NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
419927 |
2ee1   |
10269 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ee1
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 1687
_Distance_constraint_stats_list.Viol_count 774
_Distance_constraint_stats_list.Viol_total 212.166
_Distance_constraint_stats_list.Viol_max 0.264
_Distance_constraint_stats_list.Viol_rms 0.0051
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0137
_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 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.008 0.008 18 0 "[ . 1 . 2]"
1 8 LYS 0.105 0.031 20 0 "[ . 1 . 2]"
1 9 PRO 0.342 0.069 20 0 "[ . 1 . 2]"
1 10 GLU 0.450 0.088 20 0 "[ . 1 . 2]"
1 11 TRP 0.672 0.121 20 0 "[ . 1 . 2]"
1 12 MET 0.613 0.116 18 0 "[ . 1 . 2]"
1 13 MET 0.914 0.121 20 0 "[ . 1 . 2]"
1 14 ILE 0.471 0.050 12 0 "[ . 1 . 2]"
1 15 HIS 0.270 0.151 10 0 "[ . 1 . 2]"
1 16 ARG 0.586 0.155 8 0 "[ . 1 . 2]"
1 17 ILE 0.296 0.022 10 0 "[ . 1 . 2]"
1 18 LEU 0.210 0.017 10 0 "[ . 1 . 2]"
1 19 ASN 0.124 0.017 10 0 "[ . 1 . 2]"
1 20 HIS 0.026 0.009 3 0 "[ . 1 . 2]"
1 21 SER 0.015 0.008 8 0 "[ . 1 . 2]"
1 22 VAL 0.004 0.002 10 0 "[ . 1 . 2]"
1 23 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LYS 0.000 0.000 11 0 "[ . 1 . 2]"
1 25 LYS 0.227 0.184 13 0 "[ . 1 . 2]"
1 26 GLY 0.009 0.007 3 0 "[ . 1 . 2]"
1 27 HIS 0.039 0.006 11 0 "[ . 1 . 2]"
1 28 VAL 0.468 0.035 2 0 "[ . 1 . 2]"
1 29 HIS 0.453 0.035 2 0 "[ . 1 . 2]"
1 30 TYR 0.213 0.014 8 0 "[ . 1 . 2]"
1 31 LEU 0.179 0.028 10 0 "[ . 1 . 2]"
1 32 ILE 0.133 0.028 10 0 "[ . 1 . 2]"
1 33 LYS 0.371 0.151 10 0 "[ . 1 . 2]"
1 34 TRP 0.139 0.023 19 0 "[ . 1 . 2]"
1 35 ARG 0.077 0.013 17 0 "[ . 1 . 2]"
1 36 ASP 0.005 0.003 8 0 "[ . 1 . 2]"
1 37 LEU 0.011 0.003 10 0 "[ . 1 . 2]"
1 38 PRO 0.034 0.022 2 0 "[ . 1 . 2]"
1 39 TYR 0.038 0.023 13 0 "[ . 1 . 2]"
1 40 ASP 0.014 0.005 11 0 "[ . 1 . 2]"
1 41 GLN 0.045 0.022 2 0 "[ . 1 . 2]"
1 42 ALA 0.031 0.005 2 0 "[ . 1 . 2]"
1 43 SER 0.007 0.004 18 0 "[ . 1 . 2]"
1 44 TRP 0.021 0.005 9 0 "[ . 1 . 2]"
1 45 GLU 2.199 0.264 16 0 "[ . 1 . 2]"
1 46 SER 2.264 0.264 16 0 "[ . 1 . 2]"
1 47 GLU 0.154 0.026 14 0 "[ . 1 . 2]"
1 48 ASP 0.007 0.003 18 0 "[ . 1 . 2]"
1 49 VAL 0.254 0.027 14 0 "[ . 1 . 2]"
1 50 GLU 0.130 0.013 18 0 "[ . 1 . 2]"
1 51 ILE 0.610 0.027 20 0 "[ . 1 . 2]"
1 52 GLN 0.251 0.038 19 0 "[ . 1 . 2]"
1 53 ASP 0.324 0.038 19 0 "[ . 1 . 2]"
1 54 TYR 0.906 0.043 18 0 "[ . 1 . 2]"
1 55 ASP 0.983 0.074 18 0 "[ . 1 . 2]"
1 56 LEU 1.158 0.144 14 0 "[ . 1 . 2]"
1 57 PHE 0.195 0.044 18 0 "[ . 1 . 2]"
1 58 LYS 1.709 0.078 6 0 "[ . 1 . 2]"
1 59 GLN 0.294 0.044 6 0 "[ . 1 . 2]"
1 60 SER 0.008 0.005 13 0 "[ . 1 . 2]"
1 61 TYR 0.010 0.004 4 0 "[ . 1 . 2]"
1 62 TRP 0.063 0.008 8 0 "[ . 1 . 2]"
1 63 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 SER HA 1 6 SER QB . . 2.650 2.351 2.190 2.480 . 0 0 "[ . 1 . 2]" 1
2 1 6 SER HA 1 7 GLY HA2 . . 5.070 4.511 4.314 4.964 . 0 0 "[ . 1 . 2]" 1
3 1 6 SER HA 1 7 GLY HA3 . . 5.070 4.457 4.322 4.860 . 0 0 "[ . 1 . 2]" 1
4 1 7 GLY H 1 8 LYS H . . 4.730 4.131 2.799 4.617 . 0 0 "[ . 1 . 2]" 1
5 1 7 GLY QA 1 8 LYS H . . 3.070 2.219 2.108 2.311 . 0 0 "[ . 1 . 2]" 1
6 1 7 GLY QA 1 8 LYS QB . . 4.360 4.012 3.835 4.139 . 0 0 "[ . 1 . 2]" 1
7 1 7 GLY QA 1 8 LYS QG . . 4.230 3.737 3.416 4.026 . 0 0 "[ . 1 . 2]" 1
8 1 7 GLY HA2 1 8 LYS HA . . 5.410 4.439 4.286 4.620 . 0 0 "[ . 1 . 2]" 1
9 1 7 GLY HA2 1 8 LYS QG . . 5.030 4.069 3.660 4.768 . 0 0 "[ . 1 . 2]" 1
10 1 7 GLY HA3 1 8 LYS HA . . 5.410 4.474 4.349 4.764 . 0 0 "[ . 1 . 2]" 1
11 1 7 GLY HA3 1 8 LYS QG . . 5.030 4.539 3.799 5.038 0.008 18 0 "[ . 1 . 2]" 1
12 1 8 LYS H 1 8 LYS QB . . 3.240 2.405 2.227 2.673 . 0 0 "[ . 1 . 2]" 1
13 1 8 LYS H 1 8 LYS QG . . 3.660 2.986 2.391 3.561 . 0 0 "[ . 1 . 2]" 1
14 1 8 LYS HA 1 8 LYS HD2 . . 3.700 3.176 2.032 3.632 . 0 0 "[ . 1 . 2]" 1
15 1 8 LYS HA 1 8 LYS HD3 . . 3.700 2.296 2.015 3.431 . 0 0 "[ . 1 . 2]" 1
16 1 8 LYS HA 1 8 LYS HE2 . . 5.500 4.110 1.999 4.848 . 0 0 "[ . 1 . 2]" 1
17 1 8 LYS HA 1 8 LYS QE . . 4.810 3.629 1.930 4.321 . 0 0 "[ . 1 . 2]" 1
18 1 8 LYS HA 1 8 LYS HE3 . . 5.500 4.162 1.994 4.928 . 0 0 "[ . 1 . 2]" 1
19 1 8 LYS HA 1 8 LYS QG . . 3.510 2.681 2.472 2.938 . 0 0 "[ . 1 . 2]" 1
20 1 8 LYS HA 1 9 PRO HA . . 4.400 4.392 4.389 4.398 . 0 0 "[ . 1 . 2]" 1
21 1 8 LYS HA 1 9 PRO HD2 . . 2.960 2.381 2.291 2.453 . 0 0 "[ . 1 . 2]" 1
22 1 8 LYS HA 1 9 PRO HD3 . . 2.790 2.294 2.267 2.323 . 0 0 "[ . 1 . 2]" 1
23 1 8 LYS HA 1 9 PRO HG2 . . 4.700 4.497 4.425 4.555 . 0 0 "[ . 1 . 2]" 1
24 1 8 LYS HA 1 9 PRO HG3 . . 4.700 4.461 4.412 4.505 . 0 0 "[ . 1 . 2]" 1
25 1 8 LYS QB 1 8 LYS QE . . 4.190 3.510 2.078 3.835 . 0 0 "[ . 1 . 2]" 1
26 1 8 LYS QB 1 9 PRO HD2 . . 2.990 2.164 1.995 2.402 . 0 0 "[ . 1 . 2]" 1
27 1 8 LYS QB 1 9 PRO HD3 . . 3.820 3.501 3.371 3.676 . 0 0 "[ . 1 . 2]" 1
28 1 8 LYS HB2 1 8 LYS HE2 . . 5.500 4.877 3.460 5.492 . 0 0 "[ . 1 . 2]" 1
29 1 8 LYS HB2 1 8 LYS HE3 . . 5.500 4.763 3.673 5.497 . 0 0 "[ . 1 . 2]" 1
30 1 8 LYS HB3 1 8 LYS HE2 . . 5.500 4.324 2.120 4.737 . 0 0 "[ . 1 . 2]" 1
31 1 8 LYS HB3 1 8 LYS HE3 . . 5.500 4.309 3.231 4.738 . 0 0 "[ . 1 . 2]" 1
32 1 8 LYS HD2 1 9 PRO HD2 . . 4.600 2.564 2.000 3.896 . 0 0 "[ . 1 . 2]" 1
33 1 8 LYS HD2 1 9 PRO HD3 . . 4.680 3.769 2.546 4.677 . 0 0 "[ . 1 . 2]" 1
34 1 8 LYS HD3 1 9 PRO HD2 . . 4.600 2.484 2.000 4.017 . 0 0 "[ . 1 . 2]" 1
35 1 8 LYS HD3 1 9 PRO HD3 . . 4.680 3.084 2.545 4.666 . 0 0 "[ . 1 . 2]" 1
36 1 8 LYS QE 1 8 LYS QG . . 3.360 2.217 2.039 2.423 . 0 0 "[ . 1 . 2]" 1
37 1 8 LYS HE2 1 9 PRO HD2 . . 5.500 4.299 2.478 4.876 . 0 0 "[ . 1 . 2]" 1
38 1 8 LYS HE3 1 9 PRO HD2 . . 5.500 4.404 2.431 4.995 . 0 0 "[ . 1 . 2]" 1
39 1 8 LYS QG 1 9 PRO HD2 . . 3.730 3.586 3.419 3.761 0.031 20 0 "[ . 1 . 2]" 1
40 1 8 LYS QG 1 9 PRO HD3 . . 4.670 4.419 4.177 4.603 . 0 0 "[ . 1 . 2]" 1
41 1 8 LYS QG 1 51 ILE HA . . 4.490 4.105 3.087 4.517 0.027 20 0 "[ . 1 . 2]" 1
42 1 8 LYS QG 1 51 ILE HG12 . . 3.820 3.545 2.921 3.812 . 0 0 "[ . 1 . 2]" 1
43 1 8 LYS QG 1 51 ILE HG13 . . 4.420 3.496 2.855 3.840 . 0 0 "[ . 1 . 2]" 1
44 1 9 PRO HA 1 10 GLU H . . 3.100 2.359 2.153 2.650 . 0 0 "[ . 1 . 2]" 1
45 1 9 PRO HA 1 10 GLU HA . . 4.430 4.374 4.350 4.409 . 0 0 "[ . 1 . 2]" 1
46 1 9 PRO HA 1 10 GLU HB3 . . 4.940 4.665 4.607 4.773 . 0 0 "[ . 1 . 2]" 1
47 1 9 PRO HA 1 10 GLU HG2 . . 5.200 3.754 3.643 3.905 . 0 0 "[ . 1 . 2]" 1
48 1 9 PRO HA 1 10 GLU HG3 . . 5.030 5.001 4.905 5.099 0.069 20 0 "[ . 1 . 2]" 1
49 1 9 PRO HA 1 11 TRP H . . 4.760 4.346 4.108 4.556 . 0 0 "[ . 1 . 2]" 1
50 1 9 PRO HA 1 12 MET HB2 . . 5.300 5.058 4.617 5.278 . 0 0 "[ . 1 . 2]" 1
51 1 9 PRO HB2 1 10 GLU H . . 4.330 2.804 2.053 3.709 . 0 0 "[ . 1 . 2]" 1
52 1 9 PRO HB2 1 11 TRP H . . 4.120 3.216 2.555 3.897 . 0 0 "[ . 1 . 2]" 1
53 1 9 PRO HB2 1 11 TRP HD1 . . 4.100 2.837 2.336 3.533 . 0 0 "[ . 1 . 2]" 1
54 1 9 PRO HB2 1 11 TRP HE1 . . 4.150 2.453 2.287 2.801 . 0 0 "[ . 1 . 2]" 1
55 1 9 PRO HB2 1 11 TRP HZ2 . . 4.650 4.083 3.733 4.574 . 0 0 "[ . 1 . 2]" 1
56 1 9 PRO HB2 1 12 MET H . . 4.490 2.754 2.449 3.024 . 0 0 "[ . 1 . 2]" 1
57 1 9 PRO HB2 1 12 MET HB2 . . 4.050 3.244 2.645 3.816 . 0 0 "[ . 1 . 2]" 1
58 1 9 PRO HB2 1 12 MET QG . . 4.590 3.177 2.448 3.966 . 0 0 "[ . 1 . 2]" 1
59 1 9 PRO HB3 1 10 GLU H . . 4.570 3.573 3.202 4.122 . 0 0 "[ . 1 . 2]" 1
60 1 9 PRO HB3 1 11 TRP HD1 . . 4.000 3.565 3.379 3.974 . 0 0 "[ . 1 . 2]" 1
61 1 9 PRO HB3 1 11 TRP HE1 . . 4.030 2.179 2.029 2.543 . 0 0 "[ . 1 . 2]" 1
62 1 9 PRO HB3 1 11 TRP HZ2 . . 4.610 3.940 3.725 4.319 . 0 0 "[ . 1 . 2]" 1
63 1 9 PRO HB3 1 12 MET H . . 4.620 4.495 4.182 4.637 0.017 1 0 "[ . 1 . 2]" 1
64 1 9 PRO HD2 1 12 MET HB2 . . 4.550 3.844 3.080 4.190 . 0 0 "[ . 1 . 2]" 1
65 1 9 PRO HD2 1 12 MET ME . . 5.210 5.000 4.676 5.178 . 0 0 "[ . 1 . 2]" 1
66 1 9 PRO HD2 1 12 MET HG2 . . 4.890 4.755 4.324 4.905 0.015 11 0 "[ . 1 . 2]" 1
67 1 9 PRO HD2 1 12 MET QG . . 4.120 3.640 2.754 3.831 . 0 0 "[ . 1 . 2]" 1
68 1 9 PRO HD2 1 12 MET HG3 . . 4.890 3.785 2.786 4.027 . 0 0 "[ . 1 . 2]" 1
69 1 9 PRO HD3 1 12 MET QG . . 5.260 4.322 3.744 4.488 . 0 0 "[ . 1 . 2]" 1
70 1 9 PRO QG 1 11 TRP H . . 5.350 4.755 3.866 5.375 0.025 20 0 "[ . 1 . 2]" 1
71 1 9 PRO QG 1 11 TRP HD1 . . 5.350 4.560 3.841 5.238 . 0 0 "[ . 1 . 2]" 1
72 1 9 PRO QG 1 11 TRP HE1 . . 4.210 3.212 2.509 3.948 . 0 0 "[ . 1 . 2]" 1
73 1 9 PRO QG 1 11 TRP HZ2 . . 4.030 3.133 2.729 3.641 . 0 0 "[ . 1 . 2]" 1
74 1 9 PRO QG 1 12 MET HB2 . . 4.250 2.071 1.985 2.188 . 0 0 "[ . 1 . 2]" 1
75 1 9 PRO QG 1 12 MET QG . . 4.090 2.087 1.852 2.275 . 0 0 "[ . 1 . 2]" 1
76 1 9 PRO HG2 1 11 TRP HE1 . . 4.800 4.125 3.531 4.816 0.016 18 0 "[ . 1 . 2]" 1
77 1 9 PRO HG2 1 11 TRP HZ2 . . 4.660 4.361 4.055 4.673 0.013 20 0 "[ . 1 . 2]" 1
78 1 9 PRO HG3 1 11 TRP HE1 . . 4.800 3.355 2.567 4.193 . 0 0 "[ . 1 . 2]" 1
79 1 9 PRO HG3 1 11 TRP HZ2 . . 4.660 3.214 2.773 3.798 . 0 0 "[ . 1 . 2]" 1
80 1 10 GLU H 1 10 GLU HB2 . . 4.080 3.608 3.586 3.628 . 0 0 "[ . 1 . 2]" 1
81 1 10 GLU H 1 10 GLU HB3 . . 3.380 2.974 2.669 3.195 . 0 0 "[ . 1 . 2]" 1
82 1 10 GLU H 1 10 GLU HG2 . . 4.120 1.909 1.870 1.962 . 0 0 "[ . 1 . 2]" 1
83 1 10 GLU H 1 10 GLU HG3 . . 4.800 2.756 2.534 3.208 . 0 0 "[ . 1 . 2]" 1
84 1 10 GLU H 1 11 TRP H . . 3.840 2.323 2.087 2.751 . 0 0 "[ . 1 . 2]" 1
85 1 10 GLU HA 1 10 GLU HG2 . . 3.840 3.673 3.599 3.748 . 0 0 "[ . 1 . 2]" 1
86 1 10 GLU HA 1 10 GLU HG3 . . 4.050 3.785 3.733 3.839 . 0 0 "[ . 1 . 2]" 1
87 1 10 GLU HA 1 11 TRP HA . . 4.900 4.870 4.803 4.889 . 0 0 "[ . 1 . 2]" 1
88 1 10 GLU HA 1 12 MET H . . 4.410 3.933 3.776 4.432 0.022 11 0 "[ . 1 . 2]" 1
89 1 10 GLU HB2 1 11 TRP H . . 3.710 3.475 3.355 3.698 . 0 0 "[ . 1 . 2]" 1
90 1 10 GLU HB3 1 11 TRP H . . 4.200 3.974 3.822 4.157 . 0 0 "[ . 1 . 2]" 1
91 1 10 GLU HG2 1 11 TRP H . . 5.270 2.799 2.329 3.147 . 0 0 "[ . 1 . 2]" 1
92 1 10 GLU HG2 1 11 TRP HE1 . . 5.500 5.477 5.364 5.588 0.088 20 0 "[ . 1 . 2]" 1
93 1 10 GLU HG3 1 11 TRP H . . 5.090 1.994 1.894 2.342 . 0 0 "[ . 1 . 2]" 1
94 1 10 GLU HG3 1 11 TRP HA . . 4.410 3.559 3.382 3.913 . 0 0 "[ . 1 . 2]" 1
95 1 10 GLU HG3 1 11 TRP HD1 . . 4.480 3.340 3.109 3.880 . 0 0 "[ . 1 . 2]" 1
96 1 11 TRP H 1 11 TRP HB2 . . 3.650 3.593 3.587 3.596 . 0 0 "[ . 1 . 2]" 1
97 1 11 TRP H 1 11 TRP HB3 . . 3.650 2.551 2.434 2.637 . 0 0 "[ . 1 . 2]" 1
98 1 11 TRP H 1 12 MET H . . 3.440 2.794 2.615 2.964 . 0 0 "[ . 1 . 2]" 1
99 1 11 TRP H 1 12 MET HB2 . . 4.880 4.704 4.527 4.751 . 0 0 "[ . 1 . 2]" 1
100 1 11 TRP H 1 12 MET QG . . 5.340 4.996 4.863 5.263 . 0 0 "[ . 1 . 2]" 1
101 1 11 TRP HA 1 11 TRP HD1 . . 4.550 4.321 4.245 4.538 . 0 0 "[ . 1 . 2]" 1
102 1 11 TRP HA 1 11 TRP HE3 . . 4.680 4.404 4.099 4.508 . 0 0 "[ . 1 . 2]" 1
103 1 11 TRP HA 1 13 MET ME . . 4.990 4.509 3.531 4.987 . 0 0 "[ . 1 . 2]" 1
104 1 11 TRP HB2 1 11 TRP HE3 . . 3.740 2.529 2.481 2.673 . 0 0 "[ . 1 . 2]" 1
105 1 11 TRP HB2 1 12 MET H . . 4.170 3.818 3.596 3.901 . 0 0 "[ . 1 . 2]" 1
106 1 11 TRP HB2 1 12 MET HA . . 4.610 4.491 4.419 4.528 . 0 0 "[ . 1 . 2]" 1
107 1 11 TRP HB2 1 13 MET ME . . 4.770 4.567 3.844 4.762 . 0 0 "[ . 1 . 2]" 1
108 1 11 TRP HB3 1 11 TRP HD1 . . 3.470 2.706 2.610 2.748 . 0 0 "[ . 1 . 2]" 1
109 1 11 TRP HB3 1 12 MET H . . 4.170 4.054 3.788 4.132 . 0 0 "[ . 1 . 2]" 1
110 1 11 TRP HD1 1 12 MET HB2 . . 5.500 5.453 5.318 5.533 0.033 20 0 "[ . 1 . 2]" 1
111 1 11 TRP HE3 1 12 MET HA . . 4.180 3.142 2.394 3.415 . 0 0 "[ . 1 . 2]" 1
112 1 11 TRP HE3 1 13 MET ME . . 4.550 4.119 2.680 4.363 . 0 0 "[ . 1 . 2]" 1
113 1 11 TRP HH2 1 12 MET ME . . 4.370 2.708 1.961 3.220 . 0 0 "[ . 1 . 2]" 1
114 1 11 TRP HZ2 1 12 MET HB2 . . 5.500 5.417 5.120 5.508 0.008 1 0 "[ . 1 . 2]" 1
115 1 11 TRP HZ2 1 12 MET ME . . 4.620 3.840 3.247 4.221 . 0 0 "[ . 1 . 2]" 1
116 1 11 TRP HZ2 1 12 MET QG . . 4.270 3.234 2.800 3.448 . 0 0 "[ . 1 . 2]" 1
117 1 11 TRP HZ3 1 12 MET ME . . 4.640 3.496 1.943 3.882 . 0 0 "[ . 1 . 2]" 1
118 1 11 TRP HZ3 1 13 MET ME . . 5.500 5.237 3.282 5.621 0.121 20 0 "[ . 1 . 2]" 1
119 1 12 MET H 1 12 MET HB2 . . 3.460 2.198 2.170 2.271 . 0 0 "[ . 1 . 2]" 1
120 1 12 MET H 1 12 MET QG . . 3.370 2.840 2.744 2.938 . 0 0 "[ . 1 . 2]" 1
121 1 12 MET H 1 13 MET H . . 4.670 4.518 4.392 4.594 . 0 0 "[ . 1 . 2]" 1
122 1 12 MET HA 1 12 MET ME . . 4.250 4.021 3.153 4.161 . 0 0 "[ . 1 . 2]" 1
123 1 12 MET HA 1 12 MET QG . . 3.260 2.653 2.335 2.742 . 0 0 "[ . 1 . 2]" 1
124 1 12 MET HA 1 13 MET H . . 3.090 2.161 2.142 2.200 . 0 0 "[ . 1 . 2]" 1
125 1 12 MET HA 1 13 MET HB2 . . 4.980 4.838 4.747 5.033 0.053 12 0 "[ . 1 . 2]" 1
126 1 12 MET HA 1 13 MET ME . . 4.600 3.706 1.900 3.956 . 0 0 "[ . 1 . 2]" 1
127 1 12 MET HA 1 13 MET QG . . 4.260 3.372 3.137 3.568 . 0 0 "[ . 1 . 2]" 1
128 1 12 MET HA 1 34 TRP HE3 . . 4.310 4.120 3.707 4.321 0.011 18 0 "[ . 1 . 2]" 1
129 1 12 MET HA 1 34 TRP HZ3 . . 5.120 4.766 4.373 5.110 . 0 0 "[ . 1 . 2]" 1
130 1 12 MET HB2 1 13 MET H . . 4.530 4.408 4.291 4.544 0.014 1 0 "[ . 1 . 2]" 1
131 1 12 MET HB2 1 13 MET QG . . 5.340 5.194 5.018 5.456 0.116 18 0 "[ . 1 . 2]" 1
132 1 12 MET HB2 1 34 TRP HE3 . . 5.480 5.095 4.566 5.483 0.003 1 0 "[ . 1 . 2]" 1
133 1 12 MET HB2 1 34 TRP HZ3 . . 4.650 4.211 3.308 4.643 . 0 0 "[ . 1 . 2]" 1
134 1 12 MET HB3 1 13 MET H . . 4.630 3.419 3.171 3.736 . 0 0 "[ . 1 . 2]" 1
135 1 12 MET HB3 1 34 TRP HE3 . . 4.520 3.392 2.846 3.941 . 0 0 "[ . 1 . 2]" 1
136 1 12 MET HB3 1 34 TRP HH2 . . 4.550 4.225 3.881 4.489 . 0 0 "[ . 1 . 2]" 1
137 1 12 MET ME 1 34 TRP HB2 . . 4.350 3.869 3.375 4.241 . 0 0 "[ . 1 . 2]" 1
138 1 12 MET ME 1 34 TRP HB3 . . 4.410 3.106 2.602 3.591 . 0 0 "[ . 1 . 2]" 1
139 1 12 MET ME 1 34 TRP HD1 . . 4.290 3.671 3.262 4.078 . 0 0 "[ . 1 . 2]" 1
140 1 12 MET ME 1 34 TRP HE1 . . 4.560 3.598 3.167 3.996 . 0 0 "[ . 1 . 2]" 1
141 1 12 MET ME 1 34 TRP HE3 . . 4.360 3.464 3.134 3.740 . 0 0 "[ . 1 . 2]" 1
142 1 12 MET ME 1 34 TRP HH2 . . 4.500 3.998 3.486 4.505 0.005 18 0 "[ . 1 . 2]" 1
143 1 12 MET ME 1 34 TRP HZ3 . . 4.630 3.949 3.553 4.307 . 0 0 "[ . 1 . 2]" 1
144 1 12 MET ME 1 37 LEU MD1 . . 3.550 3.022 2.574 3.340 . 0 0 "[ . 1 . 2]" 1
145 1 12 MET ME 1 37 LEU MD2 . . 4.950 4.642 4.205 4.952 0.002 2 0 "[ . 1 . 2]" 1
146 1 12 MET QG 1 13 MET H . . 4.800 4.365 4.150 4.523 . 0 0 "[ . 1 . 2]" 1
147 1 12 MET QG 1 34 TRP HE3 . . 5.340 4.346 3.705 4.594 . 0 0 "[ . 1 . 2]" 1
148 1 12 MET QG 1 34 TRP HH2 . . 4.930 4.520 3.900 4.887 . 0 0 "[ . 1 . 2]" 1
149 1 13 MET H 1 13 MET HB2 . . 3.900 2.820 2.723 3.011 . 0 0 "[ . 1 . 2]" 1
150 1 13 MET H 1 13 MET HB3 . . 4.020 3.796 3.736 3.877 . 0 0 "[ . 1 . 2]" 1
151 1 13 MET H 1 13 MET HG2 . . 4.280 3.700 2.124 4.106 . 0 0 "[ . 1 . 2]" 1
152 1 13 MET H 1 13 MET QG . . 3.680 2.451 2.104 2.660 . 0 0 "[ . 1 . 2]" 1
153 1 13 MET H 1 13 MET HG3 . . 4.280 2.666 2.411 3.420 . 0 0 "[ . 1 . 2]" 1
154 1 13 MET H 1 34 TRP HE3 . . 4.460 3.308 3.037 3.632 . 0 0 "[ . 1 . 2]" 1
155 1 13 MET HB2 1 14 ILE H . . 4.270 3.242 2.946 3.644 . 0 0 "[ . 1 . 2]" 1
156 1 13 MET HB2 1 35 ARG H . . 4.550 3.586 3.271 3.837 . 0 0 "[ . 1 . 2]" 1
157 1 13 MET HB2 1 35 ARG HB2 . . 4.000 2.491 2.128 2.633 . 0 0 "[ . 1 . 2]" 1
158 1 13 MET HB2 1 35 ARG HB3 . . 4.070 3.895 3.651 4.051 . 0 0 "[ . 1 . 2]" 1
159 1 13 MET HB2 1 35 ARG QD . . 3.910 2.355 1.987 2.749 . 0 0 "[ . 1 . 2]" 1
160 1 13 MET HB2 1 35 ARG HG2 . . 4.630 4.170 4.039 4.332 . 0 0 "[ . 1 . 2]" 1
161 1 13 MET HB2 1 35 ARG HG3 . . 4.420 2.696 2.596 2.837 . 0 0 "[ . 1 . 2]" 1
162 1 13 MET HB3 1 14 ILE H . . 4.060 2.449 2.234 2.967 . 0 0 "[ . 1 . 2]" 1
163 1 13 MET HB3 1 35 ARG HB2 . . 4.250 4.119 3.641 4.253 0.003 8 0 "[ . 1 . 2]" 1
164 1 13 MET HB3 1 35 ARG HB3 . . 5.430 5.261 4.797 5.400 . 0 0 "[ . 1 . 2]" 1
165 1 13 MET HB3 1 35 ARG QD . . 3.910 2.794 2.120 3.478 . 0 0 "[ . 1 . 2]" 1
166 1 13 MET HB3 1 35 ARG HG2 . . 5.430 5.046 4.756 5.279 . 0 0 "[ . 1 . 2]" 1
167 1 13 MET HB3 1 35 ARG HG3 . . 4.330 3.606 3.415 3.955 . 0 0 "[ . 1 . 2]" 1
168 1 13 MET ME 1 14 ILE H . . 5.200 4.618 3.348 5.182 . 0 0 "[ . 1 . 2]" 1
169 1 13 MET ME 1 14 ILE HA . . 5.500 5.507 5.482 5.550 0.050 12 0 "[ . 1 . 2]" 1
170 1 13 MET ME 1 35 ARG QD . . 4.370 2.923 2.208 4.374 0.004 20 0 "[ . 1 . 2]" 1
171 1 13 MET HG2 1 14 ILE H . . 5.350 4.476 4.283 4.977 . 0 0 "[ . 1 . 2]" 1
172 1 13 MET HG2 1 35 ARG QD . . 4.780 4.076 3.224 4.579 . 0 0 "[ . 1 . 2]" 1
173 1 13 MET HG2 1 35 ARG HG3 . . 5.500 5.452 5.109 5.502 0.002 19 0 "[ . 1 . 2]" 1
174 1 13 MET HG3 1 14 ILE H . . 5.350 4.837 4.696 5.364 0.014 18 0 "[ . 1 . 2]" 1
175 1 13 MET HG3 1 35 ARG QD . . 4.780 4.158 2.944 4.732 . 0 0 "[ . 1 . 2]" 1
176 1 13 MET HG3 1 35 ARG HG3 . . 5.500 5.238 4.713 5.498 . 0 0 "[ . 1 . 2]" 1
177 1 14 ILE H 1 14 ILE HB . . 3.400 2.613 2.468 2.679 . 0 0 "[ . 1 . 2]" 1
178 1 14 ILE H 1 14 ILE MD . . 4.240 4.170 3.968 4.251 0.011 12 0 "[ . 1 . 2]" 1
179 1 14 ILE H 1 14 ILE HG12 . . 4.020 3.830 3.670 4.026 0.006 10 0 "[ . 1 . 2]" 1
180 1 14 ILE H 1 14 ILE HG13 . . 3.490 2.899 2.748 2.998 . 0 0 "[ . 1 . 2]" 1
181 1 14 ILE H 1 14 ILE MG . . 3.890 3.830 3.761 3.858 . 0 0 "[ . 1 . 2]" 1
182 1 14 ILE H 1 15 HIS H . . 4.820 3.996 3.814 4.193 . 0 0 "[ . 1 . 2]" 1
183 1 14 ILE H 1 15 HIS HA . . 5.090 4.794 4.685 4.948 . 0 0 "[ . 1 . 2]" 1
