NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
430270 |
2jny   |
15133 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jny
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 809
_Distance_constraint_stats_list.Viol_count 674
_Distance_constraint_stats_list.Viol_total 1352.501
_Distance_constraint_stats_list.Viol_max 0.863
_Distance_constraint_stats_list.Viol_rms 0.0342
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0042
_Distance_constraint_stats_list.Viol_average_violations_only 0.1003
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 SER 2.638 0.453 7 0 "[ . 1 . 2]"
1 3 LEU 2.800 0.453 7 0 "[ . 1 . 2]"
1 4 ASP 1.671 0.274 2 0 "[ . 1 . 2]"
1 5 PRO 0.011 0.007 11 0 "[ . 1 . 2]"
1 6 GLN 0.187 0.078 7 0 "[ . 1 . 2]"
1 7 LEU 0.171 0.078 20 0 "[ . 1 . 2]"
1 8 LEU 2.506 0.527 6 1 "[ .+ 1 . 2]"
1 9 GLU 0.056 0.013 14 0 "[ . 1 . 2]"
1 10 VAL 0.277 0.019 9 0 "[ . 1 . 2]"
1 11 LEU 3.406 0.473 15 0 "[ . 1 . 2]"
1 12 ALA 2.626 0.189 4 0 "[ . 1 . 2]"
1 13 CYS 0.375 0.059 14 0 "[ . 1 . 2]"
1 14 PRO 0.166 0.051 17 0 "[ . 1 . 2]"
1 15 LYS 5.878 0.658 9 4 "[ . * +1 . * -]"
1 16 ASP 4.134 0.592 17 1 "[ . 1 . + 2]"
1 17 LYS 0.749 0.107 5 0 "[ . 1 . 2]"
1 18 GLY 0.073 0.035 4 0 "[ . 1 . 2]"
1 19 PRO 0.003 0.003 8 0 "[ . 1 . 2]"
1 20 LEU 0.154 0.037 13 0 "[ . 1 . 2]"
1 21 ARG 2.224 0.863 5 2 "[ -+ 1 . 2]"
1 22 TYR 4.408 0.863 5 3 "[ *+- 1 . 2]"
1 23 LEU 1.235 0.118 13 0 "[ . 1 . 2]"
1 24 GLU 3.911 0.815 5 2 "[ + 1 -. 2]"
1 25 SER 3.931 0.611 5 1 "[ + 1 . 2]"
1 26 GLU 4.042 0.766 16 2 "[ . 1 .+- 2]"
1 27 GLN 0.844 0.193 18 0 "[ . 1 . 2]"
1 28 LEU 5.529 0.766 16 2 "[ . 1 .+- 2]"
1 29 LEU 2.187 0.191 10 0 "[ . 1 . 2]"
1 30 VAL 0.356 0.070 3 0 "[ . 1 . 2]"
1 31 ASN 0.322 0.123 4 0 "[ . 1 . 2]"
1 32 GLU 2.211 0.555 10 4 "[ - . * + . *2]"
1 33 ARG 0.653 0.256 4 0 "[ . 1 . 2]"
1 34 LEU 4.099 0.658 9 3 "[ . * +1 . -]"
1 35 ASN 0.056 0.028 19 0 "[ . 1 . 2]"
1 36 LEU 0.247 0.123 4 0 "[ . 1 . 2]"
1 37 ALA 0.474 0.089 18 0 "[ . 1 . 2]"
1 38 TYR 1.863 0.191 10 0 "[ . 1 . 2]"
1 39 ARG 8.680 0.591 3 3 "[* + . - 1 . 2]"
1 40 ILE 8.137 0.591 3 3 "[* + . - 1 . 2]"
1 41 ASP 0.269 0.063 15 0 "[ . 1 . 2]"
1 42 ASP 0.418 0.058 7 0 "[ . 1 . 2]"
1 43 GLY 0.173 0.058 7 0 "[ . 1 . 2]"
1 44 ILE 0.306 0.063 15 0 "[ . 1 . 2]"
1 45 PRO 0.860 0.473 15 0 "[ . 1 . 2]"
1 46 VAL 0.043 0.024 1 0 "[ . 1 . 2]"
1 47 LEU 0.465 0.128 17 0 "[ . 1 . 2]"
1 48 LEU 4.610 0.442 9 0 "[ . 1 . 2]"
1 49 ILE 0.190 0.051 17 0 "[ . 1 . 2]"
1 50 ASP 3.253 0.442 9 0 "[ . 1 . 2]"
1 51 GLU 1.069 0.375 8 0 "[ . 1 . 2]"
1 52 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 THR 1.790 0.138 15 0 "[ . 1 . 2]"
1 54 GLU 1.210 0.138 15 0 "[ . 1 . 2]"
1 55 TRP 0.697 0.124 2 0 "[ . 1 . 2]"
1 56 THR 1.927 0.125 20 0 "[ . 1 . 2]"
1 57 PRO 0.189 0.166 11 0 "[ . 1 . 2]"
1 58 ASN 1.777 0.304 7 0 "[ . 1 . 2]"
1 59 ASN 6.324 0.442 10 0 "[ . 1 . 2]"
1 60 LEU 6.075 0.442 10 0 "[ . 1 . 2]"
1 61 GLU 0.147 0.147 5 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 SER H 1 2 SER HB2 2.910 . 4.020 3.111 2.451 3.683 . 0 0 "[ . 1 . 2]" 1
2 1 2 SER H 1 2 SER QB 2.770 . 3.740 2.874 2.414 3.433 . 0 0 "[ . 1 . 2]" 1
3 1 2 SER H 1 2 SER HB3 2.910 . 4.020 3.657 2.625 4.101 0.081 9 0 "[ . 1 . 2]" 1
4 1 2 SER HA 1 3 LEU H 2.390 . 2.980 2.362 2.096 2.910 . 0 0 "[ . 1 . 2]" 1
5 1 2 SER HB2 1 3 LEU H 2.910 . 4.020 3.815 2.878 4.463 0.443 5 0 "[ . 1 . 2]" 1
6 1 2 SER HB3 1 3 LEU H 2.910 . 4.020 3.306 1.854 4.473 0.453 7 0 "[ . 1 . 2]" 1
7 1 3 LEU H 1 3 LEU MD1 3.800 . 5.800 3.640 2.016 4.387 . 0 0 "[ . 1 . 2]" 1
8 1 3 LEU H 1 3 LEU MD2 4.010 . 6.230 3.782 2.140 5.024 . 0 0 "[ . 1 . 2]" 1
9 1 3 LEU H 1 3 LEU HG 3.320 . 4.850 4.459 3.625 4.882 0.032 16 0 "[ . 1 . 2]" 1
10 1 3 LEU HA 1 3 LEU MD1 3.110 . 4.430 2.316 1.828 3.558 . 0 0 "[ . 1 . 2]" 1
11 1 3 LEU HA 1 3 LEU MD2 3.130 . 4.460 3.226 1.863 3.904 . 0 0 "[ . 1 . 2]" 1
12 1 3 LEU HA 1 4 ASP H 2.190 . 2.580 2.329 2.114 2.697 0.117 8 0 "[ . 1 . 2]" 1
13 1 3 LEU MD1 1 4 ASP H 3.360 . 4.930 3.125 2.122 4.691 . 0 0 "[ . 1 . 2]" 1
14 1 3 LEU MD2 1 4 ASP H 4.370 . 6.950 3.999 2.453 4.865 . 0 0 "[ . 1 . 2]" 1
15 1 3 LEU HG 1 4 ASP H 3.860 . 5.930 3.878 1.784 5.793 0.006 9 0 "[ . 1 . 2]" 1
16 1 4 ASP H 1 4 ASP HB2 2.370 . 2.940 2.969 2.745 3.214 0.274 2 0 "[ . 1 . 2]" 1
17 1 4 ASP H 1 4 ASP HB3 2.370 . 2.940 2.771 2.615 2.911 . 0 0 "[ . 1 . 2]" 1
18 1 4 ASP H 1 7 LEU QB 4.270 . 6.740 5.044 4.503 5.726 . 0 0 "[ . 1 . 2]" 1
19 1 4 ASP H 1 7 LEU MD1 3.560 . 5.330 4.967 3.966 5.353 0.023 13 0 "[ . 1 . 2]" 1
20 1 4 ASP HA 1 5 PRO HD2 2.310 . 2.830 2.302 1.888 2.625 . 0 0 "[ . 1 . 2]" 1
21 1 4 ASP HA 1 5 PRO QD 2.200 . 2.610 1.981 1.858 2.049 . 0 0 "[ . 1 . 2]" 1
22 1 4 ASP HA 1 5 PRO HD3 2.310 . 2.830 2.350 2.040 2.773 . 0 0 "[ . 1 . 2]" 1
23 1 4 ASP QB 1 7 LEU H 3.130 . 4.470 3.445 3.172 4.097 . 0 0 "[ . 1 . 2]" 1
24 1 4 ASP QB 1 7 LEU MD1 3.410 . 5.020 2.760 2.162 3.714 . 0 0 "[ . 1 . 2]" 1
25 1 4 ASP HB2 1 7 LEU QB 4.340 . 6.880 4.773 4.161 6.248 . 0 0 "[ . 1 . 2]" 1
26 1 4 ASP HB3 1 7 LEU QB 4.340 . 6.880 3.217 2.614 4.853 . 0 0 "[ . 1 . 2]" 1
27 1 5 PRO HA 1 6 GLN H 2.640 . 3.480 3.365 3.242 3.487 0.007 11 0 "[ . 1 . 2]" 1
28 1 5 PRO HA 1 8 LEU H 2.840 . 3.880 3.385 3.123 3.701 . 0 0 "[ . 1 . 2]" 1
29 1 5 PRO HA 1 8 LEU QB 2.670 . 3.330 2.478 2.067 2.932 . 0 0 "[ . 1 . 2]" 1
30 1 5 PRO HA 1 8 LEU MD1 3.130 . 4.460 2.499 1.904 3.817 . 0 0 "[ . 1 . 2]" 1
31 1 5 PRO QB 1 6 GLN H 3.050 . 4.300 3.467 2.966 3.805 . 0 0 "[ . 1 . 2]" 1
32 1 5 PRO QD 1 6 GLN H 3.260 . 4.720 2.858 2.606 3.393 . 0 0 "[ . 1 . 2]" 1
33 1 5 PRO HD2 1 6 GLN H 3.590 . 5.390 2.934 2.662 3.552 . 0 0 "[ . 1 . 2]" 1
34 1 5 PRO HD3 1 6 GLN H 3.590 . 5.390 3.951 3.705 4.305 . 0 0 "[ . 1 . 2]" 1
35 1 5 PRO QG 1 6 GLN H 3.380 . 4.970 3.726 2.723 4.511 . 0 0 "[ . 1 . 2]" 1
36 1 5 PRO HG2 1 6 GLN H 3.500 . 5.210 4.003 2.759 5.076 . 0 0 "[ . 1 . 2]" 1
37 1 5 PRO HG3 1 6 GLN H 3.500 . 5.210 4.654 4.186 5.052 . 0 0 "[ . 1 . 2]" 1
38 1 6 GLN H 1 6 GLN QB 2.810 . 3.820 2.318 2.173 2.603 . 0 0 "[ . 1 . 2]" 1
39 1 6 GLN H 1 6 GLN HG2 3.200 . 4.600 3.934 2.237 4.621 0.021 2 0 "[ . 1 . 2]" 1
40 1 6 GLN H 1 6 GLN QG 3.130 . 4.460 3.446 2.103 4.083 . 0 0 "[ . 1 . 2]" 1
41 1 6 GLN H 1 6 GLN HG3 3.200 . 4.600 4.036 2.130 4.678 0.078 7 0 "[ . 1 . 2]" 1
42 1 6 GLN H 1 7 LEU H 2.400 . 3.010 2.464 2.173 2.683 . 0 0 "[ . 1 . 2]" 1
43 1 6 GLN H 1 8 LEU H 3.250 . 4.700 3.673 3.319 4.096 . 0 0 "[ . 1 . 2]" 1
44 1 6 GLN HA 1 6 GLN QE 3.550 . 5.310 3.888 2.299 4.921 . 0 0 "[ . 1 . 2]" 1
45 1 7 LEU H 1 7 LEU MD1 4.030 . 6.260 3.525 2.159 3.759 . 0 0 "[ . 1 . 2]" 1
46 1 7 LEU H 1 7 LEU MD2 4.140 . 6.480 3.484 3.268 4.083 . 0 0 "[ . 1 . 2]" 1
47 1 7 LEU H 1 7 LEU HG 2.820 . 3.840 2.566 2.227 3.918 0.078 20 0 "[ . 1 . 2]" 1
48 1 7 LEU H 1 8 LEU H 2.280 . 2.760 2.543 2.439 2.735 . 0 0 "[ . 1 . 2]" 1
49 1 7 LEU HA 1 7 LEU MD1 3.090 . 4.390 3.749 2.731 3.886 . 0 0 "[ . 1 . 2]" 1
50 1 7 LEU HA 1 7 LEU MD2 3.110 . 4.430 2.185 1.928 3.754 . 0 0 "[ . 1 . 2]" 1
51 1 7 LEU HA 1 7 LEU HG 2.710 . 3.620 3.029 2.445 3.169 . 0 0 "[ . 1 . 2]" 1
52 1 7 LEU QB 1 8 LEU H 3.060 . 4.330 3.134 2.664 3.615 . 0 0 "[ . 1 . 2]" 1
53 1 7 LEU MD2 1 8 LEU H 4.300 . 6.800 4.735 4.575 5.531 . 0 0 "[ . 1 . 2]" 1
54 1 8 LEU H 1 8 LEU QB 2.760 . 3.360 2.487 2.397 2.666 . 0 0 "[ . 1 . 2]" 1
55 1 8 LEU H 1 8 LEU MD1 3.650 . 5.510 3.860 3.675 4.276 . 0 0 "[ . 1 . 2]" 1
56 1 8 LEU H 1 8 LEU MD2 3.650 . 5.510 3.587 3.345 4.038 . 0 0 "[ . 1 . 2]" 1
57 1 8 LEU H 1 8 LEU HG 2.800 . 3.800 2.698 2.380 3.399 . 0 0 "[ . 1 . 2]" 1
58 1 8 LEU HA 1 8 LEU MD1 3.000 . 4.210 3.860 3.836 3.879 . 0 0 "[ . 1 . 2]" 1
59 1 8 LEU HA 1 8 LEU MD2 2.910 . 4.030 2.019 1.954 2.063 . 0 0 "[ . 1 . 2]" 1
60 1 8 LEU HA 1 8 LEU HG 2.760 . 3.730 3.114 2.999 3.161 . 0 0 "[ . 1 . 2]" 1
61 1 8 LEU HA 1 9 GLU H 2.670 . 3.550 3.258 2.125 3.563 0.013 14 0 "[ . 1 . 2]" 1
62 1 8 LEU HA 1 11 LEU MD1 3.380 . 4.970 3.832 2.421 4.639 . 0 0 "[ . 1 . 2]" 1
63 1 8 LEU HA 1 11 LEU HG 3.450 . 5.100 4.663 3.520 5.148 0.048 13 0 "[ . 1 . 2]" 1
64 1 8 LEU QB 1 9 GLU H 3.020 . 3.840 2.610 1.878 3.557 . 0 0 "[ . 1 . 2]" 1
65 1 8 LEU MD1 1 22 TYR QD 5.060 . 8.320 4.838 3.669 5.834 . 0 0 "[ . 1 . 2]" 1
66 1 8 LEU MD2 1 22 TYR HB2 3.470 . 5.150 4.617 3.416 5.677 0.527 6 1 "[ .+ 1 . 2]" 1
67 1 8 LEU MD2 1 22 TYR HB3 4.190 . 6.590 4.849 3.484 6.201 . 0 0 "[ . 1 . 2]" 1
68 1 8 LEU MD2 1 22 TYR QD 5.130 . 8.460 3.863 3.058 5.048 . 0 0 "[ . 1 . 2]" 1
69 1 9 GLU H 1 9 GLU HA 2.370 . 2.940 2.394 2.246 2.946 0.006 8 0 "[ . 1 . 2]" 1
70 1 9 GLU H 1 9 GLU HG2 3.360 . 4.920 3.540 2.893 4.824 . 0 0 "[ . 1 . 2]" 1
71 1 9 GLU H 1 9 GLU QG 3.290 . 4.780 3.157 2.783 4.195 . 0 0 "[ . 1 . 2]" 1
72 1 9 GLU H 1 9 GLU HG3 3.360 . 4.920 3.894 2.979 4.843 . 0 0 "[ . 1 . 2]" 1
