NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
283096 |
2kru   |
16649 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kru
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 984
_Distance_constraint_stats_list.Viol_count 390
_Distance_constraint_stats_list.Viol_total 462.251
_Distance_constraint_stats_list.Viol_max 0.224
_Distance_constraint_stats_list.Viol_rms 0.0108
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0593
_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 3 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 LEU 1.037 0.105 13 0 "[ . 1 . 2]"
1 5 SER 0.529 0.105 13 0 "[ . 1 . 2]"
1 6 TRP 1.388 0.100 15 0 "[ . 1 . 2]"
1 7 THR 0.067 0.023 12 0 "[ . 1 . 2]"
1 8 ALA 0.006 0.006 13 0 "[ . 1 . 2]"
1 9 GLU 1.196 0.120 14 0 "[ . 1 . 2]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLU 0.047 0.034 3 0 "[ . 1 . 2]"
1 12 LYS 0.356 0.078 7 0 "[ . 1 . 2]"
1 13 MET 0.461 0.099 6 0 "[ . 1 . 2]"
1 14 LEU 0.174 0.066 6 0 "[ . 1 . 2]"
1 15 GLY 0.545 0.181 20 0 "[ . 1 . 2]"
1 16 LYS 2.619 0.181 20 0 "[ . 1 . 2]"
1 17 VAL 1.897 0.135 19 0 "[ . 1 . 2]"
1 18 PRO 1.758 0.202 5 0 "[ . 1 . 2]"
1 19 PHE 1.662 0.202 5 0 "[ . 1 . 2]"
1 20 PHE 1.251 0.132 1 0 "[ . 1 . 2]"
1 21 VAL 1.913 0.110 15 0 "[ . 1 . 2]"
1 22 ARG 1.578 0.169 6 0 "[ . 1 . 2]"
1 23 LYS 0.416 0.169 6 0 "[ . 1 . 2]"
1 24 LYS 0.635 0.123 2 0 "[ . 1 . 2]"
1 25 VAL 0.078 0.078 8 0 "[ . 1 . 2]"
1 26 ARG 0.283 0.067 11 0 "[ . 1 . 2]"
1 27 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ASN 2.279 0.224 15 0 "[ . 1 . 2]"
1 29 THR 6.994 0.224 15 0 "[ . 1 . 2]"
1 30 ASP 0.148 0.045 13 0 "[ . 1 . 2]"
1 31 ASN 0.239 0.126 3 0 "[ . 1 . 2]"
1 32 TYR 4.271 0.213 19 0 "[ . 1 . 2]"
1 33 ALA 0.051 0.035 10 0 "[ . 1 . 2]"
1 34 ARG 2.425 0.196 15 0 "[ . 1 . 2]"
1 35 GLU 2.204 0.196 15 0 "[ . 1 . 2]"
1 36 ILE 0.250 0.093 5 0 "[ . 1 . 2]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLU 0.380 0.085 8 0 "[ . 1 . 2]"
1 39 PRO 0.021 0.021 10 0 "[ . 1 . 2]"
1 40 VAL 0.019 0.012 17 0 "[ . 1 . 2]"
1 41 VAL 1.071 0.111 1 0 "[ . 1 . 2]"
1 42 THR 0.007 0.007 7 0 "[ . 1 . 2]"
1 43 ALA 1.441 0.120 14 0 "[ . 1 . 2]"
1 44 ASP 0.192 0.118 17 0 "[ . 1 . 2]"
1 45 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 PHE 0.117 0.067 1 0 "[ . 1 . 2]"
1 47 ARG 0.273 0.118 17 0 "[ . 1 . 2]"
1 48 LYS 0.459 0.093 5 0 "[ . 1 . 2]"
1 49 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 LYS 0.440 0.160 19 0 "[ . 1 . 2]"
1 51 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 HIS 0.029 0.029 11 0 "[ . 1 . 2]"
1 53 LEU 1.040 0.179 19 0 "[ . 1 . 2]"
1 54 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLY 0.208 0.083 8 0 "[ . 1 . 2]"
1 56 LEU 0.122 0.035 11 0 "[ . 1 . 2]"
1 57 GLU 0.130 0.038 8 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 3 GLU HA 1 4 LEU HB2 5.500 . 5.500 4.645 4.200 4.884 . 0 0 "[ . 1 . 2]" 1
2 1 3 GLU HA 1 4 LEU HG 5.500 . 5.500 3.884 3.573 4.837 . 0 0 "[ . 1 . 2]" 1
3 1 3 GLU QG 1 4 LEU H 5.500 . 5.500 3.712 2.502 4.502 . 0 0 "[ . 1 . 2]" 1
4 1 4 LEU H 1 4 LEU MD1 5.500 . 5.500 3.822 3.602 4.410 . 0 0 "[ . 1 . 2]" 1
5 1 4 LEU H 1 4 LEU MD2 5.500 . 5.500 3.471 2.891 4.225 . 0 0 "[ . 1 . 2]" 1
6 1 4 LEU H 1 4 LEU HG 4.810 . 4.810 2.615 2.165 3.645 . 0 0 "[ . 1 . 2]" 1
7 1 4 LEU HA 1 4 LEU MD2 4.020 . 4.020 1.990 1.900 2.064 . 0 0 "[ . 1 . 2]" 1
8 1 4 LEU HA 1 5 SER H 3.450 . 3.450 2.564 2.146 3.444 . 0 0 "[ . 1 . 2]" 1
9 1 4 LEU HA 1 5 SER QB 5.500 . 5.500 4.483 4.000 5.033 . 0 0 "[ . 1 . 2]" 1
10 1 4 LEU HB2 1 5 SER H 5.020 . 5.020 3.319 1.878 3.941 . 0 0 "[ . 1 . 2]" 1
11 1 4 LEU HB2 1 5 SER QB 5.500 . 5.500 5.238 4.315 5.605 0.105 13 0 "[ . 1 . 2]" 1
12 1 4 LEU HB2 1 6 TRP HD1 4.790 . 4.790 3.471 2.606 4.050 . 0 0 "[ . 1 . 2]" 1
13 1 4 LEU HB2 1 6 TRP HE1 5.170 . 5.170 3.363 2.333 3.999 . 0 0 "[ . 1 . 2]" 1
14 1 4 LEU HB2 1 30 ASP HA 5.500 . 5.500 3.710 2.898 4.727 . 0 0 "[ . 1 . 2]" 1
15 1 4 LEU HB2 1 39 PRO HA 5.500 . 5.500 5.226 4.656 5.521 0.021 10 0 "[ . 1 . 2]" 1
16 1 4 LEU HB2 1 41 VAL MG2 4.540 . 4.540 2.727 2.042 3.906 . 0 0 "[ . 1 . 2]" 1
17 1 4 LEU HB3 1 5 SER H 4.340 . 4.340 2.203 1.690 2.972 . 0 0 "[ . 1 . 2]" 1
18 1 4 LEU HB3 1 6 TRP HD1 5.500 . 5.500 4.399 3.554 5.297 . 0 0 "[ . 1 . 2]" 1
19 1 4 LEU HB3 1 6 TRP HE1 5.500 . 5.500 4.811 3.915 5.565 0.065 17 0 "[ . 1 . 2]" 1
20 1 4 LEU HB3 1 41 VAL H 5.390 . 5.390 3.852 3.493 4.195 . 0 0 "[ . 1 . 2]" 1
21 1 4 LEU HB3 1 41 VAL MG2 4.540 . 4.540 2.730 2.114 3.173 . 0 0 "[ . 1 . 2]" 1
22 1 4 LEU MD1 1 29 THR HB 5.500 . 5.500 4.954 3.660 5.554 0.054 2 0 "[ . 1 . 2]" 1
23 1 4 LEU MD1 1 30 ASP H 5.500 . 5.500 4.547 3.602 5.016 . 0 0 "[ . 1 . 2]" 1
24 1 4 LEU MD1 1 30 ASP HA 3.950 . 3.950 2.170 1.646 2.621 . 0 0 "[ . 1 . 2]" 1
25 1 4 LEU MD1 1 30 ASP QB 4.930 . 4.930 3.514 2.529 4.029 . 0 0 "[ . 1 . 2]" 1
26 1 4 LEU MD1 1 33 ALA H 5.500 . 5.500 3.598 3.271 4.331 . 0 0 "[ . 1 . 2]" 1
27 1 4 LEU MD1 1 33 ALA MB 3.780 . 3.780 1.865 1.652 2.611 . 0 0 "[ . 1 . 2]" 1
28 1 4 LEU MD1 1 34 ARG H 4.770 . 4.770 2.889 2.126 3.454 . 0 0 "[ . 1 . 2]" 1
29 1 4 LEU MD1 1 34 ARG HA 5.500 . 5.500 3.638 2.787 4.653 . 0 0 "[ . 1 . 2]" 1
30 1 4 LEU MD1 1 34 ARG QB 4.570 . 4.570 3.490 2.183 4.435 . 0 0 "[ . 1 . 2]" 1
31 1 4 LEU MD1 1 34 ARG QD 5.340 . 5.340 3.520 2.267 4.600 . 0 0 "[ . 1 . 2]" 1
32 1 4 LEU MD1 1 34 ARG QG 4.890 . 4.890 2.763 1.662 4.916 0.026 13 0 "[ . 1 . 2]" 1
33 1 4 LEU MD1 1 39 PRO HA 5.500 . 5.500 3.264 2.465 4.267 . 0 0 "[ . 1 . 2]" 1
34 1 4 LEU MD1 1 41 VAL H 5.500 . 5.500 4.577 4.065 4.900 . 0 0 "[ . 1 . 2]" 1
35 1 4 LEU MD1 1 41 VAL MG2 3.920 . 3.920 2.534 2.156 2.807 . 0 0 "[ . 1 . 2]" 1
36 1 4 LEU MD2 1 5 SER H 5.060 . 5.060 3.402 3.073 4.099 . 0 0 "[ . 1 . 2]" 1
37 1 4 LEU MD2 1 33 ALA MB 4.840 . 4.840 3.607 2.676 4.038 . 0 0 "[ . 1 . 2]" 1
38 1 4 LEU MD2 1 34 ARG H 5.500 . 5.500 4.462 3.783 5.199 . 0 0 "[ . 1 . 2]" 1
39 1 4 LEU MD2 1 34 ARG QB 5.340 . 5.340 4.052 2.192 4.999 . 0 0 "[ . 1 . 2]" 1
40 1 4 LEU MD2 1 34 ARG HD2 5.500 . 5.500 3.800 2.078 5.086 . 0 0 "[ . 1 . 2]" 1
41 1 4 LEU MD2 1 34 ARG HD3 5.500 . 5.500 4.383 2.021 5.536 0.036 16 0 "[ . 1 . 2]" 1
42 1 4 LEU MD2 1 34 ARG QG 5.500 . 5.500 2.889 1.901 3.970 . 0 0 "[ . 1 . 2]" 1
43 1 4 LEU MD2 1 39 PRO HA 4.260 . 4.260 2.137 1.621 2.824 . 0 0 "[ . 1 . 2]" 1
44 1 4 LEU MD2 1 39 PRO QB 4.760 . 4.760 3.302 2.701 4.083 . 0 0 "[ . 1 . 2]" 1
45 1 4 LEU MD2 1 39 PRO QG 5.350 . 5.350 4.636 3.876 5.203 . 0 0 "[ . 1 . 2]" 1
46 1 4 LEU MD2 1 41 VAL MG2 4.100 . 4.100 4.003 3.317 4.171 0.071 17 0 "[ . 1 . 2]" 1
47 1 5 SER H 1 5 SER QB 3.720 . 3.720 2.482 2.310 2.900 . 0 0 "[ . 1 . 2]" 1
48 1 5 SER H 1 40 VAL MG2 5.500 . 5.500 4.027 3.518 5.410 . 0 0 "[ . 1 . 2]" 1
49 1 5 SER HA 1 6 TRP H 3.250 . 3.250 2.159 2.135 2.196 . 0 0 "[ . 1 . 2]" 1
50 1 5 SER HA 1 6 TRP HD1 3.970 . 3.970 3.835 3.378 4.036 0.066 9 0 "[ . 1 . 2]" 1
51 1 5 SER QB 1 6 TRP H 3.990 . 3.990 3.634 3.167 3.994 0.004 3 0 "[ . 1 . 2]" 1
52 1 5 SER QB 1 40 VAL HA 5.380 . 5.380 2.309 1.857 2.762 . 0 0 "[ . 1 . 2]" 1
53 1 5 SER QB 1 40 VAL HB 5.500 . 5.500 4.441 4.036 5.225 . 0 0 "[ . 1 . 2]" 1
54 1 5 SER QB 1 40 VAL MG1 4.350 . 4.350 2.607 2.232 3.367 . 0 0 "[ . 1 . 2]" 1
55 1 5 SER QB 1 40 VAL MG2 4.150 . 4.150 2.275 1.804 3.070 . 0 0 "[ . 1 . 2]" 1
56 1 6 TRP H 1 6 TRP QB 3.630 . 3.630 2.290 2.243 2.385 . 0 0 "[ . 1 . 2]" 1
57 1 6 TRP H 1 6 TRP HD1 3.790 . 3.790 2.756 2.400 3.274 . 0 0 "[ . 1 . 2]" 1
58 1 6 TRP H 1 7 THR H 4.960 . 4.960 4.497 4.417 4.574 . 0 0 "[ . 1 . 2]" 1
59 1 6 TRP HA 1 6 TRP HD1 4.310 . 4.310 3.534 3.230 3.747 . 0 0 "[ . 1 . 2]" 1
60 1 6 TRP HA 1 6 TRP HE3 4.880 . 4.880 3.903 3.663 4.341 . 0 0 "[ . 1 . 2]" 1
61 1 6 TRP HA 1 7 THR H 3.330 . 3.330 2.167 2.100 2.232 . 0 0 "[ . 1 . 2]" 1
62 1 6 TRP HA 1 7 THR HA 5.500 . 5.500 4.359 4.324 4.387 . 0 0 "[ . 1 . 2]" 1
63 1 6 TRP HA 1 7 THR MG 5.500 . 5.500 3.731 3.601 3.849 . 0 0 "[ . 1 . 2]" 1
64 1 6 TRP HA 1 10 ALA MB 5.270 . 5.270 3.455 3.039 3.944 . 0 0 "[ . 1 . 2]" 1
65 1 6 TRP HA 1 40 VAL HA 5.450 . 5.450 4.717 4.400 5.124 . 0 0 "[ . 1 . 2]" 1
66 1 6 TRP HA 1 40 VAL MG1 4.680 . 4.680 4.131 3.835 4.496 . 0 0 "[ . 1 . 2]" 1
67 1 6 TRP HA 1 41 VAL H 4.080 . 4.080 3.045 2.816 3.371 . 0 0 "[ . 1 . 2]" 1
68 1 6 TRP HA 1 41 VAL HB 3.800 . 3.800 2.306 1.967 2.765 . 0 0 "[ . 1 . 2]" 1
69 1 6 TRP HA 1 41 VAL MG1 4.940 . 4.940 3.715 3.394 4.058 . 0 0 "[ . 1 . 2]" 1
70 1 6 TRP HA 1 41 VAL MG2 4.780 . 4.780 3.629 3.398 4.001 . 0 0 "[ . 1 . 2]" 1
71 1 6 TRP QB 1 6 TRP HE3 3.520 . 3.520 2.380 2.353 2.424 . 0 0 "[ . 1 . 2]" 1
72 1 6 TRP QB 1 6 TRP HZ3 5.500 . 5.500 4.652 4.618 4.690 . 0 0 "[ . 1 . 2]" 1
73 1 6 TRP QB 1 7 THR H 4.070 . 4.070 3.142 2.945 3.331 . 0 0 "[ . 1 . 2]" 1
74 1 6 TRP QB 1 10 ALA MB 4.160 . 4.160 3.022 2.401 3.833 . 0 0 "[ . 1 . 2]" 1
75 1 6 TRP QB 1 11 GLU H 4.940 . 4.940 3.903 3.535 4.416 . 0 0 "[ . 1 . 2]" 1
76 1 6 TRP QB 1 11 GLU QB 5.340 . 5.340 4.316 3.750 4.836 . 0 0 "[ . 1 . 2]" 1
77 1 6 TRP QB 1 11 GLU HG2 4.630 . 4.630 2.635 2.029 3.271 . 0 0 "[ . 1 . 2]" 1
78 1 6 TRP QB 1 11 GLU QG 4.030 . 4.030 2.458 2.004 3.046 . 0 0 "[ . 1 . 2]" 1
79 1 6 TRP QB 1 11 GLU HG3 4.630 . 4.630 3.323 2.191 4.394 . 0 0 "[ . 1 . 2]" 1
80 1 6 TRP QB 1 41 VAL HB 5.500 . 5.500 3.845 3.588 4.146 . 0 0 "[ . 1 . 2]" 1
81 1 6 TRP QB 1 41 VAL MG1 5.500 . 5.500 4.318 3.934 4.623 . 0 0 "[ . 1 . 2]" 1
82 1 6 TRP HD1 1 41 VAL HB 4.380 . 4.380 4.014 3.539 4.389 0.009 14 0 "[ . 1 . 2]" 1
83 1 6 TRP HD1 1 41 VAL MG2 4.170 . 4.170 3.623 3.156 4.177 0.007 10 0 "[ . 1 . 2]" 1
84 1 6 TRP HE1 1 26 ARG HA 5.500 . 5.500 4.798 3.882 5.567 0.067 11 0 "[ . 1 . 2]" 1
85 1 6 TRP HE1 1 26 ARG HG2 5.500 . 5.500 3.525 3.031 4.028 . 0 0 "[ . 1 . 2]" 1
86 1 6 TRP HE1 1 26 ARG HG3 5.500 . 5.500 3.975 3.007 5.489 . 0 0 "[ . 1 . 2]" 1
87 1 6 TRP HE1 1 29 THR HG1 5.200 . 5.200 4.814 3.999 5.300 0.100 15 0 "[ . 1 . 2]" 1
88 1 6 TRP HE1 1 30 ASP H 5.500 . 5.500 4.399 3.702 5.507 0.007 10 0 "[ . 1 . 2]" 1
89 1 6 TRP HE1 1 30 ASP HA 5.500 . 5.500 3.804 3.070 5.143 . 0 0 "[ . 1 . 2]" 1
90 1 6 TRP HE1 1 41 VAL HB 5.040 . 5.040 4.317 3.672 4.623 . 0 0 "[ . 1 . 2]" 1
91 1 6 TRP HE1 1 41 VAL MG2 4.040 . 4.040 2.962 2.650 3.379 . 0 0 "[ . 1 . 2]" 1
92 1 6 TRP HE3 1 10 ALA MB 3.610 . 3.610 2.094 1.804 2.436 . 0 0 "[ . 1 . 2]" 1
93 1 6 TRP HE3 1 11 GLU H 4.380 . 4.380 3.456 3.118 3.778 . 0 0 "[ . 1 . 2]" 1
94 1 6 TRP HE3 1 11 GLU HA 4.090 . 4.090 3.453 2.927 3.928 . 0 0 "[ . 1 . 2]" 1
95 1 6 TRP HE3 1 11 GLU HG2 5.500 . 5.500 3.092 2.204 4.141 . 0 0 "[ . 1 . 2]" 1
