NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
443224 |
2kec   |
16142 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kec
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 1144
_Distance_constraint_stats_list.Viol_count 1891
_Distance_constraint_stats_list.Viol_total 2217.357
_Distance_constraint_stats_list.Viol_max 0.360
_Distance_constraint_stats_list.Viol_rms 0.0217
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0048
_Distance_constraint_stats_list.Viol_average_violations_only 0.0586
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 LYS 1.502 0.260 4 0 "[ . 1 . 2]"
1 4 PRO 0.392 0.163 20 0 "[ . 1 . 2]"
1 5 VAL 0.295 0.112 8 0 "[ . 1 . 2]"
1 6 SER 0.597 0.147 11 0 "[ . 1 . 2]"
1 7 LEU 0.592 0.220 8 0 "[ . 1 . 2]"
1 8 SER 0.552 0.237 8 0 "[ . 1 . 2]"
1 9 TYR 0.490 0.237 8 0 "[ . 1 . 2]"
1 10 ARG 2.239 0.182 17 0 "[ . 1 . 2]"
1 11 CYS 1.911 0.155 10 0 "[ . 1 . 2]"
1 12 PRO 0.931 0.065 16 0 "[ . 1 . 2]"
1 13 CYS 1.651 0.122 6 0 "[ . 1 . 2]"
1 14 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 PHE 0.017 0.017 20 0 "[ . 1 . 2]"
1 16 PHE 6.041 0.189 17 0 "[ . 1 . 2]"
1 17 GLU 4.899 0.187 5 0 "[ . 1 . 2]"
1 18 SER 0.790 0.187 5 0 "[ . 1 . 2]"
1 19 HIS 0.689 0.111 11 0 "[ . 1 . 2]"
1 20 VAL 4.529 0.147 5 0 "[ . 1 . 2]"
1 21 ALA 1.891 0.255 13 0 "[ . 1 . 2]"
1 22 ARG 1.732 0.141 18 0 "[ . 1 . 2]"
1 23 ALA 0.473 0.058 17 0 "[ . 1 . 2]"
1 24 ASN 7.924 0.255 19 0 "[ . 1 . 2]"
1 25 VAL 2.950 0.183 3 0 "[ . 1 . 2]"
1 26 LYS 2.234 0.140 16 0 "[ . 1 . 2]"
1 27 HIS 7.813 0.211 3 0 "[ . 1 . 2]"
1 28 LEU 0.108 0.075 17 0 "[ . 1 . 2]"
1 29 LYS 2.803 0.145 15 0 "[ . 1 . 2]"
1 30 ILE 5.073 0.168 16 0 "[ . 1 . 2]"
1 31 LEU 1.872 0.235 16 0 "[ . 1 . 2]"
1 32 ASN 1.189 0.150 16 0 "[ . 1 . 2]"
1 33 THR 5.037 0.203 10 0 "[ . 1 . 2]"
1 34 PRO 1.884 0.115 2 0 "[ . 1 . 2]"
1 35 ASN 2.128 0.115 2 0 "[ . 1 . 2]"
1 36 CYS 3.099 0.190 8 0 "[ . 1 . 2]"
1 37 ALA 2.886 0.137 17 0 "[ . 1 . 2]"
1 38 LEU 1.514 0.233 17 0 "[ . 1 . 2]"
1 39 GLN 7.018 0.235 16 0 "[ . 1 . 2]"
1 40 ILE 6.207 0.168 16 0 "[ . 1 . 2]"
1 41 VAL 3.089 0.116 19 0 "[ . 1 . 2]"
1 42 ALA 2.078 0.093 10 0 "[ . 1 . 2]"
1 43 ARG 10.372 0.251 3 0 "[ . 1 . 2]"
1 44 LEU 5.538 0.261 19 0 "[ . 1 . 2]"
1 45 LYS 3.090 0.147 11 0 "[ . 1 . 2]"
1 46 ASN 0.676 0.147 11 0 "[ . 1 . 2]"
1 47 ASN 1.089 0.260 19 0 "[ . 1 . 2]"
1 48 ASN 3.018 0.251 3 0 "[ . 1 . 2]"
1 49 ARG 9.135 0.305 9 0 "[ . 1 . 2]"
1 50 GLN 9.730 0.305 9 0 "[ . 1 . 2]"
1 51 VAL 0.768 0.072 19 0 "[ . 1 . 2]"
1 52 CYS 2.432 0.189 17 0 "[ . 1 . 2]"
1 53 ILE 3.579 0.124 17 0 "[ . 1 . 2]"
1 54 ASP 4.417 0.158 4 0 "[ . 1 . 2]"
1 55 PRO 0.432 0.051 3 0 "[ . 1 . 2]"
1 56 LYS 1.621 0.189 7 0 "[ . 1 . 2]"
1 57 LEU 8.971 0.189 7 0 "[ . 1 . 2]"
1 58 LYS 0.785 0.092 7 0 "[ . 1 . 2]"
1 59 TRP 3.996 0.141 18 0 "[ . 1 . 2]"
1 60 ILE 3.622 0.107 2 0 "[ . 1 . 2]"
1 61 GLN 1.456 0.104 6 0 "[ . 1 . 2]"
1 62 GLU 0.711 0.159 17 0 "[ . 1 . 2]"
1 63 TYR 1.999 0.229 12 0 "[ . 1 . 2]"
1 64 LEU 4.888 0.229 12 0 "[ . 1 . 2]"
1 65 GLU 2.592 0.137 12 0 "[ . 1 . 2]"
1 66 LYS 4.707 0.360 11 0 "[ . 1 . 2]"
1 67 ALA 2.817 0.360 11 0 "[ . 1 . 2]"
1 68 LEU 1.125 0.107 19 0 "[ . 1 . 2]"
1 69 ASN 0.647 0.097 11 0 "[ . 1 . 2]"
1 70 LYS 1.221 0.118 17 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 LYS HA 1 3 LYS QE . . 5.500 4.116 2.016 5.383 . 0 0 "[ . 1 . 2]" 1
2 1 3 LYS HA 1 4 PRO HD2 . . 4.020 2.694 2.109 4.073 0.053 18 0 "[ . 1 . 2]" 1
3 1 3 LYS HA 1 4 PRO QD . . 3.380 2.137 1.868 3.543 0.163 20 0 "[ . 1 . 2]" 1
4 1 3 LYS HA 1 4 PRO HD3 . . 4.020 2.342 1.898 4.048 0.028 20 0 "[ . 1 . 2]" 1
5 1 3 LYS QB 1 3 LYS QD . . 3.310 2.308 1.990 2.855 . 0 0 "[ . 1 . 2]" 1
6 1 3 LYS QB 1 3 LYS QE . . 3.230 2.482 1.928 3.490 0.260 4 0 "[ . 1 . 2]" 1
7 1 3 LYS QB 1 4 PRO QD . . 4.380 2.740 1.828 3.715 . 0 0 "[ . 1 . 2]" 1
8 1 3 LYS QG 1 4 PRO QD . . 5.350 3.471 2.456 4.135 . 0 0 "[ . 1 . 2]" 1
9 1 5 VAL HA 1 6 SER H . . 3.320 2.439 2.006 3.432 0.112 8 0 "[ . 1 . 2]" 1
10 1 6 SER H 1 6 SER QB . . 3.820 2.738 2.227 3.430 . 0 0 "[ . 1 . 2]" 1
11 1 6 SER HA 1 7 LEU H . . 3.180 2.433 2.094 3.327 0.147 11 0 "[ . 1 . 2]" 1
12 1 7 LEU H 1 7 LEU QB . . 3.400 2.614 2.239 3.418 0.018 17 0 "[ . 1 . 2]" 1
13 1 7 LEU HA 1 7 LEU QD . . 3.790 2.405 2.029 3.402 . 0 0 "[ . 1 . 2]" 1
14 1 7 LEU HA 1 8 SER H . . 3.110 2.360 2.053 3.330 0.220 8 0 "[ . 1 . 2]" 1
15 1 7 LEU QB 1 7 LEU HG . . 2.520 2.347 2.145 2.405 . 0 0 "[ . 1 . 2]" 1
16 1 8 SER HA 1 9 TYR H . . 3.020 2.417 2.123 3.257 0.237 8 0 "[ . 1 . 2]" 1
17 1 8 SER QB 1 9 TYR H . . 4.570 3.342 1.974 4.015 . 0 0 "[ . 1 . 2]" 1
18 1 9 TYR H 1 9 TYR HB2 . . 4.040 2.678 2.462 3.617 . 0 0 "[ . 1 . 2]" 1
19 1 9 TYR H 1 9 TYR QB . . 3.380 2.615 2.425 3.383 0.003 17 0 "[ . 1 . 2]" 1
20 1 9 TYR H 1 9 TYR HB3 . . 4.040 3.750 3.625 4.072 0.032 10 0 "[ . 1 . 2]" 1
21 1 9 TYR H 1 9 TYR QD . . 4.120 2.991 2.525 3.680 . 0 0 "[ . 1 . 2]" 1
22 1 9 TYR HA 1 9 TYR QD . . 4.190 2.746 2.390 3.058 . 0 0 "[ . 1 . 2]" 1
23 1 9 TYR HA 1 9 TYR QE . . 5.160 4.589 4.321 4.833 . 0 0 "[ . 1 . 2]" 1
24 1 9 TYR HA 1 10 ARG H . . 3.350 2.261 1.975 3.456 0.106 6 0 "[ . 1 . 2]" 1
25 1 9 TYR QB 1 10 ARG H . . 3.850 3.214 1.903 3.806 . 0 0 "[ . 1 . 2]" 1
26 1 9 TYR QD 1 10 ARG H . . 4.670 4.186 3.452 4.700 0.030 2 0 "[ . 1 . 2]" 1
27 1 10 ARG H 1 10 ARG HB2 . . 3.840 3.599 2.417 3.947 0.107 19 0 "[ . 1 . 2]" 1
28 1 10 ARG H 1 10 ARG QB . . 3.340 2.724 2.058 3.276 . 0 0 "[ . 1 . 2]" 1
29 1 10 ARG H 1 10 ARG HB3 . . 3.840 2.831 2.229 3.499 . 0 0 "[ . 1 . 2]" 1
30 1 10 ARG H 1 10 ARG QD . . 4.690 3.817 2.006 4.471 . 0 0 "[ . 1 . 2]" 1
31 1 10 ARG H 1 10 ARG QG . . 3.590 2.411 1.943 3.772 0.182 17 0 "[ . 1 . 2]" 1
32 1 10 ARG HA 1 10 ARG QD . . 4.990 4.194 2.161 4.579 . 0 0 "[ . 1 . 2]" 1
33 1 10 ARG HA 1 10 ARG QG . . 3.820 3.301 2.509 3.532 . 0 0 "[ . 1 . 2]" 1
34 1 10 ARG HA 1 11 CYS H . . 3.190 2.878 1.984 3.345 0.155 10 0 "[ . 1 . 2]" 1
35 1 10 ARG HB2 1 11 CYS H . . 4.150 3.538 1.912 4.217 0.067 2 0 "[ . 1 . 2]" 1
36 1 10 ARG HB3 1 11 CYS H . . 4.150 3.914 2.896 4.206 0.056 4 0 "[ . 1 . 2]" 1
37 1 10 ARG QG 1 11 CYS H . . 4.040 3.268 2.335 4.130 0.090 7 0 "[ . 1 . 2]" 1
38 1 10 ARG QG 1 12 PRO QD . . 5.080 4.775 3.717 5.143 0.063 17 0 "[ . 1 . 2]" 1
39 1 11 CYS CB 1 36 CYS SG . . 3.100 3.030 2.984 3.070 . 0 0 "[ . 1 . 2]" 1
40 1 11 CYS H 1 11 CYS HB2 . . 3.550 2.633 2.490 2.789 . 0 0 "[ . 1 . 2]" 1
41 1 11 CYS H 1 11 CYS HB3 . . 3.830 3.730 3.655 3.844 0.014 10 0 "[ . 1 . 2]" 1
42 1 11 CYS HA 1 12 PRO QD . . 3.200 1.948 1.855 2.042 . 0 0 "[ . 1 . 2]" 1
43 1 11 CYS HA 1 12 PRO QG . . 4.510 3.844 3.724 3.950 . 0 0 "[ . 1 . 2]" 1
44 1 11 CYS HA 1 33 THR HB . . 5.500 5.049 4.465 5.533 0.033 7 0 "[ . 1 . 2]" 1
45 1 11 CYS HA 1 33 THR MG . . 4.400 3.040 2.584 3.636 . 0 0 "[ . 1 . 2]" 1
46 1 11 CYS HB2 1 12 PRO QD . . 4.360 3.845 3.647 4.094 . 0 0 "[ . 1 . 2]" 1
47 1 11 CYS HB2 1 39 GLN HE22 . . 5.500 5.439 4.780 5.570 0.070 19 0 "[ . 1 . 2]" 1
48 1 11 CYS HB3 1 12 PRO QD . . 4.330 2.625 2.341 3.005 . 0 0 "[ . 1 . 2]" 1
49 1 11 CYS HB3 1 13 CYS H . . 4.550 2.859 2.456 3.357 . 0 0 "[ . 1 . 2]" 1
50 1 11 CYS HB3 1 33 THR MG . . 5.500 4.007 3.481 4.570 . 0 0 "[ . 1 . 2]" 1
51 1 11 CYS HB3 1 39 GLN HE21 . . 5.500 4.701 3.204 5.146 . 0 0 "[ . 1 . 2]" 1
52 1 11 CYS HB3 1 39 GLN HE22 . . 5.500 3.758 3.032 3.924 . 0 0 "[ . 1 . 2]" 1
53 1 11 CYS SG 1 36 CYS CB . . 3.100 3.021 2.988 3.053 . 0 0 "[ . 1 . 2]" 1
54 1 11 CYS SG 1 36 CYS SG . . 2.100 2.026 2.015 2.034 . 0 0 "[ . 1 . 2]" 1
55 1 12 PRO HB2 1 31 LEU QD . . 5.500 2.758 2.512 3.172 . 0 0 "[ . 1 . 2]" 1
56 1 12 PRO HB2 1 31 LEU HG . . 4.660 4.602 2.993 4.725 0.065 16 0 "[ . 1 . 2]" 1
57 1 12 PRO HB3 1 13 CYS H . . 4.120 4.038 3.819 4.172 0.052 20 0 "[ . 1 . 2]" 1
58 1 12 PRO HB3 1 31 LEU QD . . 4.880 2.737 2.410 3.334 . 0 0 "[ . 1 . 2]" 1
59 1 12 PRO QD 1 13 CYS H . . 4.660 2.842 2.496 3.222 . 0 0 "[ . 1 . 2]" 1
60 1 12 PRO QD 1 31 LEU QD . . 4.860 3.555 3.143 3.788 . 0 0 "[ . 1 . 2]" 1
61 1 12 PRO QD 1 39 GLN HE21 . . 4.870 3.733 2.644 4.511 . 0 0 "[ . 1 . 2]" 1
62 1 12 PRO QD 1 39 GLN HE22 . . 4.830 2.808 1.840 3.770 . 0 0 "[ . 1 . 2]" 1
63 1 12 PRO QG 1 13 CYS H . . 3.990 3.913 3.661 4.006 0.016 20 0 "[ . 1 . 2]" 1
64 1 12 PRO QG 1 31 LEU QB . . 4.770 3.787 3.168 4.159 . 0 0 "[ . 1 . 2]" 1
65 1 12 PRO QG 1 31 LEU QD . . 4.410 2.021 1.888 2.192 . 0 0 "[ . 1 . 2]" 1
66 1 12 PRO QG 1 33 THR MG . . 4.900 3.212 2.742 3.600 . 0 0 "[ . 1 . 2]" 1
67 1 12 PRO QG 1 39 GLN HE22 . . 5.500 3.808 2.306 5.127 . 0 0 "[ . 1 . 2]" 1
68 1 13 CYS CB 1 52 CYS SG . . 3.100 3.013 2.967 3.070 . 0 0 "[ . 1 . 2]" 1
69 1 13 CYS H 1 13 CYS HB2 . . 4.030 2.786 2.528 3.331 . 0 0 "[ . 1 . 2]" 1
70 1 13 CYS H 1 13 CYS QB . . 3.420 2.601 2.487 2.847 . 0 0 "[ . 1 . 2]" 1
71 1 13 CYS H 1 13 CYS HB3 . . 4.030 3.488 2.693 3.816 . 0 0 "[ . 1 . 2]" 1
72 1 13 CYS H 1 39 GLN HE21 . . 5.320 4.794 3.658 5.334 0.014 13 0 "[ . 1 . 2]" 1
73 1 13 CYS H 1 39 GLN HE22 . . 5.500 4.506 3.687 5.164 . 0 0 "[ . 1 . 2]" 1
74 1 13 CYS QB 1 16 PHE QD . . 3.540 3.514 2.640 3.662 0.122 6 0 "[ . 1 . 2]" 1
75 1 13 CYS QB 1 16 PHE QE . . 4.050 2.507 2.123 2.853 . 0 0 "[ . 1 . 2]" 1
76 1 13 CYS QB 1 39 GLN HE21 . . 5.340 4.709 3.746 5.370 0.030 17 0 "[ . 1 . 2]" 1
77 1 13 CYS QB 1 39 GLN HE22 . . 5.180 5.106 4.065 5.294 0.114 18 0 "[ . 1 . 2]" 1
78 1 13 CYS HB2 1 16 PHE QE . . 4.750 3.053 2.437 4.287 . 0 0 "[ . 1 . 2]" 1
79 1 13 CYS HB3 1 16 PHE QE . . 4.750 3.036 2.136 3.750 . 0 0 "[ . 1 . 2]" 1
80 1 13 CYS SG 1 52 CYS CB . . 3.100 3.044 2.990 3.128 0.028 17 0 "[ . 1 . 2]" 1
81 1 13 CYS SG 1 52 CYS SG . . 2.100 2.024 2.014 2.041 . 0 0 "[ . 1 . 2]" 1
82 1 14 ARG HA 1 14 ARG QD . . 4.470 3.855 1.975 4.316 . 0 0 "[ . 1 . 2]" 1
83 1 14 ARG QB 1 15 PHE H . . 4.080 2.726 1.940 3.902 . 0 0 "[ . 1 . 2]" 1
84 1 14 ARG HB2 1 14 ARG QD . . 3.820 2.525 2.316 2.976 . 0 0 "[ . 1 . 2]" 1
85 1 14 ARG HB2 1 15 PHE H . . 4.640 3.122 1.960 4.284 . 0 0 "[ . 1 . 2]" 1
86 1 14 ARG HB3 1 14 ARG QD . . 3.820 2.691 2.278 3.541 . 0 0 "[ . 1 . 2]" 1
87 1 14 ARG HB3 1 15 PHE H . . 4.640 3.497 2.406 4.493 . 0 0 "[ . 1 . 2]" 1
88 1 15 PHE H 1 15 PHE HB2 . . 4.030 3.304 2.432 3.901 . 0 0 "[ . 1 . 2]" 1
89 1 15 PHE H 1 15 PHE QB . . 3.300 2.786 2.396 3.141 . 0 0 "[ . 1 . 2]" 1
90 1 15 PHE H 1 15 PHE HB3 . . 4.030 3.331 2.794 3.825 . 0 0 "[ . 1 . 2]" 1
91 1 15 PHE H 1 15 PHE QD . . 4.330 2.676 1.964 3.241 . 0 0 "[ . 1 . 2]" 1
92 1 15 PHE H 1 15 PHE QE . . 5.100 4.414 3.904 5.117 0.017 20 0 "[ . 1 . 2]" 1
93 1 15 PHE HA 1 15 PHE QD . . 4.250 3.399 2.745 3.784 . 0 0 "[ . 1 . 2]" 1
94 1 15 PHE HA 1 16 PHE H . . 3.320 2.266 2.142 2.569 . 0 0 "[ . 1 . 2]" 1
95 1 15 PHE HB2 1 16 PHE H . . 4.340 3.296 2.671 4.163 . 0 0 "[ . 1 . 2]" 1
96 1 15 PHE HB3 1 16 PHE H . . 4.340 3.548 2.138 4.272 . 0 0 "[ . 1 . 2]" 1
97 1 15 PHE QD 1 16 PHE H . . 5.500 3.897 3.613 4.393 . 0 0 "[ . 1 . 2]" 1
98 1 16 PHE H 1 16 PHE HB3 . . 3.780 3.767 3.673 3.813 0.033 6 0 "[ . 1 . 2]" 1
99 1 16 PHE H 1 16 PHE QD . . 4.520 3.234 2.805 3.542 . 0 0 "[ . 1 . 2]" 1
100 1 16 PHE H 1 17 GLU H . . 4.730 4.348 4.165 4.512 . 0 0 "[ . 1 . 2]" 1
101 1 16 PHE HA 1 16 PHE QD . . 4.480 2.687 2.361 2.969 . 0 0 "[ . 1 . 2]" 1
102 1 16 PHE HA 1 17 GLU H . . 3.400 2.214 2.070 2.328 . 0 0 "[ . 1 . 2]" 1
103 1 16 PHE HA 1 52 CYS HB2 . . 4.870 2.173 2.004 2.475 . 0 0 "[ . 1 . 2]" 1
104 1 16 PHE HA 1 52 CYS HB3 . . 5.050 3.414 3.251 3.627 . 0 0 "[ . 1 . 2]" 1
105 1 16 PHE HA 1 53 ILE HG12 . . 5.500 5.574 5.542 5.620 0.120 15 0 "[ . 1 . 2]" 1
106 1 16 PHE HB2 1 17 GLU H . . 4.470 3.837 3.544 4.025 . 0 0 "[ . 1 . 2]" 1
107 1 16 PHE HB2 1 52 CYS HB2 . . 4.660 4.780 4.718 4.849 0.189 17 0 "[ . 1 . 2]" 1
108 1 16 PHE HB2 1 54 ASP H . . 4.950 3.831 3.283 4.246 . 0 0 "[ . 1 . 2]" 1
109 1 16 PHE HB2 1 54 ASP HA . . 4.430 3.332 2.946 3.690 . 0 0 "[ . 1 . 2]" 1