73 1 9 GLU HA 1 10 VAL H 2.480 . 3.160 2.677 2.326 2.845 . 0 0 "[ . 1 . 2]" 1
74 1 9 GLU HA 1 10 VAL MG2 3.180 . 4.570 3.564 3.412 3.795 . 0 0 "[ . 1 . 2]" 1
75 1 9 GLU QB 1 10 VAL MG2 4.070 . 6.350 3.888 3.284 4.787 . 0 0 "[ . 1 . 2]" 1
76 1 10 VAL H 1 10 VAL HB 2.440 . 3.080 2.580 2.526 2.665 . 0 0 "[ . 1 . 2]" 1
77 1 10 VAL H 1 10 VAL MG2 2.610 . 3.420 2.299 1.995 2.579 . 0 0 "[ . 1 . 2]" 1
78 1 10 VAL HA 1 10 VAL HB 2.400 . 3.010 3.024 3.021 3.029 0.019 9 0 "[ . 1 . 2]" 1
79 1 10 VAL HA 1 11 LEU H 2.480 . 3.160 2.164 2.124 2.203 . 0 0 "[ . 1 . 2]" 1
80 1 10 VAL MG1 1 11 LEU H 2.880 . 3.960 3.208 2.973 3.390 . 0 0 "[ . 1 . 2]" 1
81 1 10 VAL MG2 1 11 LEU H 3.400 . 5.000 4.221 4.131 4.307 . 0 0 "[ . 1 . 2]" 1
82 1 11 LEU H 1 11 LEU HB2 2.350 . 2.900 2.502 2.419 2.583 . 0 0 "[ . 1 . 2]" 1
83 1 11 LEU H 1 11 LEU HB3 2.910 . 4.020 3.657 3.575 3.712 . 0 0 "[ . 1 . 2]" 1
84 1 11 LEU H 1 11 LEU MD1 3.540 . 5.290 3.793 3.510 4.042 . 0 0 "[ . 1 . 2]" 1
85 1 11 LEU H 1 11 LEU MD2 3.240 . 4.680 3.560 3.352 3.779 . 0 0 "[ . 1 . 2]" 1
86 1 11 LEU H 1 11 LEU HG 2.460 . 3.120 2.619 2.259 3.013 . 0 0 "[ . 1 . 2]" 1
87 1 11 LEU HA 1 11 LEU HB3 2.310 . 2.830 2.466 2.422 2.506 . 0 0 "[ . 1 . 2]" 1
88 1 11 LEU HA 1 11 LEU MD1 3.420 . 5.040 3.865 3.836 3.903 . 0 0 "[ . 1 . 2]" 1
89 1 11 LEU HA 1 11 LEU MD2 2.610 . 3.420 2.026 1.939 2.125 . 0 0 "[ . 1 . 2]" 1
90 1 11 LEU HA 1 11 LEU HG 2.820 . 3.840 3.109 3.041 3.242 . 0 0 "[ . 1 . 2]" 1
91 1 11 LEU HA 1 12 ALA H 2.150 . 2.510 2.151 2.122 2.336 . 0 0 "[ . 1 . 2]" 1
92 1 11 LEU HA 1 12 ALA MB 3.560 . 5.330 4.014 3.871 4.149 . 0 0 "[ . 1 . 2]" 1
93 1 11 LEU HB2 1 11 LEU HG 2.280 . 2.760 2.475 2.452 2.511 . 0 0 "[ . 1 . 2]" 1
94 1 11 LEU HB2 1 12 ALA H 3.020 . 4.240 4.287 3.677 4.429 0.189 4 0 "[ . 1 . 2]" 1
95 1 11 LEU HB2 1 20 LEU MD1 3.560 . 5.330 3.346 2.544 4.074 . 0 0 "[ . 1 . 2]" 1
96 1 11 LEU HB3 1 11 LEU MD1 2.610 . 3.420 2.392 2.363 2.448 . 0 0 "[ . 1 . 2]" 1
97 1 11 LEU HB3 1 11 LEU MD2 2.750 . 3.710 2.369 2.322 2.401 . 0 0 "[ . 1 . 2]" 1
98 1 11 LEU HB3 1 12 ALA H 2.710 . 3.620 3.515 2.649 3.791 0.171 8 0 "[ . 1 . 2]" 1
99 1 11 LEU HB3 1 20 LEU MD1 3.000 . 4.210 2.394 1.791 3.112 . 0 0 "[ . 1 . 2]" 1
100 1 11 LEU MD1 1 45 PRO HG2 3.850 . 5.900 4.349 2.279 6.373 0.473 15 0 "[ . 1 . 2]" 1
101 1 11 LEU MD1 1 45 PRO QG 3.490 . 5.190 3.569 2.105 5.224 0.034 11 0 "[ . 1 . 2]" 1
102 1 11 LEU MD1 1 45 PRO HG3 3.850 . 5.900 3.885 2.221 5.738 . 0 0 "[ . 1 . 2]" 1
103 1 11 LEU MD2 1 12 ALA H 3.400 . 5.000 3.693 3.547 3.934 . 0 0 "[ . 1 . 2]" 1
104 1 11 LEU MD2 1 45 PRO QD 3.970 . 6.140 4.454 3.315 5.906 . 0 0 "[ . 1 . 2]" 1
105 1 12 ALA H 1 12 ALA MB 2.700 . 3.600 2.531 2.417 2.721 . 0 0 "[ . 1 . 2]" 1
106 1 12 ALA H 1 20 LEU MD1 3.450 . 5.110 3.483 3.020 4.380 . 0 0 "[ . 1 . 2]" 1
107 1 12 ALA H 1 47 LEU MD1 3.020 . 4.250 3.495 2.583 4.264 0.014 17 0 "[ . 1 . 2]" 1
108 1 12 ALA HA 1 13 CYS H 2.210 . 2.620 2.306 2.200 2.513 . 0 0 "[ . 1 . 2]" 1
109 1 12 ALA HA 1 20 LEU H 3.180 . 4.560 3.172 2.556 4.271 . 0 0 "[ . 1 . 2]" 1
110 1 12 ALA HA 1 20 LEU MD1 3.080 . 4.360 3.442 2.740 3.837 . 0 0 "[ . 1 . 2]" 1
111 1 12 ALA HA 1 20 LEU HG 2.490 . 3.190 2.659 2.168 3.227 0.037 13 0 "[ . 1 . 2]" 1
112 1 12 ALA MB 1 13 CYS H 2.700 . 3.600 2.564 2.169 2.808 . 0 0 "[ . 1 . 2]" 1
113 1 12 ALA MB 1 17 LYS H 3.810 . 5.830 4.232 3.545 4.751 . 0 0 "[ . 1 . 2]" 1
114 1 12 ALA MB 1 17 LYS HA 2.700 . 3.600 2.463 1.785 2.873 0.015 5 0 "[ . 1 . 2]" 1
115 1 12 ALA MB 1 17 LYS QG 3.960 . 6.130 3.183 2.058 4.276 . 0 0 "[ . 1 . 2]" 1
116 1 12 ALA MB 1 18 GLY H 3.810 . 5.830 3.818 2.976 4.493 . 0 0 "[ . 1 . 2]" 1
117 1 13 CYS H 1 13 CYS QB 2.570 . 3.340 2.422 2.208 2.715 . 0 0 "[ . 1 . 2]" 1
118 1 13 CYS H 1 17 LYS H 3.070 . 4.340 3.964 3.049 4.399 0.059 14 0 "[ . 1 . 2]" 1
119 1 13 CYS H 1 17 LYS HA 3.270 . 4.740 3.230 2.168 3.838 . 0 0 "[ . 1 . 2]" 1
120 1 13 CYS H 1 20 LEU MD1 3.510 . 5.220 3.790 2.853 4.183 . 0 0 "[ . 1 . 2]" 1
121 1 13 CYS H 1 20 LEU MD2 3.160 . 4.530 3.461 2.801 4.521 . 0 0 "[ . 1 . 2]" 1
122 1 13 CYS H 1 20 LEU HG 2.870 . 3.950 3.123 2.564 3.818 . 0 0 "[ . 1 . 2]" 1
123 1 13 CYS HA 1 14 PRO HD2 2.390 . 2.980 2.485 2.049 2.947 . 0 0 "[ . 1 . 2]" 1
124 1 13 CYS HA 1 14 PRO QD 2.270 . 2.750 1.926 1.763 2.107 0.027 14 0 "[ . 1 . 2]" 1
125 1 13 CYS HA 1 14 PRO HD3 2.390 . 2.980 2.080 1.787 2.442 0.013 14 0 "[ . 1 . 2]" 1
126 1 13 CYS HA 1 15 LYS H 3.050 . 4.310 3.911 3.708 4.187 . 0 0 "[ . 1 . 2]" 1
127 1 13 CYS HA 1 20 LEU MD1 3.110 . 4.430 2.938 2.516 3.686 . 0 0 "[ . 1 . 2]" 1
128 1 13 CYS HA 1 20 LEU MD2 2.860 . 3.920 3.031 2.478 3.901 . 0 0 "[ . 1 . 2]" 1
129 1 13 CYS HA 1 47 LEU MD2 3.720 . 5.650 3.514 2.624 4.238 . 0 0 "[ . 1 . 2]" 1
130 1 13 CYS QB 1 15 LYS H 3.420 . 5.040 2.995 2.348 3.961 . 0 0 "[ . 1 . 2]" 1
131 1 13 CYS QB 1 16 ASP H 2.930 . 4.070 2.930 2.249 3.567 . 0 0 "[ . 1 . 2]" 1
132 1 13 CYS QB 1 17 LYS H 3.160 . 3.780 2.874 1.794 3.804 0.024 14 0 "[ . 1 . 2]" 1
133 1 13 CYS QB 1 18 GLY H 3.230 . 3.980 2.777 1.952 4.015 0.035 4 0 "[ . 1 . 2]" 1
134 1 13 CYS QB 1 20 LEU MD1 4.850 . 7.900 3.882 2.877 4.444 . 0 0 "[ . 1 . 2]" 1
135 1 13 CYS QB 1 20 LEU MD2 3.310 . 4.090 2.645 1.791 3.815 0.009 19 0 "[ . 1 . 2]" 1
136 1 13 CYS QB 1 20 LEU HG 4.100 . 6.410 3.941 3.257 4.898 . 0 0 "[ . 1 . 2]" 1
137 1 13 CYS QB 1 31 ASN QD 4.450 . 5.640 2.746 2.036 3.387 . 0 0 "[ . 1 . 2]" 1
138 1 14 PRO HA 1 49 ILE QG 4.000 . 6.200 5.158 4.363 6.235 0.035 6 0 "[ . 1 . 2]" 1
139 1 14 PRO QB 1 47 LEU HB3 3.310 . 4.830 3.857 2.855 4.700 . 0 0 "[ . 1 . 2]" 1
140 1 14 PRO QB 1 49 ILE H 4.340 . 6.880 4.442 3.645 5.208 . 0 0 "[ . 1 . 2]" 1
141 1 14 PRO QB 1 49 ILE MD 4.130 . 6.460 3.031 2.103 3.977 . 0 0 "[ . 1 . 2]" 1
142 1 14 PRO QB 1 49 ILE QG 4.400 . 7.000 2.802 1.945 3.958 . 0 0 "[ . 1 . 2]" 1
143 1 14 PRO QD 1 15 LYS H 3.430 . 5.070 2.904 2.386 3.777 . 0 0 "[ . 1 . 2]" 1
144 1 14 PRO QD 1 47 LEU HA 3.550 . 5.310 3.965 3.323 4.337 . 0 0 "[ . 1 . 2]" 1
145 1 14 PRO QD 1 47 LEU HB2 3.960 . 6.130 4.429 3.460 5.176 . 0 0 "[ . 1 . 2]" 1
146 1 14 PRO QD 1 47 LEU HB3 3.410 . 5.020 2.848 1.822 3.580 . 0 0 "[ . 1 . 2]" 1
147 1 14 PRO QD 1 47 LEU MD1 4.850 . 7.910 3.461 2.653 4.074 . 0 0 "[ . 1 . 2]" 1
148 1 14 PRO QD 1 47 LEU MD2 3.450 . 5.100 2.865 2.125 3.490 . 0 0 "[ . 1 . 2]" 1
149 1 14 PRO QG 1 15 LYS H 3.540 . 5.280 3.619 2.528 4.620 . 0 0 "[ . 1 . 2]" 1
150 1 14 PRO QG 1 38 TYR QE 4.800 . 7.440 3.246 2.540 4.114 . 0 0 "[ . 1 . 2]" 1
151 1 14 PRO QG 1 48 LEU H 3.600 . 5.410 4.285 3.149 5.171 . 0 0 "[ . 1 . 2]" 1
152 1 14 PRO QG 1 49 ILE H 3.450 . 4.430 3.932 2.973 4.481 0.051 17 0 "[ . 1 . 2]" 1
153 1 14 PRO QG 1 49 ILE HA 3.900 . 6.000 3.842 3.077 5.466 . 0 0 "[ . 1 . 2]" 1
154 1 14 PRO QG 1 49 ILE MD 3.870 . 5.500 3.780 1.956 5.340 . 0 0 "[ . 1 . 2]" 1
155 1 14 PRO QG 1 52 ALA MB 3.970 . 6.140 4.885 4.438 5.930 . 0 0 "[ . 1 . 2]" 1
156 1 15 LYS H 1 15 LYS HB2 2.980 . 4.160 2.636 2.169 3.486 . 0 0 "[ . 1 . 2]" 1
157 1 15 LYS H 1 15 LYS QB 2.650 . 3.510 2.393 2.148 2.819 . 0 0 "[ . 1 . 2]" 1
158 1 15 LYS H 1 15 LYS HB3 2.980 . 4.160 3.165 2.334 3.720 . 0 0 "[ . 1 . 2]" 1
159 1 15 LYS H 1 16 ASP H 2.390 . 2.980 2.596 2.302 3.002 0.022 10 0 "[ . 1 . 2]" 1
160 1 15 LYS H 1 17 LYS H 2.730 . 3.660 3.226 2.425 3.720 0.060 9 0 "[ . 1 . 2]" 1
161 1 15 LYS HA 1 15 LYS QD 4.340 . 6.880 3.350 1.995 4.243 . 0 0 "[ . 1 . 2]" 1
162 1 15 LYS HA 1 49 ILE MD 3.270 . 4.750 3.952 2.667 4.791 0.041 3 0 "[ . 1 . 2]" 1
163 1 15 LYS QB 1 16 ASP H 2.460 . 3.130 2.194 1.900 2.738 . 0 0 "[ . 1 . 2]" 1
164 1 15 LYS QB 1 31 ASN QD 3.800 . 5.800 4.578 3.605 5.833 0.033 1 0 "[ . 1 . 2]" 1
165 1 15 LYS QB 1 34 LEU MD1 2.990 . 4.180 2.588 1.791 3.343 0.009 10 0 "[ . 1 . 2]" 1
166 1 15 LYS QB 1 49 ILE QG 4.740 . 7.690 4.207 2.085 5.587 . 0 0 "[ . 1 . 2]" 1
167 1 15 LYS HB2 1 16 ASP H 2.640 . 3.480 2.872 1.951 4.072 0.592 17 1 "[ . 1 . + 2]" 1
168 1 15 LYS HB2 1 31 ASN QD 4.560 . 7.330 5.364 4.025 7.242 . 0 0 "[ . 1 . 2]" 1
169 1 15 LYS HB2 1 34 LEU MD1 3.080 . 4.360 3.211 1.807 4.613 0.253 5 0 "[ . 1 . 2]" 1
170 1 15 LYS HB3 1 16 ASP H 2.640 . 3.480 2.636 2.038 3.268 . 0 0 "[ . 1 . 2]" 1
171 1 15 LYS HB3 1 31 ASN QD 4.560 . 7.330 5.376 3.686 7.144 . 0 0 "[ . 1 . 2]" 1
172 1 15 LYS HB3 1 34 LEU MD1 3.080 . 4.360 2.982 2.192 4.259 . 0 0 "[ . 1 . 2]" 1
173 1 15 LYS QD 1 34 LEU MD1 3.820 . 5.850 3.351 2.143 4.561 . 0 0 "[ . 1 . 2]" 1
174 1 15 LYS QE 1 34 LEU HB3 3.740 . 5.690 5.491 3.838 6.348 0.658 9 3 "[ . * +1 . -]" 1
175 1 15 LYS QE 1 34 LEU MD1 4.850 . 7.900 3.456 1.930 4.650 . 0 0 "[ . 1 . 2]" 1
176 1 15 LYS QE 1 49 ILE QG 3.820 . 5.850 4.140 2.881 5.294 . 0 0 "[ . 1 . 2]" 1
177 1 15 LYS QE 1 49 ILE MG 3.840 . 5.880 3.000 1.879 4.448 . 0 0 "[ . 1 . 2]" 1
178 1 15 LYS QG 1 49 ILE MD 4.420 . 7.040 3.793 2.225 5.135 . 0 0 "[ . 1 . 2]" 1