184 1 14 ILE H 1 32 ILE MG . . 4.920 4.869 4.759 4.922 0.002 9 0 "[ . 1 . 2]" 1
185 1 14 ILE H 1 34 TRP HE3 . . 5.460 5.236 5.008 5.373 . 0 0 "[ . 1 . 2]" 1
186 1 14 ILE H 1 35 ARG QD . . 5.100 3.948 3.394 4.559 . 0 0 "[ . 1 . 2]" 1
187 1 14 ILE H 1 51 ILE MG . . 4.140 4.079 3.863 4.163 0.023 11 0 "[ . 1 . 2]" 1
188 1 14 ILE HA 1 14 ILE MD . . 3.950 3.740 3.686 3.791 . 0 0 "[ . 1 . 2]" 1
189 1 14 ILE HA 1 14 ILE HG12 . . 3.740 2.423 2.371 2.466 . 0 0 "[ . 1 . 2]" 1
190 1 14 ILE HA 1 14 ILE HG13 . . 3.850 3.132 2.913 3.260 . 0 0 "[ . 1 . 2]" 1
191 1 14 ILE HA 1 14 ILE MG . . 3.120 2.443 2.406 2.475 . 0 0 "[ . 1 . 2]" 1
192 1 14 ILE HA 1 15 HIS H . . 3.210 2.206 2.151 2.275 . 0 0 "[ . 1 . 2]" 1
193 1 14 ILE HA 1 15 HIS HB2 . . 4.560 4.473 4.408 4.538 . 0 0 "[ . 1 . 2]" 1
194 1 14 ILE HA 1 16 ARG H . . 4.340 4.218 4.136 4.298 . 0 0 "[ . 1 . 2]" 1
195 1 14 ILE HA 1 32 ILE HA . . 5.490 5.217 5.084 5.308 . 0 0 "[ . 1 . 2]" 1
196 1 14 ILE HA 1 32 ILE MG . . 3.550 2.761 2.683 2.856 . 0 0 "[ . 1 . 2]" 1
197 1 14 ILE HA 1 33 LYS HB3 . . 5.500 5.323 4.825 5.499 . 0 0 "[ . 1 . 2]" 1
198 1 14 ILE HA 1 34 TRP HA . . 3.760 3.380 3.227 3.539 . 0 0 "[ . 1 . 2]" 1
199 1 14 ILE HA 1 34 TRP HE3 . . 3.970 3.782 3.529 3.897 . 0 0 "[ . 1 . 2]" 1
200 1 14 ILE HA 1 34 TRP HZ3 . . 4.580 4.538 4.257 4.584 0.004 19 0 "[ . 1 . 2]" 1
201 1 14 ILE HA 1 35 ARG HB2 . . 5.500 5.198 4.863 5.492 . 0 0 "[ . 1 . 2]" 1
202 1 14 ILE HA 1 35 ARG HG3 . . 4.390 3.618 3.232 4.026 . 0 0 "[ . 1 . 2]" 1
203 1 14 ILE HA 1 51 ILE MG . . 4.630 4.442 4.258 4.594 . 0 0 "[ . 1 . 2]" 1
204 1 14 ILE HB 1 14 ILE MD . . 3.120 2.520 2.414 2.599 . 0 0 "[ . 1 . 2]" 1
205 1 14 ILE HB 1 15 HIS H . . 4.650 4.441 4.365 4.520 . 0 0 "[ . 1 . 2]" 1
206 1 14 ILE HB 1 32 ILE MG . . 4.460 3.949 3.853 4.086 . 0 0 "[ . 1 . 2]" 1
207 1 14 ILE HB 1 51 ILE MG . . 4.180 3.946 3.703 4.108 . 0 0 "[ . 1 . 2]" 1
208 1 14 ILE HB 1 57 PHE QD . . 4.730 3.844 3.744 3.967 . 0 0 "[ . 1 . 2]" 1
209 1 14 ILE HB 1 57 PHE QE . . 4.920 3.513 3.233 3.685 . 0 0 "[ . 1 . 2]" 1
210 1 14 ILE MD 1 14 ILE MG . . 2.810 1.907 1.852 1.958 . 0 0 "[ . 1 . 2]" 1
211 1 14 ILE MD 1 15 HIS H . . 5.500 5.368 5.201 5.502 0.002 11 0 "[ . 1 . 2]" 1
212 1 14 ILE MD 1 17 ILE HA . . 5.500 5.495 5.445 5.522 0.022 20 0 "[ . 1 . 2]" 1
213 1 14 ILE MD 1 30 TYR HB2 . . 5.500 5.426 5.272 5.509 0.009 10 0 "[ . 1 . 2]" 1
214 1 14 ILE MD 1 32 ILE HB . . 4.840 4.454 4.247 4.714 . 0 0 "[ . 1 . 2]" 1
215 1 14 ILE MD 1 32 ILE MD . . 3.100 2.052 1.891 2.266 . 0 0 "[ . 1 . 2]" 1
216 1 14 ILE MD 1 32 ILE MG . . 3.440 2.341 2.055 2.637 . 0 0 "[ . 1 . 2]" 1
217 1 14 ILE MD 1 34 TRP HH2 . . 4.850 4.580 4.387 4.775 . 0 0 "[ . 1 . 2]" 1
218 1 14 ILE MD 1 34 TRP HZ3 . . 4.350 3.998 3.732 4.293 . 0 0 "[ . 1 . 2]" 1
219 1 14 ILE MD 1 51 ILE HA . . 4.730 4.569 4.405 4.734 0.004 13 0 "[ . 1 . 2]" 1
220 1 14 ILE MD 1 51 ILE HB . . 3.910 2.148 1.958 2.464 . 0 0 "[ . 1 . 2]" 1
221 1 14 ILE MD 1 51 ILE MD . . 3.390 1.980 1.829 2.152 . 0 0 "[ . 1 . 2]" 1
222 1 14 ILE MD 1 51 ILE HG12 . . 5.020 3.752 3.591 3.970 . 0 0 "[ . 1 . 2]" 1
223 1 14 ILE MD 1 51 ILE HG13 . . 4.320 3.884 3.756 4.111 . 0 0 "[ . 1 . 2]" 1
224 1 14 ILE MD 1 51 ILE MG . . 2.900 2.175 1.909 2.349 . 0 0 "[ . 1 . 2]" 1
225 1 14 ILE MD 1 54 TYR H . . 4.370 4.232 3.863 4.375 0.005 8 0 "[ . 1 . 2]" 1
226 1 14 ILE MD 1 54 TYR HA . . 3.210 2.378 2.247 2.505 . 0 0 "[ . 1 . 2]" 1
227 1 14 ILE MD 1 54 TYR HB2 . . 4.010 3.100 2.730 3.386 . 0 0 "[ . 1 . 2]" 1
228 1 14 ILE MD 1 54 TYR HB3 . . 4.630 4.290 4.049 4.516 . 0 0 "[ . 1 . 2]" 1
229 1 14 ILE MD 1 54 TYR QD . . 3.150 2.098 1.849 2.689 . 0 0 "[ . 1 . 2]" 1
230 1 14 ILE MD 1 54 TYR QE . . 3.900 2.975 2.676 3.416 . 0 0 "[ . 1 . 2]" 1
231 1 14 ILE MD 1 55 ASP H . . 5.500 5.368 5.195 5.503 0.003 7 0 "[ . 1 . 2]" 1
232 1 14 ILE MD 1 57 PHE H . . 4.920 4.828 4.650 4.925 0.005 11 0 "[ . 1 . 2]" 1
233 1 14 ILE MD 1 57 PHE HB2 . . 3.950 3.515 3.374 3.646 . 0 0 "[ . 1 . 2]" 1
234 1 14 ILE MD 1 57 PHE HB3 . . 4.430 4.242 4.072 4.435 0.005 20 0 "[ . 1 . 2]" 1
235 1 14 ILE MD 1 57 PHE QD . . 4.050 3.888 3.679 4.023 . 0 0 "[ . 1 . 2]" 1
236 1 14 ILE MD 1 58 LYS H . . 5.380 5.049 4.895 5.171 . 0 0 "[ . 1 . 2]" 1
237 1 14 ILE HG12 1 14 ILE MG . . 3.410 2.415 2.335 2.501 . 0 0 "[ . 1 . 2]" 1
238 1 14 ILE HG12 1 15 HIS H . . 4.710 4.589 4.459 4.660 . 0 0 "[ . 1 . 2]" 1
239 1 14 ILE HG12 1 32 ILE MG . . 3.390 1.979 1.798 2.163 . 0 0 "[ . 1 . 2]" 1
240 1 14 ILE HG12 1 34 TRP HZ3 . . 4.560 3.281 3.052 3.563 . 0 0 "[ . 1 . 2]" 1
241 1 14 ILE HG12 1 51 ILE MD . . 3.850 3.068 2.798 3.303 . 0 0 "[ . 1 . 2]" 1
242 1 14 ILE HG12 1 51 ILE MG . . 3.660 2.777 2.539 3.145 . 0 0 "[ . 1 . 2]" 1
243 1 14 ILE HG13 1 14 ILE MG . . 3.430 3.186 3.170 3.196 . 0 0 "[ . 1 . 2]" 1
244 1 14 ILE HG13 1 32 ILE MG . . 3.640 3.438 3.220 3.641 0.001 12 0 "[ . 1 . 2]" 1
245 1 14 ILE HG13 1 34 TRP HE3 . . 5.500 4.740 4.298 5.047 . 0 0 "[ . 1 . 2]" 1
246 1 14 ILE HG13 1 34 TRP HZ3 . . 4.460 3.778 3.268 4.055 . 0 0 "[ . 1 . 2]" 1
247 1 14 ILE HG13 1 51 ILE MD . . 3.990 3.583 3.416 3.810 . 0 0 "[ . 1 . 2]" 1
248 1 14 ILE HG13 1 51 ILE MG . . 3.310 2.048 1.925 2.254 . 0 0 "[ . 1 . 2]" 1
249 1 14 ILE HG13 1 54 TYR QD . . 5.440 4.615 4.291 5.355 . 0 0 "[ . 1 . 2]" 1
250 1 14 ILE MG 1 15 HIS H . . 3.490 3.153 2.831 3.389 . 0 0 "[ . 1 . 2]" 1
251 1 14 ILE MG 1 15 HIS HA . . 4.420 4.313 4.123 4.429 0.009 18 0 "[ . 1 . 2]" 1
252 1 14 ILE MG 1 15 HIS HB2 . . 5.040 4.815 4.662 4.943 . 0 0 "[ . 1 . 2]" 1
253 1 14 ILE MG 1 16 ARG H . . 3.540 2.805 2.659 2.981 . 0 0 "[ . 1 . 2]" 1
254 1 14 ILE MG 1 16 ARG HA . . 3.500 3.167 3.070 3.248 . 0 0 "[ . 1 . 2]" 1
255 1 14 ILE MG 1 16 ARG HB3 . . 5.390 4.950 4.862 5.043 . 0 0 "[ . 1 . 2]" 1
256 1 14 ILE MG 1 17 ILE H . . 4.120 3.850 3.699 4.043 . 0 0 "[ . 1 . 2]" 1
257 1 14 ILE MG 1 17 ILE HA . . 4.330 3.901 3.826 4.017 . 0 0 "[ . 1 . 2]" 1
258 1 14 ILE MG 1 17 ILE HB . . 5.500 5.210 5.045 5.325 . 0 0 "[ . 1 . 2]" 1
259 1 14 ILE MG 1 17 ILE HG12 . . 4.240 3.965 3.789 4.099 . 0 0 "[ . 1 . 2]" 1
260 1 14 ILE MG 1 17 ILE HG13 . . 4.030 3.275 3.172 3.355 . 0 0 "[ . 1 . 2]" 1
261 1 14 ILE MG 1 32 ILE HA . . 4.450 3.202 2.997 3.437 . 0 0 "[ . 1 . 2]" 1
262 1 14 ILE MG 1 32 ILE MD . . 3.690 3.282 3.123 3.507 . 0 0 "[ . 1 . 2]" 1
263 1 14 ILE MG 1 32 ILE HG12 . . 4.730 2.848 2.718 3.050 . 0 0 "[ . 1 . 2]" 1
264 1 14 ILE MG 1 32 ILE HG13 . . 4.570 4.331 4.221 4.500 . 0 0 "[ . 1 . 2]" 1
265 1 14 ILE MG 1 32 ILE MG . . 3.050 1.883 1.751 1.976 . 0 0 "[ . 1 . 2]" 1
266 1 14 ILE MG 1 33 LYS H . . 4.380 3.187 2.792 3.374 . 0 0 "[ . 1 . 2]" 1
267 1 14 ILE MG 1 33 LYS HB3 . . 5.500 4.432 3.776 4.672 . 0 0 "[ . 1 . 2]" 1
268 1 14 ILE MG 1 51 ILE MG . . 4.290 4.156 4.077 4.292 0.002 20 0 "[ . 1 . 2]" 1
269 1 14 ILE MG 1 54 TYR HA . . 4.720 4.312 4.129 4.484 . 0 0 "[ . 1 . 2]" 1
270 1 14 ILE MG 1 54 TYR QD . . 4.840 3.721 3.427 4.303 . 0 0 "[ . 1 . 2]" 1
271 1 14 ILE MG 1 57 PHE HA . . 5.260 5.118 4.924 5.261 0.001 14 0 "[ . 1 . 2]" 1
272 1 14 ILE MG 1 57 PHE HB2 . . 4.050 3.446 3.163 3.551 . 0 0 "[ . 1 . 2]" 1
273 1 14 ILE MG 1 57 PHE HB3 . . 4.020 3.315 3.120 3.406 . 0 0 "[ . 1 . 2]" 1
274 1 14 ILE MG 1 57 PHE QD . . 3.620 2.575 2.169 2.901 . 0 0 "[ . 1 . 2]" 1
275 1 14 ILE MG 1 57 PHE QE . . 4.020 2.926 2.557 3.344 . 0 0 "[ . 1 . 2]" 1
276 1 15 HIS H 1 15 HIS HB2 . . 3.750 2.303 2.235 2.357 . 0 0 "[ . 1 . 2]" 1
277 1 15 HIS H 1 15 HIS HB3 . . 4.130 2.814 2.717 2.942 . 0 0 "[ . 1 . 2]" 1
278 1 15 HIS H 1 16 ARG H . . 3.300 3.067 2.827 3.303 0.003 11 0 "[ . 1 . 2]" 1
279 1 15 HIS H 1 32 ILE MG . . 4.150 3.860 3.568 4.086 . 0 0 "[ . 1 . 2]" 1
280 1 15 HIS H 1 33 LYS H . . 4.680 4.178 3.962 4.364 . 0 0 "[ . 1 . 2]" 1
281 1 15 HIS H 1 33 LYS HB3 . . 4.320 4.115 3.769 4.308 . 0 0 "[ . 1 . 2]" 1
282 1 15 HIS H 1 35 ARG H . . 4.150 2.412 2.168 2.650 . 0 0 "[ . 1 . 2]" 1
283 1 15 HIS H 1 35 ARG HA . . 4.470 3.654 3.496 3.795 . 0 0 "[ . 1 . 2]" 1
284 1 15 HIS H 1 35 ARG HG2 . . 4.270 3.088 2.902 3.405 . 0 0 "[ . 1 . 2]" 1
285 1 15 HIS H 1 35 ARG HG3 . . 4.860 2.340 2.020 2.696 . 0 0 "[ . 1 . 2]" 1
286 1 15 HIS HA 1 15 HIS HD2 . . 3.810 3.204 2.839 3.570 . 0 0 "[ . 1 . 2]" 1
287 1 15 HIS HA 1 35 ARG HA . . 4.310 3.962 3.788 4.135 . 0 0 "[ . 1 . 2]" 1
288 1 15 HIS HA 1 35 ARG HB2 . . 5.140 4.662 4.429 4.856 . 0 0 "[ . 1 . 2]" 1
289 1 15 HIS HA 1 35 ARG HB3 . . 4.710 4.501 4.423 4.599 . 0 0 "[ . 1 . 2]" 1
290 1 15 HIS HA 1 35 ARG HG2 . . 4.380 2.019 1.998 2.094 . 0 0 "[ . 1 . 2]" 1
291 1 15 HIS HA 1 35 ARG HG3 . . 4.620 2.549 2.166 2.895 . 0 0 "[ . 1 . 2]" 1
292 1 15 HIS HB2 1 16 ARG H . . 3.710 3.477 3.418 3.530 . 0 0 "[ . 1 . 2]" 1
293 1 15 HIS HB2 1 33 LYS HB3 . . 4.420 3.801 3.426 3.919 . 0 0 "[ . 1 . 2]" 1
294 1 15 HIS HB2 1 33 LYS QG . . 4.180 3.266 2.134 4.191 0.011 17 0 "[ . 1 . 2]" 1
295 1 15 HIS HB2 1 35 ARG H . . 4.350 2.924 2.573 3.127 . 0 0 "[ . 1 . 2]" 1
296 1 15 HIS HB2 1 35 ARG HA . . 3.460 2.049 1.997 2.091 . 0 0 "[ . 1 . 2]" 1
297 1 15 HIS HB2 1 35 ARG HB2 . . 4.400 4.123 3.985 4.222 . 0 0 "[ . 1 . 2]" 1
298 1 15 HIS HB2 1 35 ARG HB3 . . 4.610 3.969 3.797 4.159 . 0 0 "[ . 1 . 2]" 1
299 1 15 HIS HB2 1 35 ARG QD . . 5.490 4.168 3.996 4.357 . 0 0 "[ . 1 . 2]" 1
300 1 15 HIS HB2 1 35 ARG HG2 . . 3.740 2.151 1.998 2.459 . 0 0 "[ . 1 . 2]" 1
301 1 15 HIS HB2 1 35 ARG HG3 . . 4.500 2.843 2.568 3.117 . 0 0 "[ . 1 . 2]" 1
302 1 15 HIS HB2 1 36 ASP H . . 5.290 5.212 5.005 5.293 0.003 8 0 "[ . 1 . 2]" 1
303 1 15 HIS HB3 1 16 ARG H . . 3.440 2.085 1.971 2.193 . 0 0 "[ . 1 . 2]" 1
304 1 15 HIS HB3 1 33 LYS H . . 4.740 4.118 3.885 4.425 . 0 0 "[ . 1 . 2]" 1
305 1 15 HIS HB3 1 33 LYS HB2 . . 4.730 4.150 3.797 4.362 . 0 0 "[ . 1 . 2]" 1
306 1 15 HIS HB3 1 33 LYS HB3 . . 4.180 2.507 2.292 2.681 . 0 0 "[ . 1 . 2]" 1
307 1 15 HIS HB3 1 33 LYS HD2 . . 4.340 3.405 1.995 4.210 . 0 0 "[ . 1 . 2]" 1
308 1 15 HIS HB3 1 33 LYS QD . . 3.680 2.253 1.959 3.831 0.151 10 0 "[ . 1 . 2]" 1
309 1 15 HIS HB3 1 33 LYS HD3 . . 4.340 2.388 1.999 4.405 0.065 10 0 "[ . 1 . 2]" 1
310 1 15 HIS HB3 1 33 LYS QG . . 4.110 3.067 1.772 3.750 . 0 0 "[ . 1 . 2]" 1
311 1 15 HIS HB3 1 35 ARG HA . . 3.730 3.692 3.630 3.743 0.013 17 0 "[ . 1 . 2]" 1
312 1 15 HIS HB3 1 35 ARG HG2 . . 4.380 3.603 3.452 3.827 . 0 0 "[ . 1 . 2]" 1
313 1 15 HIS HB3 1 35 ARG HG3 . . 4.590 4.208 3.960 4.464 . 0 0 "[ . 1 . 2]" 1
314 1 15 HIS HD2 1 16 ARG HB2 . . 4.610 4.221 3.825 4.591 . 0 0 "[ . 1 . 2]" 1
315 1 15 HIS HD2 1 16 ARG HB3 . . 4.410 2.614 2.338 2.871 . 0 0 "[ . 1 . 2]" 1
316 1 15 HIS HD2 1 16 ARG HD2 . . 5.500 4.428 3.636 5.049 . 0 0 "[ . 1 . 2]" 1
317 1 15 HIS HD2 1 16 ARG QD . . 4.630 3.792 3.171 4.451 . 0 0 "[ . 1 . 2]" 1
318 1 15 HIS HD2 1 16 ARG HD3 . . 5.500 4.231 3.223 4.947 . 0 0 "[ . 1 . 2]" 1
319 1 15 HIS HD2 1 16 ARG HG2 . . 4.530 2.479 2.056 3.049 . 0 0 "[ . 1 . 2]" 1
320 1 15 HIS HD2 1 35 ARG HG2 . . 4.630 4.353 4.025 4.630 . 0 0 "[ . 1 . 2]" 1
321 1 16 ARG H 1 16 ARG HG2 . . 4.000 3.154 2.902 4.046 0.046 8 0 "[ . 1 . 2]" 1
322 1 16 ARG H 1 16 ARG HG3 . . 4.600 3.236 2.534 3.427 . 0 0 "[ . 1 . 2]" 1
323 1 16 ARG H 1 18 LEU MD2 . . 4.760 3.763 3.513 4.079 . 0 0 "[ . 1 . 2]" 1
324 1 16 ARG H 1 32 ILE MG . . 4.390 4.237 3.930 4.394 0.004 8 0 "[ . 1 . 2]" 1
325 1 16 ARG H 1 33 LYS H . . 4.110 3.202 3.039 3.393 . 0 0 "[ . 1 . 2]" 1
326 1 16 ARG H 1 33 LYS HB2 . . 4.430 4.323 3.829 4.432 0.002 3 0 "[ . 1 . 2]" 1
327 1 16 ARG H 1 33 LYS HB3 . . 3.650 2.674 2.110 2.800 . 0 0 "[ . 1 . 2]" 1
328 1 16 ARG H 1 33 LYS HD2 . . 5.500 4.445 3.301 5.454 . 0 0 "[ . 1 . 2]" 1
329 1 16 ARG H 1 33 LYS HD3 . . 5.500 3.974 3.628 5.376 . 0 0 "[ . 1 . 2]" 1
330 1 16 ARG H 1 35 ARG HA . . 5.500 5.493 5.458 5.508 0.008 13 0 "[ . 1 . 2]" 1
331 1 16 ARG HA 1 16 ARG HD2 . . 5.500 5.052 4.190 5.529 0.029 3 0 "[ . 1 . 2]" 1
332 1 16 ARG HA 1 16 ARG QD . . 4.700 4.296 3.762 4.473 . 0 0 "[ . 1 . 2]" 1
333 1 16 ARG HA 1 16 ARG HD3 . . 5.500 4.771 4.154 5.509 0.009 4 0 "[ . 1 . 2]" 1
334 1 16 ARG HA 1 16 ARG HG2 . . 4.050 3.872 3.770 4.205 0.155 8 0 "[ . 1 . 2]" 1
335 1 16 ARG HA 1 16 ARG HG3 . . 4.090 3.677 3.612 3.735 . 0 0 "[ . 1 . 2]" 1
336 1 16 ARG HA 1 17 ILE H . . 2.970 2.253 2.217 2.311 . 0 0 "[ . 1 . 2]" 1
337 1 16 ARG HA 1 17 ILE HB . . 4.780 4.656 4.593 4.746 . 0 0 "[ . 1 . 2]" 1
338 1 16 ARG HA 1 17 ILE MD . . 5.120 4.898 4.693 5.024 . 0 0 "[ . 1 . 2]" 1
339 1 16 ARG HA 1 17 ILE HG12 . . 5.500 5.423 5.295 5.503 0.003 8 0 "[ . 1 . 2]" 1
340 1 16 ARG HA 1 17 ILE HG13 . . 4.190 3.871 3.678 3.968 . 0 0 "[ . 1 . 2]" 1
341 1 16 ARG HA 1 57 PHE HB3 . . 5.500 4.618 4.495 4.765 . 0 0 "[ . 1 . 2]" 1
342 1 16 ARG HA 1 57 PHE QD . . 3.760 2.451 2.343 2.668 . 0 0 "[ . 1 . 2]" 1
343 1 16 ARG HA 1 57 PHE QE . . 4.040 2.230 2.000 2.569 . 0 0 "[ . 1 . 2]" 1
344 1 16 ARG HB2 1 16 ARG HD2 . . 3.690 3.059 2.301 3.639 . 0 0 "[ . 1 . 2]" 1
345 1 16 ARG HB2 1 16 ARG HD3 . . 3.690 2.612 2.064 3.599 . 0 0 "[ . 1 . 2]" 1
346 1 16 ARG HB2 1 17 ILE H . . 3.490 2.844 2.672 2.961 . 0 0 "[ . 1 . 2]" 1
347 1 16 ARG HB2 1 18 LEU MD2 . . 4.510 4.320 4.120 4.479 . 0 0 "[ . 1 . 2]" 1
348 1 16 ARG HB2 1 57 PHE QD . . 5.170 4.441 4.162 4.771 . 0 0 "[ . 1 . 2]" 1
349 1 16 ARG HB2 1 57 PHE QE . . 5.500 4.305 4.088 4.702 . 0 0 "[ . 1 . 2]" 1
350 1 16 ARG HB3 1 16 ARG HD2 . . 4.000 3.495 2.611 3.960 . 0 0 "[ . 1 . 2]" 1
351 1 16 ARG HB3 1 16 ARG QD . . 3.360 2.744 2.395 3.196 . 0 0 "[ . 1 . 2]" 1
352 1 16 ARG HB3 1 16 ARG HD3 . . 4.000 3.040 2.480 3.745 . 0 0 "[ . 1 . 2]" 1
353 1 16 ARG HB3 1 17 ILE H . . 4.050 4.006 3.912 4.061 0.011 10 0 "[ . 1 . 2]" 1
354 1 16 ARG QD 1 17 ILE H . . 4.860 4.569 3.311 4.862 0.002 20 0 "[ . 1 . 2]" 1
355 1 16 ARG QD 1 18 LEU MD2 . . 3.460 3.110 1.802 3.460 0.000 2 0 "[ . 1 . 2]" 1
356 1 16 ARG HG2 1 17 ILE H . . 5.030 5.008 4.910 5.040 0.010 8 0 "[ . 1 . 2]" 1
357 1 16 ARG HG2 1 18 LEU MD2 . . 3.810 3.264 2.904 3.746 . 0 0 "[ . 1 . 2]" 1
358 1 16 ARG HG3 1 17 ILE H . . 4.460 4.063 3.901 4.480 0.020 7 0 "[ . 1 . 2]" 1
359 1 16 ARG HG3 1 18 LEU MD2 . . 3.690 2.262 2.003 2.729 . 0 0 "[ . 1 . 2]" 1
360 1 16 ARG HG3 1 18 LEU HG . . 4.920 4.312 3.891 4.823 . 0 0 "[ . 1 . 2]" 1
361 1 16 ARG HG3 1 33 LYS HB2 . . 4.670 4.495 4.236 4.671 0.001 9 0 "[ . 1 . 2]" 1
362 1 16 ARG HG3 1 33 LYS HB3 . . 4.210 3.666 3.125 4.009 . 0 0 "[ . 1 . 2]" 1
363 1 17 ILE H 1 17 ILE HB . . 3.400 2.415 2.343 2.529 . 0 0 "[ . 1 . 2]" 1
364 1 17 ILE H 1 17 ILE MD . . 3.560 3.420 3.209 3.570 0.010 8 0 "[ . 1 . 2]" 1
365 1 17 ILE H 1 17 ILE HG12 . . 3.990 3.751 3.604 3.886 . 0 0 "[ . 1 . 2]" 1
366 1 17 ILE H 1 17 ILE HG13 . . 3.620 2.375 2.129 2.573 . 0 0 "[ . 1 . 2]" 1
367 1 17 ILE H 1 17 ILE MG . . 4.000 3.739 3.712 3.764 . 0 0 "[ . 1 . 2]" 1
368 1 17 ILE H 1 57 PHE HB3 . . 5.130 3.922 3.676 4.186 . 0 0 "[ . 1 . 2]" 1
369 1 17 ILE H 1 57 PHE QD . . 4.430 2.700 2.460 3.063 . 0 0 "[ . 1 . 2]" 1
370 1 17 ILE HA 1 17 ILE MD . . 4.100 3.833 3.807 3.883 . 0 0 "[ . 1 . 2]" 1
371 1 17 ILE HA 1 17 ILE HG12 . . 3.510 2.619 2.539 2.747 . 0 0 "[ . 1 . 2]" 1
372 1 17 ILE HA 1 17 ILE HG13 . . 3.440 2.719 2.657 2.791 . 0 0 "[ . 1 . 2]" 1
373 1 17 ILE HA 1 17 ILE MG . . 3.130 2.454 2.398 2.499 . 0 0 "[ . 1 . 2]" 1
374 1 17 ILE HA 1 18 LEU H . . 3.110 2.199 2.171 2.247 . 0 0 "[ . 1 . 2]" 1
375 1 17 ILE HA 1 18 LEU HB2 . . 4.800 4.704 4.639 4.790 . 0 0 "[ . 1 . 2]" 1
376 1 17 ILE HA 1 18 LEU MD2 . . 4.610 4.172 3.849 4.459 . 0 0 "[ . 1 . 2]" 1
377 1 17 ILE HA 1 18 LEU HG . . 4.350 3.954 3.787 4.031 . 0 0 "[ . 1 . 2]" 1
378 1 17 ILE HA 1 19 ASN H . . 4.040 3.882 3.733 4.016 . 0 0 "[ . 1 . 2]" 1
379 1 17 ILE HA 1 30 TYR QD . . 5.500 5.403 5.155 5.510 0.010 3 0 "[ . 1 . 2]" 1
380 1 17 ILE HA 1 32 ILE HA . . 3.420 3.244 3.067 3.362 . 0 0 "[ . 1 . 2]" 1
381 1 17 ILE HA 1 32 ILE HG12 . . 4.730 4.402 4.242 4.571 . 0 0 "[ . 1 . 2]" 1
382 1 17 ILE HA 1 32 ILE HG13 . . 5.300 5.181 4.918 5.322 0.022 10 0 "[ . 1 . 2]" 1
383 1 17 ILE HA 1 32 ILE MG . . 4.790 4.661 4.452 4.788 . 0 0 "[ . 1 . 2]" 1
384 1 17 ILE HA 1 33 LYS H . . 4.320 4.033 3.937 4.142 . 0 0 "[ . 1 . 2]" 1
385 1 17 ILE HA 1 57 PHE HB3 . . 5.150 5.064 4.948 5.160 0.010 3 0 "[ . 1 . 2]" 1
386 1 17 ILE HB 1 17 ILE MD . . 3.140 2.289 2.210 2.357 . 0 0 "[ . 1 . 2]" 1
387 1 17 ILE HB 1 57 PHE HB3 . . 4.940 4.327 4.071 4.504 . 0 0 "[ . 1 . 2]" 1
388 1 17 ILE HB 1 57 PHE QD . . 4.770 4.332 4.142 4.589 . 0 0 "[ . 1 . 2]" 1
389 1 17 ILE HB 1 58 LYS HA . . 4.950 4.831 4.666 4.955 0.005 8 0 "[ . 1 . 2]" 1
390 1 17 ILE HB 1 61 TYR H . . 4.750 4.612 4.397 4.751 0.001 13 0 "[ . 1 . 2]" 1
391 1 17 ILE HB 1 61 TYR HB2 . . 3.980 2.363 2.129 2.570 . 0 0 "[ . 1 . 2]" 1
392 1 17 ILE HB 1 61 TYR QB . . 3.350 2.326 2.107 2.515 . 0 0 "[ . 1 . 2]" 1
393 1 17 ILE HB 1 61 TYR HB3 . . 3.980 3.482 3.284 3.661 . 0 0 "[ . 1 . 2]" 1
394 1 17 ILE MD 1 30 TYR QD . . 3.810 3.313 3.061 3.728 . 0 0 "[ . 1 . 2]" 1
395 1 17 ILE MD 1 57 PHE H . . 4.550 4.454 4.347 4.542 . 0 0 "[ . 1 . 2]" 1
396 1 17 ILE MD 1 57 PHE HA . . 3.840 3.462 3.311 3.628 . 0 0 "[ . 1 . 2]" 1
397 1 17 ILE MD 1 57 PHE HB3 . . 3.540 2.036 1.943 2.123 . 0 0 "[ . 1 . 2]" 1
398 1 17 ILE MD 1 57 PHE QD . . 3.820 3.443 3.270 3.597 . 0 0 "[ . 1 . 2]" 1
