NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
451933 |
2rpv   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rpv
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 1444
_Distance_constraint_stats_list.Viol_count 1455
_Distance_constraint_stats_list.Viol_total 463.377
_Distance_constraint_stats_list.Viol_max 0.204
_Distance_constraint_stats_list.Viol_rms 0.0059
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0159
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 TYR 0.197 0.021 10 0 "[ . 1 . 2]"
1 3 VAL 0.872 0.046 10 0 "[ . 1 . 2]"
1 4 ASP 0.082 0.019 10 0 "[ . 1 . 2]"
1 5 THR 0.473 0.054 20 0 "[ . 1 . 2]"
1 6 ASN 0.339 0.054 20 0 "[ . 1 . 2]"
1 7 ASN 0.281 0.064 10 0 "[ . 1 . 2]"
1 8 ASP 0.038 0.014 10 0 "[ . 1 . 2]"
1 9 GLY 0.061 0.007 7 0 "[ . 1 . 2]"
1 10 ALA 0.151 0.028 10 0 "[ . 1 . 2]"
1 11 TYR 1.807 0.112 20 0 "[ . 1 . 2]"
1 12 GLU 0.343 0.028 20 0 "[ . 1 . 2]"
1 13 GLY 0.247 0.024 2 0 "[ . 1 . 2]"
1 14 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLU 1.064 0.112 20 0 "[ . 1 . 2]"
1 16 LEU 0.165 0.028 20 0 "[ . 1 . 2]"
1 17 SER 0.320 0.043 1 0 "[ . 1 . 2]"
1 18 GLY 0.455 0.043 1 0 "[ . 1 . 2]"
1 19 THR 2.011 0.066 16 0 "[ . 1 . 2]"
1 20 MET 1.656 0.052 10 0 "[ . 1 . 2]"
1 21 GLU 0.553 0.064 19 0 "[ . 1 . 2]"
1 22 TYR 0.413 0.021 3 0 "[ . 1 . 2]"
1 23 LYS 1.082 0.123 3 0 "[ . 1 . 2]"
1 24 LEU 0.855 0.033 2 0 "[ . 1 . 2]"
1 25 ILE 3.233 0.099 16 0 "[ . 1 . 2]"
1 26 LEU 1.308 0.050 9 0 "[ . 1 . 2]"
1 27 ASN 2.255 0.099 16 0 "[ . 1 . 2]"
1 28 GLY 0.005 0.003 2 0 "[ . 1 . 2]"
1 29 LYS 0.251 0.024 8 0 "[ . 1 . 2]"
1 30 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LEU 0.053 0.009 6 0 "[ . 1 . 2]"
1 32 LYS 1.217 0.040 8 0 "[ . 1 . 2]"
1 33 GLY 0.152 0.011 9 0 "[ . 1 . 2]"
1 34 GLU 0.334 0.031 15 0 "[ . 1 . 2]"
1 35 THR 0.595 0.039 16 0 "[ . 1 . 2]"
1 36 THR 0.734 0.057 10 0 "[ . 1 . 2]"
1 37 THR 0.094 0.029 1 0 "[ . 1 . 2]"
1 38 CYS 0.673 0.064 19 0 "[ . 1 . 2]"
1 39 ALA 2.147 0.204 12 0 "[ . 1 . 2]"
1 40 VAL 2.251 0.204 12 0 "[ . 1 . 2]"
1 41 ASP 0.689 0.037 12 0 "[ . 1 . 2]"
1 42 ALA 0.329 0.027 15 0 "[ . 1 . 2]"
1 43 ALA 0.016 0.011 10 0 "[ . 1 . 2]"
1 44 THR 0.582 0.057 20 0 "[ . 1 . 2]"
1 45 ALA 0.052 0.009 6 0 "[ . 1 . 2]"
1 46 GLU 0.415 0.092 20 0 "[ . 1 . 2]"
1 47 LYS 0.584 0.070 9 0 "[ . 1 . 2]"
1 48 VAL 0.223 0.040 6 0 "[ . 1 . 2]"
1 49 PHE 0.153 0.015 7 0 "[ . 1 . 2]"
1 50 LYS 0.696 0.098 6 0 "[ . 1 . 2]"
1 51 GLN 0.823 0.080 18 0 "[ . 1 . 2]"
1 52 TYR 0.554 0.080 18 0 "[ . 1 . 2]"
1 53 ALA 0.050 0.016 18 0 "[ . 1 . 2]"
1 54 ASN 0.185 0.023 17 0 "[ . 1 . 2]"
1 55 ASP 0.051 0.022 19 0 "[ . 1 . 2]"
1 56 ASN 0.027 0.013 19 0 "[ . 1 . 2]"
1 57 GLY 0.040 0.006 16 0 "[ . 1 . 2]"
1 58 VAL 0.104 0.007 19 0 "[ . 1 . 2]"
1 59 ASP 0.012 0.007 12 0 "[ . 1 . 2]"
1 60 GLY 0.320 0.016 18 0 "[ . 1 . 2]"
1 61 GLU 0.315 0.021 16 0 "[ . 1 . 2]"
1 62 TRP 1.053 0.039 16 0 "[ . 1 . 2]"
1 63 THR 0.019 0.011 9 0 "[ . 1 . 2]"
1 64 TYR 0.794 0.058 16 0 "[ . 1 . 2]"
1 65 ASP 0.352 0.032 9 0 "[ . 1 . 2]"
1 66 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 THR 0.097 0.030 16 0 "[ . 1 . 2]"
1 69 LYS 0.565 0.028 17 0 "[ . 1 . 2]"
1 70 THR 0.640 0.037 9 0 "[ . 1 . 2]"
1 71 PHE 0.709 0.060 9 0 "[ . 1 . 2]"
1 72 THR 2.436 0.071 16 0 "[ . 1 . 2]"
1 73 VAL 1.446 0.050 9 0 "[ . 1 . 2]"
1 74 THR 0.137 0.019 9 0 "[ . 1 . 2]"
1 75 GLU 0.306 0.024 8 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 TYR HA 1 2 TYR QD . . 4.340 2.301 1.990 2.825 . 0 0 "[ . 1 . 2]" 1
2 1 2 TYR HA 1 3 VAL QG . . 4.400 3.949 3.779 4.165 . 0 0 "[ . 1 . 2]" 1
3 1 2 TYR QB 1 3 VAL H . . 3.480 2.697 2.430 3.052 . 0 0 "[ . 1 . 2]" 1
4 1 2 TYR QB 1 3 VAL HA . . 4.830 3.986 3.936 4.093 . 0 0 "[ . 1 . 2]" 1
5 1 2 TYR QB 1 11 TYR QD . . 3.610 2.512 2.368 2.611 . 0 0 "[ . 1 . 2]" 1
6 1 2 TYR QB 1 11 TYR HE1 . . 4.610 3.101 2.873 3.526 . 0 0 "[ . 1 . 2]" 1
7 1 2 TYR QB 1 15 GLU HB3 . . 3.900 3.762 3.372 3.910 0.010 14 0 "[ . 1 . 2]" 1
8 1 2 TYR QB 1 16 LEU QD . . 4.950 3.118 2.772 3.817 . 0 0 "[ . 1 . 2]" 1
9 1 2 TYR QB 1 17 SER H . . 5.340 5.317 5.003 5.361 0.021 10 0 "[ . 1 . 2]" 1
10 1 2 TYR QB 1 18 GLY H . . 5.110 4.923 4.619 5.116 0.006 2 0 "[ . 1 . 2]" 1
11 1 2 TYR QB 1 19 THR H . . 5.340 5.200 4.833 5.353 0.013 15 0 "[ . 1 . 2]" 1
12 1 2 TYR HB2 1 3 VAL H . . 4.330 3.967 3.808 4.108 . 0 0 "[ . 1 . 2]" 1
13 1 2 TYR HB2 1 11 TYR HE2 . . 5.390 2.887 2.774 3.051 . 0 0 "[ . 1 . 2]" 1
14 1 2 TYR HB3 1 3 VAL H . . 4.330 2.746 2.459 3.147 . 0 0 "[ . 1 . 2]" 1
15 1 2 TYR HB3 1 11 TYR HE2 . . 5.390 4.307 4.013 4.655 . 0 0 "[ . 1 . 2]" 1
16 1 2 TYR QD 1 3 VAL H . . 4.260 3.459 3.017 4.100 . 0 0 "[ . 1 . 2]" 1
17 1 2 TYR QD 1 11 TYR QB . . 4.500 3.454 2.284 3.806 . 0 0 "[ . 1 . 2]" 1
18 1 2 TYR QD 1 16 LEU H . . 5.500 4.869 4.525 5.359 . 0 0 "[ . 1 . 2]" 1
19 1 2 TYR QD 1 16 LEU HA . . 3.960 2.513 1.999 3.165 . 0 0 "[ . 1 . 2]" 1
20 1 2 TYR QD 1 16 LEU QD . . 4.420 2.866 1.919 3.766 . 0 0 "[ . 1 . 2]" 1
21 1 2 TYR QE 1 16 LEU H . . 5.500 5.211 4.949 5.510 0.010 10 0 "[ . 1 . 2]" 1
22 1 2 TYR QE 1 16 LEU HA . . 3.910 2.726 2.467 2.980 . 0 0 "[ . 1 . 2]" 1
23 1 2 TYR QE 1 16 LEU QD . . 4.630 2.910 2.028 3.932 . 0 0 "[ . 1 . 2]" 1
24 1 3 VAL H 1 3 VAL HB . . 3.540 2.629 2.479 2.817 . 0 0 "[ . 1 . 2]" 1
25 1 3 VAL H 1 3 VAL QG . . 3.550 2.858 2.454 3.091 . 0 0 "[ . 1 . 2]" 1
26 1 3 VAL H 1 4 ASP H . . 4.970 4.254 4.191 4.337 . 0 0 "[ . 1 . 2]" 1
27 1 3 VAL H 1 15 GLU QG . . 5.190 4.900 4.606 5.107 . 0 0 "[ . 1 . 2]" 1
28 1 3 VAL H 1 16 LEU QD . . 5.440 5.169 4.897 5.451 0.011 20 0 "[ . 1 . 2]" 1
29 1 3 VAL H 1 19 THR H . . 5.500 4.955 4.653 5.176 . 0 0 "[ . 1 . 2]" 1
30 1 3 VAL H 1 19 THR HB . . 5.410 4.100 3.925 4.610 . 0 0 "[ . 1 . 2]" 1
31 1 3 VAL H 1 19 THR MG . . 5.500 3.580 3.195 3.878 . 0 0 "[ . 1 . 2]" 1
32 1 3 VAL HA 1 3 VAL QG . . 3.180 2.080 2.005 2.169 . 0 0 "[ . 1 . 2]" 1
33 1 3 VAL HA 1 4 ASP H . . 2.790 2.142 2.112 2.177 . 0 0 "[ . 1 . 2]" 1
34 1 3 VAL HA 1 4 ASP HA . . 5.140 4.411 4.407 4.416 . 0 0 "[ . 1 . 2]" 1
35 1 3 VAL HA 1 4 ASP QB . . 4.320 3.921 3.901 3.939 . 0 0 "[ . 1 . 2]" 1
36 1 3 VAL HA 1 11 TYR HE1 . . 4.020 2.020 1.991 2.155 . 0 0 "[ . 1 . 2]" 1
37 1 3 VAL HB 1 4 ASP H . . 4.480 4.320 4.244 4.404 . 0 0 "[ . 1 . 2]" 1
38 1 3 VAL HB 1 5 THR MG . . 5.190 5.001 4.803 5.213 0.023 11 0 "[ . 1 . 2]" 1
39 1 3 VAL HB 1 19 THR H . . 5.500 5.534 5.515 5.546 0.046 10 0 "[ . 1 . 2]" 1
40 1 3 VAL QG 1 4 ASP H . . 3.470 2.536 2.296 2.775 . 0 0 "[ . 1 . 2]" 1
41 1 3 VAL QG 1 4 ASP HA . . 4.600 3.682 3.619 3.767 . 0 0 "[ . 1 . 2]" 1
42 1 3 VAL QG 1 4 ASP HB2 . . 5.500 4.515 4.412 4.644 . 0 0 "[ . 1 . 2]" 1
43 1 3 VAL QG 1 4 ASP HB3 . . 5.500 4.101 3.938 4.235 . 0 0 "[ . 1 . 2]" 1
44 1 3 VAL QG 1 5 THR H . . 4.630 4.299 4.158 4.376 . 0 0 "[ . 1 . 2]" 1
45 1 3 VAL QG 1 5 THR HA . . 4.030 3.930 3.848 4.040 0.010 5 0 "[ . 1 . 2]" 1
46 1 3 VAL QG 1 5 THR MG . . 3.840 2.688 2.466 2.933 . 0 0 "[ . 1 . 2]" 1
47 1 3 VAL QG 1 6 ASN H . . 5.500 5.276 5.184 5.382 . 0 0 "[ . 1 . 2]" 1
48 1 3 VAL QG 1 15 GLU HA . . 5.500 3.988 3.325 4.436 . 0 0 "[ . 1 . 2]" 1
49 1 3 VAL QG 1 15 GLU HB3 . . 5.500 4.227 3.856 4.468 . 0 0 "[ . 1 . 2]" 1
50 1 3 VAL QG 1 38 CYS HB2 . . 4.570 2.797 2.219 3.931 . 0 0 "[ . 1 . 2]" 1
51 1 3 VAL QG 1 38 CYS QB . . 3.760 2.257 1.828 3.334 . 0 0 "[ . 1 . 2]" 1
52 1 3 VAL QG 1 38 CYS HB3 . . 4.570 2.454 1.873 3.603 . 0 0 "[ . 1 . 2]" 1
53 1 4 ASP H 1 4 ASP HB2 . . 3.340 2.703 2.559 2.781 . 0 0 "[ . 1 . 2]" 1
54 1 4 ASP H 1 4 ASP QB . . 2.920 2.236 2.204 2.277 . 0 0 "[ . 1 . 2]" 1
55 1 4 ASP H 1 4 ASP HB3 . . 3.340 2.389 2.348 2.441 . 0 0 "[ . 1 . 2]" 1
56 1 4 ASP H 1 5 THR H . . 4.870 4.676 4.619 4.689 . 0 0 "[ . 1 . 2]" 1
57 1 4 ASP H 1 5 THR HA . . 5.500 5.136 5.036 5.225 . 0 0 "[ . 1 . 2]" 1
58 1 4 ASP H 1 5 THR MG . . 5.330 4.665 4.394 4.916 . 0 0 "[ . 1 . 2]" 1
59 1 4 ASP H 1 10 ALA H . . 5.500 5.297 4.975 5.519 0.019 10 0 "[ . 1 . 2]" 1
60 1 4 ASP H 1 11 TYR HE1 . . 3.630 2.537 2.019 2.891 . 0 0 "[ . 1 . 2]" 1
61 1 4 ASP HA 1 5 THR H . . 2.740 2.355 2.327 2.372 . 0 0 "[ . 1 . 2]" 1
62 1 4 ASP HA 1 5 THR HA . . 5.070 4.434 4.428 4.438 . 0 0 "[ . 1 . 2]" 1
63 1 4 ASP HA 1 5 THR MG . . 5.200 3.541 3.119 3.846 . 0 0 "[ . 1 . 2]" 1
64 1 4 ASP HA 1 11 TYR QD . . 4.350 3.165 3.002 3.413 . 0 0 "[ . 1 . 2]" 1
65 1 4 ASP HA 1 11 TYR HE1 . . 4.550 4.192 4.020 4.379 . 0 0 "[ . 1 . 2]" 1
66 1 4 ASP HA 1 15 GLU H . . 5.500 4.994 4.932 5.102 . 0 0 "[ . 1 . 2]" 1
67 1 4 ASP HA 1 15 GLU HB3 . . 4.010 2.347 2.194 2.693 . 0 0 "[ . 1 . 2]" 1
68 1 4 ASP HA 1 15 GLU QG . . 3.370 1.979 1.974 1.984 . 0 0 "[ . 1 . 2]" 1
69 1 4 ASP QB 1 5 THR H . . 4.200 3.762 3.727 3.829 . 0 0 "[ . 1 . 2]" 1
70 1 4 ASP QB 1 6 ASN H . . 4.610 3.385 3.302 3.486 . 0 0 "[ . 1 . 2]" 1
71 1 4 ASP QB 1 9 GLY H . . 4.050 2.987 2.763 3.513 . 0 0 "[ . 1 . 2]" 1
72 1 4 ASP QB 1 10 ALA H . . 3.850 2.705 2.460 3.026 . 0 0 "[ . 1 . 2]" 1
73 1 4 ASP QB 1 11 TYR HE1 . . 3.680 3.188 2.919 3.382 . 0 0 "[ . 1 . 2]" 1
74 1 4 ASP HB2 1 7 ASN HA . . 5.500 5.373 5.054 5.511 0.011 9 0 "[ . 1 . 2]" 1
75 1 4 ASP HB3 1 7 ASN HA . . 5.500 3.764 3.448 3.970 . 0 0 "[ . 1 . 2]" 1
76 1 5 THR H 1 5 THR HB . . 3.770 3.624 3.547 3.679 . 0 0 "[ . 1 . 2]" 1