179 1 16 ASP H 1 16 ASP HB2 2.940 . 4.090 3.150 2.627 3.702 . 0 0 "[ . 1 . 2]" 1
180 1 16 ASP H 1 16 ASP QB 2.730 . 3.660 2.487 2.210 2.770 . 0 0 "[ . 1 . 2]" 1
181 1 16 ASP H 1 16 ASP HB3 2.940 . 4.090 2.629 2.321 2.967 . 0 0 "[ . 1 . 2]" 1
182 1 16 ASP H 1 17 LYS H 2.260 . 2.720 2.264 1.798 2.746 0.026 9 0 "[ . 1 . 2]" 1
183 1 16 ASP H 1 34 LEU MD1 3.170 . 4.540 3.226 2.188 4.175 . 0 0 "[ . 1 . 2]" 1
184 1 16 ASP H 1 34 LEU MD2 3.870 . 5.940 4.876 3.113 5.953 0.013 17 0 "[ . 1 . 2]" 1
185 1 16 ASP HA 1 16 ASP HB2 2.330 . 2.870 2.450 2.373 2.560 . 0 0 "[ . 1 . 2]" 1
186 1 16 ASP HA 1 16 ASP QB 2.230 . 2.670 2.301 2.182 2.429 . 0 0 "[ . 1 . 2]" 1
187 1 16 ASP HA 1 16 ASP HB3 2.330 . 2.870 2.840 2.431 3.029 0.159 18 0 "[ . 1 . 2]" 1
188 1 16 ASP QB 1 31 ASN QD 4.350 . 6.910 3.534 2.244 6.037 . 0 0 "[ . 1 . 2]" 1
189 1 16 ASP QB 1 34 LEU MD1 3.300 . 4.800 2.829 1.778 4.813 0.022 15 0 "[ . 1 . 2]" 1
190 1 16 ASP QB 1 34 LEU MD2 3.710 . 5.630 3.307 1.771 5.362 0.019 4 0 "[ . 1 . 2]" 1
191 1 17 LYS H 1 17 LYS HA 2.130 . 2.470 2.258 2.247 2.275 . 0 0 "[ . 1 . 2]" 1
192 1 17 LYS H 1 17 LYS HB2 2.980 . 4.160 3.322 3.045 3.563 . 0 0 "[ . 1 . 2]" 1
193 1 17 LYS H 1 17 LYS HB3 2.980 . 4.160 3.954 3.651 4.129 . 0 0 "[ . 1 . 2]" 1
194 1 17 LYS H 1 17 LYS QD 3.600 . 5.400 4.154 2.393 5.035 . 0 0 "[ . 1 . 2]" 1
195 1 17 LYS H 1 17 LYS HG2 3.540 . 5.280 4.296 2.954 5.239 . 0 0 "[ . 1 . 2]" 1
196 1 17 LYS H 1 17 LYS QG 3.350 . 4.910 3.539 2.743 4.473 . 0 0 "[ . 1 . 2]" 1
197 1 17 LYS H 1 17 LYS HG3 3.540 . 5.280 3.847 2.867 4.877 . 0 0 "[ . 1 . 2]" 1
198 1 17 LYS H 1 18 GLY H 2.460 . 3.120 2.650 2.520 3.017 . 0 0 "[ . 1 . 2]" 1
199 1 17 LYS HA 1 17 LYS HD2 3.210 . 4.630 3.835 1.810 4.737 0.107 5 0 "[ . 1 . 2]" 1
200 1 17 LYS HA 1 17 LYS QD 3.090 . 4.380 3.271 1.792 4.157 0.008 1 0 "[ . 1 . 2]" 1
201 1 17 LYS HA 1 17 LYS HD3 3.210 . 4.630 3.819 1.966 4.637 0.007 6 0 "[ . 1 . 2]" 1
202 1 17 LYS HA 1 18 GLY H 2.640 . 3.480 2.947 2.375 3.149 . 0 0 "[ . 1 . 2]" 1
203 1 18 GLY QA 1 19 PRO QD 2.390 . 2.990 1.943 1.787 2.081 0.003 8 0 "[ . 1 . 2]" 1
204 1 18 GLY HA2 1 19 PRO HD2 2.870 . 3.950 2.769 2.118 3.202 . 0 0 "[ . 1 . 2]" 1
205 1 18 GLY HA2 1 19 PRO HD3 2.870 . 3.950 2.177 1.827 2.620 . 0 0 "[ . 1 . 2]" 1
206 1 18 GLY HA3 1 19 PRO HD2 2.870 . 3.950 2.890 2.265 3.616 . 0 0 "[ . 1 . 2]" 1
207 1 18 GLY HA3 1 19 PRO HD3 2.870 . 3.950 3.245 2.795 3.865 . 0 0 "[ . 1 . 2]" 1
208 1 19 PRO HA 1 20 LEU H 2.210 . 2.620 2.154 2.123 2.304 . 0 0 "[ . 1 . 2]" 1
209 1 19 PRO QB 1 20 LEU H 2.810 . 3.830 3.226 2.722 3.469 . 0 0 "[ . 1 . 2]" 1
210 1 19 PRO HB2 1 20 LEU H 2.940 . 4.090 3.630 2.819 4.005 . 0 0 "[ . 1 . 2]" 1
211 1 19 PRO HB3 1 20 LEU H 2.940 . 4.090 3.686 3.330 4.086 . 0 0 "[ . 1 . 2]" 1
212 1 20 LEU H 1 20 LEU HB2 2.460 . 3.120 2.426 2.272 2.586 . 0 0 "[ . 1 . 2]" 1
213 1 20 LEU H 1 20 LEU MD1 3.540 . 5.290 3.713 3.482 4.000 . 0 0 "[ . 1 . 2]" 1
214 1 20 LEU H 1 20 LEU MD2 3.780 . 5.760 3.678 3.441 3.953 . 0 0 "[ . 1 . 2]" 1
215 1 20 LEU H 1 20 LEU HG 2.620 . 3.440 2.672 2.366 3.072 . 0 0 "[ . 1 . 2]" 1
216 1 20 LEU HA 1 20 LEU MD1 3.560 . 5.330 3.865 3.835 3.902 . 0 0 "[ . 1 . 2]" 1
217 1 20 LEU HA 1 20 LEU MD2 2.680 . 3.560 2.038 1.944 2.134 . 0 0 "[ . 1 . 2]" 1
218 1 20 LEU HA 1 21 ARG H 2.220 . 2.650 2.191 2.127 2.306 . 0 0 "[ . 1 . 2]" 1
219 1 20 LEU HB2 1 20 LEU MD1 2.610 . 3.420 2.295 2.240 2.345 . 0 0 "[ . 1 . 2]" 1
220 1 20 LEU HB2 1 21 ARG H 3.120 . 4.450 4.105 3.794 4.273 . 0 0 "[ . 1 . 2]" 1
221 1 20 LEU HB3 1 20 LEU MD1 2.700 . 3.600 2.424 2.359 2.517 . 0 0 "[ . 1 . 2]" 1
222 1 20 LEU HB3 1 20 LEU MD2 2.640 . 3.490 2.328 2.253 2.393 . 0 0 "[ . 1 . 2]" 1
223 1 20 LEU HB3 1 21 ARG H 2.550 . 3.300 3.081 2.807 3.291 . 0 0 "[ . 1 . 2]" 1
224 1 20 LEU HB3 1 29 LEU HB3 2.640 . 3.480 2.132 1.814 2.614 . 0 0 "[ . 1 . 2]" 1
225 1 20 LEU HB3 1 30 VAL H 3.090 . 4.380 3.576 3.104 4.098 . 0 0 "[ . 1 . 2]" 1
226 1 20 LEU MD1 1 29 LEU HB2 3.200 . 4.610 2.768 2.476 3.090 . 0 0 "[ . 1 . 2]" 1
227 1 20 LEU MD1 1 29 LEU HB3 3.020 . 4.250 2.011 1.809 2.670 . 0 0 "[ . 1 . 2]" 1
228 1 20 LEU MD1 1 47 LEU MD2 3.640 . 5.480 2.284 1.985 2.711 . 0 0 "[ . 1 . 2]" 1
229 1 20 LEU MD2 1 21 ARG H 3.380 . 4.970 3.427 3.160 3.685 . 0 0 "[ . 1 . 2]" 1
230 1 20 LEU MD2 1 31 ASN H 3.360 . 4.930 3.124 2.682 3.528 . 0 0 "[ . 1 . 2]" 1
231 1 20 LEU MD2 1 31 ASN HA 2.790 . 3.780 2.783 2.009 3.287 . 0 0 "[ . 1 . 2]" 1
232 1 20 LEU MD2 1 31 ASN HB2 3.340 . 4.890 2.053 1.785 2.877 0.005 19 0 "[ . 1 . 2]" 1
233 1 20 LEU MD2 1 31 ASN QB 3.010 . 4.230 2.035 1.776 2.827 0.014 19 0 "[ . 1 . 2]" 1
234 1 20 LEU MD2 1 31 ASN HB3 3.340 . 4.890 3.397 2.997 4.159 . 0 0 "[ . 1 . 2]" 1
235 1 20 LEU MD2 1 38 TYR QD 4.500 . 7.200 2.442 2.042 2.900 . 0 0 "[ . 1 . 2]" 1
236 1 20 LEU MD2 1 38 TYR QE 4.360 . 6.920 2.514 2.070 2.796 . 0 0 "[ . 1 . 2]" 1
237 1 20 LEU MD2 1 47 LEU MD2 4.110 . 6.420 3.774 3.355 4.301 . 0 0 "[ . 1 . 2]" 1
238 1 21 ARG H 1 30 VAL H 2.440 . 3.080 3.002 2.789 3.120 0.040 10 0 "[ . 1 . 2]" 1
239 1 21 ARG H 1 30 VAL HB 3.090 . 4.380 3.929 3.511 4.227 . 0 0 "[ . 1 . 2]" 1
240 1 21 ARG H 1 30 VAL MG2 3.990 . 6.190 4.844 4.550 5.044 . 0 0 "[ . 1 . 2]" 1
241 1 21 ARG H 1 31 ASN HA 3.090 . 4.380 3.316 2.917 3.888 . 0 0 "[ . 1 . 2]" 1
242 1 21 ARG HA 1 21 ARG HG2 2.670 . 3.550 3.048 2.355 3.770 0.220 3 0 "[ . 1 . 2]" 1
243 1 21 ARG HA 1 21 ARG QG 2.550 . 3.310 2.426 2.298 2.810 . 0 0 "[ . 1 . 2]" 1
244 1 21 ARG HA 1 21 ARG HG3 2.670 . 3.550 2.603 2.375 3.199 . 0 0 "[ . 1 . 2]" 1
245 1 21 ARG HA 1 22 TYR H 2.170 . 2.540 2.149 2.108 2.183 . 0 0 "[ . 1 . 2]" 1
246 1 21 ARG QB 1 30 VAL H 3.760 . 5.730 3.161 2.732 3.508 . 0 0 "[ . 1 . 2]" 1
247 1 21 ARG QB 1 30 VAL HB 3.380 . 4.970 2.733 2.299 3.436 . 0 0 "[ . 1 . 2]" 1
248 1 21 ARG QB 1 30 VAL MG1 4.520 . 7.250 3.805 3.575 4.231 . 0 0 "[ . 1 . 2]" 1
249 1 21 ARG QB 1 30 VAL MG2 3.620 . 5.450 3.965 3.470 4.598 . 0 0 "[ . 1 . 2]" 1
250 1 21 ARG QG 1 22 TYR H 2.890 . 3.990 2.994 2.558 4.060 0.070 4 0 "[ . 1 . 2]" 1
251 1 21 ARG HG2 1 22 TYR H 3.050 . 4.310 3.354 2.644 4.514 0.204 3 0 "[ . 1 . 2]" 1
252 1 21 ARG HG3 1 22 TYR H 3.050 . 4.310 3.472 2.909 5.173 0.863 5 2 "[ -+ 1 . 2]" 1
253 1 22 TYR H 1 22 TYR HB2 2.440 . 3.080 2.717 2.514 2.943 . 0 0 "[ . 1 . 2]" 1
254 1 22 TYR H 1 22 TYR HB3 2.330 . 2.870 2.492 2.327 2.691 . 0 0 "[ . 1 . 2]" 1
255 1 22 TYR H 1 29 LEU MD2 3.600 . 5.400 4.053 3.718 4.283 . 0 0 "[ . 1 . 2]" 1
256 1 22 TYR HA 1 22 TYR HB2 2.370 . 2.940 2.469 2.370 2.587 . 0 0 "[ . 1 . 2]" 1
257 1 22 TYR HA 1 23 LEU H 2.150 . 2.510 2.138 2.113 2.190 . 0 0 "[ . 1 . 2]" 1
258 1 22 TYR HA 1 29 LEU MD2 2.660 . 3.530 2.169 1.936 2.404 . 0 0 "[ . 1 . 2]" 1
259 1 22 TYR HA 1 30 VAL H 2.960 . 4.130 3.926 3.482 4.200 0.070 3 0 "[ . 1 . 2]" 1
260 1 22 TYR HB2 1 29 LEU MD2 3.080 . 4.360 2.836 2.227 3.336 . 0 0 "[ . 1 . 2]" 1
261 1 22 TYR HB3 1 29 LEU MD2 3.450 . 5.110 4.062 3.573 4.356 . 0 0 "[ . 1 . 2]" 1
262 1 22 TYR QD 1 23 LEU H 4.100 . 6.400 3.562 2.716 4.043 . 0 0 "[ . 1 . 2]" 1
263 1 22 TYR QD 1 29 LEU MD2 4.000 . 6.200 2.102 1.782 2.684 0.018 18 0 "[ . 1 . 2]" 1
264 1 22 TYR QD 1 29 LEU HG 4.570 . 7.340 3.971 2.945 4.893 . 0 0 "[ . 1 . 2]" 1
265 1 22 TYR QD 1 40 ILE MD 4.360 . 6.920 3.121 2.514 4.047 . 0 0 "[ . 1 . 2]" 1
266 1 22 TYR QE 1 24 GLU HA 4.440 . 7.090 2.663 1.778 3.411 0.012 7 0 "[ . 1 . 2]" 1
267 1 22 TYR QE 1 24 GLU HB3 4.510 . 7.230 3.568 2.335 4.647 . 0 0 "[ . 1 . 2]" 1
268 1 22 TYR QE 1 24 GLU QG 5.400 . 9.010 2.638 1.762 4.768 0.028 17 0 "[ . 1 . 2]" 1
269 1 22 TYR QE 1 27 GLN HA 4.350 . 6.910 3.314 1.914 4.695 . 0 0 "[ . 1 . 2]" 1
270 1 22 TYR QE 1 40 ILE MD 3.940 . 6.090 2.443 1.801 3.290 . 0 0 "[ . 1 . 2]" 1
271 1 23 LEU H 1 23 LEU HB2 2.670 . 3.550 2.390 2.305 2.675 . 0 0 "[ . 1 . 2]" 1
272 1 23 LEU H 1 23 LEU QB 2.470 . 3.140 2.338 2.210 2.430 . 0 0 "[ . 1 . 2]" 1
273 1 23 LEU H 1 23 LEU HB3 2.670 . 3.550 3.513 2.476 3.668 0.118 13 0 "[ . 1 . 2]" 1
274 1 23 LEU H 1 23 LEU MD1 3.970 . 6.150 3.291 2.304 4.301 . 0 0 "[ . 1 . 2]" 1
275 1 23 LEU H 1 23 LEU MD2 3.970 . 6.150 3.316 2.140 4.297 . 0 0 "[ . 1 . 2]" 1
276 1 23 LEU H 1 23 LEU HG 3.180 . 4.560 4.098 2.519 4.581 0.021 19 0 "[ . 1 . 2]" 1
277 1 23 LEU H 1 28 LEU H 2.670 . 3.550 3.025 2.706 3.371 . 0 0 "[ . 1 . 2]" 1
278 1 23 LEU H 1 29 LEU HA 2.710 . 3.620 3.478 3.177 3.707 0.087 15 0 "[ . 1 . 2]" 1
279 1 23 LEU HA 1 23 LEU MD1 3.490 . 5.180 2.392 1.854 3.847 . 0 0 "[ . 1 . 2]" 1
280 1 23 LEU HA 1 23 LEU QD 3.000 . 4.200 2.216 1.784 2.832 0.016 19 0 "[ . 1 . 2]" 1
281 1 23 LEU HA 1 23 LEU MD2 3.490 . 5.180 3.153 1.817 3.884 . 0 0 "[ . 1 . 2]" 1
282 1 23 LEU HA 1 23 LEU HG 2.820 . 3.840 3.142 2.427 3.716 . 0 0 "[ . 1 . 2]" 1
283 1 23 LEU HA 1 24 GLU H 2.120 . 2.440 2.144 2.109 2.233 . 0 0 "[ . 1 . 2]" 1