110 1 16 PHE HB2 1 54 ASP HB2 . . 4.850 2.421 2.093 2.842 . 0 0 "[ . 1 . 2]" 1
111 1 16 PHE HB3 1 17 GLU H . . 3.770 2.958 2.795 3.262 . 0 0 "[ . 1 . 2]" 1
112 1 16 PHE HB3 1 52 CYS HB2 . . 4.790 3.915 3.599 4.276 . 0 0 "[ . 1 . 2]" 1
113 1 16 PHE HB3 1 54 ASP H . . 4.170 2.684 2.510 2.967 . 0 0 "[ . 1 . 2]" 1
114 1 16 PHE HB3 1 54 ASP HA . . 4.550 2.730 2.474 3.317 . 0 0 "[ . 1 . 2]" 1
115 1 16 PHE HB3 1 54 ASP HB2 . . 4.720 2.599 2.110 3.546 . 0 0 "[ . 1 . 2]" 1
116 1 16 PHE QD 1 17 GLU H . . 4.750 4.162 3.898 4.545 . 0 0 "[ . 1 . 2]" 1
117 1 16 PHE QD 1 41 VAL QG . . 5.500 5.107 4.793 5.467 . 0 0 "[ . 1 . 2]" 1
118 1 16 PHE QD 1 52 CYS HB2 . . 4.180 2.445 1.974 2.905 . 0 0 "[ . 1 . 2]" 1
119 1 16 PHE QD 1 52 CYS HB3 . . 4.400 2.090 1.820 2.334 . 0 0 "[ . 1 . 2]" 1
120 1 16 PHE QD 1 54 ASP H . . 5.000 4.393 4.001 4.948 . 0 0 "[ . 1 . 2]" 1
121 1 16 PHE QD 1 54 ASP HA . . 4.520 3.368 2.722 3.610 . 0 0 "[ . 1 . 2]" 1
122 1 16 PHE QD 1 54 ASP HB2 . . 4.880 3.655 2.543 3.952 . 0 0 "[ . 1 . 2]" 1
123 1 16 PHE QD 1 54 ASP HB3 . . 5.500 5.076 4.143 5.281 . 0 0 "[ . 1 . 2]" 1
124 1 16 PHE QD 1 55 PRO HD2 . . 5.240 4.167 3.540 4.523 . 0 0 "[ . 1 . 2]" 1
125 1 16 PHE QD 1 55 PRO HD3 . . 5.500 4.243 3.856 4.769 . 0 0 "[ . 1 . 2]" 1
126 1 16 PHE QD 1 55 PRO QG . . 5.350 5.250 4.861 5.401 0.051 3 0 "[ . 1 . 2]" 1
127 1 16 PHE QE 1 52 CYS HB2 . . 4.800 4.014 3.692 4.444 . 0 0 "[ . 1 . 2]" 1
128 1 16 PHE QE 1 52 CYS HB3 . . 4.570 3.081 2.644 3.617 . 0 0 "[ . 1 . 2]" 1
129 1 16 PHE QE 1 54 ASP HA . . 5.120 4.507 3.789 4.830 . 0 0 "[ . 1 . 2]" 1
130 1 16 PHE QE 1 54 ASP HB2 . . 5.500 5.496 4.670 5.609 0.109 5 0 "[ . 1 . 2]" 1
131 1 16 PHE QE 1 55 PRO HD2 . . 5.500 4.573 3.488 4.894 . 0 0 "[ . 1 . 2]" 1
132 1 16 PHE QE 1 55 PRO HD3 . . 5.500 4.341 3.814 5.018 . 0 0 "[ . 1 . 2]" 1
133 1 17 GLU H 1 17 GLU HB2 . . 3.730 2.355 2.028 2.542 . 0 0 "[ . 1 . 2]" 1
134 1 17 GLU H 1 17 GLU HB3 . . 3.730 3.274 2.209 3.706 . 0 0 "[ . 1 . 2]" 1
135 1 17 GLU H 1 17 GLU HG2 . . 4.170 3.834 2.472 4.308 0.138 9 0 "[ . 1 . 2]" 1
136 1 17 GLU H 1 17 GLU QG . . 3.660 3.204 2.440 3.771 0.111 7 0 "[ . 1 . 2]" 1
137 1 17 GLU H 1 17 GLU HG3 . . 4.170 3.613 2.622 4.299 0.129 15 0 "[ . 1 . 2]" 1
138 1 17 GLU H 1 20 VAL QG . . 4.590 3.701 3.246 4.032 . 0 0 "[ . 1 . 2]" 1
139 1 17 GLU H 1 52 CYS HB2 . . 4.710 3.757 3.218 4.061 . 0 0 "[ . 1 . 2]" 1
140 1 17 GLU H 1 52 CYS HB3 . . 4.990 4.760 4.409 4.997 0.007 19 0 "[ . 1 . 2]" 1
141 1 17 GLU H 1 53 ILE H . . 4.320 4.377 4.325 4.444 0.124 17 0 "[ . 1 . 2]" 1
142 1 17 GLU H 1 53 ILE HA . . 4.720 2.548 2.344 2.774 . 0 0 "[ . 1 . 2]" 1
143 1 17 GLU H 1 53 ILE MD . . 5.500 5.434 5.314 5.536 0.036 7 0 "[ . 1 . 2]" 1
144 1 17 GLU H 1 53 ILE MG . . 4.590 4.344 4.123 4.579 . 0 0 "[ . 1 . 2]" 1
145 1 17 GLU H 1 54 ASP H . . 4.610 3.646 3.338 4.137 . 0 0 "[ . 1 . 2]" 1
146 1 17 GLU HA 1 18 SER H . . 2.910 2.117 2.012 2.318 . 0 0 "[ . 1 . 2]" 1
147 1 17 GLU HA 1 20 VAL QG . . 5.140 4.036 3.795 4.309 . 0 0 "[ . 1 . 2]" 1
148 1 17 GLU HA 1 51 VAL MG2 . . 5.500 5.383 4.674 5.572 0.072 19 0 "[ . 1 . 2]" 1
149 1 17 GLU QB 1 18 SER H . . 4.020 3.139 2.641 3.735 . 0 0 "[ . 1 . 2]" 1
150 1 17 GLU QB 1 20 VAL QG . . 3.550 2.004 1.800 2.624 . 0 0 "[ . 1 . 2]" 1
151 1 17 GLU QB 1 42 ALA MB . . 5.340 5.205 4.742 5.395 0.055 3 0 "[ . 1 . 2]" 1
152 1 17 GLU QB 1 53 ILE HG13 . . 5.340 4.656 4.177 5.344 0.004 19 0 "[ . 1 . 2]" 1
153 1 17 GLU QB 1 53 ILE MG . . 5.000 4.009 3.670 4.470 . 0 0 "[ . 1 . 2]" 1
154 1 17 GLU HB2 1 18 SER H . . 4.770 4.163 3.818 4.483 . 0 0 "[ . 1 . 2]" 1
155 1 17 GLU HB2 1 20 VAL QG . . 4.170 2.539 1.853 3.889 . 0 0 "[ . 1 . 2]" 1
156 1 17 GLU HB2 1 51 VAL MG2 . . 4.910 3.217 2.461 3.624 . 0 0 "[ . 1 . 2]" 1
157 1 17 GLU HB3 1 18 SER H . . 4.770 3.277 2.693 4.173 . 0 0 "[ . 1 . 2]" 1
158 1 17 GLU HB3 1 20 VAL QG . . 4.170 2.237 1.827 2.668 . 0 0 "[ . 1 . 2]" 1
159 1 17 GLU HB3 1 51 VAL MG2 . . 4.910 3.941 2.705 4.627 . 0 0 "[ . 1 . 2]" 1
160 1 17 GLU QG 1 18 SER H . . 4.010 3.573 2.499 4.197 0.187 5 0 "[ . 1 . 2]" 1
161 1 17 GLU QG 1 51 VAL MG2 . . 5.310 3.098 2.140 4.347 . 0 0 "[ . 1 . 2]" 1
162 1 17 GLU HG2 1 18 SER H . . 4.850 4.121 2.647 4.952 0.102 1 0 "[ . 1 . 2]" 1
163 1 17 GLU HG2 1 20 VAL QG . . 3.940 3.633 2.113 4.074 0.134 18 0 "[ . 1 . 2]" 1
164 1 17 GLU HG3 1 18 SER H . . 4.850 4.288 2.635 4.921 0.071 19 0 "[ . 1 . 2]" 1
165 1 17 GLU HG3 1 20 VAL QG . . 3.940 3.440 2.138 3.953 0.013 10 0 "[ . 1 . 2]" 1
166 1 18 SER H 1 18 SER HB2 . . 4.100 2.959 2.448 3.772 . 0 0 "[ . 1 . 2]" 1
167 1 18 SER H 1 18 SER QB . . 3.370 2.620 2.328 3.040 . 0 0 "[ . 1 . 2]" 1
168 1 18 SER H 1 18 SER HB3 . . 4.100 3.338 2.490 3.823 . 0 0 "[ . 1 . 2]" 1
169 1 18 SER HA 1 54 ASP HB2 . . 4.680 3.928 3.331 4.572 . 0 0 "[ . 1 . 2]" 1
170 1 18 SER HA 1 54 ASP HB3 . . 4.690 3.173 2.547 3.807 . 0 0 "[ . 1 . 2]" 1
171 1 18 SER HA 1 57 LEU MD1 . . 4.470 2.818 1.944 3.766 . 0 0 "[ . 1 . 2]" 1
172 1 18 SER HA 1 57 LEU MD2 . . 4.540 2.352 2.025 3.106 . 0 0 "[ . 1 . 2]" 1
173 1 18 SER QB 1 19 HIS H . . 4.290 3.633 3.118 3.965 . 0 0 "[ . 1 . 2]" 1
174 1 18 SER QB 1 54 ASP HB2 . . 5.340 4.323 3.339 5.300 . 0 0 "[ . 1 . 2]" 1
175 1 18 SER QB 1 54 ASP HB3 . . 5.340 4.033 2.566 5.311 . 0 0 "[ . 1 . 2]" 1
176 1 18 SER QB 1 57 LEU MD1 . . 5.340 4.377 3.431 5.106 . 0 0 "[ . 1 . 2]" 1
177 1 18 SER QB 1 57 LEU MD2 . . 4.310 3.136 2.284 3.936 . 0 0 "[ . 1 . 2]" 1
178 1 18 SER HB2 1 19 HIS H . . 5.070 3.950 3.384 4.443 . 0 0 "[ . 1 . 2]" 1
179 1 18 SER HB2 1 57 LEU MD2 . . 4.950 3.841 2.350 4.611 . 0 0 "[ . 1 . 2]" 1
180 1 18 SER HB3 1 19 HIS H . . 5.070 4.329 3.311 4.609 . 0 0 "[ . 1 . 2]" 1
181 1 18 SER HB3 1 57 LEU MD2 . . 4.950 3.552 2.444 4.919 . 0 0 "[ . 1 . 2]" 1
182 1 19 HIS H 1 20 VAL H . . 3.930 3.078 2.101 3.924 . 0 0 "[ . 1 . 2]" 1
183 1 19 HIS HA 1 19 HIS HD2 . . 4.810 3.635 2.716 4.507 . 0 0 "[ . 1 . 2]" 1
184 1 19 HIS HA 1 19 HIS HE1 . . 5.500 5.372 4.991 5.611 0.111 11 0 "[ . 1 . 2]" 1
185 1 19 HIS HA 1 20 VAL H . . 3.420 2.536 2.115 3.097 . 0 0 "[ . 1 . 2]" 1
186 1 19 HIS QB 1 20 VAL H . . 4.450 3.811 3.574 4.008 . 0 0 "[ . 1 . 2]" 1
187 1 20 VAL H 1 20 VAL HB . . 3.840 2.682 2.545 2.838 . 0 0 "[ . 1 . 2]" 1
188 1 20 VAL H 1 20 VAL QG . . 3.450 2.398 1.921 2.839 . 0 0 "[ . 1 . 2]" 1
189 1 20 VAL H 1 21 ALA H . . 4.920 4.486 4.302 4.661 . 0 0 "[ . 1 . 2]" 1
190 1 20 VAL H 1 53 ILE MG . . 4.910 4.607 4.209 4.923 0.013 18 0 "[ . 1 . 2]" 1
191 1 20 VAL HA 1 21 ALA H . . 3.060 2.294 2.146 2.480 . 0 0 "[ . 1 . 2]" 1
192 1 20 VAL HA 1 53 ILE MD . . 5.500 5.045 4.818 5.249 . 0 0 "[ . 1 . 2]" 1
193 1 20 VAL HA 1 57 LEU MD1 . . 5.390 4.492 4.324 4.791 . 0 0 "[ . 1 . 2]" 1
194 1 20 VAL HA 1 57 LEU MD2 . . 5.500 5.573 5.513 5.647 0.147 5 0 "[ . 1 . 2]" 1
195 1 20 VAL HB 1 21 ALA H . . 4.790 3.873 3.645 4.003 . 0 0 "[ . 1 . 2]" 1
196 1 20 VAL HB 1 53 ILE MD . . 4.510 3.046 2.922 3.271 . 0 0 "[ . 1 . 2]" 1
197 1 20 VAL HB 1 53 ILE HG12 . . 5.110 3.959 3.599 4.298 . 0 0 "[ . 1 . 2]" 1
198 1 20 VAL HB 1 53 ILE MG . . 4.370 3.245 2.832 3.614 . 0 0 "[ . 1 . 2]" 1
199 1 20 VAL HB 1 57 LEU MD1 . . 4.470 2.532 2.272 2.806 . 0 0 "[ . 1 . 2]" 1
200 1 20 VAL HB 1 59 TRP HD1 . . 4.940 5.000 4.946 5.070 0.130 19 0 "[ . 1 . 2]" 1
201 1 20 VAL HB 1 59 TRP HE1 . . 5.350 2.507 2.424 2.659 . 0 0 "[ . 1 . 2]" 1
202 1 20 VAL HB 1 59 TRP HH2 . . 5.500 4.740 4.351 5.226 . 0 0 "[ . 1 . 2]" 1
203 1 20 VAL HB 1 59 TRP HZ2 . . 5.160 2.325 1.967 2.789 . 0 0 "[ . 1 . 2]" 1
204 1 20 VAL QG 1 21 ALA H . . 3.510 2.287 1.974 2.503 . 0 0 "[ . 1 . 2]" 1
205 1 20 VAL QG 1 24 ASN HD21 . . 4.450 3.917 3.705 4.531 0.081 19 0 "[ . 1 . 2]" 1
206 1 20 VAL QG 1 24 ASN HD22 . . 4.950 4.813 3.254 5.035 0.085 17 0 "[ . 1 . 2]" 1
207 1 20 VAL QG 1 53 ILE HB . . 4.930 4.114 3.931 4.322 . 0 0 "[ . 1 . 2]" 1
208 1 20 VAL QG 1 53 ILE MG . . 3.710 2.487 2.120 2.916 . 0 0 "[ . 1 . 2]" 1
209 1 20 VAL QG 1 54 ASP H . . 5.040 3.874 3.576 4.146 . 0 0 "[ . 1 . 2]" 1
210 1 20 VAL QG 1 59 TRP HH2 . . 5.410 3.413 3.129 3.748 . 0 0 "[ . 1 . 2]" 1
211 1 20 VAL QG 1 59 TRP HZ2 . . 3.550 2.142 1.922 2.389 . 0 0 "[ . 1 . 2]" 1
212 1 21 ALA H 1 21 ALA MB . . 3.150 2.309 2.230 2.403 . 0 0 "[ . 1 . 2]" 1
213 1 21 ALA H 1 22 ARG H . . 5.270 4.386 4.282 4.475 . 0 0 "[ . 1 . 2]" 1
214 1 21 ALA H 1 24 ASN H . . 4.120 4.125 3.776 4.243 0.123 4 0 "[ . 1 . 2]" 1
215 1 21 ALA H 1 24 ASN HB2 . . 4.740 4.265 4.050 4.780 0.040 19 0 "[ . 1 . 2]" 1
216 1 21 ALA H 1 24 ASN QB . . 4.080 3.107 2.855 3.698 . 0 0 "[ . 1 . 2]" 1
217 1 21 ALA H 1 24 ASN HB3 . . 4.740 3.194 2.918 3.850 . 0 0 "[ . 1 . 2]" 1
218 1 21 ALA H 1 24 ASN HD21 . . 4.940 3.859 3.677 4.652 . 0 0 "[ . 1 . 2]" 1
219 1 21 ALA H 1 24 ASN HD22 . . 5.500 5.289 3.252 5.553 0.053 16 0 "[ . 1 . 2]" 1
220 1 21 ALA HA 1 22 ARG H . . 3.460 2.178 2.100 2.279 . 0 0 "[ . 1 . 2]" 1
221 1 21 ALA HA 1 22 ARG HB2 . . 5.500 4.574 4.450 4.718 . 0 0 "[ . 1 . 2]" 1
222 1 21 ALA HA 1 22 ARG HB3 . . 5.500 4.609 4.331 4.820 . 0 0 "[ . 1 . 2]" 1
223 1 21 ALA HA 1 23 ALA H . . 4.410 3.731 3.481 4.055 . 0 0 "[ . 1 . 2]" 1
224 1 21 ALA HA 1 24 ASN H . . 5.140 4.415 4.250 4.689 . 0 0 "[ . 1 . 2]" 1
225 1 21 ALA HA 1 59 TRP HD1 . . 5.420 4.738 3.775 5.249 . 0 0 "[ . 1 . 2]" 1
226 1 21 ALA HA 1 59 TRP HE1 . . 4.120 3.907 3.327 4.163 0.043 1 0 "[ . 1 . 2]" 1
227 1 21 ALA HA 1 59 TRP HZ2 . . 5.500 4.832 4.615 5.080 . 0 0 "[ . 1 . 2]" 1
228 1 21 ALA MB 1 22 ARG H . . 3.520 3.017 2.807 3.233 . 0 0 "[ . 1 . 2]" 1
229 1 21 ALA MB 1 23 ALA H . . 4.810 2.646 2.455 2.895 . 0 0 "[ . 1 . 2]" 1
230 1 21 ALA MB 1 24 ASN H . . 3.280 2.727 2.542 3.017 . 0 0 "[ . 1 . 2]" 1
231 1 21 ALA MB 1 24 ASN HB2 . . 5.290 2.617 2.191 3.813 . 0 0 "[ . 1 . 2]" 1
232 1 21 ALA MB 1 24 ASN QB . . 4.490 2.241 1.943 2.608 . 0 0 "[ . 1 . 2]" 1
233 1 21 ALA MB 1 24 ASN HB3 . . 5.290 2.519 1.976 2.980 . 0 0 "[ . 1 . 2]" 1
234 1 21 ALA MB 1 24 ASN HD21 . . 3.990 3.794 3.288 4.245 0.255 13 0 "[ . 1 . 2]" 1
235 1 21 ALA MB 1 24 ASN HD22 . . 5.500 4.969 4.020 5.375 . 0 0 "[ . 1 . 2]" 1
236 1 22 ARG H 1 22 ARG HB2 . . 3.440 2.574 2.461 2.646 . 0 0 "[ . 1 . 2]" 1
237 1 22 ARG H 1 22 ARG HB3 . . 3.710 2.462 2.302 2.585 . 0 0 "[ . 1 . 2]" 1
238 1 22 ARG H 1 22 ARG QD . . 4.660 4.375 4.219 4.667 0.007 19 0 "[ . 1 . 2]" 1
239 1 22 ARG H 1 22 ARG QG . . 4.050 3.998 3.945 4.064 0.014 13 0 "[ . 1 . 2]" 1
240 1 22 ARG H 1 23 ALA H . . 3.720 2.548 2.395 2.742 . 0 0 "[ . 1 . 2]" 1
241 1 22 ARG H 1 25 VAL QG . . 4.370 4.229 3.939 4.430 0.060 13 0 "[ . 1 . 2]" 1
242 1 22 ARG H 1 59 TRP HZ2 . . 5.500 4.742 4.378 5.179 . 0 0 "[ . 1 . 2]" 1
243 1 22 ARG HA 1 22 ARG QD . . 4.240 3.174 2.144 4.022 . 0 0 "[ . 1 . 2]" 1
244 1 22 ARG HA 1 25 VAL H . . 4.740 3.385 3.026 3.994 . 0 0 "[ . 1 . 2]" 1
245 1 22 ARG HA 1 25 VAL HB . . 4.880 3.651 2.618 4.926 0.046 17 0 "[ . 1 . 2]" 1
246 1 22 ARG HA 1 25 VAL QG . . 3.860 2.155 1.935 3.116 . 0 0 "[ . 1 . 2]" 1
247 1 22 ARG HA 1 59 TRP HH2 . . 4.910 3.505 3.137 3.768 . 0 0 "[ . 1 . 2]" 1
248 1 22 ARG HA 1 59 TRP HZ2 . . 4.710 3.960 3.553 4.423 . 0 0 "[ . 1 . 2]" 1
249 1 22 ARG HB2 1 23 ALA H . . 4.060 4.039 3.863 4.104 0.044 15 0 "[ . 1 . 2]" 1
250 1 22 ARG HB2 1 59 TRP HB2 . . 5.500 3.374 2.712 3.992 . 0 0 "[ . 1 . 2]" 1
251 1 22 ARG HB2 1 59 TRP HB3 . . 5.500 4.265 3.734 4.848 . 0 0 "[ . 1 . 2]" 1
252 1 22 ARG HB2 1 59 TRP HE1 . . 5.500 4.939 4.245 5.523 0.023 7 0 "[ . 1 . 2]" 1
253 1 22 ARG HB2 1 59 TRP HH2 . . 5.500 4.555 3.855 5.255 . 0 0 "[ . 1 . 2]" 1
254 1 22 ARG HB2 1 59 TRP HZ3 . . 5.500 3.783 3.179 4.133 . 0 0 "[ . 1 . 2]" 1
255 1 22 ARG HB3 1 22 ARG QD . . 3.800 2.906 2.374 3.480 . 0 0 "[ . 1 . 2]" 1
256 1 22 ARG HB3 1 23 ALA H . . 3.780 2.930 2.588 3.154 . 0 0 "[ . 1 . 2]" 1
257 1 22 ARG HB3 1 23 ALA HA . . 5.500 4.456 4.283 4.569 . 0 0 "[ . 1 . 2]" 1