77 1 5 THR H 1 5 THR MG . . 3.260 2.596 2.112 2.887 . 0 0 "[ . 1 . 2]" 1
78 1 5 THR H 1 6 ASN H . . 2.920 2.460 2.405 2.521 . 0 0 "[ . 1 . 2]" 1
79 1 5 THR H 1 6 ASN HB2 . . 5.010 4.674 4.576 4.745 . 0 0 "[ . 1 . 2]" 1
80 1 5 THR H 1 6 ASN HB3 . . 5.500 5.514 5.472 5.554 0.054 20 0 "[ . 1 . 2]" 1
81 1 5 THR H 1 6 ASN QD . . 4.820 3.350 3.199 3.808 . 0 0 "[ . 1 . 2]" 1
82 1 5 THR H 1 15 GLU QG . . 3.190 2.052 1.931 2.443 . 0 0 "[ . 1 . 2]" 1
83 1 5 THR HA 1 5 THR MG . . 3.360 2.420 2.214 2.644 . 0 0 "[ . 1 . 2]" 1
84 1 5 THR HA 1 6 ASN HA . . 5.450 4.450 4.435 4.457 . 0 0 "[ . 1 . 2]" 1
85 1 5 THR HB 1 6 ASN H . . 4.820 4.540 4.421 4.635 . 0 0 "[ . 1 . 2]" 1
86 1 5 THR HB 1 15 GLU QG . . 5.500 4.613 4.413 5.142 . 0 0 "[ . 1 . 2]" 1
87 1 5 THR MG 1 6 ASN H . . 4.550 4.249 4.061 4.395 . 0 0 "[ . 1 . 2]" 1
88 1 5 THR MG 1 15 GLU HA . . 5.500 3.677 3.262 4.353 . 0 0 "[ . 1 . 2]" 1
89 1 5 THR MG 1 15 GLU QG . . 4.090 2.574 2.094 3.037 . 0 0 "[ . 1 . 2]" 1
90 1 6 ASN H 1 6 ASN HB2 . . 3.620 2.723 2.639 2.769 . 0 0 "[ . 1 . 2]" 1
91 1 6 ASN H 1 6 ASN HB3 . . 4.100 3.711 3.701 3.723 . 0 0 "[ . 1 . 2]" 1
92 1 6 ASN H 1 6 ASN QD . . 3.930 3.045 2.984 3.417 . 0 0 "[ . 1 . 2]" 1
93 1 6 ASN H 1 7 ASN QB . . 5.150 4.605 4.318 4.945 . 0 0 "[ . 1 . 2]" 1
94 1 6 ASN HB2 1 7 ASN H . . 4.280 3.068 2.846 3.290 . 0 0 "[ . 1 . 2]" 1
95 1 6 ASN HB2 1 8 ASP H . . 4.800 2.514 2.311 2.678 . 0 0 "[ . 1 . 2]" 1
96 1 6 ASN HB2 1 9 GLY H . . 5.500 4.409 4.213 5.043 . 0 0 "[ . 1 . 2]" 1
97 1 6 ASN HB3 1 7 ASN H . . 4.710 4.212 4.074 4.352 . 0 0 "[ . 1 . 2]" 1
98 1 6 ASN QD 1 8 ASP H . . 5.340 5.282 5.127 5.354 0.014 10 0 "[ . 1 . 2]" 1
99 1 7 ASN H 1 7 ASN HA . . 2.770 2.187 2.174 2.207 . 0 0 "[ . 1 . 2]" 1
100 1 7 ASN H 1 7 ASN QB . . 3.460 3.260 3.058 3.524 0.064 10 0 "[ . 1 . 2]" 1
101 1 7 ASN H 1 7 ASN HD21 . . 5.250 3.725 2.919 4.258 . 0 0 "[ . 1 . 2]" 1
102 1 7 ASN H 1 7 ASN HD22 . . 5.500 4.845 3.853 5.478 . 0 0 "[ . 1 . 2]" 1
103 1 7 ASN H 1 9 GLY H . . 5.080 3.695 3.539 3.878 . 0 0 "[ . 1 . 2]" 1
104 1 7 ASN H 1 9 GLY HA2 . . 5.500 5.482 5.381 5.507 0.007 7 0 "[ . 1 . 2]" 1
105 1 7 ASN HA 1 7 ASN HD22 . . 5.070 3.667 3.279 4.659 . 0 0 "[ . 1 . 2]" 1
106 1 7 ASN HA 1 8 ASP H . . 3.230 3.016 2.961 3.096 . 0 0 "[ . 1 . 2]" 1
107 1 7 ASN HA 1 9 GLY H . . 3.810 3.532 3.102 3.811 0.001 13 0 "[ . 1 . 2]" 1
108 1 7 ASN HD21 1 8 ASP H . . 5.340 4.898 4.184 5.188 . 0 0 "[ . 1 . 2]" 1
109 1 8 ASP H 1 8 ASP HB2 . . 3.690 3.585 2.689 3.669 . 0 0 "[ . 1 . 2]" 1
110 1 8 ASP H 1 8 ASP HB3 . . 3.690 2.641 2.416 3.577 . 0 0 "[ . 1 . 2]" 1
111 1 8 ASP H 1 9 GLY H . . 2.760 2.164 1.983 2.490 . 0 0 "[ . 1 . 2]" 1
112 1 8 ASP H 1 9 GLY HA2 . . 4.850 4.389 4.250 4.602 . 0 0 "[ . 1 . 2]" 1
113 1 8 ASP H 1 9 GLY HA3 . . 5.220 4.819 4.681 4.989 . 0 0 "[ . 1 . 2]" 1
114 1 8 ASP H 1 10 ALA MB . . 5.010 4.771 4.468 4.988 . 0 0 "[ . 1 . 2]" 1
115 1 8 ASP QB 1 9 GLY H . . 4.240 3.635 3.141 4.044 . 0 0 "[ . 1 . 2]" 1
116 1 8 ASP QB 1 10 ALA H . . 4.750 4.047 2.579 4.204 . 0 0 "[ . 1 . 2]" 1
117 1 9 GLY H 1 10 ALA H . . 3.010 2.369 2.193 3.013 0.003 5 0 "[ . 1 . 2]" 1
118 1 9 GLY H 1 10 ALA MB . . 4.580 4.194 4.069 4.509 . 0 0 "[ . 1 . 2]" 1
119 1 9 GLY HA2 1 10 ALA H . . 3.470 2.948 2.870 3.121 . 0 0 "[ . 1 . 2]" 1
120 1 10 ALA H 1 10 ALA MB . . 2.900 2.634 2.583 2.647 . 0 0 "[ . 1 . 2]" 1
121 1 10 ALA H 1 11 TYR H . . 5.280 4.308 4.206 4.386 . 0 0 "[ . 1 . 2]" 1
122 1 10 ALA H 1 11 TYR HA . . 4.970 4.554 4.502 4.593 . 0 0 "[ . 1 . 2]" 1
123 1 10 ALA H 1 11 TYR QD . . 4.840 4.809 4.650 4.842 0.002 14 0 "[ . 1 . 2]" 1
124 1 10 ALA H 1 11 TYR HE1 . . 5.500 5.485 5.262 5.528 0.028 10 0 "[ . 1 . 2]" 1
125 1 10 ALA HA 1 11 TYR H . . 3.410 2.269 2.206 2.383 . 0 0 "[ . 1 . 2]" 1
126 1 10 ALA HA 1 11 TYR QB . . 5.250 4.345 4.305 4.400 . 0 0 "[ . 1 . 2]" 1
127 1 10 ALA HA 1 11 TYR QD . . 5.120 4.314 4.236 4.385 . 0 0 "[ . 1 . 2]" 1
128 1 10 ALA MB 1 11 TYR H . . 3.650 2.955 2.772 3.163 . 0 0 "[ . 1 . 2]" 1
129 1 10 ALA MB 1 12 GLU H . . 5.440 4.726 4.669 4.839 . 0 0 "[ . 1 . 2]" 1
130 1 10 ALA MB 1 12 GLU HB2 . . 5.500 5.372 5.271 5.434 . 0 0 "[ . 1 . 2]" 1
131 1 10 ALA MB 1 12 GLU HB3 . . 5.500 3.972 3.753 4.040 . 0 0 "[ . 1 . 2]" 1
132 1 11 TYR H 1 11 TYR QB . . 3.620 2.331 2.286 2.373 . 0 0 "[ . 1 . 2]" 1
133 1 11 TYR H 1 11 TYR QD . . 4.470 3.182 3.077 3.294 . 0 0 "[ . 1 . 2]" 1
134 1 11 TYR H 1 11 TYR HE1 . . 5.500 5.531 5.510 5.570 0.070 20 0 "[ . 1 . 2]" 1
135 1 11 TYR H 1 11 TYR HE2 . . 5.500 5.107 4.968 5.271 . 0 0 "[ . 1 . 2]" 1
136 1 11 TYR H 1 12 GLU H . . 5.500 4.383 4.327 4.461 . 0 0 "[ . 1 . 2]" 1
137 1 11 TYR H 1 12 GLU HB3 . . 5.500 4.587 4.467 4.695 . 0 0 "[ . 1 . 2]" 1
138 1 11 TYR H 1 15 GLU HB2 . . 5.500 5.127 4.992 5.353 . 0 0 "[ . 1 . 2]" 1
139 1 11 TYR H 1 16 LEU QD . . 5.440 3.876 3.704 4.043 . 0 0 "[ . 1 . 2]" 1
140 1 11 TYR HA 1 11 TYR QD . . 3.680 2.264 2.201 2.332 . 0 0 "[ . 1 . 2]" 1
141 1 11 TYR HA 1 11 TYR HE1 . . 4.930 4.696 4.665 4.733 . 0 0 "[ . 1 . 2]" 1
142 1 11 TYR HA 1 12 GLU H . . 2.910 2.189 2.187 2.192 . 0 0 "[ . 1 . 2]" 1
143 1 11 TYR HA 1 15 GLU H . . 5.060 4.815 4.710 5.018 . 0 0 "[ . 1 . 2]" 1
144 1 11 TYR HA 1 15 GLU HB2 . . 4.720 2.292 2.163 2.567 . 0 0 "[ . 1 . 2]" 1
145 1 11 TYR HA 1 15 GLU HB3 . . 5.500 2.695 2.641 2.770 . 0 0 "[ . 1 . 2]" 1
146 1 11 TYR QB 1 11 TYR HE2 . . 4.670 4.397 4.392 4.402 . 0 0 "[ . 1 . 2]" 1
147 1 11 TYR QB 1 12 GLU H . . 3.860 3.514 3.415 3.550 . 0 0 "[ . 1 . 2]" 1
148 1 11 TYR QB 1 16 LEU QD . . 3.640 1.775 1.705 2.035 . 0 0 "[ . 1 . 2]" 1
149 1 11 TYR QD 1 12 GLU H . . 4.180 4.174 4.140 4.195 0.015 18 0 "[ . 1 . 2]" 1
150 1 11 TYR QD 1 15 GLU H . . 5.500 5.550 5.531 5.612 0.112 20 0 "[ . 1 . 2]" 1
151 1 11 TYR QD 1 15 GLU HA . . 4.950 4.466 4.427 4.557 . 0 0 "[ . 1 . 2]" 1
152 1 11 TYR QD 1 15 GLU HB2 . . 5.500 3.244 3.188 3.418 . 0 0 "[ . 1 . 2]" 1
153 1 11 TYR QD 1 15 GLU HB3 . . 5.450 2.265 2.211 2.300 . 0 0 "[ . 1 . 2]" 1
154 1 11 TYR QD 1 16 LEU QD . . 5.170 3.219 3.026 3.598 . 0 0 "[ . 1 . 2]" 1
155 1 12 GLU H 1 12 GLU HB2 . . 4.040 4.010 3.981 4.038 . 0 0 "[ . 1 . 2]" 1
156 1 12 GLU H 1 12 GLU HG2 . . 4.120 3.687 3.620 3.765 . 0 0 "[ . 1 . 2]" 1
157 1 12 GLU H 1 12 GLU HG3 . . 4.870 4.201 4.136 4.259 . 0 0 "[ . 1 . 2]" 1
158 1 12 GLU H 1 13 GLY QA . . 5.310 4.378 4.335 4.436 . 0 0 "[ . 1 . 2]" 1
159 1 12 GLU H 1 15 GLU H . . 4.300 3.606 3.513 3.837 . 0 0 "[ . 1 . 2]" 1
160 1 12 GLU H 1 15 GLU HA . . 5.200 4.966 4.917 5.070 . 0 0 "[ . 1 . 2]" 1
161 1 12 GLU H 1 15 GLU HB2 . . 3.010 1.981 1.945 2.086 . 0 0 "[ . 1 . 2]" 1
162 1 12 GLU H 1 15 GLU HB3 . . 3.530 3.471 3.374 3.540 0.010 10 0 "[ . 1 . 2]" 1
163 1 12 GLU H 1 15 GLU QG . . 4.130 3.469 3.382 3.527 . 0 0 "[ . 1 . 2]" 1
164 1 12 GLU H 1 16 LEU H . . 5.370 4.664 4.593 4.868 . 0 0 "[ . 1 . 2]" 1
165 1 12 GLU H 1 16 LEU MD1 . . 5.500 3.703 3.480 4.175 . 0 0 "[ . 1 . 2]" 1
166 1 12 GLU H 1 16 LEU QD . . 4.460 3.378 2.501 3.571 . 0 0 "[ . 1 . 2]" 1
167 1 12 GLU H 1 16 LEU MD2 . . 5.500 4.219 2.522 4.478 . 0 0 "[ . 1 . 2]" 1
168 1 12 GLU H 1 16 LEU HG . . 5.100 3.476 3.329 3.783 . 0 0 "[ . 1 . 2]" 1
169 1 12 GLU HA 1 12 GLU HG2 . . 3.980 3.767 3.718 3.776 . 0 0 "[ . 1 . 2]" 1
170 1 12 GLU HA 1 13 GLY H . . 3.510 2.203 2.201 2.204 . 0 0 "[ . 1 . 2]" 1
171 1 12 GLU HA 1 16 LEU H . . 5.500 4.915 4.835 5.079 . 0 0 "[ . 1 . 2]" 1
172 1 12 GLU HA 1 16 LEU MD1 . . 4.520 1.908 1.821 2.005 . 0 0 "[ . 1 . 2]" 1
173 1 12 GLU HA 1 16 LEU QD . . 3.790 1.889 1.818 1.954 . 0 0 "[ . 1 . 2]" 1
174 1 12 GLU HA 1 16 LEU MD2 . . 4.520 3.690 2.197 4.054 . 0 0 "[ . 1 . 2]" 1
175 1 12 GLU HA 1 16 LEU HG . . 3.650 3.162 2.536 3.678 0.028 20 0 "[ . 1 . 2]" 1
176 1 12 GLU HB2 1 12 GLU HG2 . . 2.880 2.421 2.412 2.448 . 0 0 "[ . 1 . 2]" 1
177 1 12 GLU HB2 1 13 GLY H . . 3.700 3.630 3.552 3.668 . 0 0 "[ . 1 . 2]" 1
178 1 12 GLU HB2 1 13 GLY QA . . 5.340 4.343 4.327 4.361 . 0 0 "[ . 1 . 2]" 1
179 1 12 GLU HB3 1 12 GLU HG3 . . 2.720 2.421 2.413 2.448 . 0 0 "[ . 1 . 2]" 1
180 1 12 GLU HB3 1 13 GLY H . . 4.910 4.484 4.463 4.502 . 0 0 "[ . 1 . 2]" 1
181 1 12 GLU HB3 1 16 LEU QD . . 5.440 3.597 3.458 3.914 . 0 0 "[ . 1 . 2]" 1
182 1 12 GLU HG2 1 13 GLY H . . 5.500 4.390 4.234 4.426 . 0 0 "[ . 1 . 2]" 1
183 1 12 GLU HG2 1 13 GLY HA2 . . 5.420 4.910 4.741 4.948 . 0 0 "[ . 1 . 2]" 1
184 1 12 GLU HG2 1 13 GLY QA . . 4.560 3.820 3.692 3.846 . 0 0 "[ . 1 . 2]" 1
185 1 12 GLU HG2 1 13 GLY HA3 . . 5.420 3.983 3.850 4.013 . 0 0 "[ . 1 . 2]" 1
186 1 12 GLU HG3 1 13 GLY QA . . 5.340 5.342 5.228 5.364 0.024 2 0 "[ . 1 . 2]" 1
187 1 13 GLY H 1 15 GLU H . . 4.920 4.117 4.047 4.224 . 0 0 "[ . 1 . 2]" 1
188 1 13 GLY H 1 15 GLU HB2 . . 5.280 4.575 4.466 4.660 . 0 0 "[ . 1 . 2]" 1
189 1 13 GLY H 1 16 LEU QD . . 3.760 1.940 1.767 2.070 . 0 0 "[ . 1 . 2]" 1
190 1 13 GLY H 1 16 LEU HG . . 3.980 3.437 2.107 3.972 . 0 0 "[ . 1 . 2]" 1
191 1 13 GLY QA 1 14 ASP QB . . 5.030 4.070 3.857 4.395 . 0 0 "[ . 1 . 2]" 1
192 1 13 GLY QA 1 15 GLU H . . 3.790 3.307 3.231 3.350 . 0 0 "[ . 1 . 2]" 1
193 1 13 GLY QA 1 15 GLU HB2 . . 5.340 4.767 4.541 4.852 . 0 0 "[ . 1 . 2]" 1
194 1 13 GLY QA 1 15 GLU QG . . 5.210 4.234 4.159 4.297 . 0 0 "[ . 1 . 2]" 1