284 1 23 LEU QB 1 28 LEU H 3.240 . 4.690 2.507 1.778 3.128 0.012 15 0 "[ . 1 . 2]" 1
285 1 23 LEU QB 1 28 LEU HB2 3.010 . 4.220 2.246 1.801 3.099 . 0 0 "[ . 1 . 2]" 1
286 1 23 LEU QB 1 28 LEU MD1 4.270 . 6.750 3.450 2.950 4.300 . 0 0 "[ . 1 . 2]" 1
287 1 23 LEU HB2 1 28 LEU H 3.480 . 5.170 2.701 1.786 4.034 0.004 15 0 "[ . 1 . 2]" 1
288 1 23 LEU HB2 1 28 LEU HB2 3.270 . 4.740 2.349 1.809 3.164 . 0 0 "[ . 1 . 2]" 1
289 1 23 LEU HB3 1 28 LEU H 3.480 . 5.170 3.530 2.329 4.073 . 0 0 "[ . 1 . 2]" 1
290 1 23 LEU HB3 1 28 LEU HB2 3.270 . 4.740 3.438 1.951 4.454 . 0 0 "[ . 1 . 2]" 1
291 1 23 LEU QD 1 24 GLU H 4.320 . 6.840 3.671 2.831 4.380 . 0 0 "[ . 1 . 2]" 1
292 1 23 LEU QD 1 28 LEU H 5.060 . 8.320 3.852 3.115 4.434 . 0 0 "[ . 1 . 2]" 1
293 1 23 LEU QD 1 30 VAL MG2 5.420 . 9.050 2.152 1.833 3.489 . 0 0 "[ . 1 . 2]" 1
294 1 23 LEU QD 1 55 TRP HE1 3.850 . 5.910 3.517 2.281 4.531 . 0 0 "[ . 1 . 2]" 1
295 1 23 LEU MD1 1 55 TRP HE1 3.980 . 6.160 4.534 3.592 5.490 . 0 0 "[ . 1 . 2]" 1
296 1 23 LEU MD2 1 55 TRP HE1 3.980 . 6.160 3.810 2.293 4.990 . 0 0 "[ . 1 . 2]" 1
297 1 23 LEU HG 1 30 VAL MG2 4.010 . 6.230 3.909 2.950 5.689 . 0 0 "[ . 1 . 2]" 1
298 1 24 GLU H 1 24 GLU HB2 2.300 . 2.800 2.691 2.219 3.615 0.815 5 2 "[ + 1 -. 2]" 1
299 1 24 GLU H 1 24 GLU HB3 2.800 . 3.800 3.519 2.569 3.657 . 0 0 "[ . 1 . 2]" 1
300 1 24 GLU H 1 24 GLU HG2 3.740 . 5.680 3.296 1.882 3.905 . 0 0 "[ . 1 . 2]" 1
301 1 24 GLU H 1 24 GLU QG 3.430 . 5.070 2.331 1.782 3.161 0.008 14 0 "[ . 1 . 2]" 1
302 1 24 GLU H 1 24 GLU HG3 3.740 . 5.680 2.597 1.790 3.733 0.010 14 0 "[ . 1 . 2]" 1
303 1 24 GLU H 1 25 SER H 2.870 . 3.950 2.546 2.271 2.771 . 0 0 "[ . 1 . 2]" 1
304 1 24 GLU HA 1 24 GLU HB3 2.330 . 2.870 2.416 2.238 2.651 . 0 0 "[ . 1 . 2]" 1
305 1 24 GLU HA 1 24 GLU QG 2.860 . 3.920 2.670 2.397 3.529 . 0 0 "[ . 1 . 2]" 1
306 1 24 GLU HA 1 27 GLN H 2.780 . 3.770 3.556 3.063 3.828 0.058 15 0 "[ . 1 . 2]" 1
307 1 24 GLU HA 1 27 GLN HA 2.850 . 3.910 3.663 3.000 3.925 0.015 10 0 "[ . 1 . 2]" 1
308 1 24 GLU HA 1 27 GLN HE21 3.320 . 4.850 3.733 2.460 4.908 0.058 17 0 "[ . 1 . 2]" 1
309 1 24 GLU HA 1 27 GLN QE 3.260 . 4.720 3.321 2.063 4.336 . 0 0 "[ . 1 . 2]" 1
310 1 24 GLU HA 1 27 GLN HE22 3.320 . 4.850 3.942 2.102 4.940 0.090 15 0 "[ . 1 . 2]" 1
311 1 24 GLU HB2 1 25 SER H 2.490 . 3.190 3.081 2.514 3.801 0.611 5 1 "[ + 1 . 2]" 1
312 1 24 GLU HB3 1 25 SER H 3.000 . 4.200 4.032 3.685 4.323 0.123 8 0 "[ . 1 . 2]" 1
313 1 25 SER H 1 25 SER QB 2.670 . 3.540 2.583 2.316 2.797 . 0 0 "[ . 1 . 2]" 1
314 1 25 SER H 1 26 GLU H 2.570 . 3.340 2.823 2.285 3.209 . 0 0 "[ . 1 . 2]" 1
315 1 25 SER HA 1 25 SER HB2 2.350 . 2.900 2.910 2.466 3.026 0.126 17 0 "[ . 1 . 2]" 1
316 1 25 SER HA 1 25 SER HB3 2.350 . 2.900 2.426 2.282 3.034 0.134 15 0 "[ . 1 . 2]" 1
317 1 25 SER HB2 1 26 GLU H 3.410 . 5.030 2.699 2.036 3.748 . 0 0 "[ . 1 . 2]" 1
318 1 25 SER HB3 1 26 GLU H 3.410 . 5.030 3.665 2.398 4.022 . 0 0 "[ . 1 . 2]" 1
319 1 26 GLU H 1 26 GLU QB 2.700 . 3.600 2.571 2.408 2.737 . 0 0 "[ . 1 . 2]" 1
320 1 26 GLU H 1 26 GLU HG2 3.200 . 4.600 3.837 2.863 4.672 0.072 4 0 "[ . 1 . 2]" 1
321 1 26 GLU H 1 26 GLU QG 3.120 . 4.440 2.972 2.463 4.156 . 0 0 "[ . 1 . 2]" 1
322 1 26 GLU H 1 26 GLU HG3 3.200 . 4.600 3.296 2.501 4.657 0.057 4 0 "[ . 1 . 2]" 1
323 1 26 GLU H 1 27 GLN H 2.300 . 2.800 2.214 1.990 2.463 . 0 0 "[ . 1 . 2]" 1
324 1 26 GLU HA 1 26 GLU HG2 2.760 . 3.730 2.687 2.369 3.657 . 0 0 "[ . 1 . 2]" 1
325 1 26 GLU HA 1 26 GLU QG 2.590 . 3.380 2.495 2.287 2.964 . 0 0 "[ . 1 . 2]" 1
326 1 26 GLU HA 1 26 GLU HG3 2.760 . 3.730 3.151 2.369 3.719 . 0 0 "[ . 1 . 2]" 1
327 1 26 GLU QB 1 28 LEU H 3.270 . 4.750 4.059 3.266 4.746 . 0 0 "[ . 1 . 2]" 1
328 1 26 GLU QB 1 28 LEU HB2 3.240 . 4.680 3.790 2.904 4.656 . 0 0 "[ . 1 . 2]" 1
329 1 26 GLU QB 1 28 LEU HB3 4.140 . 6.480 4.758 4.173 5.304 . 0 0 "[ . 1 . 2]" 1
330 1 26 GLU QB 1 28 LEU MD1 2.830 . 3.870 2.471 2.108 2.891 . 0 0 "[ . 1 . 2]" 1
331 1 26 GLU QB 1 28 LEU HG 3.260 . 4.720 2.422 1.922 3.214 . 0 0 "[ . 1 . 2]" 1
332 1 26 GLU HB2 1 27 GLN H 3.390 . 4.990 3.792 2.889 4.342 . 0 0 "[ . 1 . 2]" 1
333 1 26 GLU HB2 1 28 LEU H 3.540 . 5.280 4.311 3.367 5.673 0.393 4 0 "[ . 1 . 2]" 1
334 1 26 GLU HB2 1 28 LEU MD1 2.970 . 4.140 2.709 2.160 3.800 . 0 0 "[ . 1 . 2]" 1
335 1 26 GLU HB3 1 27 GLN H 3.390 . 4.990 4.302 3.786 4.462 . 0 0 "[ . 1 . 2]" 1
336 1 26 GLU HB3 1 28 LEU H 3.540 . 5.280 5.144 4.296 6.046 0.766 16 2 "[ . 1 .+- 2]" 1
337 1 26 GLU HB3 1 28 LEU MD1 2.970 . 4.140 3.153 2.489 4.091 . 0 0 "[ . 1 . 2]" 1
338 1 26 GLU QG 1 28 LEU MD1 4.180 . 6.570 3.683 2.893 4.442 . 0 0 "[ . 1 . 2]" 1
339 1 27 GLN H 1 27 GLN HA 2.190 . 2.580 2.267 2.246 2.281 . 0 0 "[ . 1 . 2]" 1
340 1 27 GLN H 1 27 GLN HB2 2.750 . 3.700 3.419 3.185 3.656 . 0 0 "[ . 1 . 2]" 1
341 1 27 GLN H 1 27 GLN HG2 3.250 . 4.700 3.892 2.766 4.668 . 0 0 "[ . 1 . 2]" 1
342 1 27 GLN H 1 27 GLN QG 3.050 . 4.300 3.282 2.618 3.972 . 0 0 "[ . 1 . 2]" 1
343 1 27 GLN H 1 27 GLN HG3 3.250 . 4.700 3.952 2.999 4.446 . 0 0 "[ . 1 . 2]" 1
344 1 27 GLN H 1 28 LEU H 2.600 . 3.410 2.986 2.692 3.149 . 0 0 "[ . 1 . 2]" 1
345 1 27 GLN HA 1 27 GLN HB3 2.400 . 3.010 2.571 2.417 2.740 . 0 0 "[ . 1 . 2]" 1
346 1 27 GLN HA 1 27 GLN QE 4.330 . 6.860 3.319 2.163 4.443 . 0 0 "[ . 1 . 2]" 1
347 1 27 GLN HA 1 28 LEU H 2.330 . 2.870 2.490 2.308 2.768 . 0 0 "[ . 1 . 2]" 1
348 1 27 GLN HA 1 40 ILE MD 3.060 . 4.320 3.173 2.572 3.904 . 0 0 "[ . 1 . 2]" 1
349 1 27 GLN HB2 1 40 ILE HB 3.200 . 4.600 3.578 2.709 4.793 0.193 18 0 "[ . 1 . 2]" 1
350 1 27 GLN HB3 1 40 ILE HB 2.850 . 3.910 2.335 1.785 4.043 0.133 15 0 "[ . 1 . 2]" 1
351 1 27 GLN HB3 1 40 ILE MD 3.240 . 4.680 2.876 1.983 3.827 . 0 0 "[ . 1 . 2]" 1
352 1 27 GLN HB3 1 40 ILE MG 3.380 . 4.970 3.266 2.578 4.257 . 0 0 "[ . 1 . 2]" 1
353 1 28 LEU H 1 28 LEU HB2 2.490 . 3.190 2.629 2.549 2.730 . 0 0 "[ . 1 . 2]" 1
354 1 28 LEU H 1 28 LEU HB3 2.840 . 3.880 3.764 3.718 3.822 . 0 0 "[ . 1 . 2]" 1
355 1 28 LEU H 1 28 LEU MD1 3.560 . 5.330 4.099 4.027 4.282 . 0 0 "[ . 1 . 2]" 1
356 1 28 LEU H 1 28 LEU MD2 3.650 . 5.510 3.837 3.723 3.989 . 0 0 "[ . 1 . 2]" 1
357 1 28 LEU H 1 28 LEU HG 2.710 . 3.620 3.090 2.924 3.361 . 0 0 "[ . 1 . 2]" 1
358 1 28 LEU H 1 40 ILE MD 3.330 . 4.860 3.935 3.158 4.688 . 0 0 "[ . 1 . 2]" 1
359 1 28 LEU HA 1 28 LEU HB3 2.310 . 2.830 2.488 2.454 2.519 . 0 0 "[ . 1 . 2]" 1
360 1 28 LEU HA 1 28 LEU MD1 3.790 . 5.790 3.865 3.844 3.905 . 0 0 "[ . 1 . 2]" 1
361 1 28 LEU HA 1 28 LEU MD2 2.700 . 3.600 2.025 1.971 2.112 . 0 0 "[ . 1 . 2]" 1
362 1 28 LEU HA 1 28 LEU HG 2.690 . 3.590 3.093 3.023 3.170 . 0 0 "[ . 1 . 2]" 1
363 1 28 LEU HA 1 29 LEU H 2.260 . 2.720 2.234 2.156 2.423 . 0 0 "[ . 1 . 2]" 1
364 1 28 LEU HA 1 40 ILE H 2.930 . 4.060 3.337 2.852 3.895 . 0 0 "[ . 1 . 2]" 1
365 1 28 LEU HA 1 40 ILE MD 3.600 . 5.400 3.793 2.720 4.830 . 0 0 "[ . 1 . 2]" 1
366 1 28 LEU HA 1 40 ILE QG 4.070 . 6.340 3.226 2.248 3.918 . 0 0 "[ . 1 . 2]" 1
367 1 28 LEU HB2 1 28 LEU HG 2.390 . 2.980 2.472 2.453 2.490 . 0 0 "[ . 1 . 2]" 1
368 1 28 LEU HB2 1 29 LEU H 2.890 . 3.980 3.940 3.611 4.097 0.117 1 0 "[ . 1 . 2]" 1
369 1 28 LEU HB3 1 29 LEU H 2.370 . 2.940 2.854 2.539 3.058 0.118 1 0 "[ . 1 . 2]" 1
370 1 28 LEU HB3 1 30 VAL MG2 3.580 . 5.360 2.893 2.309 3.393 . 0 0 "[ . 1 . 2]" 1
371 1 28 LEU MD1 1 29 LEU H 3.900 . 6.010 4.723 4.489 4.880 . 0 0 "[ . 1 . 2]" 1
372 1 28 LEU MD1 1 30 VAL MG2 3.820 . 5.840 3.439 2.909 3.909 . 0 0 "[ . 1 . 2]" 1
373 1 28 LEU MD1 1 37 ALA MB 4.160 . 6.530 3.311 2.674 4.198 . 0 0 "[ . 1 . 2]" 1
374 1 28 LEU MD1 1 38 TYR H 4.410 . 7.020 5.694 5.136 6.194 . 0 0 "[ . 1 . 2]" 1
375 1 28 LEU MD1 1 55 TRP HD1 3.810 . 5.830 5.233 4.281 5.861 0.031 2 0 "[ . 1 . 2]" 1
376 1 28 LEU MD1 1 55 TRP HE1 3.110 . 4.430 4.198 3.162 4.485 0.055 17 0 "[ . 1 . 2]" 1
377 1 28 LEU MD1 1 55 TRP HH2 3.380 . 4.970 3.384 2.703 4.353 . 0 0 "[ . 1 . 2]" 1
378 1 28 LEU MD1 1 55 TRP HZ2 2.980 . 4.170 3.328 2.734 4.199 0.029 7 0 "[ . 1 . 2]" 1
379 1 28 LEU MD1 1 55 TRP HZ3 3.810 . 5.830 3.937 3.195 5.160 . 0 0 "[ . 1 . 2]" 1
380 1 28 LEU MD2 1 29 LEU H 3.380 . 4.970 3.424 3.271 3.599 . 0 0 "[ . 1 . 2]" 1
381 1 28 LEU MD2 1 38 TYR H 3.650 . 5.510 4.711 4.077 5.293 . 0 0 "[ . 1 . 2]" 1
382 1 28 LEU MD2 1 39 ARG HA 2.730 . 3.670 2.351 1.775 3.324 0.015 15 0 "[ . 1 . 2]" 1
383 1 28 LEU MD2 1 40 ILE H 3.470 . 5.150 2.963 1.933 3.762 . 0 0 "[ . 1 . 2]" 1
384 1 29 LEU H 1 29 LEU HB2 2.330 . 2.870 2.543 2.492 2.618 . 0 0 "[ . 1 . 2]" 1
385 1 29 LEU H 1 29 LEU HB3 2.760 . 3.730 3.707 3.681 3.740 0.010 6 0 "[ . 1 . 2]" 1
386 1 29 LEU H 1 29 LEU MD1 3.560 . 5.330 3.930 3.780 4.012 . 0 0 "[ . 1 . 2]" 1
387 1 29 LEU H 1 29 LEU MD2 3.330 . 4.860 3.746 3.454 3.873 . 0 0 "[ . 1 . 2]" 1