258 1 22 ARG HB3 1 59 TRP HB2 . . 5.500 4.448 3.838 4.864 . 0 0 "[ . 1 . 2]" 1
259 1 22 ARG HB3 1 59 TRP HB3 . . 5.500 5.085 4.475 5.505 0.005 11 0 "[ . 1 . 2]" 1
260 1 22 ARG HB3 1 59 TRP HZ3 . . 5.500 5.247 4.698 5.547 0.047 2 0 "[ . 1 . 2]" 1
261 1 22 ARG QD 1 23 ALA H . . 5.470 4.947 4.562 5.515 0.045 19 0 "[ . 1 . 2]" 1
262 1 22 ARG QD 1 25 VAL QG . . 4.840 3.499 2.067 4.791 . 0 0 "[ . 1 . 2]" 1
263 1 22 ARG QD 1 28 LEU MD1 . . 5.500 4.618 3.614 5.575 0.075 17 0 "[ . 1 . 2]" 1
264 1 22 ARG QD 1 28 LEU MD2 . . 5.500 4.280 3.085 5.509 0.009 20 0 "[ . 1 . 2]" 1
265 1 22 ARG QD 1 59 TRP HB2 . . 5.250 3.494 2.760 4.315 . 0 0 "[ . 1 . 2]" 1
266 1 22 ARG QD 1 59 TRP HB3 . . 5.500 4.876 3.940 5.551 0.051 1 0 "[ . 1 . 2]" 1
267 1 22 ARG QD 1 59 TRP HE3 . . 4.600 2.189 1.997 2.671 . 0 0 "[ . 1 . 2]" 1
268 1 22 ARG QD 1 59 TRP HH2 . . 4.510 4.303 3.636 4.651 0.141 18 0 "[ . 1 . 2]" 1
269 1 22 ARG QD 1 59 TRP HZ3 . . 4.720 2.692 2.322 3.137 . 0 0 "[ . 1 . 2]" 1
270 1 22 ARG QG 1 59 TRP HE3 . . 4.670 3.705 3.545 4.019 . 0 0 "[ . 1 . 2]" 1
271 1 23 ALA H 1 23 ALA MB . . 3.230 2.252 2.187 2.290 . 0 0 "[ . 1 . 2]" 1
272 1 23 ALA H 1 24 ASN H . . 3.120 2.580 2.473 2.689 . 0 0 "[ . 1 . 2]" 1
273 1 23 ALA H 1 25 VAL H . . 4.830 4.109 3.946 4.266 . 0 0 "[ . 1 . 2]" 1
274 1 23 ALA HA 1 25 VAL H . . 4.600 3.968 3.695 4.198 . 0 0 "[ . 1 . 2]" 1
275 1 23 ALA MB 1 24 ASN H . . 3.980 3.175 3.052 3.271 . 0 0 "[ . 1 . 2]" 1
276 1 23 ALA MB 1 25 VAL H . . 4.620 4.579 4.447 4.678 0.058 17 0 "[ . 1 . 2]" 1
277 1 24 ASN H 1 24 ASN HB2 . . 3.840 2.938 2.730 3.818 . 0 0 "[ . 1 . 2]" 1
278 1 24 ASN H 1 24 ASN QB . . 3.130 2.435 2.314 2.732 . 0 0 "[ . 1 . 2]" 1
279 1 24 ASN H 1 24 ASN HB3 . . 3.840 2.615 2.500 2.799 . 0 0 "[ . 1 . 2]" 1
280 1 24 ASN H 1 25 VAL H . . 3.300 2.175 2.032 2.460 . 0 0 "[ . 1 . 2]" 1
281 1 24 ASN H 1 45 LYS QD . . 5.100 4.456 3.912 5.193 0.093 9 0 "[ . 1 . 2]" 1
282 1 24 ASN HA 1 24 ASN HD21 . . 4.220 4.268 3.623 4.346 0.126 10 0 "[ . 1 . 2]" 1
283 1 24 ASN HA 1 24 ASN HD22 . . 4.860 4.649 4.415 5.115 0.255 19 0 "[ . 1 . 2]" 1
284 1 24 ASN HA 1 45 LYS HB2 . . 4.630 2.941 2.540 4.756 0.126 11 0 "[ . 1 . 2]" 1
285 1 24 ASN HA 1 45 LYS HB3 . . 4.450 4.404 3.968 4.551 0.101 8 0 "[ . 1 . 2]" 1
286 1 24 ASN HA 1 45 LYS QD . . 4.180 2.713 2.109 3.891 . 0 0 "[ . 1 . 2]" 1
287 1 24 ASN HA 1 45 LYS HG2 . . 5.470 4.515 1.997 4.929 . 0 0 "[ . 1 . 2]" 1
288 1 24 ASN HA 1 45 LYS QG . . 4.800 3.077 1.982 3.441 . 0 0 "[ . 1 . 2]" 1
289 1 24 ASN HA 1 45 LYS HG3 . . 5.470 3.197 2.590 3.529 . 0 0 "[ . 1 . 2]" 1
290 1 24 ASN QB 1 25 VAL H . . 4.180 3.433 3.074 3.890 . 0 0 "[ . 1 . 2]" 1
291 1 24 ASN QB 1 44 LEU MD1 . . 4.930 4.321 3.657 4.872 . 0 0 "[ . 1 . 2]" 1
292 1 24 ASN QB 1 44 LEU MD2 . . 4.040 2.916 2.150 3.845 . 0 0 "[ . 1 . 2]" 1
293 1 24 ASN HB2 1 25 VAL H . . 4.770 4.352 4.160 4.568 . 0 0 "[ . 1 . 2]" 1
294 1 24 ASN HB3 1 25 VAL H . . 4.770 3.602 3.167 4.214 . 0 0 "[ . 1 . 2]" 1
295 1 24 ASN HD21 1 44 LEU HB2 . . 4.700 4.731 4.254 4.856 0.156 16 0 "[ . 1 . 2]" 1
296 1 24 ASN HD21 1 44 LEU HB3 . . 5.500 3.255 2.564 5.082 . 0 0 "[ . 1 . 2]" 1
297 1 24 ASN HD21 1 44 LEU MD1 . . 4.490 2.859 2.405 3.355 . 0 0 "[ . 1 . 2]" 1
298 1 24 ASN HD21 1 44 LEU MD2 . . 4.340 2.007 1.681 2.538 . 0 0 "[ . 1 . 2]" 1
299 1 24 ASN HD21 1 44 LEU HG . . 4.670 4.616 2.627 4.763 0.093 4 0 "[ . 1 . 2]" 1
300 1 24 ASN HD21 1 45 LYS H . . 5.280 4.459 3.585 5.001 . 0 0 "[ . 1 . 2]" 1
301 1 24 ASN HD22 1 44 LEU HB2 . . 4.470 3.697 3.424 4.510 0.040 13 0 "[ . 1 . 2]" 1
302 1 24 ASN HD22 1 44 LEU HB3 . . 5.400 2.296 1.853 5.409 0.009 19 0 "[ . 1 . 2]" 1
303 1 24 ASN HD22 1 44 LEU MD1 . . 4.600 2.222 1.840 2.883 . 0 0 "[ . 1 . 2]" 1
304 1 24 ASN HD22 1 44 LEU MD2 . . 4.730 2.495 1.720 3.415 . 0 0 "[ . 1 . 2]" 1
305 1 24 ASN HD22 1 44 LEU HG . . 4.850 4.227 2.618 4.518 . 0 0 "[ . 1 . 2]" 1
306 1 25 VAL H 1 25 VAL HB . . 3.390 2.918 2.442 3.573 0.183 3 0 "[ . 1 . 2]" 1
307 1 25 VAL H 1 25 VAL QG . . 3.440 2.097 1.827 2.519 . 0 0 "[ . 1 . 2]" 1
308 1 25 VAL H 1 44 LEU MD2 . . 5.310 4.556 3.953 5.142 . 0 0 "[ . 1 . 2]" 1
309 1 25 VAL H 1 45 LYS H . . 5.140 4.682 4.486 4.941 . 0 0 "[ . 1 . 2]" 1
310 1 25 VAL H 1 45 LYS QD . . 5.040 3.755 2.974 4.458 . 0 0 "[ . 1 . 2]" 1
311 1 25 VAL H 1 59 TRP HH2 . . 5.470 5.364 5.047 5.539 0.069 1 0 "[ . 1 . 2]" 1
312 1 25 VAL HA 1 26 LYS H . . 3.410 2.058 1.951 2.185 . 0 0 "[ . 1 . 2]" 1
313 1 25 VAL HA 1 42 ALA HA . . 5.500 5.545 5.465 5.593 0.093 10 0 "[ . 1 . 2]" 1
314 1 25 VAL HA 1 42 ALA MB . . 5.150 3.622 3.449 3.843 . 0 0 "[ . 1 . 2]" 1
315 1 25 VAL HA 1 43 ARG HA . . 5.500 5.346 5.085 5.533 0.033 18 0 "[ . 1 . 2]" 1
316 1 25 VAL HA 1 44 LEU HA . . 4.510 2.643 2.237 3.193 . 0 0 "[ . 1 . 2]" 1
317 1 25 VAL HA 1 44 LEU MD2 . . 4.010 3.106 2.515 4.042 0.032 19 0 "[ . 1 . 2]" 1
318 1 25 VAL HA 1 45 LYS H . . 4.030 3.540 3.161 3.992 . 0 0 "[ . 1 . 2]" 1
319 1 25 VAL HA 1 45 LYS QD . . 5.500 4.565 3.920 5.131 . 0 0 "[ . 1 . 2]" 1
320 1 25 VAL HA 1 45 LYS QG . . 5.340 3.393 3.084 4.458 . 0 0 "[ . 1 . 2]" 1
321 1 25 VAL HA 1 53 ILE MD . . 5.500 5.054 4.618 5.407 . 0 0 "[ . 1 . 2]" 1
322 1 25 VAL HB 1 26 LYS H . . 4.350 4.029 3.266 4.313 . 0 0 "[ . 1 . 2]" 1
323 1 25 VAL HB 1 42 ALA MB . . 4.150 3.381 2.385 4.199 0.049 11 0 "[ . 1 . 2]" 1
324 1 25 VAL HB 1 44 LEU HA . . 5.500 4.976 4.434 5.555 0.055 9 0 "[ . 1 . 2]" 1
325 1 25 VAL HB 1 59 TRP HH2 . . 5.260 3.466 2.540 4.391 . 0 0 "[ . 1 . 2]" 1
326 1 25 VAL QG 1 26 LYS H . . 3.790 2.848 2.505 3.612 . 0 0 "[ . 1 . 2]" 1
327 1 25 VAL QG 1 42 ALA HA . . 5.450 3.348 2.804 4.541 . 0 0 "[ . 1 . 2]" 1
328 1 25 VAL QG 1 42 ALA MB . . 3.360 1.907 1.785 2.415 . 0 0 "[ . 1 . 2]" 1
329 1 25 VAL QG 1 43 ARG HA . . 5.400 4.693 4.221 5.401 0.001 15 0 "[ . 1 . 2]" 1
330 1 25 VAL QG 1 44 LEU HA . . 4.720 3.828 3.332 4.451 . 0 0 "[ . 1 . 2]" 1
331 1 25 VAL QG 1 59 TRP HH2 . . 3.820 2.166 1.846 2.704 . 0 0 "[ . 1 . 2]" 1
332 1 25 VAL QG 1 59 TRP HZ2 . . 4.200 3.323 2.548 4.087 . 0 0 "[ . 1 . 2]" 1
333 1 25 VAL QG 1 59 TRP HZ3 . . 4.960 3.092 2.254 3.779 . 0 0 "[ . 1 . 2]" 1
334 1 25 VAL QG 1 63 TYR QE . . 5.500 5.233 4.749 5.562 0.062 1 0 "[ . 1 . 2]" 1
335 1 26 LYS H 1 26 LYS QB . . 3.660 2.420 2.083 2.872 . 0 0 "[ . 1 . 2]" 1
336 1 26 LYS H 1 26 LYS QD . . 5.500 4.199 3.826 4.779 . 0 0 "[ . 1 . 2]" 1
337 1 26 LYS H 1 26 LYS QG . . 4.240 3.125 2.161 4.004 . 0 0 "[ . 1 . 2]" 1
338 1 26 LYS H 1 27 HIS H . . 3.890 2.500 2.238 2.846 . 0 0 "[ . 1 . 2]" 1
339 1 26 LYS H 1 43 ARG H . . 4.620 3.565 3.337 3.772 . 0 0 "[ . 1 . 2]" 1
340 1 26 LYS H 1 43 ARG HB2 . . 5.500 5.167 4.971 5.350 . 0 0 "[ . 1 . 2]" 1
341 1 26 LYS H 1 43 ARG HB3 . . 5.500 3.772 3.509 4.023 . 0 0 "[ . 1 . 2]" 1
342 1 26 LYS H 1 44 LEU HA . . 4.320 3.076 2.792 3.381 . 0 0 "[ . 1 . 2]" 1
343 1 26 LYS H 1 44 LEU MD2 . . 4.660 4.186 3.777 4.684 0.024 19 0 "[ . 1 . 2]" 1
344 1 26 LYS H 1 45 LYS H . . 4.480 3.591 3.206 3.887 . 0 0 "[ . 1 . 2]" 1
345 1 26 LYS HA 1 26 LYS QD . . 5.130 3.475 2.056 4.544 . 0 0 "[ . 1 . 2]" 1
346 1 26 LYS HA 1 26 LYS HE2 . . 4.950 4.527 1.874 5.073 0.123 2 0 "[ . 1 . 2]" 1
347 1 26 LYS HA 1 26 LYS HE3 . . 4.950 4.336 2.231 5.018 0.068 12 0 "[ . 1 . 2]" 1
348 1 26 LYS HA 1 45 LYS HA . . 5.500 4.435 3.764 5.092 . 0 0 "[ . 1 . 2]" 1
349 1 26 LYS HA 1 45 LYS HB2 . . 5.480 5.193 3.546 5.574 0.094 12 0 "[ . 1 . 2]" 1
350 1 26 LYS HA 1 45 LYS HB3 . . 5.400 4.858 2.356 5.412 0.012 3 0 "[ . 1 . 2]" 1
351 1 26 LYS HA 1 45 LYS QD . . 5.350 3.148 2.675 3.568 . 0 0 "[ . 1 . 2]" 1
352 1 26 LYS HA 1 45 LYS HG2 . . 5.200 2.675 2.136 4.588 . 0 0 "[ . 1 . 2]" 1
353 1 26 LYS HA 1 45 LYS HG3 . . 5.200 3.232 2.714 5.235 0.035 11 0 "[ . 1 . 2]" 1
354 1 26 LYS QB 1 27 HIS H . . 3.810 2.701 1.893 3.705 . 0 0 "[ . 1 . 2]" 1
355 1 26 LYS QB 1 27 HIS HD2 . . 5.340 4.217 2.853 5.416 0.076 6 0 "[ . 1 . 2]" 1
356 1 26 LYS QB 1 45 LYS H . . 5.340 3.786 3.041 5.028 . 0 0 "[ . 1 . 2]" 1
357 1 26 LYS QB 1 45 LYS HA . . 4.360 2.730 1.993 4.178 . 0 0 "[ . 1 . 2]" 1
358 1 26 LYS HB2 1 45 LYS HA . . 5.030 3.343 2.003 4.513 . 0 0 "[ . 1 . 2]" 1
359 1 26 LYS HB3 1 45 LYS HA . . 5.030 3.636 2.590 4.966 . 0 0 "[ . 1 . 2]" 1
360 1 26 LYS QD 1 27 HIS HD2 . . 5.500 5.147 4.628 5.640 0.140 16 0 "[ . 1 . 2]" 1
361 1 26 LYS QD 1 45 LYS HA . . 4.490 3.313 2.205 4.599 0.109 9 0 "[ . 1 . 2]" 1
362 1 26 LYS QE 1 45 LYS QG . . 4.660 3.783 2.427 4.737 0.077 11 0 "[ . 1 . 2]" 1
363 1 26 LYS HE2 1 26 LYS QG . . 3.850 2.610 2.280 3.467 . 0 0 "[ . 1 . 2]" 1
364 1 26 LYS HE3 1 26 LYS QG . . 3.850 2.612 2.309 3.008 . 0 0 "[ . 1 . 2]" 1
365 1 26 LYS QG 1 27 HIS H . . 5.320 3.327 2.238 4.565 . 0 0 "[ . 1 . 2]" 1
366 1 26 LYS QG 1 27 HIS HD2 . . 5.500 4.430 3.277 5.597 0.097 15 0 "[ . 1 . 2]" 1
367 1 26 LYS QG 1 43 ARG QD . . 5.330 4.292 3.238 5.326 . 0 0 "[ . 1 . 2]" 1
368 1 26 LYS QG 1 45 LYS HA . . 3.890 3.089 1.943 3.944 0.054 20 0 "[ . 1 . 2]" 1
369 1 27 HIS H 1 42 ALA HA . . 5.500 4.115 3.869 4.454 . 0 0 "[ . 1 . 2]" 1
370 1 27 HIS H 1 42 ALA MB . . 5.500 4.114 3.698 4.565 . 0 0 "[ . 1 . 2]" 1
371 1 27 HIS H 1 43 ARG H . . 4.220 2.613 2.348 2.888 . 0 0 "[ . 1 . 2]" 1
372 1 27 HIS H 1 43 ARG HB2 . . 5.500 4.147 3.676 4.748 . 0 0 "[ . 1 . 2]" 1
373 1 27 HIS H 1 43 ARG HB3 . . 5.500 3.161 2.761 3.955 . 0 0 "[ . 1 . 2]" 1
374 1 27 HIS HA 1 27 HIS HD2 . . 4.910 4.212 4.058 4.423 . 0 0 "[ . 1 . 2]" 1
375 1 27 HIS HB2 1 27 HIS HD2 . . 3.960 3.692 3.504 3.953 . 0 0 "[ . 1 . 2]" 1
376 1 27 HIS HB2 1 43 ARG H . . 5.500 5.235 5.039 5.476 . 0 0 "[ . 1 . 2]" 1
377 1 27 HIS HB2 1 43 ARG HB2 . . 5.500 5.671 5.572 5.711 0.211 3 0 "[ . 1 . 2]" 1
378 1 27 HIS HB2 1 43 ARG HB3 . . 5.500 5.541 5.416 5.616 0.116 16 0 "[ . 1 . 2]" 1
379 1 27 HIS HB3 1 27 HIS HD2 . . 3.960 3.662 3.256 3.942 . 0 0 "[ . 1 . 2]" 1
380 1 27 HIS HB3 1 43 ARG H . . 5.500 5.120 4.480 5.500 . 0 0 "[ . 1 . 2]" 1
381 1 27 HIS HB3 1 43 ARG HB2 . . 5.500 5.206 4.720 5.515 0.015 1 0 "[ . 1 . 2]" 1
382 1 27 HIS HB3 1 43 ARG HB3 . . 5.500 4.656 4.113 4.998 . 0 0 "[ . 1 . 2]" 1
383 1 27 HIS HD2 1 29 LYS HB2 . . 5.500 5.039 4.379 5.518 0.018 19 0 "[ . 1 . 2]" 1
384 1 27 HIS HD2 1 29 LYS HB3 . . 5.500 5.222 4.253 5.552 0.052 16 0 "[ . 1 . 2]" 1
385 1 27 HIS HD2 1 29 LYS QE . . 4.950 5.010 4.739 5.095 0.145 15 0 "[ . 1 . 2]" 1
386 1 27 HIS HE1 1 29 LYS HB2 . . 5.500 4.631 2.982 5.385 . 0 0 "[ . 1 . 2]" 1
387 1 27 HIS HE1 1 29 LYS HB3 . . 5.500 5.266 3.488 5.583 0.083 15 0 "[ . 1 . 2]" 1
388 1 27 HIS HE1 1 43 ARG HB2 . . 4.540 4.354 3.909 4.664 0.124 9 0 "[ . 1 . 2]" 1
389 1 28 LEU H 1 28 LEU HG . . 5.500 4.246 3.188 4.765 . 0 0 "[ . 1 . 2]" 1
390 1 28 LEU HA 1 42 ALA HA . . 4.780 2.994 2.698 3.303 . 0 0 "[ . 1 . 2]" 1
391 1 28 LEU HA 1 42 ALA MB . . 4.380 3.296 2.730 3.746 . 0 0 "[ . 1 . 2]" 1
392 1 28 LEU HA 1 43 ARG H . . 4.910 4.400 4.006 4.672 . 0 0 "[ . 1 . 2]" 1
393 1 28 LEU HB2 1 29 LYS H . . 5.500 4.187 4.091 4.435 . 0 0 "[ . 1 . 2]" 1
394 1 28 LEU HB3 1 29 LYS H . . 5.350 3.222 3.028 4.109 . 0 0 "[ . 1 . 2]" 1
395 1 28 LEU QD 1 29 LYS H . . 4.830 3.359 2.260 3.519 . 0 0 "[ . 1 . 2]" 1
396 1 28 LEU QD 1 42 ALA HA . . 5.120 3.366 3.016 3.722 . 0 0 "[ . 1 . 2]" 1
397 1 28 LEU QD 1 42 ALA MB . . 3.180 2.448 1.942 2.993 . 0 0 "[ . 1 . 2]" 1
398 1 28 LEU QD 1 59 TRP HH2 . . 4.590 2.175 1.811 2.477 . 0 0 "[ . 1 . 2]" 1
399 1 28 LEU QD 1 59 TRP HZ3 . . 5.400 2.640 2.056 3.158 . 0 0 "[ . 1 . 2]" 1
400 1 28 LEU QD 1 60 ILE HA . . 5.440 5.054 4.312 5.451 0.011 15 0 "[ . 1 . 2]" 1
401 1 28 LEU QD 1 63 TYR QD . . 5.440 3.702 3.079 4.024 . 0 0 "[ . 1 . 2]" 1
402 1 28 LEU QD 1 63 TYR QE . . 4.850 3.116 2.618 3.400 . 0 0 "[ . 1 . 2]" 1
403 1 28 LEU MD1 1 29 LYS H . . 5.500 3.528 2.369 4.928 . 0 0 "[ . 1 . 2]" 1
404 1 28 LEU MD1 1 42 ALA MB . . 4.450 2.674 2.229 4.459 0.009 6 0 "[ . 1 . 2]" 1
