500 3.923 3.687 4.140 . 0 0 "[ . 1 . 2]" 1
172 1 11 LYS HD3 1 30 GLY HA2 . . 4.590 3.620 3.408 3.731 . 0 0 "[ . 1 . 2]" 1
173 1 11 LYS HD3 1 30 GLY HA3 . . 5.360 5.235 4.993 5.364 0.004 14 0 "[ . 1 . 2]" 1
174 1 11 LYS HE2 1 11 LYS QG . . 3.870 2.709 2.050 2.797 . 0 0 "[ . 1 . 2]" 1
175 1 11 LYS HE2 1 30 GLY HA2 . . 3.940 2.355 2.023 2.570 . 0 0 "[ . 1 . 2]" 1
176 1 11 LYS HE2 1 30 GLY HA3 . . 4.490 3.520 3.258 3.690 . 0 0 "[ . 1 . 2]" 1
177 1 11 LYS HE3 1 11 LYS QG . . 3.440 2.240 2.095 3.311 . 0 0 "[ . 1 . 2]" 1
178 1 11 LYS HE3 1 32 VAL MG2 . . 3.430 3.071 2.656 4.073 0.643 13 2 "[ -. 1 + . 2]" 1
179 1 11 LYS HE3 1 66 LEU MD1 . . 4.820 4.659 4.487 4.845 0.025 20 0 "[ . 1 . 2]" 1
180 1 11 LYS HE3 1 66 LEU MD2 . . 4.020 4.007 3.775 4.040 0.020 5 0 "[ . 1 . 2]" 1
181 1 11 LYS QG 1 12 THR H . . 4.080 2.633 2.463 2.724 . 0 0 "[ . 1 . 2]" 1
182 1 11 LYS QG 1 13 ILE MG . . 5.150 3.048 2.840 3.361 . 0 0 "[ . 1 . 2]" 1
183 1 11 LYS QG 1 30 GLY HA2 . . 4.450 2.563 2.223 2.740 . 0 0 "[ . 1 . 2]" 1
184 1 11 LYS QG 1 30 GLY HA3 . . 4.990 4.075 3.734 4.214 . 0 0 "[ . 1 . 2]" 1
185 1 11 LYS QG 1 32 VAL MG2 . . 5.500 3.518 3.185 3.764 . 0 0 "[ . 1 . 2]" 1
186 1 12 THR H 1 12 THR MG . . 3.200 2.027 1.907 2.222 . 0 0 "[ . 1 . 2]" 1
187 1 12 THR H 1 30 GLY H . . 3.910 3.222 3.128 3.374 . 0 0 "[ . 1 . 2]" 1
188 1 12 THR H 1 30 GLY HA2 . . 5.500 4.227 3.978 4.435 . 0 0 "[ . 1 . 2]" 1
189 1 12 THR H 1 30 GLY HA3 . . 5.450 5.353 5.179 5.467 0.017 17 0 "[ . 1 . 2]" 1
190 1 12 THR H 1 31 ASP H . . 4.310 4.259 4.071 4.323 0.013 8 0 "[ . 1 . 2]" 1
191 1 12 THR H 1 31 ASP HB2 . . 5.500 4.253 4.031 4.437 . 0 0 "[ . 1 . 2]" 1
192 1 12 THR H 1 32 VAL HA . . 4.480 3.849 3.735 3.945 . 0 0 "[ . 1 . 2]" 1
193 1 12 THR H 1 32 VAL MG2 . . 5.500 4.368 4.230 4.524 . 0 0 "[ . 1 . 2]" 1
194 1 12 THR H 1 33 LEU QD . . 5.500 3.872 3.406 4.145 . 0 0 "[ . 1 . 2]" 1
195 1 12 THR HA 1 12 THR HB . . 2.920 2.466 2.420 2.486 . 0 0 "[ . 1 . 2]" 1
196 1 12 THR HA 1 12 THR MG . . 3.290 2.550 2.471 2.585 . 0 0 "[ . 1 . 2]" 1
197 1 12 THR HA 1 13 ILE H . . 2.890 2.178 2.163 2.219 . 0 0 "[ . 1 . 2]" 1
198 1 12 THR HA 1 13 ILE HA . . 4.810 4.328 4.324 4.333 . 0 0 "[ . 1 . 2]" 1
199 1 12 THR HA 1 13 ILE MG . . 4.430 3.790 3.627 4.038 . 0 0 "[ . 1 . 2]" 1
200 1 12 THR HA 1 14 PHE H . . 4.170 3.440 3.383 3.561 . 0 0 "[ . 1 . 2]" 1
201 1 12 THR HA 1 63 THR H . . 5.500 4.679 4.532 4.787 . 0 0 "[ . 1 . 2]" 1
202 1 12 THR HA 1 63 THR HA . . 2.930 2.150 2.047 2.228 . 0 0 "[ . 1 . 2]" 1
203 1 12 THR HA 1 63 THR HB . . 4.500 4.012 3.757 4.131 . 0 0 "[ . 1 . 2]" 1
204 1 12 THR HA 1 63 THR MG . . 3.510 2.508 2.186 2.710 . 0 0 "[ . 1 . 2]" 1
205 1 12 THR HA 1 64 LYS H . . 4.260 3.674 3.614 3.769 . 0 0 "[ . 1 . 2]" 1
206 1 12 THR HB 1 13 ILE H . . 3.740 3.374 3.180 3.457 . 0 0 "[ . 1 . 2]" 1
207 1 12 THR HB 1 14 PHE H . . 3.840 2.910 2.726 3.044 . 0 0 "[ . 1 . 2]" 1
208 1 12 THR HB 1 27 PHE HZ . . 5.500 4.041 3.397 4.493 . 0 0 "[ . 1 . 2]" 1
209 1 12 THR HB 1 29 GLN HA . . 4.340 3.220 2.875 3.573 . 0 0 "[ . 1 . 2]" 1
210 1 12 THR HB 1 30 GLY H . . 5.500 3.821 3.530 4.052 . 0 0 "[ . 1 . 2]" 1
211 1 12 THR HB 1 31 ASP H . . 5.170 5.154 4.991 5.185 0.015 20 0 "[ . 1 . 2]" 1
212 1 12 THR HB 1 63 THR HA . . 4.340 4.367 4.350 4.396 0.056 17 0 "[ . 1 . 2]" 1
213 1 12 THR HB 1 63 THR MG . . 4.120 3.359 3.139 3.491 . 0 0 "[ . 1 . 2]" 1
214 1 12 THR HG1 1 14 PHE H . . 5.500 4.590 4.277 4.922 . 0 0 "[ . 1 . 2]" 1
215 1 12 THR HG1 1 27 PHE HB2 . . 5.500 3.992 3.250 4.607 . 0 0 "[ . 1 . 2]" 1
216 1 12 THR HG1 1 28 ALA H . . 5.500 4.348 3.644 4.950 . 0 0 "[ . 1 . 2]" 1
217 1 12 THR HG1 1 28 ALA MB . . 5.500 4.823 4.525 5.458 . 0 0 "[ . 1 . 2]" 1
218 1 12 THR HG1 1 29 GLN HA . . 3.330 2.304 2.049 3.003 . 0 0 "[ . 1 . 2]" 1
219 1 12 THR HG1 1 30 GLY H . . 3.890 2.497 1.950 2.841 . 0 0 "[ . 1 . 2]" 1
220 1 12 THR HG1 1 30 GLY HA3 . . 5.500 4.886 4.311 5.163 . 0 0 "[ . 1 . 2]" 1
221 1 12 THR HG1 1 31 ASP H . . 3.640 2.864 2.613 3.011 . 0 0 "[ . 1 . 2]" 1
222 1 12 THR HG1 1 31 ASP HB2 . . 4.550 2.856 2.518 3.003 . 0 0 "[ . 1 . 2]" 1
223 1 12 THR HG1 1 31 ASP HB3 . . 5.500 4.543 4.177 4.728 . 0 0 "[ . 1 . 2]" 1
224 1 12 THR MG 1 13 ILE H . . 4.480 4.221 4.146 4.305 . 0 0 "[ . 1 . 2]" 1
225 1 12 THR MG 1 14 PHE H . . 5.050 4.449 4.336 4.576 . 0 0 "[ . 1 . 2]" 1
226 1 12 THR MG 1 27 PHE HB2 . . 4.290 3.404 2.546 3.740 . 0 0 "[ . 1 . 2]" 1
227 1 12 THR MG 1 27 PHE HB3 . . 5.500 4.199 3.491 4.504 . 0 0 "[ . 1 . 2]" 1
228 1 12 THR MG 1 27 PHE QE . . 4.570 2.683 2.274 2.951 . 0 0 "[ . 1 . 2]" 1
229 1 12 THR MG 1 27 PHE HZ . . 4.420 3.191 2.601 3.670 . 0 0 "[ . 1 . 2]" 1
230 1 12 THR MG 1 28 ALA H . . 5.270 4.737 4.284 5.099 . 0 0 "[ . 1 . 2]" 1
231 1 12 THR MG 1 29 GLN HA . . 4.750 4.043 3.750 4.421 . 0 0 "[ . 1 . 2]" 1
232 1 12 THR MG 1 30 GLY H . . 4.940 3.831 3.612 4.057 . 0 0 "[ . 1 . 2]" 1
233 1 12 THR MG 1 31 ASP H . . 4.360 3.922 3.603 4.115 . 0 0 "[ . 1 . 2]" 1
234 1 12 THR MG 1 31 ASP HB2 . . 4.260 2.729 2.366 2.985 . 0 0 "[ . 1 . 2]" 1
235 1 12 THR MG 1 31 ASP HB3 . . 5.320 3.775 3.418 4.007 . 0 0 "[ . 1 . 2]" 1
236 1 12 THR MG 1 32 VAL H . . 5.500 4.978 4.693 5.191 . 0 0 "[ . 1 . 2]" 1
237 1 12 THR MG 1 33 LEU H . . 5.350 4.192 4.099 4.316 . 0 0 "[ . 1 . 2]" 1
238 1 12 THR MG 1 33 LEU QD . . 3.160 1.928 1.765 2.196 . 0 0 "[ . 1 . 2]" 1
239 1 12 THR MG 1 33 LEU HG . . 3.810 3.001 2.837 3.305 . 0 0 "[ . 1 . 2]" 1
240 1 12 THR MG 1 63 THR HA . . 5.080 3.647 3.458 3.762 . 0 0 "[ . 1 . 2]" 1
241 1 12 THR MG 1 63 THR HB . . 5.500 3.869 3.670 4.032 . 0 0 "[ . 1 . 2]" 1
242 1 12 THR MG 1 63 THR MG . . 3.080 2.017 1.888 2.326 . 0 0 "[ . 1 . 2]" 1
243 1 12 THR MG 1 64 LYS H . . 5.500 4.650 4.502 4.796 . 0 0 "[ . 1 . 2]" 1
244 1 13 ILE H 1 13 ILE MD . . 4.410 3.641 3.590 3.662 . 0 0 "[ . 1 . 2]" 1
245 1 13 ILE H 1 13 ILE QG . . 3.600 1.888 1.839 1.910 . 0 0 "[ . 1 . 2]" 1
246 1 13 ILE H 1 13 ILE MG . . 3.550 2.806 2.664 3.114 . 0 0 "[ . 1 . 2]" 1
247 1 13 ILE H 1 14 PHE H . . 3.100 2.147 1.980 2.238 . 0 0 "[ . 1 . 2]" 1
248 1 13 ILE H 1 62 TYR HA . . 5.270 3.944 3.627 4.077 . 0 0 "[ . 1 . 2]" 1
249 1 13 ILE H 1 62 TYR HB3 . . 5.160 4.685 4.270 4.863 . 0 0 "[ . 1 . 2]" 1
250 1 13 ILE H 1 63 THR HA . . 3.500 3.036 2.795 3.173 . 0 0 "[ . 1 . 2]" 1
251 1 13 ILE H 1 63 THR MG . . 4.900 4.038 3.758 4.183 . 0 0 "[ . 1 . 2]" 1
252 1 13 ILE HA 1 13 ILE HB . . 2.980 2.509 2.437 2.618 . 0 0 "[ . 1 . 2]" 1
253 1 13 ILE HA 1 13 ILE MD . . 4.500 4.133 4.118 4.142 . 0 0 "[ . 1 . 2]" 1
254 1 13 ILE HA 1 13 ILE MG . . 3.030 2.256 2.102 2.365 . 0 0 "[ . 1 . 2]" 1
255 1 13 ILE HA 1 29 GLN HA . . 5.500 4.514 3.957 4.769 . 0 0 "[ . 1 . 2]" 1
256 1 13 ILE HA 1 29 GLN HE21 . . 5.500 3.239 2.444 4.573 . 0 0 "[ . 1 . 2]" 1
257 1 13 ILE HA 1 29 GLN HE22 . . 5.500 4.543 3.919 5.400 . 0 0 "[ . 1 . 2]" 1
258 1 13 ILE HA 1 29 GLN HG2 . . 4.630 3.431 3.076 3.610 . 0 0 "[ . 1 . 2]" 1
259 1 13 ILE HA 1 29 GLN HG3 . . 3.670 2.533 2.418 2.783 . 0 0 "[ . 1 . 2]" 1
260 1 13 ILE HA 1 30 GLY H . . 5.500 4.134 3.920 4.424 . 0 0 "[ . 1 . 2]" 1
261 1 13 ILE HB 1 13 ILE MD . . 2.990 2.238 2.162 2.366 . 0 0 "[ . 1 . 2]" 1
262 1 13 ILE HB 1 14 PHE H . . 4.430 4.246 4.144 4.370 . 0 0 "[ . 1 . 2]" 1
263 1 13 ILE HB 1 14 PHE QD . . 5.500 4.117 3.714 4.325 . 0 0 "[ . 1 . 2]" 1
264 1 13 ILE HB 1 14 PHE QE . . 5.500 3.886 3.491 4.148 . 0 0 "[ . 1 . 2]" 1
265 1 13 ILE MD 1 14 PHE H . . 4.830 4.597 4.475 4.733 . 0 0 "[ . 1 . 2]" 1
266 1 13 ILE MD 1 14 PHE QD . . 4.640 3.264 3.072 3.551 . 0 0 "[ . 1 . 2]" 1
267 1 13 ILE MD 1 14 PHE QE . . 3.880 2.406 1.990 2.936 . 0 0 "[ . 1 . 2]" 1
268 1 13 ILE MD 1 14 PHE HZ . . 5.500 3.269 2.740 4.508 . 0 0 "[ . 1 . 2]" 1
269 1 13 ILE MD 1 62 TYR HA . . 4.320 3.741 3.251 4.062 . 0 0 "[ . 1 . 2]" 1
270 1 13 ILE MD 1 63 THR H . . 5.260 4.364 3.736 4.708 . 0 0 "[ . 1 . 2]" 1
271 1 13 ILE MD 1 63 THR HA . . 4.980 4.509 4.161 4.704 . 0 0 "[ . 1 . 2]" 1
272 1 13 ILE MD 1 64 LYS H . . 5.400 4.910 4.640 5.072 . 0 0 "[ . 1 . 2]" 1
273 1 13 ILE MD 1 64 LYS QB . . 4.530 3.673 2.965 3.999 . 0 0 "[ . 1 . 2]" 1
274 1 13 ILE MD 1 64 LYS HD2 . . 4.220 2.713 1.814 4.883 0.663 3 1 "[ + . 1 . 2]" 1
275 1 13 ILE MD 1 64 LYS HE2 . . 5.500 3.927 1.923 5.357 . 0 0 "[ . 1 . 2]" 1
276 1 13 ILE MD 1 64 LYS HE3 . . 5.500 3.429 1.934 5.296 . 0 0 "[ . 1 . 2]" 1
277 1 13 ILE MD 1 64 LYS HG3 . . 4.030 3.071 2.139 4.973 0.943 9 6 "[ ** .* +1* . - 2]" 1
278 1 13 ILE QG 1 14 PHE H . . 4.260 2.896 2.764 3.043 . 0 0 "[ . 1 . 2]" 1
279 1 13 ILE QG 1 14 PHE HB2 . . 5.500 3.393 3.260 3.510 . 0 0 "[ . 1 . 2]" 1
280 1 13 ILE QG 1 14 PHE QD . . 5.030 2.591 2.421 2.851 . 0 0 "[ . 1 . 2]" 1
281 1 13 ILE QG 1 62 TYR HA . . 3.930 3.046 2.619 3.247 . 0 0 "[ . 1 . 2]" 1
282 1 13 ILE QG 1 63 THR H . . 4.900 3.929 3.473 4.340 . 0 0 "[ . 1 . 2]" 1
283 1 13 ILE QG 1 63 THR HA . . 4.080 3.310 2.832 3.750 . 0 0 "[ . 1 . 2]" 1
284 1 13 ILE QG 1 64 LYS HG3 . . 5.500 3.399 2.471 5.191 . 0 0 "[ . 1 . 2]" 1
285 1 13 ILE MG 1 14 PHE H . . 5.500 4.271 4.185 4.416 . 0 0 "[ . 1 . 2]" 1
286 1 13 ILE MG 1 14 PHE QD . . 5.500 4.910 4.780 5.055 . 0 0 "[ . 1 . 2]" 1
287 1 13 ILE MG 1 14 PHE QE . . 5.150 4.763 4.474 5.062 . 0 0 "[ . 1 . 2]" 1
288 1 13 ILE MG 1 63 THR HA . . 3.910 3.856 3.749 3.929 0.019 2 0 "[ . 1 . 2]" 1
289 1 13 ILE MG 1 64 LYS H . . 4.000 3.721 3.587 3.833 . 0 0 "[ . 1 . 2]" 1
290 1 13 ILE MG 1 64 LYS QB . . 3.100 2.884 2.761 3.006 . 0 0 "[ . 1 . 2]" 1
291 1 13 ILE MG 1 64 LYS HD2 . . 3.620 2.378 1.865 3.487 . 0 0 "[ . 1 . 2]" 1
292 1 13 ILE MG 1 64 LYS HE2 . . 5.500 3.910 2.081 4.599 . 0 0 "[ . 1 . 2]" 1
293 1 13 ILE MG 1 64 LYS HE3 . . 4.620 3.659 2.095 4.618 . 0 0 "[ . 1 . 2]" 1