388 1 29 LEU H 1 29 LEU HG 2.910 . 4.020 2.882 2.617 3.038 . 0 0 "[ . 1 . 2]" 1
389 1 29 LEU H 1 38 TYR H 2.600 . 3.410 3.140 2.793 3.435 0.025 15 0 "[ . 1 . 2]" 1
390 1 29 LEU H 1 38 TYR HB2 3.360 . 4.920 3.695 3.468 3.948 . 0 0 "[ . 1 . 2]" 1
391 1 29 LEU H 1 38 TYR QB 3.260 . 4.730 3.589 3.387 3.821 . 0 0 "[ . 1 . 2]" 1
392 1 29 LEU H 1 38 TYR HB3 3.360 . 4.920 4.876 4.674 5.111 0.191 10 0 "[ . 1 . 2]" 1
393 1 29 LEU H 1 40 ILE MD 3.670 . 5.540 4.194 3.557 4.982 . 0 0 "[ . 1 . 2]" 1
394 1 29 LEU H 1 40 ILE QG 4.160 . 6.520 3.581 2.943 4.033 . 0 0 "[ . 1 . 2]" 1
395 1 29 LEU HA 1 29 LEU HB3 2.370 . 2.940 2.479 2.417 2.502 . 0 0 "[ . 1 . 2]" 1
396 1 29 LEU HA 1 29 LEU MD1 4.100 . 6.410 3.874 3.844 3.906 . 0 0 "[ . 1 . 2]" 1
397 1 29 LEU HA 1 29 LEU MD2 2.610 . 3.420 2.040 1.960 2.119 . 0 0 "[ . 1 . 2]" 1
398 1 29 LEU HA 1 29 LEU HG 2.840 . 3.880 3.093 3.000 3.263 . 0 0 "[ . 1 . 2]" 1
399 1 29 LEU HA 1 30 VAL H 2.170 . 2.540 2.160 2.145 2.178 . 0 0 "[ . 1 . 2]" 1
400 1 29 LEU HB2 1 38 TYR H 3.900 . 6.000 3.110 2.635 3.624 . 0 0 "[ . 1 . 2]" 1
401 1 29 LEU HB2 1 38 TYR HB2 3.000 . 4.200 2.185 1.939 2.431 . 0 0 "[ . 1 . 2]" 1
402 1 29 LEU HB2 1 38 TYR QB 2.840 . 3.890 2.171 1.927 2.410 . 0 0 "[ . 1 . 2]" 1
403 1 29 LEU HB2 1 38 TYR HB3 3.000 . 4.200 3.760 3.343 3.976 . 0 0 "[ . 1 . 2]" 1
404 1 29 LEU HB3 1 29 LEU MD2 2.770 . 3.740 2.349 2.301 2.397 . 0 0 "[ . 1 . 2]" 1
405 1 29 LEU HB3 1 30 VAL H 2.930 . 4.060 3.617 3.417 3.678 . 0 0 "[ . 1 . 2]" 1
406 1 29 LEU HB3 1 38 TYR QB 3.600 . 5.400 3.502 3.149 3.752 . 0 0 "[ . 1 . 2]" 1
407 1 29 LEU MD1 1 45 PRO QB 3.190 . 4.590 2.262 1.836 2.734 . 0 0 "[ . 1 . 2]" 1
408 1 29 LEU MD1 1 45 PRO QG 3.470 . 5.140 3.396 2.819 3.953 . 0 0 "[ . 1 . 2]" 1
409 1 29 LEU MD1 1 47 LEU MD2 4.050 . 6.310 2.361 1.882 2.856 . 0 0 "[ . 1 . 2]" 1
410 1 29 LEU MD2 1 30 VAL H 3.130 . 4.460 3.738 3.609 3.914 . 0 0 "[ . 1 . 2]" 1
411 1 29 LEU MD2 1 38 TYR QB 4.670 . 7.540 4.703 4.452 4.944 . 0 0 "[ . 1 . 2]" 1
412 1 29 LEU HG 1 30 VAL H 3.900 . 6.000 5.178 5.108 5.282 . 0 0 "[ . 1 . 2]" 1
413 1 29 LEU HG 1 40 ILE MD 2.660 . 3.530 2.192 1.775 3.069 0.015 15 0 "[ . 1 . 2]" 1
414 1 30 VAL H 1 30 VAL HB 2.300 . 2.800 2.641 2.588 2.702 . 0 0 "[ . 1 . 2]" 1
415 1 30 VAL H 1 30 VAL MG2 2.810 . 3.820 2.569 2.459 2.630 . 0 0 "[ . 1 . 2]" 1
416 1 30 VAL HA 1 31 ASN H 2.190 . 2.580 2.149 2.099 2.191 . 0 0 "[ . 1 . 2]" 1
417 1 30 VAL HA 1 37 ALA HA 2.480 . 3.160 2.125 1.983 2.414 . 0 0 "[ . 1 . 2]" 1
418 1 30 VAL HA 1 37 ALA MB 3.180 . 4.570 3.102 2.727 3.587 . 0 0 "[ . 1 . 2]" 1
419 1 30 VAL HA 1 38 TYR H 2.750 . 3.700 3.335 2.875 3.698 . 0 0 "[ . 1 . 2]" 1
420 1 30 VAL HB 1 31 ASN H 3.070 . 4.340 4.183 4.069 4.308 . 0 0 "[ . 1 . 2]" 1
421 1 30 VAL HB 1 55 TRP HE1 3.900 . 6.000 5.616 4.913 6.024 0.024 7 0 "[ . 1 . 2]" 1
422 1 30 VAL MG1 1 31 ASN H 2.930 . 4.070 2.739 2.539 2.968 . 0 0 "[ . 1 . 2]" 1
423 1 30 VAL MG1 1 31 ASN QB 4.500 . 7.210 4.077 3.864 4.233 . 0 0 "[ . 1 . 2]" 1
424 1 30 VAL MG1 1 32 GLU H 3.560 . 5.330 3.957 3.674 4.372 . 0 0 "[ . 1 . 2]" 1
425 1 30 VAL MG1 1 32 GLU HA 3.340 . 4.890 3.295 2.965 3.814 . 0 0 "[ . 1 . 2]" 1
426 1 30 VAL MG1 1 36 LEU H 4.370 . 6.950 3.639 3.045 4.178 . 0 0 "[ . 1 . 2]" 1
427 1 30 VAL MG1 1 37 ALA HA 3.540 . 5.290 3.254 2.804 3.742 . 0 0 "[ . 1 . 2]" 1
428 1 30 VAL MG1 1 37 ALA MB 4.050 . 6.310 2.761 2.244 3.585 . 0 0 "[ . 1 . 2]" 1
429 1 30 VAL MG1 1 55 TRP HD1 3.420 . 5.040 2.551 1.979 3.013 . 0 0 "[ . 1 . 2]" 1
430 1 30 VAL MG1 1 55 TRP HE1 3.430 . 5.070 4.301 3.506 5.023 . 0 0 "[ . 1 . 2]" 1
431 1 30 VAL MG2 1 31 ASN H 3.920 . 6.050 4.092 4.007 4.178 . 0 0 "[ . 1 . 2]" 1
432 1 30 VAL MG2 1 37 ALA HA 3.130 . 4.460 2.908 2.250 3.441 . 0 0 "[ . 1 . 2]" 1
433 1 30 VAL MG2 1 37 ALA MB 3.930 . 6.060 2.025 1.774 2.924 0.026 5 0 "[ . 1 . 2]" 1
434 1 30 VAL MG2 1 55 TRP HD1 4.410 . 7.020 2.792 1.896 3.373 . 0 0 "[ . 1 . 2]" 1
435 1 30 VAL MG2 1 55 TRP HE1 3.380 . 4.970 3.367 2.925 3.769 . 0 0 "[ . 1 . 2]" 1
436 1 31 ASN H 1 31 ASN HB2 2.550 . 3.300 2.819 2.583 3.035 . 0 0 "[ . 1 . 2]" 1
437 1 31 ASN H 1 31 ASN QB 2.400 . 3.000 2.347 2.240 2.470 . 0 0 "[ . 1 . 2]" 1
438 1 31 ASN H 1 31 ASN HB3 2.550 . 3.300 2.518 2.362 2.616 . 0 0 "[ . 1 . 2]" 1
439 1 31 ASN H 1 36 LEU H 2.730 . 3.660 3.366 3.077 3.657 . 0 0 "[ . 1 . 2]" 1
440 1 31 ASN H 1 36 LEU HB2 3.880 . 5.960 4.127 3.747 4.616 . 0 0 "[ . 1 . 2]" 1
441 1 31 ASN H 1 37 ALA HA 2.820 . 3.840 3.262 2.918 3.789 . 0 0 "[ . 1 . 2]" 1
442 1 31 ASN H 1 37 ALA MB 4.280 . 6.770 4.366 3.960 5.005 . 0 0 "[ . 1 . 2]" 1
443 1 31 ASN HA 1 32 GLU H 2.190 . 2.580 2.126 2.079 2.156 . 0 0 "[ . 1 . 2]" 1
444 1 31 ASN HA 1 33 ARG H 3.270 . 4.740 3.630 3.480 4.040 . 0 0 "[ . 1 . 2]" 1
445 1 31 ASN QB 1 34 LEU HB3 3.850 . 5.910 4.449 3.650 5.501 . 0 0 "[ . 1 . 2]" 1
446 1 31 ASN QB 1 34 LEU MD1 4.650 . 7.500 3.373 2.317 4.169 . 0 0 "[ . 1 . 2]" 1
447 1 31 ASN QB 1 35 ASN H 3.600 . 5.400 3.829 3.208 4.398 . 0 0 "[ . 1 . 2]" 1
448 1 31 ASN QB 1 36 LEU H 3.070 . 4.340 2.977 2.170 3.721 . 0 0 "[ . 1 . 2]" 1
449 1 31 ASN QB 1 36 LEU HB2 3.040 . 4.290 3.285 2.530 4.033 . 0 0 "[ . 1 . 2]" 1
450 1 31 ASN QB 1 36 LEU HB3 3.980 . 6.160 4.727 3.951 5.502 . 0 0 "[ . 1 . 2]" 1
451 1 31 ASN QB 1 38 TYR QE 4.810 . 7.820 3.051 1.786 3.588 0.014 20 0 "[ . 1 . 2]" 1
452 1 31 ASN HB2 1 36 LEU H 3.500 . 5.210 4.643 3.740 5.333 0.123 4 0 "[ . 1 . 2]" 1
453 1 31 ASN HB2 1 38 TYR QE 4.890 . 7.990 3.261 1.856 3.927 . 0 0 "[ . 1 . 2]" 1
454 1 31 ASN HB3 1 36 LEU H 3.500 . 5.210 3.015 2.184 3.798 . 0 0 "[ . 1 . 2]" 1
455 1 31 ASN HB3 1 38 TYR QE 4.890 . 7.990 3.770 2.328 4.583 . 0 0 "[ . 1 . 2]" 1
456 1 31 ASN QD 1 34 LEU HB2 3.560 . 5.160 3.235 2.118 4.606 . 0 0 "[ . 1 . 2]" 1
457 1 31 ASN QD 1 34 LEU MD1 3.090 . 4.060 2.490 1.936 3.770 . 0 0 "[ . 1 . 2]" 1
458 1 31 ASN QD 1 34 LEU HG 3.630 . 5.460 2.572 1.777 3.907 0.023 4 0 "[ . 1 . 2]" 1
459 1 32 GLU H 1 32 GLU HB2 2.420 . 3.050 2.504 2.335 3.578 0.528 3 1 "[ + . 1 . 2]" 1
460 1 32 GLU H 1 32 GLU HB3 2.420 . 3.050 2.782 2.442 3.605 0.555 10 3 "[ . - + . *2]" 1
461 1 32 GLU H 1 32 GLU HG2 3.430 . 5.060 4.241 1.802 4.593 . 0 0 "[ . 1 . 2]" 1
462 1 32 GLU H 1 32 GLU QG 3.330 . 4.860 3.620 1.787 4.069 0.013 3 0 "[ . 1 . 2]" 1
463 1 32 GLU H 1 32 GLU HG3 3.430 . 5.060 4.031 2.179 4.542 . 0 0 "[ . 1 . 2]" 1
464 1 32 GLU H 1 33 ARG H 2.550 . 3.300 2.538 2.352 2.801 . 0 0 "[ . 1 . 2]" 1
465 1 32 GLU HA 1 32 GLU HG2 2.800 . 3.800 3.123 2.557 3.743 . 0 0 "[ . 1 . 2]" 1
466 1 32 GLU HA 1 32 GLU HG3 2.800 . 3.800 2.642 2.305 3.805 0.005 3 0 "[ . 1 . 2]" 1
467 1 32 GLU HA 1 35 ASN H 2.890 . 3.980 3.415 2.840 3.995 0.015 18 0 "[ . 1 . 2]" 1
468 1 32 GLU HA 1 35 ASN HA 2.980 . 4.160 3.488 2.861 4.173 0.013 4 0 "[ . 1 . 2]" 1
469 1 32 GLU QB 1 33 ARG H 2.910 . 4.030 3.168 2.536 3.729 . 0 0 "[ . 1 . 2]" 1
470 1 32 GLU HB2 1 33 ARG H 3.140 . 4.490 3.964 3.026 4.432 . 0 0 "[ . 1 . 2]" 1
471 1 32 GLU HB3 1 33 ARG H 3.140 . 4.490 3.463 2.574 4.290 . 0 0 "[ . 1 . 2]" 1
472 1 33 ARG H 1 33 ARG HB2 2.400 . 3.010 2.456 2.310 2.672 . 0 0 "[ . 1 . 2]" 1
473 1 33 ARG H 1 33 ARG HB3 2.930 . 4.060 3.613 3.558 3.685 . 0 0 "[ . 1 . 2]" 1
474 1 33 ARG H 1 33 ARG HG2 2.930 . 4.060 3.672 3.116 3.971 . 0 0 "[ . 1 . 2]" 1
475 1 33 ARG H 1 33 ARG QG 2.690 . 3.590 2.515 1.904 3.315 . 0 0 "[ . 1 . 2]" 1
476 1 33 ARG H 1 33 ARG HG3 2.930 . 4.060 2.608 1.919 4.296 0.236 16 0 "[ . 1 . 2]" 1
477 1 33 ARG H 1 34 LEU H 2.570 . 3.340 2.416 2.171 2.650 . 0 0 "[ . 1 . 2]" 1
478 1 33 ARG H 1 35 ASN H 3.290 . 4.780 3.524 2.657 4.163 . 0 0 "[ . 1 . 2]" 1
479 1 33 ARG HA 1 33 ARG HG2 2.690 . 3.590 2.667 2.489 3.613 0.023 20 0 "[ . 1 . 2]" 1
480 1 33 ARG HA 1 33 ARG QG 2.590 . 3.390 2.453 2.336 2.620 . 0 0 "[ . 1 . 2]" 1
481 1 33 ARG HA 1 33 ARG HG3 2.690 . 3.590 3.011 2.372 3.665 0.075 16 0 "[ . 1 . 2]" 1
482 1 33 ARG HB2 1 33 ARG HE 3.450 . 5.100 3.736 2.137 5.163 0.063 16 0 "[ . 1 . 2]" 1
483 1 33 ARG HB2 1 34 LEU H 2.690 . 3.590 2.850 2.085 3.846 0.256 4 0 "[ . 1 . 2]" 1
484 1 33 ARG HB3 1 33 ARG HE 3.450 . 5.100 3.607 2.133 4.953 . 0 0 "[ . 1 . 2]" 1
485 1 33 ARG HB3 1 34 LEU H 3.120 . 4.450 3.769 2.875 4.313 . 0 0 "[ . 1 . 2]" 1
486 1 34 LEU H 1 34 LEU HB2 2.350 . 2.900 2.544 2.471 2.645 . 0 0 "[ . 1 . 2]" 1
487 1 34 LEU H 1 34 LEU MD1 3.690 . 5.580 3.923 3.478 4.232 . 0 0 "[ . 1 . 2]" 1
488 1 34 LEU H 1 34 LEU MD2 3.630 . 5.470 3.641 3.328 3.935 . 0 0 "[ . 1 . 2]" 1
489 1 34 LEU H 1 34 LEU HG 2.530 . 3.260 2.800 2.352 3.336 0.076 4 0 "[ . 1 . 2]" 1
490 1 34 LEU H 1 35 ASN H 2.190 . 2.580 2.087 1.849 2.477 . 0 0 "[ . 1 . 2]" 1
491 1 34 LEU HA 1 34 LEU HB3 2.350 . 2.900 2.476 2.415 2.561 . 0 0 "[ . 1 . 2]" 1
492 1 34 LEU HA 1 34 LEU MD1 3.490 . 5.180 3.854 3.801 3.953 . 0 0 "[ . 1 . 2]" 1
493 1 34 LEU HA 1 34 LEU MD2 2.620 . 3.450 2.014 1.891 2.264 . 0 0 "[ . 1 . 2]" 1