405 1 28 LEU MD1 1 59 TRP HH2 . . 5.230 2.356 1.816 4.305 . 0 0 "[ . 1 . 2]" 1
406 1 28 LEU MD1 1 63 TYR QE . . 5.500 3.804 2.631 4.320 . 0 0 "[ . 1 . 2]" 1
407 1 28 LEU MD2 1 29 LYS H . . 5.500 4.603 2.857 4.857 . 0 0 "[ . 1 . 2]" 1
408 1 28 LEU MD2 1 42 ALA MB . . 4.450 3.820 1.948 4.410 . 0 0 "[ . 1 . 2]" 1
409 1 28 LEU MD2 1 59 TRP HH2 . . 5.230 3.560 1.968 4.285 . 0 0 "[ . 1 . 2]" 1
410 1 28 LEU MD2 1 63 TYR QE . . 5.500 3.469 2.826 4.720 . 0 0 "[ . 1 . 2]" 1
411 1 28 LEU HG 1 29 LYS H . . 5.500 5.186 4.826 5.326 . 0 0 "[ . 1 . 2]" 1
412 1 29 LYS H 1 29 LYS QD . . 5.100 4.940 4.599 5.172 0.072 19 0 "[ . 1 . 2]" 1
413 1 29 LYS H 1 29 LYS QG . . 4.370 4.062 3.998 4.191 . 0 0 "[ . 1 . 2]" 1
414 1 29 LYS H 1 40 ILE MG . . 4.760 3.478 3.294 3.643 . 0 0 "[ . 1 . 2]" 1
415 1 29 LYS H 1 41 VAL H . . 4.040 3.235 3.121 3.510 . 0 0 "[ . 1 . 2]" 1
416 1 29 LYS H 1 41 VAL HB . . 5.240 3.796 3.430 4.191 . 0 0 "[ . 1 . 2]" 1
417 1 29 LYS H 1 41 VAL QG . . 4.860 4.148 3.901 4.399 . 0 0 "[ . 1 . 2]" 1
418 1 29 LYS H 1 42 ALA HA . . 5.050 3.538 3.222 3.811 . 0 0 "[ . 1 . 2]" 1
419 1 29 LYS HA 1 29 LYS QE . . 5.500 4.029 2.753 4.649 . 0 0 "[ . 1 . 2]" 1
420 1 29 LYS HA 1 41 VAL HB . . 5.500 4.900 4.759 5.147 . 0 0 "[ . 1 . 2]" 1
421 1 29 LYS HB2 1 29 LYS QE . . 3.530 2.246 1.889 2.931 . 0 0 "[ . 1 . 2]" 1
422 1 29 LYS HB2 1 30 ILE H . . 4.930 4.362 4.251 4.469 . 0 0 "[ . 1 . 2]" 1
423 1 29 LYS HB2 1 41 VAL H . . 5.500 5.076 4.786 5.342 . 0 0 "[ . 1 . 2]" 1
424 1 29 LYS HB2 1 41 VAL HB . . 4.230 3.926 3.692 4.088 . 0 0 "[ . 1 . 2]" 1
425 1 29 LYS HB2 1 41 VAL QG . . 4.190 4.168 3.906 4.248 0.058 6 0 "[ . 1 . 2]" 1
426 1 29 LYS HB3 1 29 LYS QE . . 4.240 2.614 1.956 3.329 . 0 0 "[ . 1 . 2]" 1
427 1 29 LYS HB3 1 30 ILE H . . 4.880 4.267 4.138 4.352 . 0 0 "[ . 1 . 2]" 1
428 1 29 LYS HB3 1 41 VAL H . . 5.500 3.571 3.296 3.955 . 0 0 "[ . 1 . 2]" 1
429 1 29 LYS HB3 1 41 VAL HB . . 3.850 2.230 2.020 2.419 . 0 0 "[ . 1 . 2]" 1
430 1 29 LYS HB3 1 41 VAL QG . . 4.240 3.083 2.922 3.246 . 0 0 "[ . 1 . 2]" 1
431 1 29 LYS QG 1 30 ILE H . . 4.710 3.028 2.766 3.271 . 0 0 "[ . 1 . 2]" 1
432 1 29 LYS QG 1 41 VAL HB . . 4.420 3.245 2.890 3.630 . 0 0 "[ . 1 . 2]" 1
433 1 30 ILE H 1 30 ILE HB . . 3.840 2.693 2.563 2.818 . 0 0 "[ . 1 . 2]" 1
434 1 30 ILE H 1 30 ILE MD . . 4.320 4.162 4.012 4.286 . 0 0 "[ . 1 . 2]" 1
435 1 30 ILE H 1 30 ILE HG12 . . 4.930 3.870 3.738 3.982 . 0 0 "[ . 1 . 2]" 1
436 1 30 ILE H 1 30 ILE HG13 . . 4.930 2.855 2.667 2.999 . 0 0 "[ . 1 . 2]" 1
437 1 30 ILE H 1 30 ILE MG . . 4.470 3.869 3.813 3.925 . 0 0 "[ . 1 . 2]" 1
438 1 30 ILE HA 1 40 ILE HA . . 5.070 2.156 2.027 2.286 . 0 0 "[ . 1 . 2]" 1
439 1 30 ILE HA 1 40 ILE HB . . 5.360 5.070 4.818 5.279 . 0 0 "[ . 1 . 2]" 1
440 1 30 ILE HA 1 40 ILE MD . . 5.390 4.992 4.683 5.293 . 0 0 "[ . 1 . 2]" 1
441 1 30 ILE HA 1 40 ILE HG12 . . 5.330 3.653 3.302 4.033 . 0 0 "[ . 1 . 2]" 1
442 1 30 ILE HA 1 40 ILE HG13 . . 5.500 4.674 4.459 4.957 . 0 0 "[ . 1 . 2]" 1
443 1 30 ILE HA 1 40 ILE MG . . 4.670 3.335 2.883 3.634 . 0 0 "[ . 1 . 2]" 1
444 1 30 ILE HA 1 41 VAL H . . 4.310 2.752 2.585 2.943 . 0 0 "[ . 1 . 2]" 1
445 1 30 ILE HB 1 40 ILE HA . . 5.260 4.660 4.520 4.801 . 0 0 "[ . 1 . 2]" 1
446 1 30 ILE HB 1 41 VAL H . . 5.500 5.515 5.289 5.585 0.085 3 0 "[ . 1 . 2]" 1
447 1 30 ILE MD 1 40 ILE HA . . 4.820 4.036 3.639 4.392 . 0 0 "[ . 1 . 2]" 1
448 1 30 ILE MD 1 40 ILE MD . . 2.690 2.762 2.723 2.800 0.110 8 0 "[ . 1 . 2]" 1
449 1 30 ILE MD 1 40 ILE HG12 . . 4.390 2.442 2.162 2.698 . 0 0 "[ . 1 . 2]" 1
450 1 30 ILE MD 1 40 ILE MG . . 3.040 2.863 2.527 3.080 0.040 17 0 "[ . 1 . 2]" 1
451 1 30 ILE MD 1 41 VAL H . . 5.500 5.034 4.683 5.356 . 0 0 "[ . 1 . 2]" 1
452 1 30 ILE MD 1 55 PRO HA . . 5.500 5.098 4.900 5.491 . 0 0 "[ . 1 . 2]" 1
453 1 30 ILE MD 1 60 ILE MD . . 4.370 3.698 3.469 3.982 . 0 0 "[ . 1 . 2]" 1
454 1 30 ILE MD 1 63 TYR QD . . 5.500 2.674 2.339 3.355 . 0 0 "[ . 1 . 2]" 1
455 1 30 ILE MD 1 63 TYR QE . . 5.380 2.291 1.776 2.763 . 0 0 "[ . 1 . 2]" 1
456 1 30 ILE HG12 1 30 ILE MG . . 3.460 2.375 2.351 2.407 . 0 0 "[ . 1 . 2]" 1
457 1 30 ILE HG12 1 40 ILE HA . . 5.500 2.652 2.297 3.033 . 0 0 "[ . 1 . 2]" 1
458 1 30 ILE HG12 1 40 ILE HB . . 4.460 4.268 4.163 4.380 . 0 0 "[ . 1 . 2]" 1
459 1 30 ILE HG12 1 40 ILE MD . . 4.400 3.372 3.069 3.682 . 0 0 "[ . 1 . 2]" 1
460 1 30 ILE HG12 1 40 ILE HG12 . . 3.210 2.237 2.078 2.458 . 0 0 "[ . 1 . 2]" 1
461 1 30 ILE HG12 1 40 ILE MG . . 4.250 1.903 1.867 1.953 . 0 0 "[ . 1 . 2]" 1
462 1 30 ILE HG12 1 41 VAL H . . 5.500 3.607 3.182 3.993 . 0 0 "[ . 1 . 2]" 1
463 1 30 ILE HG13 1 30 ILE MG . . 3.610 3.188 3.151 3.201 . 0 0 "[ . 1 . 2]" 1
464 1 30 ILE HG13 1 40 ILE HA . . 5.130 4.115 3.906 4.377 . 0 0 "[ . 1 . 2]" 1
465 1 30 ILE HG13 1 40 ILE HG12 . . 4.380 3.910 3.785 4.026 . 0 0 "[ . 1 . 2]" 1
466 1 30 ILE HG13 1 40 ILE MG . . 4.190 3.034 2.930 3.137 . 0 0 "[ . 1 . 2]" 1
467 1 30 ILE HG13 1 41 VAL H . . 5.500 4.419 4.121 4.737 . 0 0 "[ . 1 . 2]" 1
468 1 30 ILE HG13 1 63 TYR QE . . 5.500 3.260 2.672 3.792 . 0 0 "[ . 1 . 2]" 1
469 1 30 ILE MG 1 32 ASN HB2 . . 5.500 5.307 5.139 5.519 0.019 9 0 "[ . 1 . 2]" 1
470 1 30 ILE MG 1 32 ASN HB3 . . 5.330 4.682 3.738 5.436 0.106 11 0 "[ . 1 . 2]" 1
471 1 30 ILE MG 1 32 ASN HD21 . . 5.500 4.224 2.729 5.512 0.012 9 0 "[ . 1 . 2]" 1
472 1 30 ILE MG 1 32 ASN HD22 . . 5.500 4.459 2.569 5.650 0.150 16 0 "[ . 1 . 2]" 1
473 1 30 ILE MG 1 38 LEU HA . . 4.810 4.443 4.197 4.836 0.026 3 0 "[ . 1 . 2]" 1
474 1 30 ILE MG 1 40 ILE HA . . 4.340 2.636 2.390 2.834 . 0 0 "[ . 1 . 2]" 1
475 1 30 ILE MG 1 40 ILE HB . . 4.370 4.460 4.423 4.538 0.168 16 0 "[ . 1 . 2]" 1
476 1 30 ILE MG 1 40 ILE HG12 . . 3.660 2.156 1.993 2.345 . 0 0 "[ . 1 . 2]" 1
477 1 30 ILE MG 1 41 VAL H . . 4.600 4.294 4.060 4.451 . 0 0 "[ . 1 . 2]" 1
478 1 30 ILE MG 1 63 TYR QD . . 5.500 5.393 5.066 5.623 0.123 12 0 "[ . 1 . 2]" 1
479 1 30 ILE MG 1 63 TYR QE . . 5.500 4.910 4.180 5.452 . 0 0 "[ . 1 . 2]" 1
480 1 31 LEU H 1 31 LEU QD . . 5.130 3.851 3.741 3.893 . 0 0 "[ . 1 . 2]" 1
481 1 31 LEU H 1 31 LEU HG . . 5.220 4.445 4.378 4.723 . 0 0 "[ . 1 . 2]" 1
482 1 31 LEU H 1 39 GLN H . . 5.500 3.824 3.448 4.075 . 0 0 "[ . 1 . 2]" 1
483 1 31 LEU H 1 40 ILE HA . . 5.090 2.991 2.593 3.212 . 0 0 "[ . 1 . 2]" 1
484 1 31 LEU HA 1 31 LEU QD . . 3.710 2.078 1.999 2.156 . 0 0 "[ . 1 . 2]" 1
485 1 31 LEU HA 1 32 ASN H . . 3.570 2.114 2.023 2.205 . 0 0 "[ . 1 . 2]" 1
486 1 31 LEU QB 1 32 ASN H . . 4.330 3.841 3.708 3.953 . 0 0 "[ . 1 . 2]" 1
487 1 31 LEU QB 1 39 GLN H . . 4.080 3.827 3.341 4.094 0.014 1 0 "[ . 1 . 2]" 1
488 1 31 LEU QB 1 39 GLN HB2 . . 4.770 2.895 1.788 4.763 . 0 0 "[ . 1 . 2]" 1
489 1 31 LEU QB 1 39 GLN HE21 . . 4.920 4.179 2.879 4.970 0.050 15 0 "[ . 1 . 2]" 1
490 1 31 LEU QB 1 39 GLN HE22 . . 5.380 4.928 3.991 5.615 0.235 16 0 "[ . 1 . 2]" 1
491 1 31 LEU QB 1 39 GLN HG2 . . 5.500 4.458 2.411 5.561 0.061 3 0 "[ . 1 . 2]" 1
492 1 31 LEU QB 1 39 GLN HG3 . . 5.500 4.883 2.336 5.531 0.031 18 0 "[ . 1 . 2]" 1
493 1 31 LEU QD 1 32 ASN H . . 4.810 2.506 2.088 2.886 . 0 0 "[ . 1 . 2]" 1
494 1 31 LEU QD 1 32 ASN HD21 . . 4.910 4.182 3.401 4.803 . 0 0 "[ . 1 . 2]" 1
495 1 31 LEU QD 1 32 ASN HD22 . . 5.100 4.880 4.138 5.234 0.134 17 0 "[ . 1 . 2]" 1
496 1 31 LEU HG 1 39 GLN H . . 5.500 4.710 4.340 5.533 0.033 2 0 "[ . 1 . 2]" 1
497 1 32 ASN HA 1 33 THR H . . 3.450 2.228 2.074 2.351 . 0 0 "[ . 1 . 2]" 1
498 1 32 ASN HA 1 38 LEU HA . . 5.500 2.808 2.395 3.243 . 0 0 "[ . 1 . 2]" 1
499 1 32 ASN HA 1 38 LEU QD . . 4.530 2.229 2.011 2.547 . 0 0 "[ . 1 . 2]" 1
500 1 32 ASN HA 1 39 GLN H . . 5.500 3.368 2.967 3.791 . 0 0 "[ . 1 . 2]" 1
501 1 32 ASN HB2 1 33 THR H . . 5.500 3.818 3.029 4.400 . 0 0 "[ . 1 . 2]" 1
502 1 32 ASN HB2 1 38 LEU QD . . 4.850 3.670 2.864 4.383 . 0 0 "[ . 1 . 2]" 1
503 1 32 ASN HB3 1 33 THR H . . 5.300 3.832 3.363 4.254 . 0 0 "[ . 1 . 2]" 1
504 1 32 ASN HB3 1 38 LEU QD . . 4.720 2.866 2.046 3.913 . 0 0 "[ . 1 . 2]" 1
505 1 33 THR H 1 33 THR MG . . 4.360 3.753 3.652 3.802 . 0 0 "[ . 1 . 2]" 1
506 1 33 THR H 1 36 CYS H . . 5.030 4.505 4.164 4.857 . 0 0 "[ . 1 . 2]" 1
507 1 33 THR H 1 36 CYS HB2 . . 5.500 4.824 4.094 5.598 0.098 17 0 "[ . 1 . 2]" 1
508 1 33 THR H 1 36 CYS HB3 . . 5.500 4.835 3.980 5.532 0.032 12 0 "[ . 1 . 2]" 1
509 1 33 THR H 1 37 ALA H . . 5.500 5.571 5.225 5.637 0.137 17 0 "[ . 1 . 2]" 1
510 1 33 THR H 1 37 ALA HA . . 5.140 5.101 4.336 5.257 0.117 13 0 "[ . 1 . 2]" 1
511 1 33 THR H 1 39 GLN HE21 . . 5.500 3.956 3.399 5.142 . 0 0 "[ . 1 . 2]" 1
512 1 33 THR H 1 39 GLN HE22 . . 5.500 3.854 3.191 4.809 . 0 0 "[ . 1 . 2]" 1
513 1 33 THR HA 1 34 PRO HD3 . . 3.450 2.203 1.939 2.660 . 0 0 "[ . 1 . 2]" 1
514 1 33 THR HB 1 34 PRO HD2 . . 4.410 4.259 4.039 4.439 0.029 6 0 "[ . 1 . 2]" 1
515 1 33 THR HB 1 36 CYS H . . 5.500 2.959 1.993 3.663 . 0 0 "[ . 1 . 2]" 1
516 1 33 THR HB 1 36 CYS HB2 . . 5.170 2.429 1.845 3.332 . 0 0 "[ . 1 . 2]" 1
517 1 33 THR HB 1 36 CYS HB3 . . 4.620 2.700 1.821 3.417 . 0 0 "[ . 1 . 2]" 1
518 1 33 THR HB 1 39 GLN H . . 5.500 4.769 4.411 5.524 0.024 19 0 "[ . 1 . 2]" 1
519 1 33 THR HB 1 39 GLN HE21 . . 5.170 3.603 2.602 4.782 . 0 0 "[ . 1 . 2]" 1
520 1 33 THR HB 1 39 GLN HE22 . . 5.100 2.659 2.222 3.874 . 0 0 "[ . 1 . 2]" 1
521 1 33 THR MG 1 34 PRO HD2 . . 4.040 2.211 1.960 2.416 . 0 0 "[ . 1 . 2]" 1
522 1 33 THR MG 1 34 PRO HD3 . . 3.690 3.231 2.493 3.677 . 0 0 "[ . 1 . 2]" 1
523 1 33 THR MG 1 36 CYS H . . 4.200 2.592 2.071 2.877 . 0 0 "[ . 1 . 2]" 1
524 1 33 THR MG 1 36 CYS HB2 . . 5.500 2.126 1.861 2.554 . 0 0 "[ . 1 . 2]" 1
525 1 33 THR MG 1 36 CYS HB3 . . 5.120 2.946 2.213 3.460 . 0 0 "[ . 1 . 2]" 1
526 1 33 THR MG 1 39 GLN H . . 5.500 5.610 5.408 5.703 0.203 10 0 "[ . 1 . 2]" 1
527 1 33 THR MG 1 39 GLN HE21 . . 5.500 4.351 3.754 4.907 . 0 0 "[ . 1 . 2]" 1
528 1 33 THR MG 1 39 GLN HE22 . . 5.500 3.245 2.503 4.507 . 0 0 "[ . 1 . 2]" 1
529 1 34 PRO HA 1 35 ASN H . . 3.520 3.515 3.412 3.568 0.048 11 0 "[ . 1 . 2]" 1
530 1 34 PRO HA 1 36 CYS H . . 5.080 4.213 3.960 4.832 . 0 0 "[ . 1 . 2]" 1
531 1 34 PRO HB2 1 35 ASN HD21 . . 5.500 2.887 1.998 3.803 . 0 0 "[ . 1 . 2]" 1
532 1 34 PRO HB2 1 35 ASN HD22 . . 5.490 3.337 2.800 4.630 . 0 0 "[ . 1 . 2]" 1
533 1 34 PRO HB3 1 35 ASN H . . 4.570 3.975 3.476 4.216 . 0 0 "[ . 1 . 2]" 1
534 1 34 PRO HB3 1 35 ASN HD21 . . 5.100 4.495 3.698 5.172 0.072 19 0 "[ . 1 . 2]" 1
535 1 34 PRO HB3 1 35 ASN HD22 . . 5.370 4.832 4.132 5.485 0.115 2 0 "[ . 1 . 2]" 1
536 1 34 PRO HD2 1 35 ASN H . . 4.910 2.876 2.140 3.385 . 0 0 "[ . 1 . 2]" 1
537 1 34 PRO HD3 1 35 ASN H . . 5.220 4.038 3.508 4.266 . 0 0 "[ . 1 . 2]" 1
538 1 34 PRO HD3 1 35 ASN HD21 . . 5.280 5.302 4.961 5.381 0.101 20 0 "[ . 1 . 2]" 1
539 1 35 ASN H 1 35 ASN HB2 . . 4.030 2.905 2.445 3.806 . 0 0 "[ . 1 . 2]" 1
540 1 35 ASN H 1 35 ASN HB3 . . 3.780 3.532 2.883 3.778 . 0 0 "[ . 1 . 2]" 1
541 1 35 ASN H 1 35 ASN HD21 . . 5.460 2.716 2.211 3.694 . 0 0 "[ . 1 . 2]" 1
542 1 35 ASN H 1 35 ASN HD22 . . 5.500 3.773 3.055 4.564 . 0 0 "[ . 1 . 2]" 1
543 1 35 ASN H 1 36 CYS H . . 3.500 2.355 2.016 2.623 . 0 0 "[ . 1 . 2]" 1
544 1 35 ASN HA 1 35 ASN HD21 . . 4.870 3.902 2.502 4.321 . 0 0 "[ . 1 . 2]" 1
545 1 35 ASN HB3 1 35 ASN HD21 . . 3.420 3.043 2.120 3.460 0.040 16 0 "[ . 1 . 2]" 1
546 1 36 CYS H 1 36 CYS HB2 . . 3.850 2.775 2.457 3.210 . 0 0 "[ . 1 . 2]" 1
547 1 36 CYS H 1 36 CYS HB3 . . 3.500 3.382 2.873 3.690 0.190 8 0 "[ . 1 . 2]" 1
548 1 36 CYS HA 1 37 ALA H . . 3.300 2.541 2.477 2.596 . 0 0 "[ . 1 . 2]" 1
549 1 36 CYS HB2 1 37 ALA H . . 3.720 3.508 3.282 3.778 0.058 19 0 "[ . 1 . 2]" 1
550 1 36 CYS HB2 1 39 GLN HE21 . . 4.870 4.655 4.325 4.984 0.114 9 0 "[ . 1 . 2]" 1
551 1 36 CYS HB2 1 39 GLN HE22 . . 5.050 3.344 2.749 4.370 . 0 0 "[ . 1 . 2]" 1
552 1 36 CYS HB3 1 37 ALA H . . 4.090 2.485 2.054 3.187 . 0 0 "[ . 1 . 2]" 1