399 1 17 ILE MD 1 57 PHE QE . . 5.500 5.314 5.143 5.469 . 0 0 "[ . 1 . 2]" 1
400 1 17 ILE MD 1 58 LYS H . . 3.370 2.638 2.420 2.880 . 0 0 "[ . 1 . 2]" 1
401 1 17 ILE MD 1 58 LYS HA . . 2.900 1.871 1.805 1.920 . 0 0 "[ . 1 . 2]" 1
402 1 17 ILE MD 1 59 GLN H . . 4.320 4.243 4.186 4.324 0.004 11 0 "[ . 1 . 2]" 1
403 1 17 ILE MD 1 61 TYR H . . 3.950 2.995 2.686 3.303 . 0 0 "[ . 1 . 2]" 1
404 1 17 ILE MD 1 61 TYR HA . . 4.470 4.121 3.892 4.376 . 0 0 "[ . 1 . 2]" 1
405 1 17 ILE MD 1 61 TYR HB2 . . 3.680 2.136 1.979 2.478 . 0 0 "[ . 1 . 2]" 1
406 1 17 ILE MD 1 61 TYR QB . . 2.890 1.897 1.785 2.044 . 0 0 "[ . 1 . 2]" 1
407 1 17 ILE MD 1 61 TYR HB3 . . 3.680 2.144 1.980 2.378 . 0 0 "[ . 1 . 2]" 1
408 1 17 ILE MD 1 62 TRP H . . 4.120 4.038 3.834 4.123 0.003 20 0 "[ . 1 . 2]" 1
409 1 17 ILE MD 1 62 TRP HD1 . . 5.500 4.989 4.862 5.127 . 0 0 "[ . 1 . 2]" 1
410 1 17 ILE MD 1 62 TRP HE1 . . 5.500 5.350 5.145 5.504 0.004 12 0 "[ . 1 . 2]" 1
411 1 17 ILE HG12 1 17 ILE MG . . 3.330 2.266 2.085 2.353 . 0 0 "[ . 1 . 2]" 1
412 1 17 ILE HG12 1 18 LEU H . . 4.830 4.683 4.513 4.827 . 0 0 "[ . 1 . 2]" 1
413 1 17 ILE HG12 1 30 TYR HB2 . . 4.510 4.075 3.890 4.291 . 0 0 "[ . 1 . 2]" 1
414 1 17 ILE HG12 1 30 TYR HB3 . . 4.180 2.845 2.703 3.091 . 0 0 "[ . 1 . 2]" 1
415 1 17 ILE HG12 1 30 TYR QD . . 4.390 3.921 3.633 4.127 . 0 0 "[ . 1 . 2]" 1
416 1 17 ILE HG12 1 32 ILE HA . . 4.820 4.384 4.194 4.575 . 0 0 "[ . 1 . 2]" 1
417 1 17 ILE HG12 1 32 ILE MG . . 5.480 5.096 4.873 5.245 . 0 0 "[ . 1 . 2]" 1
418 1 17 ILE HG12 1 54 TYR QE . . 4.670 4.015 3.809 4.282 . 0 0 "[ . 1 . 2]" 1
419 1 17 ILE HG12 1 57 PHE HB2 . . 4.960 4.664 4.423 4.862 . 0 0 "[ . 1 . 2]" 1
420 1 17 ILE HG12 1 57 PHE HB3 . . 4.350 3.564 3.384 3.823 . 0 0 "[ . 1 . 2]" 1
421 1 17 ILE HG12 1 57 PHE QD . . 4.730 4.313 4.053 4.623 . 0 0 "[ . 1 . 2]" 1
422 1 17 ILE HG12 1 58 LYS H . . 5.120 4.904 4.685 5.123 0.003 16 0 "[ . 1 . 2]" 1
423 1 17 ILE HG12 1 58 LYS HA . . 4.630 4.103 3.932 4.278 . 0 0 "[ . 1 . 2]" 1
424 1 17 ILE HG12 1 61 TYR QB . . 5.180 4.170 3.937 4.378 . 0 0 "[ . 1 . 2]" 1
425 1 17 ILE HG13 1 17 ILE MG . . 3.480 3.179 3.150 3.196 . 0 0 "[ . 1 . 2]" 1
426 1 17 ILE HG13 1 18 LEU H . . 4.920 4.877 4.827 4.922 0.002 1 0 "[ . 1 . 2]" 1
427 1 17 ILE HG13 1 32 ILE HA . . 4.940 4.835 4.641 4.939 . 0 0 "[ . 1 . 2]" 1
428 1 17 ILE HG13 1 32 ILE HG12 . . 4.940 4.647 4.342 4.767 . 0 0 "[ . 1 . 2]" 1
429 1 17 ILE HG13 1 32 ILE MG . . 5.260 5.141 4.958 5.251 . 0 0 "[ . 1 . 2]" 1
430 1 17 ILE HG13 1 57 PHE HB2 . . 3.940 3.860 3.627 3.944 0.004 7 0 "[ . 1 . 2]" 1
431 1 17 ILE HG13 1 57 PHE HB3 . . 3.970 2.388 2.264 2.520 . 0 0 "[ . 1 . 2]" 1
432 1 17 ILE HG13 1 57 PHE QD . . 4.770 2.653 2.420 2.945 . 0 0 "[ . 1 . 2]" 1
433 1 17 ILE HG13 1 58 LYS HA . . 4.930 4.435 4.369 4.552 . 0 0 "[ . 1 . 2]" 1
434 1 17 ILE HG13 1 61 TYR QB . . 4.820 3.834 3.624 4.032 . 0 0 "[ . 1 . 2]" 1
435 1 17 ILE MG 1 18 LEU H . . 3.510 3.216 2.981 3.369 . 0 0 "[ . 1 . 2]" 1
436 1 17 ILE MG 1 18 LEU HA . . 4.440 4.221 4.121 4.341 . 0 0 "[ . 1 . 2]" 1
437 1 17 ILE MG 1 18 LEU HB2 . . 4.710 4.432 4.307 4.547 . 0 0 "[ . 1 . 2]" 1
438 1 17 ILE MG 1 18 LEU HG . . 5.170 4.890 4.693 4.979 . 0 0 "[ . 1 . 2]" 1
439 1 17 ILE MG 1 19 ASN H . . 3.300 2.670 2.446 2.842 . 0 0 "[ . 1 . 2]" 1
440 1 17 ILE MG 1 19 ASN HA . . 4.800 3.116 2.978 3.259 . 0 0 "[ . 1 . 2]" 1
441 1 17 ILE MG 1 20 HIS H . . 4.660 4.408 4.314 4.483 . 0 0 "[ . 1 . 2]" 1
442 1 17 ILE MG 1 20 HIS HA . . 4.640 4.174 4.030 4.279 . 0 0 "[ . 1 . 2]" 1
443 1 17 ILE MG 1 20 HIS HB2 . . 4.840 4.543 4.361 4.708 . 0 0 "[ . 1 . 2]" 1
444 1 17 ILE MG 1 20 HIS HB3 . . 3.520 3.470 3.288 3.529 0.009 3 0 "[ . 1 . 2]" 1
445 1 17 ILE MG 1 30 TYR HA . . 4.090 3.624 3.455 3.839 . 0 0 "[ . 1 . 2]" 1
446 1 17 ILE MG 1 30 TYR HB3 . . 3.280 2.631 2.301 2.888 . 0 0 "[ . 1 . 2]" 1
447 1 17 ILE MG 1 30 TYR QD . . 2.910 2.446 2.219 2.703 . 0 0 "[ . 1 . 2]" 1
448 1 17 ILE MG 1 30 TYR QE . . 4.350 3.958 3.677 4.136 . 0 0 "[ . 1 . 2]" 1
449 1 17 ILE MG 1 31 LEU H . . 3.750 3.537 3.384 3.729 . 0 0 "[ . 1 . 2]" 1
450 1 17 ILE MG 1 32 ILE HA . . 4.910 4.576 4.319 4.758 . 0 0 "[ . 1 . 2]" 1
451 1 17 ILE MG 1 44 TRP HH2 . . 5.500 5.400 5.229 5.501 0.001 14 0 "[ . 1 . 2]" 1
452 1 17 ILE MG 1 54 TYR QE . . 5.500 5.220 4.933 5.417 . 0 0 "[ . 1 . 2]" 1
453 1 17 ILE MG 1 58 LYS HA . . 4.470 3.997 3.850 4.141 . 0 0 "[ . 1 . 2]" 1
454 1 18 LEU H 1 18 LEU HB2 . . 3.760 2.686 2.610 2.759 . 0 0 "[ . 1 . 2]" 1
455 1 18 LEU H 1 18 LEU HB3 . . 3.770 3.574 3.562 3.584 . 0 0 "[ . 1 . 2]" 1
456 1 18 LEU H 1 18 LEU MD1 . . 3.900 3.651 3.558 3.731 . 0 0 "[ . 1 . 2]" 1
457 1 18 LEU H 1 18 LEU MD2 . . 3.780 2.716 2.474 2.908 . 0 0 "[ . 1 . 2]" 1
458 1 18 LEU H 1 18 LEU HG . . 3.460 2.034 1.898 2.135 . 0 0 "[ . 1 . 2]" 1
459 1 18 LEU H 1 19 ASN H . . 3.320 2.817 2.672 2.932 . 0 0 "[ . 1 . 2]" 1
460 1 18 LEU H 1 31 LEU H . . 5.080 4.903 4.748 5.086 0.006 10 0 "[ . 1 . 2]" 1
461 1 18 LEU H 1 31 LEU MD1 . . 4.880 4.843 4.649 4.891 0.011 10 0 "[ . 1 . 2]" 1
462 1 18 LEU H 1 31 LEU QD . . 4.150 4.148 4.106 4.156 0.006 7 0 "[ . 1 . 2]" 1
463 1 18 LEU H 1 31 LEU MD2 . . 4.880 4.514 4.420 4.648 . 0 0 "[ . 1 . 2]" 1
464 1 18 LEU H 1 31 LEU HG . . 4.480 3.693 3.619 3.738 . 0 0 "[ . 1 . 2]" 1
465 1 18 LEU H 1 32 ILE HA . . 3.880 3.664 3.518 3.780 . 0 0 "[ . 1 . 2]" 1
466 1 18 LEU H 1 33 LYS H . . 4.300 3.870 3.703 4.045 . 0 0 "[ . 1 . 2]" 1
467 1 18 LEU HA 1 18 LEU MD1 . . 3.900 3.842 3.784 3.901 0.001 1 0 "[ . 1 . 2]" 1
468 1 18 LEU HA 1 18 LEU MD2 . . 2.820 2.063 1.969 2.196 . 0 0 "[ . 1 . 2]" 1
469 1 18 LEU HA 1 18 LEU HG . . 3.900 3.379 3.272 3.471 . 0 0 "[ . 1 . 2]" 1
470 1 18 LEU HA 1 33 LYS HB2 . . 5.500 5.109 4.819 5.318 . 0 0 "[ . 1 . 2]" 1
471 1 18 LEU HA 1 39 TYR QE . . 4.710 3.874 3.395 4.340 . 0 0 "[ . 1 . 2]" 1
472 1 18 LEU HB2 1 18 LEU MD1 . . 3.160 2.400 2.303 2.477 . 0 0 "[ . 1 . 2]" 1
473 1 18 LEU HB2 1 19 ASN H . . 3.900 2.377 2.282 2.489 . 0 0 "[ . 1 . 2]" 1
474 1 18 LEU HB2 1 19 ASN HB2 . . 4.580 3.769 3.621 3.873 . 0 0 "[ . 1 . 2]" 1
475 1 18 LEU HB2 1 19 ASN HB3 . . 4.730 4.163 4.063 4.287 . 0 0 "[ . 1 . 2]" 1
476 1 18 LEU HB2 1 31 LEU HB2 . . 4.420 3.586 3.456 3.793 . 0 0 "[ . 1 . 2]" 1
477 1 18 LEU HB2 1 31 LEU QB . . 3.770 2.140 1.984 2.356 . 0 0 "[ . 1 . 2]" 1
478 1 18 LEU HB2 1 31 LEU HB3 . . 4.420 2.157 1.996 2.381 . 0 0 "[ . 1 . 2]" 1
479 1 18 LEU HB2 1 31 LEU MD1 . . 4.150 3.709 3.681 3.770 . 0 0 "[ . 1 . 2]" 1
480 1 18 LEU HB2 1 31 LEU QD . . 3.340 2.176 2.079 2.410 . 0 0 "[ . 1 . 2]" 1
481 1 18 LEU HB2 1 31 LEU MD2 . . 4.150 2.191 2.089 2.441 . 0 0 "[ . 1 . 2]" 1
482 1 18 LEU HB2 1 31 LEU HG . . 3.850 2.016 1.991 2.134 . 0 0 "[ . 1 . 2]" 1
483 1 18 LEU HB2 1 39 TYR QE . . 4.500 3.999 3.465 4.496 . 0 0 "[ . 1 . 2]" 1
484 1 18 LEU HB3 1 18 LEU MD1 . . 3.160 2.225 2.140 2.310 . 0 0 "[ . 1 . 2]" 1
485 1 18 LEU HB3 1 18 LEU MD2 . . 3.430 2.407 2.313 2.480 . 0 0 "[ . 1 . 2]" 1
486 1 18 LEU HB3 1 19 ASN H . . 4.030 3.630 3.504 3.753 . 0 0 "[ . 1 . 2]" 1
487 1 18 LEU HB3 1 19 ASN HB2 . . 4.740 3.851 3.722 3.974 . 0 0 "[ . 1 . 2]" 1
488 1 18 LEU HB3 1 31 LEU MD1 . . 4.750 4.697 4.608 4.756 0.006 10 0 "[ . 1 . 2]" 1
489 1 18 LEU HB3 1 31 LEU QD . . 3.560 2.649 2.413 3.064 . 0 0 "[ . 1 . 2]" 1
490 1 18 LEU HB3 1 31 LEU MD2 . . 4.750 2.665 2.420 3.102 . 0 0 "[ . 1 . 2]" 1
491 1 18 LEU HB3 1 31 LEU HG . . 4.390 3.313 3.219 3.395 . 0 0 "[ . 1 . 2]" 1
492 1 18 LEU HB3 1 39 TYR QE . . 4.250 2.654 2.065 3.388 . 0 0 "[ . 1 . 2]" 1
493 1 18 LEU MD1 1 19 ASN H . . 4.810 4.381 4.256 4.496 . 0 0 "[ . 1 . 2]" 1
494 1 18 LEU MD1 1 19 ASN HB2 . . 5.210 5.100 4.991 5.227 0.017 10 0 "[ . 1 . 2]" 1
495 1 18 LEU MD1 1 19 ASN HB3 . . 5.500 5.499 5.476 5.514 0.014 10 0 "[ . 1 . 2]" 1
496 1 18 LEU MD1 1 31 LEU MD1 . . 3.140 2.678 2.522 2.856 . 0 0 "[ . 1 . 2]" 1
497 1 18 LEU MD1 1 31 LEU QD . . 2.710 2.088 1.912 2.405 . 0 0 "[ . 1 . 2]" 1
498 1 18 LEU MD1 1 31 LEU MD2 . . 3.140 2.188 1.954 2.587 . 0 0 "[ . 1 . 2]" 1
499 1 18 LEU MD1 1 32 ILE HA . . 4.890 4.692 4.514 4.902 0.012 10 0 "[ . 1 . 2]" 1
500 1 18 LEU MD1 1 33 LYS H . . 4.440 4.092 3.950 4.448 0.008 10 0 "[ . 1 . 2]" 1
501 1 18 LEU MD1 1 33 LYS HA . . 4.010 3.209 2.948 3.427 . 0 0 "[ . 1 . 2]" 1
502 1 18 LEU MD1 1 33 LYS HB2 . . 3.380 2.124 1.945 2.360 . 0 0 "[ . 1 . 2]" 1
503 1 18 LEU MD1 1 33 LYS HB3 . . 3.790 3.554 3.361 3.752 . 0 0 "[ . 1 . 2]" 1
504 1 18 LEU MD1 1 33 LYS QD . . 4.620 3.236 2.240 4.279 . 0 0 "[ . 1 . 2]" 1
505 1 18 LEU MD1 1 33 LYS QG . . 4.130 3.011 2.585 3.632 . 0 0 "[ . 1 . 2]" 1
506 1 18 LEU MD1 1 39 TYR HA . . 4.460 3.368 3.074 3.728 . 0 0 "[ . 1 . 2]" 1
507 1 18 LEU MD1 1 39 TYR QD . . 3.550 2.502 2.065 3.165 . 0 0 "[ . 1 . 2]" 1
508 1 18 LEU MD1 1 39 TYR QE . . 3.400 2.160 1.861 2.695 . 0 0 "[ . 1 . 2]" 1
509 1 18 LEU MD1 1 42 ALA H . . 5.100 4.326 3.806 4.647 . 0 0 "[ . 1 . 2]" 1
510 1 18 LEU MD1 1 42 ALA MB . . 2.930 1.931 1.632 2.240 . 0 0 "[ . 1 . 2]" 1
511 1 18 LEU MD1 1 43 SER H . . 4.680 4.385 4.031 4.633 . 0 0 "[ . 1 . 2]" 1
512 1 18 LEU MD2 1 19 ASN H . . 4.570 4.453 4.373 4.543 . 0 0 "[ . 1 . 2]" 1
513 1 18 LEU MD2 1 33 LYS H . . 4.310 3.804 3.501 4.085 . 0 0 "[ . 1 . 2]" 1
514 1 18 LEU MD2 1 33 LYS HA . . 4.740 4.161 3.884 4.369 . 0 0 "[ . 1 . 2]" 1
515 1 18 LEU MD2 1 33 LYS HB2 . . 3.840 2.110 1.940 2.328 . 0 0 "[ . 1 . 2]" 1
516 1 18 LEU MD2 1 33 LYS HB3 . . 3.510 2.486 2.119 2.765 . 0 0 "[ . 1 . 2]" 1
517 1 18 LEU MD2 1 33 LYS QE . . 4.480 3.378 1.929 4.072 . 0 0 "[ . 1 . 2]" 1
518 1 18 LEU MD2 1 39 TYR QD . . 3.940 2.512 2.014 3.487 . 0 0 "[ . 1 . 2]" 1
519 1 18 LEU MD2 1 39 TYR QE . . 3.190 2.032 1.824 2.571 . 0 0 "[ . 1 . 2]" 1
520 1 18 LEU MD2 1 42 ALA MB . . 4.020 3.681 3.387 3.915 . 0 0 "[ . 1 . 2]" 1
521 1 18 LEU HG 1 19 ASN H . . 4.130 3.965 3.818 4.077 . 0 0 "[ . 1 . 2]" 1
522 1 18 LEU HG 1 31 LEU MD1 . . 4.640 3.953 3.719 4.183 . 0 0 "[ . 1 . 2]" 1
523 1 18 LEU HG 1 31 LEU QD . . 4.070 3.467 3.328 3.641 . 0 0 "[ . 1 . 2]" 1
524 1 18 LEU HG 1 31 LEU MD2 . . 4.640 3.841 3.655 4.004 . 0 0 "[ . 1 . 2]" 1
525 1 18 LEU HG 1 32 ILE HA . . 4.000 3.896 3.703 3.998 . 0 0 "[ . 1 . 2]" 1
526 1 18 LEU HG 1 33 LYS H . . 3.810 3.372 3.183 3.654 . 0 0 "[ . 1 . 2]" 1
527 1 18 LEU HG 1 39 TYR QE . . 4.620 4.035 3.634 4.624 0.004 8 0 "[ . 1 . 2]" 1
528 1 18 LEU HG 1 42 ALA MB . . 4.730 3.662 3.218 3.868 . 0 0 "[ . 1 . 2]" 1
529 1 19 ASN H 1 19 ASN HB2 . . 4.030 3.257 3.188 3.331 . 0 0 "[ . 1 . 2]" 1
530 1 19 ASN H 1 19 ASN HB3 . . 4.160 3.269 3.217 3.313 . 0 0 "[ . 1 . 2]" 1
531 1 19 ASN H 1 20 HIS H . . 4.680 4.359 4.354 4.367 . 0 0 "[ . 1 . 2]" 1
532 1 19 ASN H 1 20 HIS HA . . 5.140 4.624 4.612 4.644 . 0 0 "[ . 1 . 2]" 1
533 1 19 ASN H 1 30 TYR HA . . 4.970 4.679 4.539 4.786 . 0 0 "[ . 1 . 2]" 1
534 1 19 ASN H 1 30 TYR QD . . 5.500 5.266 5.101 5.404 . 0 0 "[ . 1 . 2]" 1
535 1 19 ASN H 1 31 LEU H . . 3.710 3.101 2.991 3.309 . 0 0 "[ . 1 . 2]" 1
536 1 19 ASN H 1 31 LEU HA . . 4.710 4.625 4.569 4.683 . 0 0 "[ . 1 . 2]" 1
537 1 19 ASN H 1 31 LEU HB2 . . 3.910 3.493 3.406 3.631 . 0 0 "[ . 1 . 2]" 1
538 1 19 ASN H 1 31 LEU QB . . 3.280 1.896 1.887 1.943 . 0 0 "[ . 1 . 2]" 1
539 1 19 ASN H 1 31 LEU HB3 . . 3.910 1.904 1.896 1.951 . 0 0 "[ . 1 . 2]" 1
540 1 19 ASN H 1 31 LEU MD1 . . 4.710 4.672 4.616 4.706 . 0 0 "[ . 1 . 2]" 1
541 1 19 ASN H 1 31 LEU QD . . 3.870 3.435 3.300 3.578 . 0 0 "[ . 1 . 2]" 1
542 1 19 ASN H 1 31 LEU MD2 . . 4.710 3.536 3.377 3.719 . 0 0 "[ . 1 . 2]" 1
543 1 19 ASN H 1 31 LEU HG . . 5.390 3.706 3.552 3.820 . 0 0 "[ . 1 . 2]" 1
544 1 19 ASN H 1 44 TRP HH2 . . 4.680 4.486 4.351 4.680 0.000 10 0 "[ . 1 . 2]" 1
545 1 19 ASN HA 1 20 HIS H . . 3.460 2.614 2.536 2.648 . 0 0 "[ . 1 . 2]" 1
546 1 19 ASN HB2 1 20 HIS H . . 4.600 3.718 3.689 3.782 . 0 0 "[ . 1 . 2]" 1
547 1 19 ASN HB2 1 31 LEU H . . 5.500 5.279 5.152 5.420 . 0 0 "[ . 1 . 2]" 1
548 1 19 ASN HB2 1 31 LEU HB2 . . 4.600 4.589 4.451 4.608 0.008 13 0 "[ . 1 . 2]" 1
549 1 19 ASN HB2 1 31 LEU QB . . 3.990 3.685 3.540 3.770 . 0 0 "[ . 1 . 2]" 1
550 1 19 ASN HB2 1 31 LEU HB3 . . 4.600 3.883 3.717 4.014 . 0 0 "[ . 1 . 2]" 1
551 1 19 ASN HB2 1 31 LEU QD . . 3.710 3.374 3.128 3.602 . 0 0 "[ . 1 . 2]" 1
552 1 19 ASN HB2 1 44 TRP HH2 . . 4.420 4.313 4.119 4.420 0.000 7 0 "[ . 1 . 2]" 1
553 1 19 ASN HB2 1 44 TRP HZ2 . . 4.730 4.555 4.168 4.733 0.003 16 0 "[ . 1 . 2]" 1
554 1 19 ASN HB3 1 20 HIS H . . 4.520 2.841 2.715 3.077 . 0 0 "[ . 1 . 2]" 1
555 1 19 ASN HB3 1 31 LEU H . . 4.770 4.139 3.975 4.243 . 0 0 "[ . 1 . 2]" 1
556 1 19 ASN HB3 1 31 LEU HB2 . . 4.250 3.464 3.112 3.616 . 0 0 "[ . 1 . 2]" 1
557 1 19 ASN HB3 1 31 LEU QB . . 3.670 3.019 2.694 3.115 . 0 0 "[ . 1 . 2]" 1
558 1 19 ASN HB3 1 31 LEU HB3 . . 4.250 3.327 2.951 3.470 . 0 0 "[ . 1 . 2]" 1
559 1 19 ASN HB3 1 31 LEU QD . . 3.740 3.178 2.843 3.351 . 0 0 "[ . 1 . 2]" 1
560 1 19 ASN HB3 1 31 LEU HG . . 5.500 5.117 4.721 5.283 . 0 0 "[ . 1 . 2]" 1
561 1 19 ASN HB3 1 44 TRP HH2 . . 4.090 2.568 2.364 2.692 . 0 0 "[ . 1 . 2]" 1
562 1 19 ASN HB3 1 44 TRP HZ2 . . 4.140 3.122 2.660 3.271 . 0 0 "[ . 1 . 2]" 1
563 1 19 ASN QD 1 44 TRP HH2 . . 5.340 3.928 2.231 5.276 . 0 0 "[ . 1 . 2]" 1
564 1 20 HIS H 1 44 TRP HH2 . . 4.520 3.111 2.913 3.312 . 0 0 "[ . 1 . 2]" 1
565 1 20 HIS HA 1 20 HIS HD2 . . 4.720 4.379 4.255 4.506 . 0 0 "[ . 1 . 2]" 1
566 1 20 HIS HA 1 21 SER H . . 3.250 2.292 2.215 2.364 . 0 0 "[ . 1 . 2]" 1
567 1 20 HIS HA 1 21 SER HB2 . . 4.750 4.644 4.443 4.749 . 0 0 "[ . 1 . 2]" 1
568 1 20 HIS HA 1 21 SER HB3 . . 4.870 4.234 4.104 4.347 . 0 0 "[ . 1 . 2]" 1
569 1 20 HIS HA 1 28 VAL MG1 . . 4.590 4.363 4.162 4.550 . 0 0 "[ . 1 . 2]" 1
570 1 20 HIS HA 1 29 HIS H . . 5.020 4.803 4.636 4.974 . 0 0 "[ . 1 . 2]" 1
571 1 20 HIS HA 1 30 TYR HA . . 3.380 2.230 2.101 2.353 . 0 0 "[ . 1 . 2]" 1
572 1 20 HIS HA 1 30 TYR QD . . 3.910 3.523 3.254 3.789 . 0 0 "[ . 1 . 2]" 1
573 1 20 HIS HA 1 30 TYR QE . . 5.190 4.882 4.632 5.065 . 0 0 "[ . 1 . 2]" 1
574 1 20 HIS HA 1 31 LEU H . . 3.880 2.838 2.621 2.960 . 0 0 "[ . 1 . 2]" 1
575 1 20 HIS HA 1 44 TRP HH2 . . 3.360 2.731 2.490 2.903 . 0 0 "[ . 1 . 2]" 1
576 1 20 HIS HA 1 44 TRP HZ2 . . 5.500 5.145 4.919 5.323 . 0 0 "[ . 1 . 2]" 1
577 1 20 HIS HA 1 44 TRP HZ3 . . 4.400 2.069 1.999 2.288 . 0 0 "[ . 1 . 2]" 1
578 1 20 HIS HB2 1 20 HIS HD2 . . 3.820 2.789 2.731 2.862 . 0 0 "[ . 1 . 2]" 1
579 1 20 HIS HB2 1 21 SER H . . 3.540 2.829 2.640 3.018 . 0 0 "[ . 1 . 2]" 1
580 1 20 HIS HB2 1 22 VAL QG . . 5.440 4.884 4.462 5.407 . 0 0 "[ . 1 . 2]" 1
581 1 20 HIS HB2 1 28 VAL MG1 . . 3.490 2.983 2.728 3.168 . 0 0 "[ . 1 . 2]" 1
582 1 20 HIS HB2 1 28 VAL MG2 . . 5.320 5.055 4.806 5.288 . 0 0 "[ . 1 . 2]" 1
583 1 20 HIS HB2 1 30 TYR HA . . 4.520 3.390 3.105 3.586 . 0 0 "[ . 1 . 2]" 1
584 1 20 HIS HB2 1 30 TYR QD . . 3.690 3.018 2.698 3.319 . 0 0 "[ . 1 . 2]" 1
585 1 20 HIS HB2 1 30 TYR QE . . 3.760 3.189 2.939 3.501 . 0 0 "[ . 1 . 2]" 1
586 1 20 HIS HB2 1 62 TRP HZ2 . . 5.010 4.203 3.601 4.709 . 0 0 "[ . 1 . 2]" 1
587 1 20 HIS HB3 1 20 HIS HE1 . . 4.840 4.772 4.743 4.809 . 0 0 "[ . 1 . 2]" 1
588 1 20 HIS HB3 1 21 SER H . . 4.230 4.095 3.981 4.187 . 0 0 "[ . 1 . 2]" 1
589 1 20 HIS HB3 1 28 VAL MG1 . . 4.510 4.309 4.041 4.517 0.007 10 0 "[ . 1 . 2]" 1
590 1 20 HIS HB3 1 30 TYR HA . . 4.530 3.690 3.479 3.939 . 0 0 "[ . 1 . 2]" 1
591 1 20 HIS HB3 1 30 TYR QD . . 3.450 2.593 2.288 3.089 . 0 0 "[ . 1 . 2]" 1
592 1 20 HIS HB3 1 30 TYR QE . . 3.770 3.172 2.878 3.580 . 0 0 "[ . 1 . 2]" 1
593 1 20 HIS HB3 1 31 LEU H . . 4.850 4.657 4.474 4.840 . 0 0 "[ . 1 . 2]" 1
594 1 20 HIS HD2 1 21 SER H . . 4.380 3.557 3.173 4.049 . 0 0 "[ . 1 . 2]" 1
595 1 20 HIS HD2 1 21 SER HA . . 4.260 3.422 2.930 3.768 . 0 0 "[ . 1 . 2]" 1
596 1 20 HIS HD2 1 22 VAL H . . 4.550 4.020 3.640 4.546 . 0 0 "[ . 1 . 2]" 1
597 1 20 HIS HD2 1 22 VAL HB . . 5.500 4.823 4.181 5.397 . 0 0 "[ . 1 . 2]" 1
598 1 20 HIS HD2 1 22 VAL QG . . 3.740 3.033 2.471 3.596 . 0 0 "[ . 1 . 2]" 1
599 1 20 HIS HD2 1 28 VAL MG1 . . 3.590 3.010 2.738 3.218 . 0 0 "[ . 1 . 2]" 1
600 1 20 HIS HD2 1 28 VAL MG2 . . 4.310 4.031 3.686 4.266 . 0 0 "[ . 1 . 2]" 1
601 1 20 HIS HD2 1 62 TRP HH2 . . 4.200 3.582 2.983 4.037 . 0 0 "[ . 1 . 2]" 1
602 1 20 HIS HD2 1 62 TRP HZ2 . . 4.660 4.121 3.597 4.568 . 0 0 "[ . 1 . 2]" 1
603 1 20 HIS HE1 1 62 TRP HH2 . . 4.370 3.802 3.013 4.370 0.000 8 0 "[ . 1 . 2]" 1
604 1 20 HIS HE1 1 62 TRP HZ3 . . 4.390 3.703 2.733 4.297 . 0 0 "[ . 1 . 2]" 1
605 1 21 SER H 1 21 SER HB2 . . 4.030 3.573 3.478 3.693 . 0 0 "[ . 1 . 2]" 1
606 1 21 SER H 1 21 SER HB3 . . 3.820 2.865 2.742 2.982 . 0 0 "[ . 1 . 2]" 1
607 1 21 SER H 1 22 VAL H . . 4.630 4.160 3.982 4.316 . 0 0 "[ . 1 . 2]" 1
608 1 21 SER H 1 22 VAL QG . . 4.950 4.344 3.733 4.763 . 0 0 "[ . 1 . 2]" 1
609 1 21 SER H 1 28 VAL MG1 . . 3.770 3.447 3.218 3.706 . 0 0 "[ . 1 . 2]" 1
610 1 21 SER H 1 28 VAL MG2 . . 5.500 5.372 5.184 5.481 . 0 0 "[ . 1 . 2]" 1
611 1 21 SER H 1 29 HIS H . . 3.620 2.931 2.794 3.072 . 0 0 "[ . 1 . 2]" 1
612 1 21 SER H 1 29 HIS HB2 . . 3.970 3.226 2.950 3.456 . 0 0 "[ . 1 . 2]" 1
613 1 21 SER H 1 29 HIS HB3 . . 4.820 4.342 4.029 4.536 . 0 0 "[ . 1 . 2]" 1
614 1 21 SER H 1 30 TYR HA . . 3.970 3.580 3.466 3.821 . 0 0 "[ . 1 . 2]" 1