195 1 13 GLY QA 1 16 LEU H . . 5.340 4.237 4.199 4.385 . 0 0 "[ . 1 . 2]" 1
196 1 13 GLY QA 1 16 LEU HG . . 5.340 4.889 3.576 5.171 . 0 0 "[ . 1 . 2]" 1
197 1 14 ASP H 1 15 GLU H . . 3.780 2.403 2.401 2.407 . 0 0 "[ . 1 . 2]" 1
198 1 14 ASP H 1 15 GLU QG . . 5.500 3.390 3.355 3.554 . 0 0 "[ . 1 . 2]" 1
199 1 14 ASP HA 1 16 LEU H . . 4.510 3.296 3.269 3.318 . 0 0 "[ . 1 . 2]" 1
200 1 14 ASP QB 1 16 LEU H . . 5.310 4.424 4.327 4.547 . 0 0 "[ . 1 . 2]" 1
201 1 15 GLU H 1 15 GLU HB2 . . 3.080 2.565 2.476 2.587 . 0 0 "[ . 1 . 2]" 1
202 1 15 GLU H 1 15 GLU HB3 . . 3.760 3.559 3.548 3.567 . 0 0 "[ . 1 . 2]" 1
203 1 15 GLU H 1 15 GLU QG . . 2.750 1.935 1.922 2.050 . 0 0 "[ . 1 . 2]" 1
204 1 15 GLU H 1 16 LEU H . . 3.130 2.631 2.605 2.709 . 0 0 "[ . 1 . 2]" 1
205 1 15 GLU H 1 16 LEU HB2 . . 5.250 4.804 4.580 5.267 0.017 20 0 "[ . 1 . 2]" 1
206 1 15 GLU H 1 16 LEU MD1 . . 5.500 4.583 3.330 4.866 . 0 0 "[ . 1 . 2]" 1
207 1 15 GLU H 1 16 LEU QD . . 4.590 4.256 3.302 4.448 . 0 0 "[ . 1 . 2]" 1
208 1 15 GLU H 1 16 LEU MD2 . . 5.500 5.270 3.723 5.501 0.001 19 0 "[ . 1 . 2]" 1
209 1 15 GLU H 1 16 LEU HG . . 5.280 4.111 3.366 4.267 . 0 0 "[ . 1 . 2]" 1
210 1 15 GLU HA 1 15 GLU QG . . 3.170 2.512 2.418 2.540 . 0 0 "[ . 1 . 2]" 1
211 1 15 GLU HA 1 16 LEU HG . . 5.500 4.860 4.708 4.945 . 0 0 "[ . 1 . 2]" 1
212 1 15 GLU HA 1 17 SER H . . 5.140 3.525 3.378 3.632 . 0 0 "[ . 1 . 2]" 1
213 1 15 GLU HB2 1 16 LEU H . . 4.660 3.489 3.327 3.586 . 0 0 "[ . 1 . 2]" 1
214 1 15 GLU HB2 1 16 LEU QD . . 5.440 3.549 2.352 3.835 . 0 0 "[ . 1 . 2]" 1
215 1 15 GLU HB3 1 16 LEU H . . 5.010 4.360 4.188 4.421 . 0 0 "[ . 1 . 2]" 1
216 1 15 GLU HB3 1 16 LEU HA . . 4.950 4.846 4.674 4.908 . 0 0 "[ . 1 . 2]" 1
217 1 15 GLU HB3 1 16 LEU QD . . 5.440 4.289 3.475 4.550 . 0 0 "[ . 1 . 2]" 1
218 1 15 GLU HB3 1 16 LEU HG . . 5.500 4.280 3.879 4.968 . 0 0 "[ . 1 . 2]" 1
219 1 15 GLU QG 1 16 LEU H . . 5.500 4.183 4.169 4.278 . 0 0 "[ . 1 . 2]" 1
220 1 15 GLU QG 1 17 SER H . . 5.500 5.346 5.241 5.473 . 0 0 "[ . 1 . 2]" 1
221 1 16 LEU H 1 16 LEU HB2 . . 3.760 2.564 2.469 2.865 . 0 0 "[ . 1 . 2]" 1
222 1 16 LEU H 1 16 LEU MD1 . . 4.830 3.571 2.389 3.911 . 0 0 "[ . 1 . 2]" 1
223 1 16 LEU H 1 16 LEU QD . . 3.950 3.283 2.372 3.471 . 0 0 "[ . 1 . 2]" 1
224 1 16 LEU H 1 16 LEU MD2 . . 4.830 3.954 3.062 4.113 . 0 0 "[ . 1 . 2]" 1
225 1 16 LEU H 1 16 LEU HG . . 4.630 2.848 2.081 3.096 . 0 0 "[ . 1 . 2]" 1
226 1 16 LEU H 1 17 SER H . . 3.480 2.671 2.434 3.030 . 0 0 "[ . 1 . 2]" 1
227 1 16 LEU H 1 17 SER HA . . 5.500 4.442 4.361 4.537 . 0 0 "[ . 1 . 2]" 1
228 1 16 LEU H 1 17 SER HB2 . . 5.500 4.353 3.825 5.497 . 0 0 "[ . 1 . 2]" 1
229 1 16 LEU H 1 17 SER HB3 . . 5.500 4.903 3.883 5.509 0.009 12 0 "[ . 1 . 2]" 1
230 1 16 LEU HA 1 16 LEU HB3 . . 3.010 2.452 2.273 2.523 . 0 0 "[ . 1 . 2]" 1
231 1 16 LEU HA 1 16 LEU MD1 . . 3.980 3.912 3.840 3.997 0.017 18 0 "[ . 1 . 2]" 1
232 1 16 LEU HA 1 16 LEU QD . . 3.180 2.321 2.043 3.039 . 0 0 "[ . 1 . 2]" 1
233 1 16 LEU HA 1 16 LEU MD2 . . 3.980 2.343 2.051 3.185 . 0 0 "[ . 1 . 2]" 1
234 1 16 LEU HB2 1 17 SER H . . 4.400 4.211 4.044 4.350 . 0 0 "[ . 1 . 2]" 1
235 1 16 LEU HB2 1 17 SER HA . . 5.500 4.709 4.466 4.790 . 0 0 "[ . 1 . 2]" 1
236 1 16 LEU HB3 1 17 SER H . . 4.850 4.552 4.504 4.669 . 0 0 "[ . 1 . 2]" 1
237 1 16 LEU HB3 1 17 SER HA . . 5.500 4.928 4.783 5.295 . 0 0 "[ . 1 . 2]" 1
238 1 16 LEU HB3 1 18 GLY H . . 5.460 5.247 5.058 5.424 . 0 0 "[ . 1 . 2]" 1
239 1 16 LEU QD 1 17 SER H . . 4.630 4.515 4.316 4.571 . 0 0 "[ . 1 . 2]" 1
240 1 16 LEU MD1 1 17 SER H . . 5.500 5.462 4.907 5.519 0.019 10 0 "[ . 1 . 2]" 1
241 1 16 LEU MD2 1 17 SER H . . 5.500 4.833 4.508 5.436 . 0 0 "[ . 1 . 2]" 1
242 1 16 LEU HG 1 17 SER H . . 5.500 4.828 4.636 4.901 . 0 0 "[ . 1 . 2]" 1
243 1 17 SER H 1 17 SER HB2 . . 3.840 2.696 2.437 3.603 . 0 0 "[ . 1 . 2]" 1
244 1 17 SER H 1 17 SER HB3 . . 3.840 2.750 2.349 3.618 . 0 0 "[ . 1 . 2]" 1
245 1 17 SER H 1 18 GLY H . . 3.650 2.239 2.218 2.244 . 0 0 "[ . 1 . 2]" 1
246 1 17 SER HA 1 18 GLY H . . 3.560 3.498 3.497 3.501 . 0 0 "[ . 1 . 2]" 1
247 1 17 SER QB 1 18 GLY H . . 3.630 3.109 3.037 3.673 0.043 1 0 "[ . 1 . 2]" 1
248 1 17 SER QB 1 40 VAL QG . . 5.280 3.888 3.292 4.861 . 0 0 "[ . 1 . 2]" 1
249 1 17 SER HB2 1 18 GLY H . . 4.280 3.921 3.141 4.306 0.026 1 0 "[ . 1 . 2]" 1
250 1 17 SER HB3 1 18 GLY H . . 4.280 3.440 3.129 4.231 . 0 0 "[ . 1 . 2]" 1
251 1 18 GLY H 1 19 THR H . . 3.890 3.766 3.367 3.907 0.017 10 0 "[ . 1 . 2]" 1
252 1 18 GLY H 1 19 THR MG . . 5.500 5.215 4.993 5.387 . 0 0 "[ . 1 . 2]" 1
253 1 18 GLY H 1 40 VAL QG . . 5.440 4.697 4.386 5.155 . 0 0 "[ . 1 . 2]" 1
254 1 18 GLY QA 1 40 VAL QG . . 4.850 4.853 4.647 4.888 0.038 15 0 "[ . 1 . 2]" 1
255 1 19 THR H 1 19 THR HB . . 2.980 2.839 2.737 2.985 0.005 20 0 "[ . 1 . 2]" 1
256 1 19 THR H 1 19 THR MG . . 3.950 3.869 3.778 3.947 . 0 0 "[ . 1 . 2]" 1
257 1 19 THR H 1 20 MET H . . 4.710 4.459 4.411 4.499 . 0 0 "[ . 1 . 2]" 1
258 1 19 THR H 1 20 MET HA . . 4.920 4.784 4.647 4.938 0.018 16 0 "[ . 1 . 2]" 1
259 1 19 THR H 1 20 MET HG2 . . 5.500 5.526 5.506 5.540 0.040 17 0 "[ . 1 . 2]" 1
260 1 19 THR H 1 20 MET HG3 . . 5.240 5.244 5.029 5.264 0.024 8 0 "[ . 1 . 2]" 1
261 1 19 THR HA 1 19 THR MG . . 3.220 2.167 2.072 2.256 . 0 0 "[ . 1 . 2]" 1
262 1 19 THR HA 1 20 MET H . . 2.630 2.550 2.449 2.682 0.052 10 0 "[ . 1 . 2]" 1
263 1 19 THR HA 1 20 MET HB2 . . 4.840 4.601 4.498 4.740 . 0 0 "[ . 1 . 2]" 1
264 1 19 THR HA 1 20 MET HG2 . . 5.500 4.504 4.315 4.645 . 0 0 "[ . 1 . 2]" 1
265 1 19 THR HA 1 20 MET HG3 . . 5.290 3.351 3.180 3.507 . 0 0 "[ . 1 . 2]" 1
266 1 19 THR HA 1 39 ALA H . . 4.970 4.894 4.761 4.997 0.027 5 0 "[ . 1 . 2]" 1
267 1 19 THR HA 1 40 VAL HA . . 3.890 2.502 2.257 2.708 . 0 0 "[ . 1 . 2]" 1
268 1 19 THR HA 1 40 VAL HB . . 5.100 4.760 4.447 5.166 0.066 16 0 "[ . 1 . 2]" 1
269 1 19 THR HB 1 20 MET H . . 3.350 3.175 2.930 3.357 0.007 17 0 "[ . 1 . 2]" 1
270 1 19 THR HB 1 21 GLU H . . 5.500 5.410 5.283 5.507 0.007 15 0 "[ . 1 . 2]" 1
271 1 19 THR HB 1 38 CYS HA . . 5.500 4.904 4.736 5.245 . 0 0 "[ . 1 . 2]" 1
272 1 19 THR HB 1 38 CYS QB . . 4.550 3.181 2.730 3.657 . 0 0 "[ . 1 . 2]" 1
273 1 19 THR HB 1 39 ALA H . . 4.760 4.387 4.259 4.564 . 0 0 "[ . 1 . 2]" 1
274 1 19 THR HB 1 39 ALA HA . . 5.500 5.484 5.313 5.519 0.019 4 0 "[ . 1 . 2]" 1
275 1 19 THR MG 1 20 MET H . . 3.380 1.966 1.899 2.218 . 0 0 "[ . 1 . 2]" 1
276 1 19 THR MG 1 21 GLU H . . 5.420 5.231 5.033 5.433 0.013 15 0 "[ . 1 . 2]" 1
277 1 19 THR MG 1 38 CYS QB . . 4.360 2.515 2.297 2.750 . 0 0 "[ . 1 . 2]" 1
278 1 19 THR MG 1 39 ALA H . . 3.830 2.445 2.206 2.805 . 0 0 "[ . 1 . 2]" 1
279 1 19 THR MG 1 39 ALA HA . . 3.640 2.842 2.723 2.937 . 0 0 "[ . 1 . 2]" 1
280 1 19 THR MG 1 40 VAL HA . . 3.090 1.965 1.958 1.978 . 0 0 "[ . 1 . 2]" 1
281 1 20 MET H 1 20 MET HB2 . . 3.210 2.573 2.447 2.725 . 0 0 "[ . 1 . 2]" 1
282 1 20 MET H 1 20 MET HB3 . . 3.930 3.712 3.638 3.809 . 0 0 "[ . 1 . 2]" 1
283 1 20 MET H 1 20 MET HG2 . . 3.970 3.814 3.645 3.989 0.019 16 0 "[ . 1 . 2]" 1
284 1 20 MET H 1 20 MET HG3 . . 3.930 2.863 2.563 3.106 . 0 0 "[ . 1 . 2]" 1
285 1 20 MET H 1 21 GLU H . . 4.600 4.374 4.291 4.453 . 0 0 "[ . 1 . 2]" 1
286 1 20 MET H 1 22 TYR QD . . 5.340 5.239 4.922 5.347 0.007 5 0 "[ . 1 . 2]" 1
287 1 20 MET H 1 22 TYR QE . . 3.790 3.547 3.303 3.685 . 0 0 "[ . 1 . 2]" 1
288 1 20 MET H 1 38 CYS HA . . 4.470 4.281 4.068 4.426 . 0 0 "[ . 1 . 2]" 1
289 1 20 MET H 1 38 CYS QB . . 4.270 4.194 3.636 4.290 0.020 19 0 "[ . 1 . 2]" 1
290 1 20 MET H 1 39 ALA H . . 3.260 2.682 2.509 2.869 . 0 0 "[ . 1 . 2]" 1
291 1 20 MET H 1 39 ALA MB . . 4.490 4.191 4.079 4.276 . 0 0 "[ . 1 . 2]" 1
292 1 20 MET H 1 40 VAL HA . . 4.290 3.319 3.106 3.642 . 0 0 "[ . 1 . 2]" 1
293 1 20 MET H 1 45 ALA MB . . 5.500 5.357 5.172 5.501 0.001 15 0 "[ . 1 . 2]" 1
294 1 20 MET HA 1 20 MET HG2 . . 3.890 2.484 2.413 2.618 . 0 0 "[ . 1 . 2]" 1
295 1 20 MET HA 1 20 MET HG3 . . 3.830 3.162 3.123 3.211 . 0 0 "[ . 1 . 2]" 1
296 1 20 MET HA 1 21 GLU H . . 2.630 2.223 2.217 2.243 . 0 0 "[ . 1 . 2]" 1
297 1 20 MET HA 1 39 ALA H . . 4.820 4.614 4.538 4.713 . 0 0 "[ . 1 . 2]" 1
298 1 20 MET HB2 1 21 GLU H . . 4.610 4.254 4.175 4.313 . 0 0 "[ . 1 . 2]" 1
299 1 20 MET HB2 1 22 TYR QE . . 4.340 2.284 2.019 2.528 . 0 0 "[ . 1 . 2]" 1
300 1 20 MET HB2 1 39 ALA H . . 4.190 3.479 3.348 3.690 . 0 0 "[ . 1 . 2]" 1
301 1 20 MET HB2 1 40 VAL HA . . 5.240 4.737 4.509 5.069 . 0 0 "[ . 1 . 2]" 1
302 1 20 MET HB3 1 21 GLU H . . 4.370 3.357 3.242 3.398 . 0 0 "[ . 1 . 2]" 1
303 1 20 MET HB3 1 22 TYR QE . . 4.830 3.135 2.923 3.299 . 0 0 "[ . 1 . 2]" 1
304 1 20 MET HB3 1 39 ALA H . . 5.070 4.672 4.502 4.922 . 0 0 "[ . 1 . 2]" 1
305 1 20 MET HB3 1 69 LYS QD . . 5.340 5.260 4.846 5.359 0.019 16 0 "[ . 1 . 2]" 1
306 1 20 MET HB3 1 69 LYS HE2 . . 5.500 4.594 3.340 5.500 . 0 0 "[ . 1 . 2]" 1
307 1 20 MET HB3 1 69 LYS QE . . 4.840 3.835 3.239 4.760 . 0 0 "[ . 1 . 2]" 1
308 1 20 MET HB3 1 69 LYS HE3 . . 5.500 4.523 3.378 5.395 . 0 0 "[ . 1 . 2]" 1
309 1 20 MET HB3 1 69 LYS QG . . 4.950 3.874 3.517 4.261 . 0 0 "[ . 1 . 2]" 1
310 1 20 MET HG2 1 21 GLU H . . 4.670 4.424 4.327 4.630 . 0 0 "[ . 1 . 2]" 1