294 1 13 ILE MG 1 64 LYS HG3 . . 3.490 2.242 1.778 3.345 . 0 0 "[ . 1 . 2]" 1
295 1 14 PHE H 1 14 PHE HB2 . . 3.880 2.722 2.675 2.787 . 0 0 "[ . 1 . 2]" 1
296 1 14 PHE H 1 14 PHE QD . . 5.250 3.711 3.607 3.859 . 0 0 "[ . 1 . 2]" 1
297 1 14 PHE H 1 15 PRO HD3 . . 5.500 4.583 4.555 4.602 . 0 0 "[ . 1 . 2]" 1
298 1 14 PHE H 1 29 GLN HA . . 4.280 3.788 3.452 3.987 . 0 0 "[ . 1 . 2]" 1
299 1 14 PHE H 1 29 GLN HG3 . . 4.900 3.312 3.031 3.614 . 0 0 "[ . 1 . 2]" 1
300 1 14 PHE H 1 30 GLY H . . 4.760 4.746 4.583 4.780 0.020 19 0 "[ . 1 . 2]" 1
301 1 14 PHE H 1 62 TYR HA . . 4.130 4.139 4.114 4.156 0.026 18 0 "[ . 1 . 2]" 1
302 1 14 PHE H 1 62 TYR HB3 . . 4.980 4.382 4.042 4.529 . 0 0 "[ . 1 . 2]" 1
303 1 14 PHE H 1 63 THR HA . . 5.270 4.797 4.599 4.916 . 0 0 "[ . 1 . 2]" 1
304 1 14 PHE HA 1 14 PHE QD . . 3.690 2.235 2.048 2.398 . 0 0 "[ . 1 . 2]" 1
305 1 14 PHE HA 1 15 PRO HD2 . . 3.120 2.631 2.591 2.713 . 0 0 "[ . 1 . 2]" 1
306 1 14 PHE HA 1 15 PRO HD3 . . 2.940 1.964 1.949 2.000 . 0 0 "[ . 1 . 2]" 1
307 1 14 PHE HA 1 15 PRO HG2 . . 4.830 4.582 4.554 4.642 . 0 0 "[ . 1 . 2]" 1
308 1 14 PHE HA 1 29 GLN HA . . 4.490 4.333 4.116 4.487 . 0 0 "[ . 1 . 2]" 1
309 1 14 PHE HA 1 29 GLN HB2 . . 4.190 2.777 2.611 2.959 . 0 0 "[ . 1 . 2]" 1
310 1 14 PHE HA 1 29 GLN HB3 . . 5.500 4.323 4.087 4.554 . 0 0 "[ . 1 . 2]" 1
311 1 14 PHE HA 1 29 GLN HE21 . . 5.500 4.284 2.399 5.252 . 0 0 "[ . 1 . 2]" 1
312 1 14 PHE HA 1 29 GLN HE22 . . 5.500 4.767 4.051 5.358 . 0 0 "[ . 1 . 2]" 1
313 1 14 PHE HA 1 29 GLN HG2 . . 5.500 4.663 4.511 4.763 . 0 0 "[ . 1 . 2]" 1
314 1 14 PHE HA 1 29 GLN HG3 . . 4.000 3.118 2.963 3.211 . 0 0 "[ . 1 . 2]" 1
315 1 14 PHE HB2 1 15 PRO HD2 . . 3.930 3.892 3.828 3.932 0.002 6 0 "[ . 1 . 2]" 1
316 1 14 PHE HB2 1 62 TYR HA . . 4.460 3.347 3.191 3.483 . 0 0 "[ . 1 . 2]" 1
317 1 14 PHE HB2 1 62 TYR HB3 . . 5.500 4.001 3.746 4.181 . 0 0 "[ . 1 . 2]" 1
318 1 14 PHE HB2 1 62 TYR QD . . 4.530 3.435 3.124 3.840 . 0 0 "[ . 1 . 2]" 1
319 1 14 PHE HB2 1 62 TYR QE . . 5.500 3.982 3.713 4.349 . 0 0 "[ . 1 . 2]" 1
320 1 14 PHE HB3 1 15 PRO HD2 . . 3.250 2.390 2.266 2.466 . 0 0 "[ . 1 . 2]" 1
321 1 14 PHE HB3 1 15 PRO HD3 . . 3.970 3.390 3.307 3.451 . 0 0 "[ . 1 . 2]" 1
322 1 14 PHE HB3 1 15 PRO HG2 . . 5.500 4.563 4.415 4.642 . 0 0 "[ . 1 . 2]" 1
323 1 14 PHE HB3 1 62 TYR QE . . 5.500 4.058 3.504 4.710 . 0 0 "[ . 1 . 2]" 1
324 1 14 PHE QD 1 15 PRO HD2 . . 4.640 3.387 2.798 3.694 . 0 0 "[ . 1 . 2]" 1
325 1 14 PHE QD 1 15 PRO HD3 . . 4.830 3.282 2.906 3.570 . 0 0 "[ . 1 . 2]" 1
326 1 14 PHE QD 1 62 TYR HA . . 3.650 2.658 2.415 3.039 . 0 0 "[ . 1 . 2]" 1
327 1 14 PHE QD 1 62 TYR HB3 . . 5.500 4.720 4.279 5.091 . 0 0 "[ . 1 . 2]" 1
328 1 15 PRO HA 1 16 HIS H . . 3.000 2.264 2.213 2.331 . 0 0 "[ . 1 . 2]" 1
329 1 15 PRO HA 1 27 PHE H . . 5.390 5.251 5.000 5.389 . 0 0 "[ . 1 . 2]" 1
330 1 15 PRO HA 1 29 GLN HA . . 5.210 3.908 3.675 4.145 . 0 0 "[ . 1 . 2]" 1
331 1 15 PRO HB2 1 16 HIS H . . 3.970 3.190 2.988 3.364 . 0 0 "[ . 1 . 2]" 1
332 1 15 PRO HB2 1 29 GLN H . . 4.820 4.369 4.143 4.650 . 0 0 "[ . 1 . 2]" 1
333 1 15 PRO HB3 1 16 HIS H . . 4.330 3.665 3.544 3.773 . 0 0 "[ . 1 . 2]" 1
334 1 15 PRO HB3 1 28 ALA HA . . 3.280 3.033 2.900 3.228 . 0 0 "[ . 1 . 2]" 1
335 1 15 PRO HB3 1 29 GLN H . . 3.970 2.695 2.459 2.922 . 0 0 "[ . 1 . 2]" 1
336 1 15 PRO HD2 1 29 GLN HB2 . . 4.440 4.055 3.834 4.209 . 0 0 "[ . 1 . 2]" 1
337 1 15 PRO HD2 1 29 GLN HG3 . . 5.500 5.469 5.207 5.513 0.013 17 0 "[ . 1 . 2]" 1
338 1 15 PRO HD3 1 29 GLN H . . 5.240 4.203 3.988 4.477 . 0 0 "[ . 1 . 2]" 1
339 1 15 PRO HD3 1 29 GLN HB2 . . 3.630 2.502 2.324 2.654 . 0 0 "[ . 1 . 2]" 1
340 1 15 PRO HD3 1 29 GLN HB3 . . 4.300 3.750 3.400 3.984 . 0 0 "[ . 1 . 2]" 1
341 1 15 PRO HD3 1 29 GLN HG2 . . 5.500 5.153 4.869 5.360 . 0 0 "[ . 1 . 2]" 1
342 1 15 PRO HD3 1 29 GLN HG3 . . 5.500 4.067 3.725 4.181 . 0 0 "[ . 1 . 2]" 1
343 1 15 PRO HG2 1 16 HIS H . . 5.500 5.076 4.938 5.187 . 0 0 "[ . 1 . 2]" 1
344 1 15 PRO HG2 1 29 GLN H . . 5.500 5.225 5.044 5.441 . 0 0 "[ . 1 . 2]" 1
345 1 15 PRO HG3 1 28 ALA MB . . 5.300 5.305 5.288 5.315 0.015 18 0 "[ . 1 . 2]" 1
346 1 15 PRO HG3 1 29 GLN H . . 5.500 4.009 3.848 4.173 . 0 0 "[ . 1 . 2]" 1
347 1 16 HIS H 1 16 HIS HB3 . . 3.940 3.003 2.795 3.105 . 0 0 "[ . 1 . 2]" 1
348 1 16 HIS H 1 27 PHE H . . 3.650 3.611 3.355 3.667 0.017 15 0 "[ . 1 . 2]" 1
349 1 16 HIS HA 1 16 HIS HD2 . . 5.190 3.041 2.361 3.503 . 0 0 "[ . 1 . 2]" 1
350 1 16 HIS HA 1 17 THR H . . 3.220 2.292 2.193 2.595 . 0 0 "[ . 1 . 2]" 1
351 1 16 HIS HA 1 62 TYR QE . . 3.980 3.475 3.163 3.926 . 0 0 "[ . 1 . 2]" 1
352 1 16 HIS HB2 1 62 TYR QD . . 3.890 2.074 1.994 2.385 . 0 0 "[ . 1 . 2]" 1
353 1 16 HIS HB2 1 62 TYR QE . . 5.120 2.250 1.996 3.336 . 0 0 "[ . 1 . 2]" 1
354 1 16 HIS HB3 1 27 PHE H . . 5.500 4.562 3.629 5.178 . 0 0 "[ . 1 . 2]" 1
355 1 16 HIS HB3 1 27 PHE HZ . . 5.500 2.820 2.448 3.254 . 0 0 "[ . 1 . 2]" 1
356 1 16 HIS HB3 1 62 TYR QD . . 5.500 2.893 2.305 3.855 . 0 0 "[ . 1 . 2]" 1
357 1 16 HIS HB3 1 62 TYR QE . . 5.500 3.901 3.319 4.846 . 0 0 "[ . 1 . 2]" 1
358 1 16 HIS HD2 1 17 THR H . . 5.450 4.521 2.779 5.418 . 0 0 "[ . 1 . 2]" 1
359 1 16 HIS HD2 1 62 TYR QE . . 2.690 2.618 2.131 2.698 0.008 2 0 "[ . 1 . 2]" 1
360 1 16 HIS HE1 1 18 ALA HA . . 5.500 4.600 3.739 5.373 . 0 0 "[ . 1 . 2]" 1
361 1 16 HIS HE1 1 18 ALA MB . . 5.500 4.517 2.333 5.300 . 0 0 "[ . 1 . 2]" 1
362 1 16 HIS HE1 1 24 LEU HA . . 5.500 4.185 3.256 4.864 . 0 0 "[ . 1 . 2]" 1
363 1 16 HIS HE1 1 24 LEU HB2 . . 4.440 3.815 3.322 4.417 . 0 0 "[ . 1 . 2]" 1
364 1 16 HIS HE1 1 24 LEU HB3 . . 3.660 2.393 2.046 2.923 . 0 0 "[ . 1 . 2]" 1
365 1 16 HIS HE1 1 24 LEU QD . . 4.170 2.161 1.820 2.783 . 0 0 "[ . 1 . 2]" 1
366 1 16 HIS HE1 1 24 LEU HG . . 5.500 4.364 2.429 5.066 . 0 0 "[ . 1 . 2]" 1
367 1 16 HIS HE1 1 25 LEU H . . 5.060 4.435 2.393 5.061 0.001 15 0 "[ . 1 . 2]" 1
368 1 16 HIS HE1 1 58 PHE HA . . 4.390 4.203 3.506 4.390 0.000 6 0 "[ . 1 . 2]" 1
369 1 16 HIS HE1 1 59 PRO HD3 . . 5.500 3.791 3.034 4.369 . 0 0 "[ . 1 . 2]" 1
370 1 17 THR H 1 17 THR HB . . 3.710 2.429 2.191 2.809 . 0 0 "[ . 1 . 2]" 1
371 1 17 THR HA 1 17 THR MG . . 3.510 2.454 2.230 3.239 . 0 0 "[ . 1 . 2]" 1
372 1 17 THR HA 1 18 ALA H . . 2.990 2.244 2.157 2.388 . 0 0 "[ . 1 . 2]" 1
373 1 17 THR HA 1 18 ALA MB . . 4.230 3.899 3.808 3.972 . 0 0 "[ . 1 . 2]" 1
374 1 17 THR HA 1 19 GLY H . . 5.110 4.313 3.465 5.182 0.072 12 0 "[ . 1 . 2]" 1
375 1 17 THR HA 1 26 SER QB . . 3.040 2.847 2.661 3.007 . 0 0 "[ . 1 . 2]" 1
376 1 17 THR HA 1 27 PHE H . . 4.960 3.285 2.701 4.031 . 0 0 "[ . 1 . 2]" 1
377 1 17 THR HB 1 18 ALA H . . 4.200 4.143 3.803 4.222 0.022 8 0 "[ . 1 . 2]" 1
378 1 17 THR HB 1 19 GLY H . . 4.890 4.722 4.148 4.891 0.001 11 0 "[ . 1 . 2]" 1
379 1 17 THR MG 1 18 ALA H . . 4.120 2.531 2.089 3.949 . 0 0 "[ . 1 . 2]" 1
380 1 17 THR MG 1 19 GLY H . . 3.770 2.654 1.991 3.778 0.008 17 0 "[ . 1 . 2]" 1
381 1 17 THR MG 1 19 GLY HA2 . . 3.560 3.485 2.787 4.519 0.959 16 4 "[ .* 1 -.+ * 2]" 1
382 1 17 THR MG 1 19 GLY HA3 . . 4.890 3.528 2.621 4.511 . 0 0 "[ . 1 . 2]" 1
383 1 18 ALA H 1 18 ALA MB . . 3.430 2.174 1.990 2.570 . 0 0 "[ . 1 . 2]" 1
384 1 18 ALA H 1 19 GLY H . . 4.120 2.656 1.888 4.141 0.021 17 0 "[ . 1 . 2]" 1
385 1 18 ALA H 1 26 SER QB . . 4.050 2.231 1.886 3.033 . 0 0 "[ . 1 . 2]" 1
386 1 18 ALA HA 1 24 LEU HB2 . . 3.560 2.710 2.040 3.499 . 0 0 "[ . 1 . 2]" 1
387 1 18 ALA HA 1 24 LEU HB3 . . 4.190 3.534 2.649 4.116 . 0 0 "[ . 1 . 2]" 1
388 1 18 ALA HA 1 24 LEU QD . . 3.640 2.870 1.961 3.601 . 0 0 "[ . 1 . 2]" 1
389 1 18 ALA MB 1 19 GLY H . . 3.470 2.871 2.209 3.669 0.199 8 0 "[ . 1 . 2]" 1
390 1 18 ALA MB 1 21 ASN H . . 4.970 4.146 3.381 4.975 0.005 12 0 "[ . 1 . 2]" 1
391 1 18 ALA MB 1 24 LEU H . . 4.910 3.402 2.763 4.024 . 0 0 "[ . 1 . 2]" 1
392 1 18 ALA MB 1 24 LEU HA . . 5.500 3.942 3.387 4.340 . 0 0 "[ . 1 . 2]" 1
393 1 18 ALA MB 1 24 LEU HB2 . . 3.680 2.162 1.931 3.084 . 0 0 "[ . 1 . 2]" 1
394 1 18 ALA MB 1 24 LEU HB3 . . 3.460 2.981 1.914 3.592 0.132 13 0 "[ . 1 . 2]" 1
395 1 18 ALA MB 1 25 LEU HA . . 5.500 3.485 2.566 4.584 . 0 0 "[ . 1 . 2]" 1
396 1 18 ALA MB 1 26 SER H . . 4.800 3.459 2.686 4.425 . 0 0 "[ . 1 . 2]" 1
397 1 18 ALA MB 1 26 SER QB . . 3.710 2.383 2.022 3.306 . 0 0 "[ . 1 . 2]" 1
398 1 19 GLY H 1 21 ASN H . . 5.190 4.802 3.660 5.217 0.027 7 0 "[ . 1 . 2]" 1
399 1 19 GLY HA2 1 21 ASN H . . 5.210 4.913 4.295 5.752 0.542 9 1 "[ . +1 . 2]" 1
400 1 20 ASN H 1 21 ASN H . . 4.810 3.073 1.989 3.786 . 0 0 "[ . 1 . 2]" 1
401 1 20 ASN QB 1 21 ASN H . . 5.500 2.267 1.934 2.565 . 0 0 "[ . 1 . 2]" 1
402 1 20 ASN QB 1 21 ASN HA . . 3.620 3.527 3.444 3.603 . 0 0 "[ . 1 . 2]" 1
403 1 21 ASN H 1 21 ASN HB2 . . 3.730 2.347 2.067 2.862 . 0 0 "[ . 1 . 2]" 1
404 1 21 ASN H 1 21 ASN HB3 . . 3.740 3.485 3.101 3.756 0.016 7 0 "[ . 1 . 2]" 1
405 1 21 ASN H 1 22 LYS H . . 5.080 4.558 3.051 4.674 . 0 0 "[ . 1 . 2]" 1
406 1 21 ASN H 1 24 LEU QD . . 5.380 4.369 3.359 5.204 . 0 0 "[ . 1 . 2]" 1
407 1 21 ASN HB2 1 22 LYS H . . 5.500 3.944 2.829 4.509 . 0 0 "[ . 1 . 2]" 1
408 1 21 ASN HB2 1 23 THR H . . 5.460 4.598 3.385 5.547 0.087 10 0 "[ . 1 . 2]" 1
409 1 21 ASN HB2 1 24 LEU H . . 5.170 3.902 3.164 4.740 . 0 0 "[ . 1 . 2]" 1
410 1 21 ASN HB2 1 24 LEU HB2 . . 5.500 3.273 2.039 5.006 . 0 0 "[ . 1 . 2]" 1
411 1 21 ASN HB2 1 24 LEU QD . . 3.870 2.652 1.885 3.456 . 0 0 "[ . 1 . 2]" 1
412 1 21 ASN HB2 1 24 LEU HG . . 4.160 3.906 3.022 4.799 0.639 19 1 "[ . 1 . +2]" 1
413 1 21 ASN HB3 1 21 ASN HD22 . . 3.770 3.701 3.447 4.146 0.376 2 0 "[ . 1 . 2]" 1
414 1 21 ASN HB3 1 22 LYS H . . 5.500 2.845 2.081 3.697 . 0 0 "[ . 1 . 2]" 1
415 1 21 ASN HB3 1 24 LEU QD . . 4.360 2.706 1.935 3.178 . 0 0 "[ . 1 . 2]" 1