615 1 21 SER H 1 30 TYR QD . . 5.130 4.887 4.656 5.063 . 0 0 "[ . 1 . 2]" 1
616 1 21 SER H 1 31 LEU H . . 4.880 4.535 4.373 4.762 . 0 0 "[ . 1 . 2]" 1
617 1 21 SER H 1 44 TRP HH2 . . 3.710 3.513 3.326 3.707 . 0 0 "[ . 1 . 2]" 1
618 1 21 SER H 1 44 TRP HZ3 . . 4.290 2.568 2.287 2.875 . 0 0 "[ . 1 . 2]" 1
619 1 21 SER HA 1 22 VAL H . . 2.870 2.174 2.139 2.292 . 0 0 "[ . 1 . 2]" 1
620 1 21 SER HA 1 22 VAL HB . . 5.040 4.714 4.573 4.834 . 0 0 "[ . 1 . 2]" 1
621 1 21 SER HA 1 22 VAL QG . . 3.780 3.463 3.321 3.648 . 0 0 "[ . 1 . 2]" 1
622 1 21 SER HB2 1 22 VAL H . . 4.270 4.023 3.663 4.174 . 0 0 "[ . 1 . 2]" 1
623 1 21 SER HB2 1 22 VAL QG . . 5.430 5.214 5.052 5.405 . 0 0 "[ . 1 . 2]" 1
624 1 21 SER HB2 1 29 HIS HB2 . . 5.320 4.923 4.610 5.260 . 0 0 "[ . 1 . 2]" 1
625 1 21 SER HB2 1 44 TRP HH2 . . 3.550 3.262 2.982 3.447 . 0 0 "[ . 1 . 2]" 1
626 1 21 SER HB2 1 44 TRP HZ2 . . 4.610 3.963 3.768 4.242 . 0 0 "[ . 1 . 2]" 1
627 1 21 SER HB2 1 44 TRP HZ3 . . 4.620 4.360 3.873 4.608 . 0 0 "[ . 1 . 2]" 1
628 1 21 SER HB3 1 22 VAL H . . 4.410 4.268 4.046 4.405 . 0 0 "[ . 1 . 2]" 1
629 1 21 SER HB3 1 29 HIS H . . 4.800 4.519 4.318 4.685 . 0 0 "[ . 1 . 2]" 1
630 1 21 SER HB3 1 29 HIS HB2 . . 4.090 3.262 2.928 3.648 . 0 0 "[ . 1 . 2]" 1
631 1 21 SER HB3 1 29 HIS HB3 . . 4.820 4.508 4.118 4.805 . 0 0 "[ . 1 . 2]" 1
632 1 21 SER HB3 1 30 TYR HA . . 5.500 5.464 5.317 5.508 0.008 8 0 "[ . 1 . 2]" 1
633 1 21 SER HB3 1 44 TRP HH2 . . 3.570 3.229 3.020 3.465 . 0 0 "[ . 1 . 2]" 1
634 1 21 SER HB3 1 44 TRP HZ2 . . 4.890 4.081 3.853 4.502 . 0 0 "[ . 1 . 2]" 1
635 1 21 SER HB3 1 44 TRP HZ3 . . 4.350 3.320 3.150 3.525 . 0 0 "[ . 1 . 2]" 1
636 1 22 VAL H 1 22 VAL HB . . 3.290 2.853 2.529 3.228 . 0 0 "[ . 1 . 2]" 1
637 1 22 VAL H 1 22 VAL MG1 . . 3.950 2.972 1.888 3.878 . 0 0 "[ . 1 . 2]" 1
638 1 22 VAL H 1 22 VAL QG . . 3.200 2.235 1.882 2.726 . 0 0 "[ . 1 . 2]" 1
639 1 22 VAL H 1 22 VAL MG2 . . 3.950 3.073 2.271 3.779 . 0 0 "[ . 1 . 2]" 1
640 1 22 VAL H 1 23 ASP H . . 4.410 4.274 4.127 4.403 . 0 0 "[ . 1 . 2]" 1
641 1 22 VAL HB 1 23 ASP H . . 4.550 4.273 4.086 4.437 . 0 0 "[ . 1 . 2]" 1
642 1 22 VAL HB 1 26 GLY HA2 . . 5.190 4.890 4.658 5.124 . 0 0 "[ . 1 . 2]" 1
643 1 22 VAL HB 1 28 VAL MG2 . . 4.530 3.278 1.936 4.481 . 0 0 "[ . 1 . 2]" 1
644 1 22 VAL QG 1 23 ASP H . . 3.300 2.835 2.578 3.185 . 0 0 "[ . 1 . 2]" 1
645 1 22 VAL QG 1 23 ASP QB . . 5.060 3.991 3.704 4.463 . 0 0 "[ . 1 . 2]" 1
646 1 22 VAL QG 1 26 GLY H . . 3.640 3.071 2.832 3.323 . 0 0 "[ . 1 . 2]" 1
647 1 22 VAL QG 1 26 GLY HA2 . . 3.020 2.334 2.216 2.481 . 0 0 "[ . 1 . 2]" 1
648 1 22 VAL QG 1 26 GLY HA3 . . 3.720 3.570 3.433 3.722 0.002 10 0 "[ . 1 . 2]" 1
649 1 22 VAL QG 1 27 HIS H . . 3.970 3.543 3.067 3.878 . 0 0 "[ . 1 . 2]" 1
650 1 22 VAL QG 1 27 HIS HA . . 4.210 3.935 3.498 4.184 . 0 0 "[ . 1 . 2]" 1
651 1 22 VAL QG 1 27 HIS QB . . 4.800 4.282 3.986 4.665 . 0 0 "[ . 1 . 2]" 1
652 1 22 VAL QG 1 28 VAL H . . 4.680 3.475 3.162 3.762 . 0 0 "[ . 1 . 2]" 1
653 1 22 VAL QG 1 28 VAL HB . . 4.770 4.088 3.582 4.535 . 0 0 "[ . 1 . 2]" 1
654 1 22 VAL QG 1 28 VAL MG1 . . 3.540 3.010 2.258 3.535 . 0 0 "[ . 1 . 2]" 1
655 1 22 VAL QG 1 29 HIS H . . 4.700 3.602 2.989 4.011 . 0 0 "[ . 1 . 2]" 1
656 1 22 VAL QG 1 62 TRP HH2 . . 5.440 4.883 4.310 5.419 . 0 0 "[ . 1 . 2]" 1
657 1 22 VAL MG1 1 23 ASP H . . 4.280 3.505 2.748 4.266 . 0 0 "[ . 1 . 2]" 1
658 1 22 VAL MG1 1 28 VAL HB . . 5.500 5.092 4.458 5.502 0.002 4 0 "[ . 1 . 2]" 1
659 1 22 VAL MG1 1 28 VAL MG1 . . 4.610 3.989 3.583 4.488 . 0 0 "[ . 1 . 2]" 1
660 1 22 VAL MG2 1 23 ASP H . . 4.280 3.584 2.601 4.273 . 0 0 "[ . 1 . 2]" 1
661 1 22 VAL MG2 1 28 VAL HB . . 5.500 4.314 3.775 4.829 . 0 0 "[ . 1 . 2]" 1
662 1 22 VAL MG2 1 28 VAL MG1 . . 4.610 3.332 2.274 4.299 . 0 0 "[ . 1 . 2]" 1
663 1 23 ASP H 1 23 ASP HB2 . . 3.910 2.733 2.183 3.604 . 0 0 "[ . 1 . 2]" 1
664 1 23 ASP H 1 23 ASP QB . . 3.350 2.336 2.129 2.802 . 0 0 "[ . 1 . 2]" 1
665 1 23 ASP H 1 23 ASP HB3 . . 3.910 2.779 2.351 3.502 . 0 0 "[ . 1 . 2]" 1
666 1 23 ASP H 1 29 HIS HD2 . . 4.970 4.784 4.568 4.938 . 0 0 "[ . 1 . 2]" 1
667 1 23 ASP QB 1 24 LYS H . . 4.100 2.781 1.957 3.457 . 0 0 "[ . 1 . 2]" 1
668 1 23 ASP QB 1 24 LYS QB . . 4.750 4.121 3.598 4.656 . 0 0 "[ . 1 . 2]" 1
669 1 23 ASP QB 1 25 LYS H . . 4.470 2.863 2.342 3.448 . 0 0 "[ . 1 . 2]" 1
670 1 23 ASP QB 1 29 HIS HD2 . . 4.570 4.012 3.472 4.545 . 0 0 "[ . 1 . 2]" 1
671 1 23 ASP HB2 1 24 LYS H . . 4.700 3.353 1.969 4.067 . 0 0 "[ . 1 . 2]" 1
672 1 23 ASP HB2 1 24 LYS QB . . 5.500 4.929 3.662 5.499 . 0 0 "[ . 1 . 2]" 1
673 1 23 ASP HB3 1 24 LYS H . . 4.700 3.322 2.653 3.829 . 0 0 "[ . 1 . 2]" 1
674 1 23 ASP HB3 1 24 LYS QB . . 5.500 4.756 3.840 5.412 . 0 0 "[ . 1 . 2]" 1
675 1 24 LYS H 1 25 LYS H . . 4.380 2.795 2.547 2.924 . 0 0 "[ . 1 . 2]" 1
676 1 24 LYS HA 1 24 LYS QD . . 3.690 2.804 2.057 3.690 0.000 11 0 "[ . 1 . 2]" 1
677 1 24 LYS HA 1 24 LYS QE . . 4.770 3.988 1.985 4.761 . 0 0 "[ . 1 . 2]" 1
678 1 24 LYS HA 1 24 LYS QG . . 3.310 2.560 2.153 3.009 . 0 0 "[ . 1 . 2]" 1
679 1 24 LYS HA 1 26 GLY H . . 4.320 4.137 3.743 4.311 . 0 0 "[ . 1 . 2]" 1
680 1 24 LYS QB 1 24 LYS QD . . 3.380 2.223 2.030 2.544 . 0 0 "[ . 1 . 2]" 1
681 1 24 LYS QB 1 24 LYS QE . . 4.310 3.110 2.058 3.781 . 0 0 "[ . 1 . 2]" 1
682 1 24 LYS QB 1 25 LYS H . . 3.350 2.620 2.390 2.973 . 0 0 "[ . 1 . 2]" 1
683 1 24 LYS QE 1 24 LYS QG . . 3.310 2.269 2.084 2.734 . 0 0 "[ . 1 . 2]" 1
684 1 24 LYS QG 1 25 LYS H . . 4.450 3.923 3.344 4.449 . 0 0 "[ . 1 . 2]" 1
685 1 25 LYS H 1 25 LYS QB . . 3.130 2.356 2.169 2.575 . 0 0 "[ . 1 . 2]" 1
686 1 25 LYS H 1 25 LYS QD . . 4.320 3.491 1.966 4.329 0.009 3 0 "[ . 1 . 2]" 1
687 1 25 LYS H 1 25 LYS QE . . 4.890 4.307 2.312 4.890 . 0 0 "[ . 1 . 2]" 1
688 1 25 LYS H 1 25 LYS HG2 . . 4.260 3.033 2.002 4.222 . 0 0 "[ . 1 . 2]" 1
689 1 25 LYS H 1 25 LYS QG . . 3.700 2.627 1.984 3.516 . 0 0 "[ . 1 . 2]" 1
690 1 25 LYS H 1 25 LYS HG3 . . 4.260 3.240 2.447 3.835 . 0 0 "[ . 1 . 2]" 1
691 1 25 LYS H 1 26 GLY HA2 . . 5.160 5.056 4.878 5.167 0.007 3 0 "[ . 1 . 2]" 1
692 1 25 LYS H 1 27 HIS H . . 4.620 4.408 4.076 4.620 0.000 4 0 "[ . 1 . 2]" 1
693 1 25 LYS HA 1 25 LYS QD . . 3.690 2.949 2.003 3.874 0.184 13 0 "[ . 1 . 2]" 1
694 1 25 LYS HA 1 25 LYS QE . . 4.410 3.949 1.982 4.433 0.023 13 0 "[ . 1 . 2]" 1
695 1 25 LYS HA 1 25 LYS HG2 . . 3.920 2.818 2.256 3.618 . 0 0 "[ . 1 . 2]" 1
696 1 25 LYS HA 1 25 LYS QG . . 3.070 2.423 2.182 2.861 . 0 0 "[ . 1 . 2]" 1
697 1 25 LYS HA 1 25 LYS HG3 . . 3.920 3.202 2.204 3.793 . 0 0 "[ . 1 . 2]" 1
698 1 25 LYS HA 1 27 HIS H . . 4.820 4.650 4.388 4.806 . 0 0 "[ . 1 . 2]" 1
699 1 25 LYS QB 1 25 LYS QD . . 3.290 2.223 2.071 2.387 . 0 0 "[ . 1 . 2]" 1
700 1 25 LYS QB 1 25 LYS QE . . 4.220 3.144 2.022 3.764 . 0 0 "[ . 1 . 2]" 1
701 1 25 LYS QB 1 27 HIS H . . 3.740 2.683 2.487 2.845 . 0 0 "[ . 1 . 2]" 1
702 1 25 LYS QB 1 27 HIS QB . . 4.070 3.332 2.811 3.856 . 0 0 "[ . 1 . 2]" 1
703 1 25 LYS QB 1 27 HIS HD2 . . 3.630 2.750 2.469 3.129 . 0 0 "[ . 1 . 2]" 1
704 1 25 LYS HB2 1 25 LYS QD . . 3.900 2.906 2.210 3.402 . 0 0 "[ . 1 . 2]" 1
705 1 25 LYS HB2 1 25 LYS QE . . 4.810 3.674 2.147 4.383 . 0 0 "[ . 1 . 2]" 1
706 1 25 LYS HB2 1 26 GLY H . . 4.200 2.757 2.517 3.016 . 0 0 "[ . 1 . 2]" 1
707 1 25 LYS HB2 1 27 HIS H . . 4.310 2.909 2.567 3.226 . 0 0 "[ . 1 . 2]" 1
708 1 25 LYS HB2 1 27 HIS QB . . 4.700 3.566 3.020 4.568 . 0 0 "[ . 1 . 2]" 1
709 1 25 LYS HB2 1 27 HIS HD2 . . 4.180 3.606 2.988 4.021 . 0 0 "[ . 1 . 2]" 1
710 1 25 LYS HB3 1 25 LYS QD . . 3.900 2.546 2.149 3.428 . 0 0 "[ . 1 . 2]" 1
711 1 25 LYS HB3 1 25 LYS QE . . 4.810 3.534 2.290 4.472 . 0 0 "[ . 1 . 2]" 1
712 1 25 LYS HB3 1 26 GLY H . . 4.200 3.527 3.242 3.852 . 0 0 "[ . 1 . 2]" 1
713 1 25 LYS HB3 1 27 HIS H . . 4.310 3.242 2.897 3.550 . 0 0 "[ . 1 . 2]" 1
714 1 25 LYS HB3 1 27 HIS QB . . 4.700 4.068 3.350 4.581 . 0 0 "[ . 1 . 2]" 1
715 1 25 LYS HB3 1 27 HIS HD2 . . 4.180 2.902 2.514 3.815 . 0 0 "[ . 1 . 2]" 1
716 1 25 LYS QD 1 27 HIS QB . . 5.500 5.145 3.877 5.503 0.003 3 0 "[ . 1 . 2]" 1
717 1 25 LYS QG 1 26 GLY H . . 4.740 4.262 3.999 4.523 . 0 0 "[ . 1 . 2]" 1
718 1 25 LYS QG 1 27 HIS QB . . 5.250 4.804 4.163 5.217 . 0 0 "[ . 1 . 2]" 1
719 1 25 LYS HG2 1 26 GLY H . . 5.500 4.795 4.348 5.257 . 0 0 "[ . 1 . 2]" 1
720 1 25 LYS HG3 1 26 GLY H . . 5.500 4.818 4.364 5.078 . 0 0 "[ . 1 . 2]" 1
721 1 26 GLY H 1 27 HIS H . . 3.150 2.296 1.946 2.623 . 0 0 "[ . 1 . 2]" 1
722 1 26 GLY H 1 27 HIS HA . . 5.120 4.856 4.659 5.089 . 0 0 "[ . 1 . 2]" 1
723 1 26 GLY H 1 27 HIS QB . . 4.710 4.125 3.806 4.710 . 0 0 "[ . 1 . 2]" 1
724 1 27 HIS H 1 27 HIS QB . . 2.840 2.339 2.205 2.691 . 0 0 "[ . 1 . 2]" 1
725 1 27 HIS H 1 27 HIS HD2 . . 4.350 2.374 1.963 3.009 . 0 0 "[ . 1 . 2]" 1
726 1 27 HIS H 1 28 VAL H . . 4.820 4.419 4.315 4.584 . 0 0 "[ . 1 . 2]" 1
727 1 27 HIS H 1 28 VAL MG2 . . 5.320 5.211 5.046 5.320 . 0 0 "[ . 1 . 2]" 1
728 1 27 HIS HA 1 27 HIS HD2 . . 4.320 3.382 3.241 3.900 . 0 0 "[ . 1 . 2]" 1
729 1 27 HIS HA 1 28 VAL H . . 2.880 2.150 2.140 2.199 . 0 0 "[ . 1 . 2]" 1
730 1 27 HIS HA 1 28 VAL HB . . 4.610 4.549 4.496 4.608 . 0 0 "[ . 1 . 2]" 1
731 1 27 HIS HA 1 28 VAL MG2 . . 3.900 3.863 3.747 3.906 0.006 11 0 "[ . 1 . 2]" 1
732 1 27 HIS QB 1 28 VAL H . . 3.800 3.444 3.021 3.623 . 0 0 "[ . 1 . 2]" 1
733 1 27 HIS QB 1 28 VAL HB . . 5.500 5.229 5.021 5.364 . 0 0 "[ . 1 . 2]" 1
734 1 27 HIS QB 1 28 VAL MG2 . . 5.040 4.924 4.796 5.001 . 0 0 "[ . 1 . 2]" 1
735 1 27 HIS QB 1 29 HIS HE1 . . 4.420 2.017 1.861 2.530 . 0 0 "[ . 1 . 2]" 1
736 1 27 HIS HD2 1 28 VAL H . . 5.500 5.427 4.797 5.501 0.001 4 0 "[ . 1 . 2]" 1
737 1 27 HIS HD2 1 29 HIS HE1 . . 5.480 5.340 3.532 5.482 0.002 4 0 "[ . 1 . 2]" 1
738 1 28 VAL H 1 28 VAL HB . . 3.310 2.452 2.380 2.549 . 0 0 "[ . 1 . 2]" 1
739 1 28 VAL H 1 28 VAL MG1 . . 3.930 3.751 3.730 3.765 . 0 0 "[ . 1 . 2]" 1
740 1 28 VAL H 1 28 VAL MG2 . . 3.090 2.349 2.111 2.691 . 0 0 "[ . 1 . 2]" 1
741 1 28 VAL H 1 29 HIS H . . 4.680 4.560 4.473 4.616 . 0 0 "[ . 1 . 2]" 1
742 1 28 VAL H 1 47 GLU H . . 5.300 4.673 4.387 4.936 . 0 0 "[ . 1 . 2]" 1
743 1 28 VAL H 1 47 GLU QB . . 4.930 4.261 4.055 4.567 . 0 0 "[ . 1 . 2]" 1
744 1 28 VAL H 1 47 GLU HG2 . . 4.150 2.953 2.726 3.167 . 0 0 "[ . 1 . 2]" 1
745 1 28 VAL H 1 47 GLU HG3 . . 4.680 4.382 4.166 4.616 . 0 0 "[ . 1 . 2]" 1
746 1 28 VAL HB 1 29 HIS H . . 4.330 4.177 4.005 4.288 . 0 0 "[ . 1 . 2]" 1
747 1 28 VAL HB 1 30 TYR QE . . 4.200 3.663 3.318 3.944 . 0 0 "[ . 1 . 2]" 1
748 1 28 VAL HB 1 47 GLU H . . 4.850 4.601 4.386 4.850 . 0 0 "[ . 1 . 2]" 1
749 1 28 VAL HB 1 47 GLU QB . . 3.490 2.933 2.722 3.306 . 0 0 "[ . 1 . 2]" 1
750 1 28 VAL HB 1 47 GLU HG2 . . 4.170 2.962 2.677 3.177 . 0 0 "[ . 1 . 2]" 1
751 1 28 VAL HB 1 47 GLU HG3 . . 4.450 4.261 4.033 4.451 0.001 10 0 "[ . 1 . 2]" 1
752 1 28 VAL MG1 1 29 HIS H . . 3.310 2.393 2.086 2.671 . 0 0 "[ . 1 . 2]" 1
753 1 28 VAL MG1 1 29 HIS HA . . 4.230 3.581 3.470 3.694 . 0 0 "[ . 1 . 2]" 1
754 1 28 VAL MG1 1 29 HIS HB2 . . 4.760 4.449 4.315 4.591 . 0 0 "[ . 1 . 2]" 1
755 1 28 VAL MG1 1 30 TYR H . . 4.680 4.492 4.338 4.617 . 0 0 "[ . 1 . 2]" 1
756 1 28 VAL MG1 1 30 TYR HA . . 4.580 4.407 4.314 4.480 . 0 0 "[ . 1 . 2]" 1
757 1 28 VAL MG1 1 30 TYR QD . . 4.020 3.500 3.161 3.676 . 0 0 "[ . 1 . 2]" 1
758 1 28 VAL MG1 1 30 TYR QE . . 3.570 2.659 2.251 2.908 . 0 0 "[ . 1 . 2]" 1
759 1 28 VAL MG1 1 47 GLU H . . 4.730 4.558 4.352 4.699 . 0 0 "[ . 1 . 2]" 1
760 1 28 VAL MG1 1 47 GLU HA . . 5.500 4.857 4.575 5.143 . 0 0 "[ . 1 . 2]" 1
761 1 28 VAL MG1 1 47 GLU HB2 . . 4.540 4.069 3.555 4.326 . 0 0 "[ . 1 . 2]" 1
762 1 28 VAL MG1 1 47 GLU QB . . 3.720 2.867 2.524 3.130 . 0 0 "[ . 1 . 2]" 1
763 1 28 VAL MG1 1 47 GLU HB3 . . 4.540 2.931 2.583 3.224 . 0 0 "[ . 1 . 2]" 1
764 1 28 VAL MG1 1 47 GLU HG2 . . 4.660 3.952 3.632 4.073 . 0 0 "[ . 1 . 2]" 1
765 1 28 VAL MG1 1 62 TRP HE1 . . 4.860 3.942 3.596 4.377 . 0 0 "[ . 1 . 2]" 1
766 1 28 VAL MG1 1 62 TRP HH2 . . 4.500 4.163 3.682 4.502 0.002 13 0 "[ . 1 . 2]" 1
767 1 28 VAL MG1 1 62 TRP HZ2 . . 3.500 2.753 2.412 3.141 . 0 0 "[ . 1 . 2]" 1
768 1 28 VAL MG2 1 29 HIS H . . 4.010 3.920 3.860 3.970 . 0 0 "[ . 1 . 2]" 1
769 1 28 VAL MG2 1 29 HIS HA . . 5.500 5.521 5.504 5.535 0.035 2 0 "[ . 1 . 2]" 1
770 1 28 VAL MG2 1 30 TYR QE . . 4.610 4.525 4.245 4.615 0.005 3 0 "[ . 1 . 2]" 1
771 1 28 VAL MG2 1 47 GLU QB . . 4.610 4.307 4.135 4.612 0.002 5 0 "[ . 1 . 2]" 1
772 1 28 VAL MG2 1 47 GLU HG2 . . 4.430 4.256 4.002 4.434 0.004 9 0 "[ . 1 . 2]" 1
773 1 28 VAL MG2 1 62 TRP HH2 . . 5.090 4.742 4.165 5.088 . 0 0 "[ . 1 . 2]" 1
774 1 28 VAL MG2 1 62 TRP HZ2 . . 4.310 3.822 3.426 4.177 . 0 0 "[ . 1 . 2]" 1
775 1 29 HIS H 1 29 HIS HB2 . . 3.560 2.556 2.501 2.632 . 0 0 "[ . 1 . 2]" 1
776 1 29 HIS H 1 29 HIS HD2 . . 5.210 5.097 5.001 5.216 0.006 11 0 "[ . 1 . 2]" 1
777 1 29 HIS H 1 30 TYR H . . 4.660 4.494 4.470 4.514 . 0 0 "[ . 1 . 2]" 1
778 1 29 HIS H 1 44 TRP HZ3 . . 4.800 4.578 4.393 4.787 . 0 0 "[ . 1 . 2]" 1
779 1 29 HIS HA 1 29 HIS HD2 . . 4.880 4.736 4.649 4.803 . 0 0 "[ . 1 . 2]" 1
780 1 29 HIS HA 1 30 TYR H . . 2.990 2.268 2.224 2.305 . 0 0 "[ . 1 . 2]" 1
781 1 29 HIS HA 1 30 TYR QD . . 4.070 3.632 3.355 3.782 . 0 0 "[ . 1 . 2]" 1
782 1 29 HIS HA 1 30 TYR QE . . 5.090 4.744 4.490 4.863 . 0 0 "[ . 1 . 2]" 1
783 1 29 HIS HA 1 46 SER HA . . 3.520 2.015 1.996 2.089 . 0 0 "[ . 1 . 2]" 1
784 1 29 HIS HA 1 46 SER QB . . 4.900 3.957 3.612 4.161 . 0 0 "[ . 1 . 2]" 1
785 1 29 HIS HA 1 47 GLU H . . 3.720 2.992 2.748 3.208 . 0 0 "[ . 1 . 2]" 1
786 1 29 HIS HB2 1 29 HIS HD2 . . 3.920 3.066 2.976 3.173 . 0 0 "[ . 1 . 2]" 1
787 1 29 HIS HB2 1 30 TYR H . . 4.240 3.919 3.804 4.043 . 0 0 "[ . 1 . 2]" 1
788 1 29 HIS HB2 1 44 TRP HE3 . . 4.710 3.292 3.090 3.680 . 0 0 "[ . 1 . 2]" 1
789 1 29 HIS HB2 1 44 TRP HZ3 . . 3.630 3.531 3.317 3.632 0.002 2 0 "[ . 1 . 2]" 1
790 1 29 HIS HB2 1 46 SER HA . . 4.870 4.051 3.908 4.164 . 0 0 "[ . 1 . 2]" 1
791 1 29 HIS HB3 1 30 TYR H . . 4.090 2.791 2.682 2.933 . 0 0 "[ . 1 . 2]" 1
792 1 29 HIS HB3 1 44 TRP HE3 . . 4.650 2.410 2.261 2.550 . 0 0 "[ . 1 . 2]" 1
793 1 29 HIS HB3 1 44 TRP HZ3 . . 3.900 3.656 3.417 3.859 . 0 0 "[ . 1 . 2]" 1
794 1 29 HIS HD2 1 46 SER H . . 5.140 5.114 4.996 5.147 0.007 3 0 "[ . 1 . 2]" 1
795 1 29 HIS HD2 1 46 SER HA . . 4.640 4.345 4.184 4.519 . 0 0 "[ . 1 . 2]" 1
796 1 29 HIS HD2 1 46 SER QB . . 4.960 4.493 4.159 4.855 . 0 0 "[ . 1 . 2]" 1
797 1 29 HIS HE1 1 46 SER HA . . 4.200 3.776 3.599 4.005 . 0 0 "[ . 1 . 2]" 1
798 1 30 TYR H 1 30 TYR HB2 . . 3.880 2.648 2.592 2.690 . 0 0 "[ . 1 . 2]" 1
799 1 30 TYR H 1 30 TYR HB3 . . 3.910 3.783 3.747 3.809 . 0 0 "[ . 1 . 2]" 1
800 1 30 TYR H 1 30 TYR QD . . 3.690 3.063 2.919 3.166 . 0 0 "[ . 1 . 2]" 1
801 1 30 TYR H 1 31 LEU H . . 4.690 4.228 4.107 4.305 . 0 0 "[ . 1 . 2]" 1
802 1 30 TYR H 1 32 ILE MD . . 4.830 4.676 4.511 4.821 . 0 0 "[ . 1 . 2]" 1
803 1 30 TYR H 1 44 TRP HE3 . . 4.530 3.304 3.104 3.688 . 0 0 "[ . 1 . 2]" 1
804 1 30 TYR H 1 44 TRP HZ3 . . 4.340 3.784 3.595 3.998 . 0 0 "[ . 1 . 2]" 1
805 1 30 TYR H 1 45 GLU H . . 3.780 3.431 3.140 3.738 . 0 0 "[ . 1 . 2]" 1
806 1 30 TYR H 1 45 GLU HB3 . . 5.500 5.177 4.937 5.500 . 0 0 "[ . 1 . 2]" 1
807 1 30 TYR H 1 46 SER HA . . 4.050 3.239 3.021 3.360 . 0 0 "[ . 1 . 2]" 1
808 1 30 TYR H 1 47 GLU H . . 4.620 4.526 4.365 4.626 0.006 13 0 "[ . 1 . 2]" 1
809 1 30 TYR H 1 54 TYR HH . . 4.660 3.855 3.679 4.022 . 0 0 "[ . 1 . 2]" 1
810 1 30 TYR HA 1 30 TYR QD . . 4.010 2.787 2.702 2.927 . 0 0 "[ . 1 . 2]" 1
811 1 30 TYR HA 1 30 TYR QE . . 5.450 4.605 4.582 4.663 . 0 0 "[ . 1 . 2]" 1
812 1 30 TYR HA 1 31 LEU H . . 3.140 2.140 2.137 2.148 . 0 0 "[ . 1 . 2]" 1
813 1 30 TYR HA 1 31 LEU HB2 . . 5.320 4.556 4.486 4.634 . 0 0 "[ . 1 . 2]" 1
814 1 30 TYR HA 1 31 LEU QB . . 4.550 4.063 4.060 4.068 . 0 0 "[ . 1 . 2]" 1
815 1 30 TYR HA 1 31 LEU HB3 . . 5.320 4.567 4.494 4.637 . 0 0 "[ . 1 . 2]" 1
816 1 30 TYR HA 1 44 TRP HZ3 . . 3.530 2.340 2.126 2.512 . 0 0 "[ . 1 . 2]" 1
817 1 30 TYR HB2 1 31 LEU H . . 4.390 4.310 4.237 4.401 0.011 10 0 "[ . 1 . 2]" 1
818 1 30 TYR HB2 1 32 ILE MD . . 4.000 3.662 3.494 4.008 0.008 10 0 "[ . 1 . 2]" 1
819 1 30 TYR HB2 1 32 ILE HG12 . . 4.720 3.876 3.739 4.062 . 0 0 "[ . 1 . 2]" 1
820 1 30 TYR HB2 1 32 ILE HG13 . . 4.420 3.301 3.184 3.509 . 0 0 "[ . 1 . 2]" 1
821 1 30 TYR HB2 1 54 TYR QE . . 4.350 3.178 2.969 3.324 . 0 0 "[ . 1 . 2]" 1
822 1 30 TYR HB2 1 58 LYS HG2 . . 4.350 3.900 3.650 4.051 . 0 0 "[ . 1 . 2]" 1
823 1 30 TYR HB2 1 58 LYS HG3 . . 5.500 4.933 4.618 5.196 . 0 0 "[ . 1 . 2]" 1
824 1 30 TYR HB3 1 31 LEU H . . 4.070 3.480 3.329 3.663 . 0 0 "[ . 1 . 2]" 1
825 1 30 TYR HB3 1 32 ILE HG12 . . 4.600 4.091 3.977 4.317 . 0 0 "[ . 1 . 2]" 1
826 1 30 TYR HB3 1 32 ILE HG13 . . 4.380 3.886 3.709 4.141 . 0 0 "[ . 1 . 2]" 1
827 1 30 TYR HB3 1 54 TYR QE . . 4.100 3.931 3.754 4.101 0.001 17 0 "[ . 1 . 2]" 1
828 1 30 TYR QD 1 31 LEU H . . 4.420 4.209 4.075 4.373 . 0 0 "[ . 1 . 2]" 1
829 1 30 TYR QD 1 47 GLU H . . 4.590 4.185 4.038 4.311 . 0 0 "[ . 1 . 2]" 1
830 1 30 TYR QD 1 47 GLU HA . . 3.600 2.560 2.289 3.125 . 0 0 "[ . 1 . 2]" 1
831 1 30 TYR QD 1 47 GLU QB . . 3.850 2.709 2.488 2.816 . 0 0 "[ . 1 . 2]" 1