311 1 20 MET HG2 1 22 TYR QE . . 5.500 4.907 4.762 5.042 . 0 0 "[ . 1 . 2]" 1
312 1 20 MET HG2 1 69 LYS QG . . 5.340 5.359 5.349 5.368 0.028 17 0 "[ . 1 . 2]" 1
313 1 20 MET HG3 1 21 GLU H . . 5.500 5.223 5.172 5.255 . 0 0 "[ . 1 . 2]" 1
314 1 20 MET HG3 1 22 TYR QE . . 5.500 4.487 4.290 4.663 . 0 0 "[ . 1 . 2]" 1
315 1 20 MET HG3 1 39 ALA MB . . 5.450 5.415 5.174 5.470 0.020 1 0 "[ . 1 . 2]" 1
316 1 21 GLU H 1 21 GLU HB2 . . 4.100 3.087 3.012 3.146 . 0 0 "[ . 1 . 2]" 1
317 1 21 GLU H 1 21 GLU HB3 . . 2.910 2.283 2.225 2.325 . 0 0 "[ . 1 . 2]" 1
318 1 21 GLU H 1 21 GLU HG2 . . 5.150 4.179 4.006 4.453 . 0 0 "[ . 1 . 2]" 1
319 1 21 GLU H 1 21 GLU QG . . 4.350 3.873 3.751 4.080 . 0 0 "[ . 1 . 2]" 1
320 1 21 GLU H 1 21 GLU HG3 . . 5.150 4.584 4.468 4.736 . 0 0 "[ . 1 . 2]" 1
321 1 21 GLU H 1 22 TYR H . . 4.730 4.499 4.440 4.588 . 0 0 "[ . 1 . 2]" 1
322 1 21 GLU H 1 22 TYR QD . . 5.160 4.814 4.673 4.960 . 0 0 "[ . 1 . 2]" 1
323 1 21 GLU H 1 22 TYR QE . . 5.080 4.797 4.607 5.000 . 0 0 "[ . 1 . 2]" 1
324 1 21 GLU H 1 38 CYS HA . . 4.800 4.512 4.438 4.557 . 0 0 "[ . 1 . 2]" 1
325 1 21 GLU HA 1 21 GLU QG . . 3.510 2.637 2.607 2.695 . 0 0 "[ . 1 . 2]" 1
326 1 21 GLU HA 1 22 TYR H . . 2.630 2.241 2.213 2.320 . 0 0 "[ . 1 . 2]" 1
327 1 21 GLU HA 1 22 TYR HB2 . . 4.700 4.575 4.465 4.657 . 0 0 "[ . 1 . 2]" 1
328 1 21 GLU HA 1 22 TYR QD . . 4.730 3.077 2.835 3.227 . 0 0 "[ . 1 . 2]" 1
329 1 21 GLU HA 1 37 THR H . . 4.780 4.312 4.167 4.591 . 0 0 "[ . 1 . 2]" 1
330 1 21 GLU HA 1 38 CYS HA . . 3.480 2.119 2.007 2.177 . 0 0 "[ . 1 . 2]" 1
331 1 21 GLU HB2 1 22 TYR H . . 4.270 4.061 3.848 4.151 . 0 0 "[ . 1 . 2]" 1
332 1 21 GLU HB2 1 38 CYS H . . 5.500 5.526 5.505 5.564 0.064 19 0 "[ . 1 . 2]" 1
333 1 21 GLU HB2 1 38 CYS HA . . 4.090 3.683 3.560 3.938 . 0 0 "[ . 1 . 2]" 1
334 1 21 GLU HB3 1 22 TYR H . . 4.650 4.385 4.193 4.458 . 0 0 "[ . 1 . 2]" 1
335 1 21 GLU QG 1 22 TYR H . . 3.580 2.598 2.124 2.809 . 0 0 "[ . 1 . 2]" 1
336 1 21 GLU QG 1 36 THR HB . . 3.690 2.765 2.644 3.025 . 0 0 "[ . 1 . 2]" 1
337 1 21 GLU QG 1 36 THR MG . . 4.350 3.935 3.827 4.188 . 0 0 "[ . 1 . 2]" 1
338 1 21 GLU QG 1 37 THR H . . 3.850 3.374 3.226 3.682 . 0 0 "[ . 1 . 2]" 1
339 1 21 GLU QG 1 38 CYS H . . 5.340 5.154 5.064 5.332 . 0 0 "[ . 1 . 2]" 1
340 1 21 GLU HG2 1 36 THR HB . . 4.280 3.369 2.756 3.924 . 0 0 "[ . 1 . 2]" 1
341 1 21 GLU HG2 1 36 THR MG . . 4.970 4.480 4.217 4.848 . 0 0 "[ . 1 . 2]" 1
342 1 21 GLU HG3 1 36 THR HB . . 4.280 3.103 2.761 3.698 . 0 0 "[ . 1 . 2]" 1
343 1 21 GLU HG3 1 36 THR MG . . 4.970 4.372 4.237 4.580 . 0 0 "[ . 1 . 2]" 1
344 1 22 TYR H 1 22 TYR HB2 . . 3.260 2.570 2.512 2.670 . 0 0 "[ . 1 . 2]" 1
345 1 22 TYR H 1 22 TYR HB3 . . 3.870 3.675 3.628 3.761 . 0 0 "[ . 1 . 2]" 1
346 1 22 TYR H 1 22 TYR QD . . 3.340 2.335 1.946 2.729 . 0 0 "[ . 1 . 2]" 1
347 1 22 TYR H 1 22 TYR QE . . 4.750 4.461 4.177 4.771 0.021 3 0 "[ . 1 . 2]" 1
348 1 22 TYR H 1 36 THR HA . . 4.910 4.529 4.332 4.647 . 0 0 "[ . 1 . 2]" 1
349 1 22 TYR H 1 36 THR HB . . 4.200 4.100 3.736 4.219 0.019 17 0 "[ . 1 . 2]" 1
350 1 22 TYR H 1 36 THR MG . . 5.500 5.417 5.007 5.510 0.010 15 0 "[ . 1 . 2]" 1
351 1 22 TYR H 1 37 THR HA . . 4.750 4.632 4.474 4.718 . 0 0 "[ . 1 . 2]" 1
352 1 22 TYR H 1 37 THR HB . . 5.500 5.337 5.178 5.504 0.004 3 0 "[ . 1 . 2]" 1
353 1 22 TYR H 1 37 THR MG . . 3.710 3.217 2.966 3.431 . 0 0 "[ . 1 . 2]" 1
354 1 22 TYR H 1 38 CYS HA . . 3.630 3.343 3.103 3.430 . 0 0 "[ . 1 . 2]" 1
355 1 22 TYR H 1 39 ALA MB . . 5.500 5.188 4.959 5.503 0.003 1 0 "[ . 1 . 2]" 1
356 1 22 TYR HA 1 22 TYR QD . . 4.020 3.149 3.025 3.287 . 0 0 "[ . 1 . 2]" 1
357 1 22 TYR HA 1 23 LYS H . . 2.590 2.316 2.300 2.321 . 0 0 "[ . 1 . 2]" 1
358 1 22 TYR HA 1 37 THR MG . . 5.030 4.897 4.752 5.040 0.010 3 0 "[ . 1 . 2]" 1
359 1 22 TYR HA 1 69 LYS HA . . 4.980 4.929 4.848 4.983 0.003 5 0 "[ . 1 . 2]" 1
360 1 22 TYR HA 1 69 LYS QB . . 3.270 2.741 2.585 2.887 . 0 0 "[ . 1 . 2]" 1
361 1 22 TYR HA 1 69 LYS QG . . 4.970 4.574 4.358 4.770 . 0 0 "[ . 1 . 2]" 1
362 1 22 TYR HB2 1 23 LYS H . . 3.990 3.864 3.802 3.931 . 0 0 "[ . 1 . 2]" 1
363 1 22 TYR HB2 1 24 LEU H . . 5.200 5.084 5.023 5.217 0.017 3 0 "[ . 1 . 2]" 1
364 1 22 TYR HB2 1 37 THR H . . 4.000 3.353 3.142 3.453 . 0 0 "[ . 1 . 2]" 1
365 1 22 TYR HB2 1 37 THR MG . . 3.910 2.461 2.247 2.619 . 0 0 "[ . 1 . 2]" 1
366 1 22 TYR HB2 1 45 ALA MB . . 3.990 3.312 3.050 3.539 . 0 0 "[ . 1 . 2]" 1
367 1 22 TYR HB3 1 23 LYS H . . 3.280 2.970 2.941 3.011 . 0 0 "[ . 1 . 2]" 1
368 1 22 TYR HB3 1 37 THR H . . 4.870 4.755 4.537 4.848 . 0 0 "[ . 1 . 2]" 1
369 1 22 TYR HB3 1 37 THR MG . . 4.220 3.920 3.719 4.044 . 0 0 "[ . 1 . 2]" 1
370 1 22 TYR HB3 1 45 ALA MB . . 4.520 3.995 3.693 4.256 . 0 0 "[ . 1 . 2]" 1
371 1 22 TYR HB3 1 69 LYS QB . . 5.060 3.526 3.351 3.732 . 0 0 "[ . 1 . 2]" 1
372 1 22 TYR HB3 1 70 THR H . . 5.500 5.465 5.344 5.511 0.011 6 0 "[ . 1 . 2]" 1
373 1 22 TYR HB3 1 71 PHE QE . . 4.270 1.995 1.975 1.998 . 0 0 "[ . 1 . 2]" 1
374 1 22 TYR QD 1 23 LYS H . . 4.840 4.340 4.215 4.485 . 0 0 "[ . 1 . 2]" 1
375 1 22 TYR QD 1 38 CYS H . . 5.300 4.898 4.688 5.067 . 0 0 "[ . 1 . 2]" 1
376 1 22 TYR QD 1 38 CYS HA . . 4.870 3.107 2.729 3.415 . 0 0 "[ . 1 . 2]" 1
377 1 22 TYR QD 1 39 ALA H . . 3.490 3.384 3.070 3.497 0.007 12 0 "[ . 1 . 2]" 1
378 1 22 TYR QD 1 39 ALA MB . . 4.490 3.344 3.075 3.567 . 0 0 "[ . 1 . 2]" 1
379 1 22 TYR QD 1 42 ALA MB . . 4.250 4.207 4.000 4.267 0.017 16 0 "[ . 1 . 2]" 1
380 1 22 TYR QD 1 45 ALA MB . . 4.150 2.482 2.186 2.856 . 0 0 "[ . 1 . 2]" 1
381 1 22 TYR QD 1 64 TYR QE . . 4.510 2.813 2.588 3.026 . 0 0 "[ . 1 . 2]" 1
382 1 22 TYR QD 1 69 LYS QB . . 4.000 1.988 1.969 2.067 . 0 0 "[ . 1 . 2]" 1
383 1 22 TYR QD 1 69 LYS QG . . 4.700 3.316 2.426 4.131 . 0 0 "[ . 1 . 2]" 1
384 1 22 TYR QE 1 39 ALA H . . 3.680 2.442 2.166 2.693 . 0 0 "[ . 1 . 2]" 1
385 1 22 TYR QE 1 39 ALA MB . . 4.330 2.387 2.040 2.729 . 0 0 "[ . 1 . 2]" 1
386 1 22 TYR QE 1 42 ALA MB . . 4.240 2.575 2.125 2.841 . 0 0 "[ . 1 . 2]" 1
387 1 22 TYR QE 1 45 ALA MB . . 4.970 2.566 2.332 2.851 . 0 0 "[ . 1 . 2]" 1
388 1 22 TYR QE 1 69 LYS HD2 . . 5.390 3.947 2.964 5.395 0.005 14 0 "[ . 1 . 2]" 1
389 1 22 TYR QE 1 69 LYS QD . . 4.590 3.710 2.933 4.593 0.003 17 0 "[ . 1 . 2]" 1
390 1 22 TYR QE 1 69 LYS HD3 . . 5.390 4.804 4.486 5.137 . 0 0 "[ . 1 . 2]" 1
391 1 22 TYR QE 1 69 LYS QG . . 4.330 2.945 1.788 4.125 . 0 0 "[ . 1 . 2]" 1
392 1 23 LYS H 1 23 LYS HB2 . . 3.020 2.716 2.506 3.143 0.123 3 0 "[ . 1 . 2]" 1
393 1 23 LYS H 1 23 LYS HB3 . . 3.020 2.657 2.309 2.858 . 0 0 "[ . 1 . 2]" 1
394 1 23 LYS H 1 23 LYS QD . . 5.500 4.750 4.506 5.082 . 0 0 "[ . 1 . 2]" 1
395 1 23 LYS H 1 23 LYS QG . . 4.510 3.944 3.767 4.010 . 0 0 "[ . 1 . 2]" 1
396 1 23 LYS H 1 24 LEU H . . 4.470 4.352 4.346 4.379 . 0 0 "[ . 1 . 2]" 1
397 1 23 LYS H 1 24 LEU HA . . 5.060 4.916 4.896 4.929 . 0 0 "[ . 1 . 2]" 1
398 1 23 LYS H 1 25 ILE MD . . 5.320 5.177 4.807 5.322 0.002 7 0 "[ . 1 . 2]" 1
399 1 23 LYS H 1 36 THR HA . . 4.940 4.707 4.671 4.739 . 0 0 "[ . 1 . 2]" 1
400 1 23 LYS H 1 36 THR HB . . 5.010 4.875 4.835 4.932 . 0 0 "[ . 1 . 2]" 1
401 1 23 LYS H 1 69 LYS HA . . 5.500 5.254 5.128 5.335 . 0 0 "[ . 1 . 2]" 1
402 1 23 LYS H 1 69 LYS QB . . 5.400 3.987 3.859 4.088 . 0 0 "[ . 1 . 2]" 1
403 1 23 LYS H 1 70 THR H . . 4.710 4.697 4.607 4.739 0.029 19 0 "[ . 1 . 2]" 1
404 1 23 LYS H 1 70 THR HA . . 3.090 2.327 2.224 2.405 . 0 0 "[ . 1 . 2]" 1
405 1 23 LYS H 1 70 THR HB . . 5.060 4.733 4.555 4.829 . 0 0 "[ . 1 . 2]" 1
406 1 23 LYS H 1 70 THR MG . . 3.890 3.604 3.431 3.758 . 0 0 "[ . 1 . 2]" 1
407 1 23 LYS H 1 71 PHE H . . 3.960 3.831 3.745 3.925 . 0 0 "[ . 1 . 2]" 1
408 1 23 LYS H 1 71 PHE QD . . 4.290 3.630 3.495 4.350 0.060 9 0 "[ . 1 . 2]" 1
409 1 23 LYS H 1 71 PHE QE . . 5.210 4.139 3.932 4.306 . 0 0 "[ . 1 . 2]" 1
410 1 23 LYS HA 1 23 LYS QG . . 3.690 2.351 2.177 2.810 . 0 0 "[ . 1 . 2]" 1
411 1 23 LYS HA 1 24 LEU H . . 2.540 2.177 2.176 2.178 . 0 0 "[ . 1 . 2]" 1
412 1 23 LYS HA 1 24 LEU HB2 . . 5.040 4.632 4.598 4.700 . 0 0 "[ . 1 . 2]" 1
413 1 23 LYS HA 1 25 ILE MD . . 5.470 4.955 4.681 5.073 . 0 0 "[ . 1 . 2]" 1
414 1 23 LYS HA 1 35 THR H . . 4.690 4.526 4.462 4.657 . 0 0 "[ . 1 . 2]" 1
415 1 23 LYS HA 1 36 THR H . . 4.710 4.727 4.675 4.767 0.057 10 0 "[ . 1 . 2]" 1
416 1 23 LYS HA 1 36 THR HA . . 3.200 2.263 2.203 2.329 . 0 0 "[ . 1 . 2]" 1
417 1 23 LYS HA 1 36 THR HB . . 4.600 2.939 2.842 3.024 . 0 0 "[ . 1 . 2]" 1
418 1 23 LYS HA 1 36 THR MG . . 3.590 2.372 1.979 2.586 . 0 0 "[ . 1 . 2]" 1
419 1 23 LYS HA 1 37 THR H . . 3.850 3.783 3.639 3.860 0.010 10 0 "[ . 1 . 2]" 1
420 1 23 LYS HA 1 71 PHE H . . 5.490 5.045 4.984 5.117 . 0 0 "[ . 1 . 2]" 1
421 1 23 LYS QB 1 36 THR HA . . 4.680 4.347 4.106 4.495 . 0 0 "[ . 1 . 2]" 1
422 1 23 LYS QB 1 36 THR HB . . 4.590 4.013 3.717 4.196 . 0 0 "[ . 1 . 2]" 1
423 1 23 LYS QB 1 36 THR MG . . 3.810 3.132 2.480 3.386 . 0 0 "[ . 1 . 2]" 1
424 1 23 LYS QB 1 70 THR HA . . 4.040 2.979 2.854 3.143 . 0 0 "[ . 1 . 2]" 1
425 1 23 LYS HB2 1 70 THR HA . . 4.620 4.117 3.782 4.585 . 0 0 "[ . 1 . 2]" 1
426 1 23 LYS HB2 1 70 THR MG . . 4.390 3.498 3.315 3.671 . 0 0 "[ . 1 . 2]" 1
427 1 23 LYS HB3 1 70 THR HA . . 4.620 3.072 2.890 3.280 . 0 0 "[ . 1 . 2]" 1