96 1 6 TRP HE3 1 11 GLU HG3 5.500 . 5.500 4.357 2.257 5.506 0.006 10 0 "[ . 1 . 2]" 1
97 1 6 TRP HE3 1 14 LEU HB2 5.500 . 5.500 4.142 3.384 5.119 . 0 0 "[ . 1 . 2]" 1
98 1 6 TRP HE3 1 14 LEU HB3 5.500 . 5.500 4.486 4.149 5.087 . 0 0 "[ . 1 . 2]" 1
99 1 6 TRP HE3 1 14 LEU MD2 5.500 . 5.500 3.473 3.012 4.191 . 0 0 "[ . 1 . 2]" 1
100 1 6 TRP HE3 1 41 VAL MG1 4.900 . 4.900 3.596 3.383 4.015 . 0 0 "[ . 1 . 2]" 1
101 1 6 TRP HE3 1 41 VAL MG2 5.500 . 5.500 5.004 4.791 5.341 . 0 0 "[ . 1 . 2]" 1
102 1 6 TRP HH2 1 14 LEU QB 4.650 . 4.650 3.956 3.210 4.636 . 0 0 "[ . 1 . 2]" 1
103 1 6 TRP HH2 1 14 LEU MD1 4.430 . 4.430 3.141 2.661 3.663 . 0 0 "[ . 1 . 2]" 1
104 1 6 TRP HH2 1 14 LEU MD2 4.740 . 4.740 3.045 2.490 3.612 . 0 0 "[ . 1 . 2]" 1
105 1 6 TRP HH2 1 26 ARG HA 4.330 . 4.330 2.772 2.444 3.261 . 0 0 "[ . 1 . 2]" 1
106 1 6 TRP HH2 1 26 ARG QG 5.340 . 5.340 3.512 2.803 4.321 . 0 0 "[ . 1 . 2]" 1
107 1 6 TRP HH2 1 29 THR HB 5.450 . 5.450 3.225 2.476 4.053 . 0 0 "[ . 1 . 2]" 1
108 1 6 TRP HH2 1 29 THR HG1 4.460 . 4.460 2.767 1.549 3.876 . 0 0 "[ . 1 . 2]" 1
109 1 6 TRP HH2 1 29 THR MG 4.130 . 4.130 2.877 2.373 3.313 . 0 0 "[ . 1 . 2]" 1
110 1 6 TRP HH2 1 41 VAL MG1 5.070 . 5.070 3.488 3.113 3.942 . 0 0 "[ . 1 . 2]" 1
111 1 6 TRP HH2 1 41 VAL MG2 5.500 . 5.500 4.799 4.234 5.311 . 0 0 "[ . 1 . 2]" 1
112 1 6 TRP HH2 1 46 PHE QD 5.260 . 5.260 2.772 2.315 3.320 . 0 0 "[ . 1 . 2]" 1
113 1 6 TRP HH2 1 46 PHE QE 4.350 . 4.350 2.671 1.988 3.638 . 0 0 "[ . 1 . 2]" 1
114 1 6 TRP HZ2 1 14 LEU MD1 5.500 . 5.500 4.856 4.253 5.531 0.031 5 0 "[ . 1 . 2]" 1
115 1 6 TRP HZ2 1 14 LEU MD2 5.390 . 5.390 4.126 3.512 4.635 . 0 0 "[ . 1 . 2]" 1
116 1 6 TRP HZ2 1 26 ARG HA 3.360 . 3.360 2.539 2.008 3.153 . 0 0 "[ . 1 . 2]" 1
117 1 6 TRP HZ2 1 26 ARG QB 4.640 . 4.640 4.076 3.483 4.346 . 0 0 "[ . 1 . 2]" 1
118 1 6 TRP HZ2 1 26 ARG HG2 4.190 . 4.190 3.165 2.277 4.050 . 0 0 "[ . 1 . 2]" 1
119 1 6 TRP HZ2 1 26 ARG QG 3.580 . 3.580 2.685 2.263 3.324 . 0 0 "[ . 1 . 2]" 1
120 1 6 TRP HZ2 1 26 ARG HG3 4.190 . 4.190 3.179 2.370 4.219 0.029 13 0 "[ . 1 . 2]" 1
121 1 6 TRP HZ2 1 29 THR H 4.900 . 4.900 3.916 3.349 4.681 . 0 0 "[ . 1 . 2]" 1
122 1 6 TRP HZ2 1 29 THR HB 4.740 . 4.740 2.451 1.625 3.521 . 0 0 "[ . 1 . 2]" 1
123 1 6 TRP HZ2 1 29 THR HG1 3.140 . 3.140 2.290 1.767 2.615 . 0 0 "[ . 1 . 2]" 1
124 1 6 TRP HZ2 1 29 THR MG 3.640 . 3.640 3.572 3.102 3.720 0.080 16 0 "[ . 1 . 2]" 1
125 1 6 TRP HZ2 1 30 ASP H 4.200 . 4.200 3.325 2.665 4.212 0.012 13 0 "[ . 1 . 2]" 1
126 1 6 TRP HZ2 1 41 VAL MG1 4.530 . 4.530 3.462 3.114 3.674 . 0 0 "[ . 1 . 2]" 1
127 1 6 TRP HZ2 1 41 VAL MG2 4.280 . 4.280 3.577 3.256 3.901 . 0 0 "[ . 1 . 2]" 1
128 1 6 TRP HZ3 1 10 ALA MB 4.970 . 4.970 2.603 2.283 3.004 . 0 0 "[ . 1 . 2]" 1
129 1 6 TRP HZ3 1 11 GLU HA 5.290 . 5.290 4.048 3.191 4.761 . 0 0 "[ . 1 . 2]" 1
130 1 6 TRP HZ3 1 14 LEU H 5.010 . 5.010 4.353 3.682 4.888 . 0 0 "[ . 1 . 2]" 1
131 1 6 TRP HZ3 1 14 LEU QB 3.900 . 3.900 2.508 1.975 3.029 . 0 0 "[ . 1 . 2]" 1
132 1 6 TRP HZ3 1 14 LEU MD1 4.740 . 4.740 3.336 2.663 4.054 . 0 0 "[ . 1 . 2]" 1
133 1 6 TRP HZ3 1 14 LEU MD2 5.500 . 5.500 2.628 2.259 3.017 . 0 0 "[ . 1 . 2]" 1
134 1 6 TRP HZ3 1 46 PHE QD 3.890 . 3.890 2.970 2.249 3.767 . 0 0 "[ . 1 . 2]" 1
135 1 6 TRP HZ3 1 46 PHE QE 5.290 . 5.290 3.267 2.732 4.203 . 0 0 "[ . 1 . 2]" 1
136 1 7 THR H 1 7 THR MG 3.630 . 3.630 2.519 2.370 2.694 . 0 0 "[ . 1 . 2]" 1
137 1 7 THR H 1 8 ALA H 5.500 . 5.500 4.559 4.504 4.604 . 0 0 "[ . 1 . 2]" 1
138 1 7 THR H 1 10 ALA H 5.160 . 5.160 3.719 3.419 4.039 . 0 0 "[ . 1 . 2]" 1
139 1 7 THR H 1 10 ALA MB 3.930 . 3.930 2.632 2.250 3.274 . 0 0 "[ . 1 . 2]" 1
140 1 7 THR H 1 40 VAL MG1 4.760 . 4.760 3.960 3.728 4.343 . 0 0 "[ . 1 . 2]" 1
141 1 7 THR H 1 41 VAL H 5.500 . 5.500 4.136 3.962 4.413 . 0 0 "[ . 1 . 2]" 1
142 1 7 THR H 1 41 VAL HB 5.070 . 5.070 3.589 3.243 4.053 . 0 0 "[ . 1 . 2]" 1
143 1 7 THR H 1 41 VAL MG1 5.500 . 5.500 4.059 3.820 4.443 . 0 0 "[ . 1 . 2]" 1
144 1 7 THR H 1 41 VAL MG2 5.500 . 5.500 4.966 4.705 5.302 . 0 0 "[ . 1 . 2]" 1
145 1 7 THR HA 1 7 THR MG 3.660 . 3.660 2.319 2.272 2.371 . 0 0 "[ . 1 . 2]" 1
146 1 7 THR HA 1 8 ALA H 3.440 . 3.440 2.446 2.322 2.569 . 0 0 "[ . 1 . 2]" 1
147 1 7 THR HA 1 8 ALA MB 4.870 . 4.870 4.168 4.100 4.243 . 0 0 "[ . 1 . 2]" 1
148 1 7 THR HA 1 9 GLU H 5.440 . 5.440 4.305 4.035 4.620 . 0 0 "[ . 1 . 2]" 1
149 1 7 THR HB 1 8 ALA H 3.680 . 3.680 2.310 2.063 2.587 . 0 0 "[ . 1 . 2]" 1
150 1 7 THR HB 1 8 ALA MB 4.950 . 4.950 3.833 3.681 4.049 . 0 0 "[ . 1 . 2]" 1
151 1 7 THR HB 1 9 GLU H 4.130 . 4.130 2.719 2.369 3.056 . 0 0 "[ . 1 . 2]" 1
152 1 7 THR HB 1 10 ALA H 4.980 . 4.980 3.770 3.318 4.272 . 0 0 "[ . 1 . 2]" 1
153 1 7 THR HG1 1 8 ALA H 5.500 . 5.500 4.341 3.588 4.827 . 0 0 "[ . 1 . 2]" 1
154 1 7 THR HG1 1 9 GLU H 4.450 . 4.450 3.666 2.778 4.460 0.010 16 0 "[ . 1 . 2]" 1
155 1 7 THR HG1 1 9 GLU HB2 5.500 . 5.500 3.393 2.272 5.382 . 0 0 "[ . 1 . 2]" 1
156 1 7 THR HG1 1 9 GLU QB 4.750 . 4.750 3.308 2.257 4.772 0.022 7 0 "[ . 1 . 2]" 1
157 1 7 THR HG1 1 9 GLU HB3 5.500 . 5.500 4.866 3.859 5.523 0.023 12 0 "[ . 1 . 2]" 1
158 1 7 THR HG1 1 10 ALA H 4.030 . 4.030 3.093 2.720 3.612 . 0 0 "[ . 1 . 2]" 1
159 1 7 THR HG1 1 10 ALA MB 4.760 . 4.760 3.167 2.297 3.964 . 0 0 "[ . 1 . 2]" 1
160 1 7 THR HG1 1 42 THR MG 5.220 . 5.220 2.982 2.219 3.698 . 0 0 "[ . 1 . 2]" 1
161 1 7 THR HG1 1 43 ALA H 4.210 . 4.210 3.462 2.717 4.147 . 0 0 "[ . 1 . 2]" 1
162 1 7 THR MG 1 8 ALA H 4.590 . 4.590 3.567 3.412 3.643 . 0 0 "[ . 1 . 2]" 1
163 1 7 THR MG 1 9 GLU H 5.090 . 5.090 4.275 4.052 4.502 . 0 0 "[ . 1 . 2]" 1
164 1 7 THR MG 1 10 ALA H 5.500 . 5.500 4.435 4.170 4.819 . 0 0 "[ . 1 . 2]" 1
165 1 7 THR MG 1 40 VAL MG1 3.610 . 3.610 2.227 2.025 2.589 . 0 0 "[ . 1 . 2]" 1
166 1 7 THR MG 1 42 THR HA 3.600 . 3.600 2.860 2.400 3.536 . 0 0 "[ . 1 . 2]" 1
167 1 8 ALA H 1 8 ALA MB 3.450 . 3.450 2.234 2.220 2.245 . 0 0 "[ . 1 . 2]" 1
168 1 8 ALA H 1 9 GLU H 4.200 . 4.200 2.648 2.556 2.770 . 0 0 "[ . 1 . 2]" 1
169 1 8 ALA H 1 9 GLU HA 5.500 . 5.500 5.253 5.163 5.363 . 0 0 "[ . 1 . 2]" 1
170 1 8 ALA H 1 10 ALA H 5.500 . 5.500 4.311 4.034 4.642 . 0 0 "[ . 1 . 2]" 1
171 1 8 ALA HA 1 11 GLU H 4.610 . 4.610 3.457 3.202 3.740 . 0 0 "[ . 1 . 2]" 1
172 1 8 ALA HA 1 11 GLU HB2 4.610 . 4.610 2.577 2.095 3.057 . 0 0 "[ . 1 . 2]" 1
173 1 8 ALA HA 1 11 GLU HB3 4.610 . 4.610 4.151 3.723 4.594 . 0 0 "[ . 1 . 2]" 1
174 1 8 ALA HA 1 11 GLU HG2 5.190 . 5.190 4.329 3.558 5.196 0.006 13 0 "[ . 1 . 2]" 1
175 1 8 ALA HA 1 11 GLU HG3 5.190 . 5.190 3.674 2.824 4.820 . 0 0 "[ . 1 . 2]" 1
176 1 8 ALA MB 1 9 GLU H 3.790 . 3.790 2.670 2.442 2.853 . 0 0 "[ . 1 . 2]" 1
177 1 8 ALA MB 1 9 GLU HA 4.820 . 4.820 3.880 3.743 3.987 . 0 0 "[ . 1 . 2]" 1
178 1 9 GLU H 1 9 GLU HB2 3.810 . 3.810 2.639 2.225 3.589 . 0 0 "[ . 1 . 2]" 1
179 1 9 GLU H 1 9 GLU QB 3.310 . 3.310 2.531 2.202 2.883 . 0 0 "[ . 1 . 2]" 1
180 1 9 GLU H 1 9 GLU HB3 3.810 . 3.810 3.537 2.679 3.617 . 0 0 "[ . 1 . 2]" 1
181 1 9 GLU H 1 9 GLU QG 4.420 . 4.420 2.433 1.831 3.494 . 0 0 "[ . 1 . 2]" 1
182 1 9 GLU H 1 10 ALA H 3.860 . 3.860 2.703 2.545 2.848 . 0 0 "[ . 1 . 2]" 1
183 1 9 GLU H 1 10 ALA MB 5.500 . 5.500 4.378 4.202 4.504 . 0 0 "[ . 1 . 2]" 1
184 1 9 GLU HA 1 12 LYS QE 5.500 . 5.500 4.007 1.594 5.559 0.059 10 0 "[ . 1 . 2]" 1
185 1 9 GLU HA 1 43 ALA H 5.500 . 5.500 5.506 5.096 5.620 0.120 14 0 "[ . 1 . 2]" 1
186 1 9 GLU QB 1 42 THR HA 5.000 . 5.000 3.793 3.089 4.872 . 0 0 "[ . 1 . 2]" 1
187 1 9 GLU QB 1 43 ALA H 5.310 . 5.310 2.648 2.275 3.375 . 0 0 "[ . 1 . 2]" 1
188 1 9 GLU QB 1 43 ALA MB 4.380 . 4.380 1.699 1.400 2.088 . 0 0 "[ . 1 . 2]" 1
189 1 9 GLU HB2 1 10 ALA H 4.260 . 4.260 2.569 2.200 3.725 . 0 0 "[ . 1 . 2]" 1
190 1 9 GLU HB3 1 10 ALA H 4.260 . 4.260 3.627 3.206 4.065 . 0 0 "[ . 1 . 2]" 1
191 1 9 GLU QG 1 10 ALA H 5.500 . 5.500 3.999 2.209 4.513 . 0 0 "[ . 1 . 2]" 1
192 1 9 GLU QG 1 43 ALA MB 4.650 . 4.650 3.045 2.439 3.758 . 0 0 "[ . 1 . 2]" 1
193 1 10 ALA H 1 10 ALA MB 3.340 . 3.340 2.236 2.222 2.254 . 0 0 "[ . 1 . 2]" 1
194 1 10 ALA H 1 11 GLU H 3.700 . 3.700 2.636 2.500 2.727 . 0 0 "[ . 1 . 2]" 1
195 1 10 ALA H 1 42 THR HA 5.240 . 5.240 3.888 3.574 4.180 . 0 0 "[ . 1 . 2]" 1
196 1 10 ALA H 1 43 ALA H 5.500 . 5.500 4.075 3.808 4.427 . 0 0 "[ . 1 . 2]" 1
197 1 10 ALA HA 1 13 MET H 4.790 . 4.790 3.541 3.261 3.676 . 0 0 "[ . 1 . 2]" 1
198 1 10 ALA HA 1 13 MET QB 4.020 . 4.020 3.072 2.478 3.423 . 0 0 "[ . 1 . 2]" 1
199 1 10 ALA HA 1 13 MET QG 4.920 . 4.920 3.902 2.746 4.228 . 0 0 "[ . 1 . 2]" 1
200 1 10 ALA HA 1 46 PHE HB3 5.320 . 5.320 3.692 3.134 4.357 . 0 0 "[ . 1 . 2]" 1
201 1 10 ALA HA 1 46 PHE QD 5.500 . 5.500 3.972 2.790 4.974 . 0 0 "[ . 1 . 2]" 1
202 1 10 ALA MB 1 11 GLU H 3.880 . 3.880 2.466 2.299 2.614 . 0 0 "[ . 1 . 2]" 1
203 1 10 ALA MB 1 14 LEU H 5.500 . 5.500 4.516 4.260 4.702 . 0 0 "[ . 1 . 2]" 1
204 1 10 ALA MB 1 41 VAL MG1 3.670 . 3.670 2.389 2.098 2.631 . 0 0 "[ . 1 . 2]" 1
205 1 10 ALA MB 1 42 THR HA 4.160 . 4.160 3.040 2.377 3.605 . 0 0 "[ . 1 . 2]" 1
206 1 10 ALA MB 1 46 PHE H 4.730 . 4.730 4.082 3.669 4.528 . 0 0 "[ . 1 . 2]" 1
207 1 10 ALA MB 1 46 PHE HB2 4.650 . 4.650 2.843 2.331 3.540 . 0 0 "[ . 1 . 2]" 1
208 1 10 ALA MB 1 46 PHE HB3 5.420 . 5.420 3.797 3.029 4.754 . 0 0 "[ . 1 . 2]" 1
209 1 10 ALA MB 1 46 PHE QD 5.190 . 5.190 3.458 2.501 4.297 . 0 0 "[ . 1 . 2]" 1
210 1 11 GLU H 1 11 GLU HB2 4.160 . 4.160 2.364 2.168 2.537 . 0 0 "[ . 1 . 2]" 1
211 1 11 GLU H 1 11 GLU QB 3.560 . 3.560 2.331 2.148 2.489 . 0 0 "[ . 1 . 2]" 1
212 1 11 GLU H 1 11 GLU HB3 4.160 . 4.160 3.564 3.481 3.609 . 0 0 "[ . 1 . 2]" 1
213 1 11 GLU H 1 11 GLU HG2 4.430 . 4.430 2.802 2.282 3.406 . 0 0 "[ . 1 . 2]" 1
214 1 11 GLU H 1 11 GLU HG3 4.430 . 4.430 3.307 2.179 3.967 . 0 0 "[ . 1 . 2]" 1
215 1 11 GLU H 1 12 LYS H 3.820 . 3.820 2.685 2.601 2.772 . 0 0 "[ . 1 . 2]" 1
216 1 11 GLU H 1 13 MET H 5.340 . 5.340 4.300 4.092 4.541 . 0 0 "[ . 1 . 2]" 1
217 1 11 GLU HA 1 14 LEU QB 5.280 . 5.280 2.297 1.777 2.890 . 0 0 "[ . 1 . 2]" 1
218 1 11 GLU HA 1 14 LEU MD1 5.500 . 5.500 4.899 4.329 5.534 0.034 3 0 "[ . 1 . 2]" 1
219 1 11 GLU HA 1 14 LEU MD2 5.210 . 5.210 3.200 2.814 3.715 . 0 0 "[ . 1 . 2]" 1
220 1 11 GLU QB 1 12 LYS H 3.980 . 3.980 2.758 2.540 2.868 . 0 0 "[ . 1 . 2]" 1
221 1 11 GLU QG 1 12 LYS H 5.340 . 5.340 4.267 4.034 4.524 . 0 0 "[ . 1 . 2]" 1
222 1 12 LYS H 1 12 LYS QB 3.300 . 3.300 2.301 2.199 2.480 . 0 0 "[ . 1 . 2]" 1
223 1 12 LYS H 1 12 LYS HG2 4.820 . 4.820 4.007 2.291 4.601 . 0 0 "[ . 1 . 2]" 1