553 1 36 CYS HB3 1 39 GLN HE21 . . 4.910 4.068 2.757 4.893 . 0 0 "[ . 1 . 2]" 1
554 1 36 CYS HB3 1 39 GLN HE22 . . 5.010 2.934 2.028 3.889 . 0 0 "[ . 1 . 2]" 1
555 1 36 CYS HB3 1 39 GLN HG3 . . 5.500 5.154 4.336 5.598 0.098 17 0 "[ . 1 . 2]" 1
556 1 37 ALA H 1 37 ALA MB . . 2.980 2.226 2.186 2.317 . 0 0 "[ . 1 . 2]" 1
557 1 37 ALA H 1 38 LEU H . . 4.880 4.220 2.955 4.517 . 0 0 "[ . 1 . 2]" 1
558 1 37 ALA HA 1 38 LEU H . . 3.470 2.762 2.366 3.516 0.046 18 0 "[ . 1 . 2]" 1
559 1 37 ALA MB 1 38 LEU H . . 3.230 1.982 1.794 2.285 . 0 0 "[ . 1 . 2]" 1
560 1 37 ALA MB 1 39 GLN HE21 . . 4.890 4.474 3.800 4.966 0.076 2 0 "[ . 1 . 2]" 1
561 1 37 ALA MB 1 39 GLN HE22 . . 5.290 4.540 3.208 5.351 0.061 1 0 "[ . 1 . 2]" 1
562 1 38 LEU H 1 38 LEU HB2 . . 4.040 2.697 2.316 3.403 . 0 0 "[ . 1 . 2]" 1
563 1 38 LEU H 1 38 LEU HB3 . . 3.440 2.504 2.313 3.023 . 0 0 "[ . 1 . 2]" 1
564 1 38 LEU H 1 38 LEU MD1 . . 4.840 4.108 3.988 4.270 . 0 0 "[ . 1 . 2]" 1
565 1 38 LEU H 1 38 LEU QD . . 3.960 3.696 3.614 3.837 . 0 0 "[ . 1 . 2]" 1
566 1 38 LEU H 1 38 LEU MD2 . . 4.840 4.196 4.061 4.428 . 0 0 "[ . 1 . 2]" 1
567 1 38 LEU HA 1 38 LEU MD1 . . 3.930 2.981 1.940 3.852 . 0 0 "[ . 1 . 2]" 1
568 1 38 LEU HA 1 38 LEU QD . . 3.440 2.085 1.934 2.193 . 0 0 "[ . 1 . 2]" 1
569 1 38 LEU HA 1 38 LEU MD2 . . 3.930 2.470 1.976 3.887 . 0 0 "[ . 1 . 2]" 1
570 1 38 LEU HA 1 38 LEU HG . . 4.270 3.623 2.727 3.867 . 0 0 "[ . 1 . 2]" 1
571 1 38 LEU HB2 1 38 LEU MD1 . . 3.660 2.988 2.293 3.232 . 0 0 "[ . 1 . 2]" 1
572 1 38 LEU HB2 1 38 LEU MD2 . . 3.660 2.466 2.354 3.194 . 0 0 "[ . 1 . 2]" 1
573 1 38 LEU HB2 1 39 GLN H . . 4.900 4.438 4.306 4.589 . 0 0 "[ . 1 . 2]" 1
574 1 38 LEU HB3 1 38 LEU MD1 . . 3.500 2.506 2.263 3.196 . 0 0 "[ . 1 . 2]" 1
575 1 38 LEU HB3 1 38 LEU MD2 . . 3.500 2.980 2.262 3.212 . 0 0 "[ . 1 . 2]" 1
576 1 38 LEU HB3 1 39 GLN H . . 5.400 4.342 4.053 4.496 . 0 0 "[ . 1 . 2]" 1
577 1 38 LEU QD 1 39 GLN H . . 3.620 2.539 2.037 2.878 . 0 0 "[ . 1 . 2]" 1
578 1 38 LEU QD 1 39 GLN HE21 . . 4.980 4.184 3.560 4.811 . 0 0 "[ . 1 . 2]" 1
579 1 38 LEU QD 1 39 GLN HE22 . . 5.280 5.064 4.534 5.513 0.233 17 0 "[ . 1 . 2]" 1
580 1 38 LEU QD 1 55 PRO HA . . 4.430 3.816 3.379 4.178 . 0 0 "[ . 1 . 2]" 1
581 1 38 LEU QD 1 55 PRO QG . . 3.520 3.128 2.649 3.542 0.022 5 0 "[ . 1 . 2]" 1
582 1 38 LEU MD1 1 39 GLN H . . 4.700 3.100 2.599 4.654 . 0 0 "[ . 1 . 2]" 1
583 1 38 LEU MD2 1 39 GLN H . . 4.700 3.062 2.039 4.782 0.082 20 0 "[ . 1 . 2]" 1
584 1 39 GLN H 1 39 GLN HE21 . . 5.500 2.276 1.787 2.988 . 0 0 "[ . 1 . 2]" 1
585 1 39 GLN H 1 39 GLN HE22 . . 5.500 3.573 2.864 4.571 . 0 0 "[ . 1 . 2]" 1
586 1 39 GLN H 1 39 GLN HG2 . . 4.580 4.012 1.842 4.596 0.016 18 0 "[ . 1 . 2]" 1
587 1 39 GLN H 1 39 GLN HG3 . . 4.440 3.600 2.713 4.160 . 0 0 "[ . 1 . 2]" 1
588 1 39 GLN HB2 1 39 GLN HE21 . . 4.710 2.492 1.661 3.991 . 0 0 "[ . 1 . 2]" 1
589 1 39 GLN HB2 1 39 GLN HE22 . . 5.040 3.703 3.090 5.001 . 0 0 "[ . 1 . 2]" 1
590 1 39 GLN HB2 1 40 ILE H . . 5.370 4.011 2.809 4.336 . 0 0 "[ . 1 . 2]" 1
591 1 39 GLN HB2 1 41 VAL QG . . 5.140 3.833 3.067 4.307 . 0 0 "[ . 1 . 2]" 1
592 1 39 GLN HB3 1 39 GLN HE22 . . 5.090 4.500 3.453 4.912 . 0 0 "[ . 1 . 2]" 1
593 1 39 GLN HB3 1 40 ILE H . . 5.050 3.354 2.866 3.996 . 0 0 "[ . 1 . 2]" 1
594 1 40 ILE H 1 40 ILE MD . . 4.580 3.804 3.674 3.924 . 0 0 "[ . 1 . 2]" 1
595 1 40 ILE H 1 40 ILE HG12 . . 4.690 3.772 3.677 3.920 . 0 0 "[ . 1 . 2]" 1
596 1 40 ILE H 1 40 ILE HG13 . . 5.350 2.577 2.441 2.761 . 0 0 "[ . 1 . 2]" 1
597 1 40 ILE H 1 53 ILE H . . 5.500 3.157 2.970 3.435 . 0 0 "[ . 1 . 2]" 1
598 1 40 ILE HA 1 40 ILE MD . . 4.060 3.862 3.839 3.887 . 0 0 "[ . 1 . 2]" 1
599 1 40 ILE HB 1 40 ILE MD . . 3.380 2.422 2.393 2.444 . 0 0 "[ . 1 . 2]" 1
600 1 40 ILE HB 1 41 VAL H . . 5.500 4.082 3.992 4.226 . 0 0 "[ . 1 . 2]" 1
601 1 40 ILE HB 1 53 ILE H . . 4.560 2.506 2.328 2.661 . 0 0 "[ . 1 . 2]" 1
602 1 40 ILE HB 1 53 ILE HB . . 4.030 2.013 1.887 2.122 . 0 0 "[ . 1 . 2]" 1
603 1 40 ILE HB 1 53 ILE HG12 . . 4.810 4.777 4.578 4.865 0.055 18 0 "[ . 1 . 2]" 1
604 1 40 ILE HB 1 53 ILE HG13 . . 5.070 3.834 3.450 4.050 . 0 0 "[ . 1 . 2]" 1
605 1 40 ILE HB 1 53 ILE MG . . 5.050 3.284 3.043 3.516 . 0 0 "[ . 1 . 2]" 1
606 1 40 ILE HB 1 60 ILE MD . . 5.460 4.361 4.068 4.654 . 0 0 "[ . 1 . 2]" 1
607 1 40 ILE MD 1 40 ILE MG . . 2.400 1.928 1.901 1.966 . 0 0 "[ . 1 . 2]" 1
608 1 40 ILE MD 1 41 VAL H . . 5.500 5.082 4.966 5.241 . 0 0 "[ . 1 . 2]" 1
609 1 40 ILE MD 1 54 ASP HA . . 5.500 4.017 3.739 4.284 . 0 0 "[ . 1 . 2]" 1
610 1 40 ILE MD 1 54 ASP HB2 . . 5.500 5.617 5.562 5.657 0.157 10 0 "[ . 1 . 2]" 1
611 1 40 ILE MD 1 54 ASP HB3 . . 5.480 5.173 5.069 5.250 . 0 0 "[ . 1 . 2]" 1
612 1 40 ILE MD 1 55 PRO HA . . 4.000 2.060 1.904 2.399 . 0 0 "[ . 1 . 2]" 1
613 1 40 ILE MD 1 55 PRO HD3 . . 5.500 3.406 2.990 3.825 . 0 0 "[ . 1 . 2]" 1
614 1 40 ILE MD 1 56 LYS H . . 5.180 4.571 4.293 4.845 . 0 0 "[ . 1 . 2]" 1
615 1 40 ILE MD 1 60 ILE MD . . 4.080 2.293 2.042 2.648 . 0 0 "[ . 1 . 2]" 1
616 1 40 ILE MD 1 63 TYR QD . . 4.420 4.348 4.041 4.455 0.035 11 0 "[ . 1 . 2]" 1
617 1 40 ILE MD 1 63 TYR QE . . 5.500 5.104 3.975 5.392 . 0 0 "[ . 1 . 2]" 1
618 1 40 ILE HG12 1 40 ILE MG . . 3.660 2.428 2.406 2.447 . 0 0 "[ . 1 . 2]" 1
619 1 40 ILE HG12 1 41 VAL H . . 5.500 4.467 4.360 4.538 . 0 0 "[ . 1 . 2]" 1
620 1 40 ILE HG12 1 55 PRO HA . . 5.500 4.554 4.270 5.034 . 0 0 "[ . 1 . 2]" 1
621 1 40 ILE HG13 1 41 VAL H . . 5.500 5.071 5.034 5.119 . 0 0 "[ . 1 . 2]" 1
622 1 40 ILE HG13 1 55 PRO HA . . 5.500 3.872 3.494 4.482 . 0 0 "[ . 1 . 2]" 1
623 1 40 ILE MG 1 41 VAL H . . 4.060 2.614 2.450 2.900 . 0 0 "[ . 1 . 2]" 1
624 1 40 ILE MG 1 53 ILE H . . 4.990 3.221 3.073 3.359 . 0 0 "[ . 1 . 2]" 1
625 1 40 ILE MG 1 55 PRO HA . . 5.500 4.770 4.554 5.062 . 0 0 "[ . 1 . 2]" 1
626 1 40 ILE MG 1 60 ILE MD . . 3.720 2.613 2.321 2.816 . 0 0 "[ . 1 . 2]" 1
627 1 41 VAL H 1 41 VAL HB . . 4.160 2.638 2.545 2.752 . 0 0 "[ . 1 . 2]" 1
628 1 41 VAL H 1 41 VAL QG . . 3.840 2.614 2.487 2.732 . 0 0 "[ . 1 . 2]" 1
629 1 41 VAL H 1 42 ALA H . . 5.500 4.313 4.219 4.377 . 0 0 "[ . 1 . 2]" 1
630 1 41 VAL HA 1 42 ALA H . . 3.210 2.146 2.068 2.239 . 0 0 "[ . 1 . 2]" 1
631 1 41 VAL HA 1 52 CYS HA . . 4.220 2.202 2.031 2.505 . 0 0 "[ . 1 . 2]" 1
632 1 41 VAL HA 1 53 ILE H . . 4.300 3.390 3.176 3.601 . 0 0 "[ . 1 . 2]" 1
633 1 41 VAL HA 1 53 ILE HG12 . . 5.500 5.461 5.191 5.556 0.056 8 0 "[ . 1 . 2]" 1
634 1 41 VAL HA 1 53 ILE HG13 . . 5.500 3.892 3.622 4.136 . 0 0 "[ . 1 . 2]" 1
635 1 41 VAL HB 1 42 ALA H . . 4.030 4.051 4.006 4.078 0.048 5 0 "[ . 1 . 2]" 1
636 1 41 VAL HB 1 52 CYS HA . . 5.500 5.149 4.813 5.443 . 0 0 "[ . 1 . 2]" 1
637 1 41 VAL QG 1 42 ALA H . . 3.680 2.556 2.449 2.702 . 0 0 "[ . 1 . 2]" 1
638 1 41 VAL QG 1 50 GLN HA . . 4.930 4.121 3.897 4.271 . 0 0 "[ . 1 . 2]" 1
639 1 41 VAL QG 1 50 GLN HB2 . . 4.200 4.267 4.223 4.316 0.116 19 0 "[ . 1 . 2]" 1
640 1 41 VAL QG 1 50 GLN HE21 . . 4.170 2.847 1.743 4.166 . 0 0 "[ . 1 . 2]" 1
641 1 41 VAL QG 1 50 GLN HE22 . . 4.460 3.256 2.792 4.056 . 0 0 "[ . 1 . 2]" 1
642 1 41 VAL QG 1 50 GLN HG2 . . 4.230 2.335 2.056 2.793 . 0 0 "[ . 1 . 2]" 1
643 1 41 VAL QG 1 50 GLN HG3 . . 4.160 2.577 2.248 2.770 . 0 0 "[ . 1 . 2]" 1
644 1 41 VAL QG 1 52 CYS HA . . 4.590 3.139 2.721 3.533 . 0 0 "[ . 1 . 2]" 1
645 1 41 VAL QG 1 52 CYS HB2 . . 5.500 4.697 4.327 4.980 . 0 0 "[ . 1 . 2]" 1
646 1 41 VAL QG 1 52 CYS HB3 . . 5.500 3.732 3.336 3.998 . 0 0 "[ . 1 . 2]" 1
647 1 41 VAL QG 1 53 ILE H . . 4.600 4.193 3.867 4.513 . 0 0 "[ . 1 . 2]" 1
648 1 42 ALA H 1 42 ALA MB . . 3.590 2.523 2.400 2.630 . 0 0 "[ . 1 . 2]" 1
649 1 42 ALA H 1 50 GLN HA . . 5.500 4.432 4.239 4.641 . 0 0 "[ . 1 . 2]" 1
650 1 42 ALA H 1 50 GLN HG2 . . 5.500 4.064 3.583 5.442 . 0 0 "[ . 1 . 2]" 1
651 1 42 ALA H 1 50 GLN HG3 . . 5.300 3.842 3.270 4.340 . 0 0 "[ . 1 . 2]" 1
652 1 42 ALA H 1 51 VAL H . . 3.890 3.108 2.895 3.240 . 0 0 "[ . 1 . 2]" 1
653 1 42 ALA H 1 51 VAL MG2 . . 4.970 3.387 3.023 3.631 . 0 0 "[ . 1 . 2]" 1
654 1 42 ALA H 1 52 CYS HA . . 5.020 3.167 2.781 3.433 . 0 0 "[ . 1 . 2]" 1
655 1 42 ALA H 1 53 ILE H . . 5.350 4.433 4.142 4.708 . 0 0 "[ . 1 . 2]" 1
656 1 42 ALA H 1 53 ILE MD . . 4.780 4.168 3.818 4.529 . 0 0 "[ . 1 . 2]" 1
657 1 42 ALA H 1 53 ILE HG12 . . 5.500 4.866 4.725 5.052 . 0 0 "[ . 1 . 2]" 1
658 1 42 ALA H 1 53 ILE HG13 . . 5.500 3.465 3.209 3.735 . 0 0 "[ . 1 . 2]" 1
659 1 42 ALA HA 1 43 ARG H . . 3.430 2.194 2.118 2.284 . 0 0 "[ . 1 . 2]" 1
660 1 42 ALA HA 1 53 ILE MD . . 5.500 4.113 3.862 4.224 . 0 0 "[ . 1 . 2]" 1
661 1 42 ALA MB 1 43 ARG H . . 3.670 2.673 2.533 2.896 . 0 0 "[ . 1 . 2]" 1
662 1 42 ALA MB 1 51 VAL H . . 4.520 3.690 3.493 3.888 . 0 0 "[ . 1 . 2]" 1
663 1 42 ALA MB 1 51 VAL HB . . 5.210 5.109 4.537 5.280 0.070 12 0 "[ . 1 . 2]" 1
664 1 42 ALA MB 1 51 VAL MG2 . . 3.710 2.717 2.232 2.946 . 0 0 "[ . 1 . 2]" 1
665 1 42 ALA MB 1 53 ILE MD . . 3.240 1.893 1.818 1.941 . 0 0 "[ . 1 . 2]" 1
666 1 42 ALA MB 1 53 ILE HG13 . . 3.020 2.427 2.118 2.798 . 0 0 "[ . 1 . 2]" 1
667 1 42 ALA MB 1 59 TRP HH2 . . 4.820 3.892 3.445 4.315 . 0 0 "[ . 1 . 2]" 1
668 1 42 ALA MB 1 59 TRP HZ2 . . 4.900 4.525 4.240 4.899 . 0 0 "[ . 1 . 2]" 1
669 1 43 ARG H 1 43 ARG HB2 . . 3.850 2.892 2.740 3.075 . 0 0 "[ . 1 . 2]" 1
670 1 43 ARG H 1 43 ARG HB3 . . 3.820 2.824 2.730 2.950 . 0 0 "[ . 1 . 2]" 1
671 1 43 ARG H 1 43 ARG QD . . 5.500 4.925 4.572 5.206 . 0 0 "[ . 1 . 2]" 1
672 1 43 ARG H 1 43 ARG HG3 . . 5.120 4.577 4.518 4.631 . 0 0 "[ . 1 . 2]" 1
673 1 43 ARG H 1 44 LEU H . . 5.020 4.322 4.218 4.427 . 0 0 "[ . 1 . 2]" 1
674 1 43 ARG HA 1 43 ARG QD . . 3.940 3.802 3.715 3.886 . 0 0 "[ . 1 . 2]" 1
675 1 43 ARG HA 1 44 LEU H . . 3.450 2.117 2.038 2.251 . 0 0 "[ . 1 . 2]" 1
676 1 43 ARG HA 1 50 GLN HA . . 3.080 1.958 1.845 2.126 . 0 0 "[ . 1 . 2]" 1
677 1 43 ARG HA 1 50 GLN HG2 . . 5.030 4.526 4.148 5.195 0.165 18 0 "[ . 1 . 2]" 1
678 1 43 ARG HA 1 50 GLN HG3 . . 4.880 3.232 2.730 3.849 . 0 0 "[ . 1 . 2]" 1
679 1 43 ARG HA 1 51 VAL H . . 4.120 3.018 2.784 3.284 . 0 0 "[ . 1 . 2]" 1
680 1 43 ARG HB2 1 44 LEU H . . 5.500 4.259 4.146 4.443 . 0 0 "[ . 1 . 2]" 1
681 1 43 ARG HB2 1 48 ASN HA . . 5.500 5.637 5.385 5.751 0.251 3 0 "[ . 1 . 2]" 1
682 1 43 ARG HB2 1 50 GLN HA . . 5.020 3.596 3.410 3.818 . 0 0 "[ . 1 . 2]" 1
683 1 43 ARG HB3 1 43 ARG QD . . 3.280 2.951 2.383 3.264 . 0 0 "[ . 1 . 2]" 1
684 1 43 ARG HB3 1 44 LEU H . . 5.500 3.802 3.642 3.987 . 0 0 "[ . 1 . 2]" 1
685 1 43 ARG HB3 1 48 ASN HA . . 5.500 4.772 4.520 4.953 . 0 0 "[ . 1 . 2]" 1
686 1 43 ARG HB3 1 50 GLN HA . . 5.320 4.512 4.368 4.695 . 0 0 "[ . 1 . 2]" 1
687 1 43 ARG QD 1 44 LEU H . . 4.510 4.473 4.225 4.588 0.078 19 0 "[ . 1 . 2]" 1
688 1 43 ARG QD 1 48 ASN HA . . 4.570 3.783 2.896 4.220 . 0 0 "[ . 1 . 2]" 1
689 1 43 ARG QD 1 48 ASN HD21 . . 5.500 4.452 3.461 5.500 0.000 8 0 "[ . 1 . 2]" 1
690 1 43 ARG QD 1 48 ASN HD22 . . 5.220 3.883 3.040 5.385 0.165 19 0 "[ . 1 . 2]" 1
691 1 43 ARG QD 1 49 ARG H . . 5.500 5.340 4.943 5.671 0.171 8 0 "[ . 1 . 2]" 1
692 1 43 ARG QD 1 50 GLN H . . 5.500 4.375 3.955 4.962 . 0 0 "[ . 1 . 2]" 1
693 1 43 ARG QD 1 50 GLN HA . . 4.030 3.932 3.666 4.097 0.067 8 0 "[ . 1 . 2]" 1
694 1 43 ARG QD 1 50 GLN HB2 . . 5.160 2.663 2.125 3.139 . 0 0 "[ . 1 . 2]" 1
695 1 43 ARG QD 1 50 GLN HB3 . . 4.740 4.213 3.326 4.662 . 0 0 "[ . 1 . 2]" 1
696 1 43 ARG QD 1 50 GLN HG2 . . 4.960 4.945 4.572 5.105 0.145 19 0 "[ . 1 . 2]" 1
697 1 43 ARG QD 1 50 GLN HG3 . . 4.820 3.781 3.360 4.951 0.131 18 0 "[ . 1 . 2]" 1
698 1 43 ARG HG2 1 44 LEU H . . 4.860 2.919 2.524 3.284 . 0 0 "[ . 1 . 2]" 1
699 1 43 ARG HG2 1 50 GLN HA . . 4.550 4.175 3.834 4.561 0.011 10 0 "[ . 1 . 2]" 1
700 1 43 ARG HG3 1 44 LEU H . . 3.920 2.829 2.531 3.177 . 0 0 "[ . 1 . 2]" 1
701 1 43 ARG HG3 1 50 GLN HA . . 4.650 2.619 2.367 2.942 . 0 0 "[ . 1 . 2]" 1