494 1 34 LEU HA 1 34 LEU HG 2.710 . 3.620 3.119 2.997 3.200 . 0 0 "[ . 1 . 2]" 1
495 1 34 LEU HB2 1 34 LEU MD1 2.610 . 3.420 2.330 2.244 2.360 . 0 0 "[ . 1 . 2]" 1
496 1 34 LEU HB2 1 35 ASN H 2.890 . 3.980 3.286 2.972 3.560 . 0 0 "[ . 1 . 2]" 1
497 1 34 LEU HB3 1 34 LEU MD1 2.610 . 3.420 2.370 2.325 2.497 . 0 0 "[ . 1 . 2]" 1
498 1 34 LEU HB3 1 34 LEU MD2 2.610 . 3.420 2.379 2.261 2.413 . 0 0 "[ . 1 . 2]" 1
499 1 34 LEU HG 1 35 ASN H 3.610 . 5.420 4.578 4.319 4.801 . 0 0 "[ . 1 . 2]" 1
500 1 35 ASN H 1 35 ASN HA 2.240 . 2.690 2.269 2.245 2.281 . 0 0 "[ . 1 . 2]" 1
501 1 35 ASN H 1 35 ASN QD 4.330 . 6.860 4.254 2.805 5.306 . 0 0 "[ . 1 . 2]" 1
502 1 35 ASN HA 1 36 LEU H 2.390 . 2.980 2.813 2.411 3.008 0.028 19 0 "[ . 1 . 2]" 1
503 1 35 ASN QB 1 55 TRP H 3.920 . 6.050 4.088 2.785 4.960 . 0 0 "[ . 1 . 2]" 1
504 1 35 ASN QD 1 55 TRP H 4.090 . 6.390 4.013 2.514 6.093 . 0 0 "[ . 1 . 2]" 1
505 1 36 LEU H 1 36 LEU HB2 2.400 . 3.010 2.596 2.574 2.723 . 0 0 "[ . 1 . 2]" 1
506 1 36 LEU H 1 36 LEU MD1 3.990 . 6.190 4.051 3.963 4.222 . 0 0 "[ . 1 . 2]" 1
507 1 36 LEU H 1 36 LEU MD2 3.740 . 5.690 3.769 3.708 3.919 . 0 0 "[ . 1 . 2]" 1
508 1 36 LEU H 1 36 LEU HG 2.800 . 3.800 2.998 2.912 3.247 . 0 0 "[ . 1 . 2]" 1
509 1 36 LEU HA 1 36 LEU HB3 2.390 . 2.980 2.481 2.458 2.495 . 0 0 "[ . 1 . 2]" 1
510 1 36 LEU HA 1 36 LEU MD1 3.700 . 5.610 3.865 3.852 3.887 . 0 0 "[ . 1 . 2]" 1
511 1 36 LEU HA 1 36 LEU MD2 2.610 . 3.420 2.020 1.987 2.074 . 0 0 "[ . 1 . 2]" 1
512 1 36 LEU HA 1 37 ALA H 2.210 . 2.620 2.275 2.163 2.424 . 0 0 "[ . 1 . 2]" 1
513 1 36 LEU HA 1 52 ALA MB 4.050 . 6.300 4.295 3.735 4.978 . 0 0 "[ . 1 . 2]" 1
514 1 36 LEU HA 1 54 GLU HA 2.480 . 3.160 2.583 2.042 3.048 . 0 0 "[ . 1 . 2]" 1
515 1 36 LEU HA 1 55 TRP H 2.750 . 3.700 2.971 2.664 3.611 . 0 0 "[ . 1 . 2]" 1
516 1 36 LEU HB2 1 37 ALA H 3.020 . 4.240 3.880 3.662 4.106 . 0 0 "[ . 1 . 2]" 1
517 1 36 LEU HB3 1 36 LEU MD1 2.640 . 3.490 2.378 2.357 2.415 . 0 0 "[ . 1 . 2]" 1
518 1 36 LEU MD2 1 37 ALA H 3.560 . 5.330 3.453 3.371 3.534 . 0 0 "[ . 1 . 2]" 1
519 1 36 LEU MD2 1 52 ALA MB 3.490 . 5.190 3.004 2.161 3.454 . 0 0 "[ . 1 . 2]" 1
520 1 37 ALA H 1 37 ALA MB 2.710 . 3.630 2.474 2.457 2.517 . 0 0 "[ . 1 . 2]" 1
521 1 37 ALA H 1 52 ALA MB 3.780 . 5.760 3.744 2.979 4.783 . 0 0 "[ . 1 . 2]" 1
522 1 37 ALA H 1 53 THR H 2.400 . 3.010 2.995 2.776 3.099 0.089 18 0 "[ . 1 . 2]" 1
523 1 37 ALA H 1 55 TRP QB 4.340 . 6.880 3.399 3.033 3.853 . 0 0 "[ . 1 . 2]" 1
524 1 37 ALA HA 1 38 TYR H 2.210 . 2.620 2.145 2.091 2.170 . 0 0 "[ . 1 . 2]" 1
525 1 37 ALA MB 1 38 TYR H 2.980 . 4.170 2.909 2.832 3.066 . 0 0 "[ . 1 . 2]" 1
526 1 37 ALA MB 1 38 TYR QD 4.800 . 7.810 4.763 4.634 4.944 . 0 0 "[ . 1 . 2]" 1
527 1 37 ALA MB 1 53 THR H 3.400 . 5.000 3.714 3.425 4.093 . 0 0 "[ . 1 . 2]" 1
528 1 37 ALA MB 1 55 TRP HB2 3.020 . 4.250 2.096 1.804 2.383 . 0 0 "[ . 1 . 2]" 1
529 1 37 ALA MB 1 55 TRP QB 2.890 . 3.980 1.964 1.787 2.188 0.013 16 0 "[ . 1 . 2]" 1
530 1 37 ALA MB 1 55 TRP HB3 3.020 . 4.250 2.735 1.982 3.717 . 0 0 "[ . 1 . 2]" 1
531 1 37 ALA MB 1 55 TRP HD1 3.340 . 4.890 3.855 3.175 4.379 . 0 0 "[ . 1 . 2]" 1
532 1 37 ALA MB 1 55 TRP HE3 3.740 . 5.690 3.432 2.653 4.142 . 0 0 "[ . 1 . 2]" 1
533 1 38 TYR H 1 38 TYR HB2 2.730 . 3.660 2.561 2.462 2.709 . 0 0 "[ . 1 . 2]" 1
534 1 38 TYR H 1 38 TYR QB 2.520 . 3.250 2.517 2.426 2.652 . 0 0 "[ . 1 . 2]" 1
535 1 38 TYR H 1 38 TYR HB3 2.730 . 3.660 3.711 3.664 3.778 0.118 11 0 "[ . 1 . 2]" 1
536 1 38 TYR HA 1 39 ARG H 2.370 . 2.940 2.270 2.165 2.371 . 0 0 "[ . 1 . 2]" 1
537 1 38 TYR HA 1 53 THR H 3.360 . 4.920 4.046 3.477 4.558 . 0 0 "[ . 1 . 2]" 1
538 1 38 TYR HB2 1 47 LEU MD2 3.450 . 5.110 2.919 2.458 3.463 . 0 0 "[ . 1 . 2]" 1
539 1 38 TYR HB3 1 47 LEU MD2 3.450 . 5.110 2.640 2.034 3.068 . 0 0 "[ . 1 . 2]" 1
540 1 38 TYR QD 1 39 ARG H 4.480 . 7.160 4.015 3.640 4.399 . 0 0 "[ . 1 . 2]" 1
541 1 38 TYR QD 1 47 LEU HA 4.750 . 7.700 2.697 2.091 3.739 . 0 0 "[ . 1 . 2]" 1
542 1 38 TYR QD 1 47 LEU MD2 5.130 . 8.460 3.136 2.766 3.374 . 0 0 "[ . 1 . 2]" 1
543 1 38 TYR QE 1 49 ILE HA 4.260 . 6.730 2.979 2.105 4.322 . 0 0 "[ . 1 . 2]" 1
544 1 38 TYR QE 1 52 ALA MB 4.270 . 6.740 2.498 2.113 2.871 . 0 0 "[ . 1 . 2]" 1
545 1 39 ARG H 1 39 ARG HB2 2.710 . 3.620 2.787 2.312 3.672 0.052 13 0 "[ . 1 . 2]" 1
546 1 39 ARG H 1 39 ARG QB 2.610 . 3.420 2.537 2.281 2.835 . 0 0 "[ . 1 . 2]" 1
547 1 39 ARG H 1 39 ARG HB3 2.710 . 3.620 3.452 2.714 3.714 0.094 11 0 "[ . 1 . 2]" 1
548 1 39 ARG H 1 39 ARG HG2 2.890 . 3.980 3.299 1.978 4.292 0.312 3 0 "[ . 1 . 2]" 1
549 1 39 ARG H 1 39 ARG QG 2.770 . 3.750 2.413 1.946 3.380 . 0 0 "[ . 1 . 2]" 1
550 1 39 ARG H 1 39 ARG HG3 2.890 . 3.980 2.694 2.213 3.537 . 0 0 "[ . 1 . 2]" 1
551 1 39 ARG H 1 46 VAL HB 3.480 . 5.170 3.220 2.558 4.449 . 0 0 "[ . 1 . 2]" 1
552 1 39 ARG H 1 46 VAL MG2 3.920 . 6.050 4.345 3.595 5.323 . 0 0 "[ . 1 . 2]" 1
553 1 39 ARG HA 1 39 ARG HG2 2.930 . 4.060 2.880 2.266 3.757 . 0 0 "[ . 1 . 2]" 1
554 1 39 ARG HA 1 39 ARG QG 2.850 . 3.910 2.677 2.176 3.351 . 0 0 "[ . 1 . 2]" 1
555 1 39 ARG HA 1 39 ARG HG3 2.930 . 4.060 3.252 2.704 3.774 . 0 0 "[ . 1 . 2]" 1
556 1 39 ARG HA 1 40 ILE H 2.220 . 2.650 2.208 2.151 2.402 . 0 0 "[ . 1 . 2]" 1
557 1 39 ARG QB 1 46 VAL MG2 3.950 . 6.100 3.534 2.939 5.096 . 0 0 "[ . 1 . 2]" 1
558 1 39 ARG HB2 1 40 ILE H 2.710 . 3.620 3.738 2.909 4.211 0.591 3 3 "[* + . - 1 . 2]" 1
559 1 39 ARG HB3 1 40 ILE H 2.710 . 3.620 3.241 2.472 4.060 0.440 13 0 "[ . 1 . 2]" 1
560 1 40 ILE H 1 40 ILE HB 2.420 . 3.050 2.585 2.537 2.694 . 0 0 "[ . 1 . 2]" 1
561 1 40 ILE H 1 40 ILE MD 3.870 . 5.940 3.878 3.706 4.128 . 0 0 "[ . 1 . 2]" 1
562 1 40 ILE H 1 40 ILE QG 3.040 . 4.290 2.548 2.341 2.890 . 0 0 "[ . 1 . 2]" 1
563 1 40 ILE HA 1 40 ILE HG12 2.730 . 3.660 2.564 2.486 2.619 . 0 0 "[ . 1 . 2]" 1
564 1 40 ILE HA 1 40 ILE HG13 2.730 . 3.660 3.066 3.003 3.111 . 0 0 "[ . 1 . 2]" 1
565 1 40 ILE HA 1 40 ILE MG 2.660 . 3.530 2.388 2.347 2.449 . 0 0 "[ . 1 . 2]" 1
566 1 40 ILE HA 1 41 ASP H 2.130 . 2.470 2.159 2.136 2.211 . 0 0 "[ . 1 . 2]" 1
567 1 40 ILE HA 1 45 PRO HA 2.170 . 2.540 2.019 1.779 2.287 0.021 11 0 "[ . 1 . 2]" 1
568 1 40 ILE HA 1 45 PRO QB 3.940 . 6.090 3.748 3.225 4.068 . 0 0 "[ . 1 . 2]" 1
569 1 40 ILE HA 1 46 VAL H 2.600 . 3.410 2.750 2.368 3.147 . 0 0 "[ . 1 . 2]" 1
570 1 40 ILE HA 1 46 VAL MG2 3.360 . 4.930 3.423 2.703 3.886 . 0 0 "[ . 1 . 2]" 1
571 1 40 ILE HB 1 40 ILE MD 2.730 . 3.670 2.431 2.415 2.447 . 0 0 "[ . 1 . 2]" 1
572 1 40 ILE MD 1 45 PRO HA 3.710 . 5.620 3.949 3.599 4.460 . 0 0 "[ . 1 . 2]" 1
573 1 40 ILE MD 1 45 PRO QB 3.840 . 5.890 3.274 2.788 3.844 . 0 0 "[ . 1 . 2]" 1
574 1 40 ILE MD 1 45 PRO QD 4.850 . 7.910 4.453 3.774 5.091 . 0 0 "[ . 1 . 2]" 1
575 1 40 ILE MD 1 45 PRO HG2 4.160 . 6.520 4.985 4.193 6.354 . 0 0 "[ . 1 . 2]" 1
576 1 40 ILE MD 1 45 PRO QG 3.750 . 5.710 3.647 2.837 5.080 . 0 0 "[ . 1 . 2]" 1
577 1 40 ILE MD 1 45 PRO HG3 4.160 . 6.520 3.760 2.881 5.342 . 0 0 "[ . 1 . 2]" 1
578 1 40 ILE QG 1 45 PRO HA 2.700 . 3.600 2.328 1.950 2.849 . 0 0 "[ . 1 . 2]" 1
579 1 40 ILE QG 1 45 PRO QB 3.660 . 5.530 2.313 1.833 2.732 . 0 0 "[ . 1 . 2]" 1
580 1 40 ILE QG 1 45 PRO QD 4.750 . 7.700 4.232 3.808 4.737 . 0 0 "[ . 1 . 2]" 1
581 1 40 ILE QG 1 46 VAL H 4.000 . 6.200 3.832 3.331 4.311 . 0 0 "[ . 1 . 2]" 1
582 1 40 ILE HG12 1 45 PRO HA 2.910 . 4.020 2.356 1.962 2.914 . 0 0 "[ . 1 . 2]" 1
583 1 40 ILE HG13 1 45 PRO HA 2.910 . 4.020 3.658 3.419 4.021 0.001 5 0 "[ . 1 . 2]" 1
584 1 40 ILE MG 1 41 ASP H 3.220 . 4.640 2.883 2.495 3.036 . 0 0 "[ . 1 . 2]" 1
585 1 40 ILE MG 1 43 GLY H 2.890 . 3.990 2.492 1.813 3.024 . 0 0 "[ . 1 . 2]" 1
586 1 40 ILE MG 1 43 GLY HA2 3.420 . 5.040 3.065 2.494 3.662 . 0 0 "[ . 1 . 2]" 1
587 1 40 ILE MG 1 43 GLY QA 3.110 . 4.430 2.987 2.458 3.525 . 0 0 "[ . 1 . 2]" 1
588 1 40 ILE MG 1 43 GLY HA3 3.420 . 5.040 4.175 3.684 4.641 . 0 0 "[ . 1 . 2]" 1
589 1 40 ILE MG 1 44 ILE H 2.860 . 3.920 3.076 2.644 3.380 . 0 0 "[ . 1 . 2]" 1
590 1 40 ILE MG 1 44 ILE HA 3.380 . 4.970 3.820 3.521 4.293 . 0 0 "[ . 1 . 2]" 1
591 1 40 ILE MG 1 45 PRO HA 3.270 . 4.750 2.757 2.439 3.193 . 0 0 "[ . 1 . 2]" 1
592 1 40 ILE MG 1 45 PRO QD 3.810 . 5.820 3.145 2.612 3.761 . 0 0 "[ . 1 . 2]" 1
593 1 40 ILE MG 1 45 PRO HG2 3.900 . 6.010 4.580 3.783 5.411 . 0 0 "[ . 1 . 2]" 1
594 1 40 ILE MG 1 45 PRO QG 3.500 . 5.200 3.319 2.265 4.460 . 0 0 "[ . 1 . 2]" 1
595 1 40 ILE MG 1 45 PRO HG3 3.900 . 6.010 3.444 2.283 4.749 . 0 0 "[ . 1 . 2]" 1
596 1 41 ASP H 1 41 ASP HB2 2.570 . 3.340 2.899 2.713 3.111 . 0 0 "[ . 1 . 2]" 1
597 1 41 ASP H 1 41 ASP QB 2.410 . 3.020 2.442 2.351 2.562 . 0 0 "[ . 1 . 2]" 1
598 1 41 ASP H 1 41 ASP HB3 2.570 . 3.340 2.634 2.499 2.762 . 0 0 "[ . 1 . 2]" 1