428 1 23 LYS HB3 1 70 THR MG . . 4.390 2.124 1.959 2.335 . 0 0 "[ . 1 . 2]" 1
429 1 23 LYS QD 1 25 ILE H . . 5.500 5.328 5.049 5.560 0.060 3 0 "[ . 1 . 2]" 1
430 1 23 LYS QD 1 25 ILE MD . . 4.320 2.181 1.908 3.790 . 0 0 "[ . 1 . 2]" 1
431 1 23 LYS QD 1 25 ILE QG . . 3.680 2.745 2.369 3.332 . 0 0 "[ . 1 . 2]" 1
432 1 23 LYS QE 1 23 LYS QG . . 3.370 2.413 2.117 2.810 . 0 0 "[ . 1 . 2]" 1
433 1 23 LYS QE 1 36 THR MG . . 4.700 3.567 2.853 4.354 . 0 0 "[ . 1 . 2]" 1
434 1 23 LYS QG 1 24 LEU H . . 4.480 2.978 2.848 3.090 . 0 0 "[ . 1 . 2]" 1
435 1 23 LYS QG 1 24 LEU HA . . 4.750 4.406 3.815 4.754 0.004 5 0 "[ . 1 . 2]" 1
436 1 24 LEU H 1 24 LEU HB2 . . 3.010 2.899 2.850 2.964 . 0 0 "[ . 1 . 2]" 1
437 1 24 LEU H 1 24 LEU HB3 . . 3.290 2.355 2.304 2.382 . 0 0 "[ . 1 . 2]" 1
438 1 24 LEU H 1 24 LEU MD2 . . 4.310 4.143 4.101 4.163 . 0 0 "[ . 1 . 2]" 1
439 1 24 LEU H 1 25 ILE H . . 4.500 4.367 4.343 4.410 . 0 0 "[ . 1 . 2]" 1
440 1 24 LEU H 1 35 THR HA . . 4.830 4.688 4.657 4.729 . 0 0 "[ . 1 . 2]" 1
441 1 24 LEU H 1 35 THR HB . . 5.500 5.483 5.423 5.533 0.033 2 0 "[ . 1 . 2]" 1
442 1 24 LEU H 1 35 THR MG . . 3.660 3.074 2.876 3.291 . 0 0 "[ . 1 . 2]" 1
443 1 24 LEU H 1 36 THR H . . 4.770 4.198 4.152 4.245 . 0 0 "[ . 1 . 2]" 1
444 1 24 LEU H 1 36 THR HA . . 3.310 2.323 2.218 2.371 . 0 0 "[ . 1 . 2]" 1
445 1 24 LEU H 1 36 THR HB . . 4.330 4.335 4.281 4.354 0.024 14 0 "[ . 1 . 2]" 1
446 1 24 LEU H 1 36 THR MG . . 3.710 3.279 3.076 3.394 . 0 0 "[ . 1 . 2]" 1
447 1 24 LEU H 1 37 THR H . . 4.330 4.203 4.022 4.307 . 0 0 "[ . 1 . 2]" 1
448 1 24 LEU H 1 37 THR HB . . 5.500 5.375 5.221 5.475 . 0 0 "[ . 1 . 2]" 1
449 1 24 LEU H 1 71 PHE H . . 4.890 4.858 4.714 4.889 . 0 0 "[ . 1 . 2]" 1
450 1 24 LEU H 1 71 PHE HB2 . . 5.500 5.493 5.444 5.521 0.021 10 0 "[ . 1 . 2]" 1
451 1 24 LEU HA 1 24 LEU MD2 . . 3.290 2.088 1.998 2.121 . 0 0 "[ . 1 . 2]" 1
452 1 24 LEU HA 1 25 ILE H . . 2.620 2.178 2.176 2.179 . 0 0 "[ . 1 . 2]" 1
453 1 24 LEU HA 1 25 ILE HA . . 5.500 4.369 4.367 4.369 . 0 0 "[ . 1 . 2]" 1
454 1 24 LEU HA 1 25 ILE HB . . 4.780 4.522 4.487 4.545 . 0 0 "[ . 1 . 2]" 1
455 1 24 LEU HA 1 25 ILE MD . . 4.610 4.476 4.136 4.616 0.006 19 0 "[ . 1 . 2]" 1
456 1 24 LEU HA 1 35 THR H . . 5.310 4.951 4.871 5.106 . 0 0 "[ . 1 . 2]" 1
457 1 24 LEU HA 1 70 THR MG . . 4.400 4.087 3.929 4.260 . 0 0 "[ . 1 . 2]" 1
458 1 24 LEU HA 1 71 PHE H . . 3.410 2.985 2.751 3.062 . 0 0 "[ . 1 . 2]" 1
459 1 24 LEU HA 1 71 PHE HB2 . . 4.720 2.758 2.651 2.798 . 0 0 "[ . 1 . 2]" 1
460 1 24 LEU HA 1 71 PHE HB3 . . 4.470 4.448 4.369 4.474 0.004 8 0 "[ . 1 . 2]" 1
461 1 24 LEU HB2 1 25 ILE H . . 5.370 4.362 4.284 4.383 . 0 0 "[ . 1 . 2]" 1
462 1 24 LEU HB2 1 35 THR MG . . 4.080 3.476 3.420 3.546 . 0 0 "[ . 1 . 2]" 1
463 1 24 LEU HB3 1 24 LEU MD2 . . 3.520 3.187 3.165 3.197 . 0 0 "[ . 1 . 2]" 1
464 1 24 LEU HB3 1 25 ILE H . . 4.530 4.487 4.443 4.513 . 0 0 "[ . 1 . 2]" 1
465 1 24 LEU HB3 1 35 THR H . . 4.440 4.091 4.013 4.191 . 0 0 "[ . 1 . 2]" 1
466 1 24 LEU HB3 1 35 THR MG . . 3.990 1.948 1.930 1.988 . 0 0 "[ . 1 . 2]" 1
467 1 24 LEU HB3 1 49 PHE HB2 . . 5.500 5.209 4.885 5.493 . 0 0 "[ . 1 . 2]" 1
468 1 24 LEU MD1 1 25 ILE H . . 4.930 3.652 3.426 3.886 . 0 0 "[ . 1 . 2]" 1
469 1 24 LEU MD1 1 26 LEU QD . . 3.630 1.584 1.572 1.623 . 0 0 "[ . 1 . 2]" 1
470 1 24 LEU MD1 1 26 LEU HG . . 3.690 2.032 1.921 2.156 . 0 0 "[ . 1 . 2]" 1
471 1 24 LEU MD2 1 25 ILE H . . 2.980 2.158 2.033 2.242 . 0 0 "[ . 1 . 2]" 1
472 1 24 LEU MD2 1 26 LEU QD . . 4.680 2.616 2.461 2.737 . 0 0 "[ . 1 . 2]" 1
473 1 24 LEU MD2 1 49 PHE HB2 . . 4.510 3.582 3.198 3.887 . 0 0 "[ . 1 . 2]" 1
474 1 24 LEU MD2 1 49 PHE HB3 . . 4.760 4.564 4.292 4.769 0.009 5 0 "[ . 1 . 2]" 1
475 1 24 LEU MD2 1 62 TRP HZ3 . . 4.380 4.309 4.237 4.384 0.004 10 0 "[ . 1 . 2]" 1
476 1 24 LEU MD2 1 71 PHE H . . 4.250 3.965 3.730 4.054 . 0 0 "[ . 1 . 2]" 1
477 1 24 LEU MD2 1 71 PHE HA . . 5.100 4.851 4.549 4.955 . 0 0 "[ . 1 . 2]" 1
478 1 24 LEU MD2 1 71 PHE HB2 . . 3.330 2.382 1.994 2.550 . 0 0 "[ . 1 . 2]" 1
479 1 24 LEU MD2 1 71 PHE HB3 . . 3.970 3.429 3.200 3.591 . 0 0 "[ . 1 . 2]" 1
480 1 24 LEU MD2 1 71 PHE QD . . 4.870 3.929 2.496 4.218 . 0 0 "[ . 1 . 2]" 1
481 1 24 LEU MD2 1 72 THR H . . 4.860 4.863 4.706 4.892 0.032 17 0 "[ . 1 . 2]" 1
482 1 24 LEU MD2 1 72 THR HA . . 3.990 3.825 3.769 3.970 . 0 0 "[ . 1 . 2]" 1
483 1 24 LEU MD2 1 73 VAL H . . 4.270 4.142 4.063 4.202 . 0 0 "[ . 1 . 2]" 1
484 1 24 LEU MD2 1 73 VAL MG2 . . 4.400 4.162 4.123 4.203 . 0 0 "[ . 1 . 2]" 1
485 1 24 LEU HG 1 26 LEU HG . . 4.230 4.159 4.041 4.240 0.010 1 0 "[ . 1 . 2]" 1
486 1 24 LEU HG 1 49 PHE HB2 . . 4.230 3.757 3.456 3.986 . 0 0 "[ . 1 . 2]" 1
487 1 24 LEU HG 1 49 PHE HB3 . . 5.320 5.029 4.801 5.211 . 0 0 "[ . 1 . 2]" 1
488 1 24 LEU HG 1 52 TYR H . . 4.920 4.820 4.683 4.910 . 0 0 "[ . 1 . 2]" 1
489 1 24 LEU HG 1 52 TYR QB . . 3.490 2.715 2.555 2.851 . 0 0 "[ . 1 . 2]" 1
490 1 24 LEU HG 1 52 TYR QD . . 3.680 3.674 3.551 3.695 0.015 12 0 "[ . 1 . 2]" 1
491 1 24 LEU HG 1 53 ALA MB . . 5.040 4.873 4.720 5.044 0.004 19 0 "[ . 1 . 2]" 1
492 1 25 ILE H 1 25 ILE HB . . 2.880 2.492 2.463 2.534 . 0 0 "[ . 1 . 2]" 1
493 1 25 ILE H 1 25 ILE MD . . 3.550 3.413 3.060 3.548 . 0 0 "[ . 1 . 2]" 1
494 1 25 ILE H 1 25 ILE QG . . 3.320 2.886 2.833 2.971 . 0 0 "[ . 1 . 2]" 1
495 1 25 ILE H 1 25 ILE MG . . 4.390 3.765 3.740 3.790 . 0 0 "[ . 1 . 2]" 1
496 1 25 ILE H 1 26 LEU H . . 4.620 4.376 4.333 4.398 . 0 0 "[ . 1 . 2]" 1
497 1 25 ILE H 1 34 GLU HA . . 5.180 4.929 4.799 5.105 . 0 0 "[ . 1 . 2]" 1
498 1 25 ILE H 1 70 THR MG . . 4.460 3.829 3.692 3.961 . 0 0 "[ . 1 . 2]" 1
499 1 25 ILE H 1 71 PHE H . . 4.130 3.546 3.378 3.653 . 0 0 "[ . 1 . 2]" 1
500 1 25 ILE H 1 71 PHE HB2 . . 3.850 3.428 3.057 3.538 . 0 0 "[ . 1 . 2]" 1
501 1 25 ILE H 1 71 PHE QD . . 5.140 4.793 3.825 4.949 . 0 0 "[ . 1 . 2]" 1
502 1 25 ILE H 1 72 THR HA . . 3.210 3.052 2.956 3.235 0.025 9 0 "[ . 1 . 2]" 1
503 1 25 ILE H 1 72 THR MG . . 4.370 4.155 4.014 4.352 . 0 0 "[ . 1 . 2]" 1
504 1 25 ILE H 1 73 VAL H . . 4.420 4.420 4.310 4.443 0.023 10 0 "[ . 1 . 2]" 1
505 1 25 ILE HA 1 25 ILE MD . . 3.980 3.840 3.787 3.865 . 0 0 "[ . 1 . 2]" 1
506 1 25 ILE HA 1 25 ILE HG12 . . 3.810 2.832 2.767 3.016 . 0 0 "[ . 1 . 2]" 1
507 1 25 ILE HA 1 25 ILE HG13 . . 3.810 2.593 2.467 2.670 . 0 0 "[ . 1 . 2]" 1
508 1 25 ILE HA 1 25 ILE MG . . 3.320 2.391 2.356 2.514 . 0 0 "[ . 1 . 2]" 1
509 1 25 ILE HA 1 26 LEU H . . 2.450 2.186 2.180 2.192 . 0 0 "[ . 1 . 2]" 1
510 1 25 ILE HA 1 26 LEU QD . . 3.750 2.921 2.701 3.133 . 0 0 "[ . 1 . 2]" 1
511 1 25 ILE HA 1 34 GLU HA . . 3.280 2.183 2.019 2.399 . 0 0 "[ . 1 . 2]" 1
512 1 25 ILE HA 1 34 GLU QB . . 4.710 3.315 3.004 3.966 . 0 0 "[ . 1 . 2]" 1
513 1 25 ILE HA 1 34 GLU HG2 . . 5.500 4.570 2.284 5.525 0.025 13 0 "[ . 1 . 2]" 1
514 1 25 ILE HA 1 34 GLU QG . . 4.840 4.099 2.265 4.871 0.031 15 0 "[ . 1 . 2]" 1
515 1 25 ILE HA 1 34 GLU HG3 . . 5.500 4.935 3.740 5.455 . 0 0 "[ . 1 . 2]" 1
516 1 25 ILE HA 1 35 THR H . . 3.690 3.443 3.318 3.634 . 0 0 "[ . 1 . 2]" 1
517 1 25 ILE HA 1 73 VAL H . . 5.380 5.200 5.157 5.252 . 0 0 "[ . 1 . 2]" 1
518 1 25 ILE HB 1 25 ILE MD . . 3.500 2.128 1.983 2.230 . 0 0 "[ . 1 . 2]" 1
519 1 25 ILE HB 1 26 LEU H . . 4.640 4.355 4.321 4.394 . 0 0 "[ . 1 . 2]" 1
520 1 25 ILE HB 1 27 ASN H . . 5.500 5.571 5.554 5.599 0.099 16 0 "[ . 1 . 2]" 1
521 1 25 ILE HB 1 27 ASN HD22 . . 5.490 5.233 4.991 5.359 . 0 0 "[ . 1 . 2]" 1
522 1 25 ILE HB 1 72 THR H . . 5.150 4.811 4.732 4.948 . 0 0 "[ . 1 . 2]" 1
523 1 25 ILE HB 1 72 THR HA . . 3.520 2.528 2.446 2.674 . 0 0 "[ . 1 . 2]" 1
524 1 25 ILE HB 1 72 THR MG . . 3.340 2.353 2.155 2.485 . 0 0 "[ . 1 . 2]" 1
525 1 25 ILE HB 1 73 VAL H . . 4.310 4.114 4.047 4.241 . 0 0 "[ . 1 . 2]" 1
526 1 25 ILE MD 1 25 ILE MG . . 2.700 2.369 2.220 2.628 . 0 0 "[ . 1 . 2]" 1
527 1 25 ILE MD 1 34 GLU QB . . 5.310 3.851 3.425 4.605 . 0 0 "[ . 1 . 2]" 1
528 1 25 ILE MD 1 34 GLU QG . . 5.340 4.617 3.627 5.150 . 0 0 "[ . 1 . 2]" 1
529 1 25 ILE MD 1 35 THR H . . 4.930 4.796 4.584 4.942 0.012 20 0 "[ . 1 . 2]" 1
530 1 25 ILE MD 1 71 PHE H . . 4.360 3.892 3.538 4.116 . 0 0 "[ . 1 . 2]" 1
531 1 25 ILE QG 1 25 ILE MG . . 3.110 2.186 2.088 2.238 . 0 0 "[ . 1 . 2]" 1
532 1 25 ILE QG 1 26 LEU H . . 4.750 4.161 4.113 4.189 . 0 0 "[ . 1 . 2]" 1
533 1 25 ILE QG 1 34 GLU HA . . 4.580 3.247 3.046 3.444 . 0 0 "[ . 1 . 2]" 1
534 1 25 ILE QG 1 34 GLU QG . . 4.400 3.356 1.937 4.053 . 0 0 "[ . 1 . 2]" 1
535 1 25 ILE QG 1 35 THR H . . 3.950 3.237 3.021 3.418 . 0 0 "[ . 1 . 2]" 1
536 1 25 ILE QG 1 70 THR MG . . 3.710 3.193 3.057 3.382 . 0 0 "[ . 1 . 2]" 1
537 1 25 ILE QG 1 71 PHE H . . 5.180 4.636 4.419 4.847 . 0 0 "[ . 1 . 2]" 1
538 1 25 ILE QG 1 72 THR HA . . 5.210 4.603 4.505 4.744 . 0 0 "[ . 1 . 2]" 1
539 1 25 ILE HG12 1 25 ILE MG . . 3.730 2.228 2.123 2.286 . 0 0 "[ . 1 . 2]" 1
540 1 25 ILE HG13 1 25 ILE MG . . 3.730 3.170 3.103 3.191 . 0 0 "[ . 1 . 2]" 1
541 1 25 ILE MG 1 26 LEU H . . 3.680 2.641 2.566 2.738 . 0 0 "[ . 1 . 2]" 1
542 1 25 ILE MG 1 27 ASN H . . 3.870 3.822 3.707 3.871 0.001 17 0 "[ . 1 . 2]" 1
543 1 25 ILE MG 1 27 ASN HA . . 4.530 4.098 4.051 4.135 . 0 0 "[ . 1 . 2]" 1