416 1 21 ASN HB3 1 24 LEU HG . . 5.500 3.054 2.517 4.665 . 0 0 "[ . 1 . 2]" 1
417 1 21 ASN HD21 1 24 LEU QD . . 5.220 2.362 1.767 3.370 . 0 0 "[ . 1 . 2]" 1
418 1 21 ASN HD22 1 24 LEU QD . . 4.820 2.921 2.168 3.843 . 0 0 "[ . 1 . 2]" 1
419 1 22 LYS H 1 22 LYS HB3 . . 3.760 3.336 2.489 4.075 0.315 11 0 "[ . 1 . 2]" 1
420 1 22 LYS H 1 22 LYS HD2 . . 5.180 4.549 2.282 5.986 0.806 12 3 "[ * . 1 + .- 2]" 1
421 1 22 LYS H 1 22 LYS HG3 . . 3.970 3.542 2.152 4.718 0.748 11 2 "[ - . 1+ . 2]" 1
422 1 22 LYS H 1 23 THR H . . 3.930 2.344 1.893 3.686 . 0 0 "[ . 1 . 2]" 1
423 1 22 LYS H 1 23 THR MG . . 5.110 3.051 2.227 4.892 . 0 0 "[ . 1 . 2]" 1
424 1 22 LYS H 1 24 LEU H . . 5.500 3.860 3.054 4.774 . 0 0 "[ . 1 . 2]" 1
425 1 22 LYS HA 1 22 LYS HD2 . . 4.320 4.176 2.712 5.305 0.985 15 3 "[ . 1 -+ * 2]" 1
426 1 22 LYS HA 1 22 LYS HG2 . . 3.670 2.990 1.999 4.179 0.509 4 1 "[ +. 1 . 2]" 1
427 1 22 LYS HA 1 23 THR MG . . 5.360 4.482 3.796 4.948 . 0 0 "[ . 1 . 2]" 1
428 1 22 LYS HA 1 24 LEU H . . 4.820 4.175 3.317 4.665 . 0 0 "[ . 1 . 2]" 1
429 1 22 LYS HB2 1 22 LYS HD2 . . 3.770 3.232 2.129 3.864 0.094 2 0 "[ . 1 . 2]" 1
430 1 22 LYS HB2 1 23 THR H . . 4.990 3.628 2.373 4.579 . 0 0 "[ . 1 . 2]" 1
431 1 22 LYS HB3 1 22 LYS HD2 . . 3.610 3.100 2.050 4.114 0.504 15 1 "[ . 1 + 2]" 1
432 1 22 LYS HB3 1 23 THR H . . 4.980 3.919 2.726 4.711 . 0 0 "[ . 1 . 2]" 1
433 1 22 LYS HG3 1 23 THR H . . 5.370 4.421 2.081 5.951 0.581 2 1 "[ + . 1 . 2]" 1
434 1 23 THR H 1 23 THR MG . . 3.800 2.173 1.895 2.570 . 0 0 "[ . 1 . 2]" 1
435 1 23 THR H 1 24 LEU H . . 3.480 2.582 1.903 3.469 . 0 0 "[ . 1 . 2]" 1
436 1 23 THR H 1 24 LEU QD . . 5.500 4.285 2.605 4.841 . 0 0 "[ . 1 . 2]" 1
437 1 23 THR H 1 24 LEU HG . . 5.200 4.030 3.276 5.214 0.014 12 0 "[ . 1 . 2]" 1
438 1 23 THR HA 1 23 THR HB . . 2.480 2.430 2.347 2.512 0.032 20 0 "[ . 1 . 2]" 1
439 1 23 THR HA 1 23 THR MG . . 3.580 2.724 2.415 3.234 . 0 0 "[ . 1 . 2]" 1
440 1 23 THR HA 1 57 TRP HD1 . . 5.500 3.438 2.067 4.617 . 0 0 "[ . 1 . 2]" 1
441 1 23 THR HB 1 24 LEU H . . 5.140 4.085 3.553 4.629 . 0 0 "[ . 1 . 2]" 1
442 1 23 THR HB 1 57 TRP HD1 . . 3.640 3.354 2.653 3.650 0.010 13 0 "[ . 1 . 2]" 1
443 1 23 THR MG 1 24 LEU H . . 4.470 3.317 1.863 4.346 . 0 0 "[ . 1 . 2]" 1
444 1 23 THR MG 1 24 LEU HG . . 4.390 3.823 2.005 4.417 0.027 11 0 "[ . 1 . 2]" 1
445 1 23 THR MG 1 57 TRP HD1 . . 4.560 4.325 3.561 4.588 0.028 18 0 "[ . 1 . 2]" 1
446 1 24 LEU H 1 24 LEU HB2 . . 3.500 2.624 2.436 2.932 . 0 0 "[ . 1 . 2]" 1
447 1 24 LEU H 1 24 LEU HB3 . . 4.150 3.631 3.521 3.919 . 0 0 "[ . 1 . 2]" 1
448 1 24 LEU H 1 24 LEU QD . . 4.530 3.074 1.730 3.734 . 0 0 "[ . 1 . 2]" 1
449 1 24 LEU H 1 24 LEU HG . . 3.770 2.419 1.943 3.575 . 0 0 "[ . 1 . 2]" 1
450 1 24 LEU H 1 25 LEU H . . 5.200 4.534 4.219 4.668 . 0 0 "[ . 1 . 2]" 1
451 1 24 LEU H 1 57 TRP H . . 5.440 4.339 3.267 4.669 . 0 0 "[ . 1 . 2]" 1
452 1 24 LEU HA 1 24 LEU QD . . 3.320 2.273 2.011 2.555 . 0 0 "[ . 1 . 2]" 1
453 1 24 LEU HA 1 25 LEU H . . 3.210 2.281 2.179 2.445 . 0 0 "[ . 1 . 2]" 1
454 1 24 LEU HA 1 56 GLY HA3 . . 4.760 4.036 3.687 4.381 . 0 0 "[ . 1 . 2]" 1
455 1 24 LEU HA 1 57 TRP H . . 3.500 2.462 1.937 2.867 . 0 0 "[ . 1 . 2]" 1
456 1 24 LEU HA 1 57 TRP HB2 . . 4.500 3.228 2.634 3.725 . 0 0 "[ . 1 . 2]" 1
457 1 24 LEU HB2 1 25 LEU H . . 4.840 3.974 3.569 4.414 . 0 0 "[ . 1 . 2]" 1
458 1 24 LEU HB3 1 24 LEU HG . . 2.990 2.985 2.272 3.032 0.042 10 0 "[ . 1 . 2]" 1
459 1 24 LEU HB3 1 25 LEU H . . 3.960 3.042 2.566 3.752 . 0 0 "[ . 1 . 2]" 1
460 1 24 LEU QD 1 25 LEU H . . 5.500 3.605 3.291 3.904 . 0 0 "[ . 1 . 2]" 1
461 1 24 LEU QD 1 44 TRP HH2 . . 4.660 2.579 2.037 3.583 . 0 0 "[ . 1 . 2]" 1
462 1 24 LEU QD 1 44 TRP HZ3 . . 3.800 2.172 1.847 2.698 . 0 0 "[ . 1 . 2]" 1
463 1 24 LEU QD 1 57 TRP H . . 5.010 3.801 3.399 4.136 . 0 0 "[ . 1 . 2]" 1
464 1 24 LEU QD 1 57 TRP HB2 . . 3.770 3.070 2.638 3.512 . 0 0 "[ . 1 . 2]" 1
465 1 24 LEU QD 1 57 TRP HB3 . . 4.320 3.706 3.183 3.973 . 0 0 "[ . 1 . 2]" 1
466 1 24 LEU QD 1 57 TRP HD1 . . 5.500 4.904 4.604 5.273 . 0 0 "[ . 1 . 2]" 1
467 1 24 LEU QD 1 58 PHE HA . . 5.170 3.585 3.079 3.897 . 0 0 "[ . 1 . 2]" 1
468 1 25 LEU H 1 25 LEU HB2 . . 3.680 2.411 2.194 2.615 . 0 0 "[ . 1 . 2]" 1
469 1 25 LEU H 1 25 LEU HB3 . . 3.650 2.707 2.577 2.800 . 0 0 "[ . 1 . 2]" 1
470 1 25 LEU H 1 56 GLY HA3 . . 4.540 3.253 2.770 3.713 . 0 0 "[ . 1 . 2]" 1
471 1 25 LEU H 1 57 TRP H . . 4.020 2.929 2.525 3.401 . 0 0 "[ . 1 . 2]" 1
472 1 25 LEU H 1 58 PHE HB3 . . 5.050 3.729 3.376 4.035 . 0 0 "[ . 1 . 2]" 1
473 1 25 LEU H 1 58 PHE QD . . 5.390 4.533 3.849 5.025 . 0 0 "[ . 1 . 2]" 1
474 1 25 LEU HA 1 25 LEU QD . . 3.350 1.974 1.757 2.130 . 0 0 "[ . 1 . 2]" 1
475 1 25 LEU HA 1 26 SER H . . 3.170 2.314 2.177 3.029 . 0 0 "[ . 1 . 2]" 1
476 1 25 LEU HA 1 56 GLY HA3 . . 4.280 2.865 2.294 3.202 . 0 0 "[ . 1 . 2]" 1
477 1 25 LEU HB2 1 56 GLY H . . 4.790 2.861 2.490 3.162 . 0 0 "[ . 1 . 2]" 1
478 1 25 LEU HB2 1 56 GLY HA2 . . 3.660 3.628 3.515 3.688 0.028 16 0 "[ . 1 . 2]" 1
479 1 25 LEU HB2 1 56 GLY HA3 . . 3.950 1.988 1.977 1.997 . 0 0 "[ . 1 . 2]" 1
480 1 25 LEU HB2 1 57 TRP H . . 4.500 3.229 3.034 3.488 . 0 0 "[ . 1 . 2]" 1
481 1 25 LEU HB2 1 58 PHE QD . . 4.490 3.435 2.730 3.855 . 0 0 "[ . 1 . 2]" 1
482 1 25 LEU HB3 1 26 SER H . . 5.190 3.792 2.207 4.382 . 0 0 "[ . 1 . 2]" 1
483 1 25 LEU HB3 1 56 GLY HA2 . . 5.500 5.362 5.206 5.433 . 0 0 "[ . 1 . 2]" 1
484 1 25 LEU HB3 1 56 GLY HA3 . . 5.500 3.673 3.513 3.722 . 0 0 "[ . 1 . 2]" 1
485 1 25 LEU HB3 1 58 PHE HB2 . . 5.500 4.842 4.365 5.521 0.021 19 0 "[ . 1 . 2]" 1
486 1 25 LEU HB3 1 58 PHE HB3 . . 4.840 3.295 2.948 3.935 . 0 0 "[ . 1 . 2]" 1
487 1 25 LEU HB3 1 58 PHE QD . . 3.840 3.459 2.593 3.844 0.004 10 0 "[ . 1 . 2]" 1
488 1 25 LEU QD 1 26 SER H . . 3.730 2.817 1.653 3.340 . 0 0 "[ . 1 . 2]" 1
489 1 25 LEU QD 1 26 SER QB . . 5.500 4.486 3.239 4.897 . 0 0 "[ . 1 . 2]" 1
490 1 25 LEU QD 1 33 LEU QD . . 3.320 1.890 1.718 2.180 . 0 0 "[ . 1 . 2]" 1
491 1 25 LEU QD 1 48 GLU HA . . 4.330 3.349 2.923 3.983 . 0 0 "[ . 1 . 2]" 1
492 1 25 LEU QD 1 49 HIS H . . 4.470 2.976 2.655 3.544 . 0 0 "[ . 1 . 2]" 1
493 1 25 LEU QD 1 49 HIS HA . . 4.270 3.109 2.758 3.619 . 0 0 "[ . 1 . 2]" 1
494 1 25 LEU QD 1 49 HIS HB2 . . 3.740 2.012 1.801 2.190 . 0 0 "[ . 1 . 2]" 1
495 1 25 LEU QD 1 49 HIS HB3 . . 4.200 3.229 2.912 3.363 . 0 0 "[ . 1 . 2]" 1
496 1 25 LEU QD 1 49 HIS HD2 . . 4.760 2.582 1.888 3.067 . 0 0 "[ . 1 . 2]" 1
497 1 25 LEU QD 1 54 ALA H . . 5.070 4.043 3.791 4.221 . 0 0 "[ . 1 . 2]" 1
498 1 25 LEU QD 1 54 ALA HA . . 5.500 4.459 4.259 4.588 . 0 0 "[ . 1 . 2]" 1
499 1 25 LEU QD 1 54 ALA MB . . 3.010 2.891 2.480 3.000 . 0 0 "[ . 1 . 2]" 1
500 1 25 LEU QD 1 55 ARG H . . 3.730 3.637 3.505 3.700 . 0 0 "[ . 1 . 2]" 1
501 1 25 LEU QD 1 55 ARG HA . . 4.000 2.276 1.935 3.034 . 0 0 "[ . 1 . 2]" 1
502 1 25 LEU QD 1 56 GLY H . . 4.520 2.037 1.793 2.978 . 0 0 "[ . 1 . 2]" 1
503 1 25 LEU QD 1 56 GLY HA2 . . 5.500 3.087 2.963 3.810 . 0 0 "[ . 1 . 2]" 1
504 1 25 LEU QD 1 56 GLY HA3 . . 4.140 2.043 1.927 2.928 . 0 0 "[ . 1 . 2]" 1
505 1 25 LEU QD 1 58 PHE QD . . 3.670 2.948 2.606 3.608 . 0 0 "[ . 1 . 2]" 1
506 1 25 LEU QD 1 58 PHE QE . . 4.150 3.728 3.329 4.052 . 0 0 "[ . 1 . 2]" 1
507 1 25 LEU HG 1 26 SER H . . 4.400 2.990 2.082 3.682 . 0 0 "[ . 1 . 2]" 1
508 1 25 LEU HG 1 27 PHE QD . . 5.500 3.109 2.464 4.748 . 0 0 "[ . 1 . 2]" 1
509 1 25 LEU HG 1 33 LEU QD . . 5.500 3.532 3.186 4.047 . 0 0 "[ . 1 . 2]" 1
510 1 26 SER H 1 26 SER QB . . 3.670 2.645 2.037 3.271 . 0 0 "[ . 1 . 2]" 1
511 1 26 SER QB 1 27 PHE H . . 4.020 3.381 3.277 3.411 . 0 0 "[ . 1 . 2]" 1
512 1 27 PHE HA 1 28 ALA H . . 3.220 2.575 2.388 2.706 . 0 0 "[ . 1 . 2]" 1
513 1 27 PHE HA 1 28 ALA MB . . 4.370 3.843 3.794 3.922 . 0 0 "[ . 1 . 2]" 1
514 1 27 PHE HA 1 49 HIS HD2 . . 4.210 3.725 2.787 4.204 . 0 0 "[ . 1 . 2]" 1
515 1 27 PHE HB2 1 28 ALA H . . 3.540 2.321 2.060 2.740 . 0 0 "[ . 1 . 2]" 1
516 1 27 PHE HB2 1 28 ALA MB . . 5.240 4.322 4.185 4.521 . 0 0 "[ . 1 . 2]" 1
517 1 27 PHE HB2 1 31 ASP H . . 5.320 4.464 4.288 4.600 . 0 0 "[ . 1 . 2]" 1
518 1 27 PHE HB2 1 31 ASP HB2 . . 3.910 2.465 2.171 2.700 . 0 0 "[ . 1 . 2]" 1
519 1 27 PHE HB2 1 31 ASP HB3 . . 4.450 3.111 2.853 3.347 . 0 0 "[ . 1 . 2]" 1
520 1 27 PHE HB2 1 33 LEU QD . . 4.290 3.128 2.545 3.602 . 0 0 "[ . 1 . 2]" 1
521 1 27 PHE HB2 1 49 HIS HD2 . . 3.880 3.747 3.438 3.874 . 0 0 "[ . 1 . 2]" 1
522 1 27 PHE HB3 1 28 ALA H . . 3.950 3.685 3.540 3.866 . 0 0 "[ . 1 . 2]" 1
523 1 27 PHE HB3 1 31 ASP HB2 . . 4.430 3.955 3.695 4.144 . 0 0 "[ . 1 . 2]" 1
524 1 27 PHE HB3 1 33 LEU QD . . 4.460 2.722 1.991 3.170 . 0 0 "[ . 1 . 2]" 1
525 1 27 PHE HB3 1 49 HIS HD2 . . 3.600 2.183 1.998 2.338 . 0 0 "[ . 1 . 2]" 1
526 1 27 PHE QE 1 58 PHE HB2 . . 4.190 3.067 2.686 3.459 . 0 0 "[ . 1 . 2]" 1
527 1 27 PHE QE 1 58 PHE HB3 . . 4.080 2.437 2.163 2.728 . 0 0 "[ . 1 . 2]" 1
528 1 27 PHE QE 1 62 TYR HB3 . . 4.780 3.686 2.870 4.031 . 0 0 "[ . 1 . 2]" 1
529 1 27 PHE QE 1 63 THR MG . . 3.920 3.662 3.375 3.836 . 0 0 "[ . 1 . 2]" 1
530 1 27 PHE HZ 1 33 LEU QD . . 5.500 3.874 3.516 4.220 . 0 0 "[ . 1 . 2]" 1
531 1 27 PHE HZ 1 58 PHE HB2 . . 4.010 3.078 2.546 3.486 . 0 0 "[ . 1 . 2]" 1
532 1 27 PHE HZ 1 58 PHE HB3 . . 4.250 3.741 3.299 4.184 . 0 0 "[ . 1 . 2]" 1
533 1 27 PHE HZ 1 59 PRO HD2 . . 4.850 3.482 3.055 3.911 . 0 0 "[ . 1 . 2]" 1
534 1 27 PHE HZ 1 62 TYR HB2 . . 4.190 4.050 3.271 4.207 0.017 12 0 "[ . 1 . 2]" 1
535 1 27 PHE HZ 1 62 TYR HB3 . . 4.080 3.039 2.373 3.441 . 0 0 "[ . 1 . 2]" 1
536 1 27 PHE HZ 1 62 TYR QD . . 3.980 3.272 2.389 3.855 . 0 0 "[ . 1 . 2]" 1