702 1 43 ARG HG3 1 50 GLN HB2 . . 4.660 2.692 2.160 3.075 . 0 0 "[ . 1 . 2]" 1
703 1 43 ARG HG3 1 50 GLN HG2 . . 5.030 4.958 4.545 5.094 0.064 10 0 "[ . 1 . 2]" 1
704 1 43 ARG HG3 1 50 GLN HG3 . . 4.800 3.728 3.265 4.397 . 0 0 "[ . 1 . 2]" 1
705 1 44 LEU H 1 44 LEU HB3 . . 4.000 3.549 2.689 3.639 . 0 0 "[ . 1 . 2]" 1
706 1 44 LEU H 1 44 LEU MD1 . . 4.560 3.690 3.599 3.923 . 0 0 "[ . 1 . 2]" 1
707 1 44 LEU H 1 44 LEU MD2 . . 4.120 3.223 2.927 4.139 0.019 19 0 "[ . 1 . 2]" 1
708 1 44 LEU H 1 44 LEU HG . . 3.500 2.369 2.180 3.761 0.261 19 0 "[ . 1 . 2]" 1
709 1 44 LEU H 1 49 ARG H . . 4.210 3.527 3.132 4.164 . 0 0 "[ . 1 . 2]" 1
710 1 44 LEU H 1 49 ARG HB2 . . 5.500 4.252 3.807 4.544 . 0 0 "[ . 1 . 2]" 1
711 1 44 LEU H 1 49 ARG HB3 . . 5.500 4.955 4.341 5.333 . 0 0 "[ . 1 . 2]" 1
712 1 44 LEU H 1 50 GLN HA . . 3.430 3.299 3.140 3.454 0.024 5 0 "[ . 1 . 2]" 1
713 1 44 LEU HA 1 44 LEU MD2 . . 3.330 2.112 2.043 2.460 . 0 0 "[ . 1 . 2]" 1
714 1 44 LEU HA 1 45 LYS H . . 3.140 2.217 2.116 2.413 . 0 0 "[ . 1 . 2]" 1
715 1 44 LEU HA 1 46 ASN H . . 4.570 4.479 4.284 4.653 0.083 13 0 "[ . 1 . 2]" 1
716 1 44 LEU HB2 1 44 LEU MD1 . . 3.390 2.358 2.239 2.414 . 0 0 "[ . 1 . 2]" 1
717 1 44 LEU HB2 1 45 LYS H . . 4.760 3.889 3.644 4.330 . 0 0 "[ . 1 . 2]" 1
718 1 44 LEU HB2 1 46 ASN H . . 5.370 4.558 4.239 5.502 0.132 19 0 "[ . 1 . 2]" 1
719 1 44 LEU HB2 1 49 ARG H . . 5.500 2.624 2.412 4.152 . 0 0 "[ . 1 . 2]" 1
720 1 44 LEU HB3 1 45 LYS H . . 4.560 2.938 2.667 3.804 . 0 0 "[ . 1 . 2]" 1
721 1 44 LEU HB3 1 46 ASN H . . 4.460 3.561 3.297 4.129 . 0 0 "[ . 1 . 2]" 1
722 1 44 LEU HB3 1 47 ASN H . . 4.570 2.757 2.555 3.059 . 0 0 "[ . 1 . 2]" 1
723 1 44 LEU HB3 1 47 ASN HD21 . . 5.460 4.609 4.126 5.469 0.009 4 0 "[ . 1 . 2]" 1
724 1 44 LEU HB3 1 48 ASN H . . 5.190 3.270 2.765 3.694 . 0 0 "[ . 1 . 2]" 1
725 1 44 LEU HB3 1 49 ARG H . . 4.170 4.151 3.326 4.278 0.108 16 0 "[ . 1 . 2]" 1
726 1 44 LEU HB3 1 49 ARG HB2 . . 5.180 4.937 3.752 5.241 0.061 12 0 "[ . 1 . 2]" 1
727 1 44 LEU MD1 1 45 LYS H . . 4.830 4.738 4.552 4.853 0.023 9 0 "[ . 1 . 2]" 1
728 1 44 LEU MD1 1 46 ASN H . . 5.110 5.023 4.527 5.130 0.020 8 0 "[ . 1 . 2]" 1
729 1 44 LEU MD1 1 47 ASN H . . 5.500 3.736 3.459 3.910 . 0 0 "[ . 1 . 2]" 1
730 1 44 LEU MD1 1 47 ASN HD21 . . 4.470 2.227 1.602 4.482 0.012 19 0 "[ . 1 . 2]" 1
731 1 44 LEU MD1 1 47 ASN HD22 . . 4.520 3.511 2.984 4.455 . 0 0 "[ . 1 . 2]" 1
732 1 44 LEU MD1 1 49 ARG H . . 4.480 3.267 2.935 4.206 . 0 0 "[ . 1 . 2]" 1
733 1 44 LEU MD1 1 49 ARG HB2 . . 4.190 2.643 2.087 3.716 . 0 0 "[ . 1 . 2]" 1
734 1 44 LEU MD1 1 49 ARG HB3 . . 4.320 3.917 3.145 4.359 0.039 19 0 "[ . 1 . 2]" 1
735 1 44 LEU MD1 1 49 ARG HD2 . . 5.070 4.531 3.194 5.130 0.060 9 0 "[ . 1 . 2]" 1
736 1 44 LEU MD1 1 49 ARG HD3 . . 5.390 4.457 3.297 5.398 0.008 14 0 "[ . 1 . 2]" 1
737 1 44 LEU MD2 1 45 LYS H . . 3.930 3.562 1.976 3.763 . 0 0 "[ . 1 . 2]" 1
738 1 44 LEU MD2 1 49 ARG H . . 4.990 5.013 4.879 5.054 0.064 1 0 "[ . 1 . 2]" 1
739 1 44 LEU HG 1 51 VAL MG2 . . 4.600 2.894 2.515 4.235 . 0 0 "[ . 1 . 2]" 1
740 1 45 LYS H 1 45 LYS HB2 . . 3.620 2.484 2.265 3.646 0.026 11 0 "[ . 1 . 2]" 1
741 1 45 LYS H 1 45 LYS HB3 . . 4.090 3.528 2.719 3.663 . 0 0 "[ . 1 . 2]" 1
742 1 45 LYS H 1 45 LYS QD . . 5.360 3.817 3.487 4.357 . 0 0 "[ . 1 . 2]" 1
743 1 45 LYS H 1 45 LYS HE2 . . 5.360 4.889 4.091 5.409 0.049 11 0 "[ . 1 . 2]" 1
744 1 45 LYS H 1 45 LYS HE3 . . 5.360 5.264 4.422 5.460 0.100 14 0 "[ . 1 . 2]" 1
745 1 45 LYS H 1 45 LYS HG2 . . 3.860 3.393 2.042 3.694 . 0 0 "[ . 1 . 2]" 1
746 1 45 LYS H 1 45 LYS QG . . 3.350 2.244 2.021 2.403 . 0 0 "[ . 1 . 2]" 1
747 1 45 LYS H 1 45 LYS HG3 . . 3.860 2.335 2.086 3.249 . 0 0 "[ . 1 . 2]" 1
748 1 45 LYS HA 1 45 LYS QE . . 5.340 3.971 3.798 4.436 . 0 0 "[ . 1 . 2]" 1
749 1 45 LYS HA 1 45 LYS QG . . 3.580 2.480 2.312 3.341 . 0 0 "[ . 1 . 2]" 1
750 1 45 LYS HA 1 46 ASN H . . 3.560 3.544 3.510 3.568 0.008 20 0 "[ . 1 . 2]" 1
751 1 45 LYS HA 1 48 ASN H . . 5.270 4.046 3.553 4.377 . 0 0 "[ . 1 . 2]" 1
752 1 45 LYS HB2 1 45 LYS HE2 . . 5.040 2.833 2.563 2.975 . 0 0 "[ . 1 . 2]" 1
753 1 45 LYS HB2 1 45 LYS QE . . 4.420 2.641 1.947 2.897 . 0 0 "[ . 1 . 2]" 1
754 1 45 LYS HB2 1 45 LYS HE3 . . 5.040 3.523 1.989 3.987 . 0 0 "[ . 1 . 2]" 1
755 1 45 LYS HB2 1 46 ASN H . . 3.950 2.324 2.067 3.665 . 0 0 "[ . 1 . 2]" 1
756 1 45 LYS HB3 1 45 LYS HE2 . . 3.830 2.366 1.989 3.840 0.010 11 0 "[ . 1 . 2]" 1
757 1 45 LYS HB3 1 45 LYS QE . . 3.360 2.092 1.939 2.703 . 0 0 "[ . 1 . 2]" 1
758 1 45 LYS HB3 1 45 LYS HE3 . . 3.830 2.749 2.322 2.898 . 0 0 "[ . 1 . 2]" 1
759 1 45 LYS HB3 1 46 ASN H . . 3.670 3.322 3.089 3.817 0.147 11 0 "[ . 1 . 2]" 1
760 1 45 LYS QE 1 45 LYS QG . . 3.280 2.308 2.197 2.470 . 0 0 "[ . 1 . 2]" 1
761 1 45 LYS QG 1 46 ASN H . . 4.530 3.831 2.097 4.036 . 0 0 "[ . 1 . 2]" 1
762 1 46 ASN H 1 46 ASN HB2 . . 3.700 2.708 2.440 3.732 0.032 11 0 "[ . 1 . 2]" 1
763 1 46 ASN H 1 46 ASN HB3 . . 3.700 2.606 2.374 3.615 . 0 0 "[ . 1 . 2]" 1
764 1 46 ASN H 1 47 ASN H . . 3.720 2.470 2.333 2.576 . 0 0 "[ . 1 . 2]" 1
765 1 46 ASN H 1 48 ASN H . . 4.680 3.779 3.572 3.950 . 0 0 "[ . 1 . 2]" 1
766 1 47 ASN H 1 47 ASN HB2 . . 4.170 2.719 2.555 2.851 . 0 0 "[ . 1 . 2]" 1
767 1 47 ASN H 1 48 ASN H . . 3.210 2.294 2.153 2.456 . 0 0 "[ . 1 . 2]" 1
768 1 47 ASN HB3 1 48 ASN H . . 4.650 3.066 2.776 3.350 . 0 0 "[ . 1 . 2]" 1
769 1 47 ASN HD21 1 49 ARG H . . 4.910 3.663 2.445 4.251 . 0 0 "[ . 1 . 2]" 1
770 1 47 ASN HD21 1 49 ARG HB3 . . 4.650 4.373 3.784 4.910 0.260 19 0 "[ . 1 . 2]" 1
771 1 47 ASN HD21 1 49 ARG HD2 . . 4.890 3.790 2.688 4.994 0.104 10 0 "[ . 1 . 2]" 1
772 1 47 ASN HD21 1 49 ARG HD3 . . 4.770 3.921 2.643 4.894 0.124 9 0 "[ . 1 . 2]" 1
773 1 47 ASN HD21 1 49 ARG QG . . 4.940 3.305 2.013 4.295 . 0 0 "[ . 1 . 2]" 1
774 1 47 ASN HD22 1 49 ARG H . . 5.500 4.251 3.586 4.810 . 0 0 "[ . 1 . 2]" 1
775 1 47 ASN HD22 1 49 ARG HB2 . . 5.500 3.246 2.657 4.201 . 0 0 "[ . 1 . 2]" 1
776 1 47 ASN HD22 1 49 ARG HB3 . . 4.690 4.321 3.753 4.822 0.132 10 0 "[ . 1 . 2]" 1
777 1 47 ASN HD22 1 49 ARG HD2 . . 5.030 2.744 1.644 4.434 . 0 0 "[ . 1 . 2]" 1
778 1 47 ASN HD22 1 49 ARG HD3 . . 5.030 3.041 1.842 4.632 . 0 0 "[ . 1 . 2]" 1
779 1 47 ASN HD22 1 49 ARG QG . . 5.270 2.802 2.070 3.705 . 0 0 "[ . 1 . 2]" 1
780 1 48 ASN H 1 48 ASN HB2 . . 4.150 3.169 3.066 3.467 . 0 0 "[ . 1 . 2]" 1
781 1 48 ASN H 1 48 ASN QB . . 3.570 2.987 2.907 3.292 . 0 0 "[ . 1 . 2]" 1
782 1 48 ASN H 1 48 ASN HB3 . . 4.150 3.659 3.553 4.102 . 0 0 "[ . 1 . 2]" 1
783 1 48 ASN QB 1 48 ASN HD22 . . 3.570 3.291 3.164 3.459 . 0 0 "[ . 1 . 2]" 1
784 1 49 ARG H 1 49 ARG HB2 . . 3.200 2.259 1.794 2.482 . 0 0 "[ . 1 . 2]" 1
785 1 49 ARG H 1 49 ARG HB3 . . 3.990 3.501 3.219 3.670 . 0 0 "[ . 1 . 2]" 1
786 1 49 ARG H 1 49 ARG HD2 . . 5.030 4.085 2.720 5.080 0.050 6 0 "[ . 1 . 2]" 1
787 1 49 ARG H 1 49 ARG HD3 . . 4.240 4.093 2.302 4.507 0.267 11 0 "[ . 1 . 2]" 1
788 1 49 ARG H 1 49 ARG QG . . 3.370 2.731 2.173 3.580 0.210 14 0 "[ . 1 . 2]" 1
789 1 49 ARG H 1 50 GLN H . . 4.760 4.444 4.304 4.550 . 0 0 "[ . 1 . 2]" 1
790 1 49 ARG HA 1 49 ARG HD3 . . 5.000 3.848 2.046 4.441 . 0 0 "[ . 1 . 2]" 1
791 1 49 ARG HA 1 49 ARG QG . . 3.640 2.414 2.238 2.849 . 0 0 "[ . 1 . 2]" 1
792 1 49 ARG HA 1 50 GLN H . . 3.130 2.140 1.933 2.311 . 0 0 "[ . 1 . 2]" 1
793 1 49 ARG HB2 1 50 GLN H . . 4.090 3.933 3.634 4.181 0.091 19 0 "[ . 1 . 2]" 1
794 1 49 ARG HB3 1 49 ARG HD2 . . 4.130 3.271 2.356 3.782 . 0 0 "[ . 1 . 2]" 1
795 1 49 ARG HB3 1 50 GLN H . . 4.600 2.820 2.427 3.435 . 0 0 "[ . 1 . 2]" 1
796 1 49 ARG HD3 1 50 GLN H . . 4.950 4.915 3.564 5.175 0.225 8 0 "[ . 1 . 2]" 1
797 1 49 ARG QG 1 50 GLN H . . 3.890 3.710 2.916 4.195 0.305 9 0 "[ . 1 . 2]" 1
798 1 50 GLN H 1 50 GLN HB2 . . 3.980 2.781 2.505 3.055 . 0 0 "[ . 1 . 2]" 1
799 1 50 GLN H 1 50 GLN HB3 . . 3.500 2.484 2.316 2.681 . 0 0 "[ . 1 . 2]" 1
800 1 50 GLN H 1 50 GLN HG2 . . 4.640 4.299 4.143 4.514 . 0 0 "[ . 1 . 2]" 1
801 1 50 GLN H 1 50 GLN HG3 . . 4.190 4.337 4.252 4.376 0.186 14 0 "[ . 1 . 2]" 1
802 1 50 GLN H 1 51 VAL H . . 4.870 4.256 4.119 4.375 . 0 0 "[ . 1 . 2]" 1
803 1 50 GLN HA 1 51 VAL H . . 3.080 2.097 1.990 2.192 . 0 0 "[ . 1 . 2]" 1
804 1 50 GLN HB2 1 50 GLN HG2 . . 2.880 2.918 2.665 2.945 0.065 9 0 "[ . 1 . 2]" 1
805 1 50 GLN HB2 1 51 VAL H . . 4.660 4.283 4.114 4.398 . 0 0 "[ . 1 . 2]" 1
806 1 50 GLN HB3 1 50 GLN HE21 . . 4.700 2.966 1.794 4.231 . 0 0 "[ . 1 . 2]" 1
807 1 50 GLN HB3 1 50 GLN HE22 . . 5.160 4.003 3.404 5.146 . 0 0 "[ . 1 . 2]" 1
808 1 50 GLN HB3 1 51 VAL H . . 4.380 4.219 4.133 4.302 . 0 0 "[ . 1 . 2]" 1
809 1 50 GLN HG2 1 51 VAL H . . 4.780 3.354 3.051 4.638 . 0 0 "[ . 1 . 2]" 1
810 1 50 GLN HG3 1 51 VAL H . . 4.160 3.227 2.902 3.620 . 0 0 "[ . 1 . 2]" 1
811 1 51 VAL H 1 51 VAL HB . . 4.020 3.786 3.723 3.856 . 0 0 "[ . 1 . 2]" 1
812 1 51 VAL H 1 51 VAL MG1 . . 3.870 2.886 2.652 2.973 . 0 0 "[ . 1 . 2]" 1
813 1 51 VAL H 1 51 VAL MG2 . . 3.610 2.169 2.055 2.272 . 0 0 "[ . 1 . 2]" 1
814 1 51 VAL HA 1 51 VAL MG1 . . 3.480 2.379 2.340 2.418 . 0 0 "[ . 1 . 2]" 1
815 1 51 VAL HA 1 52 CYS H . . 3.550 2.496 2.211 2.648 . 0 0 "[ . 1 . 2]" 1
816 1 51 VAL HB 1 52 CYS H . . 3.620 2.201 1.921 2.717 . 0 0 "[ . 1 . 2]" 1
817 1 51 VAL MG1 1 52 CYS H . . 4.450 3.617 3.486 3.770 . 0 0 "[ . 1 . 2]" 1
818 1 51 VAL MG2 1 52 CYS H . . 4.600 3.167 2.821 3.691 . 0 0 "[ . 1 . 2]" 1
819 1 52 CYS H 1 52 CYS HB2 . . 4.140 2.666 2.534 2.810 . 0 0 "[ . 1 . 2]" 1
820 1 52 CYS HB2 1 53 ILE H . . 5.000 3.674 3.524 3.809 . 0 0 "[ . 1 . 2]" 1
821 1 52 CYS HB3 1 53 ILE H . . 4.520 2.714 2.459 2.992 . 0 0 "[ . 1 . 2]" 1
822 1 53 ILE H 1 53 ILE HB . . 3.940 2.645 2.550 2.750 . 0 0 "[ . 1 . 2]" 1
823 1 53 ILE H 1 53 ILE MD . . 5.400 4.146 3.950 4.278 . 0 0 "[ . 1 . 2]" 1
824 1 53 ILE H 1 53 ILE HG12 . . 4.630 3.715 3.480 3.898 . 0 0 "[ . 1 . 2]" 1
825 1 53 ILE H 1 53 ILE HG13 . . 4.070 2.810 2.533 3.031 . 0 0 "[ . 1 . 2]" 1
826 1 53 ILE H 1 53 ILE MG . . 3.880 3.829 3.783 3.872 . 0 0 "[ . 1 . 2]" 1
827 1 53 ILE HA 1 53 ILE MD . . 4.280 3.756 3.713 3.791 . 0 0 "[ . 1 . 2]" 1
828 1 53 ILE HA 1 53 ILE MG . . 3.700 2.383 2.300 2.479 . 0 0 "[ . 1 . 2]" 1
829 1 53 ILE HA 1 54 ASP H . . 3.250 2.146 2.025 2.197 . 0 0 "[ . 1 . 2]" 1
830 1 53 ILE HB 1 54 ASP H . . 4.620 3.920 3.841 3.998 . 0 0 "[ . 1 . 2]" 1
831 1 53 ILE HB 1 60 ILE MD . . 5.060 3.469 3.123 3.726 . 0 0 "[ . 1 . 2]" 1
832 1 53 ILE HB 1 60 ILE HG13 . . 5.500 4.111 3.795 4.340 . 0 0 "[ . 1 . 2]" 1
833 1 53 ILE MD 1 54 ASP H . . 5.490 4.668 4.537 4.739 . 0 0 "[ . 1 . 2]" 1
834 1 53 ILE MD 1 59 TRP HH2 . . 3.890 2.750 2.405 3.116 . 0 0 "[ . 1 . 2]" 1
835 1 53 ILE MD 1 59 TRP HZ2 . . 3.930 2.322 2.016 2.645 . 0 0 "[ . 1 . 2]" 1
836 1 53 ILE MD 1 60 ILE MD . . 3.860 2.428 2.199 2.644 . 0 0 "[ . 1 . 2]" 1
837 1 53 ILE HG12 1 53 ILE MG . . 3.730 2.474 2.432 2.522 . 0 0 "[ . 1 . 2]" 1
838 1 53 ILE HG12 1 54 ASP H . . 5.130 4.119 3.806 4.310 . 0 0 "[ . 1 . 2]" 1
839 1 53 ILE HG12 1 60 ILE MD . . 5.500 4.599 4.403 4.789 . 0 0 "[ . 1 . 2]" 1
840 1 53 ILE HG12 1 60 ILE HG13 . . 5.500 5.463 5.182 5.551 0.051 12 0 "[ . 1 . 2]" 1
841 1 53 ILE HG13 1 54 ASP H . . 5.500 4.964 4.781 5.034 . 0 0 "[ . 1 . 2]" 1
842 1 53 ILE HG13 1 60 ILE MD . . 5.500 4.614 4.329 4.849 . 0 0 "[ . 1 . 2]" 1
843 1 53 ILE MG 1 54 ASP H . . 3.590 2.265 2.217 2.346 . 0 0 "[ . 1 . 2]" 1
844 1 53 ILE MG 1 54 ASP HA . . 5.470 3.882 3.815 3.952 . 0 0 "[ . 1 . 2]" 1
845 1 53 ILE MG 1 55 PRO HA . . 5.370 3.962 3.792 4.213 . 0 0 "[ . 1 . 2]" 1
846 1 53 ILE MG 1 57 LEU H . . 4.660 4.050 3.890 4.186 . 0 0 "[ . 1 . 2]" 1
847 1 53 ILE MG 1 57 LEU HB2 . . 3.510 3.231 3.105 3.431 . 0 0 "[ . 1 . 2]" 1
848 1 53 ILE MG 1 59 TRP HH2 . . 5.400 4.154 3.772 4.450 . 0 0 "[ . 1 . 2]" 1