224 1 12 LYS H 1 12 LYS QG 4.000 . 4.000 3.322 2.178 4.045 0.045 11 0 "[ . 1 . 2]" 1
225 1 12 LYS H 1 12 LYS HG3 4.820 . 4.820 3.759 2.202 4.552 . 0 0 "[ . 1 . 2]" 1
226 1 12 LYS H 1 13 MET H 3.720 . 3.720 2.662 2.516 2.787 . 0 0 "[ . 1 . 2]" 1
227 1 12 LYS H 1 13 MET QG 5.340 . 5.340 4.470 4.082 4.722 . 0 0 "[ . 1 . 2]" 1
228 1 12 LYS HA 1 12 LYS QD 4.860 . 4.860 3.594 1.863 4.261 . 0 0 "[ . 1 . 2]" 1
229 1 12 LYS HA 1 12 LYS QE 5.500 . 5.500 4.227 2.840 5.003 . 0 0 "[ . 1 . 2]" 1
230 1 12 LYS HA 1 12 LYS QG 3.740 . 3.740 2.520 2.369 2.944 . 0 0 "[ . 1 . 2]" 1
231 1 12 LYS HA 1 15 GLY H 5.350 . 5.350 3.525 3.216 3.797 . 0 0 "[ . 1 . 2]" 1
232 1 12 LYS HA 1 16 LYS H 5.500 . 5.500 5.202 4.678 5.578 0.078 7 0 "[ . 1 . 2]" 1
233 1 12 LYS QB 1 13 MET H 3.960 . 3.960 2.549 2.302 2.747 . 0 0 "[ . 1 . 2]" 1
234 1 12 LYS QB 1 13 MET QG 5.340 . 5.340 3.151 2.816 3.356 . 0 0 "[ . 1 . 2]" 1
235 1 12 LYS QG 1 13 MET H 5.070 . 5.070 3.890 3.502 4.320 . 0 0 "[ . 1 . 2]" 1
236 1 13 MET H 1 13 MET QB 3.330 . 3.330 2.383 2.334 2.470 . 0 0 "[ . 1 . 2]" 1
237 1 13 MET H 1 13 MET HG2 4.270 . 4.270 3.568 2.144 3.801 . 0 0 "[ . 1 . 2]" 1
238 1 13 MET H 1 13 MET QG 3.500 . 3.500 2.417 2.125 2.612 . 0 0 "[ . 1 . 2]" 1
239 1 13 MET H 1 13 MET HG3 4.270 . 4.270 2.523 2.197 3.499 . 0 0 "[ . 1 . 2]" 1
240 1 13 MET H 1 14 LEU H 3.810 . 3.810 2.460 2.356 2.657 . 0 0 "[ . 1 . 2]" 1
241 1 13 MET HA 1 13 MET QG 3.710 . 3.710 2.412 2.335 2.871 . 0 0 "[ . 1 . 2]" 1
242 1 13 MET HA 1 15 GLY H 5.500 . 5.500 3.935 3.610 4.203 . 0 0 "[ . 1 . 2]" 1
243 1 13 MET HA 1 16 LYS H 5.070 . 5.070 3.660 3.335 4.133 . 0 0 "[ . 1 . 2]" 1
244 1 13 MET HA 1 16 LYS QG 5.340 . 5.340 3.362 2.294 5.414 0.074 20 0 "[ . 1 . 2]" 1
245 1 13 MET QB 1 14 LEU H 4.000 . 4.000 2.722 2.413 2.875 . 0 0 "[ . 1 . 2]" 1
246 1 13 MET QB 1 46 PHE QD 4.680 . 4.680 2.899 2.078 3.691 . 0 0 "[ . 1 . 2]" 1
247 1 13 MET QB 1 46 PHE QE 5.340 . 5.340 2.731 2.065 3.593 . 0 0 "[ . 1 . 2]" 1
248 1 13 MET HB2 1 46 PHE QD 5.500 . 5.500 3.291 2.131 4.218 . 0 0 "[ . 1 . 2]" 1
249 1 13 MET HB3 1 46 PHE QD 5.500 . 5.500 3.343 2.648 4.151 . 0 0 "[ . 1 . 2]" 1
250 1 13 MET ME 1 14 LEU H 5.500 . 5.500 4.530 4.086 5.252 . 0 0 "[ . 1 . 2]" 1
251 1 13 MET ME 1 43 ALA H 5.460 . 5.460 4.645 3.852 5.559 0.099 6 0 "[ . 1 . 2]" 1
252 1 13 MET ME 1 43 ALA HA 4.110 . 4.110 2.469 1.633 3.466 . 0 0 "[ . 1 . 2]" 1
253 1 13 MET ME 1 43 ALA MB 3.530 . 3.530 2.527 2.031 3.257 . 0 0 "[ . 1 . 2]" 1
254 1 13 MET ME 1 46 PHE HB3 4.510 . 4.510 2.374 1.966 3.236 . 0 0 "[ . 1 . 2]" 1
255 1 13 MET ME 1 46 PHE QD 3.940 . 3.940 1.991 1.382 2.833 . 0 0 "[ . 1 . 2]" 1
256 1 13 MET ME 1 47 ARG H 4.930 . 4.930 3.378 2.620 3.936 . 0 0 "[ . 1 . 2]" 1
257 1 13 MET QG 1 46 PHE QD 5.340 . 5.340 4.327 3.647 5.046 . 0 0 "[ . 1 . 2]" 1
258 1 13 MET QG 1 46 PHE QE 5.340 . 5.340 4.654 4.124 5.313 . 0 0 "[ . 1 . 2]" 1
259 1 13 MET HG2 1 14 LEU H 5.500 . 5.500 5.022 4.181 5.151 . 0 0 "[ . 1 . 2]" 1
260 1 13 MET HG2 1 43 ALA MB 5.500 . 5.500 4.944 3.102 5.507 0.007 8 0 "[ . 1 . 2]" 1
261 1 13 MET HG3 1 14 LEU H 5.500 . 5.500 4.445 4.120 4.697 . 0 0 "[ . 1 . 2]" 1
262 1 13 MET HG3 1 43 ALA MB 5.500 . 5.500 4.088 2.672 4.680 . 0 0 "[ . 1 . 2]" 1
263 1 14 LEU H 1 14 LEU QB 3.460 . 3.460 2.241 2.217 2.276 . 0 0 "[ . 1 . 2]" 1
264 1 14 LEU H 1 14 LEU MD1 5.100 . 5.100 4.089 4.006 4.134 . 0 0 "[ . 1 . 2]" 1
265 1 14 LEU H 1 14 LEU MD2 5.230 . 5.230 4.252 4.220 4.295 . 0 0 "[ . 1 . 2]" 1
266 1 14 LEU H 1 14 LEU HG 5.190 . 5.190 4.481 4.458 4.526 . 0 0 "[ . 1 . 2]" 1
267 1 14 LEU H 1 15 GLY H 3.900 . 3.900 2.488 2.401 2.588 . 0 0 "[ . 1 . 2]" 1
268 1 14 LEU H 1 16 LYS H 5.220 . 5.220 4.120 3.929 4.360 . 0 0 "[ . 1 . 2]" 1
269 1 14 LEU H 1 46 PHE QE 5.500 . 5.500 4.291 3.181 5.379 . 0 0 "[ . 1 . 2]" 1
270 1 14 LEU HA 1 14 LEU MD1 3.580 . 3.580 2.054 2.001 2.116 . 0 0 "[ . 1 . 2]" 1
271 1 14 LEU HA 1 16 LYS H 5.030 . 5.030 3.694 3.487 3.962 . 0 0 "[ . 1 . 2]" 1
272 1 14 LEU HA 1 17 VAL H 5.110 . 5.110 3.481 3.167 3.797 . 0 0 "[ . 1 . 2]" 1
273 1 14 LEU HA 1 17 VAL HB 5.300 . 5.300 3.381 2.835 4.167 . 0 0 "[ . 1 . 2]" 1
274 1 14 LEU HA 1 17 VAL MG2 3.780 . 3.780 2.671 2.224 3.095 . 0 0 "[ . 1 . 2]" 1
275 1 14 LEU HA 1 46 PHE QE 4.640 . 4.640 3.501 2.770 4.025 . 0 0 "[ . 1 . 2]" 1
276 1 14 LEU HA 1 46 PHE HZ 4.120 . 4.120 2.961 2.400 3.877 . 0 0 "[ . 1 . 2]" 1
277 1 14 LEU QB 1 15 GLY H 3.880 . 3.880 2.920 2.785 3.147 . 0 0 "[ . 1 . 2]" 1
278 1 14 LEU QB 1 46 PHE QE 4.540 . 4.540 3.198 2.395 4.295 . 0 0 "[ . 1 . 2]" 1
279 1 14 LEU HB2 1 15 GLY H 4.660 . 4.660 4.047 3.938 4.171 . 0 0 "[ . 1 . 2]" 1
280 1 14 LEU HB3 1 15 GLY H 4.660 . 4.660 2.997 2.843 3.258 . 0 0 "[ . 1 . 2]" 1
281 1 14 LEU MD1 1 15 GLY H 5.500 . 5.500 4.647 4.564 4.710 . 0 0 "[ . 1 . 2]" 1
282 1 14 LEU MD1 1 17 VAL H 5.500 . 5.500 4.013 3.656 4.217 . 0 0 "[ . 1 . 2]" 1
283 1 14 LEU MD1 1 17 VAL HB 4.860 . 4.860 2.615 2.117 3.032 . 0 0 "[ . 1 . 2]" 1
284 1 14 LEU MD1 1 22 ARG HA 4.650 . 4.650 2.934 2.270 3.744 . 0 0 "[ . 1 . 2]" 1
285 1 14 LEU MD1 1 22 ARG QD 5.190 . 5.190 3.856 2.517 4.444 . 0 0 "[ . 1 . 2]" 1
286 1 14 LEU MD1 1 22 ARG HE 5.500 . 5.500 4.045 3.303 5.038 . 0 0 "[ . 1 . 2]" 1
287 1 14 LEU MD1 1 22 ARG QG 5.360 . 5.360 2.546 2.016 4.405 . 0 0 "[ . 1 . 2]" 1
288 1 14 LEU MD1 1 25 VAL H 5.500 . 5.500 4.362 3.936 4.798 . 0 0 "[ . 1 . 2]" 1
289 1 14 LEU MD1 1 25 VAL HB 4.200 . 4.200 2.487 2.123 2.806 . 0 0 "[ . 1 . 2]" 1
290 1 14 LEU MD1 1 26 ARG H 4.540 . 4.540 3.305 2.858 3.846 . 0 0 "[ . 1 . 2]" 1
291 1 14 LEU MD1 1 46 PHE QE 4.310 . 4.310 2.279 1.727 2.866 . 0 0 "[ . 1 . 2]" 1
292 1 14 LEU MD1 1 46 PHE HZ 4.010 . 4.010 2.696 2.043 3.605 . 0 0 "[ . 1 . 2]" 1
293 1 14 LEU MD2 1 15 GLY H 5.500 . 5.500 4.713 4.505 4.972 . 0 0 "[ . 1 . 2]" 1
294 1 14 LEU MD2 1 17 VAL MG1 5.500 . 5.500 4.974 4.461 5.297 . 0 0 "[ . 1 . 2]" 1
295 1 14 LEU MD2 1 17 VAL MG2 5.250 . 5.250 4.827 4.171 5.097 . 0 0 "[ . 1 . 2]" 1
296 1 14 LEU MD2 1 22 ARG QD 5.330 . 5.330 3.265 2.610 4.323 . 0 0 "[ . 1 . 2]" 1
297 1 14 LEU MD2 1 22 ARG QG 4.810 . 4.810 2.685 1.943 4.161 . 0 0 "[ . 1 . 2]" 1
298 1 14 LEU MD2 1 25 VAL MG1 4.530 . 4.530 4.076 3.677 4.514 . 0 0 "[ . 1 . 2]" 1
299 1 14 LEU MD2 1 26 ARG H 5.120 . 5.120 3.813 3.215 4.391 . 0 0 "[ . 1 . 2]" 1
300 1 14 LEU MD2 1 26 ARG HA 5.080 . 5.080 3.308 2.639 4.207 . 0 0 "[ . 1 . 2]" 1
301 1 14 LEU MD2 1 26 ARG HB2 5.170 . 5.170 2.497 1.838 4.253 . 0 0 "[ . 1 . 2]" 1
302 1 14 LEU MD2 1 26 ARG QB 4.510 . 4.510 2.445 1.829 3.955 . 0 0 "[ . 1 . 2]" 1
303 1 14 LEU MD2 1 26 ARG HB3 5.170 . 5.170 3.847 3.346 4.703 . 0 0 "[ . 1 . 2]" 1
304 1 14 LEU MD2 1 26 ARG HD2 5.100 . 5.100 3.239 2.032 5.143 0.043 13 0 "[ . 1 . 2]" 1
305 1 14 LEU MD2 1 26 ARG QD 4.420 . 4.420 3.050 2.018 4.365 . 0 0 "[ . 1 . 2]" 1
306 1 14 LEU MD2 1 26 ARG HD3 5.100 . 5.100 4.075 3.411 4.923 . 0 0 "[ . 1 . 2]" 1
307 1 14 LEU MD2 1 26 ARG HE 5.500 . 5.500 3.270 1.756 4.823 . 0 0 "[ . 1 . 2]" 1
308 1 14 LEU MD2 1 26 ARG QG 4.890 . 4.890 2.588 1.992 3.718 . 0 0 "[ . 1 . 2]" 1
309 1 14 LEU MD2 1 26 ARG QH2 5.500 . 5.500 4.009 2.248 5.566 0.066 6 0 "[ . 1 . 2]" 1
310 1 14 LEU HG 1 15 GLY H 5.450 . 5.450 4.239 4.084 4.463 . 0 0 "[ . 1 . 2]" 1
311 1 14 LEU HG 1 22 ARG QD 4.990 . 4.990 2.948 1.804 3.817 . 0 0 "[ . 1 . 2]" 1
312 1 14 LEU HG 1 22 ARG HE 5.500 . 5.500 3.010 1.746 4.220 . 0 0 "[ . 1 . 2]" 1
313 1 15 GLY H 1 16 LYS H 3.720 . 3.720 2.591 2.453 2.678 . 0 0 "[ . 1 . 2]" 1
314 1 15 GLY QA 1 16 LYS QG 5.340 . 5.340 4.409 3.857 5.521 0.181 20 0 "[ . 1 . 2]" 1
315 1 15 GLY QA 1 17 VAL H 5.120 . 5.120 3.447 3.240 3.733 . 0 0 "[ . 1 . 2]" 1
316 1 15 GLY QA 1 22 ARG QD 5.040 . 5.040 3.710 2.758 5.091 0.051 10 0 "[ . 1 . 2]" 1
317 1 15 GLY QA 1 22 ARG HE 5.500 . 5.500 3.000 1.653 3.916 . 0 0 "[ . 1 . 2]" 1
318 1 16 LYS H 1 16 LYS QB 3.440 . 3.440 2.358 2.128 2.515 . 0 0 "[ . 1 . 2]" 1
319 1 16 LYS H 1 16 LYS QD 5.030 . 5.030 3.985 3.438 4.758 . 0 0 "[ . 1 . 2]" 1
320 1 16 LYS H 1 16 LYS HG2 4.390 . 4.390 3.415 2.288 4.481 0.091 16 0 "[ . 1 . 2]" 1
321 1 16 LYS H 1 16 LYS QG 3.820 . 3.820 2.711 2.088 3.921 0.101 20 0 "[ . 1 . 2]" 1
322 1 16 LYS H 1 16 LYS HG3 4.390 . 4.390 3.195 2.112 4.446 0.056 9 0 "[ . 1 . 2]" 1
323 1 16 LYS H 1 17 VAL H 3.540 . 3.540 2.416 2.315 2.586 . 0 0 "[ . 1 . 2]" 1
324 1 16 LYS H 1 17 VAL HB 5.500 . 5.500 4.596 4.266 4.839 . 0 0 "[ . 1 . 2]" 1
325 1 16 LYS H 1 17 VAL MG2 4.990 . 4.990 3.632 3.348 3.843 . 0 0 "[ . 1 . 2]" 1
326 1 16 LYS HA 1 16 LYS QD 4.600 . 4.600 3.448 1.961 4.259 . 0 0 "[ . 1 . 2]" 1
327 1 16 LYS HA 1 16 LYS QG 3.740 . 3.740 2.530 2.234 3.011 . 0 0 "[ . 1 . 2]" 1
328 1 16 LYS QB 1 17 VAL H 4.350 . 4.350 3.015 2.647 3.368 . 0 0 "[ . 1 . 2]" 1
329 1 16 LYS QB 1 17 VAL HB 4.780 . 4.780 4.845 4.771 4.915 0.135 19 0 "[ . 1 . 2]" 1
330 1 16 LYS QB 1 17 VAL MG2 4.560 . 4.560 3.037 2.882 3.243 . 0 0 "[ . 1 . 2]" 1
331 1 16 LYS HB2 1 17 VAL H 5.020 . 5.020 3.323 2.793 4.104 . 0 0 "[ . 1 . 2]" 1
332 1 16 LYS HB2 1 17 VAL MG2 5.250 . 5.250 3.445 2.958 4.488 . 0 0 "[ . 1 . 2]" 1
333 1 16 LYS HB3 1 17 VAL H 5.020 . 5.020 3.794 2.714 4.285 . 0 0 "[ . 1 . 2]" 1
334 1 16 LYS HB3 1 17 VAL MG2 5.250 . 5.250 3.876 3.009 4.415 . 0 0 "[ . 1 . 2]" 1
335 1 16 LYS QG 1 17 VAL H 4.680 . 4.680 4.234 4.013 4.653 . 0 0 "[ . 1 . 2]" 1
336 1 17 VAL H 1 17 VAL HB 3.510 . 3.510 2.472 2.392 2.561 . 0 0 "[ . 1 . 2]" 1
337 1 17 VAL H 1 17 VAL MG1 4.290 . 4.290 3.769 3.742 3.809 . 0 0 "[ . 1 . 2]" 1
338 1 17 VAL H 1 17 VAL MG2 3.590 . 3.590 2.337 2.055 2.620 . 0 0 "[ . 1 . 2]" 1
339 1 17 VAL H 1 18 PRO HD2 5.500 . 5.500 5.053 4.657 5.298 . 0 0 "[ . 1 . 2]" 1
340 1 17 VAL H 1 22 ARG HE 5.320 . 5.320 4.072 3.443 5.027 . 0 0 "[ . 1 . 2]" 1
341 1 17 VAL HA 1 17 VAL MG2 3.720 . 3.720 2.390 2.325 2.439 . 0 0 "[ . 1 . 2]" 1
342 1 17 VAL HA 1 18 PRO HD2 3.710 . 3.710 2.349 1.892 2.612 . 0 0 "[ . 1 . 2]" 1
343 1 17 VAL HA 1 18 PRO HD3 3.280 . 3.280 2.105 1.839 2.593 . 0 0 "[ . 1 . 2]" 1
344 1 17 VAL HA 1 18 PRO QG 5.270 . 5.270 3.806 3.719 3.850 . 0 0 "[ . 1 . 2]" 1
345 1 17 VAL HA 1 21 VAL MG2 5.500 . 5.500 4.177 3.860 4.490 . 0 0 "[ . 1 . 2]" 1
346 1 17 VAL HB 1 18 PRO HD3 5.100 . 5.100 4.841 4.639 5.158 0.058 4 0 "[ . 1 . 2]" 1
347 1 17 VAL HB 1 21 VAL MG2 5.500 . 5.500 4.283 4.094 4.507 . 0 0 "[ . 1 . 2]" 1
348 1 17 VAL HB 1 22 ARG HA 4.880 . 4.880 3.370 2.690 4.020 . 0 0 "[ . 1 . 2]" 1
349 1 17 VAL HB 1 22 ARG QB 4.570 . 4.570 3.600 3.011 4.445 . 0 0 "[ . 1 . 2]" 1
350 1 17 VAL HB 1 22 ARG QD 5.500 . 5.500 4.206 2.187 5.245 . 0 0 "[ . 1 . 2]" 1