544 1 25 ILE MG 1 27 ASN HB2 . . 4.220 3.899 3.843 3.952 . 0 0 "[ . 1 . 2]" 1
545 1 25 ILE MG 1 27 ASN HD21 . . 4.040 3.000 2.884 3.105 . 0 0 "[ . 1 . 2]" 1
546 1 25 ILE MG 1 27 ASN HD22 . . 3.920 2.954 2.760 3.085 . 0 0 "[ . 1 . 2]" 1
547 1 25 ILE MG 1 33 GLY H . . 4.410 4.111 3.964 4.376 . 0 0 "[ . 1 . 2]" 1
548 1 25 ILE MG 1 34 GLU HA . . 3.880 3.386 3.278 3.603 . 0 0 "[ . 1 . 2]" 1
549 1 25 ILE MG 1 34 GLU QB . . 4.900 3.330 2.889 4.181 . 0 0 "[ . 1 . 2]" 1
550 1 25 ILE MG 1 34 GLU HG2 . . 5.500 4.471 2.086 5.517 0.017 1 0 "[ . 1 . 2]" 1
551 1 25 ILE MG 1 34 GLU HG3 . . 5.500 4.708 2.844 5.516 0.016 16 0 "[ . 1 . 2]" 1
552 1 25 ILE MG 1 72 THR H . . 5.500 5.548 5.533 5.571 0.071 16 0 "[ . 1 . 2]" 1
553 1 25 ILE MG 1 72 THR HA . . 4.250 3.213 3.120 3.314 . 0 0 "[ . 1 . 2]" 1
554 1 25 ILE MG 1 73 VAL H . . 3.650 3.654 3.631 3.664 0.014 9 0 "[ . 1 . 2]" 1
555 1 26 LEU H 1 26 LEU HB2 . . 3.000 2.784 2.734 2.835 . 0 0 "[ . 1 . 2]" 1
556 1 26 LEU H 1 26 LEU HB3 . . 3.780 3.744 3.726 3.757 . 0 0 "[ . 1 . 2]" 1
557 1 26 LEU H 1 26 LEU QD . . 2.800 2.215 2.037 2.349 . 0 0 "[ . 1 . 2]" 1
558 1 26 LEU H 1 26 LEU HG . . 3.260 2.962 2.875 3.033 . 0 0 "[ . 1 . 2]" 1
559 1 26 LEU H 1 32 LYS HA . . 5.450 4.852 4.802 4.937 . 0 0 "[ . 1 . 2]" 1
560 1 26 LEU H 1 33 GLY H . . 3.580 3.238 3.175 3.293 . 0 0 "[ . 1 . 2]" 1
561 1 26 LEU H 1 34 GLU HA . . 3.110 2.872 2.779 3.034 . 0 0 "[ . 1 . 2]" 1
562 1 26 LEU H 1 35 THR MG . . 4.310 4.333 4.321 4.349 0.039 16 0 "[ . 1 . 2]" 1
563 1 26 LEU H 1 72 THR HA . . 5.500 5.130 5.087 5.203 . 0 0 "[ . 1 . 2]" 1
564 1 26 LEU H 1 73 VAL HB . . 5.500 5.535 5.523 5.550 0.050 9 0 "[ . 1 . 2]" 1
565 1 26 LEU HA 1 26 LEU QD . . 4.050 3.163 3.111 3.200 . 0 0 "[ . 1 . 2]" 1
566 1 26 LEU HA 1 26 LEU HG . . 3.460 2.705 2.683 2.743 . 0 0 "[ . 1 . 2]" 1
567 1 26 LEU HA 1 27 ASN H . . 2.400 2.182 2.181 2.183 . 0 0 "[ . 1 . 2]" 1
568 1 26 LEU HA 1 27 ASN HA . . 4.840 4.339 4.338 4.340 . 0 0 "[ . 1 . 2]" 1
569 1 26 LEU HA 1 27 ASN HB2 . . 4.850 4.278 4.262 4.313 . 0 0 "[ . 1 . 2]" 1
570 1 26 LEU HA 1 73 VAL H . . 3.130 2.685 2.649 2.751 . 0 0 "[ . 1 . 2]" 1
571 1 26 LEU HA 1 73 VAL HB . . 4.370 2.884 2.863 2.907 . 0 0 "[ . 1 . 2]" 1
572 1 26 LEU HA 1 73 VAL MG1 . . 3.310 2.119 2.041 2.179 . 0 0 "[ . 1 . 2]" 1
573 1 26 LEU HB2 1 27 ASN H . . 5.340 4.286 4.251 4.315 . 0 0 "[ . 1 . 2]" 1
574 1 26 LEU HB2 1 32 LYS HA . . 4.240 3.777 3.688 3.874 . 0 0 "[ . 1 . 2]" 1
575 1 26 LEU HB2 1 33 GLY H . . 3.460 3.151 3.070 3.212 . 0 0 "[ . 1 . 2]" 1
576 1 26 LEU HB2 1 33 GLY HA2 . . 5.500 5.505 5.488 5.511 0.011 9 0 "[ . 1 . 2]" 1
577 1 26 LEU HB2 1 33 GLY QA . . 4.660 4.353 4.319 4.377 . 0 0 "[ . 1 . 2]" 1
578 1 26 LEU HB2 1 33 GLY HA3 . . 5.500 4.561 4.514 4.594 . 0 0 "[ . 1 . 2]" 1
579 1 26 LEU HB3 1 26 LEU QD . . 3.170 1.946 1.926 1.980 . 0 0 "[ . 1 . 2]" 1
580 1 26 LEU HB3 1 26 LEU HG . . 2.790 2.724 2.668 2.772 . 0 0 "[ . 1 . 2]" 1
581 1 26 LEU HB3 1 27 ASN H . . 3.830 3.728 3.718 3.739 . 0 0 "[ . 1 . 2]" 1
582 1 26 LEU HB3 1 28 GLY H . . 5.390 5.125 5.081 5.184 . 0 0 "[ . 1 . 2]" 1
583 1 26 LEU HB3 1 32 LYS HA . . 5.180 4.783 4.699 4.887 . 0 0 "[ . 1 . 2]" 1
584 1 26 LEU HB3 1 33 GLY H . . 5.120 4.660 4.621 4.694 . 0 0 "[ . 1 . 2]" 1
585 1 26 LEU HB3 1 73 VAL H . . 5.100 4.870 4.815 4.949 . 0 0 "[ . 1 . 2]" 1
586 1 26 LEU QD 1 27 ASN H . . 5.500 4.549 4.514 4.570 . 0 0 "[ . 1 . 2]" 1
587 1 26 LEU QD 1 32 LYS HA . . 5.440 4.603 4.511 4.687 . 0 0 "[ . 1 . 2]" 1
588 1 26 LEU QD 1 33 GLY H . . 4.570 3.565 3.386 3.757 . 0 0 "[ . 1 . 2]" 1
589 1 26 LEU QD 1 33 GLY QA . . 4.200 3.537 3.403 3.703 . 0 0 "[ . 1 . 2]" 1
590 1 26 LEU QD 1 34 GLU H . . 4.340 4.104 3.926 4.283 . 0 0 "[ . 1 . 2]" 1
591 1 26 LEU QD 1 34 GLU HA . . 4.060 2.850 2.739 3.015 . 0 0 "[ . 1 . 2]" 1
592 1 26 LEU QD 1 34 GLU QG . . 5.340 4.738 3.968 5.157 . 0 0 "[ . 1 . 2]" 1
593 1 26 LEU QD 1 35 THR HB . . 4.160 4.025 3.918 4.110 . 0 0 "[ . 1 . 2]" 1
594 1 26 LEU QD 1 35 THR MG . . 3.720 2.248 2.117 2.402 . 0 0 "[ . 1 . 2]" 1
595 1 26 LEU QD 1 52 TYR QB . . 4.980 2.435 2.234 2.590 . 0 0 "[ . 1 . 2]" 1
596 1 26 LEU QD 1 52 TYR QD . . 3.770 1.775 1.675 1.896 . 0 0 "[ . 1 . 2]" 1
597 1 26 LEU QD 1 52 TYR QE . . 3.720 2.307 2.010 2.663 . 0 0 "[ . 1 . 2]" 1
598 1 26 LEU QD 1 53 ALA H . . 3.800 3.105 2.992 3.219 . 0 0 "[ . 1 . 2]" 1
599 1 26 LEU QD 1 53 ALA HA . . 3.370 1.997 1.899 2.152 . 0 0 "[ . 1 . 2]" 1
600 1 26 LEU QD 1 53 ALA MB . . 3.610 2.695 2.549 2.881 . 0 0 "[ . 1 . 2]" 1
601 1 26 LEU QD 1 55 ASP H . . 5.500 4.821 4.699 4.915 . 0 0 "[ . 1 . 2]" 1
602 1 26 LEU QD 1 56 ASN QD . . 4.730 2.605 2.109 2.758 . 0 0 "[ . 1 . 2]" 1
603 1 26 LEU QD 1 73 VAL HB . . 4.780 3.893 3.740 4.066 . 0 0 "[ . 1 . 2]" 1
604 1 26 LEU HG 1 27 ASN H . . 5.210 4.876 4.854 4.912 . 0 0 "[ . 1 . 2]" 1
605 1 26 LEU HG 1 33 GLY H . . 5.500 5.482 5.411 5.508 0.008 16 0 "[ . 1 . 2]" 1
606 1 26 LEU HG 1 35 THR MG . . 4.350 4.031 3.957 4.097 . 0 0 "[ . 1 . 2]" 1
607 1 26 LEU HG 1 73 VAL MG1 . . 4.220 3.936 3.844 4.000 . 0 0 "[ . 1 . 2]" 1
608 1 27 ASN H 1 27 ASN HB2 . . 3.150 2.229 2.209 2.245 . 0 0 "[ . 1 . 2]" 1
609 1 27 ASN H 1 27 ASN HB3 . . 3.560 3.409 3.385 3.455 . 0 0 "[ . 1 . 2]" 1
610 1 27 ASN H 1 27 ASN HD21 . . 4.520 3.784 3.702 3.833 . 0 0 "[ . 1 . 2]" 1
611 1 27 ASN H 1 27 ASN HD22 . . 4.990 4.949 4.841 4.997 0.007 2 0 "[ . 1 . 2]" 1
612 1 27 ASN H 1 28 GLY H . . 4.210 4.161 4.155 4.174 . 0 0 "[ . 1 . 2]" 1
613 1 27 ASN H 1 28 GLY HA3 . . 5.400 5.195 5.176 5.226 . 0 0 "[ . 1 . 2]" 1
614 1 27 ASN H 1 73 VAL H . . 3.530 2.808 2.778 2.857 . 0 0 "[ . 1 . 2]" 1
615 1 27 ASN H 1 73 VAL MG1 . . 3.230 2.036 1.970 2.086 . 0 0 "[ . 1 . 2]" 1
616 1 27 ASN H 1 74 THR HA . . 4.080 3.763 3.739 3.781 . 0 0 "[ . 1 . 2]" 1
617 1 27 ASN H 1 75 GLU H . . 4.800 4.730 4.652 4.808 0.008 10 0 "[ . 1 . 2]" 1
618 1 27 ASN HA 1 27 ASN HD21 . . 4.500 4.117 4.079 4.162 . 0 0 "[ . 1 . 2]" 1
619 1 27 ASN HA 1 27 ASN HD22 . . 4.640 4.341 4.315 4.377 . 0 0 "[ . 1 . 2]" 1
620 1 27 ASN HA 1 28 GLY H . . 2.610 2.287 2.286 2.288 . 0 0 "[ . 1 . 2]" 1
621 1 27 ASN HA 1 28 GLY HA2 . . 5.240 4.460 4.457 4.463 . 0 0 "[ . 1 . 2]" 1
622 1 27 ASN HA 1 28 GLY HA3 . . 4.570 4.525 4.523 4.526 . 0 0 "[ . 1 . 2]" 1
623 1 27 ASN HA 1 32 LYS QB . . 4.700 3.029 2.975 3.092 . 0 0 "[ . 1 . 2]" 1
624 1 27 ASN HA 1 32 LYS QD . . 4.870 4.895 4.890 4.901 0.031 17 0 "[ . 1 . 2]" 1
625 1 27 ASN HA 1 33 GLY H . . 4.830 3.688 3.541 3.941 . 0 0 "[ . 1 . 2]" 1
626 1 27 ASN HB2 1 27 ASN HD22 . . 4.070 3.450 3.447 3.453 . 0 0 "[ . 1 . 2]" 1
627 1 27 ASN HB2 1 28 GLY H . . 4.890 4.664 4.646 4.673 . 0 0 "[ . 1 . 2]" 1
628 1 27 ASN HB2 1 72 THR MG . . 4.420 3.179 3.035 3.249 . 0 0 "[ . 1 . 2]" 1
629 1 27 ASN HB2 1 73 VAL H . . 4.710 3.743 3.682 3.787 . 0 0 "[ . 1 . 2]" 1
630 1 27 ASN HB2 1 74 THR H . . 4.900 4.583 4.514 4.610 . 0 0 "[ . 1 . 2]" 1
631 1 27 ASN HB2 1 74 THR HA . . 3.760 2.694 2.648 2.748 . 0 0 "[ . 1 . 2]" 1
632 1 27 ASN HB2 1 74 THR MG . . 4.240 3.324 3.163 3.440 . 0 0 "[ . 1 . 2]" 1
633 1 27 ASN HB3 1 27 ASN HD21 . . 3.530 3.151 3.120 3.178 . 0 0 "[ . 1 . 2]" 1
634 1 27 ASN HB3 1 28 GLY H . . 4.160 3.971 3.951 3.985 . 0 0 "[ . 1 . 2]" 1
635 1 27 ASN HB3 1 72 THR MG . . 4.710 4.493 4.408 4.540 . 0 0 "[ . 1 . 2]" 1
636 1 27 ASN HB3 1 73 VAL H . . 5.500 5.443 5.392 5.488 . 0 0 "[ . 1 . 2]" 1
637 1 27 ASN HB3 1 74 THR H . . 5.500 5.502 5.463 5.519 0.019 9 0 "[ . 1 . 2]" 1
638 1 27 ASN HB3 1 74 THR HA . . 3.680 2.818 2.792 2.871 . 0 0 "[ . 1 . 2]" 1
639 1 27 ASN HB3 1 74 THR MG . . 3.950 2.975 2.779 3.122 . 0 0 "[ . 1 . 2]" 1
640 1 27 ASN HB3 1 75 GLU H . . 4.240 3.595 3.487 3.786 . 0 0 "[ . 1 . 2]" 1
641 1 27 ASN HD21 1 72 THR HB . . 4.600 4.380 4.339 4.458 . 0 0 "[ . 1 . 2]" 1
642 1 27 ASN HD21 1 72 THR MG . . 3.580 2.083 1.942 2.129 . 0 0 "[ . 1 . 2]" 1
643 1 27 ASN HD21 1 74 THR MG . . 3.790 3.791 3.780 3.794 0.004 12 0 "[ . 1 . 2]" 1
644 1 27 ASN HD22 1 72 THR HB . . 5.500 5.508 5.504 5.516 0.016 9 0 "[ . 1 . 2]" 1
645 1 27 ASN HD22 1 72 THR MG . . 3.840 2.847 2.750 2.880 . 0 0 "[ . 1 . 2]" 1
646 1 27 ASN HD22 1 74 THR MG . . 4.890 4.777 4.727 4.823 . 0 0 "[ . 1 . 2]" 1
647 1 28 GLY H 1 28 GLY HA3 . . 2.670 2.534 2.514 2.546 . 0 0 "[ . 1 . 2]" 1
648 1 28 GLY H 1 29 LYS H . . 4.550 4.453 4.434 4.470 . 0 0 "[ . 1 . 2]" 1
649 1 28 GLY H 1 30 THR H . . 5.500 5.223 5.156 5.286 . 0 0 "[ . 1 . 2]" 1
650 1 28 GLY H 1 31 LEU H . . 4.460 4.061 3.953 4.175 . 0 0 "[ . 1 . 2]" 1
651 1 28 GLY H 1 32 LYS HA . . 3.690 2.280 2.206 2.379 . 0 0 "[ . 1 . 2]" 1
652 1 28 GLY H 1 32 LYS HB2 . . 4.580 3.654 3.365 3.725 . 0 0 "[ . 1 . 2]" 1
653 1 28 GLY H 1 32 LYS QB . . 3.760 2.155 2.074 2.228 . 0 0 "[ . 1 . 2]" 1
654 1 28 GLY H 1 32 LYS HB3 . . 4.580 2.171 2.086 2.246 . 0 0 "[ . 1 . 2]" 1
655 1 28 GLY H 1 58 VAL QG . . 4.200 3.998 3.772 4.165 . 0 0 "[ . 1 . 2]" 1
656 1 28 GLY H 1 73 VAL MG1 . . 4.910 4.707 4.651 4.766 . 0 0 "[ . 1 . 2]" 1
657 1 28 GLY H 1 75 GLU QB . . 5.340 4.758 4.594 4.886 . 0 0 "[ . 1 . 2]" 1
658 1 28 GLY HA2 1 29 LYS H . . 2.670 2.353 2.299 2.413 . 0 0 "[ . 1 . 2]" 1
659 1 28 GLY HA2 1 29 LYS QB . . 5.240 4.667 4.636 4.691 . 0 0 "[ . 1 . 2]" 1