832 1 30 TYR QD 1 47 GLU HG2 . . 5.000 4.948 4.688 5.013 0.013 3 0 "[ . 1 . 2]" 1
833 1 30 TYR QD 1 47 GLU HG3 . . 5.500 5.411 5.296 5.506 0.006 9 0 "[ . 1 . 2]" 1
834 1 30 TYR QD 1 54 TYR QE . . 4.070 3.764 3.537 3.938 . 0 0 "[ . 1 . 2]" 1
835 1 30 TYR QD 1 54 TYR HH . . 4.180 2.873 2.118 3.648 . 0 0 "[ . 1 . 2]" 1
836 1 30 TYR QD 1 58 LYS HD2 . . 4.770 4.498 4.207 4.752 . 0 0 "[ . 1 . 2]" 1
837 1 30 TYR QD 1 58 LYS HE2 . . 4.320 2.856 2.297 3.473 . 0 0 "[ . 1 . 2]" 1
838 1 30 TYR QD 1 58 LYS HE3 . . 4.350 3.504 2.792 4.343 . 0 0 "[ . 1 . 2]" 1
839 1 30 TYR QD 1 58 LYS HG2 . . 4.850 3.287 3.115 3.392 . 0 0 "[ . 1 . 2]" 1
840 1 30 TYR QD 1 58 LYS HG3 . . 4.750 4.608 4.366 4.752 0.002 12 0 "[ . 1 . 2]" 1
841 1 30 TYR QE 1 47 GLU H . . 4.950 4.588 4.419 4.931 . 0 0 "[ . 1 . 2]" 1
842 1 30 TYR QE 1 47 GLU HA . . 4.140 3.264 2.969 4.115 . 0 0 "[ . 1 . 2]" 1
843 1 30 TYR QE 1 47 GLU HB2 . . 3.890 2.253 1.998 2.924 . 0 0 "[ . 1 . 2]" 1
844 1 30 TYR QE 1 47 GLU QB . . 3.100 1.886 1.782 2.243 . 0 0 "[ . 1 . 2]" 1
845 1 30 TYR QE 1 47 GLU HB3 . . 3.890 2.045 1.996 2.330 . 0 0 "[ . 1 . 2]" 1
846 1 30 TYR QE 1 47 GLU HG2 . . 4.360 4.160 3.961 4.310 . 0 0 "[ . 1 . 2]" 1
847 1 30 TYR QE 1 47 GLU HG3 . . 5.040 4.521 4.382 4.889 . 0 0 "[ . 1 . 2]" 1
848 1 30 TYR QE 1 58 LYS HD2 . . 5.010 4.865 4.657 5.013 0.003 20 0 "[ . 1 . 2]" 1
849 1 30 TYR QE 1 58 LYS HD3 . . 5.340 4.881 4.686 5.114 . 0 0 "[ . 1 . 2]" 1
850 1 30 TYR QE 1 58 LYS HE2 . . 3.540 2.367 2.128 2.703 . 0 0 "[ . 1 . 2]" 1
851 1 30 TYR QE 1 58 LYS HE3 . . 3.930 3.380 2.932 3.879 . 0 0 "[ . 1 . 2]" 1
852 1 30 TYR QE 1 58 LYS HG2 . . 3.600 3.530 3.320 3.614 0.014 8 0 "[ . 1 . 2]" 1
853 1 30 TYR QE 1 58 LYS HG3 . . 5.250 4.984 4.746 5.091 . 0 0 "[ . 1 . 2]" 1
854 1 30 TYR QE 1 62 TRP HD1 . . 5.030 4.440 3.971 4.785 . 0 0 "[ . 1 . 2]" 1
855 1 30 TYR QE 1 62 TRP HE1 . . 3.540 2.888 2.311 3.290 . 0 0 "[ . 1 . 2]" 1
856 1 30 TYR QE 1 62 TRP HH2 . . 4.670 4.579 4.349 4.673 0.003 7 0 "[ . 1 . 2]" 1
857 1 30 TYR QE 1 62 TRP HZ2 . . 3.680 3.024 2.748 3.261 . 0 0 "[ . 1 . 2]" 1
858 1 31 LEU H 1 31 LEU HB2 . . 3.700 2.538 2.459 2.610 . 0 0 "[ . 1 . 2]" 1
859 1 31 LEU H 1 31 LEU QB . . 3.230 2.231 2.222 2.237 . 0 0 "[ . 1 . 2]" 1
860 1 31 LEU H 1 31 LEU HB3 . . 3.700 2.478 2.406 2.548 . 0 0 "[ . 1 . 2]" 1
861 1 31 LEU H 1 31 LEU MD1 . . 4.310 4.069 4.016 4.118 . 0 0 "[ . 1 . 2]" 1
862 1 31 LEU H 1 31 LEU MD2 . . 4.310 4.228 4.183 4.253 . 0 0 "[ . 1 . 2]" 1
863 1 31 LEU H 1 31 LEU HG . . 4.700 4.486 4.431 4.537 . 0 0 "[ . 1 . 2]" 1
864 1 31 LEU H 1 32 ILE H . . 4.390 4.149 4.088 4.223 . 0 0 "[ . 1 . 2]" 1
865 1 31 LEU H 1 44 TRP HE3 . . 4.520 3.389 3.159 3.618 . 0 0 "[ . 1 . 2]" 1
866 1 31 LEU H 1 44 TRP HH2 . . 4.790 3.278 3.159 3.420 . 0 0 "[ . 1 . 2]" 1
867 1 31 LEU H 1 44 TRP HZ3 . . 4.630 2.288 2.070 2.638 . 0 0 "[ . 1 . 2]" 1
868 1 31 LEU HA 1 31 LEU MD1 . . 3.890 2.069 1.968 2.140 . 0 0 "[ . 1 . 2]" 1
869 1 31 LEU HA 1 31 LEU QD . . 2.950 2.060 1.960 2.129 . 0 0 "[ . 1 . 2]" 1
870 1 31 LEU HA 1 31 LEU MD2 . . 3.890 3.751 3.630 3.795 . 0 0 "[ . 1 . 2]" 1
871 1 31 LEU HA 1 31 LEU HG . . 3.800 3.371 3.313 3.460 . 0 0 "[ . 1 . 2]" 1
872 1 31 LEU HA 1 32 ILE H . . 3.120 2.251 2.213 2.285 . 0 0 "[ . 1 . 2]" 1
873 1 31 LEU HA 1 32 ILE HB . . 4.880 4.697 4.630 4.719 . 0 0 "[ . 1 . 2]" 1
874 1 31 LEU HA 1 32 ILE HG12 . . 5.500 5.457 5.346 5.528 0.028 10 0 "[ . 1 . 2]" 1
875 1 31 LEU HA 1 42 ALA MB . . 5.070 4.891 4.726 5.069 . 0 0 "[ . 1 . 2]" 1
876 1 31 LEU HA 1 43 SER H . . 5.500 5.284 5.099 5.421 . 0 0 "[ . 1 . 2]" 1
877 1 31 LEU HA 1 44 TRP H . . 4.950 4.756 4.604 4.933 . 0 0 "[ . 1 . 2]" 1
878 1 31 LEU HA 1 44 TRP HA . . 3.410 2.189 2.002 2.351 . 0 0 "[ . 1 . 2]" 1
879 1 31 LEU HA 1 44 TRP HB3 . . 4.530 4.312 4.091 4.535 0.005 9 0 "[ . 1 . 2]" 1
880 1 31 LEU HA 1 44 TRP HZ3 . . 4.480 3.994 3.787 4.216 . 0 0 "[ . 1 . 2]" 1
881 1 31 LEU HA 1 45 GLU H . . 4.000 3.080 2.913 3.288 . 0 0 "[ . 1 . 2]" 1
882 1 31 LEU QB 1 31 LEU QD . . 2.660 1.945 1.916 1.978 . 0 0 "[ . 1 . 2]" 1
883 1 31 LEU QB 1 32 ILE H . . 4.170 4.009 3.985 4.024 . 0 0 "[ . 1 . 2]" 1
884 1 31 LEU QB 1 42 ALA MB . . 5.170 4.646 4.492 4.829 . 0 0 "[ . 1 . 2]" 1
885 1 31 LEU QB 1 44 TRP HA . . 4.760 3.894 3.726 4.034 . 0 0 "[ . 1 . 2]" 1
886 1 31 LEU QB 1 44 TRP HH2 . . 4.530 2.979 2.874 3.119 . 0 0 "[ . 1 . 2]" 1
887 1 31 LEU HB2 1 31 LEU MD1 . . 3.430 2.493 2.445 2.629 . 0 0 "[ . 1 . 2]" 1
888 1 31 LEU HB2 1 31 LEU MD2 . . 3.430 2.190 2.070 2.305 . 0 0 "[ . 1 . 2]" 1
889 1 31 LEU HB2 1 32 ILE H . . 4.740 4.536 4.498 4.570 . 0 0 "[ . 1 . 2]" 1
890 1 31 LEU HB2 1 44 TRP HA . . 5.500 4.043 3.862 4.192 . 0 0 "[ . 1 . 2]" 1
891 1 31 LEU HB2 1 44 TRP HZ2 . . 4.530 3.031 2.946 3.107 . 0 0 "[ . 1 . 2]" 1
892 1 31 LEU HB3 1 31 LEU MD1 . . 3.430 3.178 3.143 3.187 . 0 0 "[ . 1 . 2]" 1
893 1 31 LEU HB3 1 31 LEU MD2 . . 3.430 2.505 2.413 2.626 . 0 0 "[ . 1 . 2]" 1
894 1 31 LEU HB3 1 32 ILE H . . 4.740 4.465 4.423 4.498 . 0 0 "[ . 1 . 2]" 1
895 1 31 LEU HB3 1 44 TRP HA . . 5.500 5.086 4.899 5.248 . 0 0 "[ . 1 . 2]" 1
896 1 31 LEU HB3 1 44 TRP HZ2 . . 4.530 4.302 4.100 4.469 . 0 0 "[ . 1 . 2]" 1
897 1 31 LEU QD 1 32 ILE H . . 3.370 2.888 2.632 3.029 . 0 0 "[ . 1 . 2]" 1
898 1 31 LEU QD 1 32 ILE HB . . 4.510 4.431 4.305 4.509 . 0 0 "[ . 1 . 2]" 1
899 1 31 LEU QD 1 39 TYR QE . . 4.480 3.637 3.157 4.135 . 0 0 "[ . 1 . 2]" 1
900 1 31 LEU QD 1 42 ALA MB . . 2.850 2.275 2.023 2.445 . 0 0 "[ . 1 . 2]" 1
901 1 31 LEU QD 1 43 SER H . . 3.750 3.166 3.013 3.258 . 0 0 "[ . 1 . 2]" 1
902 1 31 LEU QD 1 43 SER HB3 . . 4.860 4.675 4.438 4.864 0.004 18 0 "[ . 1 . 2]" 1
903 1 31 LEU QD 1 44 TRP H . . 3.970 3.358 3.102 3.618 . 0 0 "[ . 1 . 2]" 1
904 1 31 LEU QD 1 44 TRP HA . . 3.710 2.510 2.283 2.703 . 0 0 "[ . 1 . 2]" 1
905 1 31 LEU QD 1 44 TRP HB3 . . 4.770 4.104 3.813 4.309 . 0 0 "[ . 1 . 2]" 1
906 1 31 LEU QD 1 44 TRP HD1 . . 3.840 3.108 2.767 3.354 . 0 0 "[ . 1 . 2]" 1
907 1 31 LEU QD 1 44 TRP HE3 . . 4.770 3.865 3.625 4.006 . 0 0 "[ . 1 . 2]" 1
908 1 31 LEU QD 1 44 TRP HH2 . . 4.430 3.808 3.715 3.958 . 0 0 "[ . 1 . 2]" 1
909 1 31 LEU QD 1 44 TRP HZ2 . . 3.510 2.674 2.545 2.890 . 0 0 "[ . 1 . 2]" 1
910 1 31 LEU QD 1 45 GLU H . . 4.610 4.013 3.775 4.256 . 0 0 "[ . 1 . 2]" 1
911 1 31 LEU MD1 1 42 ALA MB . . 3.590 2.325 2.050 2.493 . 0 0 "[ . 1 . 2]" 1
912 1 31 LEU MD1 1 44 TRP HD1 . . 4.580 3.194 2.829 3.493 . 0 0 "[ . 1 . 2]" 1
913 1 31 LEU MD1 1 44 TRP HE1 . . 4.250 3.304 3.143 3.541 . 0 0 "[ . 1 . 2]" 1
914 1 31 LEU MD1 1 44 TRP HZ3 . . 5.500 4.889 4.648 5.073 . 0 0 "[ . 1 . 2]" 1
915 1 31 LEU MD2 1 42 ALA MB . . 3.590 3.250 3.069 3.535 . 0 0 "[ . 1 . 2]" 1
916 1 31 LEU MD2 1 44 TRP HD1 . . 4.580 4.279 3.918 4.582 0.002 18 0 "[ . 1 . 2]" 1
917 1 31 LEU MD2 1 44 TRP HE1 . . 4.250 2.912 2.581 3.185 . 0 0 "[ . 1 . 2]" 1
918 1 31 LEU MD2 1 44 TRP HZ3 . . 5.500 4.987 4.849 5.134 . 0 0 "[ . 1 . 2]" 1
919 1 31 LEU HG 1 32 ILE H . . 4.510 4.328 4.202 4.459 . 0 0 "[ . 1 . 2]" 1
920 1 31 LEU HG 1 42 ALA MB . . 4.360 3.164 2.997 3.374 . 0 0 "[ . 1 . 2]" 1
921 1 31 LEU HG 1 44 TRP HZ2 . . 5.430 5.409 5.312 5.432 0.002 4 0 "[ . 1 . 2]" 1
922 1 32 ILE H 1 32 ILE HB . . 3.320 2.496 2.460 2.511 . 0 0 "[ . 1 . 2]" 1
923 1 32 ILE H 1 32 ILE MD . . 4.100 3.658 3.567 3.716 . 0 0 "[ . 1 . 2]" 1
924 1 32 ILE H 1 32 ILE HG12 . . 4.180 3.549 3.448 3.702 . 0 0 "[ . 1 . 2]" 1
925 1 32 ILE H 1 32 ILE HG13 . . 3.820 2.292 2.206 2.453 . 0 0 "[ . 1 . 2]" 1
926 1 32 ILE H 1 32 ILE MG . . 4.110 3.771 3.757 3.779 . 0 0 "[ . 1 . 2]" 1
927 1 32 ILE H 1 42 ALA MB . . 5.090 4.908 4.755 5.092 0.002 17 0 "[ . 1 . 2]" 1
928 1 32 ILE H 1 43 SER H . . 4.710 4.625 4.480 4.713 0.003 10 0 "[ . 1 . 2]" 1
929 1 32 ILE H 1 44 TRP HA . . 3.900 3.031 2.885 3.243 . 0 0 "[ . 1 . 2]" 1
930 1 32 ILE H 1 45 GLU H . . 4.490 2.884 2.566 3.191 . 0 0 "[ . 1 . 2]" 1
931 1 32 ILE HA 1 32 ILE MD . . 3.930 3.833 3.814 3.869 . 0 0 "[ . 1 . 2]" 1
932 1 32 ILE HA 1 32 ILE HG12 . . 3.560 2.538 2.498 2.620 . 0 0 "[ . 1 . 2]" 1
933 1 32 ILE HA 1 32 ILE HG13 . . 3.620 2.997 2.921 3.045 . 0 0 "[ . 1 . 2]" 1
934 1 32 ILE HA 1 32 ILE MG . . 3.280 2.375 2.300 2.452 . 0 0 "[ . 1 . 2]" 1
935 1 32 ILE HA 1 33 LYS H . . 3.000 2.167 2.142 2.246 . 0 0 "[ . 1 . 2]" 1
936 1 32 ILE HA 1 33 LYS HA . . 4.420 4.385 4.380 4.394 . 0 0 "[ . 1 . 2]" 1
937 1 32 ILE HA 1 33 LYS HB3 . . 4.620 4.464 4.269 4.631 0.011 17 0 "[ . 1 . 2]" 1
938 1 32 ILE HA 1 42 ALA MB . . 5.150 5.077 4.946 5.153 0.003 12 0 "[ . 1 . 2]" 1
939 1 32 ILE HB 1 32 ILE MD . . 3.380 2.324 2.261 2.416 . 0 0 "[ . 1 . 2]" 1
940 1 32 ILE HB 1 33 LYS H . . 4.240 4.125 3.937 4.243 0.003 5 0 "[ . 1 . 2]" 1
941 1 32 ILE HB 1 34 TRP HE1 . . 5.310 4.942 4.743 5.160 . 0 0 "[ . 1 . 2]" 1
942 1 32 ILE HB 1 34 TRP HZ2 . . 4.390 4.266 4.048 4.391 0.001 18 0 "[ . 1 . 2]" 1
943 1 32 ILE HB 1 43 SER H . . 4.650 4.477 4.345 4.614 . 0 0 "[ . 1 . 2]" 1
944 1 32 ILE HB 1 45 GLU HG2 . . 4.600 2.841 2.578 3.129 . 0 0 "[ . 1 . 2]" 1
945 1 32 ILE HB 1 45 GLU HG3 . . 4.360 2.799 2.573 3.134 . 0 0 "[ . 1 . 2]" 1
946 1 32 ILE HB 1 51 ILE MD . . 4.610 3.953 3.843 4.028 . 0 0 "[ . 1 . 2]" 1
947 1 32 ILE MD 1 32 ILE MG . . 2.790 2.102 2.032 2.270 . 0 0 "[ . 1 . 2]" 1
948 1 32 ILE MD 1 33 LYS H . . 5.310 5.031 4.748 5.185 . 0 0 "[ . 1 . 2]" 1
949 1 32 ILE MD 1 34 TRP HH2 . . 3.920 3.363 3.161 3.617 . 0 0 "[ . 1 . 2]" 1
950 1 32 ILE MD 1 34 TRP HZ2 . . 4.190 3.981 3.777 4.187 . 0 0 "[ . 1 . 2]" 1
951 1 32 ILE MD 1 34 TRP HZ3 . . 4.860 4.103 3.944 4.364 . 0 0 "[ . 1 . 2]" 1
952 1 32 ILE MD 1 45 GLU H . . 4.320 4.072 3.945 4.311 . 0 0 "[ . 1 . 2]" 1
953 1 32 ILE MD 1 45 GLU HA . . 4.450 4.411 4.309 4.461 0.011 3 0 "[ . 1 . 2]" 1
954 1 32 ILE MD 1 45 GLU HB2 . . 3.330 1.968 1.857 2.040 . 0 0 "[ . 1 . 2]" 1
955 1 32 ILE MD 1 45 GLU HB3 . . 3.830 2.711 2.512 2.822 . 0 0 "[ . 1 . 2]" 1
956 1 32 ILE MD 1 45 GLU HG2 . . 3.560 3.149 2.992 3.315 . 0 0 "[ . 1 . 2]" 1
957 1 32 ILE MD 1 45 GLU HG3 . . 3.210 2.102 1.966 2.368 . 0 0 "[ . 1 . 2]" 1
958 1 32 ILE MD 1 47 GLU HA . . 5.500 5.086 4.825 5.340 . 0 0 "[ . 1 . 2]" 1
959 1 32 ILE MD 1 49 VAL H . . 5.500 5.339 4.976 5.500 . 0 0 "[ . 1 . 2]" 1
960 1 32 ILE MD 1 49 VAL MG2 . . 4.160 2.473 2.249 2.807 . 0 0 "[ . 1 . 2]" 1
961 1 32 ILE MD 1 51 ILE MD . . 2.990 1.740 1.634 1.906 . 0 0 "[ . 1 . 2]" 1
962 1 32 ILE MD 1 51 ILE MG . . 3.690 3.555 3.301 3.692 0.002 15 0 "[ . 1 . 2]" 1
963 1 32 ILE MD 1 54 TYR HA . . 5.020 4.762 4.581 4.990 . 0 0 "[ . 1 . 2]" 1
964 1 32 ILE MD 1 54 TYR QD . . 3.760 3.272 3.041 3.645 . 0 0 "[ . 1 . 2]" 1
965 1 32 ILE MD 1 54 TYR QE . . 2.930 2.430 2.116 2.880 . 0 0 "[ . 1 . 2]" 1
966 1 32 ILE HG12 1 32 ILE MG . . 3.410 2.330 2.224 2.399 . 0 0 "[ . 1 . 2]" 1
967 1 32 ILE HG12 1 33 LYS H . . 4.640 4.323 4.092 4.427 . 0 0 "[ . 1 . 2]" 1
968 1 32 ILE HG12 1 45 GLU HB2 . . 4.550 3.879 3.712 4.084 . 0 0 "[ . 1 . 2]" 1
969 1 32 ILE HG12 1 45 GLU HG2 . . 5.400 5.157 4.821 5.394 . 0 0 "[ . 1 . 2]" 1
970 1 32 ILE HG12 1 45 GLU HG3 . . 5.190 4.763 4.499 5.042 . 0 0 "[ . 1 . 2]" 1
971 1 32 ILE HG13 1 32 ILE MG . . 3.540 3.191 3.183 3.203 . 0 0 "[ . 1 . 2]" 1
972 1 32 ILE HG13 1 45 GLU H . . 4.550 3.519 3.287 3.715 . 0 0 "[ . 1 . 2]" 1
973 1 32 ILE HG13 1 45 GLU HB2 . . 4.270 2.480 2.274 2.784 . 0 0 "[ . 1 . 2]" 1
974 1 32 ILE HG13 1 45 GLU HG2 . . 4.210 3.804 3.381 4.096 . 0 0 "[ . 1 . 2]" 1
975 1 32 ILE HG13 1 45 GLU HG3 . . 4.220 3.843 3.505 4.213 . 0 0 "[ . 1 . 2]" 1
976 1 32 ILE HG13 1 54 TYR QD . . 5.500 5.362 5.252 5.501 0.001 5 0 "[ . 1 . 2]" 1
977 1 32 ILE MG 1 33 LYS H . . 3.540 2.322 2.028 2.709 . 0 0 "[ . 1 . 2]" 1
978 1 32 ILE MG 1 33 LYS HA . . 4.630 3.742 3.525 3.926 . 0 0 "[ . 1 . 2]" 1
979 1 32 ILE MG 1 33 LYS HB3 . . 4.810 4.276 4.078 4.432 . 0 0 "[ . 1 . 2]" 1
980 1 32 ILE MG 1 34 TRP HA . . 4.180 3.444 3.263 3.613 . 0 0 "[ . 1 . 2]" 1
981 1 32 ILE MG 1 34 TRP HB2 . . 5.420 5.159 5.008 5.325 . 0 0 "[ . 1 . 2]" 1
982 1 32 ILE MG 1 34 TRP HE1 . . 5.260 4.762 4.573 5.022 . 0 0 "[ . 1 . 2]" 1
983 1 32 ILE MG 1 34 TRP HE3 . . 4.480 3.388 3.231 3.578 . 0 0 "[ . 1 . 2]" 1
984 1 32 ILE MG 1 34 TRP HH2 . . 4.180 3.651 3.359 3.888 . 0 0 "[ . 1 . 2]" 1
985 1 32 ILE MG 1 34 TRP HZ2 . . 4.430 4.107 3.887 4.382 . 0 0 "[ . 1 . 2]" 1
986 1 32 ILE MG 1 34 TRP HZ3 . . 4.240 3.294 3.070 3.490 . 0 0 "[ . 1 . 2]" 1
987 1 32 ILE MG 1 43 SER H . . 4.820 4.737 4.571 4.819 . 0 0 "[ . 1 . 2]" 1
988 1 32 ILE MG 1 45 GLU HB2 . . 5.190 4.231 4.033 4.376 . 0 0 "[ . 1 . 2]" 1
989 1 32 ILE MG 1 45 GLU HG2 . . 4.610 4.225 3.994 4.460 . 0 0 "[ . 1 . 2]" 1
990 1 32 ILE MG 1 45 GLU HG3 . . 4.760 3.586 3.420 3.859 . 0 0 "[ . 1 . 2]" 1
991 1 32 ILE MG 1 51 ILE MD . . 3.920 2.799 2.632 3.006 . 0 0 "[ . 1 . 2]" 1
992 1 32 ILE MG 1 51 ILE MG . . 4.060 3.648 3.503 3.773 . 0 0 "[ . 1 . 2]" 1
993 1 33 LYS H 1 33 LYS HB2 . . 3.890 3.023 2.874 3.284 . 0 0 "[ . 1 . 2]" 1
994 1 33 LYS H 1 33 LYS HB3 . . 3.560 2.452 2.375 2.585 . 0 0 "[ . 1 . 2]" 1
995 1 33 LYS H 1 33 LYS QD . . 5.340 4.386 4.157 4.548 . 0 0 "[ . 1 . 2]" 1
996 1 33 LYS H 1 33 LYS QG . . 4.200 3.990 3.812 4.153 . 0 0 "[ . 1 . 2]" 1
997 1 33 LYS H 1 34 TRP H . . 4.690 4.050 3.961 4.168 . 0 0 "[ . 1 . 2]" 1
998 1 33 LYS H 1 42 ALA MB . . 4.540 4.395 4.180 4.541 0.001 10 0 "[ . 1 . 2]" 1
999 1 33 LYS HA 1 33 LYS QD . . 4.570 4.019 2.542 4.243 . 0 0 "[ . 1 . 2]" 1
1000 1 33 LYS HA 1 33 LYS QG . . 3.520 2.609 2.346 3.128 . 0 0 "[ . 1 . 2]" 1
1001 1 33 LYS HA 1 34 TRP H . . 3.140 2.213 2.158 2.247 . 0 0 "[ . 1 . 2]" 1
1002 1 33 LYS HA 1 34 TRP HB2 . . 4.760 4.647 4.580 4.711 . 0 0 "[ . 1 . 2]" 1
1003 1 33 LYS HA 1 34 TRP HD1 . . 4.970 4.759 4.593 4.947 . 0 0 "[ . 1 . 2]" 1
1004 1 33 LYS HA 1 42 ALA H . . 5.120 4.826 4.699 4.927 . 0 0 "[ . 1 . 2]" 1
1005 1 33 LYS HA 1 42 ALA MB . . 3.470 2.397 2.072 2.529 . 0 0 "[ . 1 . 2]" 1
1006 1 33 LYS HA 1 43 SER H . . 4.550 3.475 3.298 3.657 . 0 0 "[ . 1 . 2]" 1
1007 1 33 LYS HB2 1 34 TRP H . . 4.480 4.469 4.258 4.503 0.023 19 0 "[ . 1 . 2]" 1
1008 1 33 LYS HB2 1 39 TYR QE . . 5.320 4.311 4.020 4.701 . 0 0 "[ . 1 . 2]" 1
1009 1 33 LYS HB2 1 42 ALA MB . . 3.700 2.856 2.587 3.028 . 0 0 "[ . 1 . 2]" 1
1010 1 33 LYS HB3 1 33 LYS QD . . 3.720 2.308 2.071 3.290 . 0 0 "[ . 1 . 2]" 1
1011 1 33 LYS HB3 1 39 TYR QE . . 5.500 5.374 4.962 5.499 . 0 0 "[ . 1 . 2]" 1
1012 1 33 LYS HB3 1 42 ALA MB . . 4.330 4.173 3.976 4.317 . 0 0 "[ . 1 . 2]" 1
1013 1 33 LYS QD 1 35 ARG HA . . 5.150 3.994 2.755 4.691 . 0 0 "[ . 1 . 2]" 1
1014 1 33 LYS QD 1 39 TYR HA . . 5.340 3.732 2.267 4.421 . 0 0 "[ . 1 . 2]" 1
1015 1 33 LYS QD 1 39 TYR QD . . 4.300 2.898 2.028 4.026 . 0 0 "[ . 1 . 2]" 1
1016 1 33 LYS QD 1 39 TYR QE . . 5.140 4.036 3.343 5.163 0.023 13 0 "[ . 1 . 2]" 1
1017 1 33 LYS QD 1 42 ALA MB . . 4.970 4.091 2.554 4.551 . 0 0 "[ . 1 . 2]" 1
1018 1 33 LYS QE 1 38 PRO HA . . 4.500 3.535 2.981 4.485 . 0 0 "[ . 1 . 2]" 1
1019 1 33 LYS QE 1 39 TYR HA . . 3.840 2.370 2.005 3.078 . 0 0 "[ . 1 . 2]" 1
1020 1 33 LYS QE 1 39 TYR QD . . 4.120 2.597 1.775 3.431 . 0 0 "[ . 1 . 2]" 1
1021 1 33 LYS QE 1 39 TYR QE . . 5.260 4.471 3.436 5.227 . 0 0 "[ . 1 . 2]" 1
1022 1 33 LYS QE 1 42 ALA H . . 5.340 5.148 4.428 5.345 0.005 2 0 "[ . 1 . 2]" 1
1023 1 33 LYS HE2 1 39 TYR HA . . 4.610 3.053 2.036 4.561 . 0 0 "[ . 1 . 2]" 1
1024 1 33 LYS HE2 1 39 TYR QD . . 4.760 3.525 1.991 4.463 . 0 0 "[ . 1 . 2]" 1
1025 1 33 LYS HE3 1 39 TYR HA . . 4.610 3.095 2.012 4.086 . 0 0 "[ . 1 . 2]" 1
1026 1 33 LYS HE3 1 39 TYR QD . . 4.760 2.757 1.994 3.599 . 0 0 "[ . 1 . 2]" 1
1027 1 33 LYS QG 1 34 TRP H . . 3.890 3.468 3.318 3.610 . 0 0 "[ . 1 . 2]" 1
1028 1 33 LYS QG 1 35 ARG HA . . 4.890 3.745 3.225 4.819 . 0 0 "[ . 1 . 2]" 1
1029 1 33 LYS QG 1 39 TYR HA . . 4.170 2.606 2.253 4.178 0.008 10 0 "[ . 1 . 2]" 1
1030 1 33 LYS QG 1 39 TYR QD . . 3.950 3.320 2.382 3.953 0.003 8 0 "[ . 1 . 2]" 1
1031 1 33 LYS QG 1 42 ALA MB . . 4.160 2.716 2.339 4.122 . 0 0 "[ . 1 . 2]" 1
1032 1 34 TRP H 1 34 TRP HB2 . . 3.610 2.666 2.541 2.705 . 0 0 "[ . 1 . 2]" 1
1033 1 34 TRP H 1 34 TRP HB3 . . 4.000 3.586 3.578 3.596 . 0 0 "[ . 1 . 2]" 1
1034 1 34 TRP H 1 34 TRP HD1 . . 3.710 3.096 2.957 3.255 . 0 0 "[ . 1 . 2]" 1
1035 1 34 TRP H 1 37 LEU HB2 . . 4.120 3.860 3.727 4.048 . 0 0 "[ . 1 . 2]" 1
1036 1 34 TRP H 1 37 LEU MD1 . . 4.560 4.186 3.921 4.447 . 0 0 "[ . 1 . 2]" 1
1037 1 34 TRP H 1 42 ALA MB . . 4.090 3.835 3.638 3.968 . 0 0 "[ . 1 . 2]" 1
1038 1 34 TRP HA 1 34 TRP HE3 . . 4.150 2.296 2.138 2.443 . 0 0 "[ . 1 . 2]" 1
1039 1 34 TRP HA 1 35 ARG H . . 3.370 2.163 2.147 2.184 . 0 0 "[ . 1 . 2]" 1
1040 1 34 TRP HA 1 35 ARG HB2 . . 5.420 4.395 4.298 4.494 . 0 0 "[ . 1 . 2]" 1
1041 1 34 TRP HA 1 37 LEU MD1 . . 5.190 4.932 4.634 5.169 . 0 0 "[ . 1 . 2]" 1
1042 1 34 TRP HB2 1 34 TRP HD1 . . 3.690 2.549 2.546 2.556 . 0 0 "[ . 1 . 2]" 1
1043 1 34 TRP HB2 1 35 ARG H . . 4.590 4.362 4.317 4.419 . 0 0 "[ . 1 . 2]" 1
1044 1 34 TRP HB2 1 37 LEU H . . 4.020 2.710 2.548 3.004 . 0 0 "[ . 1 . 2]" 1
1045 1 34 TRP HB2 1 37 LEU HB2 . . 3.830 2.013 1.998 2.080 . 0 0 "[ . 1 . 2]" 1
1046 1 34 TRP HB2 1 37 LEU HB3 . . 4.080 3.708 3.653 3.783 . 0 0 "[ . 1 . 2]" 1
1047 1 34 TRP HB2 1 37 LEU MD1 . . 3.490 2.459 2.216 2.620 . 0 0 "[ . 1 . 2]" 1