351 1 17 VAL HB 1 22 ARG HE 5.180 . 5.180 3.651 2.635 4.706 . 0 0 "[ . 1 . 2]" 1
352 1 17 VAL HB 1 22 ARG QG 4.270 . 4.270 3.001 2.346 4.396 0.126 19 0 "[ . 1 . 2]" 1
353 1 17 VAL MG1 1 18 PRO HD2 3.940 . 3.940 2.261 1.947 2.566 . 0 0 "[ . 1 . 2]" 1
354 1 17 VAL MG1 1 18 PRO HD3 4.360 . 4.360 3.356 3.162 3.617 . 0 0 "[ . 1 . 2]" 1
355 1 17 VAL MG1 1 18 PRO QG 4.670 . 4.670 3.691 2.738 4.141 . 0 0 "[ . 1 . 2]" 1
356 1 17 VAL MG1 1 21 VAL H 5.260 . 5.260 3.741 3.467 4.174 . 0 0 "[ . 1 . 2]" 1
357 1 17 VAL MG1 1 21 VAL HB 5.500 . 5.500 3.850 3.149 4.180 . 0 0 "[ . 1 . 2]" 1
358 1 17 VAL MG1 1 21 VAL MG2 3.460 . 3.460 1.975 1.759 2.173 . 0 0 "[ . 1 . 2]" 1
359 1 17 VAL MG1 1 22 ARG H 4.720 . 4.720 3.225 2.879 3.855 . 0 0 "[ . 1 . 2]" 1
360 1 17 VAL MG1 1 22 ARG HA 3.730 . 3.730 2.377 1.968 2.674 . 0 0 "[ . 1 . 2]" 1
361 1 17 VAL MG1 1 22 ARG HB2 5.500 . 5.500 3.035 2.414 4.631 . 0 0 "[ . 1 . 2]" 1
362 1 17 VAL MG1 1 22 ARG QB 4.660 . 4.660 2.938 2.388 4.042 . 0 0 "[ . 1 . 2]" 1
363 1 17 VAL MG1 1 22 ARG HB3 5.500 . 5.500 4.189 3.789 4.850 . 0 0 "[ . 1 . 2]" 1
364 1 17 VAL MG1 1 22 ARG QD 5.500 . 5.500 4.388 2.576 5.068 . 0 0 "[ . 1 . 2]" 1
365 1 17 VAL MG1 1 22 ARG HE 5.500 . 5.500 4.331 3.082 5.541 0.041 16 0 "[ . 1 . 2]" 1
366 1 17 VAL MG1 1 22 ARG QG 4.620 . 4.620 3.358 2.542 4.164 . 0 0 "[ . 1 . 2]" 1
367 1 17 VAL MG1 1 25 VAL HB 5.370 . 5.370 3.196 2.485 3.993 . 0 0 "[ . 1 . 2]" 1
368 1 17 VAL MG1 1 46 PHE HZ 5.350 . 5.350 4.788 4.045 5.361 0.011 7 0 "[ . 1 . 2]" 1
369 1 17 VAL MG2 1 18 PRO HD2 4.690 . 4.690 3.767 3.310 4.053 . 0 0 "[ . 1 . 2]" 1
370 1 17 VAL MG2 1 18 PRO HD3 5.450 . 5.450 4.063 3.842 4.513 . 0 0 "[ . 1 . 2]" 1
371 1 17 VAL MG2 1 21 VAL MG2 4.110 . 4.110 3.976 3.697 4.132 0.022 13 0 "[ . 1 . 2]" 1
372 1 17 VAL MG2 1 22 ARG HA 4.720 . 4.720 4.155 3.677 4.543 . 0 0 "[ . 1 . 2]" 1
373 1 17 VAL MG2 1 22 ARG HE 5.490 . 5.490 4.888 4.246 5.549 0.059 20 0 "[ . 1 . 2]" 1
374 1 17 VAL MG2 1 25 VAL HB 5.500 . 5.500 3.954 3.229 4.900 . 0 0 "[ . 1 . 2]" 1
375 1 17 VAL MG2 1 46 PHE QE 5.500 . 5.500 3.786 3.234 4.263 . 0 0 "[ . 1 . 2]" 1
376 1 17 VAL MG2 1 46 PHE HZ 3.850 . 3.850 2.949 2.156 3.484 . 0 0 "[ . 1 . 2]" 1
377 1 18 PRO HA 1 19 PHE H 3.530 . 3.530 2.195 2.151 2.330 . 0 0 "[ . 1 . 2]" 1
378 1 18 PRO HA 1 19 PHE HA 5.500 . 5.500 4.242 4.141 4.334 . 0 0 "[ . 1 . 2]" 1
379 1 18 PRO HA 1 19 PHE QD 5.300 . 5.300 4.652 3.520 5.502 0.202 5 0 "[ . 1 . 2]" 1
380 1 18 PRO HA 1 20 PHE H 5.430 . 5.430 4.038 3.750 4.376 . 0 0 "[ . 1 . 2]" 1
381 1 18 PRO HB2 1 20 PHE H 5.310 . 5.310 3.011 2.568 3.427 . 0 0 "[ . 1 . 2]" 1
382 1 18 PRO HB2 1 20 PHE QD 5.070 . 5.070 2.552 1.804 3.732 . 0 0 "[ . 1 . 2]" 1
383 1 18 PRO HB2 1 20 PHE QE 5.500 . 5.500 4.275 3.175 5.338 . 0 0 "[ . 1 . 2]" 1
384 1 18 PRO HB2 1 21 VAL H 4.840 . 4.840 3.191 2.675 3.672 . 0 0 "[ . 1 . 2]" 1
385 1 18 PRO HB2 1 21 VAL MG2 4.370 . 4.370 2.799 1.909 3.725 . 0 0 "[ . 1 . 2]" 1
386 1 18 PRO HB2 1 22 ARG H 5.500 . 5.500 4.562 4.025 5.163 . 0 0 "[ . 1 . 2]" 1
387 1 18 PRO HB3 1 20 PHE H 5.500 . 5.500 3.745 3.351 4.445 . 0 0 "[ . 1 . 2]" 1
388 1 18 PRO HB3 1 20 PHE QD 5.500 . 5.500 2.883 2.081 4.072 . 0 0 "[ . 1 . 2]" 1
389 1 18 PRO HB3 1 21 VAL H 5.500 . 5.500 4.753 4.022 5.312 . 0 0 "[ . 1 . 2]" 1
390 1 18 PRO HB3 1 21 VAL MG2 4.910 . 4.910 4.263 3.475 4.943 0.033 7 0 "[ . 1 . 2]" 1
391 1 18 PRO HD2 1 21 VAL MG1 5.500 . 5.500 4.885 4.464 5.463 . 0 0 "[ . 1 . 2]" 1
392 1 18 PRO HD2 1 21 VAL MG2 4.310 . 4.310 2.803 2.313 3.352 . 0 0 "[ . 1 . 2]" 1
393 1 18 PRO HD3 1 21 VAL MG2 5.020 . 5.020 4.158 3.714 4.540 . 0 0 "[ . 1 . 2]" 1
394 1 18 PRO QG 1 19 PHE H 5.500 . 5.500 4.592 4.474 4.793 . 0 0 "[ . 1 . 2]" 1
395 1 18 PRO QG 1 21 VAL H 4.920 . 4.920 4.481 3.300 4.947 0.027 11 0 "[ . 1 . 2]" 1
396 1 18 PRO QG 1 21 VAL MG2 4.420 . 4.420 3.040 1.720 3.793 . 0 0 "[ . 1 . 2]" 1
397 1 19 PHE H 1 19 PHE HB2 4.040 . 4.040 2.799 2.200 3.620 . 0 0 "[ . 1 . 2]" 1
398 1 19 PHE H 1 19 PHE HB3 4.040 . 4.040 2.718 2.438 3.531 . 0 0 "[ . 1 . 2]" 1
399 1 19 PHE H 1 19 PHE QD 5.320 . 5.320 3.147 1.979 4.056 . 0 0 "[ . 1 . 2]" 1
400 1 19 PHE H 1 20 PHE H 5.250 . 5.250 2.741 2.556 2.877 . 0 0 "[ . 1 . 2]" 1
401 1 19 PHE HA 1 19 PHE QD 4.420 . 4.420 3.021 2.275 3.744 . 0 0 "[ . 1 . 2]" 1
402 1 19 PHE HA 1 20 PHE HA 5.500 . 5.500 4.840 4.641 4.901 . 0 0 "[ . 1 . 2]" 1
403 1 19 PHE HA 1 21 VAL H 5.500 . 5.500 4.249 3.768 4.819 . 0 0 "[ . 1 . 2]" 1
404 1 19 PHE HA 1 22 ARG H 4.600 . 4.600 3.137 2.850 3.503 . 0 0 "[ . 1 . 2]" 1
405 1 19 PHE HA 1 22 ARG HB2 4.210 . 4.210 2.336 1.837 2.756 . 0 0 "[ . 1 . 2]" 1
406 1 19 PHE HA 1 22 ARG HB3 4.210 . 4.210 2.381 1.706 4.105 . 0 0 "[ . 1 . 2]" 1
407 1 19 PHE HA 1 22 ARG QD 5.090 . 5.090 2.895 2.158 4.449 . 0 0 "[ . 1 . 2]" 1
408 1 19 PHE HA 1 22 ARG HE 5.300 . 5.300 4.044 2.796 5.346 0.046 14 0 "[ . 1 . 2]" 1
409 1 19 PHE HA 1 22 ARG QG 5.500 . 5.500 3.562 1.614 4.123 . 0 0 "[ . 1 . 2]" 1
410 1 19 PHE QB 1 20 PHE H 4.300 . 4.300 3.186 2.573 3.762 . 0 0 "[ . 1 . 2]" 1
411 1 19 PHE QD 1 20 PHE HA 5.500 . 5.500 3.977 3.225 5.579 0.079 17 0 "[ . 1 . 2]" 1
412 1 19 PHE QD 1 22 ARG QB 5.340 . 5.340 3.953 3.034 5.352 0.012 1 0 "[ . 1 . 2]" 1
413 1 19 PHE QD 1 22 ARG QD 5.500 . 5.500 3.773 1.850 5.507 0.007 3 0 "[ . 1 . 2]" 1
414 1 20 PHE H 1 20 PHE QB 3.640 . 3.640 2.578 2.477 2.737 . 0 0 "[ . 1 . 2]" 1
415 1 20 PHE H 1 20 PHE QD 4.870 . 4.870 2.529 2.269 2.705 . 0 0 "[ . 1 . 2]" 1
416 1 20 PHE H 1 21 VAL H 3.940 . 3.940 2.756 2.484 2.977 . 0 0 "[ . 1 . 2]" 1
417 1 20 PHE H 1 21 VAL MG1 5.500 . 5.500 4.524 4.342 4.791 . 0 0 "[ . 1 . 2]" 1
418 1 20 PHE H 1 21 VAL MG2 5.500 . 5.500 4.030 3.473 4.234 . 0 0 "[ . 1 . 2]" 1
419 1 20 PHE HA 1 20 PHE QD 4.270 . 4.270 2.764 2.594 3.718 . 0 0 "[ . 1 . 2]" 1
420 1 20 PHE HA 1 20 PHE QE 5.500 . 5.500 4.698 4.537 5.632 0.132 1 0 "[ . 1 . 2]" 1
421 1 20 PHE HA 1 21 VAL MG1 5.500 . 5.500 4.471 4.215 4.707 . 0 0 "[ . 1 . 2]" 1
422 1 20 PHE HA 1 21 VAL MG2 5.500 . 5.500 5.063 4.783 5.156 . 0 0 "[ . 1 . 2]" 1
423 1 20 PHE HA 1 22 ARG H 5.380 . 5.380 4.295 4.025 4.475 . 0 0 "[ . 1 . 2]" 1
424 1 20 PHE QB 1 21 VAL MG1 4.610 . 4.610 2.597 2.381 3.773 . 0 0 "[ . 1 . 2]" 1
425 1 20 PHE QB 1 22 ARG H 5.340 . 5.340 4.313 3.962 5.057 . 0 0 "[ . 1 . 2]" 1
426 1 20 PHE HB2 1 21 VAL H 5.500 . 5.500 2.572 2.034 4.179 . 0 0 "[ . 1 . 2]" 1
427 1 20 PHE HB2 1 21 VAL MG1 5.290 . 5.290 2.706 2.476 3.913 . 0 0 "[ . 1 . 2]" 1
428 1 20 PHE HB2 1 21 VAL MG2 5.500 . 5.500 3.447 3.172 4.767 . 0 0 "[ . 1 . 2]" 1
429 1 20 PHE HB3 1 21 VAL H 5.500 . 5.500 3.682 3.028 4.389 . 0 0 "[ . 1 . 2]" 1
430 1 20 PHE HB3 1 21 VAL MG1 5.290 . 5.290 3.367 2.909 4.947 . 0 0 "[ . 1 . 2]" 1
431 1 20 PHE HB3 1 21 VAL MG2 5.500 . 5.500 4.668 4.360 5.121 . 0 0 "[ . 1 . 2]" 1
432 1 20 PHE QD 1 21 VAL MG1 4.150 . 4.150 4.097 2.047 4.260 0.110 15 0 "[ . 1 . 2]" 1
433 1 21 VAL H 1 21 VAL MG2 3.680 . 3.680 2.039 1.939 2.125 . 0 0 "[ . 1 . 2]" 1
434 1 21 VAL H 1 22 ARG H 3.200 . 3.200 2.159 1.959 2.383 . 0 0 "[ . 1 . 2]" 1
435 1 21 VAL H 1 22 ARG HA 5.500 . 5.500 4.539 4.263 4.905 . 0 0 "[ . 1 . 2]" 1
436 1 21 VAL H 1 22 ARG HB2 5.500 . 5.500 4.195 3.875 4.604 . 0 0 "[ . 1 . 2]" 1
437 1 21 VAL H 1 22 ARG HB3 5.500 . 5.500 4.692 4.244 5.571 0.071 6 0 "[ . 1 . 2]" 1
438 1 21 VAL HA 1 21 VAL MG1 3.720 . 3.720 2.337 2.199 2.374 . 0 0 "[ . 1 . 2]" 1
439 1 21 VAL HA 1 24 LYS H 5.010 . 5.010 3.142 2.962 3.309 . 0 0 "[ . 1 . 2]" 1
440 1 21 VAL HA 1 24 LYS QB 4.480 . 4.480 2.808 2.311 3.370 . 0 0 "[ . 1 . 2]" 1
441 1 21 VAL HB 1 24 LYS H 5.360 . 5.360 4.467 4.013 4.945 . 0 0 "[ . 1 . 2]" 1
442 1 21 VAL HB 1 25 VAL MG2 4.520 . 4.520 3.061 2.558 3.431 . 0 0 "[ . 1 . 2]" 1
443 1 21 VAL MG1 1 22 ARG H 5.500 . 5.500 4.162 4.032 4.337 . 0 0 "[ . 1 . 2]" 1
444 1 21 VAL MG1 1 22 ARG HA 5.500 . 5.500 5.526 5.466 5.570 0.070 6 0 "[ . 1 . 2]" 1
445 1 21 VAL MG1 1 24 LYS QB 5.500 . 5.500 3.669 3.196 4.145 . 0 0 "[ . 1 . 2]" 1
446 1 21 VAL MG1 1 24 LYS QE 5.290 . 5.290 4.415 2.828 5.331 0.041 3 0 "[ . 1 . 2]" 1
447 1 21 VAL MG2 1 22 ARG H 4.420 . 4.420 2.945 2.517 3.432 . 0 0 "[ . 1 . 2]" 1
448 1 21 VAL MG2 1 22 ARG HA 5.260 . 5.260 3.378 3.193 3.814 . 0 0 "[ . 1 . 2]" 1
449 1 21 VAL MG2 1 22 ARG QB 5.340 . 5.340 3.918 3.505 4.660 . 0 0 "[ . 1 . 2]" 1
450 1 21 VAL MG2 1 23 LYS H 5.500 . 5.500 4.872 4.667 5.151 . 0 0 "[ . 1 . 2]" 1
451 1 21 VAL MG2 1 24 LYS QB 4.980 . 4.980 4.176 3.655 4.593 . 0 0 "[ . 1 . 2]" 1
452 1 21 VAL MG2 1 25 VAL H 5.190 . 5.190 4.363 3.895 5.155 . 0 0 "[ . 1 . 2]" 1
453 1 22 ARG H 1 22 ARG HB2 3.580 . 3.580 2.458 2.310 2.641 . 0 0 "[ . 1 . 2]" 1
454 1 22 ARG H 1 22 ARG HB3 3.580 . 3.580 2.690 2.393 3.604 0.024 6 0 "[ . 1 . 2]" 1
455 1 22 ARG H 1 22 ARG QD 5.500 . 5.500 4.463 3.976 4.749 . 0 0 "[ . 1 . 2]" 1
456 1 22 ARG H 1 22 ARG QG 4.900 . 4.900 3.813 2.387 4.031 . 0 0 "[ . 1 . 2]" 1
457 1 22 ARG H 1 23 LYS H 4.640 . 4.640 2.715 2.625 2.836 . 0 0 "[ . 1 . 2]" 1
458 1 22 ARG HA 1 22 ARG QG 3.810 . 3.810 2.482 2.301 2.973 . 0 0 "[ . 1 . 2]" 1
459 1 22 ARG HA 1 24 LYS H 5.500 . 5.500 4.281 4.075 4.519 . 0 0 "[ . 1 . 2]" 1
460 1 22 ARG HA 1 25 VAL H 4.650 . 4.650 3.497 3.298 3.909 . 0 0 "[ . 1 . 2]" 1
461 1 22 ARG HA 1 25 VAL HB 4.180 . 4.180 2.954 2.515 3.475 . 0 0 "[ . 1 . 2]" 1
462 1 22 ARG HA 1 25 VAL MG2 4.640 . 4.640 3.160 2.713 3.702 . 0 0 "[ . 1 . 2]" 1
463 1 22 ARG HA 1 26 ARG H 5.310 . 5.310 3.966 3.710 4.306 . 0 0 "[ . 1 . 2]" 1
464 1 22 ARG QB 1 22 ARG HE 4.370 . 4.370 2.992 2.041 3.978 . 0 0 "[ . 1 . 2]" 1
465 1 22 ARG QB 1 23 LYS H 4.290 . 4.290 2.535 2.355 2.699 . 0 0 "[ . 1 . 2]" 1
466 1 22 ARG QG 1 23 LYS HA 5.500 . 5.500 3.957 3.427 5.669 0.169 6 0 "[ . 1 . 2]" 1
467 1 22 ARG QG 1 26 ARG H 5.500 . 5.500 4.248 3.602 5.549 0.049 6 0 "[ . 1 . 2]" 1
468 1 23 LYS H 1 23 LYS QB 3.740 . 3.740 2.368 2.175 2.628 . 0 0 "[ . 1 . 2]" 1
469 1 23 LYS H 1 23 LYS HG2 5.500 . 5.500 3.455 1.879 4.577 . 0 0 "[ . 1 . 2]" 1
470 1 23 LYS H 1 23 LYS QG 4.700 . 4.700 2.964 1.867 4.043 . 0 0 "[ . 1 . 2]" 1
471 1 23 LYS H 1 23 LYS HG3 5.500 . 5.500 3.668 1.920 4.501 . 0 0 "[ . 1 . 2]" 1
472 1 23 LYS H 1 24 LYS H 3.950 . 3.950 2.601 2.490 2.696 . 0 0 "[ . 1 . 2]" 1
473 1 23 LYS HA 1 23 LYS QD 4.960 . 4.960 3.520 1.916 4.434 . 0 0 "[ . 1 . 2]" 1
474 1 23 LYS HA 1 23 LYS QE 5.500 . 5.500 4.164 2.582 5.594 0.094 2 0 "[ . 1 . 2]" 1
475 1 23 LYS HA 1 26 ARG H 4.590 . 4.590 3.536 3.217 3.805 . 0 0 "[ . 1 . 2]" 1
476 1 23 LYS HA 1 26 ARG QD 5.340 . 5.340 3.659 3.138 4.966 . 0 0 "[ . 1 . 2]" 1