537 1 27 PHE HZ 1 63 THR MG . . 3.870 3.388 3.232 3.605 . 0 0 "[ . 1 . 2]" 1
538 1 28 ALA H 1 28 ALA MB . . 2.830 2.420 2.250 2.501 . 0 0 "[ . 1 . 2]" 1
539 1 28 ALA H 1 31 ASP HB2 . . 4.490 3.145 2.607 3.452 . 0 0 "[ . 1 . 2]" 1
540 1 28 ALA H 1 31 ASP HB3 . . 5.400 3.968 3.582 4.189 . 0 0 "[ . 1 . 2]" 1
541 1 28 ALA H 1 33 LEU QD . . 5.500 4.877 4.441 5.184 . 0 0 "[ . 1 . 2]" 1
542 1 28 ALA H 1 49 HIS HD2 . . 5.500 5.440 4.639 5.521 0.021 14 0 "[ . 1 . 2]" 1
543 1 28 ALA HA 1 29 GLN H . . 3.310 2.344 2.253 2.541 . 0 0 "[ . 1 . 2]" 1
544 1 28 ALA MB 1 29 GLN H . . 3.180 2.798 2.415 3.003 . 0 0 "[ . 1 . 2]" 1
545 1 28 ALA MB 1 29 GLN HA . . 4.870 4.487 4.300 4.602 . 0 0 "[ . 1 . 2]" 1
546 1 28 ALA MB 1 31 ASP H . . 5.380 3.855 3.576 4.016 . 0 0 "[ . 1 . 2]" 1
547 1 29 GLN H 1 29 GLN HB2 . . 3.480 2.477 2.396 2.684 . 0 0 "[ . 1 . 2]" 1
548 1 29 GLN H 1 29 GLN HB3 . . 3.240 2.490 2.320 2.576 . 0 0 "[ . 1 . 2]" 1
549 1 29 GLN H 1 29 GLN HG2 . . 4.580 4.382 4.286 4.414 . 0 0 "[ . 1 . 2]" 1
550 1 29 GLN HA 1 29 GLN HG2 . . 3.830 2.952 2.730 3.217 . 0 0 "[ . 1 . 2]" 1
551 1 29 GLN HA 1 29 GLN HG3 . . 3.160 2.755 2.654 2.973 . 0 0 "[ . 1 . 2]" 1
552 1 29 GLN HA 1 30 GLY H . . 2.840 2.225 2.202 2.264 . 0 0 "[ . 1 . 2]" 1
553 1 29 GLN HA 1 31 ASP H . . 4.220 3.623 3.486 3.785 . 0 0 "[ . 1 . 2]" 1
554 1 29 GLN HB2 1 29 GLN HE22 . . 5.500 4.638 3.879 4.905 . 0 0 "[ . 1 . 2]" 1
555 1 29 GLN HB2 1 29 GLN HG3 . . 2.890 2.402 2.312 2.495 . 0 0 "[ . 1 . 2]" 1
556 1 29 GLN HB2 1 30 GLY H . . 4.340 4.270 4.150 4.364 0.024 17 0 "[ . 1 . 2]" 1
557 1 29 GLN HB3 1 29 GLN HG2 . . 2.730 2.622 2.513 2.753 0.023 20 0 "[ . 1 . 2]" 1
558 1 29 GLN HB3 1 30 GLY H . . 5.500 4.313 4.165 4.486 . 0 0 "[ . 1 . 2]" 1
559 1 29 GLN HB3 1 30 GLY HA3 . . 5.500 4.891 4.793 5.045 . 0 0 "[ . 1 . 2]" 1
560 1 29 GLN HE22 1 29 GLN HG2 . . 4.120 3.728 3.515 4.153 0.033 14 0 "[ . 1 . 2]" 1
561 1 29 GLN HG2 1 30 GLY H . . 4.190 2.843 2.387 3.485 . 0 0 "[ . 1 . 2]" 1
562 1 29 GLN HG2 1 30 GLY HA2 . . 5.500 3.498 3.328 3.770 . 0 0 "[ . 1 . 2]" 1
563 1 29 GLN HG2 1 30 GLY HA3 . . 4.100 3.656 3.500 3.814 . 0 0 "[ . 1 . 2]" 1
564 1 29 GLN HG2 1 31 ASP H . . 5.500 4.937 4.666 5.271 . 0 0 "[ . 1 . 2]" 1
565 1 29 GLN HG3 1 30 GLY H . . 4.080 3.352 3.052 3.887 . 0 0 "[ . 1 . 2]" 1
566 1 29 GLN HG3 1 30 GLY HA3 . . 5.500 5.138 4.884 5.468 . 0 0 "[ . 1 . 2]" 1
567 1 30 GLY H 1 31 ASP H . . 3.620 2.768 2.470 2.955 . 0 0 "[ . 1 . 2]" 1
568 1 31 ASP H 1 31 ASP HB2 . . 3.470 2.415 2.346 2.511 . 0 0 "[ . 1 . 2]" 1
569 1 31 ASP H 1 31 ASP HB3 . . 3.840 3.546 3.531 3.571 . 0 0 "[ . 1 . 2]" 1
570 1 31 ASP HA 1 32 VAL H . . 2.930 2.418 2.392 2.443 . 0 0 "[ . 1 . 2]" 1
571 1 31 ASP HA 1 32 VAL MG2 . . 3.680 3.544 3.366 3.678 . 0 0 "[ . 1 . 2]" 1
572 1 31 ASP HB2 1 32 VAL H . . 3.970 3.963 3.917 3.985 0.015 17 0 "[ . 1 . 2]" 1
573 1 31 ASP HB2 1 33 LEU QD . . 4.740 3.409 3.012 3.592 . 0 0 "[ . 1 . 2]" 1
574 1 31 ASP HB3 1 32 VAL H . . 3.460 2.740 2.685 2.810 . 0 0 "[ . 1 . 2]" 1
575 1 31 ASP HB3 1 33 LEU QD . . 4.320 3.050 2.566 3.473 . 0 0 "[ . 1 . 2]" 1
576 1 32 VAL H 1 32 VAL HB . . 3.190 2.443 2.392 2.511 . 0 0 "[ . 1 . 2]" 1
577 1 32 VAL H 1 32 VAL MG1 . . 4.170 3.741 3.707 3.785 . 0 0 "[ . 1 . 2]" 1
578 1 32 VAL H 1 32 VAL MG2 . . 3.330 2.826 2.710 2.957 . 0 0 "[ . 1 . 2]" 1
579 1 32 VAL H 1 33 LEU H . . 4.740 4.446 4.427 4.463 . 0 0 "[ . 1 . 2]" 1
580 1 32 VAL H 1 33 LEU QD . . 4.950 4.004 3.609 4.421 . 0 0 "[ . 1 . 2]" 1
581 1 32 VAL H 1 50 ASP H . . 5.500 4.308 4.151 4.433 . 0 0 "[ . 1 . 2]" 1
582 1 32 VAL HA 1 32 VAL MG1 . . 3.190 2.451 2.367 2.505 . 0 0 "[ . 1 . 2]" 1
583 1 32 VAL HA 1 32 VAL MG2 . . 3.100 2.319 2.194 2.401 . 0 0 "[ . 1 . 2]" 1
584 1 32 VAL HA 1 33 LEU H . . 3.010 2.224 2.221 2.227 . 0 0 "[ . 1 . 2]" 1
585 1 32 VAL HB 1 33 LEU H . . 4.940 4.257 4.209 4.289 . 0 0 "[ . 1 . 2]" 1
586 1 32 VAL HB 1 50 ASP HB2 . . 3.840 3.662 3.396 3.964 0.124 18 0 "[ . 1 . 2]" 1
587 1 32 VAL HB 1 50 ASP HB3 . . 4.110 4.044 3.856 4.130 0.020 15 0 "[ . 1 . 2]" 1
588 1 32 VAL MG1 1 33 LEU H . . 3.110 2.321 2.289 2.383 . 0 0 "[ . 1 . 2]" 1
589 1 32 VAL MG1 1 50 ASP H . . 5.500 5.140 4.904 5.276 . 0 0 "[ . 1 . 2]" 1
590 1 32 VAL MG1 1 50 ASP HB2 . . 4.560 3.801 3.460 4.064 . 0 0 "[ . 1 . 2]" 1
591 1 32 VAL MG1 1 50 ASP HB3 . . 5.240 4.758 4.499 4.948 . 0 0 "[ . 1 . 2]" 1
592 1 33 LEU H 1 33 LEU HB2 . . 4.180 2.905 2.862 3.030 . 0 0 "[ . 1 . 2]" 1
593 1 33 LEU H 1 33 LEU QD . . 4.460 3.136 2.803 3.250 . 0 0 "[ . 1 . 2]" 1
594 1 33 LEU H 1 33 LEU HG . . 3.520 2.462 2.228 2.653 . 0 0 "[ . 1 . 2]" 1
595 1 33 LEU H 1 34 THR HA . . 5.470 4.806 4.794 4.821 . 0 0 "[ . 1 . 2]" 1
596 1 33 LEU HA 1 33 LEU QD . . 3.410 2.683 2.495 3.066 . 0 0 "[ . 1 . 2]" 1
597 1 33 LEU HA 1 33 LEU HG . . 4.050 3.102 2.875 3.341 . 0 0 "[ . 1 . 2]" 1
598 1 33 LEU HA 1 34 THR H . . 3.390 2.262 2.240 2.287 . 0 0 "[ . 1 . 2]" 1
599 1 33 LEU HA 1 34 THR HB . . 5.470 4.525 4.426 4.622 . 0 0 "[ . 1 . 2]" 1
600 1 33 LEU HA 1 49 HIS HA . . 3.110 2.948 2.624 3.019 . 0 0 "[ . 1 . 2]" 1
601 1 33 LEU HA 1 50 ASP H . . 3.440 3.470 3.455 3.493 0.053 19 0 "[ . 1 . 2]" 1
602 1 33 LEU HA 1 50 ASP HB3 . . 5.500 5.174 4.887 5.308 . 0 0 "[ . 1 . 2]" 1
603 1 33 LEU HB2 1 34 THR H . . 4.180 3.772 3.619 3.862 . 0 0 "[ . 1 . 2]" 1
604 1 33 LEU HB3 1 34 THR H . . 3.960 3.111 3.013 3.194 . 0 0 "[ . 1 . 2]" 1
605 1 33 LEU HB3 1 34 THR HA . . 5.500 5.146 5.084 5.262 . 0 0 "[ . 1 . 2]" 1
606 1 33 LEU HB3 1 48 GLU H . . 5.500 3.621 3.414 3.876 . 0 0 "[ . 1 . 2]" 1
607 1 33 LEU HB3 1 49 HIS HA . . 4.230 3.208 2.974 3.415 . 0 0 "[ . 1 . 2]" 1
608 1 33 LEU HB3 1 50 ASP H . . 5.500 4.838 4.650 5.048 . 0 0 "[ . 1 . 2]" 1
609 1 33 LEU QD 1 34 THR H . . 5.060 4.074 3.981 4.254 . 0 0 "[ . 1 . 2]" 1
610 1 33 LEU QD 1 49 HIS H . . 5.440 3.998 3.762 4.299 . 0 0 "[ . 1 . 2]" 1
611 1 33 LEU QD 1 49 HIS HA . . 3.060 2.140 1.963 2.429 . 0 0 "[ . 1 . 2]" 1
612 1 33 LEU QD 1 49 HIS HB2 . . 5.270 2.992 2.647 3.441 . 0 0 "[ . 1 . 2]" 1
613 1 33 LEU QD 1 49 HIS HD2 . . 3.760 2.826 1.961 3.194 . 0 0 "[ . 1 . 2]" 1
614 1 33 LEU QD 1 50 ASP H . . 4.070 3.046 2.748 3.590 . 0 0 "[ . 1 . 2]" 1
615 1 33 LEU QD 1 58 PHE QD . . 4.680 3.110 2.684 3.319 . 0 0 "[ . 1 . 2]" 1
616 1 33 LEU QD 1 58 PHE QE . . 4.390 3.199 2.730 3.419 . 0 0 "[ . 1 . 2]" 1
617 1 33 LEU QD 1 58 PHE HZ . . 4.700 3.813 3.414 4.045 . 0 0 "[ . 1 . 2]" 1
618 1 34 THR H 1 34 THR HB . . 3.520 2.372 2.298 2.444 . 0 0 "[ . 1 . 2]" 1
619 1 34 THR H 1 34 THR MG . . 4.670 3.734 3.710 3.750 . 0 0 "[ . 1 . 2]" 1
620 1 34 THR H 1 48 GLU H . . 3.750 2.430 2.330 2.690 . 0 0 "[ . 1 . 2]" 1
621 1 34 THR H 1 48 GLU HB3 . . 4.950 3.219 3.059 3.331 . 0 0 "[ . 1 . 2]" 1
622 1 34 THR H 1 49 HIS HA . . 5.080 4.067 3.808 4.194 . 0 0 "[ . 1 . 2]" 1
623 1 34 THR H 1 50 ASP H . . 5.330 4.899 4.773 5.022 . 0 0 "[ . 1 . 2]" 1
624 1 34 THR HA 1 34 THR MG . . 3.350 2.397 2.343 2.457 . 0 0 "[ . 1 . 2]" 1
625 1 34 THR HA 1 35 LEU H . . 3.060 2.155 2.154 2.156 . 0 0 "[ . 1 . 2]" 1
626 1 34 THR HA 1 35 LEU HG . . 4.760 4.463 3.886 4.556 . 0 0 "[ . 1 . 2]" 1
627 1 34 THR HB 1 35 LEU H . . 5.190 4.392 4.338 4.442 . 0 0 "[ . 1 . 2]" 1
628 1 34 THR HB 1 36 LEU MD2 . . 4.390 3.477 3.131 3.689 . 0 0 "[ . 1 . 2]" 1
629 1 34 THR HB 1 48 GLU H . . 4.110 2.912 2.846 3.005 . 0 0 "[ . 1 . 2]" 1
630 1 34 THR HB 1 48 GLU HB2 . . 3.850 3.808 3.553 3.866 0.016 20 0 "[ . 1 . 2]" 1
631 1 34 THR HB 1 48 GLU HB3 . . 3.430 2.365 2.221 2.612 . 0 0 "[ . 1 . 2]" 1
632 1 34 THR HB 1 48 GLU HG2 . . 5.340 4.509 4.300 4.895 . 0 0 "[ . 1 . 2]" 1
633 1 34 THR MG 1 35 LEU H . . 3.990 2.688 2.673 2.718 . 0 0 "[ . 1 . 2]" 1
634 1 34 THR MG 1 35 LEU HA . . 5.500 4.300 4.200 4.388 . 0 0 "[ . 1 . 2]" 1
635 1 34 THR MG 1 36 LEU MD2 . . 2.920 2.745 2.137 2.930 0.010 4 0 "[ . 1 . 2]" 1
636 1 34 THR MG 1 48 GLU H . . 5.500 3.983 3.823 4.098 . 0 0 "[ . 1 . 2]" 1
637 1 35 LEU H 1 35 LEU HB2 . . 3.630 2.285 2.257 2.434 . 0 0 "[ . 1 . 2]" 1
638 1 35 LEU H 1 35 LEU HB3 . . 3.900 3.515 3.502 3.564 . 0 0 "[ . 1 . 2]" 1
639 1 35 LEU H 1 35 LEU MD1 . . 3.990 2.684 2.511 3.776 . 0 0 "[ . 1 . 2]" 1
640 1 35 LEU H 1 35 LEU MD2 . . 5.500 4.116 3.196 4.180 . 0 0 "[ . 1 . 2]" 1
641 1 35 LEU H 1 35 LEU HG . . 3.530 2.965 2.382 3.022 . 0 0 "[ . 1 . 2]" 1
642 1 35 LEU HA 1 35 LEU MD2 . . 3.180 3.012 1.963 3.116 . 0 0 "[ . 1 . 2]" 1
643 1 35 LEU HA 1 36 LEU H . . 3.120 2.305 2.256 2.340 . 0 0 "[ . 1 . 2]" 1
644 1 35 LEU HA 1 36 LEU HA . . 4.320 4.379 4.360 4.443 0.123 16 0 "[ . 1 . 2]" 1
645 1 35 LEU HA 1 37 ILE H . . 4.290 4.125 3.748 4.295 0.005 19 0 "[ . 1 . 2]" 1
646 1 35 LEU HA 1 46 TYR QD . . 5.500 5.386 4.799 5.530 0.030 19 0 "[ . 1 . 2]" 1
647 1 35 LEU HA 1 47 GLY HA3 . . 3.970 2.602 2.332 2.729 . 0 0 "[ . 1 . 2]" 1
648 1 35 LEU HA 1 58 PHE HZ . . 5.500 3.988 3.652 4.727 . 0 0 "[ . 1 . 2]" 1
649 1 35 LEU HB2 1 35 LEU MD1 . . 3.330 1.971 1.915 2.462 . 0 0 "[ . 1 . 2]" 1
650 1 35 LEU HB2 1 36 LEU H . . 5.260 4.087 3.983 4.204 . 0 0 "[ . 1 . 2]" 1
651 1 35 LEU HB2 1 37 ILE H . . 5.500 5.262 4.213 5.506 0.006 9 0 "[ . 1 . 2]" 1
652 1 35 LEU HB3 1 35 LEU MD2 . . 3.140 2.086 2.028 2.442 . 0 0 "[ . 1 . 2]" 1
653 1 35 LEU HB3 1 36 LEU H . . 4.970 2.909 2.808 3.072 . 0 0 "[ . 1 . 2]" 1
654 1 35 LEU HB3 1 37 ILE H . . 4.620 3.747 2.972 4.009 . 0 0 "[ . 1 . 2]" 1
655 1 35 LEU MD1 1 47 GLY HA3 . . 4.920 4.949 4.930 5.033 0.113 19 0 "[ . 1 . 2]" 1
656 1 35 LEU MD2 1 36 LEU H . . 4.480 3.725 3.392 3.827 . 0 0 "[ . 1 . 2]" 1
657 1 35 LEU MD2 1 47 GLY H . . 5.470 5.397 4.095 5.487 0.017 18 0 "[ . 1 . 2]" 1
658 1 35 LEU MD2 1 47 GLY HA3 . . 4.500 4.286 2.467 4.480 . 0 0 "[ . 1 . 2]" 1
659 1 35 LEU MD2 1 58 PHE QE . . 4.120 3.488 2.469 3.783 . 0 0 "[ . 1 . 2]" 1