1048 1 34 TRP HB2 1 37 LEU MD2 . . 4.500 4.276 4.089 4.456 . 0 0 "[ . 1 . 2]" 1
1049 1 34 TRP HB2 1 37 LEU HG . . 4.230 2.928 2.677 3.253 . 0 0 "[ . 1 . 2]" 1
1050 1 34 TRP HB2 1 42 ALA MB . . 5.470 5.395 5.162 5.472 0.002 18 0 "[ . 1 . 2]" 1
1051 1 34 TRP HB3 1 34 TRP HE3 . . 3.940 2.939 2.866 3.021 . 0 0 "[ . 1 . 2]" 1
1052 1 34 TRP HB3 1 35 ARG H . . 3.980 3.745 3.631 3.837 . 0 0 "[ . 1 . 2]" 1
1053 1 34 TRP HB3 1 37 LEU H . . 4.310 3.021 2.833 3.188 . 0 0 "[ . 1 . 2]" 1
1054 1 34 TRP HB3 1 37 LEU HB2 . . 3.960 3.542 3.389 3.648 . 0 0 "[ . 1 . 2]" 1
1055 1 34 TRP HB3 1 37 LEU MD1 . . 3.520 3.216 2.894 3.479 . 0 0 "[ . 1 . 2]" 1
1056 1 34 TRP HB3 1 37 LEU MD2 . . 5.180 4.859 4.596 5.059 . 0 0 "[ . 1 . 2]" 1
1057 1 34 TRP HB3 1 37 LEU HG . . 4.260 3.369 3.059 3.632 . 0 0 "[ . 1 . 2]" 1
1058 1 34 TRP HD1 1 37 LEU HB2 . . 4.190 3.302 3.106 3.582 . 0 0 "[ . 1 . 2]" 1
1059 1 34 TRP HD1 1 37 LEU HB3 . . 4.660 4.289 4.090 4.507 . 0 0 "[ . 1 . 2]" 1
1060 1 34 TRP HD1 1 37 LEU MD1 . . 3.520 2.053 1.877 2.302 . 0 0 "[ . 1 . 2]" 1
1061 1 34 TRP HD1 1 37 LEU MD2 . . 5.190 4.698 4.466 5.025 . 0 0 "[ . 1 . 2]" 1
1062 1 34 TRP HD1 1 42 ALA MB . . 5.170 4.886 4.692 5.132 . 0 0 "[ . 1 . 2]" 1
1063 1 34 TRP HD1 1 43 SER H . . 4.120 3.732 3.615 3.892 . 0 0 "[ . 1 . 2]" 1
1064 1 34 TRP HD1 1 43 SER HB2 . . 4.700 3.532 3.118 3.976 . 0 0 "[ . 1 . 2]" 1
1065 1 34 TRP HE1 1 43 SER H . . 3.850 3.766 3.518 3.850 . 0 0 "[ . 1 . 2]" 1
1066 1 34 TRP HE1 1 43 SER HB2 . . 4.280 2.513 1.906 3.177 . 0 0 "[ . 1 . 2]" 1
1067 1 34 TRP HE1 1 43 SER HB3 . . 4.480 2.799 2.078 3.583 . 0 0 "[ . 1 . 2]" 1
1068 1 34 TRP HE3 1 35 ARG H . . 4.270 3.865 3.661 4.072 . 0 0 "[ . 1 . 2]" 1
1069 1 34 TRP HH2 1 45 GLU HB2 . . 5.500 5.247 4.845 5.486 . 0 0 "[ . 1 . 2]" 1
1070 1 34 TRP HH2 1 45 GLU HG2 . . 5.030 4.883 4.559 5.034 0.004 3 0 "[ . 1 . 2]" 1
1071 1 34 TRP HH2 1 45 GLU HG3 . . 4.100 3.276 2.965 3.457 . 0 0 "[ . 1 . 2]" 1
1072 1 34 TRP HH2 1 51 ILE MD . . 3.160 2.479 2.311 2.764 . 0 0 "[ . 1 . 2]" 1
1073 1 34 TRP HH2 1 51 ILE HG12 . . 4.660 2.994 2.774 3.191 . 0 0 "[ . 1 . 2]" 1
1074 1 34 TRP HH2 1 51 ILE HG13 . . 4.950 4.322 4.123 4.551 . 0 0 "[ . 1 . 2]" 1
1075 1 34 TRP HH2 1 51 ILE MG . . 3.660 3.518 3.171 3.665 0.005 12 0 "[ . 1 . 2]" 1
1076 1 34 TRP HZ2 1 43 SER HB3 . . 4.890 4.228 3.719 4.799 . 0 0 "[ . 1 . 2]" 1
1077 1 34 TRP HZ2 1 45 GLU HB2 . . 5.210 5.037 4.725 5.212 0.002 11 0 "[ . 1 . 2]" 1
1078 1 34 TRP HZ2 1 45 GLU HB3 . . 5.020 4.772 4.280 5.025 0.005 20 0 "[ . 1 . 2]" 1
1079 1 34 TRP HZ2 1 45 GLU HG2 . . 3.800 3.556 3.256 3.730 . 0 0 "[ . 1 . 2]" 1
1080 1 34 TRP HZ2 1 45 GLU HG3 . . 3.480 2.662 2.335 2.853 . 0 0 "[ . 1 . 2]" 1
1081 1 34 TRP HZ2 1 51 ILE MD . . 4.270 4.074 3.887 4.190 . 0 0 "[ . 1 . 2]" 1
1082 1 34 TRP HZ3 1 51 ILE MD . . 3.800 3.004 2.621 3.456 . 0 0 "[ . 1 . 2]" 1
1083 1 34 TRP HZ3 1 51 ILE MG . . 3.450 2.471 2.238 2.787 . 0 0 "[ . 1 . 2]" 1
1084 1 35 ARG H 1 35 ARG HB2 . . 3.670 2.534 2.429 2.650 . 0 0 "[ . 1 . 2]" 1
1085 1 35 ARG H 1 35 ARG HB3 . . 3.630 3.619 3.599 3.625 . 0 0 "[ . 1 . 2]" 1
1086 1 35 ARG H 1 35 ARG QD . . 5.450 4.015 3.827 4.282 . 0 0 "[ . 1 . 2]" 1
1087 1 35 ARG H 1 35 ARG HG2 . . 4.250 3.259 3.121 3.453 . 0 0 "[ . 1 . 2]" 1
1088 1 35 ARG H 1 35 ARG HG3 . . 3.850 2.342 2.117 2.624 . 0 0 "[ . 1 . 2]" 1
1089 1 35 ARG H 1 36 ASP H . . 4.450 3.193 3.093 3.338 . 0 0 "[ . 1 . 2]" 1
1090 1 35 ARG HA 1 35 ARG QD . . 4.210 4.011 3.658 4.170 . 0 0 "[ . 1 . 2]" 1
1091 1 35 ARG HA 1 35 ARG HG2 . . 3.640 2.366 2.220 2.478 . 0 0 "[ . 1 . 2]" 1
1092 1 35 ARG HA 1 35 ARG HG3 . . 3.950 3.109 2.982 3.222 . 0 0 "[ . 1 . 2]" 1
1093 1 35 ARG HA 1 36 ASP HA . . 5.000 4.851 4.823 4.887 . 0 0 "[ . 1 . 2]" 1
1094 1 35 ARG HA 1 37 LEU H . . 4.760 4.667 4.392 4.763 0.003 10 0 "[ . 1 . 2]" 1
1095 1 35 ARG HB2 1 35 ARG QD . . 3.650 2.498 2.338 2.710 . 0 0 "[ . 1 . 2]" 1
1096 1 35 ARG HB2 1 36 ASP H . . 4.040 2.327 2.126 2.450 . 0 0 "[ . 1 . 2]" 1
1097 1 35 ARG HB2 1 36 ASP QB . . 4.560 4.129 3.956 4.514 . 0 0 "[ . 1 . 2]" 1
1098 1 35 ARG HB3 1 35 ARG QD . . 3.760 2.462 2.212 2.882 . 0 0 "[ . 1 . 2]" 1
1099 1 35 ARG HB3 1 36 ASP H . . 4.260 3.112 2.688 3.359 . 0 0 "[ . 1 . 2]" 1
1100 1 35 ARG HG2 1 36 ASP H . . 4.880 4.808 4.653 4.882 0.002 1 0 "[ . 1 . 2]" 1
1101 1 36 ASP H 1 36 ASP QB . . 3.650 2.294 2.212 2.658 . 0 0 "[ . 1 . 2]" 1
1102 1 36 ASP H 1 37 LEU H . . 3.700 2.971 2.848 3.164 . 0 0 "[ . 1 . 2]" 1
1103 1 37 LEU H 1 37 LEU HB2 . . 3.580 2.476 2.413 2.553 . 0 0 "[ . 1 . 2]" 1
1104 1 37 LEU H 1 37 LEU HB3 . . 3.890 3.605 3.589 3.635 . 0 0 "[ . 1 . 2]" 1
1105 1 37 LEU H 1 37 LEU MD1 . . 3.960 3.624 3.442 3.777 . 0 0 "[ . 1 . 2]" 1
1106 1 37 LEU H 1 37 LEU MD2 . . 4.040 3.451 3.289 3.618 . 0 0 "[ . 1 . 2]" 1
1107 1 37 LEU H 1 37 LEU HG . . 3.870 2.367 2.171 2.521 . 0 0 "[ . 1 . 2]" 1
1108 1 37 LEU H 1 38 PRO HD2 . . 4.880 4.790 4.774 4.809 . 0 0 "[ . 1 . 2]" 1
1109 1 37 LEU H 1 38 PRO HD3 . . 5.220 5.044 5.014 5.056 . 0 0 "[ . 1 . 2]" 1
1110 1 37 LEU HA 1 37 LEU MD1 . . 4.160 3.888 3.828 3.928 . 0 0 "[ . 1 . 2]" 1
1111 1 37 LEU HA 1 37 LEU MD2 . . 3.110 2.148 1.992 2.373 . 0 0 "[ . 1 . 2]" 1
1112 1 37 LEU HA 1 38 PRO HB3 . . 5.140 4.843 4.835 4.846 . 0 0 "[ . 1 . 2]" 1
1113 1 37 LEU HA 1 38 PRO HD2 . . 3.320 2.373 2.314 2.395 . 0 0 "[ . 1 . 2]" 1
1114 1 37 LEU HA 1 38 PRO HD3 . . 3.170 2.290 2.272 2.298 . 0 0 "[ . 1 . 2]" 1
1115 1 37 LEU HA 1 38 PRO HG2 . . 4.590 4.491 4.443 4.508 . 0 0 "[ . 1 . 2]" 1
1116 1 37 LEU HA 1 38 PRO HG3 . . 4.590 4.457 4.423 4.469 . 0 0 "[ . 1 . 2]" 1
1117 1 37 LEU HB2 1 37 LEU MD1 . . 3.400 2.349 2.285 2.429 . 0 0 "[ . 1 . 2]" 1
1118 1 37 LEU HB2 1 38 PRO HD2 . . 4.260 3.587 3.525 3.695 . 0 0 "[ . 1 . 2]" 1
1119 1 37 LEU HB2 1 38 PRO HD3 . . 4.920 4.664 4.620 4.731 . 0 0 "[ . 1 . 2]" 1
1120 1 37 LEU HB2 1 41 GLN HB3 . . 4.370 3.687 3.181 4.049 . 0 0 "[ . 1 . 2]" 1
1121 1 37 LEU HB3 1 37 LEU MD1 . . 3.420 2.336 2.259 2.423 . 0 0 "[ . 1 . 2]" 1
1122 1 37 LEU HB3 1 37 LEU MD2 . . 3.520 2.287 2.146 2.385 . 0 0 "[ . 1 . 2]" 1
1123 1 37 LEU HB3 1 38 PRO HD2 . . 3.580 2.026 1.993 2.160 . 0 0 "[ . 1 . 2]" 1
1124 1 37 LEU HB3 1 38 PRO HD3 . . 3.770 3.465 3.434 3.582 . 0 0 "[ . 1 . 2]" 1
1125 1 37 LEU HB3 1 38 PRO QG . . 4.370 3.666 3.627 3.762 . 0 0 "[ . 1 . 2]" 1
1126 1 37 LEU HB3 1 41 GLN HB3 . . 4.020 2.369 2.048 2.624 . 0 0 "[ . 1 . 2]" 1
1127 1 37 LEU HB3 1 41 GLN QG . . 4.410 3.679 3.296 4.042 . 0 0 "[ . 1 . 2]" 1
1128 1 37 LEU MD1 1 38 PRO HD2 . . 4.220 3.886 3.704 4.034 . 0 0 "[ . 1 . 2]" 1
1129 1 37 LEU MD1 1 38 PRO HD3 . . 5.260 5.114 4.972 5.227 . 0 0 "[ . 1 . 2]" 1
1130 1 37 LEU MD1 1 41 GLN H . . 5.500 5.285 5.146 5.458 . 0 0 "[ . 1 . 2]" 1
1131 1 37 LEU MD1 1 41 GLN HA . . 4.760 4.569 4.261 4.755 . 0 0 "[ . 1 . 2]" 1
1132 1 37 LEU MD1 1 41 GLN HB2 . . 4.180 3.583 3.366 3.814 . 0 0 "[ . 1 . 2]" 1
1133 1 37 LEU MD1 1 41 GLN HB3 . . 3.740 2.480 2.163 2.733 . 0 0 "[ . 1 . 2]" 1
1134 1 37 LEU MD1 1 41 GLN QE . . 5.340 3.999 2.432 4.822 . 0 0 "[ . 1 . 2]" 1
1135 1 37 LEU MD1 1 41 GLN QG . . 4.310 4.163 3.881 4.306 . 0 0 "[ . 1 . 2]" 1
1136 1 37 LEU MD2 1 38 PRO HD2 . . 3.380 2.556 2.343 2.867 . 0 0 "[ . 1 . 2]" 1
1137 1 37 LEU MD2 1 38 PRO HD3 . . 3.450 3.228 3.018 3.452 0.002 10 0 "[ . 1 . 2]" 1
1138 1 37 LEU MD2 1 38 PRO HG2 . . 4.860 4.502 4.277 4.730 . 0 0 "[ . 1 . 2]" 1
1139 1 37 LEU MD2 1 38 PRO QG . . 4.270 4.061 3.885 4.258 . 0 0 "[ . 1 . 2]" 1
1140 1 37 LEU MD2 1 38 PRO HG3 . . 4.860 4.619 4.433 4.834 . 0 0 "[ . 1 . 2]" 1
1141 1 37 LEU MD2 1 41 GLN HA . . 5.380 5.286 5.037 5.380 0.000 8 0 "[ . 1 . 2]" 1
1142 1 37 LEU MD2 1 41 GLN HB2 . . 4.280 3.577 3.258 3.799 . 0 0 "[ . 1 . 2]" 1
1143 1 37 LEU MD2 1 41 GLN HB3 . . 4.040 3.146 2.840 3.266 . 0 0 "[ . 1 . 2]" 1
1144 1 37 LEU MD2 1 41 GLN HE21 . . 4.450 3.282 2.296 4.450 0.000 13 0 "[ . 1 . 2]" 1
1145 1 37 LEU MD2 1 41 GLN QE . . 3.880 2.614 1.797 3.644 . 0 0 "[ . 1 . 2]" 1
1146 1 37 LEU MD2 1 41 GLN HE22 . . 4.450 2.842 1.864 4.350 . 0 0 "[ . 1 . 2]" 1
1147 1 37 LEU MD2 1 41 GLN QG . . 3.960 3.647 3.167 3.956 . 0 0 "[ . 1 . 2]" 1
1148 1 37 LEU HG 1 38 PRO HD2 . . 4.780 4.512 4.378 4.589 . 0 0 "[ . 1 . 2]" 1
1149 1 37 LEU HG 1 38 PRO HD3 . . 5.420 5.249 5.098 5.326 . 0 0 "[ . 1 . 2]" 1
1150 1 37 LEU HG 1 41 GLN HB3 . . 5.000 4.789 4.569 4.970 . 0 0 "[ . 1 . 2]" 1
1151 1 38 PRO HA 1 39 TYR HA . . 4.660 4.342 4.316 4.359 . 0 0 "[ . 1 . 2]" 1
1152 1 38 PRO HB2 1 40 ASP H . . 4.740 2.479 2.331 3.028 . 0 0 "[ . 1 . 2]" 1
1153 1 38 PRO HB2 1 41 GLN H . . 4.130 3.438 3.302 3.620 . 0 0 "[ . 1 . 2]" 1
1154 1 38 PRO HB2 1 41 GLN HB2 . . 4.570 4.058 3.869 4.206 . 0 0 "[ . 1 . 2]" 1
1155 1 38 PRO HB3 1 41 GLN H . . 5.260 4.856 4.707 5.036 . 0 0 "[ . 1 . 2]" 1
1156 1 38 PRO HD2 1 41 GLN H . . 4.820 4.001 3.857 4.124 . 0 0 "[ . 1 . 2]" 1
1157 1 38 PRO HD2 1 41 GLN HB2 . . 3.550 2.007 1.996 2.038 . 0 0 "[ . 1 . 2]" 1
1158 1 38 PRO HD2 1 41 GLN HB3 . . 4.230 2.988 2.761 3.064 . 0 0 "[ . 1 . 2]" 1
1159 1 38 PRO HD2 1 41 GLN QE . . 4.190 3.034 2.027 3.813 . 0 0 "[ . 1 . 2]" 1
1160 1 38 PRO HD2 1 41 GLN QG . . 3.810 2.639 1.986 3.076 . 0 0 "[ . 1 . 2]" 1
1161 1 38 PRO HD3 1 41 GLN H . . 5.500 5.199 5.034 5.354 . 0 0 "[ . 1 . 2]" 1
1162 1 38 PRO HD3 1 41 GLN HB2 . . 3.740 3.645 3.583 3.696 . 0 0 "[ . 1 . 2]" 1
1163 1 38 PRO HD3 1 41 GLN HB3 . . 4.830 4.753 4.531 4.819 . 0 0 "[ . 1 . 2]" 1
1164 1 38 PRO HD3 1 41 GLN QE . . 4.440 3.629 2.442 4.434 . 0 0 "[ . 1 . 2]" 1
1165 1 38 PRO HD3 1 41 GLN QG . . 4.140 3.732 3.055 4.122 . 0 0 "[ . 1 . 2]" 1
1166 1 38 PRO QG 1 41 GLN H . . 3.950 2.565 2.285 2.796 . 0 0 "[ . 1 . 2]" 1
1167 1 38 PRO QG 1 41 GLN HB2 . . 3.840 2.121 1.990 2.262 . 0 0 "[ . 1 . 2]" 1
1168 1 38 PRO QG 1 41 GLN HB3 . . 4.220 3.602 3.409 3.669 . 0 0 "[ . 1 . 2]" 1
1169 1 38 PRO QG 1 41 GLN QE . . 4.120 3.152 2.205 4.065 . 0 0 "[ . 1 . 2]" 1
1170 1 38 PRO HG2 1 41 GLN HB2 . . 4.450 2.137 2.001 2.282 . 0 0 "[ . 1 . 2]" 1
1171 1 38 PRO HG2 1 41 GLN HB3 . . 5.030 3.699 3.494 3.771 . 0 0 "[ . 1 . 2]" 1
1172 1 38 PRO HG2 1 41 GLN HE21 . . 5.500 3.824 2.735 4.934 . 0 0 "[ . 1 . 2]" 1
1173 1 38 PRO HG2 1 41 GLN HE22 . . 5.500 4.891 4.310 5.436 . 0 0 "[ . 1 . 2]" 1
1174 1 38 PRO HG3 1 41 GLN HB2 . . 4.450 3.600 3.494 3.712 . 0 0 "[ . 1 . 2]" 1
1175 1 38 PRO HG3 1 41 GLN HB3 . . 5.030 4.953 4.740 5.032 0.002 9 0 "[ . 1 . 2]" 1
1176 1 38 PRO HG3 1 41 GLN HE21 . . 5.500 3.724 2.352 5.480 . 0 0 "[ . 1 . 2]" 1
1177 1 38 PRO HG3 1 41 GLN HE22 . . 5.500 4.731 3.951 5.522 0.022 2 0 "[ . 1 . 2]" 1
1178 1 39 TYR HA 1 39 TYR QD . . 3.640 2.705 2.164 3.069 . 0 0 "[ . 1 . 2]" 1
1179 1 39 TYR HA 1 39 TYR QE . . 4.890 4.540 4.333 4.636 . 0 0 "[ . 1 . 2]" 1
1180 1 39 TYR HA 1 41 GLN H . . 4.330 3.670 3.519 3.958 . 0 0 "[ . 1 . 2]" 1
1181 1 39 TYR HA 1 42 ALA H . . 4.320 3.368 3.153 3.698 . 0 0 "[ . 1 . 2]" 1
1182 1 39 TYR HA 1 42 ALA MB . . 3.840 2.753 2.458 2.935 . 0 0 "[ . 1 . 2]" 1
1183 1 39 TYR QB 1 42 ALA H . . 5.340 4.914 4.686 5.181 . 0 0 "[ . 1 . 2]" 1
1184 1 39 TYR QD 1 40 ASP HA . . 4.480 3.786 3.452 4.166 . 0 0 "[ . 1 . 2]" 1
1185 1 39 TYR QD 1 40 ASP QB . . 5.340 4.719 3.868 5.279 . 0 0 "[ . 1 . 2]" 1
1186 1 39 TYR QD 1 42 ALA MB . . 4.440 3.606 3.157 3.943 . 0 0 "[ . 1 . 2]" 1
1187 1 40 ASP H 1 41 GLN H . . 3.930 2.533 2.428 2.712 . 0 0 "[ . 1 . 2]" 1
1188 1 40 ASP HA 1 42 ALA H . . 4.230 3.911 3.633 4.183 . 0 0 "[ . 1 . 2]" 1
1189 1 40 ASP HA 1 42 ALA MB . . 4.460 4.445 4.399 4.465 0.005 11 0 "[ . 1 . 2]" 1
1190 1 40 ASP QB 1 41 GLN H . . 3.660 3.299 2.909 3.659 . 0 0 "[ . 1 . 2]" 1
1191 1 40 ASP QB 1 41 GLN QG . . 4.130 3.502 3.109 4.100 . 0 0 "[ . 1 . 2]" 1
1192 1 40 ASP HB2 1 41 GLN H . . 4.530 3.689 2.998 4.434 . 0 0 "[ . 1 . 2]" 1
1193 1 40 ASP HB3 1 41 GLN H . . 4.530 3.979 3.403 4.426 . 0 0 "[ . 1 . 2]" 1
1194 1 41 GLN H 1 41 GLN HB2 . . 3.380 2.359 2.241 2.473 . 0 0 "[ . 1 . 2]" 1
1195 1 41 GLN H 1 41 GLN HB3 . . 3.670 3.590 3.502 3.678 0.008 12 0 "[ . 1 . 2]" 1
1196 1 41 GLN H 1 41 GLN QG . . 3.530 3.077 2.856 3.281 . 0 0 "[ . 1 . 2]" 1
1197 1 41 GLN H 1 42 ALA H . . 3.160 2.153 1.961 2.331 . 0 0 "[ . 1 . 2]" 1
1198 1 41 GLN H 1 42 ALA MB . . 4.110 3.832 3.599 3.927 . 0 0 "[ . 1 . 2]" 1
1199 1 41 GLN HA 1 41 GLN QG . . 3.030 2.294 2.121 2.599 . 0 0 "[ . 1 . 2]" 1
1200 1 41 GLN HB2 1 42 ALA H . . 4.270 3.432 3.099 3.828 . 0 0 "[ . 1 . 2]" 1
1201 1 41 GLN HB3 1 41 GLN QE . . 4.200 3.344 2.121 3.910 . 0 0 "[ . 1 . 2]" 1
1202 1 41 GLN HB3 1 42 ALA H . . 4.530 3.988 3.690 4.300 . 0 0 "[ . 1 . 2]" 1
1203 1 41 GLN QG 1 42 ALA H . . 4.800 4.474 4.353 4.540 . 0 0 "[ . 1 . 2]" 1
1204 1 42 ALA H 1 42 ALA MB . . 3.050 2.194 2.039 2.251 . 0 0 "[ . 1 . 2]" 1
1205 1 42 ALA H 1 43 SER H . . 4.660 4.638 4.623 4.649 . 0 0 "[ . 1 . 2]" 1
1206 1 42 ALA MB 1 43 SER H . . 3.400 2.658 2.442 2.794 . 0 0 "[ . 1 . 2]" 1
1207 1 42 ALA MB 1 43 SER HB2 . . 4.880 4.807 4.680 4.880 . 0 0 "[ . 1 . 2]" 1
1208 1 43 SER H 1 43 SER HB2 . . 4.030 2.793 2.525 3.020 . 0 0 "[ . 1 . 2]" 1
1209 1 43 SER HB2 1 44 TRP H . . 4.270 4.151 3.972 4.258 . 0 0 "[ . 1 . 2]" 1
1210 1 43 SER HB3 1 44 TRP H . . 3.770 3.337 2.691 3.736 . 0 0 "[ . 1 . 2]" 1
1211 1 44 TRP H 1 44 TRP HB2 . . 3.270 2.216 2.188 2.250 . 0 0 "[ . 1 . 2]" 1
1212 1 44 TRP H 1 44 TRP HB3 . . 3.700 3.510 3.488 3.531 . 0 0 "[ . 1 . 2]" 1
1213 1 44 TRP H 1 44 TRP HD1 . . 3.600 3.202 3.043 3.472 . 0 0 "[ . 1 . 2]" 1
1214 1 44 TRP H 1 45 GLU H . . 4.640 4.539 4.449 4.619 . 0 0 "[ . 1 . 2]" 1
1215 1 44 TRP HA 1 44 TRP HD1 . . 4.480 4.086 3.989 4.152 . 0 0 "[ . 1 . 2]" 1
1216 1 44 TRP HA 1 44 TRP HE3 . . 4.370 2.967 2.817 3.121 . 0 0 "[ . 1 . 2]" 1
1217 1 44 TRP HA 1 45 GLU H . . 3.010 2.179 2.141 2.280 . 0 0 "[ . 1 . 2]" 1
1218 1 44 TRP HB2 1 44 TRP HD1 . . 3.560 2.596 2.573 2.623 . 0 0 "[ . 1 . 2]" 1
1219 1 44 TRP HB2 1 44 TRP HE1 . . 4.800 4.766 4.759 4.776 . 0 0 "[ . 1 . 2]" 1
1220 1 44 TRP HB2 1 45 GLU H . . 4.490 4.325 4.079 4.475 . 0 0 "[ . 1 . 2]" 1
1221 1 44 TRP HB3 1 45 GLU H . . 3.850 3.259 2.819 3.561 . 0 0 "[ . 1 . 2]" 1
1222 1 44 TRP HZ3 1 45 GLU H . . 5.240 4.943 4.662 5.141 . 0 0 "[ . 1 . 2]" 1
1223 1 45 GLU H 1 45 GLU HB2 . . 3.790 2.742 2.591 2.893 . 0 0 "[ . 1 . 2]" 1
1224 1 45 GLU H 1 45 GLU HB3 . . 3.950 3.829 3.747 3.920 . 0 0 "[ . 1 . 2]" 1
1225 1 45 GLU H 1 45 GLU HG2 . . 4.030 2.968 2.661 3.198 . 0 0 "[ . 1 . 2]" 1
1226 1 45 GLU H 1 45 GLU HG3 . . 4.600 4.242 4.021 4.415 . 0 0 "[ . 1 . 2]" 1
1227 1 45 GLU H 1 46 SER H . . 4.840 4.223 4.077 4.471 . 0 0 "[ . 1 . 2]" 1
1228 1 45 GLU HA 1 45 GLU HG2 . . 4.160 3.076 2.925 3.194 . 0 0 "[ . 1 . 2]" 1
1229 1 45 GLU HA 1 45 GLU HG3 . . 4.250 3.784 3.707 3.834 . 0 0 "[ . 1 . 2]" 1
1230 1 45 GLU HA 1 46 SER H . . 2.980 2.149 2.138 2.244 . 0 0 "[ . 1 . 2]" 1
1231 1 45 GLU HA 1 46 SER HA . . 4.760 4.368 4.322 4.404 . 0 0 "[ . 1 . 2]" 1
1232 1 45 GLU HA 1 46 SER HB2 . . 5.340 4.825 4.473 5.604 0.264 16 0 "[ . 1 . 2]" 1
1233 1 45 GLU HA 1 46 SER QB . . 4.510 4.215 4.090 4.682 0.172 15 0 "[ . 1 . 2]" 1
1234 1 45 GLU HA 1 46 SER HB3 . . 5.340 4.720 4.233 5.600 0.260 19 0 "[ . 1 . 2]" 1
1235 1 45 GLU HA 1 49 VAL MG1 . . 4.680 3.395 3.180 3.773 . 0 0 "[ . 1 . 2]" 1
1236 1 45 GLU HA 1 49 VAL MG2 . . 4.070 3.751 3.564 4.055 . 0 0 "[ . 1 . 2]" 1
1237 1 45 GLU HB2 1 46 SER H . . 4.380 4.223 3.954 4.343 . 0 0 "[ . 1 . 2]" 1
1238 1 45 GLU HB2 1 49 VAL MG1 . . 4.480 3.966 3.643 4.440 . 0 0 "[ . 1 . 2]" 1
1239 1 45 GLU HB2 1 49 VAL MG2 . . 3.890 2.891 2.645 3.177 . 0 0 "[ . 1 . 2]" 1
1240 1 45 GLU HB2 1 51 ILE MD . . 3.930 3.541 3.213 3.725 . 0 0 "[ . 1 . 2]" 1
1241 1 45 GLU HB2 1 54 TYR HH . . 4.630 3.766 3.250 4.555 . 0 0 "[ . 1 . 2]" 1
1242 1 45 GLU HB3 1 46 SER H . . 3.710 3.391 2.856 3.609 . 0 0 "[ . 1 . 2]" 1
1243 1 45 GLU HB3 1 46 SER QB . . 5.340 4.840 4.617 5.363 0.023 16 0 "[ . 1 . 2]" 1
1244 1 45 GLU HB3 1 49 VAL H . . 5.120 4.671 4.502 4.868 . 0 0 "[ . 1 . 2]" 1
1245 1 45 GLU HB3 1 49 VAL MG1 . . 3.740 2.472 2.040 2.976 . 0 0 "[ . 1 . 2]" 1
1246 1 45 GLU HB3 1 49 VAL MG2 . . 3.430 2.006 1.942 2.209 . 0 0 "[ . 1 . 2]" 1
1247 1 45 GLU HB3 1 51 ILE MD . . 3.780 3.274 2.911 3.466 . 0 0 "[ . 1 . 2]" 1
1248 1 45 GLU HB3 1 54 TYR QE . . 4.880 4.827 4.652 4.885 0.005 3 0 "[ . 1 . 2]" 1
1249 1 45 GLU HG2 1 46 SER H . . 5.220 5.106 4.876 5.220 . 0 0 "[ . 1 . 2]" 1
1250 1 45 GLU HG2 1 49 VAL MG2 . . 4.710 4.517 4.344 4.627 . 0 0 "[ . 1 . 2]" 1
1251 1 45 GLU HG2 1 51 ILE MD . . 4.710 4.499 4.179 4.653 . 0 0 "[ . 1 . 2]" 1
1252 1 45 GLU HG3 1 51 ILE MD . . 4.010 3.118 2.815 3.280 . 0 0 "[ . 1 . 2]" 1
1253 1 46 SER H 1 46 SER HB2 . . 3.560 2.759 2.396 3.524 . 0 0 "[ . 1 . 2]" 1
1254 1 46 SER H 1 46 SER QB . . 3.000 2.363 2.134 2.862 . 0 0 "[ . 1 . 2]" 1
1255 1 46 SER H 1 46 SER HB3 . . 3.560 2.663 2.154 3.497 . 0 0 "[ . 1 . 2]" 1
1256 1 46 SER H 1 47 GLU H . . 4.840 4.610 4.550 4.639 . 0 0 "[ . 1 . 2]" 1
1257 1 46 SER H 1 49 VAL MG1 . . 4.070 3.000 2.548 3.536 . 0 0 "[ . 1 . 2]" 1
1258 1 46 SER H 1 49 VAL MG2 . . 3.710 3.522 2.944 3.722 0.012 11 0 "[ . 1 . 2]" 1
1259 1 46 SER HA 1 47 GLU H . . 3.150 2.526 2.447 2.624 . 0 0 "[ . 1 . 2]" 1
1260 1 46 SER HA 1 47 GLU HG2 . . 4.970 4.549 4.302 4.769 . 0 0 "[ . 1 . 2]" 1