849 1 53 ILE MG 1 59 TRP HZ2 . . 4.910 3.332 2.968 3.752 . 0 0 "[ . 1 . 2]" 1
850 1 53 ILE MG 1 60 ILE MD . . 3.690 2.037 1.921 2.184 . 0 0 "[ . 1 . 2]" 1
851 1 53 ILE MG 1 60 ILE HG13 . . 4.270 2.093 1.950 2.174 . 0 0 "[ . 1 . 2]" 1
852 1 54 ASP H 1 54 ASP HB2 . . 3.580 2.548 2.428 2.748 . 0 0 "[ . 1 . 2]" 1
853 1 54 ASP H 1 54 ASP HB3 . . 3.570 2.365 2.248 2.533 . 0 0 "[ . 1 . 2]" 1
854 1 54 ASP H 1 55 PRO HD2 . . 5.100 4.827 4.724 4.891 . 0 0 "[ . 1 . 2]" 1
855 1 54 ASP H 1 55 PRO HD3 . . 5.500 4.828 4.649 4.970 . 0 0 "[ . 1 . 2]" 1
856 1 54 ASP H 1 57 LEU MD1 . . 3.990 3.107 2.852 3.219 . 0 0 "[ . 1 . 2]" 1
857 1 54 ASP H 1 57 LEU HG . . 4.380 3.526 3.176 3.813 . 0 0 "[ . 1 . 2]" 1
858 1 54 ASP HA 1 55 PRO HD2 . . 3.790 2.132 2.015 2.217 . 0 0 "[ . 1 . 2]" 1
859 1 54 ASP HA 1 56 LYS H . . 5.260 3.874 3.748 4.057 . 0 0 "[ . 1 . 2]" 1
860 1 54 ASP HA 1 57 LEU H . . 5.500 5.152 4.971 5.273 . 0 0 "[ . 1 . 2]" 1
861 1 54 ASP HB2 1 55 PRO HD2 . . 5.500 3.798 3.659 3.985 . 0 0 "[ . 1 . 2]" 1
862 1 54 ASP HB2 1 56 LYS H . . 5.480 4.425 4.310 4.663 . 0 0 "[ . 1 . 2]" 1
863 1 54 ASP HB2 1 57 LEU H . . 5.440 5.317 5.001 5.455 0.015 1 0 "[ . 1 . 2]" 1
864 1 54 ASP HB2 1 57 LEU MD1 . . 4.620 4.602 4.191 4.678 0.058 20 0 "[ . 1 . 2]" 1
865 1 54 ASP HB2 1 57 LEU HG . . 4.670 4.255 3.835 4.513 . 0 0 "[ . 1 . 2]" 1
866 1 54 ASP HB3 1 55 PRO HD2 . . 5.500 4.196 3.985 4.404 . 0 0 "[ . 1 . 2]" 1
867 1 54 ASP HB3 1 56 LYS H . . 5.210 3.486 3.110 3.915 . 0 0 "[ . 1 . 2]" 1
868 1 54 ASP HB3 1 57 LEU H . . 4.780 3.754 3.531 3.886 . 0 0 "[ . 1 . 2]" 1
869 1 54 ASP HB3 1 57 LEU HA . . 5.500 4.970 4.741 5.267 . 0 0 "[ . 1 . 2]" 1
870 1 54 ASP HB3 1 57 LEU HB2 . . 5.500 4.498 4.213 4.682 . 0 0 "[ . 1 . 2]" 1
871 1 54 ASP HB3 1 57 LEU HB3 . . 5.500 5.498 5.100 5.658 0.158 4 0 "[ . 1 . 2]" 1
872 1 54 ASP HB3 1 57 LEU MD1 . . 4.270 3.493 2.952 3.928 . 0 0 "[ . 1 . 2]" 1
873 1 54 ASP HB3 1 57 LEU MD2 . . 4.930 3.660 3.139 4.206 . 0 0 "[ . 1 . 2]" 1
874 1 54 ASP HB3 1 57 LEU HG . . 4.350 2.548 2.090 2.869 . 0 0 "[ . 1 . 2]" 1
875 1 55 PRO HA 1 57 LEU H . . 5.360 3.731 3.482 3.908 . 0 0 "[ . 1 . 2]" 1
876 1 55 PRO HA 1 60 ILE HB . . 5.490 4.080 3.722 4.308 . 0 0 "[ . 1 . 2]" 1
877 1 55 PRO HA 1 60 ILE MD . . 4.790 4.285 4.057 4.436 . 0 0 "[ . 1 . 2]" 1
878 1 55 PRO HA 1 60 ILE HG12 . . 5.500 5.415 5.204 5.544 0.044 2 0 "[ . 1 . 2]" 1
879 1 55 PRO HA 1 60 ILE HG13 . . 5.500 3.906 3.659 4.086 . 0 0 "[ . 1 . 2]" 1
880 1 55 PRO HA 1 60 ILE MG . . 3.630 2.000 1.864 2.171 . 0 0 "[ . 1 . 2]" 1
881 1 55 PRO HD2 1 56 LYS H . . 4.200 3.197 3.079 3.301 . 0 0 "[ . 1 . 2]" 1
882 1 55 PRO HD3 1 56 LYS H . . 4.850 4.206 4.145 4.279 . 0 0 "[ . 1 . 2]" 1
883 1 55 PRO HG2 1 56 LYS H . . 4.800 3.305 2.991 3.553 . 0 0 "[ . 1 . 2]" 1
884 1 55 PRO HG3 1 56 LYS H . . 4.800 4.651 4.426 4.816 0.016 14 0 "[ . 1 . 2]" 1
885 1 56 LYS H 1 56 LYS QB . . 3.370 2.538 2.398 3.051 . 0 0 "[ . 1 . 2]" 1
886 1 56 LYS H 1 56 LYS QD . . 5.500 4.024 2.362 4.727 . 0 0 "[ . 1 . 2]" 1
887 1 56 LYS H 1 56 LYS QE . . 5.420 3.945 2.446 4.822 . 0 0 "[ . 1 . 2]" 1
888 1 56 LYS H 1 56 LYS QG . . 3.440 2.715 2.235 3.542 0.102 17 0 "[ . 1 . 2]" 1
889 1 56 LYS H 1 57 LEU H . . 3.440 2.415 2.110 2.631 . 0 0 "[ . 1 . 2]" 1
890 1 56 LYS H 1 60 ILE MG . . 5.450 4.124 3.758 4.547 . 0 0 "[ . 1 . 2]" 1
891 1 56 LYS HA 1 56 LYS QD . . 4.210 3.330 1.784 4.343 0.133 4 0 "[ . 1 . 2]" 1
892 1 56 LYS HA 1 56 LYS QE . . 5.500 3.730 1.742 5.256 . 0 0 "[ . 1 . 2]" 1
893 1 56 LYS HA 1 56 LYS QG . . 3.770 2.753 2.387 3.497 . 0 0 "[ . 1 . 2]" 1
894 1 56 LYS HA 1 61 GLN HE21 . . 4.320 3.230 2.776 4.332 0.012 12 0 "[ . 1 . 2]" 1
895 1 56 LYS HA 1 61 GLN HE22 . . 5.190 3.134 2.073 4.545 . 0 0 "[ . 1 . 2]" 1
896 1 56 LYS QB 1 56 LYS QD . . 2.860 2.417 2.179 2.869 0.009 2 0 "[ . 1 . 2]" 1
897 1 56 LYS QB 1 56 LYS QE . . 3.580 2.610 1.772 3.743 0.163 18 0 "[ . 1 . 2]" 1
898 1 56 LYS QB 1 57 LEU H . . 5.410 3.612 3.325 4.098 . 0 0 "[ . 1 . 2]" 1
899 1 56 LYS QE 1 57 LEU H . . 5.500 5.228 4.601 5.689 0.189 7 0 "[ . 1 . 2]" 1
900 1 56 LYS QG 1 57 LEU H . . 5.500 4.436 3.015 4.990 . 0 0 "[ . 1 . 2]" 1
901 1 57 LEU H 1 57 LEU HB2 . . 3.450 2.232 2.170 2.305 . 0 0 "[ . 1 . 2]" 1
902 1 57 LEU H 1 57 LEU HB3 . . 3.410 3.509 3.471 3.538 0.128 3 0 "[ . 1 . 2]" 1
903 1 57 LEU H 1 57 LEU MD1 . . 4.490 3.730 3.614 3.813 . 0 0 "[ . 1 . 2]" 1
904 1 57 LEU H 1 57 LEU MD2 . . 4.170 3.645 3.396 3.906 . 0 0 "[ . 1 . 2]" 1
905 1 57 LEU H 1 57 LEU HG . . 3.400 2.700 2.477 2.924 . 0 0 "[ . 1 . 2]" 1
906 1 57 LEU H 1 58 LYS H . . 5.170 4.557 4.472 4.629 . 0 0 "[ . 1 . 2]" 1
907 1 57 LEU H 1 60 ILE H . . 5.500 4.659 4.504 4.829 . 0 0 "[ . 1 . 2]" 1
908 1 57 LEU H 1 60 ILE MD . . 4.940 4.959 4.884 5.025 0.085 4 0 "[ . 1 . 2]" 1
909 1 57 LEU H 1 60 ILE HG12 . . 4.330 4.337 4.289 4.366 0.036 8 0 "[ . 1 . 2]" 1
910 1 57 LEU H 1 60 ILE HG13 . . 5.400 3.596 3.510 3.662 . 0 0 "[ . 1 . 2]" 1
911 1 57 LEU H 1 60 ILE MG . . 5.020 3.287 3.070 3.547 . 0 0 "[ . 1 . 2]" 1
912 1 57 LEU HA 1 57 LEU MD2 . . 3.430 2.018 1.933 2.134 . 0 0 "[ . 1 . 2]" 1
913 1 57 LEU HA 1 58 LYS H . . 3.300 2.212 2.107 2.317 . 0 0 "[ . 1 . 2]" 1
914 1 57 LEU HA 1 60 ILE HG12 . . 5.500 4.970 4.846 5.055 . 0 0 "[ . 1 . 2]" 1
915 1 57 LEU HB2 1 58 LYS H . . 3.930 3.969 3.939 4.022 0.092 7 0 "[ . 1 . 2]" 1
916 1 57 LEU HB2 1 59 TRP H . . 5.410 4.407 4.248 4.550 . 0 0 "[ . 1 . 2]" 1
917 1 57 LEU HB2 1 59 TRP HD1 . . 5.260 4.834 4.417 5.097 . 0 0 "[ . 1 . 2]" 1
918 1 57 LEU HB2 1 60 ILE H . . 4.650 3.137 2.961 3.386 . 0 0 "[ . 1 . 2]" 1
919 1 57 LEU HB2 1 60 ILE HA . . 5.500 4.553 4.366 4.815 . 0 0 "[ . 1 . 2]" 1
920 1 57 LEU HB2 1 60 ILE HB . . 5.500 2.110 1.934 2.385 . 0 0 "[ . 1 . 2]" 1
921 1 57 LEU HB2 1 60 ILE MD . . 4.840 3.701 3.639 3.778 . 0 0 "[ . 1 . 2]" 1
922 1 57 LEU HB2 1 60 ILE HG13 . . 5.350 2.211 2.149 2.286 . 0 0 "[ . 1 . 2]" 1
923 1 57 LEU HB2 1 60 ILE MG . . 4.660 3.250 3.119 3.364 . 0 0 "[ . 1 . 2]" 1
924 1 57 LEU HB3 1 58 LYS H . . 4.940 2.805 2.747 2.985 . 0 0 "[ . 1 . 2]" 1
925 1 57 LEU HB3 1 59 TRP H . . 5.500 3.062 2.812 3.262 . 0 0 "[ . 1 . 2]" 1
926 1 57 LEU HB3 1 59 TRP HD1 . . 4.740 3.274 2.808 3.542 . 0 0 "[ . 1 . 2]" 1
927 1 57 LEU HB3 1 60 ILE H . . 5.110 2.772 2.531 2.989 . 0 0 "[ . 1 . 2]" 1
928 1 57 LEU HB3 1 60 ILE MD . . 5.170 4.321 4.149 4.474 . 0 0 "[ . 1 . 2]" 1
929 1 57 LEU HB3 1 60 ILE HG13 . . 4.830 3.522 3.358 3.654 . 0 0 "[ . 1 . 2]" 1
930 1 57 LEU HB3 1 60 ILE MG . . 4.410 4.478 4.442 4.517 0.107 2 0 "[ . 1 . 2]" 1
931 1 57 LEU MD1 1 58 LYS H . . 5.500 4.477 4.356 4.632 . 0 0 "[ . 1 . 2]" 1
932 1 57 LEU MD1 1 59 TRP HD1 . . 3.570 3.477 3.054 3.632 0.062 20 0 "[ . 1 . 2]" 1
933 1 57 LEU MD1 1 59 TRP HZ2 . . 4.100 3.402 3.204 3.572 . 0 0 "[ . 1 . 2]" 1
934 1 57 LEU MD1 1 60 ILE H . . 5.500 4.149 3.989 4.437 . 0 0 "[ . 1 . 2]" 1
935 1 57 LEU MD1 1 60 ILE MD . . 4.450 3.257 3.131 3.416 . 0 0 "[ . 1 . 2]" 1
936 1 57 LEU MD1 1 60 ILE HG13 . . 4.850 2.479 2.275 2.722 . 0 0 "[ . 1 . 2]" 1
937 1 57 LEU MD2 1 58 LYS H . . 4.260 3.061 2.798 3.341 . 0 0 "[ . 1 . 2]" 1
938 1 57 LEU MD2 1 59 TRP H . . 5.500 4.228 3.685 4.726 . 0 0 "[ . 1 . 2]" 1
939 1 57 LEU MD2 1 59 TRP HD1 . . 4.710 3.606 2.739 3.999 . 0 0 "[ . 1 . 2]" 1
940 1 57 LEU MD2 1 59 TRP HZ2 . . 5.500 5.494 5.263 5.608 0.108 18 0 "[ . 1 . 2]" 1
941 1 57 LEU MD2 1 60 ILE H . . 5.500 4.694 4.349 4.954 . 0 0 "[ . 1 . 2]" 1
942 1 57 LEU MD2 1 60 ILE HG13 . . 5.210 4.672 4.552 4.786 . 0 0 "[ . 1 . 2]" 1
943 1 58 LYS H 1 58 LYS QB . . 3.350 2.389 2.211 2.515 . 0 0 "[ . 1 . 2]" 1
944 1 58 LYS H 1 58 LYS QD . . 5.460 4.082 3.732 4.712 . 0 0 "[ . 1 . 2]" 1
945 1 58 LYS H 1 58 LYS HG2 . . 5.130 3.863 3.234 4.514 . 0 0 "[ . 1 . 2]" 1
946 1 58 LYS H 1 58 LYS QG . . 4.420 2.950 2.002 4.081 . 0 0 "[ . 1 . 2]" 1
947 1 58 LYS H 1 58 LYS HG3 . . 5.130 3.173 2.021 4.654 . 0 0 "[ . 1 . 2]" 1
948 1 58 LYS H 1 59 TRP H . . 4.740 2.702 2.564 2.886 . 0 0 "[ . 1 . 2]" 1
949 1 58 LYS H 1 60 ILE H . . 5.500 3.775 3.662 3.895 . 0 0 "[ . 1 . 2]" 1
950 1 58 LYS H 1 61 GLN H . . 5.500 4.595 4.471 4.856 . 0 0 "[ . 1 . 2]" 1
951 1 58 LYS HA 1 58 LYS QD . . 4.370 3.951 2.787 4.228 . 0 0 "[ . 1 . 2]" 1
952 1 58 LYS HA 1 58 LYS QE . . 5.500 4.414 3.830 5.047 . 0 0 "[ . 1 . 2]" 1
953 1 58 LYS HA 1 60 ILE H . . 5.500 3.990 3.521 4.238 . 0 0 "[ . 1 . 2]" 1
954 1 58 LYS HA 1 61 GLN H . . 4.850 3.194 2.626 3.581 . 0 0 "[ . 1 . 2]" 1
955 1 58 LYS HA 1 61 GLN HG2 . . 4.780 2.728 2.200 4.605 . 0 0 "[ . 1 . 2]" 1
956 1 58 LYS QB 1 58 LYS QD . . 3.260 2.240 2.099 2.423 . 0 0 "[ . 1 . 2]" 1
957 1 58 LYS QB 1 59 TRP H . . 4.300 2.641 2.393 3.185 . 0 0 "[ . 1 . 2]" 1
958 1 58 LYS QB 1 59 TRP HD1 . . 5.430 4.252 3.823 4.921 . 0 0 "[ . 1 . 2]" 1
959 1 58 LYS QB 1 60 ILE H . . 5.500 4.444 4.327 4.564 . 0 0 "[ . 1 . 2]" 1
960 1 59 TRP H 1 60 ILE H . . 4.810 2.419 2.346 2.495 . 0 0 "[ . 1 . 2]" 1
961 1 59 TRP H 1 61 GLN H . . 4.240 4.082 3.963 4.277 0.037 1 0 "[ . 1 . 2]" 1
962 1 59 TRP HA 1 59 TRP HD1 . . 5.160 4.553 4.415 4.651 . 0 0 "[ . 1 . 2]" 1
963 1 59 TRP HA 1 61 GLN H . . 5.110 4.150 3.907 4.452 . 0 0 "[ . 1 . 2]" 1
964 1 59 TRP HA 1 62 GLU H . . 4.840 3.187 3.019 3.415 . 0 0 "[ . 1 . 2]" 1
965 1 59 TRP HA 1 62 GLU HB2 . . 4.850 2.785 2.427 3.054 . 0 0 "[ . 1 . 2]" 1
966 1 59 TRP HA 1 62 GLU QB . . 4.230 2.706 2.192 3.020 . 0 0 "[ . 1 . 2]" 1
967 1 59 TRP HA 1 62 GLU HB3 . . 4.850 4.057 2.378 4.767 . 0 0 "[ . 1 . 2]" 1
968 1 59 TRP HA 1 62 GLU HG2 . . 5.500 3.493 2.147 4.989 . 0 0 "[ . 1 . 2]" 1
969 1 59 TRP HA 1 62 GLU QG . . 4.840 2.802 2.016 4.226 . 0 0 "[ . 1 . 2]" 1
970 1 59 TRP HA 1 62 GLU HG3 . . 5.500 3.174 2.373 5.389 . 0 0 "[ . 1 . 2]" 1
971 1 59 TRP HA 1 63 TYR H . . 5.310 4.096 3.882 4.287 . 0 0 "[ . 1 . 2]" 1
972 1 59 TRP HB2 1 60 ILE H . . 5.500 4.087 3.969 4.141 . 0 0 "[ . 1 . 2]" 1
973 1 59 TRP HB3 1 59 TRP HD1 . . 3.670 2.763 2.693 2.836 . 0 0 "[ . 1 . 2]" 1
974 1 59 TRP HB3 1 60 ILE H . . 5.500 4.086 4.015 4.213 . 0 0 "[ . 1 . 2]" 1
975 1 59 TRP HE3 1 60 ILE MD . . 4.840 3.443 3.310 3.610 . 0 0 "[ . 1 . 2]" 1
976 1 59 TRP HH2 1 60 ILE MD . . 4.880 3.016 2.829 3.143 . 0 0 "[ . 1 . 2]" 1
977 1 59 TRP HZ2 1 60 ILE MD . . 5.500 3.251 2.966 3.421 . 0 0 "[ . 1 . 2]" 1
978 1 59 TRP HZ3 1 60 ILE HA . . 4.930 4.525 4.088 4.939 0.009 7 0 "[ . 1 . 2]" 1
979 1 59 TRP HZ3 1 60 ILE MD . . 5.450 3.131 2.825 3.405 . 0 0 "[ . 1 . 2]" 1
980 1 59 TRP HZ3 1 63 TYR HB2 . . 5.470 3.681 3.103 4.062 . 0 0 "[ . 1 . 2]" 1
981 1 59 TRP HZ3 1 63 TYR HB3 . . 5.320 4.727 3.916 5.310 . 0 0 "[ . 1 . 2]" 1
982 1 59 TRP O 1 63 TYR H . . 2.000 2.007 1.860 2.066 0.066 7 0 "[ . 1 . 2]" 1
983 1 59 TRP O 1 63 TYR N . . 3.000 2.899 2.778 2.955 . 0 0 "[ . 1 . 2]" 1
984 1 60 ILE H 1 60 ILE HB . . 4.130 2.329 2.301 2.393 . 0 0 "[ . 1 . 2]" 1
985 1 60 ILE H 1 60 ILE MD . . 5.150 3.575 3.457 3.686 . 0 0 "[ . 1 . 2]" 1
986 1 60 ILE H 1 60 ILE HG12 . . 4.190 2.529 2.417 2.628 . 0 0 "[ . 1 . 2]" 1
987 1 60 ILE H 1 60 ILE HG13 . . 4.600 3.827 3.759 3.887 . 0 0 "[ . 1 . 2]" 1
988 1 60 ILE H 1 60 ILE MG . . 4.420 3.705 3.682 3.741 . 0 0 "[ . 1 . 2]" 1
989 1 60 ILE H 1 61 GLN H . . 4.110 2.537 2.452 2.627 . 0 0 "[ . 1 . 2]" 1
990 1 60 ILE H 1 62 GLU H . . 5.220 4.012 3.848 4.208 . 0 0 "[ . 1 . 2]" 1
991 1 60 ILE HA 1 60 ILE MD . . 4.040 1.952 1.922 1.980 . 0 0 "[ . 1 . 2]" 1
992 1 60 ILE HA 1 62 GLU H . . 5.290 4.298 3.988 4.490 . 0 0 "[ . 1 . 2]" 1
993 1 60 ILE HA 1 63 TYR H . . 5.450 3.057 2.852 3.223 . 0 0 "[ . 1 . 2]" 1
994 1 60 ILE HA 1 63 TYR HB2 . . 4.440 2.969 2.601 3.377 . 0 0 "[ . 1 . 2]" 1
995 1 60 ILE HA 1 63 TYR HB3 . . 4.390 2.351 2.093 2.546 . 0 0 "[ . 1 . 2]" 1
996 1 60 ILE HA 1 63 TYR QD . . 4.520 4.005 3.339 4.262 . 0 0 "[ . 1 . 2]" 1
997 1 60 ILE HA 1 64 LEU H . . 5.160 3.834 3.756 3.944 . 0 0 "[ . 1 . 2]" 1
998 1 60 ILE HA 1 64 LEU MD1 . . 5.500 3.410 3.163 4.427 . 0 0 "[ . 1 . 2]" 1