599 1 41 ASP H 1 44 ILE H 2.580 . 3.370 3.306 2.996 3.433 0.063 15 0 "[ . 1 . 2]" 1
600 1 41 ASP H 1 44 ILE HB 2.960 . 4.130 3.645 3.110 4.055 . 0 0 "[ . 1 . 2]" 1
601 1 41 ASP H 1 45 PRO HA 3.070 . 4.340 3.395 3.047 3.742 . 0 0 "[ . 1 . 2]" 1
602 1 41 ASP H 1 46 VAL H 3.020 . 4.240 3.583 3.223 3.909 . 0 0 "[ . 1 . 2]" 1
603 1 41 ASP H 1 46 VAL MG2 2.880 . 3.960 2.913 2.360 3.421 . 0 0 "[ . 1 . 2]" 1
604 1 41 ASP HA 1 42 ASP H 2.240 . 2.690 2.150 2.107 2.193 . 0 0 "[ . 1 . 2]" 1
605 1 41 ASP QB 1 44 ILE HB 4.340 . 6.880 3.345 2.694 4.232 . 0 0 "[ . 1 . 2]" 1
606 1 41 ASP QB 1 46 VAL MG2 2.970 . 4.140 2.681 2.220 3.375 . 0 0 "[ . 1 . 2]" 1
607 1 41 ASP HB2 1 46 VAL MG2 3.130 . 4.460 3.025 2.436 3.744 . 0 0 "[ . 1 . 2]" 1
608 1 41 ASP HB3 1 46 VAL MG2 3.130 . 4.460 3.042 2.487 3.837 . 0 0 "[ . 1 . 2]" 1
609 1 42 ASP H 1 42 ASP HA 2.220 . 2.650 2.264 2.257 2.272 . 0 0 "[ . 1 . 2]" 1
610 1 42 ASP H 1 42 ASP HB2 2.870 . 3.950 3.037 2.882 3.164 . 0 0 "[ . 1 . 2]" 1
611 1 42 ASP H 1 42 ASP QB 2.730 . 3.670 2.888 2.777 2.971 . 0 0 "[ . 1 . 2]" 1
612 1 42 ASP H 1 42 ASP HB3 2.870 . 3.950 3.615 3.525 3.694 . 0 0 "[ . 1 . 2]" 1
613 1 42 ASP H 1 43 GLY H 2.480 . 3.160 2.919 2.615 3.218 0.058 7 0 "[ . 1 . 2]" 1
614 1 42 ASP HA 1 42 ASP HB2 2.400 . 3.010 2.505 2.439 2.563 . 0 0 "[ . 1 . 2]" 1
615 1 42 ASP HA 1 42 ASP HB3 2.400 . 3.010 3.022 3.010 3.034 0.024 12 0 "[ . 1 . 2]" 1
616 1 42 ASP HA 1 43 GLY H 2.480 . 3.160 2.691 2.369 3.093 . 0 0 "[ . 1 . 2]" 1
617 1 42 ASP QB 1 44 ILE MD 4.100 . 6.410 4.178 2.601 5.398 . 0 0 "[ . 1 . 2]" 1
618 1 42 ASP HB2 1 44 ILE MD 4.410 . 7.020 5.732 4.089 7.025 0.005 11 0 "[ . 1 . 2]" 1
619 1 42 ASP HB3 1 44 ILE MD 4.410 . 7.020 4.298 2.631 5.609 . 0 0 "[ . 1 . 2]" 1
620 1 43 GLY H 1 44 ILE H 2.440 . 3.080 2.603 2.092 2.852 . 0 0 "[ . 1 . 2]" 1
621 1 44 ILE H 1 44 ILE HB 2.370 . 2.940 2.593 2.539 2.659 . 0 0 "[ . 1 . 2]" 1
622 1 44 ILE H 1 44 ILE MD 3.800 . 5.800 3.743 2.214 4.104 . 0 0 "[ . 1 . 2]" 1
623 1 44 ILE H 1 44 ILE HG12 3.090 . 4.380 3.771 2.670 4.271 . 0 0 "[ . 1 . 2]" 1
624 1 44 ILE H 1 44 ILE QG 2.940 . 4.090 2.729 2.555 3.494 . 0 0 "[ . 1 . 2]" 1
625 1 44 ILE H 1 44 ILE HG13 3.090 . 4.380 2.925 2.598 4.285 . 0 0 "[ . 1 . 2]" 1
626 1 44 ILE HA 1 44 ILE QG 2.890 . 3.980 2.458 2.347 2.948 . 0 0 "[ . 1 . 2]" 1
627 1 44 ILE HA 1 44 ILE MG 2.640 . 3.490 2.402 2.371 2.464 . 0 0 "[ . 1 . 2]" 1
628 1 44 ILE HA 1 45 PRO HD2 2.460 . 3.120 2.363 1.894 2.637 . 0 0 "[ . 1 . 2]" 1
629 1 44 ILE HA 1 45 PRO QD 2.230 . 2.660 1.869 1.784 1.959 0.016 16 0 "[ . 1 . 2]" 1
630 1 44 ILE HA 1 45 PRO HD3 2.460 . 3.120 2.085 1.815 2.521 . 0 0 "[ . 1 . 2]" 1
631 1 44 ILE MD 1 44 ILE MG 3.120 . 4.440 2.064 1.881 3.206 . 0 0 "[ . 1 . 2]" 1
632 1 44 ILE MG 1 45 PRO HD2 3.540 . 5.290 2.853 2.489 3.271 . 0 0 "[ . 1 . 2]" 1
633 1 44 ILE MG 1 45 PRO QD 3.280 . 4.760 2.747 2.455 3.074 . 0 0 "[ . 1 . 2]" 1
634 1 44 ILE MG 1 45 PRO HD3 3.540 . 5.290 3.668 3.373 4.033 . 0 0 "[ . 1 . 2]" 1
635 1 45 PRO HA 1 46 VAL H 2.170 . 2.540 2.164 2.133 2.190 . 0 0 "[ . 1 . 2]" 1
636 1 45 PRO QB 1 47 LEU MD2 3.820 . 5.850 2.897 2.648 3.232 . 0 0 "[ . 1 . 2]" 1
637 1 45 PRO QB 1 47 LEU HG 3.150 . 4.510 2.557 2.105 2.958 . 0 0 "[ . 1 . 2]" 1
638 1 46 VAL H 1 46 VAL HB 2.370 . 2.940 2.575 2.495 2.683 . 0 0 "[ . 1 . 2]" 1
639 1 46 VAL H 1 46 VAL MG2 2.700 . 3.600 2.185 2.037 2.344 . 0 0 "[ . 1 . 2]" 1
640 1 46 VAL HA 1 46 VAL MG1 2.610 . 3.420 2.361 2.280 2.406 . 0 0 "[ . 1 . 2]" 1
641 1 46 VAL HA 1 46 VAL MG2 2.620 . 3.450 2.439 2.388 2.512 . 0 0 "[ . 1 . 2]" 1
642 1 46 VAL HA 1 47 LEU H 2.170 . 2.540 2.218 2.158 2.311 . 0 0 "[ . 1 . 2]" 1
643 1 46 VAL MG1 1 47 LEU H 3.720 . 5.650 3.404 2.939 3.660 . 0 0 "[ . 1 . 2]" 1
644 1 46 VAL MG1 1 48 LEU H 3.330 . 4.860 2.766 2.028 3.655 . 0 0 "[ . 1 . 2]" 1
645 1 46 VAL MG1 1 48 LEU QB 3.210 . 4.620 2.685 2.164 3.225 . 0 0 "[ . 1 . 2]" 1
646 1 46 VAL MG1 1 51 GLU HB2 3.040 . 4.280 3.212 2.385 3.987 . 0 0 "[ . 1 . 2]" 1
647 1 46 VAL MG1 1 51 GLU QB 2.950 . 4.100 2.778 2.144 3.393 . 0 0 "[ . 1 . 2]" 1
648 1 46 VAL MG1 1 51 GLU HB3 3.040 . 4.280 3.112 2.429 4.031 . 0 0 "[ . 1 . 2]" 1
649 1 46 VAL MG1 1 51 GLU QG 3.440 . 5.090 2.480 1.766 4.022 0.024 1 0 "[ . 1 . 2]" 1
650 1 46 VAL MG2 1 47 LEU H 3.830 . 5.870 4.283 4.185 4.358 . 0 0 "[ . 1 . 2]" 1
651 1 47 LEU H 1 47 LEU HB2 2.350 . 2.900 2.497 2.440 2.582 . 0 0 "[ . 1 . 2]" 1
652 1 47 LEU H 1 47 LEU HB3 2.870 . 3.950 3.658 3.616 3.727 . 0 0 "[ . 1 . 2]" 1
653 1 47 LEU H 1 47 LEU MD1 3.670 . 5.540 3.829 3.736 3.998 . 0 0 "[ . 1 . 2]" 1
654 1 47 LEU H 1 47 LEU MD2 3.540 . 5.290 3.519 3.398 3.655 . 0 0 "[ . 1 . 2]" 1
655 1 47 LEU H 1 47 LEU HG 2.600 . 3.410 2.628 2.520 2.829 . 0 0 "[ . 1 . 2]" 1
656 1 47 LEU H 1 48 LEU H 2.940 . 4.090 3.563 2.673 4.105 0.015 1 0 "[ . 1 . 2]" 1
657 1 47 LEU HA 1 47 LEU HB3 2.310 . 2.830 2.467 2.435 2.490 . 0 0 "[ . 1 . 2]" 1
658 1 47 LEU HA 1 47 LEU MD1 3.470 . 5.150 3.855 3.830 3.882 . 0 0 "[ . 1 . 2]" 1
659 1 47 LEU HA 1 47 LEU MD2 2.720 . 3.640 2.021 1.991 2.092 . 0 0 "[ . 1 . 2]" 1
660 1 47 LEU HA 1 47 LEU HG 2.940 . 4.090 3.143 3.105 3.199 . 0 0 "[ . 1 . 2]" 1
661 1 47 LEU HA 1 48 LEU H 2.260 . 2.720 2.464 2.201 2.848 0.128 17 0 "[ . 1 . 2]" 1
662 1 47 LEU HB2 1 47 LEU MD1 2.770 . 3.740 2.338 2.307 2.365 . 0 0 "[ . 1 . 2]" 1
663 1 47 LEU MD2 1 48 LEU H 3.870 . 5.940 4.116 3.840 4.405 . 0 0 "[ . 1 . 2]" 1
664 1 48 LEU H 1 48 LEU HB2 2.760 . 3.730 2.553 2.249 2.719 . 0 0 "[ . 1 . 2]" 1
665 1 48 LEU H 1 48 LEU QB 2.540 . 3.290 2.510 2.224 2.664 . 0 0 "[ . 1 . 2]" 1
666 1 48 LEU H 1 48 LEU HB3 2.760 . 3.730 3.714 3.525 3.818 0.088 4 0 "[ . 1 . 2]" 1
667 1 48 LEU H 1 48 LEU MD1 4.410 . 7.020 3.952 2.692 4.245 . 0 0 "[ . 1 . 2]" 1
668 1 48 LEU H 1 48 LEU MD2 4.410 . 7.020 3.599 2.193 4.429 . 0 0 "[ . 1 . 2]" 1
669 1 48 LEU H 1 48 LEU HG 2.940 . 4.090 3.250 2.610 4.127 0.037 13 0 "[ . 1 . 2]" 1
670 1 48 LEU H 1 49 ILE H 3.470 . 5.140 4.418 4.262 4.531 . 0 0 "[ . 1 . 2]" 1
671 1 48 LEU HA 1 48 LEU MD1 3.350 . 4.900 3.515 1.858 3.875 . 0 0 "[ . 1 . 2]" 1
672 1 48 LEU HA 1 48 LEU QD 2.930 . 4.060 2.018 1.837 2.830 . 0 0 "[ . 1 . 2]" 1
673 1 48 LEU HA 1 48 LEU MD2 3.350 . 4.900 2.197 1.935 3.687 . 0 0 "[ . 1 . 2]" 1
674 1 48 LEU HA 1 48 LEU HG 3.030 . 4.270 3.149 2.401 3.703 . 0 0 "[ . 1 . 2]" 1
675 1 48 LEU HA 1 49 ILE H 2.190 . 2.580 2.220 2.102 2.493 . 0 0 "[ . 1 . 2]" 1
676 1 48 LEU HA 1 49 ILE QG 4.050 . 6.300 3.609 3.352 4.745 . 0 0 "[ . 1 . 2]" 1
677 1 48 LEU HA 1 50 ASP H 3.120 . 4.450 4.145 3.778 4.531 0.081 1 0 "[ . 1 . 2]" 1
678 1 48 LEU QB 1 49 ILE H 2.970 . 4.150 2.912 2.169 3.299 . 0 0 "[ . 1 . 2]" 1
679 1 48 LEU QB 1 50 ASP H 2.760 . 3.730 2.952 2.236 3.447 . 0 0 "[ . 1 . 2]" 1
680 1 48 LEU QB 1 51 GLU H 2.610 . 3.420 2.630 2.380 2.983 . 0 0 "[ . 1 . 2]" 1
681 1 48 LEU QB 1 51 GLU QB 3.390 . 4.980 2.036 1.779 2.801 0.021 11 0 "[ . 1 . 2]" 1
682 1 48 LEU QB 1 51 GLU QG 3.340 . 4.890 2.796 1.772 3.840 0.018 3 0 "[ . 1 . 2]" 1
683 1 48 LEU HB2 1 48 LEU HG 2.390 . 2.980 2.494 2.434 3.009 0.029 13 0 "[ . 1 . 2]" 1
684 1 48 LEU HB2 1 49 ILE H 3.290 . 4.780 4.039 3.447 4.355 . 0 0 "[ . 1 . 2]" 1
685 1 48 LEU HB2 1 50 ASP H 3.020 . 4.240 4.125 3.240 4.682 0.442 9 0 "[ . 1 . 2]" 1
686 1 48 LEU HB2 1 51 GLU H 2.690 . 3.590 2.975 2.626 3.483 . 0 0 "[ . 1 . 2]" 1
687 1 48 LEU HB2 1 51 GLU HB2 4.180 . 6.570 2.220 1.808 3.047 . 0 0 "[ . 1 . 2]" 1
688 1 48 LEU HB2 1 51 GLU HB3 4.180 . 6.570 3.115 1.909 4.279 . 0 0 "[ . 1 . 2]" 1
689 1 48 LEU HB2 1 51 GLU HG2 3.820 . 5.850 3.158 1.857 4.427 . 0 0 "[ . 1 . 2]" 1
690 1 48 LEU HB2 1 51 GLU HG3 3.820 . 5.850 3.544 2.298 4.838 . 0 0 "[ . 1 . 2]" 1
691 1 48 LEU HB3 1 48 LEU HG 2.390 . 2.980 2.905 2.368 3.023 0.043 17 0 "[ . 1 . 2]" 1
692 1 48 LEU HB3 1 49 ILE H 3.290 . 4.780 2.991 2.192 3.429 . 0 0 "[ . 1 . 2]" 1
693 1 48 LEU HB3 1 50 ASP H 3.020 . 4.240 3.028 2.279 3.557 . 0 0 "[ . 1 . 2]" 1
694 1 48 LEU HB3 1 51 GLU H 2.690 . 3.590 3.018 2.437 3.804 0.214 3 0 "[ . 1 . 2]" 1
695 1 48 LEU HB3 1 51 GLU HB2 4.180 . 6.570 3.286 2.636 4.354 . 0 0 "[ . 1 . 2]" 1
696 1 48 LEU HB3 1 51 GLU HB3 4.180 . 6.570 4.476 2.680 5.838 . 0 0 "[ . 1 . 2]" 1
697 1 48 LEU HB3 1 51 GLU HG2 3.820 . 5.850 4.033 2.486 5.688 . 0 0 "[ . 1 . 2]" 1
698 1 48 LEU HB3 1 51 GLU HG3 3.820 . 5.850 4.708 3.293 6.225 0.375 8 0 "[ . 1 . 2]" 1
699 1 48 LEU QD 1 49 ILE H 4.000 . 6.200 3.367 3.055 3.937 . 0 0 "[ . 1 . 2]" 1
700 1 48 LEU QD 1 51 GLU H 4.250 . 6.700 4.041 3.796 4.452 . 0 0 "[ . 1 . 2]" 1
701 1 48 LEU QD 1 51 GLU QG 3.970 . 6.140 2.823 1.886 4.565 . 0 0 "[ . 1 . 2]" 1
702 1 48 LEU MD1 1 49 ILE H 4.240 . 6.690 4.540 3.118 5.136 . 0 0 "[ . 1 . 2]" 1
703 1 48 LEU MD2 1 49 ILE H 4.240 . 6.690 3.656 3.280 4.687 . 0 0 "[ . 1 . 2]" 1
704 1 48 LEU HG 1 49 ILE H 3.900 . 6.000 4.981 3.894 5.242 . 0 0 "[ . 1 . 2]" 1