477 1 23 LYS QB 1 24 LYS H 3.820 . 3.820 2.766 2.473 3.627 . 0 0 "[ . 1 . 2]" 1
478 1 23 LYS QG 1 24 LYS H 5.340 . 5.340 3.665 2.135 4.214 . 0 0 "[ . 1 . 2]" 1
479 1 24 LYS H 1 24 LYS QB 3.290 . 3.290 2.277 2.198 2.493 . 0 0 "[ . 1 . 2]" 1
480 1 24 LYS H 1 24 LYS HG2 5.500 . 5.500 4.186 2.251 4.595 . 0 0 "[ . 1 . 2]" 1
481 1 24 LYS H 1 24 LYS HG3 5.500 . 5.500 4.050 2.171 4.545 . 0 0 "[ . 1 . 2]" 1
482 1 24 LYS H 1 25 VAL H 3.750 . 3.750 2.644 2.419 2.848 . 0 0 "[ . 1 . 2]" 1
483 1 24 LYS H 1 25 VAL HB 5.500 . 5.500 4.868 4.643 5.090 . 0 0 "[ . 1 . 2]" 1
484 1 24 LYS H 1 25 VAL MG2 5.100 . 5.100 4.066 3.784 4.390 . 0 0 "[ . 1 . 2]" 1
485 1 24 LYS H 1 26 ARG H 5.310 . 5.310 4.050 3.816 4.261 . 0 0 "[ . 1 . 2]" 1
486 1 24 LYS HA 1 25 VAL MG2 5.500 . 5.500 4.938 4.794 5.040 . 0 0 "[ . 1 . 2]" 1
487 1 24 LYS QB 1 25 VAL H 3.750 . 3.750 2.427 2.268 2.749 . 0 0 "[ . 1 . 2]" 1
488 1 24 LYS QB 1 25 VAL HA 5.500 . 5.500 4.037 3.758 4.215 . 0 0 "[ . 1 . 2]" 1
489 1 24 LYS QB 1 25 VAL MG2 4.510 . 4.510 3.039 2.790 3.380 . 0 0 "[ . 1 . 2]" 1
490 1 24 LYS QB 1 28 ASN QD 5.340 . 5.340 4.374 2.693 5.463 0.123 2 0 "[ . 1 . 2]" 1
491 1 24 LYS QG 1 28 ASN QD 4.760 . 4.760 3.577 1.965 4.822 0.062 19 0 "[ . 1 . 2]" 1
492 1 25 VAL H 1 25 VAL HB 3.450 . 3.450 2.559 2.477 2.605 . 0 0 "[ . 1 . 2]" 1
493 1 25 VAL H 1 25 VAL MG2 3.440 . 3.440 2.068 1.957 2.257 . 0 0 "[ . 1 . 2]" 1
494 1 25 VAL H 1 26 ARG H 3.810 . 3.810 2.668 2.524 2.808 . 0 0 "[ . 1 . 2]" 1
495 1 25 VAL HA 1 25 VAL MG2 3.520 . 3.520 2.385 2.339 2.430 . 0 0 "[ . 1 . 2]" 1
496 1 25 VAL HA 1 27 LYS H 5.500 . 5.500 4.486 4.204 4.754 . 0 0 "[ . 1 . 2]" 1
497 1 25 VAL HA 1 28 ASN H 4.660 . 4.660 3.367 3.148 3.690 . 0 0 "[ . 1 . 2]" 1
498 1 25 VAL HA 1 28 ASN HB2 4.690 . 4.690 2.703 2.157 3.317 . 0 0 "[ . 1 . 2]" 1
499 1 25 VAL HA 1 28 ASN QB 3.940 . 3.940 2.516 2.144 2.797 . 0 0 "[ . 1 . 2]" 1
500 1 25 VAL HA 1 28 ASN HB3 4.690 . 4.690 3.668 2.273 4.482 . 0 0 "[ . 1 . 2]" 1
501 1 25 VAL HA 1 28 ASN QD 4.950 . 4.950 3.082 2.046 4.377 . 0 0 "[ . 1 . 2]" 1
502 1 25 VAL HA 1 29 THR H 5.310 . 5.310 4.148 3.752 4.527 . 0 0 "[ . 1 . 2]" 1
503 1 25 VAL HB 1 26 ARG H 3.950 . 3.950 2.597 2.475 2.731 . 0 0 "[ . 1 . 2]" 1
504 1 25 VAL MG1 1 26 ARG H 4.590 . 4.590 3.454 3.352 3.541 . 0 0 "[ . 1 . 2]" 1
505 1 25 VAL MG1 1 28 ASN H 5.500 . 5.500 4.471 4.307 4.709 . 0 0 "[ . 1 . 2]" 1
506 1 25 VAL MG1 1 28 ASN QB 5.340 . 5.340 3.430 3.174 3.762 . 0 0 "[ . 1 . 2]" 1
507 1 25 VAL MG1 1 28 ASN QD 5.340 . 5.340 4.275 3.019 5.418 0.078 8 0 "[ . 1 . 2]" 1
508 1 25 VAL MG1 1 46 PHE QE 5.190 . 5.190 2.529 1.929 3.172 . 0 0 "[ . 1 . 2]" 1
509 1 25 VAL MG1 1 46 PHE HZ 4.320 . 4.320 2.894 2.199 3.373 . 0 0 "[ . 1 . 2]" 1
510 1 25 VAL MG2 1 26 ARG H 4.950 . 4.950 3.802 3.713 3.941 . 0 0 "[ . 1 . 2]" 1
511 1 25 VAL MG2 1 28 ASN QD 5.340 . 5.340 4.088 3.004 5.337 . 0 0 "[ . 1 . 2]" 1
512 1 26 ARG H 1 26 ARG HB2 3.670 . 3.670 2.383 2.106 2.560 . 0 0 "[ . 1 . 2]" 1
513 1 26 ARG H 1 26 ARG HB3 3.670 . 3.670 2.768 2.465 3.563 . 0 0 "[ . 1 . 2]" 1
514 1 26 ARG H 1 26 ARG QD 5.340 . 5.340 4.422 4.212 4.787 . 0 0 "[ . 1 . 2]" 1
515 1 26 ARG H 1 26 ARG QG 5.030 . 5.030 3.816 2.743 3.984 . 0 0 "[ . 1 . 2]" 1
516 1 26 ARG H 1 27 LYS H 3.950 . 3.950 2.757 2.671 2.861 . 0 0 "[ . 1 . 2]" 1
517 1 26 ARG H 1 28 ASN QB 5.340 . 5.340 4.839 4.594 5.139 . 0 0 "[ . 1 . 2]" 1
518 1 26 ARG HA 1 26 ARG HD2 5.500 . 5.500 4.413 3.812 4.744 . 0 0 "[ . 1 . 2]" 1
519 1 26 ARG HA 1 26 ARG QD 4.830 . 4.830 3.966 2.838 4.258 . 0 0 "[ . 1 . 2]" 1
520 1 26 ARG HA 1 26 ARG HD3 5.500 . 5.500 4.554 2.928 4.898 . 0 0 "[ . 1 . 2]" 1
521 1 26 ARG HA 1 29 THR H 4.710 . 4.710 3.536 3.261 3.900 . 0 0 "[ . 1 . 2]" 1
522 1 26 ARG HA 1 29 THR HG1 4.270 . 4.270 2.429 1.810 3.080 . 0 0 "[ . 1 . 2]" 1
523 1 26 ARG QB 1 27 LYS H 3.880 . 3.880 2.477 2.234 2.780 . 0 0 "[ . 1 . 2]" 1
524 1 26 ARG HB2 1 27 LYS H 4.610 . 4.610 3.624 2.766 3.979 . 0 0 "[ . 1 . 2]" 1
525 1 26 ARG HB3 1 27 LYS H 4.610 . 4.610 2.575 2.261 3.388 . 0 0 "[ . 1 . 2]" 1
526 1 26 ARG QG 1 27 LYS H 4.580 . 4.580 3.813 3.365 4.426 . 0 0 "[ . 1 . 2]" 1
527 1 26 ARG QG 1 30 ASP H 5.340 . 5.340 4.431 3.668 5.370 0.030 10 0 "[ . 1 . 2]" 1
528 1 27 LYS H 1 27 LYS QB 3.430 . 3.430 2.238 2.166 2.292 . 0 0 "[ . 1 . 2]" 1
529 1 27 LYS H 1 27 LYS HG2 5.500 . 5.500 4.461 4.341 4.610 . 0 0 "[ . 1 . 2]" 1
530 1 27 LYS H 1 27 LYS HG3 5.500 . 5.500 4.452 4.338 4.521 . 0 0 "[ . 1 . 2]" 1
531 1 27 LYS H 1 28 ASN H 3.850 . 3.850 2.615 2.525 2.756 . 0 0 "[ . 1 . 2]" 1
532 1 27 LYS HA 1 27 LYS QD 4.870 . 4.870 3.918 1.971 4.256 . 0 0 "[ . 1 . 2]" 1
533 1 27 LYS HA 1 30 ASP H 5.500 . 5.500 3.352 3.058 3.593 . 0 0 "[ . 1 . 2]" 1
534 1 27 LYS HA 1 30 ASP HB2 4.650 . 4.650 2.787 2.077 3.597 . 0 0 "[ . 1 . 2]" 1
535 1 27 LYS HA 1 30 ASP QB 3.790 . 3.790 2.381 2.027 2.980 . 0 0 "[ . 1 . 2]" 1
536 1 27 LYS HA 1 30 ASP HB3 4.650 . 4.650 3.084 2.105 4.648 . 0 0 "[ . 1 . 2]" 1
537 1 27 LYS QB 1 27 LYS QE 4.190 . 4.190 3.011 1.841 3.654 . 0 0 "[ . 1 . 2]" 1
538 1 27 LYS QB 1 28 ASN H 3.710 . 3.710 2.752 2.542 2.922 . 0 0 "[ . 1 . 2]" 1
539 1 27 LYS QB 1 29 THR H 5.290 . 5.290 4.886 4.690 5.069 . 0 0 "[ . 1 . 2]" 1
540 1 27 LYS QE 1 27 LYS QG 3.340 . 3.340 2.270 2.116 2.708 . 0 0 "[ . 1 . 2]" 1
541 1 27 LYS HG2 1 31 ASN HD21 5.500 . 5.500 3.260 2.680 4.208 . 0 0 "[ . 1 . 2]" 1
542 1 27 LYS HG2 1 31 ASN HD22 5.500 . 5.500 3.257 2.583 4.294 . 0 0 "[ . 1 . 2]" 1
543 1 27 LYS HG3 1 31 ASN HD21 5.500 . 5.500 3.839 2.529 5.282 . 0 0 "[ . 1 . 2]" 1
544 1 27 LYS HG3 1 31 ASN HD22 5.500 . 5.500 3.541 2.718 5.182 . 0 0 "[ . 1 . 2]" 1
545 1 28 ASN H 1 28 ASN HB2 4.150 . 4.150 2.354 2.152 2.603 . 0 0 "[ . 1 . 2]" 1
546 1 28 ASN H 1 28 ASN QB 3.410 . 3.410 2.274 2.106 2.419 . 0 0 "[ . 1 . 2]" 1
547 1 28 ASN H 1 28 ASN HB3 4.150 . 4.150 3.274 2.460 3.614 . 0 0 "[ . 1 . 2]" 1
548 1 28 ASN H 1 28 ASN QD 5.340 . 5.340 3.583 2.270 4.482 . 0 0 "[ . 1 . 2]" 1
549 1 28 ASN H 1 29 THR H 3.950 . 3.950 2.592 2.401 2.746 . 0 0 "[ . 1 . 2]" 1
550 1 28 ASN H 1 29 THR HG1 5.450 . 5.450 4.139 3.694 4.863 . 0 0 "[ . 1 . 2]" 1
551 1 28 ASN H 1 29 THR MG 5.500 . 5.500 5.261 4.493 5.724 0.224 15 0 "[ . 1 . 2]" 1
552 1 28 ASN HA 1 31 ASN H 4.640 . 4.640 3.574 3.338 3.740 . 0 0 "[ . 1 . 2]" 1
553 1 28 ASN HA 1 31 ASN QB 3.200 . 3.200 2.967 2.642 3.221 0.021 16 0 "[ . 1 . 2]" 1
554 1 28 ASN HA 1 31 ASN HD21 4.640 . 4.640 3.463 2.809 4.662 0.022 19 0 "[ . 1 . 2]" 1
555 1 28 ASN HA 1 31 ASN HD22 5.500 . 5.500 4.814 3.837 5.381 . 0 0 "[ . 1 . 2]" 1
556 1 28 ASN HA 1 32 TYR H 5.500 . 5.500 4.368 4.150 4.547 . 0 0 "[ . 1 . 2]" 1
557 1 28 ASN QB 1 29 THR H 3.990 . 3.990 2.586 2.352 2.870 . 0 0 "[ . 1 . 2]" 1
558 1 28 ASN QB 1 29 THR MG 5.340 . 5.340 4.107 3.394 4.960 . 0 0 "[ . 1 . 2]" 1
559 1 28 ASN QB 1 53 LEU MD1 4.640 . 4.640 2.515 1.483 3.791 . 0 0 "[ . 1 . 2]" 1
560 1 28 ASN QB 1 53 LEU MD2 4.360 . 4.360 3.314 1.802 4.366 0.006 2 0 "[ . 1 . 2]" 1
561 1 28 ASN HB2 1 53 LEU MD1 5.500 . 5.500 3.464 2.154 4.806 . 0 0 "[ . 1 . 2]" 1
562 1 28 ASN HB2 1 53 LEU MD2 5.020 . 5.020 4.508 2.984 5.077 0.057 19 0 "[ . 1 . 2]" 1
563 1 28 ASN HB3 1 53 LEU MD1 5.500 . 5.500 2.635 1.491 3.969 . 0 0 "[ . 1 . 2]" 1
564 1 28 ASN HB3 1 53 LEU MD2 5.020 . 5.020 3.445 1.809 4.762 . 0 0 "[ . 1 . 2]" 1
565 1 28 ASN QD 1 53 LEU MD1 5.340 . 5.340 3.374 1.951 4.939 . 0 0 "[ . 1 . 2]" 1
566 1 28 ASN QD 1 53 LEU MD2 5.340 . 5.340 3.702 1.997 5.170 . 0 0 "[ . 1 . 2]" 1
567 1 29 THR H 1 29 THR HG1 3.200 . 3.200 2.226 1.957 2.757 . 0 0 "[ . 1 . 2]" 1
568 1 29 THR H 1 29 THR MG 4.400 . 4.400 3.184 2.468 3.741 . 0 0 "[ . 1 . 2]" 1
569 1 29 THR H 1 30 ASP H 3.670 . 3.670 2.563 2.445 2.661 . 0 0 "[ . 1 . 2]" 1
570 1 29 THR H 1 31 ASN H 5.500 . 5.500 4.185 3.895 4.385 . 0 0 "[ . 1 . 2]" 1
571 1 29 THR H 1 49 ALA MB 5.500 . 5.500 4.767 4.214 5.151 . 0 0 "[ . 1 . 2]" 1
572 1 29 THR HA 1 29 THR MG 3.530 . 3.530 2.195 2.144 2.282 . 0 0 "[ . 1 . 2]" 1
573 1 29 THR HA 1 41 VAL MG2 5.500 . 5.500 5.057 4.690 5.363 . 0 0 "[ . 1 . 2]" 1
574 1 29 THR HB 1 30 ASP H 4.980 . 4.980 3.117 2.707 3.635 . 0 0 "[ . 1 . 2]" 1
575 1 29 THR HB 1 30 ASP QB 5.340 . 5.340 4.745 4.228 5.273 . 0 0 "[ . 1 . 2]" 1
576 1 29 THR HB 1 32 TYR H 4.660 . 4.660 4.801 4.756 4.873 0.213 19 0 "[ . 1 . 2]" 1
577 1 29 THR HB 1 32 TYR QB 4.050 . 4.050 4.054 3.838 4.163 0.113 19 0 "[ . 1 . 2]" 1
578 1 29 THR HB 1 32 TYR QD 5.010 . 5.010 4.899 4.539 5.071 0.061 19 0 "[ . 1 . 2]" 1
579 1 29 THR HB 1 33 ALA MB 4.930 . 4.930 4.263 3.544 4.810 . 0 0 "[ . 1 . 2]" 1
580 1 29 THR HB 1 49 ALA MB 5.450 . 5.450 4.182 3.297 4.583 . 0 0 "[ . 1 . 2]" 1
581 1 29 THR HG1 1 30 ASP H 3.970 . 3.970 2.876 1.839 3.862 . 0 0 "[ . 1 . 2]" 1
582 1 29 THR HG1 1 41 VAL MG2 5.500 . 5.500 4.818 3.747 5.516 0.016 19 0 "[ . 1 . 2]" 1
583 1 29 THR MG 1 30 ASP H 4.580 . 4.580 4.099 3.914 4.247 . 0 0 "[ . 1 . 2]" 1
584 1 29 THR MG 1 30 ASP HA 5.420 . 5.420 4.950 4.209 5.465 0.045 13 0 "[ . 1 . 2]" 1
585 1 29 THR MG 1 32 TYR H 5.500 . 5.500 4.450 3.969 4.853 . 0 0 "[ . 1 . 2]" 1
586 1 29 THR MG 1 32 TYR QD 4.760 . 4.760 3.186 2.408 4.229 . 0 0 "[ . 1 . 2]" 1
587 1 29 THR MG 1 41 VAL MG1 3.450 . 3.450 2.840 2.298 3.384 . 0 0 "[ . 1 . 2]" 1
588 1 29 THR MG 1 41 VAL MG2 3.990 . 3.990 3.762 2.872 4.101 0.111 1 0 "[ . 1 . 2]" 1
589 1 29 THR MG 1 46 PHE H 5.500 . 5.500 4.564 3.947 5.460 . 0 0 "[ . 1 . 2]" 1
590 1 29 THR MG 1 46 PHE HA 3.900 . 3.900 2.638 2.057 3.296 . 0 0 "[ . 1 . 2]" 1
591 1 29 THR MG 1 46 PHE HB2 5.400 . 5.400 3.742 3.042 4.788 . 0 0 "[ . 1 . 2]" 1
592 1 29 THR MG 1 46 PHE QD 3.530 . 3.530 2.282 1.453 3.146 . 0 0 "[ . 1 . 2]" 1
593 1 30 ASP H 1 30 ASP HB2 4.120 . 4.120 2.490 2.127 2.681 . 0 0 "[ . 1 . 2]" 1
594 1 30 ASP H 1 30 ASP QB 3.390 . 3.390 2.283 2.107 2.455 . 0 0 "[ . 1 . 2]" 1
595 1 30 ASP H 1 30 ASP HB3 4.120 . 4.120 2.934 2.377 3.624 . 0 0 "[ . 1 . 2]" 1
596 1 30 ASP H 1 31 ASN H 3.870 . 3.870 2.747 2.642 2.839 . 0 0 "[ . 1 . 2]" 1
597 1 30 ASP H 1 32 TYR H 4.860 . 4.860 3.808 3.657 4.012 . 0 0 "[ . 1 . 2]" 1
598 1 30 ASP H 1 33 ALA MB 5.500 . 5.500 4.977 4.814 5.298 . 0 0 "[ . 1 . 2]" 1
599 1 30 ASP HA 1 32 TYR H 5.500 . 5.500 4.199 4.034 4.440 . 0 0 "[ . 1 . 2]" 1
600 1 30 ASP HA 1 33 ALA H 4.590 . 4.590 3.755 3.510 4.019 . 0 0 "[ . 1 . 2]" 1
601 1 30 ASP HA 1 33 ALA MB 4.110 . 4.110 3.216 2.899 3.570 . 0 0 "[ . 1 . 2]" 1
602 1 30 ASP HA 1 34 ARG H 5.160 . 5.160 4.268 3.712 4.802 . 0 0 "[ . 1 . 2]" 1
603 1 30 ASP HA 1 41 VAL MG2 4.350 . 4.350 3.347 2.888 4.320 . 0 0 "[ . 1 . 2]" 1