1261 1 46 SER HA 1 47 GLU HG3 . . 5.500 5.481 5.421 5.506 0.006 15 0 "[ . 1 . 2]" 1
1262 1 46 SER HA 1 48 ASP H . . 4.560 4.032 3.912 4.134 . 0 0 "[ . 1 . 2]" 1
1263 1 46 SER HA 1 49 VAL MG1 . . 5.270 4.724 4.415 5.197 . 0 0 "[ . 1 . 2]" 1
1264 1 46 SER HA 1 49 VAL MG2 . . 4.940 4.437 4.157 4.618 . 0 0 "[ . 1 . 2]" 1
1265 1 46 SER QB 1 47 GLU H . . 3.380 2.895 2.085 3.220 . 0 0 "[ . 1 . 2]" 1
1266 1 46 SER QB 1 47 GLU HG3 . . 5.340 4.910 4.128 5.212 . 0 0 "[ . 1 . 2]" 1
1267 1 46 SER QB 1 48 ASP H . . 3.890 2.612 2.140 3.094 . 0 0 "[ . 1 . 2]" 1
1268 1 46 SER QB 1 48 ASP QB . . 4.480 3.110 2.683 3.858 . 0 0 "[ . 1 . 2]" 1
1269 1 46 SER QB 1 49 VAL H . . 3.980 3.310 2.949 3.945 . 0 0 "[ . 1 . 2]" 1
1270 1 46 SER QB 1 49 VAL MG1 . . 3.470 3.064 2.530 3.453 . 0 0 "[ . 1 . 2]" 1
1271 1 46 SER QB 1 49 VAL MG2 . . 3.930 3.758 3.512 3.950 0.020 14 0 "[ . 1 . 2]" 1
1272 1 46 SER HB2 1 47 GLU H . . 4.070 3.334 2.112 3.753 . 0 0 "[ . 1 . 2]" 1
1273 1 46 SER HB2 1 47 GLU HG2 . . 5.500 5.169 3.869 5.502 0.002 3 0 "[ . 1 . 2]" 1
1274 1 46 SER HB3 1 47 GLU H . . 4.070 3.312 2.443 3.808 . 0 0 "[ . 1 . 2]" 1
1275 1 46 SER HB3 1 47 GLU HG2 . . 5.500 5.229 4.258 5.511 0.011 14 0 "[ . 1 . 2]" 1
1276 1 47 GLU H 1 47 GLU QB . . 3.180 2.619 2.514 2.722 . 0 0 "[ . 1 . 2]" 1
1277 1 47 GLU H 1 47 GLU HG2 . . 3.370 2.277 2.015 2.502 . 0 0 "[ . 1 . 2]" 1
1278 1 47 GLU H 1 47 GLU HG3 . . 3.780 2.961 2.865 3.048 . 0 0 "[ . 1 . 2]" 1
1279 1 47 GLU H 1 48 ASP H . . 3.870 2.607 2.350 2.752 . 0 0 "[ . 1 . 2]" 1
1280 1 47 GLU H 1 49 VAL MG2 . . 4.860 4.542 4.202 4.759 . 0 0 "[ . 1 . 2]" 1
1281 1 47 GLU H 1 54 TYR HH . . 4.620 4.375 4.141 4.646 0.026 14 0 "[ . 1 . 2]" 1
1282 1 47 GLU HA 1 47 GLU HG2 . . 4.060 3.878 3.767 3.969 . 0 0 "[ . 1 . 2]" 1
1283 1 47 GLU HA 1 47 GLU HG3 . . 3.990 3.640 3.576 3.728 . 0 0 "[ . 1 . 2]" 1
1284 1 47 GLU HA 1 49 VAL H . . 4.430 3.989 3.481 4.246 . 0 0 "[ . 1 . 2]" 1
1285 1 47 GLU HA 1 54 TYR QE . . 3.790 2.703 2.522 2.858 . 0 0 "[ . 1 . 2]" 1
1286 1 47 GLU HA 1 54 TYR HH . . 3.700 2.357 1.997 2.837 . 0 0 "[ . 1 . 2]" 1
1287 1 47 GLU HA 1 58 LYS HE2 . . 4.220 3.225 2.510 3.704 . 0 0 "[ . 1 . 2]" 1
1288 1 47 GLU HA 1 58 LYS HE3 . . 4.340 2.890 2.385 3.520 . 0 0 "[ . 1 . 2]" 1
1289 1 47 GLU HA 1 58 LYS HG2 . . 5.500 4.814 4.457 5.499 . 0 0 "[ . 1 . 2]" 1
1290 1 47 GLU QB 1 48 ASP H . . 4.460 3.946 3.816 4.007 . 0 0 "[ . 1 . 2]" 1
1291 1 47 GLU QB 1 54 TYR QE . . 4.910 4.138 3.962 4.288 . 0 0 "[ . 1 . 2]" 1
1292 1 47 GLU HG2 1 48 ASP H . . 4.340 4.052 3.508 4.342 0.002 15 0 "[ . 1 . 2]" 1
1293 1 47 GLU HG3 1 48 ASP H . . 3.680 3.459 3.143 3.678 . 0 0 "[ . 1 . 2]" 1
1294 1 47 GLU HG3 1 48 ASP HB2 . . 5.220 3.944 3.502 5.018 . 0 0 "[ . 1 . 2]" 1
1295 1 47 GLU HG3 1 48 ASP QB . . 4.550 3.723 3.411 4.493 . 0 0 "[ . 1 . 2]" 1
1296 1 47 GLU HG3 1 48 ASP HB3 . . 5.220 4.807 3.892 5.222 0.002 19 0 "[ . 1 . 2]" 1
1297 1 48 ASP H 1 48 ASP HB2 . . 3.740 2.909 2.395 3.710 . 0 0 "[ . 1 . 2]" 1
1298 1 48 ASP H 1 48 ASP QB . . 3.210 2.379 2.263 2.564 . 0 0 "[ . 1 . 2]" 1
1299 1 48 ASP H 1 48 ASP HB3 . . 3.740 2.678 2.316 3.716 . 0 0 "[ . 1 . 2]" 1
1300 1 48 ASP H 1 49 VAL H . . 3.140 2.098 1.955 2.267 . 0 0 "[ . 1 . 2]" 1
1301 1 48 ASP H 1 49 VAL MG1 . . 4.080 3.701 3.400 4.011 . 0 0 "[ . 1 . 2]" 1
1302 1 48 ASP H 1 49 VAL MG2 . . 3.480 3.287 3.094 3.483 0.003 18 0 "[ . 1 . 2]" 1
1303 1 48 ASP H 1 54 TYR QE . . 4.460 3.937 3.643 4.322 . 0 0 "[ . 1 . 2]" 1
1304 1 48 ASP QB 1 49 VAL H . . 3.800 2.967 2.709 3.473 . 0 0 "[ . 1 . 2]" 1
1305 1 48 ASP QB 1 49 VAL HA . . 5.230 4.188 3.924 4.592 . 0 0 "[ . 1 . 2]" 1
1306 1 48 ASP QB 1 49 VAL MG1 . . 5.340 3.854 3.576 4.427 . 0 0 "[ . 1 . 2]" 1
1307 1 48 ASP HB2 1 49 VAL H . . 4.350 3.958 2.963 4.290 . 0 0 "[ . 1 . 2]" 1
1308 1 48 ASP HB3 1 49 VAL H . . 4.350 3.183 2.761 4.134 . 0 0 "[ . 1 . 2]" 1
1309 1 49 VAL H 1 49 VAL HB . . 3.650 3.612 3.599 3.628 . 0 0 "[ . 1 . 2]" 1
1310 1 49 VAL H 1 49 VAL MG1 . . 3.420 2.376 2.134 2.640 . 0 0 "[ . 1 . 2]" 1
1311 1 49 VAL H 1 49 VAL MG2 . . 2.990 2.047 1.875 2.248 . 0 0 "[ . 1 . 2]" 1
1312 1 49 VAL H 1 50 GLU H . . 4.900 4.610 4.561 4.646 . 0 0 "[ . 1 . 2]" 1
1313 1 49 VAL H 1 54 TYR QE . . 3.470 3.327 2.861 3.471 0.001 3 0 "[ . 1 . 2]" 1
1314 1 49 VAL H 1 54 TYR HH . . 4.420 3.980 3.601 4.335 . 0 0 "[ . 1 . 2]" 1
1315 1 49 VAL HA 1 49 VAL MG1 . . 2.950 2.198 2.080 2.333 . 0 0 "[ . 1 . 2]" 1
1316 1 49 VAL HA 1 49 VAL MG2 . . 3.270 3.181 3.158 3.200 . 0 0 "[ . 1 . 2]" 1
1317 1 49 VAL HA 1 50 GLU H . . 2.700 2.214 2.171 2.301 . 0 0 "[ . 1 . 2]" 1
1318 1 49 VAL HA 1 50 GLU HA . . 4.370 4.373 4.359 4.383 0.013 11 0 "[ . 1 . 2]" 1
1319 1 49 VAL HA 1 50 GLU HB3 . . 4.680 4.432 4.350 4.490 . 0 0 "[ . 1 . 2]" 1
1320 1 49 VAL HA 1 50 GLU HG2 . . 4.370 3.989 3.907 4.150 . 0 0 "[ . 1 . 2]" 1
1321 1 49 VAL HA 1 51 ILE HG13 . . 5.140 4.779 4.667 5.027 . 0 0 "[ . 1 . 2]" 1
1322 1 49 VAL HA 1 54 TYR QE . . 4.920 4.905 4.779 4.937 0.017 20 0 "[ . 1 . 2]" 1
1323 1 49 VAL HB 1 50 GLU H . . 3.270 2.949 2.643 3.149 . 0 0 "[ . 1 . 2]" 1
1324 1 49 VAL HB 1 51 ILE MD . . 3.800 2.768 2.449 3.080 . 0 0 "[ . 1 . 2]" 1
1325 1 49 VAL HB 1 51 ILE HG12 . . 4.350 3.921 3.779 4.169 . 0 0 "[ . 1 . 2]" 1
1326 1 49 VAL HB 1 51 ILE HG13 . . 4.650 2.951 2.789 3.216 . 0 0 "[ . 1 . 2]" 1
1327 1 49 VAL HB 1 54 TYR QD . . 5.250 4.956 4.721 5.203 . 0 0 "[ . 1 . 2]" 1
1328 1 49 VAL HB 1 54 TYR QE . . 4.710 4.508 4.234 4.699 . 0 0 "[ . 1 . 2]" 1
1329 1 49 VAL MG1 1 50 GLU H . . 3.900 3.688 3.545 3.852 . 0 0 "[ . 1 . 2]" 1
1330 1 49 VAL MG1 1 51 ILE MD . . 4.000 3.539 3.362 3.773 . 0 0 "[ . 1 . 2]" 1
1331 1 49 VAL MG1 1 54 TYR QE . . 4.460 4.439 4.359 4.487 0.027 14 0 "[ . 1 . 2]" 1
1332 1 49 VAL MG2 1 50 GLU H . . 4.100 3.948 3.740 4.106 0.006 14 0 "[ . 1 . 2]" 1
1333 1 49 VAL MG2 1 50 GLU HA . . 4.550 4.283 3.968 4.471 . 0 0 "[ . 1 . 2]" 1
1334 1 49 VAL MG2 1 51 ILE H . . 4.590 4.294 3.847 4.522 . 0 0 "[ . 1 . 2]" 1
1335 1 49 VAL MG2 1 51 ILE HB . . 4.630 4.277 4.101 4.488 . 0 0 "[ . 1 . 2]" 1
1336 1 49 VAL MG2 1 51 ILE MD . . 3.130 2.013 1.879 2.219 . 0 0 "[ . 1 . 2]" 1
1337 1 49 VAL MG2 1 51 ILE HG12 . . 4.320 4.034 3.732 4.318 . 0 0 "[ . 1 . 2]" 1
1338 1 49 VAL MG2 1 51 ILE HG13 . . 3.870 3.076 2.762 3.387 . 0 0 "[ . 1 . 2]" 1
1339 1 49 VAL MG2 1 54 TYR QD . . 3.980 3.229 3.021 3.396 . 0 0 "[ . 1 . 2]" 1
1340 1 49 VAL MG2 1 54 TYR QE . . 3.390 2.023 1.944 2.251 . 0 0 "[ . 1 . 2]" 1
1341 1 49 VAL MG2 1 54 TYR HH . . 4.220 2.333 2.016 2.912 . 0 0 "[ . 1 . 2]" 1
1342 1 50 GLU H 1 50 GLU HB2 . . 3.890 3.693 3.652 3.736 . 0 0 "[ . 1 . 2]" 1
1343 1 50 GLU H 1 50 GLU HB3 . . 3.100 2.841 2.765 2.923 . 0 0 "[ . 1 . 2]" 1
1344 1 50 GLU H 1 50 GLU HG2 . . 3.770 1.996 1.917 2.104 . 0 0 "[ . 1 . 2]" 1
1345 1 50 GLU H 1 50 GLU HG3 . . 3.870 3.392 3.293 3.554 . 0 0 "[ . 1 . 2]" 1
1346 1 50 GLU H 1 51 ILE H . . 4.490 4.257 4.132 4.363 . 0 0 "[ . 1 . 2]" 1
1347 1 50 GLU HA 1 50 GLU HG2 . . 3.700 3.668 3.655 3.688 . 0 0 "[ . 1 . 2]" 1
1348 1 50 GLU HA 1 50 GLU HG3 . . 4.090 3.838 3.810 3.861 . 0 0 "[ . 1 . 2]" 1
1349 1 50 GLU HA 1 51 ILE H . . 2.780 2.156 2.139 2.181 . 0 0 "[ . 1 . 2]" 1
1350 1 50 GLU HA 1 51 ILE HA . . 4.490 4.389 4.384 4.396 . 0 0 "[ . 1 . 2]" 1
1351 1 50 GLU HA 1 51 ILE HB . . 5.010 4.801 4.705 4.858 . 0 0 "[ . 1 . 2]" 1
1352 1 50 GLU HA 1 51 ILE HG12 . . 5.500 5.345 5.215 5.509 0.009 11 0 "[ . 1 . 2]" 1
1353 1 50 GLU HA 1 51 ILE HG13 . . 4.660 3.743 3.594 3.891 . 0 0 "[ . 1 . 2]" 1
1354 1 50 GLU HA 1 54 TYR HB2 . . 4.700 4.213 3.999 4.422 . 0 0 "[ . 1 . 2]" 1
1355 1 50 GLU HA 1 54 TYR HB3 . . 4.560 4.019 3.629 4.554 . 0 0 "[ . 1 . 2]" 1
1356 1 50 GLU HA 1 54 TYR QD . . 4.240 3.160 2.919 3.293 . 0 0 "[ . 1 . 2]" 1
1357 1 50 GLU HB2 1 50 GLU HG3 . . 2.990 2.333 2.312 2.348 . 0 0 "[ . 1 . 2]" 1
1358 1 50 GLU HB2 1 51 ILE H . . 4.220 3.683 3.459 3.837 . 0 0 "[ . 1 . 2]" 1
1359 1 50 GLU HB3 1 51 ILE H . . 4.500 4.420 4.294 4.513 0.013 18 0 "[ . 1 . 2]" 1
1360 1 50 GLU HG2 1 51 ILE H . . 4.980 4.919 4.815 4.969 . 0 0 "[ . 1 . 2]" 1
1361 1 50 GLU HG3 1 51 ILE H . . 4.660 4.627 4.459 4.670 0.010 20 0 "[ . 1 . 2]" 1
1362 1 50 GLU HG3 1 51 ILE HA . . 4.490 4.238 4.092 4.286 . 0 0 "[ . 1 . 2]" 1
1363 1 51 ILE H 1 51 ILE HB . . 3.540 2.803 2.683 2.897 . 0 0 "[ . 1 . 2]" 1
1364 1 51 ILE H 1 51 ILE MD . . 4.080 3.723 3.581 3.921 . 0 0 "[ . 1 . 2]" 1
1365 1 51 ILE H 1 51 ILE HG12 . . 4.290 4.132 4.039 4.231 . 0 0 "[ . 1 . 2]" 1
1366 1 51 ILE H 1 51 ILE HG13 . . 4.040 2.768 2.654 2.929 . 0 0 "[ . 1 . 2]" 1
1367 1 51 ILE H 1 51 ILE MG . . 4.170 3.921 3.871 3.959 . 0 0 "[ . 1 . 2]" 1
1368 1 51 ILE H 1 52 GLN H . . 4.540 4.444 4.370 4.495 . 0 0 "[ . 1 . 2]" 1
1369 1 51 ILE H 1 54 TYR H . . 4.450 3.970 3.772 4.211 . 0 0 "[ . 1 . 2]" 1
1370 1 51 ILE H 1 54 TYR HB2 . . 4.020 2.288 2.061 2.511 . 0 0 "[ . 1 . 2]" 1
1371 1 51 ILE H 1 54 TYR HB3 . . 4.260 2.822 2.581 3.255 . 0 0 "[ . 1 . 2]" 1
1372 1 51 ILE H 1 54 TYR QD . . 3.690 2.963 2.750 3.180 . 0 0 "[ . 1 . 2]" 1
1373 1 51 ILE H 1 54 TYR QE . . 5.020 4.829 4.627 5.010 . 0 0 "[ . 1 . 2]" 1
1374 1 51 ILE HA 1 51 ILE MD . . 4.030 3.929 3.912 3.943 . 0 0 "[ . 1 . 2]" 1
1375 1 51 ILE HA 1 51 ILE HG12 . . 3.530 2.830 2.758 2.888 . 0 0 "[ . 1 . 2]" 1
1376 1 51 ILE HA 1 51 ILE HG13 . . 3.480 2.863 2.796 2.946 . 0 0 "[ . 1 . 2]" 1
1377 1 51 ILE HA 1 51 ILE MG . . 3.050 2.255 2.195 2.355 . 0 0 "[ . 1 . 2]" 1
1378 1 51 ILE HA 1 52 GLN H . . 3.060 2.312 2.229 2.400 . 0 0 "[ . 1 . 2]" 1
1379 1 51 ILE HA 1 52 GLN HB2 . . 4.480 4.395 4.315 4.475 . 0 0 "[ . 1 . 2]" 1
1380 1 51 ILE HA 1 54 TYR QD . . 5.400 5.352 5.195 5.420 0.020 17 0 "[ . 1 . 2]" 1
1381 1 51 ILE HB 1 51 ILE MD . . 3.440 2.231 2.141 2.320 . 0 0 "[ . 1 . 2]" 1
1382 1 51 ILE HB 1 54 TYR H . . 4.080 4.047 3.967 4.092 0.012 3 0 "[ . 1 . 2]" 1
1383 1 51 ILE HB 1 54 TYR HA . . 4.520 3.475 3.319 3.660 . 0 0 "[ . 1 . 2]" 1
1384 1 51 ILE HB 1 54 TYR HB2 . . 3.650 1.991 1.980 1.999 . 0 0 "[ . 1 . 2]" 1
1385 1 51 ILE HB 1 54 TYR HB3 . . 3.700 3.692 3.655 3.708 0.008 15 0 "[ . 1 . 2]" 1
1386 1 51 ILE HB 1 54 TYR QD . . 3.810 3.268 3.141 3.396 . 0 0 "[ . 1 . 2]" 1
1387 1 51 ILE HB 1 54 TYR QE . . 4.670 4.656 4.600 4.692 0.022 6 0 "[ . 1 . 2]" 1
1388 1 51 ILE MD 1 51 ILE MG . . 2.830 2.267 2.152 2.367 . 0 0 "[ . 1 . 2]" 1
1389 1 51 ILE MD 1 54 TYR H . . 5.500 5.487 5.447 5.519 0.019 18 0 "[ . 1 . 2]" 1
1390 1 51 ILE MD 1 54 TYR HA . . 4.540 4.300 4.164 4.442 . 0 0 "[ . 1 . 2]" 1
1391 1 51 ILE MD 1 54 TYR HB2 . . 4.320 3.416 3.343 3.486 . 0 0 "[ . 1 . 2]" 1
1392 1 51 ILE MD 1 54 TYR HB3 . . 4.830 4.521 4.385 4.636 . 0 0 "[ . 1 . 2]" 1
1393 1 51 ILE MD 1 54 TYR QD . . 3.510 3.112 3.010 3.298 . 0 0 "[ . 1 . 2]" 1
1394 1 51 ILE MD 1 54 TYR QE . . 3.760 3.264 3.203 3.382 . 0 0 "[ . 1 . 2]" 1
1395 1 51 ILE HG12 1 51 ILE MG . . 3.300 2.218 2.109 2.275 . 0 0 "[ . 1 . 2]" 1
1396 1 51 ILE HG12 1 54 TYR HB2 . . 5.100 4.754 4.708 4.835 . 0 0 "[ . 1 . 2]" 1
1397 1 51 ILE HG12 1 54 TYR QD . . 5.290 5.262 5.084 5.304 0.014 6 0 "[ . 1 . 2]" 1
1398 1 51 ILE HG13 1 51 ILE MG . . 3.480 3.159 3.146 3.169 . 0 0 "[ . 1 . 2]" 1
1399 1 51 ILE HG13 1 52 GLN H . . 4.990 4.800 4.725 4.913 . 0 0 "[ . 1 . 2]" 1
1400 1 51 ILE HG13 1 54 TYR QD . . 4.580 4.099 3.616 4.246 . 0 0 "[ . 1 . 2]" 1
1401 1 51 ILE HG13 1 54 TYR QE . . 5.130 4.804 4.400 4.936 . 0 0 "[ . 1 . 2]" 1
1402 1 51 ILE MG 1 52 GLN H . . 3.430 1.898 1.826 1.976 . 0 0 "[ . 1 . 2]" 1
1403 1 51 ILE MG 1 52 GLN HA . . 4.470 4.017 3.905 4.092 . 0 0 "[ . 1 . 2]" 1
1404 1 51 ILE MG 1 52 GLN HB2 . . 4.020 3.344 3.148 3.542 . 0 0 "[ . 1 . 2]" 1
1405 1 51 ILE MG 1 52 GLN HB3 . . 3.990 3.376 3.191 3.539 . 0 0 "[ . 1 . 2]" 1
1406 1 51 ILE MG 1 52 GLN QG . . 4.820 4.644 4.499 4.771 . 0 0 "[ . 1 . 2]" 1
1407 1 51 ILE MG 1 54 TYR H . . 4.510 4.394 4.295 4.508 . 0 0 "[ . 1 . 2]" 1
1408 1 51 ILE MG 1 54 TYR HA . . 4.420 4.101 3.687 4.351 . 0 0 "[ . 1 . 2]" 1
1409 1 51 ILE MG 1 54 TYR HB2 . . 3.860 3.450 3.401 3.479 . 0 0 "[ . 1 . 2]" 1
1410 1 51 ILE MG 1 54 TYR HB3 . . 4.930 4.915 4.871 4.940 0.010 8 0 "[ . 1 . 2]" 1
1411 1 51 ILE MG 1 54 TYR QD . . 4.440 4.162 4.033 4.293 . 0 0 "[ . 1 . 2]" 1
1412 1 51 ILE MG 1 54 TYR QE . . 5.260 5.255 5.147 5.287 0.027 18 0 "[ . 1 . 2]" 1
1413 1 52 GLN H 1 52 GLN HB2 . . 3.420 2.175 2.161 2.199 . 0 0 "[ . 1 . 2]" 1
1414 1 52 GLN H 1 52 GLN HB3 . . 3.360 2.960 2.907 3.004 . 0 0 "[ . 1 . 2]" 1
1415 1 52 GLN H 1 52 GLN QG . . 4.040 3.902 3.749 4.037 . 0 0 "[ . 1 . 2]" 1
1416 1 52 GLN HA 1 52 GLN QG . . 3.090 2.394 2.133 2.762 . 0 0 "[ . 1 . 2]" 1
1417 1 52 GLN HA 1 53 ASP H . . 2.720 2.148 2.138 2.165 . 0 0 "[ . 1 . 2]" 1
1418 1 52 GLN HA 1 53 ASP QB . . 4.610 4.489 4.328 4.628 0.018 18 0 "[ . 1 . 2]" 1
1419 1 52 GLN HA 1 54 TYR H . . 3.960 3.777 3.676 3.883 . 0 0 "[ . 1 . 2]" 1
1420 1 52 GLN HB2 1 53 ASP H . . 4.490 4.422 4.354 4.485 . 0 0 "[ . 1 . 2]" 1
1421 1 52 GLN HB3 1 52 GLN HE22 . . 5.500 4.785 3.614 5.383 . 0 0 "[ . 1 . 2]" 1
1422 1 52 GLN HB3 1 53 ASP H . . 4.060 3.954 3.855 4.032 . 0 0 "[ . 1 . 2]" 1
1423 1 52 GLN HB3 1 53 ASP HA . . 5.500 5.502 5.435 5.538 0.038 19 0 "[ . 1 . 2]" 1
1424 1 52 GLN HB3 1 53 ASP QB . . 4.630 3.941 3.696 4.575 . 0 0 "[ . 1 . 2]" 1
1425 1 52 GLN QE 1 53 ASP H . . 5.150 4.764 3.360 5.165 0.015 20 0 "[ . 1 . 2]" 1
1426 1 52 GLN QG 1 53 ASP H . . 3.420 2.877 2.641 3.279 . 0 0 "[ . 1 . 2]" 1
1427 1 52 GLN QG 1 53 ASP HA . . 4.780 4.518 4.354 4.745 . 0 0 "[ . 1 . 2]" 1
1428 1 52 GLN QG 1 53 ASP QB . . 3.900 3.610 3.416 3.792 . 0 0 "[ . 1 . 2]" 1
1429 1 53 ASP H 1 54 TYR H . . 3.530 2.863 2.735 2.992 . 0 0 "[ . 1 . 2]" 1
1430 1 53 ASP HA 1 55 ASP H . . 4.370 3.742 3.570 4.046 . 0 0 "[ . 1 . 2]" 1
1431 1 53 ASP HA 1 56 LEU H . . 4.020 3.332 3.200 3.436 . 0 0 "[ . 1 . 2]" 1
1432 1 53 ASP HA 1 56 LEU HB2 . . 4.520 3.516 3.216 3.789 . 0 0 "[ . 1 . 2]" 1
1433 1 53 ASP HA 1 56 LEU HB3 . . 5.330 5.037 4.782 5.318 . 0 0 "[ . 1 . 2]" 1
1434 1 53 ASP HA 1 56 LEU MD1 . . 4.590 3.659 3.119 4.615 0.025 14 0 "[ . 1 . 2]" 1
1435 1 53 ASP HA 1 56 LEU QD . . 3.770 3.069 2.455 3.439 . 0 0 "[ . 1 . 2]" 1
1436 1 53 ASP HA 1 56 LEU MD2 . . 4.590 3.957 2.464 4.593 0.003 1 0 "[ . 1 . 2]" 1
1437 1 53 ASP HA 1 56 LEU HG . . 4.440 2.948 2.546 3.188 . 0 0 "[ . 1 . 2]" 1
1438 1 53 ASP QB 1 56 LEU H . . 4.220 3.760 3.543 3.988 . 0 0 "[ . 1 . 2]" 1
1439 1 53 ASP QB 1 56 LEU HB2 . . 3.650 2.325 2.168 2.507 . 0 0 "[ . 1 . 2]" 1
1440 1 53 ASP QB 1 56 LEU HB3 . . 3.860 3.576 3.339 3.779 . 0 0 "[ . 1 . 2]" 1
1441 1 53 ASP QB 1 56 LEU QD . . 3.280 2.433 1.959 3.281 0.001 5 0 "[ . 1 . 2]" 1
1442 1 53 ASP QB 1 56 LEU HG . . 3.890 2.902 2.214 3.460 . 0 0 "[ . 1 . 2]" 1
1443 1 53 ASP QB 1 57 PHE H . . 4.430 3.811 3.627 3.998 . 0 0 "[ . 1 . 2]" 1
1444 1 53 ASP QB 1 57 PHE QD . . 3.580 2.998 2.703 3.228 . 0 0 "[ . 1 . 2]" 1
1445 1 53 ASP QB 1 57 PHE QE . . 3.300 2.941 2.709 3.298 . 0 0 "[ . 1 . 2]" 1
1446 1 53 ASP HB2 1 54 TYR H . . 5.340 4.255 4.170 4.420 . 0 0 "[ . 1 . 2]" 1
1447 1 53 ASP HB2 1 57 PHE QE . . 3.950 3.147 2.778 3.562 . 0 0 "[ . 1 . 2]" 1
1448 1 53 ASP HB3 1 54 TYR H . . 5.340 4.479 4.394 4.653 . 0 0 "[ . 1 . 2]" 1
1449 1 53 ASP HB3 1 57 PHE QE . . 3.950 3.626 3.217 3.964 0.014 18 0 "[ . 1 . 2]" 1
1450 1 54 TYR H 1 54 TYR HB2 . . 3.060 2.505 2.483 2.532 . 0 0 "[ . 1 . 2]" 1
1451 1 54 TYR H 1 54 TYR HB3 . . 3.160 2.572 2.550 2.588 . 0 0 "[ . 1 . 2]" 1
1452 1 54 TYR H 1 54 TYR QD . . 4.290 4.176 4.166 4.185 . 0 0 "[ . 1 . 2]" 1
1453 1 54 TYR H 1 55 ASP H . . 3.600 2.629 2.534 2.734 . 0 0 "[ . 1 . 2]" 1
1454 1 54 TYR H 1 55 ASP QB . . 4.920 4.611 4.316 4.826 . 0 0 "[ . 1 . 2]" 1
1455 1 54 TYR HA 1 54 TYR QD . . 2.970 1.968 1.926 1.998 . 0 0 "[ . 1 . 2]" 1
1456 1 54 TYR HA 1 57 PHE HB3 . . 5.360 4.845 4.583 5.220 . 0 0 "[ . 1 . 2]" 1
1457 1 54 TYR HA 1 57 PHE QD . . 4.250 3.877 3.685 4.108 . 0 0 "[ . 1 . 2]" 1
1458 1 54 TYR HB2 1 55 ASP H . . 3.840 3.800 3.681 3.855 0.015 16 0 "[ . 1 . 2]" 1
1459 1 54 TYR HB3 1 55 ASP H . . 3.610 2.524 2.285 2.644 . 0 0 "[ . 1 . 2]" 1
1460 1 54 TYR HB3 1 55 ASP HA . . 4.230 4.179 4.120 4.211 . 0 0 "[ . 1 . 2]" 1
1461 1 54 TYR HB3 1 55 ASP QB . . 4.740 4.485 3.847 4.717 . 0 0 "[ . 1 . 2]" 1
1462 1 54 TYR HB3 1 56 LEU H . . 5.250 4.942 4.776 5.154 . 0 0 "[ . 1 . 2]" 1
1463 1 54 TYR HB3 1 58 LYS HD2 . . 4.550 3.833 3.602 4.217 . 0 0 "[ . 1 . 2]" 1
1464 1 54 TYR HB3 1 58 LYS HD3 . . 4.700 4.561 4.308 4.704 0.004 10 0 "[ . 1 . 2]" 1
1465 1 54 TYR HB3 1 58 LYS HE3 . . 5.250 5.184 4.806 5.267 0.017 8 0 "[ . 1 . 2]" 1
1466 1 54 TYR QD 1 55 ASP H . . 4.460 4.131 3.909 4.248 . 0 0 "[ . 1 . 2]" 1
1467 1 54 TYR QD 1 55 ASP HA . . 4.750 4.526 4.351 4.626 . 0 0 "[ . 1 . 2]" 1
1468 1 54 TYR QD 1 57 PHE H . . 4.910 4.795 4.504 4.953 0.043 18 0 "[ . 1 . 2]" 1
1469 1 54 TYR QD 1 57 PHE HB2 . . 4.130 3.408 3.246 3.629 . 0 0 "[ . 1 . 2]" 1
1470 1 54 TYR QD 1 58 LYS H . . 4.310 4.242 3.846 4.333 0.023 3 0 "[ . 1 . 2]" 1
1471 1 54 TYR QD 1 58 LYS HD2 . . 4.630 2.923 2.566 3.121 . 0 0 "[ . 1 . 2]" 1
1472 1 54 TYR QD 1 58 LYS HE2 . . 5.090 4.756 4.271 5.008 . 0 0 "[ . 1 . 2]" 1
1473 1 54 TYR QD 1 58 LYS HE3 . . 4.240 3.779 3.267 4.154 . 0 0 "[ . 1 . 2]" 1
1474 1 54 TYR QD 1 58 LYS HG2 . . 4.980 4.474 4.312 4.831 . 0 0 "[ . 1 . 2]" 1