660 1 28 GLY HA2 1 29 LYS QG . . 4.630 3.523 3.391 3.611 . 0 0 "[ . 1 . 2]" 1
661 1 28 GLY HA2 1 58 VAL MG1 . . 4.520 2.819 2.644 2.984 . 0 0 "[ . 1 . 2]" 1
662 1 28 GLY HA2 1 58 VAL QG . . 3.750 2.728 2.559 2.871 . 0 0 "[ . 1 . 2]" 1
663 1 28 GLY HA2 1 58 VAL MG2 . . 4.520 3.637 3.415 3.779 . 0 0 "[ . 1 . 2]" 1
664 1 28 GLY HA2 1 75 GLU HB2 . . 4.090 2.556 2.209 2.777 . 0 0 "[ . 1 . 2]" 1
665 1 28 GLY HA2 1 75 GLU HB3 . . 4.090 2.695 2.390 3.102 . 0 0 "[ . 1 . 2]" 1
666 1 28 GLY HA2 1 75 GLU QG . . 4.390 3.984 3.676 4.384 . 0 0 "[ . 1 . 2]" 1
667 1 28 GLY HA3 1 29 LYS H . . 3.150 2.934 2.851 3.019 . 0 0 "[ . 1 . 2]" 1
668 1 28 GLY HA3 1 29 LYS QG . . 5.020 4.588 4.427 4.714 . 0 0 "[ . 1 . 2]" 1
669 1 28 GLY HA3 1 30 THR H . . 3.950 3.494 3.457 3.525 . 0 0 "[ . 1 . 2]" 1
670 1 28 GLY HA3 1 31 LEU H . . 3.250 2.606 2.540 2.655 . 0 0 "[ . 1 . 2]" 1
671 1 28 GLY HA3 1 32 LYS HG2 . . 5.500 4.852 4.719 5.249 . 0 0 "[ . 1 . 2]" 1
672 1 28 GLY HA3 1 58 VAL MG1 . . 4.440 2.614 2.446 2.815 . 0 0 "[ . 1 . 2]" 1
673 1 28 GLY HA3 1 58 VAL QG . . 3.900 2.329 2.129 2.480 . 0 0 "[ . 1 . 2]" 1
674 1 28 GLY HA3 1 58 VAL MG2 . . 4.440 2.626 2.312 2.841 . 0 0 "[ . 1 . 2]" 1
675 1 28 GLY HA3 1 75 GLU HB2 . . 4.760 3.531 3.243 3.668 . 0 0 "[ . 1 . 2]" 1
676 1 28 GLY HA3 1 75 GLU QB . . 3.990 3.317 3.114 3.493 . 0 0 "[ . 1 . 2]" 1
677 1 28 GLY HA3 1 75 GLU HB3 . . 4.760 4.060 3.787 4.531 . 0 0 "[ . 1 . 2]" 1
678 1 28 GLY HA3 1 75 GLU QG . . 5.130 4.507 4.035 5.133 0.003 2 0 "[ . 1 . 2]" 1
679 1 29 LYS H 1 29 LYS QB . . 2.590 2.541 2.524 2.553 . 0 0 "[ . 1 . 2]" 1
680 1 29 LYS H 1 29 LYS QD . . 3.980 3.521 3.423 3.586 . 0 0 "[ . 1 . 2]" 1
681 1 29 LYS H 1 29 LYS QE . . 4.660 2.365 2.109 3.285 . 0 0 "[ . 1 . 2]" 1
682 1 29 LYS H 1 29 LYS HG2 . . 3.550 1.948 1.940 1.965 . 0 0 "[ . 1 . 2]" 1
683 1 29 LYS H 1 29 LYS QG . . 2.790 1.938 1.929 1.955 . 0 0 "[ . 1 . 2]" 1
684 1 29 LYS H 1 29 LYS HG3 . . 3.550 3.472 3.401 3.493 . 0 0 "[ . 1 . 2]" 1
685 1 29 LYS H 1 30 THR H . . 3.080 2.518 2.453 2.616 . 0 0 "[ . 1 . 2]" 1
686 1 29 LYS H 1 30 THR MG . . 4.370 3.811 3.504 4.045 . 0 0 "[ . 1 . 2]" 1
687 1 29 LYS H 1 31 LEU H . . 3.970 3.552 3.492 3.633 . 0 0 "[ . 1 . 2]" 1
688 1 29 LYS H 1 58 VAL MG1 . . 4.050 4.021 3.891 4.053 0.003 12 0 "[ . 1 . 2]" 1
689 1 29 LYS H 1 58 VAL MG2 . . 4.050 4.052 4.037 4.057 0.007 19 0 "[ . 1 . 2]" 1
690 1 29 LYS H 1 75 GLU H . . 5.140 4.917 4.657 5.088 . 0 0 "[ . 1 . 2]" 1
691 1 29 LYS H 1 75 GLU HB2 . . 4.230 3.904 3.521 4.210 . 0 0 "[ . 1 . 2]" 1
692 1 29 LYS H 1 75 GLU QB . . 3.450 2.952 2.677 3.171 . 0 0 "[ . 1 . 2]" 1
693 1 29 LYS H 1 75 GLU HB3 . . 4.230 3.063 2.775 3.396 . 0 0 "[ . 1 . 2]" 1
694 1 29 LYS H 1 75 GLU QG . . 4.810 4.128 3.719 4.554 . 0 0 "[ . 1 . 2]" 1
695 1 29 LYS HA 1 29 LYS QD . . 3.880 2.138 1.984 2.228 . 0 0 "[ . 1 . 2]" 1
696 1 29 LYS HA 1 29 LYS HE2 . . 4.170 2.423 2.010 3.607 . 0 0 "[ . 1 . 2]" 1
697 1 29 LYS HA 1 29 LYS QE . . 3.380 2.346 1.987 3.303 . 0 0 "[ . 1 . 2]" 1
698 1 29 LYS HA 1 29 LYS HE3 . . 4.170 3.351 2.877 4.134 . 0 0 "[ . 1 . 2]" 1
699 1 29 LYS HA 1 29 LYS QG . . 3.140 3.078 2.976 3.107 . 0 0 "[ . 1 . 2]" 1
700 1 29 LYS QB 1 30 THR H . . 2.980 2.816 2.807 2.824 . 0 0 "[ . 1 . 2]" 1
701 1 29 LYS QB 1 30 THR HA . . 4.650 4.144 4.141 4.146 . 0 0 "[ . 1 . 2]" 1
702 1 29 LYS QB 1 30 THR MG . . 4.190 3.221 2.476 4.137 . 0 0 "[ . 1 . 2]" 1
703 1 29 LYS QB 1 31 LEU H . . 4.870 4.574 4.566 4.582 . 0 0 "[ . 1 . 2]" 1
704 1 29 LYS QE 1 29 LYS QG . . 3.190 2.024 1.957 2.077 . 0 0 "[ . 1 . 2]" 1
705 1 29 LYS QE 1 75 GLU H . . 4.430 3.648 3.535 3.908 . 0 0 "[ . 1 . 2]" 1
706 1 29 LYS QE 1 75 GLU QG . . 4.690 4.689 4.652 4.700 0.010 12 0 "[ . 1 . 2]" 1
707 1 29 LYS QG 1 30 THR H . . 4.380 3.912 3.875 3.965 . 0 0 "[ . 1 . 2]" 1
708 1 29 LYS QG 1 75 GLU H . . 4.850 4.821 4.693 4.874 0.024 8 0 "[ . 1 . 2]" 1
709 1 29 LYS QG 1 75 GLU QB . . 3.900 2.860 2.644 3.035 . 0 0 "[ . 1 . 2]" 1
710 1 29 LYS QG 1 75 GLU QG . . 4.740 4.179 3.909 4.360 . 0 0 "[ . 1 . 2]" 1
711 1 30 THR H 1 30 THR MG . . 4.020 2.147 1.878 2.335 . 0 0 "[ . 1 . 2]" 1
712 1 30 THR H 1 31 LEU H . . 2.450 2.054 2.051 2.056 . 0 0 "[ . 1 . 2]" 1
713 1 30 THR HA 1 30 THR MG . . 3.280 2.903 2.509 3.236 . 0 0 "[ . 1 . 2]" 1
714 1 30 THR HB 1 31 LEU H . . 4.490 4.197 4.051 4.329 . 0 0 "[ . 1 . 2]" 1
715 1 30 THR MG 1 31 LEU H . . 3.850 3.040 2.174 3.813 . 0 0 "[ . 1 . 2]" 1
716 1 31 LEU H 1 31 LEU HB2 . . 3.290 2.795 2.640 3.050 . 0 0 "[ . 1 . 2]" 1
717 1 31 LEU H 1 31 LEU QB . . 2.780 2.565 2.528 2.576 . 0 0 "[ . 1 . 2]" 1
718 1 31 LEU H 1 31 LEU HB3 . . 3.290 3.027 2.767 3.232 . 0 0 "[ . 1 . 2]" 1
719 1 31 LEU H 1 31 LEU QD . . 5.120 3.698 3.551 3.850 . 0 0 "[ . 1 . 2]" 1
720 1 31 LEU H 1 31 LEU HG . . 5.010 4.915 4.666 4.976 . 0 0 "[ . 1 . 2]" 1
721 1 31 LEU H 1 32 LYS H . . 4.190 4.014 3.981 4.059 . 0 0 "[ . 1 . 2]" 1
722 1 31 LEU H 1 32 LYS HA . . 5.020 4.765 4.761 4.769 . 0 0 "[ . 1 . 2]" 1
723 1 31 LEU H 1 58 VAL QG . . 4.090 3.032 2.842 3.154 . 0 0 "[ . 1 . 2]" 1
724 1 31 LEU HA 1 31 LEU MD1 . . 4.230 2.183 1.873 2.576 . 0 0 "[ . 1 . 2]" 1
725 1 31 LEU HA 1 31 LEU QD . . 3.280 1.949 1.866 2.056 . 0 0 "[ . 1 . 2]" 1
726 1 31 LEU HA 1 31 LEU MD2 . . 4.230 2.546 1.971 3.535 . 0 0 "[ . 1 . 2]" 1
727 1 31 LEU HA 1 31 LEU HG . . 3.630 3.600 3.440 3.639 0.009 6 0 "[ . 1 . 2]" 1
728 1 31 LEU HA 1 32 LYS H . . 2.400 2.196 2.187 2.203 . 0 0 "[ . 1 . 2]" 1
729 1 31 LEU QB 1 32 LYS H . . 4.700 3.940 3.861 4.001 . 0 0 "[ . 1 . 2]" 1
730 1 31 LEU QB 1 58 VAL H . . 5.340 4.751 4.562 4.900 . 0 0 "[ . 1 . 2]" 1
731 1 31 LEU QB 1 58 VAL QG . . 3.610 2.029 1.872 2.242 . 0 0 "[ . 1 . 2]" 1
732 1 31 LEU HB2 1 32 LYS H . . 5.500 4.647 4.536 4.697 . 0 0 "[ . 1 . 2]" 1
733 1 31 LEU HB3 1 32 LYS H . . 5.500 4.262 4.113 4.437 . 0 0 "[ . 1 . 2]" 1
734 1 31 LEU QD 1 32 LYS H . . 3.390 2.594 2.262 2.760 . 0 0 "[ . 1 . 2]" 1
735 1 31 LEU QD 1 32 LYS HA . . 5.440 3.603 3.460 3.879 . 0 0 "[ . 1 . 2]" 1
736 1 31 LEU QD 1 56 ASN H . . 5.010 4.721 3.920 5.014 0.004 19 0 "[ . 1 . 2]" 1
737 1 31 LEU QD 1 56 ASN HA . . 4.500 2.860 1.919 3.809 . 0 0 "[ . 1 . 2]" 1
738 1 31 LEU QD 1 56 ASN HB2 . . 4.410 3.828 3.151 4.181 . 0 0 "[ . 1 . 2]" 1
739 1 31 LEU QD 1 56 ASN HB3 . . 3.790 2.753 1.898 3.091 . 0 0 "[ . 1 . 2]" 1
740 1 31 LEU QD 1 56 ASN QD . . 4.630 3.342 2.905 3.615 . 0 0 "[ . 1 . 2]" 1
741 1 31 LEU QD 1 58 VAL H . . 5.440 5.139 4.196 5.442 0.002 14 0 "[ . 1 . 2]" 1
742 1 31 LEU MD1 1 56 ASN HB3 . . 4.750 3.311 2.551 3.845 . 0 0 "[ . 1 . 2]" 1
743 1 31 LEU MD2 1 56 ASN HB3 . . 4.750 3.274 1.902 3.861 . 0 0 "[ . 1 . 2]" 1
744 1 31 LEU HG 1 32 LYS H . . 5.500 5.049 4.276 5.276 . 0 0 "[ . 1 . 2]" 1
745 1 31 LEU HG 1 58 VAL H . . 5.500 5.380 5.140 5.502 0.002 19 0 "[ . 1 . 2]" 1
746 1 32 LYS H 1 32 LYS HB2 . . 3.940 3.666 3.651 3.775 . 0 0 "[ . 1 . 2]" 1
747 1 32 LYS H 1 32 LYS QB . . 3.180 3.215 3.168 3.220 0.040 8 0 "[ . 1 . 2]" 1
748 1 32 LYS H 1 32 LYS HB3 . . 3.940 3.559 3.403 3.576 . 0 0 "[ . 1 . 2]" 1
749 1 32 LYS H 1 32 LYS HG2 . . 3.280 2.220 2.117 2.332 . 0 0 "[ . 1 . 2]" 1
750 1 32 LYS H 1 32 LYS HG3 . . 2.950 2.578 2.553 2.728 . 0 0 "[ . 1 . 2]" 1
751 1 32 LYS H 1 33 GLY QA . . 4.950 4.377 4.375 4.381 . 0 0 "[ . 1 . 2]" 1
752 1 32 LYS HA 1 32 LYS QD . . 4.830 4.218 4.205 4.291 . 0 0 "[ . 1 . 2]" 1
753 1 32 LYS HA 1 33 GLY H . . 2.400 2.183 2.183 2.184 . 0 0 "[ . 1 . 2]" 1
754 1 32 LYS HA 1 33 GLY HA2 . . 4.720 4.419 4.418 4.420 . 0 0 "[ . 1 . 2]" 1
755 1 32 LYS HA 1 33 GLY QA . . 4.140 3.914 3.913 3.916 . 0 0 "[ . 1 . 2]" 1
756 1 32 LYS HA 1 33 GLY HA3 . . 4.720 4.368 4.366 4.371 . 0 0 "[ . 1 . 2]" 1
757 1 32 LYS QB 1 32 LYS QE . . 3.610 3.231 2.608 3.610 0.000 18 0 "[ . 1 . 2]" 1
758 1 32 LYS QB 1 33 GLY H . . 3.650 3.326 3.313 3.328 . 0 0 "[ . 1 . 2]" 1
759 1 32 LYS QE 1 32 LYS HG2 . . 3.520 2.683 2.084 3.260 . 0 0 "[ . 1 . 2]" 1
760 1 32 LYS QE 1 32 LYS HG3 . . 3.640 2.593 2.039 3.338 . 0 0 "[ . 1 . 2]" 1
761 1 32 LYS HE2 1 32 LYS HG2 . . 4.110 3.145 2.106 4.035 . 0 0 "[ . 1 . 2]" 1
762 1 32 LYS HE2 1 32 LYS HG3 . . 4.150 3.024 2.078 4.018 . 0 0 "[ . 1 . 2]" 1
763 1 32 LYS HE3 1 32 LYS HG2 . . 4.110 3.222 2.102 3.991 . 0 0 "[ . 1 . 2]" 1
764 1 32 LYS HE3 1 32 LYS HG3 . . 4.150 3.093 2.075 3.878 . 0 0 "[ . 1 . 2]" 1
765 1 32 LYS HG3 1 33 GLY QA . . 5.340 4.738 4.348 4.785 . 0 0 "[ . 1 . 2]" 1
766 1 33 GLY QA 1 34 GLU H . . 2.570 2.331 2.321 2.333 . 0 0 "[ . 1 . 2]" 1
767 1 33 GLY QA 1 34 GLU QG . . 4.860 3.915 3.640 4.206 . 0 0 "[ . 1 . 2]" 1
768 1 33 GLY HA2 1 34 GLU H . . 2.950 2.640 2.528 2.741 . 0 0 "[ . 1 . 2]" 1
769 1 33 GLY HA3 1 34 GLU H . . 2.950 2.600 2.506 2.714 . 0 0 "[ . 1 . 2]" 1
770 1 34 GLU H 1 34 GLU QB . . 3.060 2.865 2.572 3.064 0.004 16 0 "[ . 1 . 2]" 1
771 1 34 GLU H 1 34 GLU QG . . 3.520 2.677 2.067 3.522 0.002 3 0 "[ . 1 . 2]" 1
772 1 34 GLU H 1 35 THR H . . 4.500 4.436 4.413 4.458 . 0 0 "[ . 1 . 2]" 1
773 1 34 GLU H 1 35 THR MG . . 4.670 4.464 4.235 4.670 . 0 0 "[ . 1 . 2]" 1
774 1 34 GLU HA 1 34 GLU HG2 . . 4.000 3.197 2.171 3.879 . 0 0 "[ . 1 . 2]" 1
775 1 34 GLU HA 1 34 GLU QG . . 3.450 2.963 2.125 3.333 . 0 0 "[ . 1 . 2]" 1
776 1 34 GLU HA 1 34 GLU HG3 . . 4.000 3.590 2.927 3.905 . 0 0 "[ . 1 . 2]" 1