604 1 30 ASP QB 1 31 ASN H 3.940 . 3.940 2.477 2.241 2.658 . 0 0 "[ . 1 . 2]" 1
605 1 30 ASP HB2 1 31 ASN H 4.530 . 4.530 3.337 2.431 3.956 . 0 0 "[ . 1 . 2]" 1
606 1 30 ASP HB3 1 31 ASN H 4.530 . 4.530 2.827 2.260 3.580 . 0 0 "[ . 1 . 2]" 1
607 1 31 ASN H 1 31 ASN HB2 4.080 . 4.080 2.319 2.255 2.444 . 0 0 "[ . 1 . 2]" 1
608 1 31 ASN H 1 31 ASN QB 3.290 . 3.290 2.291 2.231 2.406 . 0 0 "[ . 1 . 2]" 1
609 1 31 ASN H 1 31 ASN HB3 4.080 . 4.080 3.568 3.541 3.593 . 0 0 "[ . 1 . 2]" 1
610 1 31 ASN H 1 32 TYR H 3.980 . 3.980 2.523 2.423 2.670 . 0 0 "[ . 1 . 2]" 1
611 1 31 ASN H 1 33 ALA H 5.500 . 5.500 4.355 4.208 4.513 . 0 0 "[ . 1 . 2]" 1
612 1 31 ASN HA 1 34 ARG H 4.740 . 4.740 3.584 3.294 4.046 . 0 0 "[ . 1 . 2]" 1
613 1 31 ASN HA 1 34 ARG QB 4.400 . 4.400 2.725 2.070 3.462 . 0 0 "[ . 1 . 2]" 1
614 1 31 ASN HA 1 34 ARG HD2 5.280 . 5.280 3.661 2.389 5.406 0.126 3 0 "[ . 1 . 2]" 1
615 1 31 ASN HA 1 34 ARG HD3 5.280 . 5.280 3.673 1.898 5.289 0.009 18 0 "[ . 1 . 2]" 1
616 1 31 ASN HA 1 34 ARG QG 5.500 . 5.500 3.717 2.489 5.489 . 0 0 "[ . 1 . 2]" 1
617 1 31 ASN HA 1 35 GLU H 5.500 . 5.500 4.292 3.851 4.875 . 0 0 "[ . 1 . 2]" 1
618 1 31 ASN QB 1 32 TYR H 4.290 . 4.290 2.914 2.691 3.015 . 0 0 "[ . 1 . 2]" 1
619 1 31 ASN QB 1 34 ARG QB 5.100 . 5.100 4.283 3.790 4.955 . 0 0 "[ . 1 . 2]" 1
620 1 31 ASN HB2 1 32 TYR H 5.110 . 5.110 3.035 2.758 3.155 . 0 0 "[ . 1 . 2]" 1
621 1 31 ASN HB3 1 32 TYR H 5.110 . 5.110 3.763 3.613 3.884 . 0 0 "[ . 1 . 2]" 1
622 1 32 TYR H 1 32 TYR HB2 4.060 . 4.060 2.690 2.604 2.838 . 0 0 "[ . 1 . 2]" 1
623 1 32 TYR H 1 32 TYR QB 3.450 . 3.450 2.276 2.252 2.305 . 0 0 "[ . 1 . 2]" 1
624 1 32 TYR H 1 32 TYR HB3 4.060 . 4.060 2.461 2.373 2.522 . 0 0 "[ . 1 . 2]" 1
625 1 32 TYR H 1 32 TYR QD 4.230 . 4.230 4.207 4.161 4.230 0.000 4 0 "[ . 1 . 2]" 1
626 1 32 TYR H 1 33 ALA H 3.820 . 3.820 2.594 2.532 2.763 . 0 0 "[ . 1 . 2]" 1
627 1 32 TYR H 1 33 ALA MB 4.990 . 4.990 4.265 4.194 4.412 . 0 0 "[ . 1 . 2]" 1
628 1 32 TYR HA 1 32 TYR QD 3.370 . 3.370 2.637 2.394 2.814 . 0 0 "[ . 1 . 2]" 1
629 1 32 TYR HA 1 35 GLU H 4.590 . 4.590 3.422 3.186 3.730 . 0 0 "[ . 1 . 2]" 1
630 1 32 TYR HA 1 35 GLU HB2 4.940 . 4.940 3.199 2.718 3.553 . 0 0 "[ . 1 . 2]" 1
631 1 32 TYR HA 1 35 GLU QB 4.320 . 4.320 2.676 2.273 3.392 . 0 0 "[ . 1 . 2]" 1
632 1 32 TYR HA 1 35 GLU HB3 4.940 . 4.940 2.938 2.415 4.953 0.013 18 0 "[ . 1 . 2]" 1
633 1 32 TYR HA 1 35 GLU QG 5.230 . 5.230 4.374 3.057 4.972 . 0 0 "[ . 1 . 2]" 1
634 1 32 TYR QB 1 33 ALA H 3.620 . 3.620 2.477 2.343 2.698 . 0 0 "[ . 1 . 2]" 1
635 1 32 TYR QB 1 33 ALA MB 5.200 . 5.200 3.798 3.630 3.957 . 0 0 "[ . 1 . 2]" 1
636 1 32 TYR QB 1 34 ARG H 5.340 . 5.340 4.678 4.449 4.830 . 0 0 "[ . 1 . 2]" 1
637 1 32 TYR QB 1 49 ALA MB 4.360 . 4.360 3.034 2.715 3.510 . 0 0 "[ . 1 . 2]" 1
638 1 32 TYR QB 1 53 LEU MD1 4.850 . 4.850 3.499 1.844 4.680 . 0 0 "[ . 1 . 2]" 1
639 1 32 TYR HB2 1 49 ALA MB 5.130 . 5.130 3.596 3.127 4.217 . 0 0 "[ . 1 . 2]" 1
640 1 32 TYR HB2 1 53 LEU MD1 5.500 . 5.500 3.688 1.855 5.067 . 0 0 "[ . 1 . 2]" 1
641 1 32 TYR HB2 1 53 LEU MD2 5.500 . 5.500 3.410 1.720 4.354 . 0 0 "[ . 1 . 2]" 1
642 1 32 TYR HB3 1 49 ALA MB 5.130 . 5.130 3.274 2.929 3.785 . 0 0 "[ . 1 . 2]" 1
643 1 32 TYR HB3 1 53 LEU MD1 5.500 . 5.500 4.424 2.558 5.569 0.069 19 0 "[ . 1 . 2]" 1
644 1 32 TYR HB3 1 53 LEU MD2 5.500 . 5.500 4.771 3.353 5.554 0.054 7 0 "[ . 1 . 2]" 1
645 1 32 TYR QD 1 33 ALA H 4.130 . 4.130 3.389 2.778 3.825 . 0 0 "[ . 1 . 2]" 1
646 1 32 TYR QD 1 33 ALA HA 4.400 . 4.400 3.517 3.287 3.784 . 0 0 "[ . 1 . 2]" 1
647 1 32 TYR QD 1 33 ALA MB 5.500 . 5.500 3.573 2.856 4.088 . 0 0 "[ . 1 . 2]" 1
648 1 32 TYR QD 1 35 GLU QB 4.830 . 4.830 3.822 3.116 4.435 . 0 0 "[ . 1 . 2]" 1
649 1 32 TYR QD 1 36 ILE MD 4.300 . 4.300 3.315 2.956 3.684 . 0 0 "[ . 1 . 2]" 1
650 1 32 TYR QD 1 36 ILE QG 5.340 . 5.340 4.113 3.814 4.395 . 0 0 "[ . 1 . 2]" 1
651 1 32 TYR QD 1 36 ILE MG 4.640 . 4.640 3.851 3.445 4.283 . 0 0 "[ . 1 . 2]" 1
652 1 32 TYR QD 1 45 VAL MG1 3.540 . 3.540 2.588 2.118 3.192 . 0 0 "[ . 1 . 2]" 1
653 1 32 TYR QD 1 48 LYS QB 5.340 . 5.340 4.382 3.725 4.776 . 0 0 "[ . 1 . 2]" 1
654 1 32 TYR QD 1 49 ALA H 5.330 . 5.330 4.253 3.871 4.582 . 0 0 "[ . 1 . 2]" 1
655 1 32 TYR QD 1 49 ALA HA 3.850 . 3.850 3.537 3.121 3.838 . 0 0 "[ . 1 . 2]" 1
656 1 32 TYR QD 1 49 ALA MB 3.350 . 3.350 2.599 2.374 3.064 . 0 0 "[ . 1 . 2]" 1
657 1 32 TYR QE 1 33 ALA HA 5.500 . 5.500 4.571 3.885 4.875 . 0 0 "[ . 1 . 2]" 1
658 1 32 TYR QE 1 36 ILE MD 3.380 . 3.380 2.599 2.256 2.997 . 0 0 "[ . 1 . 2]" 1
659 1 32 TYR QE 1 36 ILE MG 3.790 . 3.790 3.242 2.814 3.798 0.008 7 0 "[ . 1 . 2]" 1
660 1 32 TYR QE 1 45 VAL HA 4.460 . 4.460 3.463 2.605 4.312 . 0 0 "[ . 1 . 2]" 1
661 1 32 TYR QE 1 45 VAL MG1 3.850 . 3.850 2.803 2.309 3.521 . 0 0 "[ . 1 . 2]" 1
662 1 32 TYR QE 1 48 LYS HB2 3.820 . 3.820 2.757 2.076 3.888 0.068 4 0 "[ . 1 . 2]" 1
663 1 32 TYR QE 1 48 LYS QB 3.330 . 3.330 2.476 1.906 2.806 . 0 0 "[ . 1 . 2]" 1
664 1 32 TYR QE 1 48 LYS HB3 3.820 . 3.820 3.144 1.953 3.855 0.035 20 0 "[ . 1 . 2]" 1
665 1 32 TYR QE 1 48 LYS QG 4.690 . 4.690 4.339 3.086 4.720 0.030 5 0 "[ . 1 . 2]" 1
666 1 32 TYR QE 1 49 ALA H 4.720 . 4.720 3.388 3.028 3.700 . 0 0 "[ . 1 . 2]" 1
667 1 32 TYR QE 1 49 ALA HA 3.940 . 3.940 3.310 3.061 3.883 . 0 0 "[ . 1 . 2]" 1
668 1 32 TYR QE 1 49 ALA MB 4.610 . 4.610 3.246 2.973 3.723 . 0 0 "[ . 1 . 2]" 1
669 1 32 TYR QE 1 52 HIS HB2 5.440 . 5.440 2.986 2.160 3.750 . 0 0 "[ . 1 . 2]" 1
670 1 32 TYR QE 1 52 HIS QB 4.720 . 4.720 2.677 2.020 3.135 . 0 0 "[ . 1 . 2]" 1
671 1 32 TYR QE 1 52 HIS HB3 5.440 . 5.440 3.054 2.428 3.523 . 0 0 "[ . 1 . 2]" 1
672 1 33 ALA H 1 33 ALA MB 3.370 . 3.370 2.232 2.221 2.248 . 0 0 "[ . 1 . 2]" 1
673 1 33 ALA H 1 34 ARG H 3.990 . 3.990 2.654 2.564 2.753 . 0 0 "[ . 1 . 2]" 1
674 1 33 ALA H 1 41 VAL MG2 5.320 . 5.320 4.091 3.912 4.579 . 0 0 "[ . 1 . 2]" 1
675 1 33 ALA H 1 45 VAL MG1 5.500 . 5.500 3.976 3.616 4.397 . 0 0 "[ . 1 . 2]" 1
676 1 33 ALA HA 1 36 ILE H 4.820 . 4.820 3.383 3.225 3.595 . 0 0 "[ . 1 . 2]" 1
677 1 33 ALA HA 1 36 ILE MD 4.220 . 4.220 2.477 2.288 2.906 . 0 0 "[ . 1 . 2]" 1
678 1 33 ALA HA 1 36 ILE HG12 4.380 . 4.380 2.128 1.844 2.601 . 0 0 "[ . 1 . 2]" 1
679 1 33 ALA HA 1 36 ILE QG 3.800 . 3.800 2.080 1.826 2.502 . 0 0 "[ . 1 . 2]" 1
680 1 33 ALA HA 1 36 ILE HG13 4.380 . 4.380 2.980 2.720 3.253 . 0 0 "[ . 1 . 2]" 1
681 1 33 ALA HA 1 36 ILE MG 5.180 . 5.180 3.997 3.640 4.473 . 0 0 "[ . 1 . 2]" 1
682 1 33 ALA HA 1 38 GLU H 4.760 . 4.760 3.598 3.332 3.951 . 0 0 "[ . 1 . 2]" 1
683 1 33 ALA HA 1 38 GLU HB2 5.020 . 5.020 3.321 2.442 4.784 . 0 0 "[ . 1 . 2]" 1
684 1 33 ALA HA 1 38 GLU HB3 5.100 . 5.100 4.094 2.644 4.961 . 0 0 "[ . 1 . 2]" 1
685 1 33 ALA HA 1 38 GLU HG2 5.500 . 5.500 4.601 3.786 5.535 0.035 10 0 "[ . 1 . 2]" 1
686 1 33 ALA HA 1 38 GLU HG3 5.500 . 5.500 4.558 3.630 5.336 . 0 0 "[ . 1 . 2]" 1
687 1 33 ALA MB 1 34 ARG H 3.850 . 3.850 2.587 2.419 2.728 . 0 0 "[ . 1 . 2]" 1
688 1 33 ALA MB 1 35 GLU H 5.500 . 5.500 4.375 4.176 4.471 . 0 0 "[ . 1 . 2]" 1
689 1 33 ALA MB 1 36 ILE H 5.500 . 5.500 4.577 4.394 4.721 . 0 0 "[ . 1 . 2]" 1
690 1 33 ALA MB 1 36 ILE QG 4.230 . 4.230 3.455 3.184 3.839 . 0 0 "[ . 1 . 2]" 1
691 1 33 ALA MB 1 37 GLY H 5.500 . 5.500 4.745 4.429 5.145 . 0 0 "[ . 1 . 2]" 1
692 1 33 ALA MB 1 38 GLU HB3 4.620 . 4.620 3.070 1.567 4.197 . 0 0 "[ . 1 . 2]" 1
693 1 33 ALA MB 1 39 PRO HA 5.140 . 5.140 4.151 3.592 4.487 . 0 0 "[ . 1 . 2]" 1
694 1 33 ALA MB 1 41 VAL H 5.500 . 5.500 4.644 4.382 5.117 . 0 0 "[ . 1 . 2]" 1
695 1 33 ALA MB 1 41 VAL HA 5.190 . 5.190 3.614 3.299 4.184 . 0 0 "[ . 1 . 2]" 1
696 1 33 ALA MB 1 41 VAL MG2 3.630 . 3.630 2.167 1.956 2.540 . 0 0 "[ . 1 . 2]" 1
697 1 33 ALA MB 1 45 VAL MG1 3.720 . 3.720 2.313 2.013 2.900 . 0 0 "[ . 1 . 2]" 1
698 1 34 ARG H 1 34 ARG QB 3.240 . 3.240 2.346 2.043 2.587 . 0 0 "[ . 1 . 2]" 1
699 1 34 ARG H 1 34 ARG QD 5.340 . 5.340 3.835 3.067 4.617 . 0 0 "[ . 1 . 2]" 1
700 1 34 ARG H 1 34 ARG QG 4.390 . 4.390 2.783 1.817 4.038 . 0 0 "[ . 1 . 2]" 1
701 1 34 ARG H 1 36 ILE H 5.070 . 5.070 4.254 4.141 4.441 . 0 0 "[ . 1 . 2]" 1
702 1 34 ARG H 1 36 ILE QG 5.340 . 5.340 4.435 4.323 4.711 . 0 0 "[ . 1 . 2]" 1
703 1 34 ARG HA 1 38 GLU H 5.500 . 5.500 3.623 3.229 4.496 . 0 0 "[ . 1 . 2]" 1
704 1 34 ARG QG 1 35 GLU HA 5.500 . 5.500 5.223 3.483 5.696 0.196 15 0 "[ . 1 . 2]" 1
705 1 35 GLU H 1 35 GLU HB2 3.780 . 3.780 2.520 2.356 2.610 . 0 0 "[ . 1 . 2]" 1
706 1 35 GLU H 1 35 GLU QB 3.320 . 3.320 2.249 2.197 2.423 . 0 0 "[ . 1 . 2]" 1
707 1 35 GLU H 1 35 GLU HB3 3.780 . 3.780 2.573 2.433 3.604 . 0 0 "[ . 1 . 2]" 1
708 1 35 GLU H 1 35 GLU HG2 4.940 . 4.940 4.360 2.328 4.606 . 0 0 "[ . 1 . 2]" 1
709 1 35 GLU H 1 35 GLU QG 4.180 . 4.180 3.895 2.305 4.047 . 0 0 "[ . 1 . 2]" 1
710 1 35 GLU H 1 35 GLU HG3 4.940 . 4.940 4.431 3.704 4.544 . 0 0 "[ . 1 . 2]" 1
711 1 35 GLU H 1 36 ILE H 3.840 . 3.840 2.589 2.483 2.766 . 0 0 "[ . 1 . 2]" 1
712 1 35 GLU H 1 36 ILE MG 5.500 . 5.500 4.335 4.163 4.560 . 0 0 "[ . 1 . 2]" 1
713 1 35 GLU HA 1 36 ILE MG 5.470 . 5.470 4.784 4.648 4.915 . 0 0 "[ . 1 . 2]" 1
714 1 35 GLU QB 1 36 ILE H 3.980 . 3.980 2.597 2.411 2.852 . 0 0 "[ . 1 . 2]" 1
715 1 35 GLU QB 1 36 ILE QG 4.870 . 4.870 3.757 3.563 4.017 . 0 0 "[ . 1 . 2]" 1
716 1 35 GLU QB 1 36 ILE MG 4.190 . 4.190 2.915 2.698 3.110 . 0 0 "[ . 1 . 2]" 1
717 1 35 GLU HB2 1 36 ILE H 4.550 . 4.550 3.826 2.932 3.999 . 0 0 "[ . 1 . 2]" 1
718 1 35 GLU HB3 1 36 ILE H 4.550 . 4.550 2.689 2.442 3.898 . 0 0 "[ . 1 . 2]" 1
719 1 36 ILE H 1 36 ILE MD 4.580 . 4.580 3.636 3.559 3.712 . 0 0 "[ . 1 . 2]" 1
720 1 36 ILE H 1 36 ILE HG12 4.360 . 4.360 1.961 1.852 2.092 . 0 0 "[ . 1 . 2]" 1
721 1 36 ILE H 1 36 ILE QG 3.590 . 3.590 1.936 1.833 2.063 . 0 0 "[ . 1 . 2]" 1
722 1 36 ILE H 1 36 ILE HG13 4.360 . 4.360 3.000 2.891 3.132 . 0 0 "[ . 1 . 2]" 1
723 1 36 ILE H 1 36 ILE MG 3.880 . 3.880 2.516 2.332 2.727 . 0 0 "[ . 1 . 2]" 1
724 1 36 ILE H 1 38 GLU H 5.300 . 5.300 3.794 3.491 4.093 . 0 0 "[ . 1 . 2]" 1
725 1 36 ILE HA 1 36 ILE MG 3.550 . 3.550 2.307 2.265 2.358 . 0 0 "[ . 1 . 2]" 1
726 1 36 ILE HB 1 36 ILE MD 3.520 . 3.520 2.443 2.414 2.474 . 0 0 "[ . 1 . 2]" 1
727 1 36 ILE HB 1 37 GLY H 5.150 . 5.150 4.164 4.016 4.331 . 0 0 "[ . 1 . 2]" 1
728 1 36 ILE MD 1 36 ILE MG 3.480 . 3.480 1.912 1.883 1.948 . 0 0 "[ . 1 . 2]" 1
729 1 36 ILE MD 1 38 GLU H 4.900 . 4.900 3.934 3.552 4.205 . 0 0 "[ . 1 . 2]" 1
730 1 36 ILE MD 1 38 GLU HA 5.500 . 5.500 4.962 4.636 5.264 . 0 0 "[ . 1 . 2]" 1