705 1 49 ILE H 1 49 ILE HB 2.260 . 2.720 2.542 2.360 2.674 . 0 0 "[ . 1 . 2]" 1
706 1 49 ILE H 1 49 ILE MD 3.380 . 4.970 3.450 1.752 3.742 0.038 17 0 "[ . 1 . 2]" 1
707 1 49 ILE H 1 49 ILE HG12 3.160 . 4.520 3.302 2.135 3.857 . 0 0 "[ . 1 . 2]" 1
708 1 49 ILE H 1 49 ILE QG 2.890 . 3.990 2.111 1.825 3.147 . 0 0 "[ . 1 . 2]" 1
709 1 49 ILE H 1 49 ILE HG13 3.160 . 4.520 2.212 1.837 3.600 . 0 0 "[ . 1 . 2]" 1
710 1 49 ILE H 1 49 ILE MG 3.270 . 4.750 3.764 3.728 3.780 . 0 0 "[ . 1 . 2]" 1
711 1 49 ILE H 1 50 ASP H 2.490 . 3.190 2.639 2.302 3.073 . 0 0 "[ . 1 . 2]" 1
712 1 49 ILE HA 1 49 ILE HG12 2.890 . 3.980 2.622 2.343 3.618 . 0 0 "[ . 1 . 2]" 1
713 1 49 ILE HA 1 49 ILE QG 2.700 . 3.600 2.439 2.255 2.895 . 0 0 "[ . 1 . 2]" 1
714 1 49 ILE HA 1 49 ILE HG13 2.890 . 3.980 3.031 2.362 3.721 . 0 0 "[ . 1 . 2]" 1
715 1 49 ILE HA 1 49 ILE MG 2.770 . 3.740 2.408 2.315 2.541 . 0 0 "[ . 1 . 2]" 1
716 1 49 ILE HA 1 52 ALA MB 3.310 . 4.820 3.006 2.273 4.719 . 0 0 "[ . 1 . 2]" 1
717 1 49 ILE HB 1 49 ILE MD 2.700 . 3.600 2.465 2.345 3.240 . 0 0 "[ . 1 . 2]" 1
718 1 49 ILE HB 1 50 ASP H 2.490 . 3.190 2.678 2.333 3.047 . 0 0 "[ . 1 . 2]" 1
719 1 49 ILE MG 1 50 ASP H 3.200 . 4.610 3.489 3.059 3.917 . 0 0 "[ . 1 . 2]" 1
720 1 49 ILE MG 1 50 ASP HA 3.360 . 4.930 3.475 3.091 4.038 . 0 0 "[ . 1 . 2]" 1
721 1 50 ASP H 1 50 ASP HB2 2.620 . 3.440 2.563 2.326 2.911 . 0 0 "[ . 1 . 2]" 1
722 1 50 ASP H 1 50 ASP QB 2.420 . 3.040 2.327 2.201 2.536 . 0 0 "[ . 1 . 2]" 1
723 1 50 ASP H 1 50 ASP HB3 2.620 . 3.440 2.938 2.349 3.666 0.226 11 0 "[ . 1 . 2]" 1
724 1 50 ASP H 1 51 GLU H 2.420 . 3.050 2.499 2.178 2.652 . 0 0 "[ . 1 . 2]" 1
725 1 50 ASP QB 1 51 GLU QG 4.780 . 7.760 4.321 3.035 6.022 . 0 0 "[ . 1 . 2]" 1
726 1 51 GLU H 1 51 GLU HB2 2.960 . 4.130 2.444 2.249 2.897 . 0 0 "[ . 1 . 2]" 1
727 1 51 GLU H 1 51 GLU QB 2.640 . 3.480 2.334 2.205 2.480 . 0 0 "[ . 1 . 2]" 1
728 1 51 GLU H 1 51 GLU HB3 2.960 . 4.130 3.263 2.565 3.667 . 0 0 "[ . 1 . 2]" 1
729 1 51 GLU H 1 51 GLU HG2 3.270 . 4.740 3.600 2.431 4.757 0.017 11 0 "[ . 1 . 2]" 1
730 1 51 GLU H 1 51 GLU QG 3.030 . 4.270 3.330 2.405 4.144 . 0 0 "[ . 1 . 2]" 1
731 1 51 GLU H 1 51 GLU HG3 3.270 . 4.740 4.188 3.788 4.650 . 0 0 "[ . 1 . 2]" 1
732 1 51 GLU H 1 52 ALA H 2.460 . 3.120 2.331 2.047 2.604 . 0 0 "[ . 1 . 2]" 1
733 1 51 GLU H 1 52 ALA MB 3.580 . 5.360 3.945 3.631 4.202 . 0 0 "[ . 1 . 2]" 1
734 1 52 ALA H 1 52 ALA MB 2.620 . 3.450 2.251 2.232 2.300 . 0 0 "[ . 1 . 2]" 1
735 1 52 ALA HA 1 53 THR H 2.190 . 2.580 2.172 2.123 2.387 . 0 0 "[ . 1 . 2]" 1
736 1 52 ALA MB 1 53 THR H 2.890 . 3.990 3.101 2.322 3.496 . 0 0 "[ . 1 . 2]" 1
737 1 53 THR H 1 53 THR HB 2.730 . 3.660 2.975 2.658 3.718 0.058 7 0 "[ . 1 . 2]" 1
738 1 53 THR H 1 53 THR MG 3.310 . 4.820 3.295 1.926 3.926 . 0 0 "[ . 1 . 2]" 1
739 1 53 THR HA 1 53 THR HB 2.400 . 3.010 2.801 2.389 3.021 0.011 5 0 "[ . 1 . 2]" 1
740 1 53 THR HA 1 54 GLU H 2.210 . 2.620 2.301 2.224 2.375 . 0 0 "[ . 1 . 2]" 1
741 1 53 THR HB 1 54 GLU H 2.710 . 3.620 3.539 2.783 3.758 0.138 15 0 "[ . 1 . 2]" 1
742 1 53 THR MG 1 54 GLU H 3.130 . 4.460 2.744 2.075 3.736 . 0 0 "[ . 1 . 2]" 1
743 1 54 GLU H 1 54 GLU QB 2.790 . 3.780 2.455 2.257 2.712 . 0 0 "[ . 1 . 2]" 1
744 1 54 GLU H 1 54 GLU HG2 3.250 . 4.700 3.531 1.831 4.510 . 0 0 "[ . 1 . 2]" 1
745 1 54 GLU H 1 54 GLU QG 3.160 . 4.530 2.758 1.819 3.995 . 0 0 "[ . 1 . 2]" 1
746 1 54 GLU H 1 54 GLU HG3 3.250 . 4.700 3.089 2.119 4.575 . 0 0 "[ . 1 . 2]" 1
747 1 54 GLU HA 1 55 TRP H 2.150 . 2.510 2.173 2.131 2.238 . 0 0 "[ . 1 . 2]" 1
748 1 54 GLU QG 1 55 TRP H 3.350 . 4.900 3.816 2.691 4.308 . 0 0 "[ . 1 . 2]" 1
749 1 54 GLU HG2 1 55 TRP H 3.610 . 5.420 4.310 2.953 5.260 . 0 0 "[ . 1 . 2]" 1
750 1 54 GLU HG3 1 55 TRP H 3.610 . 5.420 4.406 3.027 5.246 . 0 0 "[ . 1 . 2]" 1
751 1 55 TRP H 1 55 TRP HB2 2.570 . 3.340 2.939 2.451 3.204 . 0 0 "[ . 1 . 2]" 1
752 1 55 TRP H 1 55 TRP QB 2.470 . 3.140 2.501 2.275 2.683 . 0 0 "[ . 1 . 2]" 1
753 1 55 TRP H 1 55 TRP HB3 2.570 . 3.340 2.723 2.482 2.984 . 0 0 "[ . 1 . 2]" 1
754 1 55 TRP H 1 56 THR H 3.340 . 4.880 4.381 4.168 4.545 . 0 0 "[ . 1 . 2]" 1
755 1 55 TRP HA 1 55 TRP HD1 3.300 . 4.810 4.429 4.199 4.659 . 0 0 "[ . 1 . 2]" 1
756 1 55 TRP HA 1 56 THR H 2.190 . 2.580 2.257 2.111 2.704 0.124 2 0 "[ . 1 . 2]" 1
757 1 55 TRP HB2 1 56 THR H 3.320 . 4.850 4.097 3.586 4.400 . 0 0 "[ . 1 . 2]" 1
758 1 55 TRP HB3 1 56 THR H 3.320 . 4.850 3.818 2.695 4.294 . 0 0 "[ . 1 . 2]" 1
759 1 55 TRP HD1 1 56 THR H 3.200 . 4.600 4.005 3.029 4.633 0.033 7 0 "[ . 1 . 2]" 1
760 1 56 THR H 1 56 THR HB 2.660 . 3.520 3.285 2.511 3.645 0.125 20 0 "[ . 1 . 2]" 1
761 1 56 THR H 1 56 THR MG 3.160 . 4.530 3.511 2.268 4.093 . 0 0 "[ . 1 . 2]" 1
762 1 56 THR H 1 57 PRO QD 4.200 . 6.600 3.519 2.371 4.405 . 0 0 "[ . 1 . 2]" 1
763 1 56 THR HA 1 56 THR HB 2.370 . 2.940 2.867 2.412 3.024 0.084 11 0 "[ . 1 . 2]" 1
764 1 56 THR HA 1 57 PRO HD2 2.490 . 3.190 2.506 1.831 3.104 . 0 0 "[ . 1 . 2]" 1
765 1 56 THR HA 1 57 PRO QD 2.340 . 2.880 1.955 1.788 2.114 0.012 8 0 "[ . 1 . 2]" 1
766 1 56 THR HA 1 57 PRO HD3 2.490 . 3.190 2.125 1.814 2.596 . 0 0 "[ . 1 . 2]" 1
767 1 56 THR HB 1 57 PRO QD 3.600 . 5.410 3.842 1.948 4.421 . 0 0 "[ . 1 . 2]" 1
768 1 56 THR MG 1 57 PRO QD 3.610 . 5.420 3.019 2.086 4.097 . 0 0 "[ . 1 . 2]" 1
769 1 57 PRO HA 1 58 ASN H 2.330 . 2.870 2.329 2.128 2.762 . 0 0 "[ . 1 . 2]" 1
770 1 57 PRO QB 1 58 ASN H 2.870 . 3.940 3.096 1.816 3.931 . 0 0 "[ . 1 . 2]" 1
771 1 57 PRO HB2 1 58 ASN H 3.110 . 4.420 3.444 1.825 4.325 . 0 0 "[ . 1 . 2]" 1
772 1 57 PRO HB3 1 58 ASN H 3.110 . 4.420 3.604 2.758 4.586 0.166 11 0 "[ . 1 . 2]" 1
773 1 58 ASN H 1 58 ASN HB2 2.640 . 3.480 2.693 2.316 3.596 0.116 17 0 "[ . 1 . 2]" 1
774 1 58 ASN H 1 58 ASN QB 2.550 . 3.310 2.392 2.238 2.988 . 0 0 "[ . 1 . 2]" 1
775 1 58 ASN H 1 58 ASN HB3 2.640 . 3.480 2.797 2.479 3.783 0.303 11 0 "[ . 1 . 2]" 1
776 1 58 ASN HA 1 59 ASN H 2.460 . 3.120 2.410 2.075 3.424 0.304 7 0 "[ . 1 . 2]" 1
777 1 58 ASN QB 1 59 ASN H 2.920 . 4.040 3.477 2.470 4.015 . 0 0 "[ . 1 . 2]" 1
778 1 58 ASN HB2 1 59 ASN H 3.120 . 4.450 4.155 3.325 4.610 0.160 2 0 "[ . 1 . 2]" 1
779 1 58 ASN HB3 1 59 ASN H 3.120 . 4.450 3.807 2.519 4.484 0.034 8 0 "[ . 1 . 2]" 1
780 1 59 ASN H 1 59 ASN HB2 3.000 . 4.200 2.989 2.261 4.028 . 0 0 "[ . 1 . 2]" 1
781 1 59 ASN H 1 59 ASN HB3 3.000 . 4.200 3.010 2.389 3.756 . 0 0 "[ . 1 . 2]" 1
782 1 59 ASN H 1 59 ASN HD21 3.900 . 6.000 4.091 2.266 4.915 . 0 0 "[ . 1 . 2]" 1
783 1 59 ASN H 1 59 ASN QD 3.830 . 5.870 3.866 2.225 4.698 . 0 0 "[ . 1 . 2]" 1
784 1 59 ASN H 1 59 ASN HD22 3.900 . 6.000 4.974 3.237 6.015 0.015 15 0 "[ . 1 . 2]" 1
785 1 59 ASN H 1 60 LEU H 3.650 . 5.500 4.132 2.497 4.625 . 0 0 "[ . 1 . 2]" 1
786 1 59 ASN HA 1 60 LEU H 2.400 . 3.010 2.335 2.102 3.282 0.272 3 0 "[ . 1 . 2]" 1
787 1 59 ASN HB2 1 60 LEU H 2.980 . 4.160 3.918 2.141 4.602 0.442 10 0 "[ . 1 . 2]" 1
788 1 59 ASN HB3 1 60 LEU H 2.980 . 4.160 3.895 2.334 4.528 0.368 18 0 "[ . 1 . 2]" 1
789 1 60 LEU H 1 60 LEU HB2 2.890 . 3.980 2.732 2.412 3.725 . 0 0 "[ . 1 . 2]" 1
790 1 60 LEU H 1 60 LEU QB 2.740 . 3.690 2.517 2.316 2.967 . 0 0 "[ . 1 . 2]" 1
791 1 60 LEU H 1 60 LEU HB3 2.890 . 3.980 3.435 2.531 3.713 . 0 0 "[ . 1 . 2]" 1
792 1 60 LEU H 1 60 LEU MD1 4.410 . 7.020 3.703 2.484 4.165 . 0 0 "[ . 1 . 2]" 1
793 1 60 LEU H 1 60 LEU QD 4.100 . 6.400 3.056 1.764 3.840 0.036 7 0 "[ . 1 . 2]" 1
794 1 60 LEU H 1 60 LEU MD2 4.410 . 7.020 3.541 1.766 4.992 0.034 7 0 "[ . 1 . 2]" 1
795 1 60 LEU H 1 60 LEU HG 3.230 . 4.670 3.205 1.758 4.802 0.132 13 0 "[ . 1 . 2]" 1
796 1 60 LEU H 1 61 GLU H 3.390 . 4.990 4.045 2.653 4.591 . 0 0 "[ . 1 . 2]" 1
797 1 60 LEU HA 1 60 LEU MD1 3.440 . 5.080 3.351 1.902 4.096 . 0 0 "[ . 1 . 2]" 1
798 1 60 LEU HA 1 60 LEU QD 3.100 . 4.400 2.236 1.882 3.405 . 0 0 "[ . 1 . 2]" 1
799 1 60 LEU HA 1 60 LEU MD2 3.440 . 5.080 2.770 1.955 4.058 . 0 0 "[ . 1 . 2]" 1
800 1 60 LEU HA 1 61 GLU H 2.390 . 2.980 2.373 2.096 3.127 0.147 5 0 "[ . 1 . 2]" 1
801 1 60 LEU HB2 1 61 GLU H 3.250 . 4.700 4.020 2.350 4.625 . 0 0 "[ . 1 . 2]" 1
802 1 60 LEU HB3 1 61 GLU H 3.250 . 4.700 3.588 2.002 4.429 . 0 0 "[ . 1 . 2]" 1
803 1 60 LEU QD 1 61 GLU H 4.140 . 6.490 3.538 2.865 4.331 . 0 0 "[ . 1 . 2]" 1
804 1 60 LEU MD1 1 61 GLU H 4.410 . 7.020 4.440 2.887 5.628 . 0 0 "[ . 1 . 2]" 1
805 1 60 LEU MD2 1 61 GLU H 4.410 . 7.020 4.149 3.148 5.526 . 0 0 "[ . 1 . 2]" 1
806 1 60 LEU HG 1 61 GLU H 3.900 . 6.000 4.644 3.119 5.289 . 0 0 "[ . 1 . 2]" 1
807 1 61 GLU H 1 61 GLU HG2 3.900 . 6.000 3.614 1.862 4.693 . 0 0 "[ . 1 . 2]" 1
808 1 61 GLU H 1 61 GLU QG 3.770 . 5.740 3.019 1.845 4.178 . 0 0 "[ . 1 . 2]" 1
809 1 61 GLU H 1 61 GLU HG3 3.900 . 6.000 3.566 1.945 4.823 . 0 0 "[ . 1 . 2]" 1
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