660 1 35 LEU MD2 1 58 PHE HZ . . 3.370 2.842 1.889 3.384 0.014 20 0 "[ . 1 . 2]" 1
661 1 35 LEU HG 1 47 GLY HA3 . . 5.500 3.726 3.643 4.570 . 0 0 "[ . 1 . 2]" 1
662 1 36 LEU H 1 36 LEU HB2 . . 3.580 2.641 2.565 3.004 . 0 0 "[ . 1 . 2]" 1
663 1 36 LEU H 1 36 LEU MD1 . . 5.010 3.991 3.863 4.152 . 0 0 "[ . 1 . 2]" 1
664 1 36 LEU H 1 36 LEU MD2 . . 4.030 3.688 3.557 3.772 . 0 0 "[ . 1 . 2]" 1
665 1 36 LEU H 1 36 LEU HG . . 3.680 2.815 2.612 2.934 . 0 0 "[ . 1 . 2]" 1
666 1 36 LEU H 1 37 ILE H . . 3.420 2.014 1.896 2.499 . 0 0 "[ . 1 . 2]" 1
667 1 36 LEU H 1 46 TYR QD . . 5.100 3.914 3.301 4.152 . 0 0 "[ . 1 . 2]" 1
668 1 36 LEU H 1 47 GLY HA2 . . 3.770 2.771 2.620 2.895 . 0 0 "[ . 1 . 2]" 1
669 1 36 LEU H 1 47 GLY HA3 . . 4.150 3.999 3.776 4.130 . 0 0 "[ . 1 . 2]" 1
670 1 36 LEU HA 1 36 LEU MD2 . . 3.500 2.017 1.965 2.161 . 0 0 "[ . 1 . 2]" 1
671 1 36 LEU HA 1 36 LEU HG . . 4.200 3.180 3.139 3.242 . 0 0 "[ . 1 . 2]" 1
672 1 36 LEU HB2 1 36 LEU MD1 . . 3.330 2.313 2.152 2.408 . 0 0 "[ . 1 . 2]" 1
673 1 36 LEU HB2 1 37 ILE H . . 5.500 2.736 2.471 4.358 . 0 0 "[ . 1 . 2]" 1
674 1 36 LEU HB2 1 46 TYR QD . . 3.360 2.361 2.031 2.588 . 0 0 "[ . 1 . 2]" 1
675 1 36 LEU HB2 1 46 TYR QE . . 4.920 3.969 3.262 4.324 . 0 0 "[ . 1 . 2]" 1
676 1 36 LEU HB2 1 47 GLY HA2 . . 4.730 3.654 3.476 3.808 . 0 0 "[ . 1 . 2]" 1
677 1 36 LEU HB3 1 36 LEU MD1 . . 3.540 2.391 2.287 2.535 . 0 0 "[ . 1 . 2]" 1
678 1 36 LEU HB3 1 36 LEU MD2 . . 3.180 2.368 2.318 2.390 . 0 0 "[ . 1 . 2]" 1
679 1 36 LEU HB3 1 37 ILE H . . 4.840 3.823 3.664 4.588 . 0 0 "[ . 1 . 2]" 1
680 1 36 LEU HB3 1 46 TYR QD . . 4.230 3.846 3.483 4.242 0.012 16 0 "[ . 1 . 2]" 1
681 1 36 LEU HB3 1 46 TYR QE . . 5.500 4.728 4.225 5.151 . 0 0 "[ . 1 . 2]" 1
682 1 36 LEU HB3 1 47 GLY HA2 . . 4.800 4.801 4.734 4.854 0.054 19 0 "[ . 1 . 2]" 1
683 1 36 LEU MD1 1 46 TYR QD . . 4.500 2.522 2.165 3.510 . 0 0 "[ . 1 . 2]" 1
684 1 36 LEU MD1 1 46 TYR QE . . 3.960 2.373 1.965 2.871 . 0 0 "[ . 1 . 2]" 1
685 1 36 LEU MD1 1 47 GLY H . . 5.500 3.835 3.424 4.298 . 0 0 "[ . 1 . 2]" 1
686 1 36 LEU MD1 1 47 GLY HA2 . . 4.490 3.193 2.965 3.312 . 0 0 "[ . 1 . 2]" 1
687 1 36 LEU MD1 1 47 GLY HA3 . . 5.500 4.473 4.273 4.612 . 0 0 "[ . 1 . 2]" 1
688 1 36 LEU MD1 1 48 GLU H . . 4.780 3.908 2.944 4.116 . 0 0 "[ . 1 . 2]" 1
689 1 36 LEU MD1 1 48 GLU HB2 . . 3.980 2.658 1.972 3.157 . 0 0 "[ . 1 . 2]" 1
690 1 36 LEU MD1 1 48 GLU HB3 . . 4.450 4.011 3.096 4.451 0.001 19 0 "[ . 1 . 2]" 1
691 1 36 LEU MD1 1 48 GLU HG3 . . 4.920 4.369 3.886 4.917 . 0 0 "[ . 1 . 2]" 1
692 1 36 LEU MD1 1 55 ARG HB3 . . 5.500 2.897 2.380 3.618 . 0 0 "[ . 1 . 2]" 1
693 1 36 LEU MD1 1 55 ARG HD2 . . 4.460 3.302 2.929 3.884 . 0 0 "[ . 1 . 2]" 1
694 1 36 LEU MD1 1 55 ARG HD3 . . 3.740 2.094 1.793 2.672 . 0 0 "[ . 1 . 2]" 1
695 1 36 LEU MD1 1 55 ARG HE . . 5.110 3.887 2.640 4.486 . 0 0 "[ . 1 . 2]" 1
696 1 36 LEU MD1 1 55 ARG HG2 . . 4.390 2.098 1.934 2.842 . 0 0 "[ . 1 . 2]" 1
697 1 36 LEU MD1 1 55 ARG HG3 . . 5.500 3.517 3.300 4.140 . 0 0 "[ . 1 . 2]" 1
698 1 36 LEU MD2 1 47 GLY HA2 . . 4.180 3.495 3.352 3.800 . 0 0 "[ . 1 . 2]" 1
699 1 36 LEU MD2 1 47 GLY HA3 . . 4.800 4.700 4.551 4.810 0.010 16 0 "[ . 1 . 2]" 1
700 1 36 LEU MD2 1 48 GLU H . . 4.760 3.585 3.332 3.829 . 0 0 "[ . 1 . 2]" 1
701 1 36 LEU MD2 1 48 GLU HB2 . . 4.060 3.048 2.613 3.935 . 0 0 "[ . 1 . 2]" 1
702 1 36 LEU HG 1 47 GLY H . . 4.950 4.221 4.056 4.623 . 0 0 "[ . 1 . 2]" 1
703 1 36 LEU HG 1 47 GLY HA2 . . 3.420 2.048 1.994 2.179 . 0 0 "[ . 1 . 2]" 1
704 1 36 LEU HG 1 47 GLY HA3 . . 3.770 3.736 3.681 3.770 0.000 13 0 "[ . 1 . 2]" 1
705 1 36 LEU HG 1 48 GLU H . . 4.210 3.439 3.191 3.565 . 0 0 "[ . 1 . 2]" 1
706 1 37 ILE H 1 37 ILE HB . . 4.140 3.649 3.563 3.743 . 0 0 "[ . 1 . 2]" 1
707 1 37 ILE H 1 37 ILE MD . . 5.500 3.795 3.654 3.946 . 0 0 "[ . 1 . 2]" 1
708 1 37 ILE H 1 37 ILE HG12 . . 4.130 2.295 1.990 2.849 . 0 0 "[ . 1 . 2]" 1
709 1 37 ILE H 1 37 ILE HG13 . . 3.640 2.556 2.264 2.950 . 0 0 "[ . 1 . 2]" 1
710 1 37 ILE H 1 37 ILE MG . . 4.090 2.795 2.499 3.472 . 0 0 "[ . 1 . 2]" 1
711 1 37 ILE H 1 38 PRO HD3 . . 5.500 4.635 4.602 4.782 . 0 0 "[ . 1 . 2]" 1
712 1 37 ILE H 1 45 LEU QD . . 5.500 4.511 4.257 4.907 . 0 0 "[ . 1 . 2]" 1
713 1 37 ILE H 1 46 TYR H . . 5.500 4.302 4.082 5.418 . 0 0 "[ . 1 . 2]" 1
714 1 37 ILE H 1 46 TYR QD . . 5.160 3.793 3.396 4.898 . 0 0 "[ . 1 . 2]" 1
715 1 37 ILE HA 1 38 PRO HD2 . . 3.480 2.500 2.432 2.831 . 0 0 "[ . 1 . 2]" 1
716 1 37 ILE HA 1 38 PRO HD3 . . 3.110 1.924 1.908 2.063 . 0 0 "[ . 1 . 2]" 1
717 1 37 ILE HB 1 37 ILE MD . . 3.680 2.148 1.961 2.354 . 0 0 "[ . 1 . 2]" 1
718 1 37 ILE HB 1 38 PRO HD2 . . 3.320 2.577 1.993 2.709 . 0 0 "[ . 1 . 2]" 1
719 1 37 ILE HB 1 38 PRO HD3 . . 3.610 3.528 3.004 3.630 0.020 18 0 "[ . 1 . 2]" 1
720 1 37 ILE HB 1 39 GLU H . . 4.190 2.604 2.540 2.774 . 0 0 "[ . 1 . 2]" 1
721 1 37 ILE HB 1 46 TYR HB3 . . 5.500 4.873 4.243 5.000 . 0 0 "[ . 1 . 2]" 1
722 1 37 ILE MD 1 39 GLU H . . 4.230 3.126 2.512 4.171 . 0 0 "[ . 1 . 2]" 1
723 1 37 ILE MD 1 45 LEU HA . . 3.840 3.446 2.385 3.844 0.004 9 0 "[ . 1 . 2]" 1
724 1 37 ILE MD 1 46 TYR H . . 3.970 2.907 1.740 3.306 . 0 0 "[ . 1 . 2]" 1
725 1 37 ILE MD 1 46 TYR HB2 . . 3.660 2.706 1.981 3.242 . 0 0 "[ . 1 . 2]" 1
726 1 37 ILE MD 1 46 TYR HB3 . . 4.140 3.046 2.164 3.422 . 0 0 "[ . 1 . 2]" 1
727 1 37 ILE MD 1 46 TYR QD . . 5.040 4.104 3.658 4.452 . 0 0 "[ . 1 . 2]" 1
728 1 37 ILE MD 1 57 TRP HE3 . . 5.500 4.726 4.091 5.143 . 0 0 "[ . 1 . 2]" 1
729 1 37 ILE MD 1 57 TRP HH2 . . 4.040 2.421 1.972 3.101 . 0 0 "[ . 1 . 2]" 1
730 1 37 ILE MD 1 57 TRP HZ2 . . 5.500 4.303 3.660 5.045 . 0 0 "[ . 1 . 2]" 1
731 1 37 ILE MD 1 57 TRP HZ3 . . 4.280 2.749 2.313 3.292 . 0 0 "[ . 1 . 2]" 1
732 1 37 ILE HG12 1 39 GLU H . . 5.500 4.777 4.284 5.393 . 0 0 "[ . 1 . 2]" 1
733 1 37 ILE HG12 1 46 TYR H . . 4.330 3.101 2.280 3.333 . 0 0 "[ . 1 . 2]" 1
734 1 37 ILE HG12 1 46 TYR HB2 . . 4.620 2.914 2.637 3.440 . 0 0 "[ . 1 . 2]" 1
735 1 37 ILE HG13 1 38 PRO HA . . 5.500 4.702 4.553 5.180 . 0 0 "[ . 1 . 2]" 1
736 1 37 ILE HG13 1 38 PRO HD2 . . 5.500 4.521 3.900 4.683 . 0 0 "[ . 1 . 2]" 1
737 1 37 ILE HG13 1 39 GLU H . . 4.790 3.445 2.699 4.278 . 0 0 "[ . 1 . 2]" 1
738 1 37 ILE HG13 1 45 LEU QD . . 3.410 3.035 2.618 3.253 . 0 0 "[ . 1 . 2]" 1
739 1 37 ILE HG13 1 46 TYR H . . 5.100 3.188 2.945 3.612 . 0 0 "[ . 1 . 2]" 1
740 1 37 ILE HG13 1 46 TYR HB2 . . 5.500 4.022 3.689 4.917 . 0 0 "[ . 1 . 2]" 1
741 1 37 ILE HG13 1 46 TYR QD . . 5.500 4.887 4.524 5.321 . 0 0 "[ . 1 . 2]" 1
742 1 37 ILE MG 1 38 PRO HD2 . . 4.130 3.495 2.754 3.686 . 0 0 "[ . 1 . 2]" 1
743 1 37 ILE MG 1 38 PRO HD3 . . 4.220 3.657 2.838 3.813 . 0 0 "[ . 1 . 2]" 1
744 1 37 ILE MG 1 39 GLU H . . 4.180 4.201 4.169 4.225 0.045 19 0 "[ . 1 . 2]" 1
745 1 37 ILE MG 1 46 TYR H . . 4.920 4.744 3.619 4.953 0.033 2 0 "[ . 1 . 2]" 1
746 1 37 ILE MG 1 46 TYR HB2 . . 4.330 3.846 2.649 4.217 . 0 0 "[ . 1 . 2]" 1
747 1 37 ILE MG 1 46 TYR HB3 . . 4.900 3.169 1.983 3.513 . 0 0 "[ . 1 . 2]" 1
748 1 37 ILE MG 1 46 TYR QD . . 3.920 3.165 2.610 3.630 . 0 0 "[ . 1 . 2]" 1
749 1 37 ILE MG 1 57 TRP HH2 . . 5.290 3.950 2.704 4.347 . 0 0 "[ . 1 . 2]" 1
750 1 38 PRO HB2 1 39 GLU H . . 4.070 3.729 3.229 3.876 . 0 0 "[ . 1 . 2]" 1
751 1 38 PRO HD2 1 39 GLU H . . 4.530 2.407 2.264 2.519 . 0 0 "[ . 1 . 2]" 1
752 1 38 PRO HD3 1 39 GLU H . . 5.230 3.698 3.656 3.740 . 0 0 "[ . 1 . 2]" 1
753 1 38 PRO HG2 1 39 GLU H . . 4.230 3.390 2.760 3.606 . 0 0 "[ . 1 . 2]" 1
754 1 39 GLU H 1 39 GLU HG2 . . 5.210 4.035 2.276 4.711 . 0 0 "[ . 1 . 2]" 1
755 1 39 GLU H 1 39 GLU HG3 . . 4.650 4.279 3.534 4.602 . 0 0 "[ . 1 . 2]" 1
756 1 39 GLU H 1 45 LEU QD . . 5.500 4.256 3.569 4.836 . 0 0 "[ . 1 . 2]" 1
757 1 39 GLU HA 1 39 GLU HG3 . . 4.230 2.983 2.127 4.261 0.031 11 0 "[ . 1 . 2]" 1
758 1 39 GLU HA 1 40 GLU H . . 3.100 2.626 2.460 2.835 . 0 0 "[ . 1 . 2]" 1
759 1 39 GLU HA 1 45 LEU QD . . 4.130 3.826 2.061 4.061 . 0 0 "[ . 1 . 2]" 1
760 1 39 GLU HB2 1 39 GLU HG2 . . 2.400 2.609 2.449 2.688 0.288 10 0 "[ . 1 . 2]" 1
761 1 39 GLU HB2 1 40 GLU H . . 4.310 3.474 2.048 3.987 . 0 0 "[ . 1 . 2]" 1
762 1 39 GLU HB3 1 39 GLU HG2 . . 2.650 2.644 2.338 3.049 0.399 15 0 "[ . 1 . 2]" 1
763 1 39 GLU HB3 1 40 GLU H . . 4.190 2.852 1.946 3.953 . 0 0 "[ . 1 . 2]" 1
764 1 39 GLU HG2 1 40 GLU H . . 4.330 3.572 3.307 3.887 . 0 0 "[ . 1 . 2]" 1
765 1 39 GLU HG3 1 40 GLU H . . 4.230 3.089 2.028 4.347 0.117 16 0 "[ . 1 . 2]" 1
766 1 40 GLU H 1 40 GLU HB3 . . 3.550 3.130 2.364 3.385 . 0 0 "[ . 1 . 2]" 1
767 1 40 GLU H 1 40 GLU HG2 . . 4.090 2.332 1.946 3.302 . 0 0 "[ . 1 . 2]" 1
768 1 40 GLU H 1 40 GLU HG3 . . 3.970 3.548 3.063 3.905 . 0 0 "[ . 1 . 2]" 1
769 1 40 GLU H 1 41 LYS H . . 4.640 4.458 4.374 4.662 0.022 13 0 "[ . 1 . 2]" 1
770 1 40 GLU H 1 45 LEU QD . . 4.330 3.536 2.157 3.765 . 0 0 "[ . 1 . 2]" 1
771 1 40 GLU HA 1 41 LYS H . . 3.140 2.348 2.273 2.518 . 0 0 "[ . 1 . 2]" 1
772 1 40 GLU HA 1 44 TRP H . . 5.460 5.398 4.288 5.517 0.057 16 0 "[ . 1 . 2]" 1
773 1 40 GLU HA 1 45 LEU QD . . 3.290 1.987 1.733 2.137 . 0 0 "[ . 1 . 2]" 1
774 1 40 GLU HA 1 45 LEU HG . . 4.280 3.202 2.526 4.119 . 0 0 "[ . 1 . 2]" 1
775 1 40 GLU HB2 1 41 LYS H . . 3.980 2.872 2.420 3.090 . 0 0 "[ . 1 . 2]" 1
776 1 40 GLU HB2 1 43 GLY H . . 4.900 2.817 2.342 4.193 . 0 0 "[ . 1 . 2]" 1
777 1 40 GLU HB2 1 43 GLY HA3 . . 5.500 4.874 4.430 6.218 0.718 11 2 "[ . 1+ - 2]" 1
778 1 40 GLU HB2 1 44 TRP H . . 4.600 3.903 2.483 4.200 . 0 0 "[ . 1 . 2]" 1
779 1 40 GLU HB2 1 45 LEU HG . . 3.920 2.602 2.010 4.062 0.142 18 0 "[ . 1 . 2]" 1
780 1 40 GLU HB2 1 60 SER HB3 . . 4.790 3.941 3.404 4.633 . 0 0 "[ . 1 . 2]" 1