999 1 60 ILE HB 1 61 GLN H . . 4.990 2.759 2.560 2.915 . 0 0 "[ . 1 . 2]" 1
1000 1 60 ILE MD 1 60 ILE MG . . 3.430 2.047 1.988 2.090 . 0 0 "[ . 1 . 2]" 1
1001 1 60 ILE MD 1 61 GLN H . . 5.500 4.719 4.660 4.769 . 0 0 "[ . 1 . 2]" 1
1002 1 60 ILE MD 1 63 TYR HB2 . . 5.350 3.421 3.116 3.832 . 0 0 "[ . 1 . 2]" 1
1003 1 60 ILE MD 1 63 TYR HB3 . . 5.120 3.098 2.905 3.290 . 0 0 "[ . 1 . 2]" 1
1004 1 60 ILE MD 1 63 TYR QD . . 4.540 3.556 3.042 3.832 . 0 0 "[ . 1 . 2]" 1
1005 1 60 ILE MD 1 64 LEU H . . 5.500 4.786 4.650 4.950 . 0 0 "[ . 1 . 2]" 1
1006 1 60 ILE MG 1 61 GLN H . . 4.480 3.228 3.057 3.402 . 0 0 "[ . 1 . 2]" 1
1007 1 60 ILE MG 1 61 GLN HA . . 4.460 3.336 3.274 3.505 . 0 0 "[ . 1 . 2]" 1
1008 1 60 ILE MG 1 61 GLN QB . . 5.500 4.606 4.425 4.775 . 0 0 "[ . 1 . 2]" 1
1009 1 60 ILE MG 1 61 GLN HE21 . . 5.500 2.653 2.349 3.200 . 0 0 "[ . 1 . 2]" 1
1010 1 60 ILE MG 1 61 GLN HG2 . . 5.380 4.119 3.696 5.203 . 0 0 "[ . 1 . 2]" 1
1011 1 60 ILE MG 1 63 TYR HB2 . . 5.500 4.625 4.235 4.985 . 0 0 "[ . 1 . 2]" 1
1012 1 60 ILE MG 1 63 TYR HB3 . . 5.440 3.384 3.086 3.668 . 0 0 "[ . 1 . 2]" 1
1013 1 60 ILE MG 1 63 TYR QD . . 4.300 3.646 2.893 3.923 . 0 0 "[ . 1 . 2]" 1
1014 1 60 ILE MG 1 63 TYR QE . . 5.500 5.267 4.055 5.540 0.040 8 0 "[ . 1 . 2]" 1
1015 1 60 ILE MG 1 64 LEU H . . 5.350 3.713 3.643 3.789 . 0 0 "[ . 1 . 2]" 1
1016 1 60 ILE MG 1 64 LEU HA . . 5.470 5.086 4.969 5.187 . 0 0 "[ . 1 . 2]" 1
1017 1 60 ILE MG 1 64 LEU MD2 . . 3.190 2.955 2.642 3.207 0.017 9 0 "[ . 1 . 2]" 1
1018 1 60 ILE MG 1 64 LEU HG . . 4.210 4.172 2.511 4.301 0.091 17 0 "[ . 1 . 2]" 1
1019 1 60 ILE O 1 64 LEU H . . 2.000 1.800 1.729 1.873 . 0 0 "[ . 1 . 2]" 1
1020 1 60 ILE O 1 64 LEU N . . 3.000 2.767 2.706 2.843 . 0 0 "[ . 1 . 2]" 1
1021 1 61 GLN H 1 61 GLN QB . . 3.840 2.486 2.274 2.597 . 0 0 "[ . 1 . 2]" 1
1022 1 61 GLN H 1 61 GLN HG2 . . 4.310 2.361 2.150 4.035 . 0 0 "[ . 1 . 2]" 1
1023 1 61 GLN H 1 61 GLN HG3 . . 4.370 3.727 3.596 4.130 . 0 0 "[ . 1 . 2]" 1
1024 1 61 GLN H 1 62 GLU H . . 3.810 2.696 2.530 2.852 . 0 0 "[ . 1 . 2]" 1
1025 1 61 GLN H 1 63 TYR H . . 4.180 4.035 3.870 4.186 0.006 12 0 "[ . 1 . 2]" 1
1026 1 61 GLN HA 1 61 GLN HE21 . . 5.500 2.610 2.189 2.909 . 0 0 "[ . 1 . 2]" 1
1027 1 61 GLN HA 1 61 GLN HE22 . . 5.500 3.272 3.157 3.426 . 0 0 "[ . 1 . 2]" 1
1028 1 61 GLN HA 1 61 GLN HG2 . . 4.180 3.157 2.928 3.650 . 0 0 "[ . 1 . 2]" 1
1029 1 61 GLN HA 1 61 GLN HG3 . . 4.060 3.700 2.544 3.807 . 0 0 "[ . 1 . 2]" 1
1030 1 61 GLN HA 1 64 LEU H . . 4.030 3.470 3.212 3.796 . 0 0 "[ . 1 . 2]" 1
1031 1 61 GLN HA 1 64 LEU MD1 . . 3.800 3.446 2.812 3.684 . 0 0 "[ . 1 . 2]" 1
1032 1 61 GLN HA 1 65 GLU H . . 5.100 3.961 3.531 4.250 . 0 0 "[ . 1 . 2]" 1
1033 1 61 GLN QB 1 62 GLU H . . 3.240 2.453 2.174 2.798 . 0 0 "[ . 1 . 2]" 1
1034 1 61 GLN QB 1 64 LEU H . . 4.860 4.902 4.841 4.964 0.104 6 0 "[ . 1 . 2]" 1
1035 1 61 GLN QB 1 64 LEU MD1 . . 5.100 5.057 4.568 5.176 0.076 8 0 "[ . 1 . 2]" 1
1036 1 61 GLN HE21 1 64 LEU MD1 . . 4.960 3.958 2.067 4.470 . 0 0 "[ . 1 . 2]" 1
1037 1 61 GLN HE22 1 64 LEU MD2 . . 5.060 3.468 2.578 5.149 0.089 12 0 "[ . 1 . 2]" 1
1038 1 61 GLN O 1 65 GLU H . . 2.000 1.945 1.778 2.053 0.053 4 0 "[ . 1 . 2]" 1
1039 1 61 GLN O 1 65 GLU N . . 3.000 2.862 2.715 2.974 . 0 0 "[ . 1 . 2]" 1
1040 1 62 GLU H 1 62 GLU HB2 . . 4.000 2.469 2.047 2.612 . 0 0 "[ . 1 . 2]" 1
1041 1 62 GLU H 1 62 GLU QB . . 3.480 2.411 1.967 2.554 . 0 0 "[ . 1 . 2]" 1
1042 1 62 GLU H 1 62 GLU HB3 . . 4.000 3.427 2.433 3.656 . 0 0 "[ . 1 . 2]" 1
1043 1 62 GLU H 1 62 GLU HG2 . . 4.310 2.822 2.055 4.186 . 0 0 "[ . 1 . 2]" 1
1044 1 62 GLU H 1 62 GLU QG . . 3.620 2.437 2.042 3.779 0.159 17 0 "[ . 1 . 2]" 1
1045 1 62 GLU H 1 62 GLU HG3 . . 4.310 3.352 2.084 4.304 . 0 0 "[ . 1 . 2]" 1
1046 1 62 GLU H 1 63 TYR H . . 2.840 2.673 2.502 2.781 . 0 0 "[ . 1 . 2]" 1
1047 1 62 GLU H 1 64 LEU H . . 5.440 4.279 4.056 4.465 . 0 0 "[ . 1 . 2]" 1
1048 1 62 GLU HA 1 62 GLU QG . . 3.730 2.758 2.427 3.062 . 0 0 "[ . 1 . 2]" 1
1049 1 62 GLU HA 1 65 GLU H . . 4.330 3.589 3.246 4.149 . 0 0 "[ . 1 . 2]" 1
1050 1 62 GLU HA 1 65 GLU QB . . 4.130 2.688 2.195 3.401 . 0 0 "[ . 1 . 2]" 1
1051 1 62 GLU HA 1 66 LYS H . . 5.500 3.955 3.752 4.290 . 0 0 "[ . 1 . 2]" 1
1052 1 62 GLU O 1 66 LYS H . . 2.000 1.942 1.812 2.068 0.068 3 0 "[ . 1 . 2]" 1
1053 1 62 GLU O 1 66 LYS N . . 3.000 2.895 2.744 3.044 0.044 3 0 "[ . 1 . 2]" 1
1054 1 63 TYR H 1 63 TYR QD . . 4.820 4.213 4.096 4.255 . 0 0 "[ . 1 . 2]" 1
1055 1 63 TYR H 1 64 LEU H . . 4.250 2.799 2.679 2.885 . 0 0 "[ . 1 . 2]" 1
1056 1 63 TYR HA 1 63 TYR QD . . 3.810 2.730 2.515 2.968 . 0 0 "[ . 1 . 2]" 1
1057 1 63 TYR HA 1 63 TYR QE . . 5.500 4.615 4.520 4.850 . 0 0 "[ . 1 . 2]" 1
1058 1 63 TYR HA 1 66 LYS H . . 5.310 3.685 3.402 3.868 . 0 0 "[ . 1 . 2]" 1
1059 1 63 TYR HA 1 66 LYS QB . . 4.330 3.653 2.397 4.364 0.034 19 0 "[ . 1 . 2]" 1
1060 1 63 TYR HB2 1 64 LEU H . . 4.310 3.857 3.739 3.998 . 0 0 "[ . 1 . 2]" 1
1061 1 63 TYR HB3 1 64 LEU H . . 4.070 2.523 2.372 2.710 . 0 0 "[ . 1 . 2]" 1
1062 1 63 TYR HB3 1 64 LEU MD2 . . 5.140 5.084 4.387 5.179 0.039 1 0 "[ . 1 . 2]" 1
1063 1 63 TYR HB3 1 64 LEU HG . . 5.500 5.028 3.453 5.354 . 0 0 "[ . 1 . 2]" 1
1064 1 63 TYR QD 1 64 LEU H . . 4.770 3.473 2.834 3.692 . 0 0 "[ . 1 . 2]" 1
1065 1 63 TYR QD 1 64 LEU HA . . 5.370 3.548 3.099 3.832 . 0 0 "[ . 1 . 2]" 1
1066 1 63 TYR QD 1 64 LEU MD1 . . 3.840 2.024 1.882 3.447 . 0 0 "[ . 1 . 2]" 1
1067 1 63 TYR QD 1 64 LEU HG . . 4.270 3.814 1.949 4.250 . 0 0 "[ . 1 . 2]" 1
1068 1 63 TYR QD 1 67 ALA MB . . 4.750 3.823 3.406 4.370 . 0 0 "[ . 1 . 2]" 1
1069 1 63 TYR QE 1 64 LEU HA . . 5.500 4.746 3.803 5.095 . 0 0 "[ . 1 . 2]" 1
1070 1 63 TYR QE 1 64 LEU MD1 . . 3.750 3.708 3.419 3.979 0.229 12 0 "[ . 1 . 2]" 1
1071 1 63 TYR QE 1 67 ALA MB . . 4.390 3.706 3.073 4.370 . 0 0 "[ . 1 . 2]" 1
1072 1 63 TYR O 1 67 ALA H . . 2.000 1.956 1.754 2.049 0.049 15 0 "[ . 1 . 2]" 1
1073 1 63 TYR O 1 67 ALA N . . 3.000 2.849 2.716 2.999 . 0 0 "[ . 1 . 2]" 1
1074 1 64 LEU H 1 64 LEU HB2 . . 3.300 2.357 2.299 2.423 . 0 0 "[ . 1 . 2]" 1
1075 1 64 LEU H 1 64 LEU HB3 . . 4.160 3.598 3.565 3.636 . 0 0 "[ . 1 . 2]" 1
1076 1 64 LEU H 1 64 LEU MD1 . . 3.790 2.313 2.191 3.467 . 0 0 "[ . 1 . 2]" 1
1077 1 64 LEU H 1 64 LEU MD2 . . 5.050 3.914 3.537 4.029 . 0 0 "[ . 1 . 2]" 1
1078 1 64 LEU H 1 64 LEU HG . . 4.150 3.870 2.381 4.040 . 0 0 "[ . 1 . 2]" 1
1079 1 64 LEU H 1 65 GLU H . . 3.750 2.661 2.540 2.800 . 0 0 "[ . 1 . 2]" 1
1080 1 64 LEU H 1 67 ALA MB . . 5.500 4.520 4.198 4.862 . 0 0 "[ . 1 . 2]" 1
1081 1 64 LEU HA 1 64 LEU MD2 . . 3.690 3.685 2.035 3.786 0.096 17 0 "[ . 1 . 2]" 1
1082 1 64 LEU HA 1 67 ALA H . . 4.910 3.376 3.054 3.779 . 0 0 "[ . 1 . 2]" 1
1083 1 64 LEU HA 1 67 ALA MB . . 3.880 2.415 2.068 2.783 . 0 0 "[ . 1 . 2]" 1
1084 1 64 LEU HB2 1 64 LEU MD2 . . 3.590 2.408 2.319 3.182 . 0 0 "[ . 1 . 2]" 1
1085 1 64 LEU HB2 1 65 GLU H . . 3.750 2.907 2.540 3.084 . 0 0 "[ . 1 . 2]" 1
1086 1 64 LEU HB3 1 64 LEU MD2 . . 3.480 2.294 2.265 2.323 . 0 0 "[ . 1 . 2]" 1
1087 1 64 LEU HB3 1 65 GLU H . . 4.260 3.528 3.335 3.694 . 0 0 "[ . 1 . 2]" 1
1088 1 64 LEU MD1 1 65 GLU H . . 4.220 4.205 4.109 4.357 0.137 12 0 "[ . 1 . 2]" 1
1089 1 64 LEU HG 1 65 GLU H . . 5.500 5.168 4.349 5.258 . 0 0 "[ . 1 . 2]" 1
1090 1 64 LEU O 1 68 LEU H . . 2.000 1.970 1.736 2.053 0.053 2 0 "[ . 1 . 2]" 1
1091 1 64 LEU O 1 68 LEU N . . 3.000 2.874 2.684 2.991 . 0 0 "[ . 1 . 2]" 1
1092 1 65 GLU H 1 65 GLU HB2 . . 3.960 2.462 2.206 2.590 . 0 0 "[ . 1 . 2]" 1
1093 1 65 GLU H 1 65 GLU QB . . 3.210 2.319 2.089 2.541 . 0 0 "[ . 1 . 2]" 1
1094 1 65 GLU H 1 65 GLU HB3 . . 3.960 3.091 2.351 3.679 . 0 0 "[ . 1 . 2]" 1
1095 1 65 GLU H 1 65 GLU HG2 . . 4.480 3.719 2.341 4.443 . 0 0 "[ . 1 . 2]" 1
1096 1 65 GLU H 1 65 GLU QG . . 3.770 3.033 2.228 3.899 0.129 8 0 "[ . 1 . 2]" 1
1097 1 65 GLU H 1 65 GLU HG3 . . 4.480 3.479 2.261 4.407 . 0 0 "[ . 1 . 2]" 1
1098 1 65 GLU H 1 66 LYS H . . 3.890 2.680 2.411 2.841 . 0 0 "[ . 1 . 2]" 1
1099 1 65 GLU H 1 67 ALA H . . 4.170 4.057 3.755 4.287 0.117 18 0 "[ . 1 . 2]" 1
1100 1 65 GLU HA 1 68 LEU QB . . 4.600 3.164 1.971 4.676 0.076 20 0 "[ . 1 . 2]" 1
1101 1 65 GLU HB2 1 66 LYS H . . 4.860 3.143 2.222 3.909 . 0 0 "[ . 1 . 2]" 1
1102 1 65 GLU HB3 1 66 LYS H . . 4.860 3.050 2.219 3.750 . 0 0 "[ . 1 . 2]" 1
1103 1 65 GLU O 1 69 ASN H . . 2.000 1.996 1.824 2.097 0.097 11 0 "[ . 1 . 2]" 1
1104 1 65 GLU O 1 69 ASN N . . 3.000 2.871 2.693 3.020 0.020 3 0 "[ . 1 . 2]" 1
1105 1 66 LYS H 1 66 LYS QD . . 5.500 4.056 3.771 4.481 . 0 0 "[ . 1 . 2]" 1
1106 1 66 LYS H 1 66 LYS HG2 . . 5.160 3.009 2.089 4.450 . 0 0 "[ . 1 . 2]" 1
1107 1 66 LYS H 1 66 LYS HG3 . . 5.160 3.705 3.019 4.366 . 0 0 "[ . 1 . 2]" 1
1108 1 66 LYS H 1 67 ALA H . . 4.200 2.661 2.484 2.939 . 0 0 "[ . 1 . 2]" 1
1109 1 66 LYS HA 1 66 LYS QD . . 4.070 3.606 2.274 4.264 0.194 6 0 "[ . 1 . 2]" 1
1110 1 66 LYS HA 1 66 LYS QE . . 5.500 4.880 3.090 5.609 0.109 15 0 "[ . 1 . 2]" 1
1111 1 66 LYS HA 1 69 ASN HB2 . . 5.500 3.854 2.492 5.420 . 0 0 "[ . 1 . 2]" 1
1112 1 66 LYS HA 1 69 ASN HB3 . . 5.500 2.987 1.937 5.506 0.006 17 0 "[ . 1 . 2]" 1
1113 1 66 LYS QB 1 66 LYS QD . . 3.500 2.154 2.013 2.710 . 0 0 "[ . 1 . 2]" 1
1114 1 66 LYS QB 1 66 LYS QE . . 4.300 3.249 1.887 3.733 . 0 0 "[ . 1 . 2]" 1
1115 1 66 LYS QB 1 67 ALA H . . 4.050 3.032 1.823 3.716 . 0 0 "[ . 1 . 2]" 1
1116 1 66 LYS QD 1 66 LYS HG2 . . 2.400 2.351 2.249 2.439 0.039 4 0 "[ . 1 . 2]" 1
1117 1 66 LYS QD 1 66 LYS HG3 . . 2.400 2.304 2.124 2.427 0.027 11 0 "[ . 1 . 2]" 1
1118 1 66 LYS HG2 1 67 ALA H . . 3.130 3.065 2.475 3.394 0.264 4 0 "[ . 1 . 2]" 1
1119 1 66 LYS HG3 1 67 ALA H . . 3.300 2.857 2.171 3.660 0.360 11 0 "[ . 1 . 2]" 1
1120 1 66 LYS O 1 70 LYS H . . 2.000 1.855 1.668 2.118 0.118 17 0 "[ . 1 . 2]" 1
1121 1 66 LYS O 1 70 LYS N . . 3.000 2.765 2.613 2.976 . 0 0 "[ . 1 . 2]" 1
1122 1 67 ALA H 1 67 ALA MB . . 3.440 2.261 2.231 2.316 . 0 0 "[ . 1 . 2]" 1
1123 1 67 ALA H 1 68 LEU H . . 3.710 2.738 2.465 2.988 . 0 0 "[ . 1 . 2]" 1
1124 1 67 ALA MB 1 68 LEU H . . 3.840 2.620 2.432 2.806 . 0 0 "[ . 1 . 2]" 1
1125 1 67 ALA MB 1 68 LEU HA . . 4.190 3.886 3.830 4.000 . 0 0 "[ . 1 . 2]" 1
1126 1 68 LEU H 1 68 LEU QB . . 3.430 2.369 2.078 2.863 . 0 0 "[ . 1 . 2]" 1
1127 1 68 LEU H 1 68 LEU QD . . 4.660 3.182 1.985 3.710 . 0 0 "[ . 1 . 2]" 1
1128 1 68 LEU H 1 68 LEU HG . . 4.220 3.324 2.150 4.327 0.107 19 0 "[ . 1 . 2]" 1
1129 1 68 LEU H 1 69 ASN H . . 4.590 2.463 2.338 2.617 . 0 0 "[ . 1 . 2]" 1
1130 1 68 LEU HA 1 68 LEU QD . . 3.370 2.358 1.973 3.401 0.031 20 0 "[ . 1 . 2]" 1
1131 1 69 ASN H 1 70 LYS H . . 4.500 2.569 2.051 2.937 . 0 0 "[ . 1 . 2]" 1
1132 1 69 ASN QB 1 70 LYS H . . 3.800 2.587 2.115 3.856 0.056 17 0 "[ . 1 . 2]" 1
1133 1 69 ASN HB2 1 70 LYS H . . 4.320 3.843 3.040 4.335 0.015 17 0 "[ . 1 . 2]" 1
1134 1 69 ASN HB3 1 70 LYS H . . 4.320 2.688 2.129 4.321 0.001 17 0 "[ . 1 . 2]" 1
1135 1 70 LYS H 1 70 LYS HB2 . . 3.880 3.079 2.504 3.891 0.011 10 0 "[ . 1 . 2]" 1
1136 1 70 LYS H 1 70 LYS QB . . 3.360 2.702 2.263 3.357 . 0 0 "[ . 1 . 2]" 1
1137 1 70 LYS H 1 70 LYS HB3 . . 3.880 3.127 2.517 3.969 0.089 9 0 "[ . 1 . 2]" 1
1138 1 70 LYS H 1 70 LYS QD . . 4.980 4.716 4.132 5.066 0.086 3 0 "[ . 1 . 2]" 1
1139 1 70 LYS H 1 70 LYS QG . . 4.920 3.827 2.537 4.171 . 0 0 "[ . 1 . 2]" 1
1140 1 70 LYS HA 1 70 LYS QD . . 4.070 4.027 3.947 4.173 0.103 16 0 "[ . 1 . 2]" 1
1141 1 70 LYS QB 1 70 LYS QD . . 2.250 2.113 2.051 2.222 . 0 0 "[ . 1 . 2]" 1
1142 1 70 LYS HB2 1 70 LYS QD . . 2.730 2.412 2.260 2.799 0.069 16 0 "[ . 1 . 2]" 1
1143 1 70 LYS HB3 1 70 LYS QD . . 2.730 2.355 2.273 2.429 . 0 0 "[ . 1 . 2]" 1
1144 1 70 LYS QD 1 70 LYS QG . . 2.450 2.070 1.992 2.098 . 0 0 "[ . 1 . 2]" 1
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