731 1 36 ILE MD 1 38 GLU HB2 5.350 . 5.350 2.906 2.445 3.248 . 0 0 "[ . 1 . 2]" 1
732 1 36 ILE MD 1 38 GLU QG 3.700 . 3.700 2.580 2.169 3.332 . 0 0 "[ . 1 . 2]" 1
733 1 36 ILE MD 1 48 LYS HD2 5.500 . 5.500 4.007 2.773 5.555 0.055 20 0 "[ . 1 . 2]" 1
734 1 36 ILE MD 1 48 LYS HD3 5.500 . 5.500 4.205 2.820 5.533 0.033 7 0 "[ . 1 . 2]" 1
735 1 36 ILE MD 1 48 LYS QE 5.130 . 5.130 4.159 2.612 5.223 0.093 5 0 "[ . 1 . 2]" 1
736 1 36 ILE QG 1 37 GLY H 4.780 . 4.780 2.822 2.551 3.238 . 0 0 "[ . 1 . 2]" 1
737 1 36 ILE QG 1 38 GLU H 3.980 . 3.980 2.485 1.972 2.814 . 0 0 "[ . 1 . 2]" 1
738 1 36 ILE QG 1 38 GLU QG 4.390 . 4.390 2.603 1.793 4.108 . 0 0 "[ . 1 . 2]" 1
739 1 36 ILE MG 1 37 GLY H 5.500 . 5.500 4.177 4.067 4.288 . 0 0 "[ . 1 . 2]" 1
740 1 37 GLY H 1 38 GLU H 3.710 . 3.710 2.385 2.128 2.749 . 0 0 "[ . 1 . 2]" 1
741 1 37 GLY H 1 38 GLU HB2 5.500 . 5.500 4.619 4.323 4.950 . 0 0 "[ . 1 . 2]" 1
742 1 38 GLU H 1 38 GLU HB2 3.650 . 3.650 2.676 2.435 3.201 . 0 0 "[ . 1 . 2]" 1
743 1 38 GLU H 1 38 GLU HB3 4.110 . 4.110 3.377 2.574 3.814 . 0 0 "[ . 1 . 2]" 1
744 1 38 GLU H 1 38 GLU QG 4.050 . 4.050 3.124 2.110 4.135 0.085 8 0 "[ . 1 . 2]" 1
745 1 38 GLU HA 1 39 PRO HD2 3.670 . 3.670 2.426 2.083 2.723 . 0 0 "[ . 1 . 2]" 1
746 1 38 GLU HA 1 39 PRO HD3 3.580 . 3.580 2.045 1.743 2.384 . 0 0 "[ . 1 . 2]" 1
747 1 38 GLU HA 1 40 VAL H 4.490 . 4.490 3.476 3.279 3.687 . 0 0 "[ . 1 . 2]" 1
748 1 38 GLU HB2 1 40 VAL H 4.970 . 4.970 4.360 3.905 4.982 0.012 17 0 "[ . 1 . 2]" 1
749 1 38 GLU HB2 1 45 VAL MG1 5.500 . 5.500 3.597 2.796 4.898 . 0 0 "[ . 1 . 2]" 1
750 1 38 GLU HB3 1 40 VAL H 5.280 . 5.280 3.347 2.592 4.408 . 0 0 "[ . 1 . 2]" 1
751 1 38 GLU QG 1 40 VAL H 5.340 . 5.340 4.067 2.044 5.131 . 0 0 "[ . 1 . 2]" 1
752 1 38 GLU QG 1 45 VAL MG1 5.340 . 5.340 3.395 2.460 4.382 . 0 0 "[ . 1 . 2]" 1
753 1 38 GLU QG 1 45 VAL MG2 4.270 . 4.270 2.512 1.661 4.236 . 0 0 "[ . 1 . 2]" 1
754 1 38 GLU HG2 1 45 VAL MG2 4.880 . 4.880 3.449 1.671 4.817 . 0 0 "[ . 1 . 2]" 1
755 1 38 GLU HG3 1 45 VAL MG2 4.880 . 4.880 2.905 1.920 4.775 . 0 0 "[ . 1 . 2]" 1
756 1 39 PRO QB 1 40 VAL MG2 4.800 . 4.800 2.822 2.415 3.131 . 0 0 "[ . 1 . 2]" 1
757 1 39 PRO HD2 1 40 VAL H 4.200 . 4.200 2.383 2.079 2.606 . 0 0 "[ . 1 . 2]" 1
758 1 39 PRO HD3 1 40 VAL H 4.780 . 4.780 3.647 3.406 3.801 . 0 0 "[ . 1 . 2]" 1
759 1 39 PRO QG 1 40 VAL H 4.500 . 4.500 3.379 2.579 4.055 . 0 0 "[ . 1 . 2]" 1
760 1 39 PRO QG 1 40 VAL MG2 3.900 . 3.900 2.905 2.030 3.785 . 0 0 "[ . 1 . 2]" 1
761 1 39 PRO HG2 1 40 VAL H 5.240 . 5.240 3.558 2.610 4.426 . 0 0 "[ . 1 . 2]" 1
762 1 39 PRO HG3 1 40 VAL H 5.240 . 5.240 4.385 3.988 4.707 . 0 0 "[ . 1 . 2]" 1
763 1 40 VAL H 1 40 VAL HB 3.860 . 3.860 2.661 2.595 2.727 . 0 0 "[ . 1 . 2]" 1
764 1 40 VAL H 1 40 VAL MG2 4.200 . 4.200 2.630 2.495 2.728 . 0 0 "[ . 1 . 2]" 1
765 1 40 VAL H 1 41 VAL H 5.500 . 5.500 4.280 4.144 4.363 . 0 0 "[ . 1 . 2]" 1
766 1 40 VAL H 1 41 VAL MG2 5.500 . 5.500 4.588 4.383 4.850 . 0 0 "[ . 1 . 2]" 1
767 1 40 VAL H 1 45 VAL MG2 5.260 . 5.260 4.604 4.354 4.919 . 0 0 "[ . 1 . 2]" 1
768 1 40 VAL HA 1 40 VAL MG2 3.660 . 3.660 2.422 2.390 2.459 . 0 0 "[ . 1 . 2]" 1
769 1 40 VAL HA 1 41 VAL H 3.360 . 3.360 2.146 2.129 2.165 . 0 0 "[ . 1 . 2]" 1
770 1 40 VAL HA 1 41 VAL HB 5.180 . 5.180 4.681 4.621 4.724 . 0 0 "[ . 1 . 2]" 1
771 1 40 VAL HA 1 41 VAL MG2 5.330 . 5.330 3.633 3.521 3.834 . 0 0 "[ . 1 . 2]" 1
772 1 40 VAL HA 1 42 THR MG 5.380 . 5.380 4.757 4.531 5.064 . 0 0 "[ . 1 . 2]" 1
773 1 40 VAL HB 1 41 VAL H 5.020 . 5.020 4.230 4.118 4.352 . 0 0 "[ . 1 . 2]" 1
774 1 40 VAL HB 1 42 THR MG 4.430 . 4.430 3.373 3.065 3.747 . 0 0 "[ . 1 . 2]" 1
775 1 40 VAL MG1 1 41 VAL H 3.940 . 3.940 2.839 2.647 3.151 . 0 0 "[ . 1 . 2]" 1
776 1 40 VAL MG1 1 42 THR H 5.490 . 5.490 3.701 3.463 3.908 . 0 0 "[ . 1 . 2]" 1
777 1 40 VAL MG1 1 42 THR MG 3.610 . 3.610 2.211 1.932 2.624 . 0 0 "[ . 1 . 2]" 1
778 1 40 VAL MG2 1 41 VAL H 4.990 . 4.990 4.120 4.077 4.237 . 0 0 "[ . 1 . 2]" 1
779 1 40 VAL MG2 1 42 THR MG 4.550 . 4.550 4.258 4.045 4.557 0.007 7 0 "[ . 1 . 2]" 1
780 1 41 VAL H 1 41 VAL HB 3.900 . 3.900 2.565 2.495 2.624 . 0 0 "[ . 1 . 2]" 1
781 1 41 VAL H 1 41 VAL MG2 3.830 . 3.830 2.328 2.139 2.550 . 0 0 "[ . 1 . 2]" 1
782 1 41 VAL H 1 42 THR H 5.500 . 5.500 4.190 4.068 4.296 . 0 0 "[ . 1 . 2]" 1
783 1 41 VAL HA 1 41 VAL MG1 3.690 . 3.690 2.376 2.345 2.429 . 0 0 "[ . 1 . 2]" 1
784 1 41 VAL HA 1 41 VAL MG2 3.740 . 3.740 2.418 2.363 2.452 . 0 0 "[ . 1 . 2]" 1
785 1 41 VAL HA 1 42 THR H 3.300 . 3.300 2.160 2.125 2.207 . 0 0 "[ . 1 . 2]" 1
786 1 41 VAL HA 1 42 THR HA 5.500 . 5.500 4.420 4.401 4.447 . 0 0 "[ . 1 . 2]" 1
787 1 41 VAL HA 1 42 THR MG 5.000 . 5.000 4.023 3.856 4.263 . 0 0 "[ . 1 . 2]" 1
788 1 41 VAL HA 1 45 VAL H 5.500 . 5.500 4.694 4.324 4.978 . 0 0 "[ . 1 . 2]" 1
789 1 41 VAL HA 1 45 VAL HB 4.110 . 4.110 2.601 2.236 2.867 . 0 0 "[ . 1 . 2]" 1
790 1 41 VAL HA 1 45 VAL MG1 4.090 . 4.090 2.611 2.268 2.881 . 0 0 "[ . 1 . 2]" 1
791 1 41 VAL HA 1 45 VAL MG2 4.270 . 4.270 2.517 2.058 2.995 . 0 0 "[ . 1 . 2]" 1
792 1 41 VAL HB 1 42 THR H 5.500 . 5.500 4.388 4.331 4.427 . 0 0 "[ . 1 . 2]" 1
793 1 41 VAL MG1 1 42 THR H 4.440 . 4.440 3.241 3.066 3.388 . 0 0 "[ . 1 . 2]" 1
794 1 41 VAL MG1 1 42 THR HA 5.290 . 5.290 3.987 3.786 4.159 . 0 0 "[ . 1 . 2]" 1
795 1 41 VAL MG1 1 45 VAL H 5.500 . 5.500 4.428 4.060 4.691 . 0 0 "[ . 1 . 2]" 1
796 1 41 VAL MG1 1 45 VAL HB 4.240 . 4.240 2.477 2.067 2.775 . 0 0 "[ . 1 . 2]" 1
797 1 41 VAL MG1 1 45 VAL MG1 3.940 . 3.940 2.382 2.146 2.597 . 0 0 "[ . 1 . 2]" 1
798 1 41 VAL MG1 1 45 VAL MG2 5.090 . 5.090 3.568 3.148 3.882 . 0 0 "[ . 1 . 2]" 1
799 1 41 VAL MG1 1 46 PHE H 4.420 . 4.420 3.280 3.031 3.560 . 0 0 "[ . 1 . 2]" 1
800 1 41 VAL MG1 1 46 PHE HA 4.630 . 4.630 3.508 3.017 4.048 . 0 0 "[ . 1 . 2]" 1
801 1 41 VAL MG1 1 46 PHE HB2 4.190 . 4.190 2.850 2.191 3.482 . 0 0 "[ . 1 . 2]" 1
802 1 41 VAL MG1 1 46 PHE HB3 5.010 . 5.010 4.229 3.621 4.790 . 0 0 "[ . 1 . 2]" 1
803 1 41 VAL MG1 1 46 PHE QD 4.530 . 4.530 3.219 2.796 4.017 . 0 0 "[ . 1 . 2]" 1
804 1 41 VAL MG2 1 42 THR H 5.350 . 5.350 4.221 4.142 4.278 . 0 0 "[ . 1 . 2]" 1
805 1 41 VAL MG2 1 45 VAL MG1 4.010 . 4.010 2.720 2.285 3.081 . 0 0 "[ . 1 . 2]" 1
806 1 41 VAL MG2 1 45 VAL MG2 5.010 . 5.010 3.881 3.551 4.333 . 0 0 "[ . 1 . 2]" 1
807 1 42 THR H 1 42 THR MG 3.850 . 3.850 2.625 2.421 2.844 . 0 0 "[ . 1 . 2]" 1
808 1 42 THR H 1 43 ALA H 5.500 . 5.500 4.490 4.441 4.560 . 0 0 "[ . 1 . 2]" 1
809 1 42 THR H 1 45 VAL H 4.370 . 4.370 3.153 2.810 3.532 . 0 0 "[ . 1 . 2]" 1
810 1 42 THR H 1 45 VAL HA 5.500 . 5.500 4.801 4.534 5.043 . 0 0 "[ . 1 . 2]" 1
811 1 42 THR H 1 45 VAL HB 3.430 . 3.430 2.314 2.052 2.676 . 0 0 "[ . 1 . 2]" 1
812 1 42 THR H 1 45 VAL MG1 4.500 . 4.500 3.549 3.321 3.692 . 0 0 "[ . 1 . 2]" 1
813 1 42 THR H 1 45 VAL MG2 3.700 . 3.700 2.152 1.856 2.384 . 0 0 "[ . 1 . 2]" 1
814 1 42 THR H 1 46 PHE H 5.000 . 5.000 4.112 3.838 4.544 . 0 0 "[ . 1 . 2]" 1
815 1 42 THR HA 1 45 VAL H 5.290 . 5.290 4.608 4.458 4.799 . 0 0 "[ . 1 . 2]" 1
816 1 42 THR HA 1 45 VAL MG2 5.340 . 5.340 4.425 4.163 4.586 . 0 0 "[ . 1 . 2]" 1
817 1 42 THR HB 1 43 ALA H 3.260 . 3.260 2.075 1.893 2.266 . 0 0 "[ . 1 . 2]" 1
818 1 42 THR HB 1 44 ASP H 3.550 . 3.550 2.723 2.534 3.137 . 0 0 "[ . 1 . 2]" 1
819 1 42 THR HB 1 45 VAL H 5.500 . 5.500 3.868 3.691 4.101 . 0 0 "[ . 1 . 2]" 1
820 1 42 THR HB 1 45 VAL MG2 5.160 . 5.160 4.103 3.963 4.312 . 0 0 "[ . 1 . 2]" 1
821 1 42 THR HG1 1 44 ASP H 5.100 . 5.100 3.593 2.411 4.553 . 0 0 "[ . 1 . 2]" 1
822 1 42 THR HG1 1 45 VAL H 4.940 . 4.940 3.149 2.715 3.691 . 0 0 "[ . 1 . 2]" 1
823 1 42 THR HG1 1 45 VAL MG2 5.130 . 5.130 2.416 2.118 2.982 . 0 0 "[ . 1 . 2]" 1
824 1 42 THR MG 1 43 ALA H 4.580 . 4.580 3.507 3.346 3.680 . 0 0 "[ . 1 . 2]" 1
825 1 42 THR MG 1 44 ASP H 5.450 . 5.450 4.192 4.050 4.624 . 0 0 "[ . 1 . 2]" 1
826 1 42 THR MG 1 45 VAL H 5.500 . 5.500 4.306 3.955 4.687 . 0 0 "[ . 1 . 2]" 1
827 1 42 THR MG 1 45 VAL HB 5.500 . 5.500 4.576 4.146 4.912 . 0 0 "[ . 1 . 2]" 1
828 1 43 ALA H 1 43 ALA MB 3.280 . 3.280 2.235 2.218 2.251 . 0 0 "[ . 1 . 2]" 1
829 1 43 ALA H 1 44 ASP H 4.070 . 4.070 2.656 2.545 2.864 . 0 0 "[ . 1 . 2]" 1
830 1 43 ALA H 1 45 VAL H 5.500 . 5.500 4.300 4.115 4.448 . 0 0 "[ . 1 . 2]" 1
831 1 43 ALA HA 1 46 PHE H 5.010 . 5.010 3.501 3.317 3.728 . 0 0 "[ . 1 . 2]" 1
832 1 43 ALA HA 1 46 PHE HB2 4.660 . 4.660 3.530 2.983 4.135 . 0 0 "[ . 1 . 2]" 1
833 1 43 ALA HA 1 46 PHE HB3 4.100 . 4.100 2.841 2.497 3.135 . 0 0 "[ . 1 . 2]" 1
834 1 43 ALA HA 1 47 ARG H 5.500 . 5.500 4.001 3.636 4.357 . 0 0 "[ . 1 . 2]" 1
835 1 43 ALA MB 1 44 ASP H 3.790 . 3.790 2.617 2.415 2.711 . 0 0 "[ . 1 . 2]" 1
836 1 43 ALA MB 1 46 PHE HB3 5.500 . 5.500 4.181 3.889 4.577 . 0 0 "[ . 1 . 2]" 1
837 1 43 ALA MB 1 47 ARG QD 5.500 . 5.500 4.774 4.118 5.541 0.041 12 0 "[ . 1 . 2]" 1
838 1 44 ASP H 1 44 ASP HB2 4.080 . 4.080 2.565 2.332 2.822 . 0 0 "[ . 1 . 2]" 1
839 1 44 ASP H 1 44 ASP QB 3.410 . 3.410 2.308 2.155 2.720 . 0 0 "[ . 1 . 2]" 1
840 1 44 ASP H 1 44 ASP HB3 4.080 . 4.080 2.772 2.238 3.603 . 0 0 "[ . 1 . 2]" 1
841 1 44 ASP H 1 45 VAL H 3.960 . 3.960 2.688 2.549 2.831 . 0 0 "[ . 1 . 2]" 1
842 1 44 ASP H 1 45 VAL HB 5.500 . 5.500 4.897 4.738 5.041 . 0 0 "[ . 1 . 2]" 1
843 1 44 ASP H 1 45 VAL MG2 5.080 . 5.080 4.079 3.864 4.259 . 0 0 "[ . 1 . 2]" 1
844 1 44 ASP HA 1 47 ARG H 4.650 . 4.650 3.544 3.285 3.880 . 0 0 "[ . 1 . 2]" 1
845 1 44 ASP HA 1 47 ARG QB 4.100 . 4.100 2.706 2.104 3.153 . 0 0 "[ . 1 . 2]" 1
846 1 44 ASP HA 1 47 ARG QD 4.720 . 4.720 3.700 2.109 4.838 0.118 17 0 "[ . 1 . 2]" 1
847 1 44 ASP HA 1 48 LYS H 5.500 . 5.500 4.140 3.890 4.556 . 0 0 "[ . 1 . 2]" 1
848 1 44 ASP QB 1 45 VAL MG2 5.270 . 5.270 3.071 2.810 3.267 . 0 0 "[ . 1 . 2]" 1
849 1 44 ASP HB2 1 45 VAL H 4.850 . 4.850 3.483 2.256 3.913 . 0 0 "[ . 1 . 2]" 1
850 1 44 ASP HB3 1 45 VAL H 4.850 . 4.850 2.763 2.294 3.892 . 0 0 "[ . 1 . 2]" 1
851 1 45 VAL H 1 45 VAL HB 3.600 . 3.600 2.553 2.502 2.615 . 0 0 "[ . 1 . 2]" 1
852 1 45 VAL H 1 45 VAL MG1 4.670 . 4.670 3.770 3.760 3.777 . 0 0 "[ . 1 . 2]" 1
853 1 45 VAL H 1 45 VAL MG2 3.550 . 3.550 2.047 1.917 2.165 . 0 0 "[ . 1 . 2]" 1
854 1 45 VAL H 1 46 PHE H 3.840 . 3.840 2.691 2.618 2.793 . 0 0 "[ . 1 . 2]" 1
855 1 45 VAL H 1 46 PHE HB3 5.500 . 5.500 5.014 4.823 5.142 . 0 0 "[ . 1 . 2]" 1
856 1 45 VAL H 1 47 ARG H 5.280 . 5.280 4.087 3.897 4.322 . 0 0 "[ . 1 . 2]" 1
857 1 45 VAL HA 1 45 VAL MG1 3.720 . 3.720 2.408 2.375 2.448 . 0 0 "[ . 1 . 2]" 1