781 1 40 GLU HB3 1 45 LEU HA . . 5.500 4.006 3.449 4.639 . 0 0 "[ . 1 . 2]" 1
782 1 40 GLU HB3 1 45 LEU QD . . 3.760 1.984 1.746 2.695 . 0 0 "[ . 1 . 2]" 1
783 1 40 GLU HB3 1 60 SER HB2 . . 5.500 5.057 4.394 5.328 . 0 0 "[ . 1 . 2]" 1
784 1 40 GLU HG2 1 41 LYS H . . 5.500 4.433 3.493 4.995 . 0 0 "[ . 1 . 2]" 1
785 1 40 GLU HG2 1 43 GLY H . . 5.030 3.383 2.373 4.250 . 0 0 "[ . 1 . 2]" 1
786 1 40 GLU HG2 1 45 LEU QD . . 5.500 4.047 3.595 4.441 . 0 0 "[ . 1 . 2]" 1
787 1 40 GLU HG2 1 45 LEU HG . . 5.500 4.989 4.516 6.349 0.849 18 1 "[ . 1 . + 2]" 1
788 1 40 GLU HG3 1 41 LYS H . . 5.500 4.463 3.843 5.028 . 0 0 "[ . 1 . 2]" 1
789 1 40 GLU HG3 1 43 GLY H . . 5.010 2.443 1.947 4.491 . 0 0 "[ . 1 . 2]" 1
790 1 40 GLU HG3 1 44 TRP H . . 5.500 4.915 3.992 5.802 0.302 18 0 "[ . 1 . 2]" 1
791 1 40 GLU HG3 1 45 LEU QD . . 5.500 4.120 3.219 4.511 . 0 0 "[ . 1 . 2]" 1
792 1 41 LYS H 1 41 LYS HB3 . . 4.160 2.864 2.425 3.328 . 0 0 "[ . 1 . 2]" 1
793 1 41 LYS H 1 44 TRP H . . 3.950 3.660 3.093 3.944 . 0 0 "[ . 1 . 2]" 1
794 1 41 LYS H 1 45 LEU QD . . 4.690 3.577 2.079 4.232 . 0 0 "[ . 1 . 2]" 1
795 1 41 LYS H 1 45 LEU HG . . 5.330 4.174 3.375 5.186 . 0 0 "[ . 1 . 2]" 1
796 1 41 LYS H 1 57 TRP HZ3 . . 5.500 3.007 2.560 3.817 . 0 0 "[ . 1 . 2]" 1
797 1 41 LYS HA 1 42 ASP H . . 3.490 2.630 2.459 3.172 . 0 0 "[ . 1 . 2]" 1
798 1 41 LYS HA 1 43 GLY H . . 5.500 4.690 4.175 5.162 . 0 0 "[ . 1 . 2]" 1
799 1 41 LYS HB2 1 44 TRP H . . 5.380 4.583 3.229 5.897 0.517 13 1 "[ . 1 + . 2]" 1
800 1 41 LYS HB2 1 57 TRP HZ3 . . 5.390 2.262 1.998 3.779 . 0 0 "[ . 1 . 2]" 1
801 1 41 LYS HD3 1 41 LYS HG2 . . 2.800 2.512 2.265 3.034 0.234 10 0 "[ . 1 . 2]" 1
802 1 42 ASP H 1 43 GLY H . . 4.610 2.840 1.871 3.868 . 0 0 "[ . 1 . 2]" 1
803 1 42 ASP HA 1 43 GLY H . . 3.550 2.727 2.511 3.002 . 0 0 "[ . 1 . 2]" 1
804 1 42 ASP HB2 1 44 TRP H . . 5.500 4.198 3.891 5.033 . 0 0 "[ . 1 . 2]" 1
805 1 42 ASP HB2 1 44 TRP HD1 . . 5.500 4.384 3.163 5.542 0.042 13 0 "[ . 1 . 2]" 1
806 1 42 ASP HB3 1 44 TRP H . . 5.500 4.586 3.308 4.999 . 0 0 "[ . 1 . 2]" 1
807 1 42 ASP HB3 1 44 TRP HD1 . . 5.080 4.634 3.958 5.389 0.309 10 0 "[ . 1 . 2]" 1
808 1 43 GLY H 1 44 TRP H . . 3.260 2.944 2.294 3.205 . 0 0 "[ . 1 . 2]" 1
809 1 44 TRP H 1 44 TRP HB2 . . 3.670 2.386 2.262 2.629 . 0 0 "[ . 1 . 2]" 1
810 1 44 TRP H 1 44 TRP HD1 . . 4.190 2.348 1.999 2.889 . 0 0 "[ . 1 . 2]" 1
811 1 44 TRP H 1 44 TRP HE1 . . 5.500 4.913 4.544 5.464 . 0 0 "[ . 1 . 2]" 1
812 1 44 TRP H 1 45 LEU H . . 4.880 4.606 4.473 4.653 . 0 0 "[ . 1 . 2]" 1
813 1 44 TRP H 1 60 SER H . . 5.190 4.410 4.210 4.893 . 0 0 "[ . 1 . 2]" 1
814 1 44 TRP HA 1 44 TRP HE3 . . 4.870 3.791 3.295 4.324 . 0 0 "[ . 1 . 2]" 1
815 1 44 TRP HA 1 45 LEU H . . 3.180 2.364 2.264 2.467 . 0 0 "[ . 1 . 2]" 1
816 1 44 TRP HA 1 58 PHE H . . 5.500 4.613 4.232 4.970 . 0 0 "[ . 1 . 2]" 1
817 1 44 TRP HA 1 59 PRO HA . . 3.350 2.050 1.987 2.294 . 0 0 "[ . 1 . 2]" 1
818 1 44 TRP HA 1 60 SER H . . 3.720 2.184 2.013 2.505 . 0 0 "[ . 1 . 2]" 1
819 1 44 TRP HB2 1 45 LEU H . . 4.710 3.965 3.681 4.097 . 0 0 "[ . 1 . 2]" 1
820 1 44 TRP HB2 1 57 TRP HE3 . . 4.100 3.568 3.064 3.822 . 0 0 "[ . 1 . 2]" 1
821 1 44 TRP HB2 1 57 TRP HZ3 . . 5.440 4.306 3.931 4.610 . 0 0 "[ . 1 . 2]" 1
822 1 44 TRP HB3 1 44 TRP HE3 . . 3.290 2.356 2.330 2.439 . 0 0 "[ . 1 . 2]" 1
823 1 44 TRP HB3 1 45 LEU H . . 4.010 2.808 2.534 3.136 . 0 0 "[ . 1 . 2]" 1
824 1 44 TRP HB3 1 57 TRP HE3 . . 3.380 2.822 2.464 2.938 . 0 0 "[ . 1 . 2]" 1
825 1 44 TRP HB3 1 57 TRP HZ3 . . 4.450 4.383 3.822 4.458 0.008 18 0 "[ . 1 . 2]" 1
826 1 44 TRP HE3 1 45 LEU H . . 5.050 3.887 3.390 4.620 . 0 0 "[ . 1 . 2]" 1
827 1 44 TRP HE3 1 57 TRP HB2 . . 4.710 4.079 3.589 4.609 . 0 0 "[ . 1 . 2]" 1
828 1 44 TRP HE3 1 57 TRP HB3 . . 3.750 2.838 2.410 3.419 . 0 0 "[ . 1 . 2]" 1
829 1 44 TRP HE3 1 58 PHE H . . 4.150 2.877 2.580 3.509 . 0 0 "[ . 1 . 2]" 1
830 1 44 TRP HE3 1 58 PHE HA . . 4.430 2.602 2.296 2.895 . 0 0 "[ . 1 . 2]" 1
831 1 44 TRP HE3 1 59 PRO HA . . 4.860 3.645 3.166 4.019 . 0 0 "[ . 1 . 2]" 1
832 1 44 TRP HH2 1 59 PRO HD3 . . 5.500 3.398 2.916 4.343 . 0 0 "[ . 1 . 2]" 1
833 1 44 TRP HH2 1 59 PRO HG3 . . 5.500 3.442 3.062 4.091 . 0 0 "[ . 1 . 2]" 1
834 1 44 TRP HZ2 1 59 PRO HG3 . . 5.500 3.977 3.404 5.065 . 0 0 "[ . 1 . 2]" 1
835 1 44 TRP HZ3 1 58 PHE HA . . 3.560 2.373 1.998 3.279 . 0 0 "[ . 1 . 2]" 1
836 1 44 TRP HZ3 1 59 PRO HD3 . . 3.860 2.331 1.998 2.969 . 0 0 "[ . 1 . 2]" 1
837 1 44 TRP HZ3 1 59 PRO HG3 . . 5.500 3.887 3.017 4.563 . 0 0 "[ . 1 . 2]" 1
838 1 45 LEU H 1 45 LEU HB2 . . 3.960 2.533 2.316 2.671 . 0 0 "[ . 1 . 2]" 1
839 1 45 LEU H 1 45 LEU HB3 . . 3.810 3.562 3.474 3.654 . 0 0 "[ . 1 . 2]" 1
840 1 45 LEU H 1 45 LEU HG . . 4.380 3.837 3.474 4.465 0.085 18 0 "[ . 1 . 2]" 1
841 1 45 LEU H 1 57 TRP HE3 . . 4.700 3.808 3.066 4.151 . 0 0 "[ . 1 . 2]" 1
842 1 45 LEU H 1 58 PHE H . . 3.840 3.045 2.683 3.654 . 0 0 "[ . 1 . 2]" 1
843 1 45 LEU H 1 58 PHE QD . . 5.500 3.363 2.964 3.699 . 0 0 "[ . 1 . 2]" 1
844 1 45 LEU H 1 59 PRO HA . . 4.900 3.416 3.307 3.604 . 0 0 "[ . 1 . 2]" 1
845 1 45 LEU H 1 60 SER H . . 4.090 3.183 2.735 3.609 . 0 0 "[ . 1 . 2]" 1
846 1 45 LEU H 1 60 SER HA . . 5.500 4.100 3.614 4.540 . 0 0 "[ . 1 . 2]" 1
847 1 45 LEU HA 1 45 LEU QD . . 3.350 2.085 1.923 2.560 . 0 0 "[ . 1 . 2]" 1
848 1 45 LEU HA 1 57 TRP HZ3 . . 5.460 3.250 2.592 3.866 . 0 0 "[ . 1 . 2]" 1
849 1 45 LEU HB2 1 46 TYR H . . 4.340 4.194 4.163 4.257 . 0 0 "[ . 1 . 2]" 1
850 1 45 LEU HB2 1 58 PHE H . . 5.140 4.897 4.618 5.145 0.005 13 0 "[ . 1 . 2]" 1
851 1 45 LEU HB2 1 58 PHE QE . . 5.500 2.333 2.135 2.567 . 0 0 "[ . 1 . 2]" 1
852 1 45 LEU HB2 1 58 PHE HZ . . 5.460 3.788 2.873 4.317 . 0 0 "[ . 1 . 2]" 1
853 1 45 LEU HB3 1 46 TYR H . . 4.480 2.951 2.906 3.070 . 0 0 "[ . 1 . 2]" 1
854 1 45 LEU HB3 1 58 PHE H . . 5.500 5.263 4.818 5.498 . 0 0 "[ . 1 . 2]" 1
855 1 45 LEU HB3 1 58 PHE QE . . 4.730 2.645 2.320 3.229 . 0 0 "[ . 1 . 2]" 1
856 1 45 LEU HB3 1 58 PHE HZ . . 4.550 2.840 2.464 3.446 . 0 0 "[ . 1 . 2]" 1
857 1 45 LEU QD 1 46 TYR H . . 3.660 2.464 2.055 2.786 . 0 0 "[ . 1 . 2]" 1
858 1 45 LEU QD 1 58 PHE QD . . 5.500 4.384 3.909 4.622 . 0 0 "[ . 1 . 2]" 1
859 1 45 LEU QD 1 58 PHE QE . . 4.000 3.085 2.694 3.620 . 0 0 "[ . 1 . 2]" 1
860 1 45 LEU QD 1 58 PHE HZ . . 4.770 3.837 3.340 4.338 . 0 0 "[ . 1 . 2]" 1
861 1 45 LEU QD 1 60 SER H . . 4.950 3.920 2.760 4.124 . 0 0 "[ . 1 . 2]" 1
862 1 45 LEU QD 1 60 SER HA . . 3.190 2.838 2.109 3.205 0.015 18 0 "[ . 1 . 2]" 1
863 1 45 LEU QD 1 60 SER HB2 . . 3.470 2.173 1.881 2.339 . 0 0 "[ . 1 . 2]" 1
864 1 45 LEU QD 1 60 SER HB3 . . 3.660 2.369 1.928 3.353 . 0 0 "[ . 1 . 2]" 1
865 1 45 LEU HG 1 60 SER HA . . 4.410 4.388 3.989 4.438 0.028 15 0 "[ . 1 . 2]" 1
866 1 45 LEU HG 1 60 SER HB2 . . 4.200 3.611 2.231 3.928 . 0 0 "[ . 1 . 2]" 1
867 1 45 LEU HG 1 60 SER HB3 . . 3.820 2.760 2.455 3.924 0.104 18 0 "[ . 1 . 2]" 1
868 1 46 TYR H 1 46 TYR HB2 . . 4.090 2.457 2.395 2.575 . 0 0 "[ . 1 . 2]" 1
869 1 46 TYR H 1 46 TYR QD . . 5.500 4.160 4.134 4.195 . 0 0 "[ . 1 . 2]" 1
870 1 46 TYR HA 1 46 TYR QD . . 3.750 2.476 2.344 2.653 . 0 0 "[ . 1 . 2]" 1
871 1 46 TYR HA 1 47 GLY H . . 3.110 2.394 2.245 2.544 . 0 0 "[ . 1 . 2]" 1
872 1 46 TYR HA 1 56 GLY H . . 5.500 4.939 4.778 5.078 . 0 0 "[ . 1 . 2]" 1
873 1 46 TYR HA 1 57 TRP HA . . 3.300 2.975 2.906 3.050 . 0 0 "[ . 1 . 2]" 1
874 1 46 TYR HA 1 58 PHE H . . 4.740 3.565 3.377 3.875 . 0 0 "[ . 1 . 2]" 1
875 1 46 TYR HB2 1 47 GLY H . . 5.500 4.171 3.940 4.382 . 0 0 "[ . 1 . 2]" 1
876 1 46 TYR HB3 1 47 GLY H . . 5.500 3.595 3.385 3.976 . 0 0 "[ . 1 . 2]" 1
877 1 46 TYR HB3 1 57 TRP HA . . 5.500 5.593 5.460 5.780 0.280 11 0 "[ . 1 . 2]" 1
878 1 46 TYR HB3 1 57 TRP HZ3 . . 5.500 4.258 3.990 4.625 . 0 0 "[ . 1 . 2]" 1
879 1 46 TYR QD 1 47 GLY H . . 4.460 3.259 2.909 3.590 . 0 0 "[ . 1 . 2]" 1
880 1 46 TYR QD 1 47 GLY HA2 . . 5.500 3.975 3.430 4.143 . 0 0 "[ . 1 . 2]" 1
881 1 46 TYR QD 1 56 GLY HA2 . . 5.500 4.509 4.298 4.684 . 0 0 "[ . 1 . 2]" 1
882 1 46 TYR QD 1 57 TRP H . . 5.480 4.446 4.260 4.720 . 0 0 "[ . 1 . 2]" 1
883 1 46 TYR QD 1 57 TRP HA . . 4.100 2.502 2.256 2.829 . 0 0 "[ . 1 . 2]" 1
884 1 46 TYR QD 1 57 TRP HD1 . . 5.100 4.108 3.836 4.304 . 0 0 "[ . 1 . 2]" 1
885 1 46 TYR QD 1 57 TRP HE1 . . 5.470 4.097 3.664 4.281 . 0 0 "[ . 1 . 2]" 1
886 1 46 TYR QE 1 55 ARG HB2 . . 4.790 3.210 2.858 3.555 . 0 0 "[ . 1 . 2]" 1
887 1 46 TYR QE 1 55 ARG HD3 . . 4.820 3.671 2.677 4.187 . 0 0 "[ . 1 . 2]" 1
888 1 46 TYR QE 1 56 GLY H . . 5.380 4.217 3.849 4.571 . 0 0 "[ . 1 . 2]" 1
889 1 46 TYR QE 1 56 GLY HA2 . . 3.410 2.906 2.617 3.388 . 0 0 "[ . 1 . 2]" 1
890 1 46 TYR QE 1 57 TRP H . . 5.470 4.097 3.772 4.605 . 0 0 "[ . 1 . 2]" 1
891 1 46 TYR QE 1 57 TRP HD1 . . 5.500 3.182 2.650 3.846 . 0 0 "[ . 1 . 2]" 1
892 1 46 TYR QE 1 57 TRP HE1 . . 5.500 3.226 2.847 3.765 . 0 0 "[ . 1 . 2]" 1
893 1 47 GLY H 1 48 GLU H . . 5.500 4.363 4.354 4.372 . 0 0 "[ . 1 . 2]" 1
894 1 47 GLY H 1 56 GLY H . . 3.670 3.675 3.505 3.698 0.028 15 0 "[ . 1 . 2]" 1
895 1 47 GLY H 1 57 TRP HA . . 4.990 4.497 4.248 4.743 . 0 0 "[ . 1 . 2]" 1
896 1 47 GLY H 1 58 PHE QD . . 5.280 4.114 3.522 4.588 . 0 0 "[ . 1 . 2]" 1
897 1 47 GLY H 1 58 PHE QE . . 4.060 2.825 2.319 3.240 . 0 0 "[ . 1 . 2]" 1
898 1 47 GLY H 1 58 PHE HZ . . 5.390 4.567 3.563 5.371 . 0 0 "[ . 1 . 2]" 1
899 1 47 GLY HA2 1 48 GLU H . . 3.630 2.663 2.592 2.712 . 0 0 "[ . 1 . 2]" 1
900 1 47 GLY HA2 1 58 PHE QE . . 5.500 3.935 3.753 4.361 . 0 0 "[ . 1 . 2]" 1
901 1 47 GLY HA3 1 48 GLU H . . 3.420 2.577 2.531 2.646 . 0 0 "[ . 1 . 2]" 1
902 1 47 GLY HA3 1 58 PHE QE . . 3.940 2.569 2.385 3.021 . 0 0 "[ . 1 . 2]" 1