1475 1 54 TYR QD 1 58 LYS HG3 . . 3.750 3.483 3.170 3.666 . 0 0 "[ . 1 . 2]" 1
1476 1 54 TYR QE 1 58 LYS H . . 5.120 4.887 4.580 5.062 . 0 0 "[ . 1 . 2]" 1
1477 1 54 TYR QE 1 58 LYS HD2 . . 4.470 3.039 2.643 3.301 . 0 0 "[ . 1 . 2]" 1
1478 1 54 TYR QE 1 58 LYS HE2 . . 4.610 3.729 2.986 4.215 . 0 0 "[ . 1 . 2]" 1
1479 1 54 TYR QE 1 58 LYS HG3 . . 4.660 3.407 3.049 3.578 . 0 0 "[ . 1 . 2]" 1
1480 1 55 ASP H 1 55 ASP QB . . 3.100 2.432 2.140 2.616 . 0 0 "[ . 1 . 2]" 1
1481 1 55 ASP H 1 56 LEU H . . 3.340 2.663 2.544 2.779 . 0 0 "[ . 1 . 2]" 1
1482 1 55 ASP H 1 56 LEU HG . . 5.480 4.765 4.362 5.499 0.019 10 0 "[ . 1 . 2]" 1
1483 1 55 ASP H 1 57 PHE H . . 4.890 4.535 4.365 4.686 . 0 0 "[ . 1 . 2]" 1
1484 1 55 ASP H 1 58 LYS HD2 . . 5.500 4.416 4.165 4.685 . 0 0 "[ . 1 . 2]" 1
1485 1 55 ASP H 1 58 LYS HD3 . . 4.770 4.222 3.965 4.335 . 0 0 "[ . 1 . 2]" 1
1486 1 55 ASP HA 1 56 LEU QD . . 5.170 4.828 4.135 5.116 . 0 0 "[ . 1 . 2]" 1
1487 1 55 ASP HA 1 57 PHE H . . 4.910 4.683 4.499 4.820 . 0 0 "[ . 1 . 2]" 1
1488 1 55 ASP HA 1 58 LYS H . . 3.790 3.745 3.598 3.804 0.014 7 0 "[ . 1 . 2]" 1
1489 1 55 ASP HA 1 58 LYS HB2 . . 3.330 2.913 2.672 3.045 . 0 0 "[ . 1 . 2]" 1
1490 1 55 ASP HA 1 58 LYS HB3 . . 4.710 4.518 4.279 4.649 . 0 0 "[ . 1 . 2]" 1
1491 1 55 ASP HA 1 58 LYS HD2 . . 3.850 3.218 2.963 3.448 . 0 0 "[ . 1 . 2]" 1
1492 1 55 ASP HA 1 58 LYS HD3 . . 3.290 1.989 1.956 2.033 . 0 0 "[ . 1 . 2]" 1
1493 1 55 ASP HA 1 58 LYS HE2 . . 5.060 4.792 4.546 4.984 . 0 0 "[ . 1 . 2]" 1
1494 1 55 ASP HA 1 58 LYS HE3 . . 4.720 4.388 3.973 4.794 0.074 18 0 "[ . 1 . 2]" 1
1495 1 55 ASP HA 1 58 LYS HG2 . . 4.900 4.781 4.550 4.891 . 0 0 "[ . 1 . 2]" 1
1496 1 55 ASP HA 1 58 LYS HG3 . . 4.150 3.919 3.566 4.038 . 0 0 "[ . 1 . 2]" 1
1497 1 55 ASP HA 1 59 GLN H . . 4.350 3.972 3.809 4.134 . 0 0 "[ . 1 . 2]" 1
1498 1 55 ASP HA 1 59 GLN QB . . 4.910 4.504 4.341 4.663 . 0 0 "[ . 1 . 2]" 1
1499 1 55 ASP QB 1 56 LEU H . . 3.410 2.630 2.398 2.799 . 0 0 "[ . 1 . 2]" 1
1500 1 55 ASP QB 1 56 LEU HA . . 4.180 3.864 3.776 3.915 . 0 0 "[ . 1 . 2]" 1
1501 1 55 ASP QB 1 56 LEU HB2 . . 5.030 4.774 4.698 4.851 . 0 0 "[ . 1 . 2]" 1
1502 1 55 ASP QB 1 56 LEU HB3 . . 5.500 5.494 5.427 5.539 0.039 14 0 "[ . 1 . 2]" 1
1503 1 55 ASP QB 1 56 LEU MD1 . . 5.210 4.936 4.487 5.132 . 0 0 "[ . 1 . 2]" 1
1504 1 55 ASP QB 1 56 LEU QD . . 4.110 3.079 2.405 3.454 . 0 0 "[ . 1 . 2]" 1
1505 1 55 ASP QB 1 56 LEU MD2 . . 5.210 3.115 2.415 3.516 . 0 0 "[ . 1 . 2]" 1
1506 1 55 ASP QB 1 56 LEU HG . . 5.500 4.126 3.700 5.126 . 0 0 "[ . 1 . 2]" 1
1507 1 55 ASP QB 1 58 LYS HB2 . . 4.640 4.546 4.276 4.711 0.071 20 0 "[ . 1 . 2]" 1
1508 1 55 ASP QB 1 58 LYS HD2 . . 5.500 5.083 4.666 5.372 . 0 0 "[ . 1 . 2]" 1
1509 1 55 ASP QB 1 58 LYS HD3 . . 4.440 4.033 3.925 4.178 . 0 0 "[ . 1 . 2]" 1
1510 1 55 ASP QB 1 59 GLN H . . 5.310 4.665 4.420 4.923 . 0 0 "[ . 1 . 2]" 1
1511 1 55 ASP QB 1 59 GLN QB . . 4.720 4.046 3.731 4.447 . 0 0 "[ . 1 . 2]" 1
1512 1 56 LEU H 1 56 LEU HB2 . . 3.120 2.427 2.371 2.522 . 0 0 "[ . 1 . 2]" 1
1513 1 56 LEU H 1 56 LEU HB3 . . 3.600 3.579 3.568 3.598 . 0 0 "[ . 1 . 2]" 1
1514 1 56 LEU H 1 56 LEU MD1 . . 3.880 3.872 3.819 3.913 0.033 18 0 "[ . 1 . 2]" 1
1515 1 56 LEU H 1 56 LEU QD . . 3.410 2.611 1.807 2.991 . 0 0 "[ . 1 . 2]" 1
1516 1 56 LEU H 1 56 LEU MD2 . . 3.880 2.682 1.810 3.110 . 0 0 "[ . 1 . 2]" 1
1517 1 56 LEU H 1 56 LEU HG . . 3.890 2.688 2.363 3.502 . 0 0 "[ . 1 . 2]" 1
1518 1 56 LEU H 1 57 PHE H . . 3.290 2.877 2.698 3.042 . 0 0 "[ . 1 . 2]" 1
1519 1 56 LEU H 1 58 LYS H . . 4.800 4.480 4.287 4.722 . 0 0 "[ . 1 . 2]" 1
1520 1 56 LEU H 1 59 GLN QB . . 5.500 4.619 4.468 4.785 . 0 0 "[ . 1 . 2]" 1
1521 1 56 LEU HA 1 56 LEU HB3 . . 3.010 2.517 2.481 2.554 . 0 0 "[ . 1 . 2]" 1
1522 1 56 LEU HA 1 56 LEU MD1 . . 3.750 3.435 2.439 3.753 0.003 9 0 "[ . 1 . 2]" 1
1523 1 56 LEU HA 1 56 LEU QD . . 2.870 1.959 1.911 2.050 . 0 0 "[ . 1 . 2]" 1
1524 1 56 LEU HA 1 56 LEU MD2 . . 3.750 1.986 1.918 2.192 . 0 0 "[ . 1 . 2]" 1
1525 1 56 LEU HA 1 56 LEU HG . . 3.640 3.389 3.208 3.784 0.144 14 0 "[ . 1 . 2]" 1
1526 1 56 LEU HA 1 58 LYS H . . 5.020 4.889 4.674 5.028 0.008 6 0 "[ . 1 . 2]" 1
1527 1 56 LEU HA 1 59 GLN H . . 3.920 3.671 3.542 3.764 . 0 0 "[ . 1 . 2]" 1
1528 1 56 LEU HA 1 59 GLN QB . . 3.000 2.652 2.552 2.751 . 0 0 "[ . 1 . 2]" 1
1529 1 56 LEU HA 1 59 GLN QG . . 4.370 4.122 3.802 4.307 . 0 0 "[ . 1 . 2]" 1
1530 1 56 LEU HA 1 60 SER H . . 4.640 4.266 4.020 4.540 . 0 0 "[ . 1 . 2]" 1
1531 1 56 LEU HB2 1 56 LEU MD1 . . 3.470 2.673 2.485 3.129 . 0 0 "[ . 1 . 2]" 1
1532 1 56 LEU HB2 1 56 LEU QD . . 2.940 2.452 2.402 2.516 . 0 0 "[ . 1 . 2]" 1
1533 1 56 LEU HB2 1 56 LEU MD2 . . 3.470 3.044 2.609 3.182 . 0 0 "[ . 1 . 2]" 1
1534 1 56 LEU HB2 1 56 LEU HG . . 2.940 2.331 2.273 2.365 . 0 0 "[ . 1 . 2]" 1
1535 1 56 LEU HB2 1 57 PHE H . . 3.650 2.347 2.224 2.472 . 0 0 "[ . 1 . 2]" 1
1536 1 56 LEU HB2 1 57 PHE HA . . 4.620 4.325 4.245 4.405 . 0 0 "[ . 1 . 2]" 1
1537 1 56 LEU HB2 1 57 PHE QD . . 4.370 2.759 2.588 2.864 . 0 0 "[ . 1 . 2]" 1
1538 1 56 LEU HB2 1 59 GLN QB . . 5.260 5.191 5.059 5.265 0.005 3 0 "[ . 1 . 2]" 1
1539 1 56 LEU HB3 1 56 LEU MD1 . . 3.270 2.143 1.994 2.221 . 0 0 "[ . 1 . 2]" 1
1540 1 56 LEU HB3 1 56 LEU MD2 . . 3.270 2.662 2.466 3.152 . 0 0 "[ . 1 . 2]" 1
1541 1 56 LEU HB3 1 57 PHE H . . 3.580 3.266 3.146 3.392 . 0 0 "[ . 1 . 2]" 1
1542 1 56 LEU HB3 1 57 PHE HA . . 4.530 4.187 4.098 4.283 . 0 0 "[ . 1 . 2]" 1
1543 1 56 LEU HB3 1 57 PHE QD . . 4.230 3.761 3.445 3.948 . 0 0 "[ . 1 . 2]" 1
1544 1 56 LEU HB3 1 59 GLN H . . 5.500 5.414 5.332 5.510 0.010 6 0 "[ . 1 . 2]" 1
1545 1 56 LEU HB3 1 59 GLN QB . . 4.580 4.551 4.437 4.594 0.014 8 0 "[ . 1 . 2]" 1
1546 1 56 LEU QD 1 57 PHE QD . . 4.450 4.200 4.072 4.407 . 0 0 "[ . 1 . 2]" 1
1547 1 56 LEU QD 1 57 PHE QE . . 5.200 4.660 4.298 5.199 . 0 0 "[ . 1 . 2]" 1
1548 1 56 LEU QD 1 59 GLN H . . 5.140 4.776 4.616 4.877 . 0 0 "[ . 1 . 2]" 1
1549 1 56 LEU QD 1 59 GLN QB . . 4.010 3.561 3.483 3.637 . 0 0 "[ . 1 . 2]" 1
1550 1 56 LEU QD 1 59 GLN QG . . 4.530 4.214 3.950 4.512 . 0 0 "[ . 1 . 2]" 1
1551 1 56 LEU MD1 1 57 PHE H . . 4.650 4.506 4.365 4.694 0.044 18 0 "[ . 1 . 2]" 1
1552 1 56 LEU MD1 1 57 PHE QD . . 5.430 4.508 4.253 5.100 . 0 0 "[ . 1 . 2]" 1
1553 1 56 LEU MD1 1 59 GLN QB . . 5.500 5.143 4.115 5.507 0.007 4 0 "[ . 1 . 2]" 1
1554 1 56 LEU MD2 1 57 PHE H . . 4.650 4.349 3.889 4.518 . 0 0 "[ . 1 . 2]" 1
1555 1 56 LEU MD2 1 57 PHE QD . . 5.430 5.191 4.639 5.420 . 0 0 "[ . 1 . 2]" 1
1556 1 56 LEU MD2 1 59 GLN QB . . 5.500 3.678 3.526 4.049 . 0 0 "[ . 1 . 2]" 1
1557 1 56 LEU HG 1 57 PHE H . . 4.760 4.400 4.262 4.642 . 0 0 "[ . 1 . 2]" 1
1558 1 56 LEU HG 1 57 PHE QD . . 5.120 4.908 4.638 5.061 . 0 0 "[ . 1 . 2]" 1
1559 1 57 PHE H 1 57 PHE HB2 . . 3.340 2.281 2.246 2.329 . 0 0 "[ . 1 . 2]" 1
1560 1 57 PHE H 1 57 PHE HB3 . . 3.630 3.545 3.530 3.562 . 0 0 "[ . 1 . 2]" 1
1561 1 57 PHE H 1 57 PHE QD . . 3.710 2.034 1.897 2.141 . 0 0 "[ . 1 . 2]" 1
1562 1 57 PHE H 1 58 LYS H . . 3.360 2.931 2.859 2.991 . 0 0 "[ . 1 . 2]" 1
1563 1 57 PHE H 1 58 LYS HA . . 5.500 5.466 5.415 5.504 0.004 19 0 "[ . 1 . 2]" 1
1564 1 57 PHE H 1 58 LYS HB2 . . 5.350 5.112 5.016 5.184 . 0 0 "[ . 1 . 2]" 1
1565 1 57 PHE H 1 58 LYS HG3 . . 5.050 4.494 4.369 4.743 . 0 0 "[ . 1 . 2]" 1
1566 1 57 PHE H 1 59 GLN H . . 4.390 4.162 4.069 4.246 . 0 0 "[ . 1 . 2]" 1
1567 1 57 PHE HA 1 57 PHE QD . . 3.240 3.006 2.847 3.067 . 0 0 "[ . 1 . 2]" 1
1568 1 57 PHE HA 1 59 GLN H . . 4.540 4.401 4.266 4.520 . 0 0 "[ . 1 . 2]" 1
1569 1 57 PHE HA 1 60 SER H . . 3.610 3.423 3.340 3.538 . 0 0 "[ . 1 . 2]" 1
1570 1 57 PHE HA 1 60 SER QB . . 3.230 2.706 2.460 3.118 . 0 0 "[ . 1 . 2]" 1
1571 1 57 PHE HB2 1 58 LYS H . . 3.880 2.466 2.348 2.585 . 0 0 "[ . 1 . 2]" 1
1572 1 57 PHE HB3 1 58 LYS H . . 4.090 3.019 2.897 3.154 . 0 0 "[ . 1 . 2]" 1
1573 1 57 PHE HB3 1 60 SER QB . . 5.340 4.598 4.415 4.918 . 0 0 "[ . 1 . 2]" 1
1574 1 57 PHE QD 1 58 LYS H . . 4.420 4.280 4.199 4.344 . 0 0 "[ . 1 . 2]" 1
1575 1 57 PHE QD 1 60 SER QB . . 5.140 4.728 4.531 5.046 . 0 0 "[ . 1 . 2]" 1
1576 1 57 PHE QD 1 61 TYR H . . 5.500 5.415 5.293 5.504 0.004 4 0 "[ . 1 . 2]" 1
1577 1 58 LYS H 1 58 LYS HB2 . . 3.280 2.661 2.599 2.679 . 0 0 "[ . 1 . 2]" 1
1578 1 58 LYS H 1 58 LYS HB3 . . 3.770 3.585 3.582 3.594 . 0 0 "[ . 1 . 2]" 1
1579 1 58 LYS H 1 58 LYS HD2 . . 4.210 3.674 3.619 3.761 . 0 0 "[ . 1 . 2]" 1
1580 1 58 LYS H 1 58 LYS HD3 . . 3.890 3.393 3.299 3.635 . 0 0 "[ . 1 . 2]" 1
1581 1 58 LYS H 1 58 LYS HE2 . . 5.410 5.116 5.004 5.275 . 0 0 "[ . 1 . 2]" 1
1582 1 58 LYS H 1 58 LYS HE3 . . 5.500 5.486 5.390 5.578 0.078 6 0 "[ . 1 . 2]" 1
1583 1 58 LYS H 1 58 LYS HG2 . . 3.960 3.454 3.384 3.582 . 0 0 "[ . 1 . 2]" 1
1584 1 58 LYS H 1 58 LYS HG3 . . 3.470 1.911 1.888 2.057 . 0 0 "[ . 1 . 2]" 1
1585 1 58 LYS H 1 59 GLN H . . 3.440 2.815 2.763 2.875 . 0 0 "[ . 1 . 2]" 1
1586 1 58 LYS H 1 59 GLN HA . . 5.500 5.394 5.352 5.438 . 0 0 "[ . 1 . 2]" 1
1587 1 58 LYS H 1 59 GLN QB . . 4.630 4.552 4.507 4.608 . 0 0 "[ . 1 . 2]" 1
1588 1 58 LYS H 1 60 SER H . . 4.640 4.175 4.027 4.470 . 0 0 "[ . 1 . 2]" 1
1589 1 58 LYS HA 1 58 LYS HD2 . . 5.420 4.894 4.811 4.925 . 0 0 "[ . 1 . 2]" 1
1590 1 58 LYS HA 1 58 LYS HD3 . . 4.610 4.527 4.477 4.556 . 0 0 "[ . 1 . 2]" 1
1591 1 58 LYS HA 1 58 LYS HE2 . . 5.130 4.865 4.536 5.135 0.005 19 0 "[ . 1 . 2]" 1
1592 1 58 LYS HA 1 58 LYS HG2 . . 3.790 2.941 2.857 2.967 . 0 0 "[ . 1 . 2]" 1
1593 1 58 LYS HA 1 58 LYS HG3 . . 3.600 2.822 2.711 2.920 . 0 0 "[ . 1 . 2]" 1
1594 1 58 LYS HA 1 59 GLN HA . . 5.030 4.778 4.757 4.809 . 0 0 "[ . 1 . 2]" 1
1595 1 58 LYS HA 1 59 GLN QB . . 5.210 5.203 5.189 5.212 0.002 15 0 "[ . 1 . 2]" 1
1596 1 58 LYS HA 1 61 TYR H . . 4.100 4.014 3.811 4.103 0.003 3 0 "[ . 1 . 2]" 1
1597 1 58 LYS HA 1 61 TYR HB2 . . 4.400 4.178 3.855 4.338 . 0 0 "[ . 1 . 2]" 1
1598 1 58 LYS HA 1 61 TYR QB . . 3.550 2.956 2.670 3.173 . 0 0 "[ . 1 . 2]" 1
1599 1 58 LYS HA 1 61 TYR HB3 . . 4.400 3.024 2.722 3.271 . 0 0 "[ . 1 . 2]" 1
1600 1 58 LYS HA 1 62 TRP H . . 4.150 4.045 3.827 4.150 0.000 9 0 "[ . 1 . 2]" 1
1601 1 58 LYS HA 1 62 TRP HD1 . . 4.380 4.064 3.935 4.163 . 0 0 "[ . 1 . 2]" 1
1602 1 58 LYS HB2 1 58 LYS HD2 . . 3.640 3.406 3.369 3.453 . 0 0 "[ . 1 . 2]" 1
1603 1 58 LYS HB2 1 58 LYS HD3 . . 3.600 2.082 2.055 2.119 . 0 0 "[ . 1 . 2]" 1
1604 1 58 LYS HB2 1 58 LYS HE3 . . 5.270 4.230 4.007 4.443 . 0 0 "[ . 1 . 2]" 1
1605 1 58 LYS HB2 1 59 GLN H . . 3.350 2.579 2.486 2.676 . 0 0 "[ . 1 . 2]" 1
1606 1 58 LYS HB2 1 59 GLN QB . . 4.400 3.997 3.928 4.105 . 0 0 "[ . 1 . 2]" 1
1607 1 58 LYS HB2 1 60 SER H . . 5.330 4.939 4.814 5.212 . 0 0 "[ . 1 . 2]" 1
1608 1 58 LYS HB2 1 62 TRP HD1 . . 4.480 4.177 3.900 4.331 . 0 0 "[ . 1 . 2]" 1
1609 1 58 LYS HB3 1 58 LYS HD3 . . 3.760 3.106 2.958 3.195 . 0 0 "[ . 1 . 2]" 1
1610 1 58 LYS HB3 1 58 LYS HE2 . . 4.240 3.094 2.629 3.633 . 0 0 "[ . 1 . 2]" 1
1611 1 58 LYS HB3 1 58 LYS HE3 . . 4.930 4.197 4.067 4.380 . 0 0 "[ . 1 . 2]" 1
1612 1 58 LYS HB3 1 59 GLN H . . 3.910 3.737 3.629 3.822 . 0 0 "[ . 1 . 2]" 1
1613 1 58 LYS HB3 1 62 TRP HD1 . . 3.710 3.328 3.038 3.390 . 0 0 "[ . 1 . 2]" 1
1614 1 58 LYS HD2 1 59 GLN H . . 5.500 5.486 5.404 5.544 0.044 6 0 "[ . 1 . 2]" 1
1615 1 58 LYS HD3 1 59 GLN H . . 4.790 4.269 4.158 4.453 . 0 0 "[ . 1 . 2]" 1
1616 1 58 LYS HE2 1 58 LYS HG2 . . 3.650 2.267 2.094 2.337 . 0 0 "[ . 1 . 2]" 1
1617 1 58 LYS HE2 1 58 LYS HG3 . . 3.910 3.517 3.414 3.558 . 0 0 "[ . 1 . 2]" 1
1618 1 58 LYS HE3 1 58 LYS HG2 . . 3.770 3.179 2.743 3.587 . 0 0 "[ . 1 . 2]" 1
1619 1 58 LYS HG2 1 62 TRP HD1 . . 5.500 5.479 5.212 5.508 0.008 8 0 "[ . 1 . 2]" 1
1620 1 58 LYS HG2 1 62 TRP HE1 . . 5.500 5.065 4.754 5.319 . 0 0 "[ . 1 . 2]" 1
1621 1 58 LYS HG3 1 59 GLN H . . 4.690 4.194 4.132 4.329 . 0 0 "[ . 1 . 2]" 1
1622 1 59 GLN H 1 59 GLN QB . . 2.900 2.236 2.180 2.253 . 0 0 "[ . 1 . 2]" 1
1623 1 59 GLN H 1 59 GLN HG2 . . 4.600 4.481 4.248 4.595 . 0 0 "[ . 1 . 2]" 1
1624 1 59 GLN H 1 59 GLN QG . . 4.000 3.965 3.864 4.031 0.031 13 0 "[ . 1 . 2]" 1
1625 1 59 GLN H 1 59 GLN HG3 . . 4.600 4.429 4.364 4.611 0.011 13 0 "[ . 1 . 2]" 1
1626 1 59 GLN H 1 60 SER H . . 3.350 2.622 2.560 2.750 . 0 0 "[ . 1 . 2]" 1
1627 1 59 GLN H 1 60 SER QB . . 4.640 4.409 4.328 4.591 . 0 0 "[ . 1 . 2]" 1
1628 1 59 GLN H 1 62 TRP HD1 . . 4.630 4.449 4.265 4.628 . 0 0 "[ . 1 . 2]" 1
1629 1 59 GLN HA 1 59 GLN QB . . 2.780 2.320 2.259 2.351 . 0 0 "[ . 1 . 2]" 1
1630 1 59 GLN HA 1 59 GLN HG2 . . 3.910 3.637 2.509 3.868 . 0 0 "[ . 1 . 2]" 1
1631 1 59 GLN HA 1 59 GLN QG . . 3.330 2.664 2.432 2.967 . 0 0 "[ . 1 . 2]" 1
1632 1 59 GLN HA 1 59 GLN HG3 . . 3.910 2.791 2.481 3.638 . 0 0 "[ . 1 . 2]" 1
1633 1 59 GLN HA 1 62 TRP HB2 . . 3.800 3.065 2.809 3.241 . 0 0 "[ . 1 . 2]" 1
1634 1 59 GLN HA 1 62 TRP HB3 . . 4.670 4.519 4.262 4.672 0.002 15 0 "[ . 1 . 2]" 1
1635 1 59 GLN HA 1 62 TRP HD1 . . 3.810 2.959 2.728 3.170 . 0 0 "[ . 1 . 2]" 1
1636 1 59 GLN HA 1 63 ASN H . . 5.170 4.381 4.091 4.751 . 0 0 "[ . 1 . 2]" 1
1637 1 59 GLN HA 1 63 ASN HD21 . . 4.870 4.064 3.584 4.486 . 0 0 "[ . 1 . 2]" 1
1638 1 59 GLN HA 1 63 ASN QD . . 4.150 3.769 3.434 3.958 . 0 0 "[ . 1 . 2]" 1
1639 1 59 GLN HA 1 63 ASN HD22 . . 4.870 4.523 4.120 4.831 . 0 0 "[ . 1 . 2]" 1
1640 1 59 GLN QB 1 60 SER H . . 3.160 2.712 2.457 2.858 . 0 0 "[ . 1 . 2]" 1
1641 1 59 GLN QB 1 60 SER HA . . 4.580 4.255 4.154 4.424 . 0 0 "[ . 1 . 2]" 1
1642 1 59 GLN QB 1 60 SER QB . . 4.940 4.064 3.822 4.422 . 0 0 "[ . 1 . 2]" 1
1643 1 59 GLN QB 1 62 TRP HB2 . . 5.110 4.963 4.772 5.108 . 0 0 "[ . 1 . 2]" 1
1644 1 59 GLN QB 1 63 ASN QD . . 5.340 4.206 3.758 4.709 . 0 0 "[ . 1 . 2]" 1
1645 1 59 GLN QG 1 60 SER HA . . 4.910 3.616 3.406 4.311 . 0 0 "[ . 1 . 2]" 1
1646 1 59 GLN QG 1 60 SER QB . . 5.180 4.432 3.976 4.879 . 0 0 "[ . 1 . 2]" 1
1647 1 59 GLN HG2 1 60 SER H . . 4.670 4.194 3.591 4.670 0.000 8 0 "[ . 1 . 2]" 1
1648 1 59 GLN HG3 1 60 SER H . . 4.670 4.112 3.576 4.675 0.005 13 0 "[ . 1 . 2]" 1
1649 1 60 SER H 1 60 SER QB . . 2.990 2.230 2.164 2.306 . 0 0 "[ . 1 . 2]" 1
1650 1 60 SER H 1 61 TYR QB . . 4.540 4.355 4.231 4.510 . 0 0 "[ . 1 . 2]" 1
1651 1 60 SER H 1 62 TRP HB2 . . 5.500 4.822 4.646 4.990 . 0 0 "[ . 1 . 2]" 1
1652 1 60 SER HA 1 60 SER HB2 . . 3.020 2.603 2.366 3.017 . 0 0 "[ . 1 . 2]" 1
1653 1 60 SER HA 1 60 SER HB3 . . 3.020 2.937 2.565 3.021 0.001 7 0 "[ . 1 . 2]" 1
1654 1 60 SER HA 1 63 ASN H . . 3.940 3.633 3.416 3.927 . 0 0 "[ . 1 . 2]" 1
1655 1 60 SER HA 1 63 ASN HB2 . . 3.750 2.878 2.623 3.065 . 0 0 "[ . 1 . 2]" 1
1656 1 60 SER HA 1 63 ASN HB3 . . 5.000 4.491 4.208 4.730 . 0 0 "[ . 1 . 2]" 1
1657 1 60 SER HA 1 64 HIS H . . 4.260 3.863 3.452 4.202 . 0 0 "[ . 1 . 2]" 1
1658 1 60 SER QB 1 61 TYR H . . 3.350 2.082 1.897 2.295 . 0 0 "[ . 1 . 2]" 1
1659 1 60 SER QB 1 61 TYR QB . . 4.760 3.812 3.669 3.965 . 0 0 "[ . 1 . 2]" 1
1660 1 60 SER HB2 1 61 TYR H . . 4.040 3.264 2.173 3.681 . 0 0 "[ . 1 . 2]" 1
1661 1 60 SER HB3 1 61 TYR H . . 4.040 2.211 1.908 2.883 . 0 0 "[ . 1 . 2]" 1
1662 1 61 TYR H 1 61 TYR HB2 . . 3.200 2.557 2.468 2.688 . 0 0 "[ . 1 . 2]" 1
1663 1 61 TYR H 1 61 TYR HB3 . . 3.200 2.578 2.457 2.690 . 0 0 "[ . 1 . 2]" 1
1664 1 61 TYR HA 1 63 ASN H . . 5.500 4.983 4.649 5.248 . 0 0 "[ . 1 . 2]" 1
1665 1 61 TYR QB 1 62 TRP H . . 3.420 2.501 2.357 2.658 . 0 0 "[ . 1 . 2]" 1
1666 1 62 TRP H 1 62 TRP HB2 . . 3.120 2.252 2.201 2.313 . 0 0 "[ . 1 . 2]" 1
1667 1 62 TRP H 1 62 TRP HB3 . . 3.690 3.532 3.506 3.557 . 0 0 "[ . 1 . 2]" 1
1668 1 62 TRP H 1 62 TRP HD1 . . 3.700 3.585 3.437 3.657 . 0 0 "[ . 1 . 2]" 1
1669 1 62 TRP HA 1 62 TRP HD1 . . 4.710 4.472 4.432 4.509 . 0 0 "[ . 1 . 2]" 1
1670 1 62 TRP HA 1 62 TRP HE3 . . 3.080 2.073 2.008 2.134 . 0 0 "[ . 1 . 2]" 1
1671 1 62 TRP HA 1 62 TRP HZ3 . . 4.470 4.272 4.232 4.329 . 0 0 "[ . 1 . 2]" 1
1672 1 62 TRP HB2 1 62 TRP HD1 . . 3.400 2.554 2.548 2.557 . 0 0 "[ . 1 . 2]" 1
1673 1 62 TRP HB2 1 62 TRP HE1 . . 4.860 4.752 4.751 4.754 . 0 0 "[ . 1 . 2]" 1
1674 1 62 TRP HB2 1 63 ASN QD . . 4.750 3.570 2.856 4.316 . 0 0 "[ . 1 . 2]" 1
1675 1 62 TRP HB3 1 62 TRP HD1 . . 3.710 3.518 3.501 3.550 . 0 0 "[ . 1 . 2]" 1
1676 1 62 TRP HB3 1 62 TRP HE3 . . 3.890 3.104 3.054 3.131 . 0 0 "[ . 1 . 2]" 1
1677 1 62 TRP HB3 1 63 ASN H . . 4.170 2.890 2.679 3.146 . 0 0 "[ . 1 . 2]" 1
1678 1 63 ASN H 1 63 ASN HB2 . . 3.240 2.341 2.214 2.600 . 0 0 "[ . 1 . 2]" 1
1679 1 63 ASN H 1 63 ASN HB3 . . 3.600 3.564 3.514 3.599 . 0 0 "[ . 1 . 2]" 1
1680 1 63 ASN H 1 63 ASN QD . . 4.330 2.396 1.812 3.116 . 0 0 "[ . 1 . 2]" 1
1681 1 63 ASN HB2 1 64 HIS H . . 4.360 2.453 2.237 2.661 . 0 0 "[ . 1 . 2]" 1
1682 1 63 ASN HB3 1 64 HIS H . . 4.400 3.069 2.748 3.640 . 0 0 "[ . 1 . 2]" 1
1683 1 63 ASN HB3 1 64 HIS QB . . 4.690 4.231 3.309 4.673 . 0 0 "[ . 1 . 2]" 1
1684 1 64 HIS H 1 64 HIS HB2 . . 3.760 2.667 2.183 3.669 . 0 0 "[ . 1 . 2]" 1
1685 1 64 HIS H 1 64 HIS HB3 . . 3.760 3.172 2.264 3.708 . 0 0 "[ . 1 . 2]" 1
1686 1 64 HIS H 1 64 HIS HD2 . . 4.640 3.764 1.927 4.632 . 0 0 "[ . 1 . 2]" 1
1687 1 64 HIS HA 1 64 HIS HD2 . . 4.080 3.313 2.321 4.067 . 0 0 "[ . 1 . 2]" 1
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