858 1 45 VAL HA 1 45 VAL MG2 3.590 . 3.590 2.387 2.355 2.439 . 0 0 "[ . 1 . 2]" 1
859 1 45 VAL HA 1 48 LYS H 4.680 . 4.680 3.523 3.257 3.824 . 0 0 "[ . 1 . 2]" 1
860 1 45 VAL HA 1 48 LYS QB 4.040 . 4.040 2.840 2.493 3.214 . 0 0 "[ . 1 . 2]" 1
861 1 45 VAL HA 1 48 LYS QD 5.060 . 5.060 3.236 1.737 4.214 . 0 0 "[ . 1 . 2]" 1
862 1 45 VAL HA 1 49 ALA H 5.390 . 5.390 4.158 3.901 4.670 . 0 0 "[ . 1 . 2]" 1
863 1 45 VAL HB 1 46 PHE H 3.900 . 3.900 2.576 2.473 2.736 . 0 0 "[ . 1 . 2]" 1
864 1 45 VAL MG1 1 46 PHE H 4.690 . 4.690 3.435 3.300 3.661 . 0 0 "[ . 1 . 2]" 1
865 1 45 VAL MG1 1 46 PHE HA 5.310 . 5.310 3.451 3.353 3.688 . 0 0 "[ . 1 . 2]" 1
866 1 45 VAL MG1 1 48 LYS H 5.500 . 5.500 4.747 4.548 5.014 . 0 0 "[ . 1 . 2]" 1
867 1 45 VAL MG1 1 49 ALA H 5.410 . 5.410 4.066 3.750 4.339 . 0 0 "[ . 1 . 2]" 1
868 1 45 VAL MG2 1 46 PHE H 4.910 . 4.910 3.796 3.740 3.874 . 0 0 "[ . 1 . 2]" 1
869 1 45 VAL MG2 1 47 ARG H 5.500 . 5.500 5.334 5.231 5.458 . 0 0 "[ . 1 . 2]" 1
870 1 46 PHE H 1 46 PHE HB2 3.580 . 3.580 2.448 2.305 2.614 . 0 0 "[ . 1 . 2]" 1
871 1 46 PHE H 1 46 PHE HB3 3.620 . 3.620 2.624 2.471 2.799 . 0 0 "[ . 1 . 2]" 1
872 1 46 PHE H 1 46 PHE QD 5.130 . 5.130 4.162 4.069 4.195 . 0 0 "[ . 1 . 2]" 1
873 1 46 PHE HA 1 46 PHE QD 4.000 . 4.000 2.702 2.116 3.079 . 0 0 "[ . 1 . 2]" 1
874 1 46 PHE HA 1 46 PHE QE 4.760 . 4.760 4.542 4.307 4.674 . 0 0 "[ . 1 . 2]" 1
875 1 46 PHE HA 1 49 ALA H 5.500 . 5.500 3.393 3.196 3.573 . 0 0 "[ . 1 . 2]" 1
876 1 46 PHE HA 1 49 ALA MB 3.600 . 3.600 2.515 2.217 3.006 . 0 0 "[ . 1 . 2]" 1
877 1 46 PHE HB2 1 47 ARG H 4.530 . 4.530 3.846 3.635 3.983 . 0 0 "[ . 1 . 2]" 1
878 1 46 PHE HB3 1 47 ARG H 3.830 . 3.830 2.673 2.517 2.828 . 0 0 "[ . 1 . 2]" 1
879 1 46 PHE QD 1 47 ARG H 4.870 . 4.870 3.869 3.597 4.244 . 0 0 "[ . 1 . 2]" 1
880 1 46 PHE QD 1 47 ARG HA 5.030 . 5.030 3.763 3.244 4.559 . 0 0 "[ . 1 . 2]" 1
881 1 46 PHE QD 1 49 ALA MB 5.500 . 5.500 3.772 2.799 4.392 . 0 0 "[ . 1 . 2]" 1
882 1 46 PHE QD 1 50 LYS QD 5.500 . 5.500 3.786 2.625 4.685 . 0 0 "[ . 1 . 2]" 1
883 1 46 PHE QD 1 50 LYS QE 5.500 . 5.500 4.295 2.222 5.567 0.067 1 0 "[ . 1 . 2]" 1
884 1 46 PHE QE 1 49 ALA MB 5.500 . 5.500 4.560 3.511 5.248 . 0 0 "[ . 1 . 2]" 1
885 1 46 PHE QE 1 50 LYS QD 4.810 . 4.810 3.253 2.091 4.385 . 0 0 "[ . 1 . 2]" 1
886 1 46 PHE QE 1 50 LYS QE 5.500 . 5.500 3.345 1.693 4.647 . 0 0 "[ . 1 . 2]" 1
887 1 47 ARG H 1 47 ARG QB 3.450 . 3.450 2.266 2.163 2.487 . 0 0 "[ . 1 . 2]" 1
888 1 47 ARG H 1 47 ARG QG 4.520 . 4.520 3.654 2.137 4.040 . 0 0 "[ . 1 . 2]" 1
889 1 47 ARG H 1 48 LYS H 3.760 . 3.760 2.697 2.499 2.808 . 0 0 "[ . 1 . 2]" 1
890 1 47 ARG H 1 49 ALA MB 5.320 . 5.320 4.630 4.447 4.962 . 0 0 "[ . 1 . 2]" 1
891 1 47 ARG HA 1 47 ARG QG 3.680 . 3.680 2.479 2.174 2.861 . 0 0 "[ . 1 . 2]" 1
892 1 47 ARG HA 1 49 ALA MB 5.500 . 5.500 4.759 4.481 5.149 . 0 0 "[ . 1 . 2]" 1
893 1 47 ARG HA 1 50 LYS H 5.210 . 5.210 3.614 3.028 4.341 . 0 0 "[ . 1 . 2]" 1
894 1 47 ARG HA 1 50 LYS QG 5.340 . 5.340 3.421 2.107 5.318 . 0 0 "[ . 1 . 2]" 1
895 1 47 ARG QB 1 48 LYS H 4.040 . 4.040 2.452 2.265 2.798 . 0 0 "[ . 1 . 2]" 1
896 1 48 LYS H 1 48 LYS QD 5.300 . 5.300 3.953 3.429 4.530 . 0 0 "[ . 1 . 2]" 1
897 1 48 LYS H 1 48 LYS HG2 4.650 . 4.650 3.586 3.064 4.586 . 0 0 "[ . 1 . 2]" 1
898 1 48 LYS H 1 48 LYS QG 4.060 . 4.060 2.447 2.046 3.920 . 0 0 "[ . 1 . 2]" 1
899 1 48 LYS H 1 48 LYS HG3 4.650 . 4.650 2.512 2.060 4.256 . 0 0 "[ . 1 . 2]" 1
900 1 48 LYS H 1 49 ALA H 3.700 . 3.700 2.624 2.469 2.807 . 0 0 "[ . 1 . 2]" 1
901 1 48 LYS H 1 49 ALA MB 5.500 . 5.500 4.291 4.125 4.448 . 0 0 "[ . 1 . 2]" 1
902 1 48 LYS H 1 50 LYS H 5.500 . 5.500 4.297 4.140 4.632 . 0 0 "[ . 1 . 2]" 1
903 1 48 LYS HA 1 48 LYS QE 5.500 . 5.500 4.430 3.422 5.049 . 0 0 "[ . 1 . 2]" 1
904 1 48 LYS HA 1 50 LYS H 5.250 . 5.250 4.393 3.903 4.837 . 0 0 "[ . 1 . 2]" 1
905 1 48 LYS HA 1 51 GLU H 5.500 . 5.500 3.537 3.017 4.012 . 0 0 "[ . 1 . 2]" 1
906 1 48 LYS HA 1 51 GLU QB 4.660 . 4.660 3.004 2.306 3.835 . 0 0 "[ . 1 . 2]" 1
907 1 48 LYS QB 1 48 LYS QD 3.290 . 3.290 2.209 2.089 2.399 . 0 0 "[ . 1 . 2]" 1
908 1 48 LYS QB 1 48 LYS QE 4.240 . 4.240 2.866 1.793 3.671 . 0 0 "[ . 1 . 2]" 1
909 1 48 LYS QB 1 49 ALA H 3.840 . 3.840 2.662 2.397 2.794 . 0 0 "[ . 1 . 2]" 1
910 1 48 LYS HB2 1 49 ALA H 4.580 . 4.580 2.822 2.460 3.692 . 0 0 "[ . 1 . 2]" 1
911 1 48 LYS HB3 1 49 ALA H 4.580 . 4.580 3.590 2.738 3.895 . 0 0 "[ . 1 . 2]" 1
912 1 49 ALA H 1 49 ALA MB 3.420 . 3.420 2.232 2.213 2.250 . 0 0 "[ . 1 . 2]" 1
913 1 49 ALA H 1 50 LYS H 3.850 . 3.850 2.738 2.616 2.962 . 0 0 "[ . 1 . 2]" 1
914 1 49 ALA H 1 51 GLU H 5.500 . 5.500 4.220 3.960 4.493 . 0 0 "[ . 1 . 2]" 1
915 1 49 ALA HA 1 50 LYS HA 5.500 . 5.500 4.797 4.717 4.884 . 0 0 "[ . 1 . 2]" 1
916 1 49 ALA HA 1 51 GLU H 5.430 . 5.430 4.364 4.018 4.662 . 0 0 "[ . 1 . 2]" 1
917 1 49 ALA HA 1 52 HIS H 5.220 . 5.220 3.443 3.117 3.710 . 0 0 "[ . 1 . 2]" 1
918 1 49 ALA HA 1 53 LEU H 5.410 . 5.410 3.840 3.535 4.086 . 0 0 "[ . 1 . 2]" 1
919 1 49 ALA HA 1 53 LEU MD1 5.500 . 5.500 3.925 2.874 4.518 . 0 0 "[ . 1 . 2]" 1
920 1 49 ALA MB 1 50 LYS H 3.830 . 3.830 2.488 2.253 2.819 . 0 0 "[ . 1 . 2]" 1
921 1 49 ALA MB 1 51 GLU H 5.500 . 5.500 4.495 4.264 4.678 . 0 0 "[ . 1 . 2]" 1
922 1 49 ALA MB 1 53 LEU MD1 4.920 . 4.920 2.614 1.716 3.222 . 0 0 "[ . 1 . 2]" 1
923 1 50 LYS H 1 50 LYS HB2 3.930 . 3.930 2.514 2.340 3.620 . 0 0 "[ . 1 . 2]" 1
924 1 50 LYS H 1 50 LYS QB 3.420 . 3.420 2.404 2.227 2.565 . 0 0 "[ . 1 . 2]" 1
925 1 50 LYS H 1 50 LYS HB3 3.930 . 3.930 3.439 2.531 3.610 . 0 0 "[ . 1 . 2]" 1
926 1 50 LYS H 1 50 LYS HG2 5.500 . 5.500 3.252 1.998 4.590 . 0 0 "[ . 1 . 2]" 1
927 1 50 LYS H 1 50 LYS HG3 5.500 . 5.500 2.936 1.971 4.492 . 0 0 "[ . 1 . 2]" 1
928 1 50 LYS H 1 51 GLU H 3.460 . 3.460 2.722 2.531 2.864 . 0 0 "[ . 1 . 2]" 1
929 1 50 LYS H 1 51 GLU QB 5.500 . 5.500 4.600 4.300 4.948 . 0 0 "[ . 1 . 2]" 1
930 1 50 LYS H 1 53 LEU H 5.500 . 5.500 4.709 4.518 4.842 . 0 0 "[ . 1 . 2]" 1
931 1 50 LYS HA 1 50 LYS QE 5.500 . 5.500 4.002 1.892 5.454 . 0 0 "[ . 1 . 2]" 1
932 1 50 LYS HA 1 52 HIS H 5.500 . 5.500 4.462 4.132 4.695 . 0 0 "[ . 1 . 2]" 1
933 1 50 LYS HA 1 53 LEU H 5.030 . 5.030 3.645 3.158 3.878 . 0 0 "[ . 1 . 2]" 1
934 1 50 LYS HA 1 53 LEU HB2 5.500 . 5.500 3.234 2.563 4.803 . 0 0 "[ . 1 . 2]" 1
935 1 50 LYS HA 1 53 LEU HB3 5.500 . 5.500 4.848 4.216 5.660 0.160 19 0 "[ . 1 . 2]" 1
936 1 50 LYS HA 1 53 LEU MD1 4.980 . 4.980 3.431 2.438 5.117 0.137 14 0 "[ . 1 . 2]" 1
937 1 50 LYS HA 1 54 GLY H 5.250 . 5.250 3.865 2.573 5.153 . 0 0 "[ . 1 . 2]" 1
938 1 50 LYS QB 1 51 GLU H 3.780 . 3.780 2.664 2.296 3.406 . 0 0 "[ . 1 . 2]" 1
939 1 50 LYS HB2 1 51 GLU H 4.410 . 4.410 2.882 2.328 3.757 . 0 0 "[ . 1 . 2]" 1
940 1 50 LYS HB3 1 51 GLU H 4.410 . 4.410 3.534 2.373 3.979 . 0 0 "[ . 1 . 2]" 1
941 1 50 LYS QG 1 51 GLU H 5.340 . 5.340 3.993 2.032 4.651 . 0 0 "[ . 1 . 2]" 1
942 1 51 GLU H 1 51 GLU QB 3.470 . 3.470 2.311 2.110 2.547 . 0 0 "[ . 1 . 2]" 1
943 1 51 GLU H 1 51 GLU HG2 4.680 . 4.680 3.901 2.268 4.456 . 0 0 "[ . 1 . 2]" 1
944 1 51 GLU H 1 51 GLU QG 4.000 . 4.000 3.224 1.999 3.985 . 0 0 "[ . 1 . 2]" 1
945 1 51 GLU H 1 51 GLU HG3 4.680 . 4.680 3.615 2.020 4.528 . 0 0 "[ . 1 . 2]" 1
946 1 51 GLU H 1 52 HIS H 3.820 . 3.820 2.566 2.397 2.789 . 0 0 "[ . 1 . 2]" 1
947 1 51 GLU QB 1 52 HIS H 4.250 . 4.250 2.600 2.316 2.920 . 0 0 "[ . 1 . 2]" 1
948 1 51 GLU HG2 1 52 HIS H 5.500 . 5.500 4.394 3.389 5.358 . 0 0 "[ . 1 . 2]" 1
949 1 51 GLU HG3 1 52 HIS H 5.500 . 5.500 4.625 4.059 5.204 . 0 0 "[ . 1 . 2]" 1
950 1 52 HIS H 1 52 HIS QB 3.670 . 3.670 2.251 2.217 2.295 . 0 0 "[ . 1 . 2]" 1
951 1 52 HIS H 1 53 LEU H 4.240 . 4.240 2.547 2.406 2.694 . 0 0 "[ . 1 . 2]" 1
952 1 52 HIS QB 1 53 LEU H 4.020 . 4.020 2.653 2.467 2.900 . 0 0 "[ . 1 . 2]" 1
953 1 52 HIS HD2 1 53 LEU H 5.500 . 5.500 4.172 3.591 4.506 . 0 0 "[ . 1 . 2]" 1
954 1 52 HIS HD2 1 53 LEU MD2 3.850 . 3.850 2.553 1.950 3.054 . 0 0 "[ . 1 . 2]" 1
955 1 52 HIS HD2 1 53 LEU HG 4.330 . 4.330 3.652 1.900 4.359 0.029 11 0 "[ . 1 . 2]" 1
956 1 53 LEU H 1 53 LEU QB 3.610 . 3.610 2.501 2.394 3.246 . 0 0 "[ . 1 . 2]" 1
957 1 53 LEU H 1 53 LEU MD1 5.000 . 5.000 3.648 3.212 3.839 . 0 0 "[ . 1 . 2]" 1
958 1 53 LEU H 1 53 LEU MD2 5.500 . 5.500 3.443 3.188 4.120 . 0 0 "[ . 1 . 2]" 1
959 1 53 LEU H 1 53 LEU HG 4.370 . 4.370 2.402 2.079 3.039 . 0 0 "[ . 1 . 2]" 1
960 1 53 LEU H 1 54 GLY H 4.270 . 4.270 2.585 2.278 3.858 . 0 0 "[ . 1 . 2]" 1
961 1 53 LEU HA 1 53 LEU MD2 3.590 . 3.590 2.144 1.975 3.769 0.179 19 0 "[ . 1 . 2]" 1
962 1 53 LEU QB 1 54 GLY H 4.270 . 4.270 2.712 1.763 3.598 . 0 0 "[ . 1 . 2]" 1
963 1 53 LEU QB 1 54 GLY QA 5.340 . 5.340 3.849 3.474 4.356 . 0 0 "[ . 1 . 2]" 1
964 1 53 LEU QB 1 55 GLY H 5.340 . 5.340 4.465 2.762 5.423 0.083 8 0 "[ . 1 . 2]" 1
965 1 53 LEU HB2 1 54 GLY H 5.000 . 5.000 2.794 1.779 3.875 . 0 0 "[ . 1 . 2]" 1
966 1 53 LEU HB3 1 54 GLY H 5.000 . 5.000 3.755 2.888 4.354 . 0 0 "[ . 1 . 2]" 1
967 1 53 LEU MD1 1 54 GLY H 5.500 . 5.500 4.575 3.547 5.289 . 0 0 "[ . 1 . 2]" 1
968 1 53 LEU MD2 1 54 GLY H 5.500 . 5.500 4.674 4.374 5.448 . 0 0 "[ . 1 . 2]" 1
969 1 55 GLY QA 1 56 LEU QB 5.340 . 5.340 4.065 3.516 4.647 . 0 0 "[ . 1 . 2]" 1
970 1 55 GLY QA 1 57 GLU H 5.370 . 5.370 4.192 3.137 5.408 0.038 8 0 "[ . 1 . 2]" 1
971 1 56 LEU H 1 56 LEU QB 3.670 . 3.670 2.518 2.213 3.386 . 0 0 "[ . 1 . 2]" 1
972 1 56 LEU H 1 56 LEU MD1 5.500 . 5.500 3.936 1.609 4.710 . 0 0 "[ . 1 . 2]" 1
973 1 56 LEU H 1 56 LEU MD2 5.500 . 5.500 3.702 1.495 4.879 . 0 0 "[ . 1 . 2]" 1
974 1 56 LEU H 1 56 LEU HG 5.260 . 5.260 3.734 2.223 4.733 . 0 0 "[ . 1 . 2]" 1
975 1 56 LEU H 1 57 GLU H 4.600 . 4.600 3.053 1.488 4.526 . 0 0 "[ . 1 . 2]" 1
976 1 56 LEU HA 1 56 LEU MD1 4.470 . 4.470 3.376 1.954 4.106 . 0 0 "[ . 1 . 2]" 1
977 1 56 LEU HA 1 56 LEU MD2 3.830 . 3.830 2.871 1.961 3.865 0.035 11 0 "[ . 1 . 2]" 1
978 1 56 LEU HB2 1 57 GLU H 5.500 . 5.500 3.676 1.962 4.622 . 0 0 "[ . 1 . 2]" 1
979 1 56 LEU HB3 1 57 GLU H 5.500 . 5.500 3.557 2.527 4.455 . 0 0 "[ . 1 . 2]" 1
980 1 56 LEU MD1 1 57 GLU H 5.500 . 5.500 4.435 2.101 5.534 0.034 18 0 "[ . 1 . 2]" 1
981 1 56 LEU MD2 1 57 GLU H 5.500 . 5.500 3.864 2.024 5.345 . 0 0 "[ . 1 . 2]" 1
982 1 57 GLU H 1 57 GLU HG2 5.500 . 5.500 3.760 2.182 4.776 . 0 0 "[ . 1 . 2]" 1
983 1 57 GLU H 1 57 GLU QG 4.810 . 4.810 3.303 2.122 4.321 . 0 0 "[ . 1 . 2]" 1
984 1 57 GLU H 1 57 GLU HG3 5.500 . 5.500 3.978 2.504 5.103 . 0 0 "[ . 1 . 2]" 1
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