903 1 47 GLY HA3 1 58 PHE HZ . . 5.500 3.412 2.585 4.447 . 0 0 "[ . 1 . 2]" 1
904 1 48 GLU H 1 48 GLU HB2 . . 4.130 2.983 2.828 3.082 . 0 0 "[ . 1 . 2]" 1
905 1 48 GLU H 1 48 GLU HB3 . . 3.890 2.574 2.503 2.655 . 0 0 "[ . 1 . 2]" 1
906 1 48 GLU H 1 48 GLU HG2 . . 5.500 4.390 4.331 4.495 . 0 0 "[ . 1 . 2]" 1
907 1 48 GLU HA 1 48 GLU HG3 . . 3.200 2.556 2.345 2.762 . 0 0 "[ . 1 . 2]" 1
908 1 48 GLU HA 1 49 HIS H . . 3.190 2.318 2.261 2.449 . 0 0 "[ . 1 . 2]" 1
909 1 48 GLU HA 1 55 ARG HA . . 3.110 2.372 2.149 2.521 . 0 0 "[ . 1 . 2]" 1
910 1 48 GLU HA 1 55 ARG HB2 . . 5.500 4.198 4.085 4.437 . 0 0 "[ . 1 . 2]" 1
911 1 48 GLU HA 1 55 ARG HG2 . . 3.880 2.280 1.993 2.796 . 0 0 "[ . 1 . 2]" 1
912 1 48 GLU HA 1 55 ARG HG3 . . 5.250 2.257 1.995 2.803 . 0 0 "[ . 1 . 2]" 1
913 1 48 GLU HA 1 56 GLY H . . 4.850 4.008 3.790 4.191 . 0 0 "[ . 1 . 2]" 1
914 1 48 GLU HB2 1 48 GLU HG3 . . 2.720 2.502 2.368 2.689 . 0 0 "[ . 1 . 2]" 1
915 1 48 GLU HB2 1 49 HIS H . . 4.420 4.111 3.944 4.223 . 0 0 "[ . 1 . 2]" 1
916 1 48 GLU HB2 1 55 ARG HG2 . . 3.560 2.054 1.989 2.162 . 0 0 "[ . 1 . 2]" 1
917 1 48 GLU HB3 1 55 ARG HG2 . . 5.330 3.649 3.552 3.844 . 0 0 "[ . 1 . 2]" 1
918 1 48 GLU HG2 1 53 LYS H . . 4.690 4.289 4.004 4.611 . 0 0 "[ . 1 . 2]" 1
919 1 48 GLU HG2 1 53 LYS HA . . 3.620 3.156 2.690 3.376 . 0 0 "[ . 1 . 2]" 1
920 1 48 GLU HG2 1 53 LYS HD3 . . 5.500 5.463 5.065 5.785 0.285 5 0 "[ . 1 . 2]" 1
921 1 48 GLU HG3 1 49 HIS H . . 3.850 2.688 2.200 3.299 . 0 0 "[ . 1 . 2]" 1
922 1 48 GLU HG3 1 55 ARG HE . . 5.500 2.350 1.955 3.010 . 0 0 "[ . 1 . 2]" 1
923 1 48 GLU HG3 1 55 ARG HG2 . . 4.180 3.026 2.600 3.395 . 0 0 "[ . 1 . 2]" 1
924 1 49 HIS H 1 49 HIS HB2 . . 3.550 2.470 2.332 2.624 . 0 0 "[ . 1 . 2]" 1
925 1 49 HIS H 1 49 HIS HB3 . . 3.760 2.602 2.538 2.689 . 0 0 "[ . 1 . 2]" 1
926 1 49 HIS H 1 53 LYS H . . 5.130 4.111 3.775 4.294 . 0 0 "[ . 1 . 2]" 1
927 1 49 HIS H 1 53 LYS HA . . 4.950 4.175 3.689 4.481 . 0 0 "[ . 1 . 2]" 1
928 1 49 HIS H 1 54 ALA H . . 4.640 3.872 3.569 4.087 . 0 0 "[ . 1 . 2]" 1
929 1 49 HIS H 1 54 ALA MB . . 4.740 4.537 4.388 4.633 . 0 0 "[ . 1 . 2]" 1
930 1 49 HIS H 1 55 ARG HA . . 4.470 3.081 2.851 3.542 . 0 0 "[ . 1 . 2]" 1
931 1 49 HIS HA 1 50 ASP H . . 2.940 2.268 2.234 2.340 . 0 0 "[ . 1 . 2]" 1
932 1 49 HIS HA 1 50 ASP HB2 . . 5.480 4.218 4.163 4.295 . 0 0 "[ . 1 . 2]" 1
933 1 49 HIS HB2 1 49 HIS HD2 . . 3.820 2.732 2.717 2.845 . 0 0 "[ . 1 . 2]" 1
934 1 49 HIS HB2 1 52 THR H . . 5.300 4.419 4.184 4.901 . 0 0 "[ . 1 . 2]" 1
935 1 49 HIS HB2 1 53 LYS H . . 4.550 4.464 4.211 4.582 0.032 16 0 "[ . 1 . 2]" 1
936 1 49 HIS HB2 1 54 ALA H . . 4.240 4.259 4.196 4.276 0.036 14 0 "[ . 1 . 2]" 1
937 1 49 HIS HB2 1 54 ALA MB . . 5.030 4.481 4.203 4.612 . 0 0 "[ . 1 . 2]" 1
938 1 49 HIS HB3 1 52 THR H . . 4.290 2.932 2.609 3.477 . 0 0 "[ . 1 . 2]" 1
939 1 49 HIS HB3 1 52 THR MG . . 5.320 3.468 1.916 4.134 . 0 0 "[ . 1 . 2]" 1
940 1 49 HIS HB3 1 53 LYS H . . 3.820 2.748 2.508 2.863 . 0 0 "[ . 1 . 2]" 1
941 1 49 HIS HB3 1 54 ALA H . . 3.690 3.108 3.009 3.230 . 0 0 "[ . 1 . 2]" 1
942 1 49 HIS HB3 1 54 ALA MB . . 4.200 4.139 3.983 4.214 0.014 20 0 "[ . 1 . 2]" 1
943 1 49 HIS HE1 1 51 THR H . . 4.370 4.376 4.299 4.454 0.084 18 0 "[ . 1 . 2]" 1
944 1 49 HIS HE1 1 51 THR HA . . 4.800 4.766 4.601 4.910 0.110 11 0 "[ . 1 . 2]" 1
945 1 49 HIS HE1 1 51 THR HB . . 3.000 2.357 1.996 2.467 . 0 0 "[ . 1 . 2]" 1
946 1 49 HIS HE1 1 51 THR MG . . 4.300 3.255 2.081 3.541 . 0 0 "[ . 1 . 2]" 1
947 1 49 HIS HE1 1 52 THR H . . 4.400 4.222 3.956 4.427 0.027 16 0 "[ . 1 . 2]" 1
948 1 49 HIS HE1 1 52 THR MG . . 4.570 4.348 3.553 4.601 0.031 19 0 "[ . 1 . 2]" 1
949 1 50 ASP H 1 50 ASP HB2 . . 3.630 2.372 2.275 2.514 . 0 0 "[ . 1 . 2]" 1
950 1 50 ASP H 1 50 ASP HB3 . . 3.430 2.709 2.598 2.806 . 0 0 "[ . 1 . 2]" 1
951 1 50 ASP H 1 51 THR H . . 4.000 3.247 3.169 3.336 . 0 0 "[ . 1 . 2]" 1
952 1 50 ASP HA 1 53 LYS HD2 . . 4.410 4.217 3.886 4.445 0.035 19 0 "[ . 1 . 2]" 1
953 1 50 ASP HA 1 53 LYS HD3 . . 4.490 4.131 3.664 4.511 0.021 3 0 "[ . 1 . 2]" 1
954 1 50 ASP HB2 1 51 THR H . . 4.580 4.627 4.592 4.670 0.090 18 0 "[ . 1 . 2]" 1
955 1 50 ASP HB3 1 51 THR H . . 4.590 4.269 4.234 4.317 . 0 0 "[ . 1 . 2]" 1
956 1 51 THR H 1 51 THR HB . . 3.610 2.932 2.860 3.045 . 0 0 "[ . 1 . 2]" 1
957 1 51 THR H 1 51 THR MG . . 4.660 3.921 3.332 4.018 . 0 0 "[ . 1 . 2]" 1
958 1 51 THR H 1 52 THR H . . 3.400 2.632 1.887 3.126 . 0 0 "[ . 1 . 2]" 1
959 1 51 THR H 1 52 THR MG . . 4.910 4.225 3.254 4.740 . 0 0 "[ . 1 . 2]" 1
960 1 51 THR H 1 53 LYS H . . 4.350 2.252 2.174 2.296 . 0 0 "[ . 1 . 2]" 1
961 1 51 THR H 1 53 LYS HA . . 5.500 3.655 3.483 3.895 . 0 0 "[ . 1 . 2]" 1
962 1 51 THR HA 1 51 THR MG . . 2.870 2.408 2.188 2.944 0.074 18 0 "[ . 1 . 2]" 1
963 1 51 THR HA 1 52 THR MG . . 5.020 4.683 4.437 4.979 . 0 0 "[ . 1 . 2]" 1
964 1 51 THR HA 1 53 LYS H . . 4.990 4.204 4.027 4.527 . 0 0 "[ . 1 . 2]" 1
965 1 51 THR HB 1 52 THR H . . 3.460 2.169 1.927 3.251 . 0 0 "[ . 1 . 2]" 1
966 1 51 THR HB 1 52 THR MG . . 3.570 2.979 2.659 3.605 0.035 18 0 "[ . 1 . 2]" 1
967 1 51 THR MG 1 52 THR H . . 4.480 2.803 2.037 3.344 . 0 0 "[ . 1 . 2]" 1
968 1 51 THR MG 1 52 THR HA . . 4.360 3.514 3.101 4.000 . 0 0 "[ . 1 . 2]" 1
969 1 51 THR MG 1 52 THR MG . . 3.160 2.553 1.997 3.172 0.012 17 0 "[ . 1 . 2]" 1
970 1 52 THR H 1 52 THR MG . . 3.380 2.054 1.839 2.435 . 0 0 "[ . 1 . 2]" 1
971 1 52 THR H 1 53 LYS H . . 3.670 2.575 1.981 2.818 . 0 0 "[ . 1 . 2]" 1
972 1 52 THR H 1 54 ALA H . . 4.230 3.886 3.451 4.117 . 0 0 "[ . 1 . 2]" 1
973 1 52 THR HA 1 52 THR HB . . 2.710 2.493 2.355 2.638 . 0 0 "[ . 1 . 2]" 1
974 1 52 THR HA 1 52 THR MG . . 3.180 2.525 2.248 3.223 0.043 15 0 "[ . 1 . 2]" 1
975 1 52 THR HB 1 54 ALA H . . 4.190 3.228 2.761 4.149 . 0 0 "[ . 1 . 2]" 1
976 1 52 THR HB 1 54 ALA MB . . 4.310 3.036 2.474 4.057 . 0 0 "[ . 1 . 2]" 1
977 1 52 THR MG 1 53 LYS H . . 4.620 3.819 2.306 4.203 . 0 0 "[ . 1 . 2]" 1
978 1 52 THR MG 1 54 ALA H . . 4.820 3.822 1.953 4.164 . 0 0 "[ . 1 . 2]" 1
979 1 53 LYS H 1 53 LYS HA . . 2.740 2.219 2.212 2.226 . 0 0 "[ . 1 . 2]" 1
980 1 53 LYS H 1 53 LYS HD2 . . 4.050 3.827 3.433 4.063 0.013 15 0 "[ . 1 . 2]" 1
981 1 53 LYS H 1 53 LYS HG3 . . 4.280 4.339 4.289 4.416 0.136 8 0 "[ . 1 . 2]" 1
982 1 53 LYS H 1 54 ALA H . . 3.660 2.557 2.504 2.579 . 0 0 "[ . 1 . 2]" 1
983 1 53 LYS HA 1 53 LYS HD2 . . 3.220 2.435 2.052 2.868 . 0 0 "[ . 1 . 2]" 1
984 1 53 LYS HA 1 53 LYS HD3 . . 3.730 2.944 2.390 3.234 . 0 0 "[ . 1 . 2]" 1
985 1 53 LYS HA 1 53 LYS HG2 . . 4.050 3.185 2.885 3.501 . 0 0 "[ . 1 . 2]" 1
986 1 53 LYS HA 1 53 LYS HG3 . . 4.210 3.286 2.287 3.835 . 0 0 "[ . 1 . 2]" 1
987 1 53 LYS QB 1 53 LYS HD3 . . 3.690 3.056 2.353 3.456 . 0 0 "[ . 1 . 2]" 1
988 1 53 LYS QB 1 53 LYS QE . . 3.130 2.814 2.698 2.908 . 0 0 "[ . 1 . 2]" 1
989 1 53 LYS QB 1 54 ALA H . . 5.500 3.565 3.489 3.688 . 0 0 "[ . 1 . 2]" 1
990 1 53 LYS HD2 1 53 LYS HG2 . . 3.050 2.829 2.794 2.857 . 0 0 "[ . 1 . 2]" 1
991 1 53 LYS QE 1 53 LYS HG2 . . 3.520 2.789 2.184 3.153 . 0 0 "[ . 1 . 2]" 1
992 1 53 LYS QE 1 53 LYS HG3 . . 3.450 2.491 2.132 3.117 . 0 0 "[ . 1 . 2]" 1
993 1 54 ALA H 1 54 ALA MB . . 2.960 2.252 2.121 2.292 . 0 0 "[ . 1 . 2]" 1
994 1 54 ALA HA 1 55 ARG H . . 2.870 2.401 2.314 2.506 . 0 0 "[ . 1 . 2]" 1
995 1 54 ALA HA 1 55 ARG HG3 . . 5.500 3.606 3.341 3.818 . 0 0 "[ . 1 . 2]" 1
996 1 54 ALA MB 1 55 ARG H . . 3.510 2.631 2.416 2.882 . 0 0 "[ . 1 . 2]" 1
997 1 54 ALA MB 1 55 ARG HA . . 5.500 4.084 3.977 4.154 . 0 0 "[ . 1 . 2]" 1
998 1 55 ARG H 1 55 ARG HB3 . . 3.750 3.723 3.671 3.808 0.058 19 0 "[ . 1 . 2]" 1
999 1 55 ARG H 1 55 ARG HG3 . . 4.440 2.948 2.626 3.182 . 0 0 "[ . 1 . 2]" 1
1000 1 55 ARG H 1 56 GLY H . . 4.760 4.460 4.381 4.499 . 0 0 "[ . 1 . 2]" 1
1001 1 55 ARG HA 1 55 ARG HD2 . . 5.500 4.346 4.190 4.503 . 0 0 "[ . 1 . 2]" 1
1002 1 55 ARG HA 1 55 ARG HD3 . . 5.500 4.870 4.712 4.981 . 0 0 "[ . 1 . 2]" 1
1003 1 55 ARG HA 1 55 ARG HG2 . . 3.430 3.182 3.012 3.412 . 0 0 "[ . 1 . 2]" 1
1004 1 55 ARG HA 1 55 ARG HG3 . . 3.540 2.513 2.398 2.665 . 0 0 "[ . 1 . 2]" 1
1005 1 55 ARG HA 1 56 GLY H . . 3.180 2.287 2.277 2.292 . 0 0 "[ . 1 . 2]" 1
1006 1 55 ARG HB2 1 55 ARG HD2 . . 3.740 2.062 1.969 2.526 . 0 0 "[ . 1 . 2]" 1
1007 1 55 ARG HB2 1 55 ARG HD3 . . 3.650 3.011 2.372 3.230 . 0 0 "[ . 1 . 2]" 1
1008 1 55 ARG HB2 1 56 GLY H . . 4.100 4.064 3.946 4.136 0.036 1 0 "[ . 1 . 2]" 1
1009 1 55 ARG HB3 1 55 ARG HD2 . . 3.460 3.300 3.142 3.717 0.257 17 0 "[ . 1 . 2]" 1
1010 1 55 ARG HB3 1 55 ARG HD3 . . 3.560 3.472 2.990 3.681 0.121 12 0 "[ . 1 . 2]" 1
1011 1 55 ARG HB3 1 55 ARG HG3 . . 2.870 2.904 2.821 2.974 0.104 13 0 "[ . 1 . 2]" 1
1012 1 55 ARG HB3 1 56 GLY H . . 4.960 3.128 3.099 3.206 . 0 0 "[ . 1 . 2]" 1
1013 1 55 ARG HE 1 55 ARG HG2 . . 3.880 3.059 2.467 3.356 . 0 0 "[ . 1 . 2]" 1
1014 1 55 ARG HE 1 55 ARG HG3 . . 3.480 2.168 2.060 2.603 . 0 0 "[ . 1 . 2]" 1
1015 1 55 ARG HG2 1 56 GLY H . . 5.240 4.764 4.535 5.054 . 0 0 "[ . 1 . 2]" 1
1016 1 56 GLY H 1 57 TRP H . . 5.370 4.336 4.289 4.373 . 0 0 "[ . 1 . 2]" 1
1017 1 56 GLY HA2 1 57 TRP H . . 3.310 2.754 2.694 2.819 . 0 0 "[ . 1 . 2]" 1
1018 1 56 GLY HA2 1 57 TRP HD1 . . 5.500 3.933 3.553 4.412 . 0 0 "[ . 1 . 2]" 1
1019 1 57 TRP H 1 57 TRP HB2 . . 3.670 2.427 2.376 2.459 . 0 0 "[ . 1 . 2]" 1
1020 1 57 TRP H 1 57 TRP HD1 . . 4.090 3.440 3.150 3.833 . 0 0 "[ . 1 . 2]" 1
1021 1 57 TRP HA 1 57 TRP HE3 . . 4.440 2.841 2.515 3.134 . 0 0 "[ . 1 . 2]" 1
1022 1 57 TRP HA 1 58 PHE H . . 3.190 2.248 2.240 2.250 . 0 0 "[ . 1 . 2]" 1
1023 1 57 TRP HA 1 58 PHE QD . . 4.540 3.658 3.299 4.015 . 0 0 "[ . 1 . 2]" 1
1024 1 57 TRP HB2 1 58 PHE H . . 4.610 4.286 4.246 4.345 . 0 0 "[ . 1 . 2]" 1
1025 1 57 TRP HB3 1 57 TRP HE3 . . 3.590 2.634 2.510 2.802 . 0 0 "[ . 1 . 2]" 1
1026 1 57 TRP HB3 1 58 PHE H . . 3.760 3.225 3.202 3.267 . 0 0 "[ . 1 . 2]" 1
1027 1 57 TRP HE3 1 58 PHE H . . 4.610 3.190 2.676 3.564 . 0 0 "[ . 1 . 2]" 1
1028 1 58 PHE H 1 58 PHE QD . . 4.160 3.024 2.822 3.174 . 0 0 "[ . 1 . 2]" 1
1029 1 58 PHE HA 1 59 PRO HD2 . . 3.710 2.675 2.664 2.722 . 0 0 "[ . 1 . 2]" 1
1030 1 58 PHE HA 1 59 PRO HD3 . . 3.210 1.982 1.976 2.005 . 0 0 "[ . 1 . 2]" 1
1031 1 58 PHE HB2 1 59 PRO HD2 . . 3.610 2.292 2.215 2.332 . 0 0 "[ . 1 . 2]" 1
1032 1 58 PHE HB2 1 59 PRO HD3 . . 3.960 3.304 3.252 3.352 . 0 0 "[ . 1 . 2]" 1
1033 1 58 PHE HB2 1 63 THR MG . . 5.500 3.097 2.927 3.289 . 0 0 "[ . 1 . 2]" 1
1034 1 58 PHE HB3 1 59 PRO HD2 . . 4.670 3.610 3.425 3.808 . 0 0 "[ . 1 . 2]" 1
1035 1 58 PHE HB3 1 59 PRO HD3 . . 4.820 4.006 3.848 4.177 . 0 0 "[ . 1 . 2]" 1
1036 1 58 PHE QD 1 59 PRO HB2 . . 5.500 5.269 4.722 5.518 0.018 19 0 "[ . 1 . 2]" 1
1037 1 58 PHE QD 1 59 PRO HD2 . . 4.180 3.715 3.270 3.948 . 0 0 "[ . 1 . 2]" 1
1038 1 58 PHE QD 1 60 SER HA . . 4.980 3.113 2.904 3.242 . 0 0 "[ . 1 . 2]" 1
1039 1 58 PHE QD 1 62 TYR H . . 5.040 4.473 3.991 4.778 . 0 0 "[ . 1 . 2]" 1
1040 1 58 PHE QD 1 62 TYR HB2 . . 5.500 4.136 3.674 4.374 . 0 0 "[ . 1 . 2]" 1
1041 1 58 PHE QD 1 63 THR MG . . 3.380 2.598 2.275 2.968 . 0 0 "[ . 1 . 2]" 1
1042 1 58 PHE QE 1 60 SER HA . . 4.680 3.064 2.069 3.685 . 0 0 "[ . 1 . 2]" 1
1043 1 58 PHE QE 1 63 THR MG . . 3.280 3.083 2.916 3.293 0.013 20 0 "[ . 1 . 2]" 1
1044 1 58 PHE HZ 1 63 THR MG . . 5.500 4.189 3.727 4.533 . 0 0 "[ . 1 . 2]" 1
1045 1 59 PRO HA 1 60 SER H . . 3.090 2.150 2.149 2.154 . 0 0 "[ . 1 . 2]" 1
1046 1 59 PRO HA 1 60 SER HB3 . . 5.500 4.413 4.142 4.510 . 0 0 "[ . 1 . 2]" 1
1047 1 59 PRO HA 1 61 SER H . . 5.040 3.480 3.391 3.527 . 0 0 "[ . 1 . 2]" 1
1048 1 59 PRO HB2 1 60 SER H . . 4.620 3.778 3.701 3.913 . 0 0 "[ . 1 . 2]" 1
1049 1 59 PRO HB2 1 61 SER H . . 4.620 2.596 2.499 2.709 . 0 0 "[ . 1 . 2]" 1
1050 1 59 PRO HB2 1 62 TYR H . . 4.300 2.669 2.567 2.767 . 0 0 "[ . 1 . 2]" 1
1051 1 59 PRO HB2 1 62 TYR HB2 . . 5.500 3.201 3.050 3.490 . 0 0 "[ . 1 . 2]" 1
1052 1 59 PRO HB2 1 62 TYR QD . . 4.290 3.129 2.700 3.902 . 0 0 "[ . 1 . 2]" 1
1053 1 59 PRO HB2 1 62 TYR QE . . 5.500 4.643 4.440 5.058 . 0 0 "[ . 1 . 2]" 1
1054 1 59 PRO HB3 1 61 SER H . . 5.050 3.908 3.858 3.933 . 0 0 "[ . 1 . 2]" 1
1055 1 59 PRO HB3 1 62 TYR H . . 5.470 4.305 4.240 4.389 . 0 0 "[ . 1 . 2]" 1
1056 1 59 PRO HB3 1 62 TYR QD . . 5.500 4.480 4.064 5.013 . 0 0 "[ . 1 . 2]" 1
1057 1 59 PRO HD2 1 62 TYR HB2 . . 5.500 2.444 2.336 2.685 . 0 0 "[ . 1 . 2]" 1
1058 1 59 PRO HG2 1 62 TYR H . . 4.580 3.045 2.999 3.151 . 0 0 "[ . 1 . 2]" 1
1059 1 59 PRO HG2 1 62 TYR HB2 . . 4.460 2.020 1.980 2.333 . 0 0 "[ . 1 . 2]" 1
1060 1 59 PRO HG2 1 62 TYR QD . . 5.500 2.647 2.333 2.858 . 0 0 "[ . 1 . 2]" 1
1061 1 59 PRO HG2 1 62 TYR QE . . 3.930 3.837 3.720 3.940 0.010 4 0 "[ . 1 . 2]" 1
1062 1 59 PRO HG3 1 62 TYR H . . 5.500 4.566 4.527 4.661 . 0 0 "[ . 1 . 2]" 1
1063 1 60 SER H 1 60 SER HB3 . . 3.820 2.307 2.031 2.401 . 0 0 "[ . 1 . 2]" 1
1064 1 60 SER H 1 61 SER H . . 3.930 2.787 2.765 2.795 . 0 0 "[ . 1 . 2]" 1
1065 1 60 SER H 1 61 SER HA . . 5.500 5.244 5.213 5.252 . 0 0 "[ . 1 . 2]" 1
1066 1 60 SER H 1 62 TYR H . . 5.140 4.270 4.195 4.306 . 0 0 "[ . 1 . 2]" 1
1067 1 60 SER HA 1 60 SER HB2 . . 2.860 2.407 2.256 2.460 . 0 0 "[ . 1 . 2]" 1
1068 1 60 SER HA 1 62 TYR H . . 5.500 3.965 3.833 4.011 . 0 0 "[ . 1 . 2]" 1
1069 1 60 SER HA 1 63 THR H . . 4.700 3.616 3.295 3.678 . 0 0 "[ . 1 . 2]" 1
1070 1 60 SER HA 1 63 THR HG1 . . 4.060 2.266 2.017 2.453 . 0 0 "[ . 1 . 2]" 1
1071 1 60 SER HA 1 63 THR MG . . 4.770 3.834 3.705 4.016 . 0 0 "[ . 1 . 2]" 1
1072 1 60 SER HB2 1 61 SER H . . 4.930 4.220 4.143 4.434 . 0 0 "[ . 1 . 2]" 1
1073 1 60 SER HB3 1 61 SER H . . 5.500 4.012 3.163 4.157 . 0 0 "[ . 1 . 2]" 1
1074 1 61 SER H 1 61 SER HB2 . . 4.100 2.115 2.034 3.476 . 0 0 "[ . 1 . 2]" 1
1075 1 61 SER H 1 61 SER HB3 . . 3.890 3.134 2.191 3.316 . 0 0 "[ . 1 . 2]" 1
1076 1 61 SER H 1 62 TYR H . . 4.000 2.511 2.503 2.516 . 0 0 "[ . 1 . 2]" 1
1077 1 61 SER HA 1 61 SER HB2 . . 2.940 2.836 2.307 2.935 . 0 0 "[ . 1 . 2]" 1
1078 1 61 SER HA 1 61 SER HB3 . . 2.930 2.885 2.680 2.945 0.015 11 0 "[ . 1 . 2]" 1
1079 1 61 SER HA 1 63 THR H . . 4.350 3.475 3.432 3.663 . 0 0 "[ . 1 . 2]" 1
1080 1 62 TYR H 1 62 TYR HB2 . . 3.410 1.969 1.942 1.999 . 0 0 "[ . 1 . 2]" 1
1081 1 62 TYR H 1 62 TYR HB3 . . 3.860 3.305 3.275 3.337 . 0 0 "[ . 1 . 2]" 1
1082 1 62 TYR H 1 62 TYR QD . . 4.150 2.708 2.581 3.033 . 0 0 "[ . 1 . 2]" 1
1083 1 62 TYR H 1 62 TYR QE . . 5.500 5.036 4.956 5.146 . 0 0 "[ . 1 . 2]" 1
1084 1 62 TYR H 1 63 THR H . . 3.370 2.642 2.488 2.681 . 0 0 "[ . 1 . 2]" 1
1085 1 62 TYR H 1 63 THR HG1 . . 5.500 4.058 3.062 4.844 . 0 0 "[ . 1 . 2]" 1
1086 1 62 TYR H 1 63 THR MG . . 5.500 3.730 3.560 3.965 . 0 0 "[ . 1 . 2]" 1
1087 1 62 TYR HA 1 62 TYR QD . . 3.580 2.648 2.045 2.956 . 0 0 "[ . 1 . 2]" 1
1088 1 62 TYR HB2 1 63 THR H . . 4.710 3.757 3.445 3.794 . 0 0 "[ . 1 . 2]" 1
1089 1 62 TYR HB2 1 63 THR MG . . 4.700 3.186 3.033 3.388 . 0 0 "[ . 1 . 2]" 1
1090 1 62 TYR HB3 1 63 THR MG . . 4.250 2.884 2.798 2.971 . 0 0 "[ . 1 . 2]" 1
1091 1 63 THR H 1 63 THR HG1 . . 3.460 2.626 1.973 3.237 . 0 0 "[ . 1 . 2]" 1
1092 1 63 THR H 1 63 THR MG . . 3.900 3.085 2.885 3.248 . 0 0 "[ . 1 . 2]" 1
1093 1 63 THR HA 1 63 THR MG . . 3.180 2.383 2.323 2.438 . 0 0 "[ . 1 . 2]" 1
1094 1 63 THR HA 1 64 LYS H . . 3.080 2.323 2.312 2.356 . 0 0 "[ . 1 . 2]" 1
1095 1 63 THR HB 1 64 LYS H . . 3.270 2.856 2.768 2.892 . 0 0 "[ . 1 . 2]" 1
1096 1 63 THR HB 1 64 LYS HA . . 5.500 4.484 4.399 4.530 . 0 0 "[ . 1 . 2]" 1
1097 1 63 THR HG1 1 64 LYS H . . 5.010 4.430 4.097 4.960 . 0 0 "[ . 1 . 2]" 1
1098 1 63 THR MG 1 64 LYS H . . 3.880 3.824 3.673 3.898 0.018 16 0 "[ . 1 . 2]" 1
1099 1 64 LYS H 1 64 LYS QB . . 3.760 2.854 2.654 3.191 . 0 0 "[ . 1 . 2]" 1
1100 1 64 LYS H 1 64 LYS HG3 . . 3.980 2.967 2.190 3.355 . 0 0 "[ . 1 . 2]" 1
1101 1 64 LYS HA 1 64 LYS HG2 . . 4.260 2.809 2.296 3.838 . 0 0 "[ . 1 . 2]" 1
1102 1 64 LYS HA 1 65 LEU H . . 3.070 2.381 2.334 2.434 . 0 0 "[ . 1 . 2]" 1
1103 1 64 LYS HA 1 65 LEU HB2 . . 5.500 4.509 4.447 4.594 . 0 0 "[ . 1 . 2]" 1
1104 1 64 LYS QB 1 65 LEU H . . 3.180 2.661 2.537 2.777 . 0 0 "[ . 1 . 2]" 1
1105 1 64 LYS HE2 1 64 LYS HG2 . . 4.230 2.852 1.999 3.706 . 0 0 "[ . 1 . 2]" 1
1106 1 64 LYS HE3 1 64 LYS HG2 . . 3.400 2.847 2.053 4.282 0.882 2 2 "[ + . 1- . 2]" 1
1107 1 64 LYS HG2 1 65 LEU H . . 5.130 4.627 4.176 5.260 0.130 17 0 "[ . 1 . 2]" 1
1108 1 65 LEU H 1 65 LEU HB2 . . 3.150 2.195 2.164 2.248 . 0 0 "[ . 1 . 2]" 1
1109 1 65 LEU H 1 65 LEU QD . . 3.630 2.922 2.369 3.085 . 0 0 "[ . 1 . 2]" 1
1110 1 65 LEU H 1 65 LEU HG . . 3.640 3.024 3.003 3.067 . 0 0 "[ . 1 . 2]" 1
1111 1 65 LEU HA 1 65 LEU QD . . 3.310 2.493 1.840 2.690 . 0 0 "[ . 1 . 2]" 1
1112 1 65 LEU HA 1 65 LEU HG . . 3.550 2.604 2.416 3.546 . 0 0 "[ . 1 . 2]" 1
1113 1 65 LEU HA 1 66 LEU H . . 2.690 2.210 2.198 2.222 . 0 0 "[ . 1 . 2]" 1
1114 1 65 LEU HA 1 66 LEU HB2 . . 5.430 4.559 4.506 4.633 . 0 0 "[ . 1 . 2]" 1
1115 1 65 LEU HA 1 66 LEU MD2 . . 3.930 3.650 3.472 3.970 0.040 13 0 "[ . 1 . 2]" 1
1116 1 65 LEU HB2 1 65 LEU QD . . 3.010 2.151 2.056 2.591 . 0 0 "[ . 1 . 2]" 1
1117 1 65 LEU HB2 1 66 LEU H . . 4.340 4.367 4.345 4.406 0.066 16 0 "[ . 1 . 2]" 1
1118 1 65 LEU QD 1 66 LEU H . . 4.100 3.368 3.297 3.475 . 0 0 "[ . 1 . 2]" 1
1119 1 65 LEU HG 1 66 LEU H . . 5.500 4.620 4.428 5.421 . 0 0 "[ . 1 . 2]" 1
1120 1 66 LEU H 1 66 LEU HB2 . . 3.440 2.369 2.306 2.438 . 0 0 "[ . 1 . 2]" 1
1121 1 66 LEU H 1 66 LEU HB3 . . 3.590 3.525 3.519 3.536 . 0 0 "[ . 1 . 2]" 1
1122 1 66 LEU H 1 66 LEU MD2 . . 3.680 2.601 2.359 3.007 . 0 0 "[ . 1 . 2]" 1
1123 1 66 LEU H 1 66 LEU HG . . 3.800 2.571 2.418 2.686 . 0 0 "[ . 1 . 2]" 1
1124 1 66 LEU HA 1 66 LEU MD1 . . 3.700 3.557 3.448 3.694 . 0 0 "[ . 1 . 2]" 1
1125 1 66 LEU HA 1 66 LEU MD2 . . 3.080 1.880 1.860 1.914 . 0 0 "[ . 1 . 2]" 1
1126 1 66 LEU HA 1 66 LEU HG . . 3.840 3.417 3.298 3.482 . 0 0 "[ . 1 . 2]" 1
1127 1 66 LEU HA 1 67 SER H . . 3.250 2.583 2.511 2.807 . 0 0 "[ . 1 . 2]" 1
1128 1 66 LEU HB2 1 66 LEU MD1 . . 3.430 2.682 2.577 2.759 . 0 0 "[ . 1 . 2]" 1
1129 1 66 LEU HB2 1 66 LEU MD2 . . 3.090 3.133 3.080 3.191 0.101 20 0 "[ . 1 . 2]" 1
1130 1 66 LEU HB2 1 66 LEU HG . . 2.400 2.282 2.245 2.336 . 0 0 "[ . 1 . 2]" 1
1131 1 66 LEU HB2 1 67 SER H . . 3.640 3.526 3.073 3.648 0.008 9 0 "[ . 1 . 2]" 1
1132 1 66 LEU HB3 1 66 LEU MD1 . . 2.730 2.023 1.953 2.126 . 0 0 "[ . 1 . 2]" 1
1133 1 66 LEU HB3 1 67 SER H . . 3.930 2.253 1.918 2.389 . 0 0 "[ . 1 . 2]" 1
1134 1 66 LEU HB3 1 68 GLY H . . 4.700 4.368 3.916 4.739 0.039 2 0 "[ . 1 . 2]" 1
1135 1 66 LEU MD1 1 67 SER H . . 4.300 3.765 3.514 4.009 . 0 0 "[ . 1 . 2]" 1
1136 1 66 LEU MD2 1 67 SER H . . 4.340 3.522 3.255 3.777 . 0 0 "[ . 1 . 2]" 1
1137 1 67 SER H 1 67 SER HB2 . . 3.460 3.016 2.521 4.058 0.598 2 1 "[ + . 1 . 2]" 1
1138 1 67 SER HA 1 67 SER HB2 . . 2.930 2.906 2.447 3.051 0.121 14 0 "[ . 1 . 2]" 1
1139 1 67 SER HA 1 67 SER HB3 . . 2.660 2.574 2.298 2.695 0.035 6 0 "[ . 1 . 2]" 1
1140 1 67 SER HA 1 68 GLY H . . 3.580 2.328 2.260 2.545 . 0 0 "[ . 1 . 2]" 1
1141 1 67 SER HB3 1 68 GLY H . . 4.280 4.218 3.978 4.687 0.407 18 0 "[ . 1 . 2]" 1
1142 1 68 GLY H 1 69 PRO HD3 . . 5.470 4.618 4.140 4.819 . 0 0 "[ . 1 . 2]" 1
1143 1 68 GLY HA2 1 69 PRO HD3 . . 3.130 2.296 1.941 2.809 . 0 0 "[ . 1 . 2]" 1
1144 1 68 GLY HA3 1 69 PRO HD2 . . 3.170 2.544 2.199 2.979 . 0 0 "[ . 1 . 2]" 1
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