777 1 34 GLU HA 1 35 THR H . . 2.640 2.556 2.543 2.560 . 0 0 "[ . 1 . 2]" 1
778 1 34 GLU QB 1 34 GLU QG . . 2.380 2.112 2.095 2.129 . 0 0 "[ . 1 . 2]" 1
779 1 34 GLU QB 1 35 THR H . . 3.190 2.410 2.340 2.479 . 0 0 "[ . 1 . 2]" 1
780 1 34 GLU HB2 1 35 THR H . . 4.060 2.858 2.365 3.804 . 0 0 "[ . 1 . 2]" 1
781 1 34 GLU HB3 1 35 THR H . . 4.060 3.429 2.363 3.917 . 0 0 "[ . 1 . 2]" 1
782 1 34 GLU QG 1 35 THR H . . 3.490 3.212 2.974 3.496 0.006 20 0 "[ . 1 . 2]" 1
783 1 35 THR H 1 35 THR HB . . 3.790 3.663 3.618 3.710 . 0 0 "[ . 1 . 2]" 1
784 1 35 THR H 1 35 THR MG . . 3.160 2.590 2.492 2.672 . 0 0 "[ . 1 . 2]" 1
785 1 35 THR H 1 36 THR H . . 4.420 4.355 4.349 4.357 . 0 0 "[ . 1 . 2]" 1
786 1 35 THR H 1 36 THR MG . . 4.260 3.510 3.436 3.603 . 0 0 "[ . 1 . 2]" 1
787 1 35 THR HA 1 36 THR H . . 2.690 2.592 2.548 2.635 . 0 0 "[ . 1 . 2]" 1
788 1 35 THR HB 1 36 THR H . . 3.790 3.627 3.605 3.651 . 0 0 "[ . 1 . 2]" 1
789 1 35 THR HB 1 52 TYR QE . . 5.090 3.711 3.305 4.075 . 0 0 "[ . 1 . 2]" 1
790 1 35 THR MG 1 36 THR H . . 3.690 3.413 3.214 3.563 . 0 0 "[ . 1 . 2]" 1
791 1 35 THR MG 1 52 TYR QB . . 4.670 4.133 3.986 4.278 . 0 0 "[ . 1 . 2]" 1
792 1 35 THR MG 1 52 TYR QD . . 4.430 3.292 3.026 3.513 . 0 0 "[ . 1 . 2]" 1
793 1 35 THR MG 1 52 TYR QE . . 4.150 2.305 2.096 2.630 . 0 0 "[ . 1 . 2]" 1
794 1 36 THR H 1 36 THR HB . . 4.020 3.917 3.900 3.926 . 0 0 "[ . 1 . 2]" 1
795 1 36 THR H 1 36 THR MG . . 3.410 2.677 2.581 2.821 . 0 0 "[ . 1 . 2]" 1
796 1 36 THR H 1 37 THR H . . 4.590 4.391 4.365 4.404 . 0 0 "[ . 1 . 2]" 1
797 1 36 THR HA 1 36 THR MG . . 3.400 2.615 2.522 2.659 . 0 0 "[ . 1 . 2]" 1
798 1 36 THR HA 1 37 THR H . . 2.710 2.338 2.279 2.365 . 0 0 "[ . 1 . 2]" 1
799 1 36 THR HB 1 37 THR H . . 3.000 2.892 2.836 3.029 0.029 1 0 "[ . 1 . 2]" 1
800 1 36 THR MG 1 37 THR H . . 4.290 4.162 4.058 4.208 . 0 0 "[ . 1 . 2]" 1
801 1 37 THR H 1 37 THR HB . . 3.610 3.214 3.091 3.297 . 0 0 "[ . 1 . 2]" 1
802 1 37 THR H 1 37 THR MG . . 3.220 2.425 2.291 2.664 . 0 0 "[ . 1 . 2]" 1
803 1 37 THR H 1 38 CYS H . . 4.610 4.377 4.350 4.383 . 0 0 "[ . 1 . 2]" 1
804 1 37 THR H 1 38 CYS HA . . 4.700 4.581 4.569 4.583 . 0 0 "[ . 1 . 2]" 1
805 1 37 THR H 1 48 VAL QG . . 5.440 5.309 5.046 5.449 0.009 16 0 "[ . 1 . 2]" 1
806 1 37 THR HA 1 38 CYS H . . 2.780 2.308 2.267 2.319 . 0 0 "[ . 1 . 2]" 1
807 1 37 THR HA 1 48 VAL QG . . 4.770 4.634 4.456 4.778 0.008 7 0 "[ . 1 . 2]" 1
808 1 37 THR HB 1 38 CYS H . . 4.230 4.137 4.069 4.215 . 0 0 "[ . 1 . 2]" 1
809 1 37 THR HB 1 48 VAL QG . . 3.990 3.001 2.748 3.208 . 0 0 "[ . 1 . 2]" 1
810 1 37 THR MG 1 38 CYS H . . 4.120 3.525 3.241 3.697 . 0 0 "[ . 1 . 2]" 1
811 1 37 THR MG 1 39 ALA MB . . 3.750 3.235 2.974 3.536 . 0 0 "[ . 1 . 2]" 1
812 1 37 THR MG 1 45 ALA HA . . 3.610 3.021 2.647 3.364 . 0 0 "[ . 1 . 2]" 1
813 1 37 THR MG 1 48 VAL HB . . 4.050 2.824 2.536 3.044 . 0 0 "[ . 1 . 2]" 1
814 1 37 THR MG 1 49 PHE H . . 4.230 4.090 3.955 4.241 0.011 4 0 "[ . 1 . 2]" 1
815 1 37 THR MG 1 49 PHE HB2 . . 5.080 3.947 3.706 4.154 . 0 0 "[ . 1 . 2]" 1
816 1 38 CYS H 1 38 CYS QB . . 2.930 2.380 2.300 2.546 . 0 0 "[ . 1 . 2]" 1
817 1 38 CYS H 1 39 ALA H . . 4.590 4.459 4.447 4.496 . 0 0 "[ . 1 . 2]" 1
818 1 38 CYS H 1 39 ALA MB . . 4.690 4.532 4.468 4.632 . 0 0 "[ . 1 . 2]" 1
819 1 38 CYS HA 1 39 ALA H . . 2.720 2.274 2.261 2.326 . 0 0 "[ . 1 . 2]" 1
820 1 38 CYS HA 1 39 ALA MB . . 4.190 3.863 3.797 3.924 . 0 0 "[ . 1 . 2]" 1
821 1 38 CYS QB 1 39 ALA H . . 3.500 3.160 2.908 3.366 . 0 0 "[ . 1 . 2]" 1
822 1 39 ALA H 1 39 ALA MB . . 3.200 2.649 2.583 2.678 . 0 0 "[ . 1 . 2]" 1
823 1 39 ALA H 1 40 VAL H . . 4.400 4.349 4.287 4.406 0.006 20 0 "[ . 1 . 2]" 1
824 1 39 ALA H 1 45 ALA MB . . 4.200 3.744 3.516 3.903 . 0 0 "[ . 1 . 2]" 1
825 1 39 ALA HA 1 40 VAL H . . 2.680 2.332 2.257 2.425 . 0 0 "[ . 1 . 2]" 1
826 1 39 ALA HA 1 40 VAL HB . . 5.500 4.905 4.188 5.704 0.204 12 0 "[ . 1 . 2]" 1
827 1 39 ALA HA 1 41 ASP H . . 4.280 4.043 3.787 4.284 0.004 10 0 "[ . 1 . 2]" 1
828 1 39 ALA HA 1 45 ALA H . . 5.480 5.088 4.945 5.324 . 0 0 "[ . 1 . 2]" 1
829 1 39 ALA HA 1 45 ALA MB . . 4.970 4.293 4.110 4.450 . 0 0 "[ . 1 . 2]" 1
830 1 39 ALA MB 1 40 VAL H . . 2.950 2.840 2.640 2.967 0.017 15 0 "[ . 1 . 2]" 1
831 1 39 ALA MB 1 41 ASP H . . 2.870 2.713 2.408 2.873 0.003 7 0 "[ . 1 . 2]" 1
832 1 39 ALA MB 1 44 THR H . . 4.690 3.647 3.317 3.936 . 0 0 "[ . 1 . 2]" 1
833 1 39 ALA MB 1 44 THR HB . . 3.600 2.317 1.964 2.785 . 0 0 "[ . 1 . 2]" 1
834 1 39 ALA MB 1 45 ALA H . . 3.060 2.376 2.259 2.527 . 0 0 "[ . 1 . 2]" 1
835 1 39 ALA MB 1 45 ALA HA . . 3.530 2.581 2.290 2.733 . 0 0 "[ . 1 . 2]" 1
836 1 39 ALA MB 1 45 ALA MB . . 3.100 1.838 1.684 1.967 . 0 0 "[ . 1 . 2]" 1
837 1 40 VAL H 1 40 VAL HB . . 3.510 2.769 2.046 3.495 . 0 0 "[ . 1 . 2]" 1
838 1 40 VAL H 1 40 VAL MG1 . . 3.780 2.529 2.182 3.493 . 0 0 "[ . 1 . 2]" 1
839 1 40 VAL H 1 40 VAL QG . . 2.620 2.179 1.852 2.674 0.054 16 0 "[ . 1 . 2]" 1
840 1 40 VAL H 1 40 VAL MG2 . . 3.780 2.813 1.907 3.694 . 0 0 "[ . 1 . 2]" 1
841 1 40 VAL H 1 41 ASP H . . 3.000 2.530 2.415 2.574 . 0 0 "[ . 1 . 2]" 1
842 1 40 VAL H 1 41 ASP HB2 . . 5.060 4.925 4.828 5.023 . 0 0 "[ . 1 . 2]" 1
843 1 40 VAL H 1 44 THR HB . . 3.780 3.597 3.046 3.751 . 0 0 "[ . 1 . 2]" 1
844 1 40 VAL H 1 45 ALA MB . . 5.430 5.169 4.849 5.437 0.007 15 0 "[ . 1 . 2]" 1
845 1 40 VAL HA 1 40 VAL MG1 . . 3.750 2.720 2.191 3.209 . 0 0 "[ . 1 . 2]" 1
846 1 40 VAL HA 1 40 VAL MG2 . . 3.750 2.571 2.006 3.198 . 0 0 "[ . 1 . 2]" 1
847 1 40 VAL HB 1 41 ASP H . . 4.060 3.748 2.969 3.919 . 0 0 "[ . 1 . 2]" 1
848 1 40 VAL QG 1 41 ASP H . . 2.890 2.140 1.920 2.855 . 0 0 "[ . 1 . 2]" 1
849 1 40 VAL QG 1 41 ASP HA . . 4.830 3.713 3.369 4.077 . 0 0 "[ . 1 . 2]" 1
850 1 40 VAL QG 1 41 ASP HB2 . . 4.670 3.013 2.664 3.253 . 0 0 "[ . 1 . 2]" 1
851 1 40 VAL QG 1 41 ASP HB3 . . 4.940 4.137 3.835 4.471 . 0 0 "[ . 1 . 2]" 1
852 1 40 VAL QG 1 44 THR H . . 4.600 4.350 4.040 4.652 0.052 16 0 "[ . 1 . 2]" 1
853 1 40 VAL QG 1 44 THR HB . . 4.450 3.270 2.886 3.980 . 0 0 "[ . 1 . 2]" 1
854 1 40 VAL MG1 1 41 ASP H . . 4.410 3.079 1.924 4.223 . 0 0 "[ . 1 . 2]" 1
855 1 40 VAL MG2 1 41 ASP H . . 4.410 3.223 1.956 4.243 . 0 0 "[ . 1 . 2]" 1
856 1 41 ASP H 1 41 ASP HB2 . . 3.410 2.658 2.577 2.739 . 0 0 "[ . 1 . 2]" 1
857 1 41 ASP H 1 42 ALA H . . 4.520 4.384 4.341 4.426 . 0 0 "[ . 1 . 2]" 1
858 1 41 ASP H 1 42 ALA HA . . 4.940 4.868 4.788 4.951 0.011 5 0 "[ . 1 . 2]" 1
859 1 41 ASP H 1 43 ALA H . . 4.660 4.532 4.288 4.652 . 0 0 "[ . 1 . 2]" 1
860 1 41 ASP H 1 44 THR H . . 3.490 3.478 3.125 3.527 0.037 12 0 "[ . 1 . 2]" 1
861 1 41 ASP H 1 44 THR HA . . 5.500 5.486 5.176 5.534 0.034 15 0 "[ . 1 . 2]" 1
862 1 41 ASP H 1 44 THR HB . . 2.920 2.590 2.324 2.807 . 0 0 "[ . 1 . 2]" 1
863 1 41 ASP H 1 44 THR MG . . 4.650 3.867 3.664 4.067 . 0 0 "[ . 1 . 2]" 1
864 1 41 ASP H 1 45 ALA MB . . 4.710 4.389 4.104 4.605 . 0 0 "[ . 1 . 2]" 1
865 1 41 ASP HA 1 41 ASP HB3 . . 3.050 2.559 2.538 2.684 . 0 0 "[ . 1 . 2]" 1
866 1 41 ASP HA 1 42 ALA H . . 3.140 2.356 2.347 2.418 . 0 0 "[ . 1 . 2]" 1
867 1 41 ASP HA 1 42 ALA MB . . 4.170 4.013 3.991 4.081 . 0 0 "[ . 1 . 2]" 1
868 1 41 ASP HA 1 43 ALA H . . 4.080 3.806 3.767 3.877 . 0 0 "[ . 1 . 2]" 1
869 1 41 ASP HA 1 45 ALA MB . . 5.340 5.200 4.809 5.349 0.009 15 0 "[ . 1 . 2]" 1
870 1 41 ASP HB2 1 43 ALA H . . 4.570 3.047 2.931 3.227 . 0 0 "[ . 1 . 2]" 1
871 1 41 ASP HB2 1 43 ALA MB . . 5.500 2.887 2.720 3.043 . 0 0 "[ . 1 . 2]" 1
872 1 41 ASP HB2 1 44 THR H . . 3.840 2.619 2.444 2.958 . 0 0 "[ . 1 . 2]" 1
873 1 41 ASP HB3 1 42 ALA H . . 2.930 2.933 2.785 2.957 0.027 15 0 "[ . 1 . 2]" 1
874 1 41 ASP HB3 1 42 ALA MB . . 4.260 4.191 3.941 4.238 . 0 0 "[ . 1 . 2]" 1
875 1 41 ASP HB3 1 43 ALA H . . 3.180 2.298 2.068 2.387 . 0 0 "[ . 1 . 2]" 1
876 1 41 ASP HB3 1 43 ALA MB . . 5.150 2.703 2.552 2.875 . 0 0 "[ . 1 . 2]" 1
877 1 41 ASP HB3 1 44 THR H . . 3.940 3.444 3.290 3.585 . 0 0 "[ . 1 . 2]" 1
878 1 41 ASP HB3 1 44 THR HB . . 5.480 4.741 4.455 5.150 . 0 0 "[ . 1 . 2]" 1
879 1 42 ALA H 1 42 ALA MB . . 2.580 1.960 1.931 2.110 . 0 0 "[ . 1 . 2]" 1
880 1 42 ALA H 1 43 ALA H . . 2.900 2.676 2.659 2.740 . 0 0 "[ . 1 . 2]" 1
881 1 42 ALA H 1 45 ALA MB . . 4.790 4.556 4.314 4.667 . 0 0 "[ . 1 . 2]" 1
882 1 42 ALA HA 1 43 ALA H . . 3.620 3.493 3.475 3.523 . 0 0 "[ . 1 . 2]" 1
883 1 42 ALA HA 1 45 ALA H . . 3.510 3.165 3.107 3.235 . 0 0 "[ . 1 . 2]" 1
884 1 42 ALA HA 1 45 ALA MB . . 3.410 2.427 2.320 2.509 . 0 0 "[ . 1 . 2]" 1
885 1 42 ALA HA 1 46 GLU H . . 3.850 3.681 3.489 3.846 . 0 0 "[ . 1 . 2]" 1
886 1 42 ALA MB 1 43 ALA H . . 3.750 3.076 3.011 3.123 . 0 0 "[ . 1 . 2]" 1
887 1 42 ALA MB 1 43 ALA HA . . 4.900 3.872 3.828 3.938 . 0 0 "[ . 1 . 2]" 1
888 1 42 ALA MB 1 45 ALA MB . . 4.560 3.665 3.639 3.717 . 0 0 "[ . 1 . 2]" 1
889 1 42 ALA MB 1 64 TYR QE . . 5.090 4.268 3.759 4.505 . 0 0 "[ . 1 . 2]" 1
890 1 43 ALA H 1 43 ALA HA . . 2.830 2.820 2.816 2.823 . 0 0 "[ . 1 . 2]" 1
891 1 43 ALA H 1 43 ALA MB . . 2.440 2.106 1.981 2.169 . 0 0 "[ . 1 . 2]" 1
892 1 43 ALA H 1 44 THR H . . 3.030 2.595 2.564 2.630 . 0 0 "[ . 1 . 2]" 1
893 1 43 ALA H 1 44 THR HA . . 5.420 5.182 5.159 5.208 . 0 0 "[ . 1 . 2]" 1
894 1 43 ALA H 1 45 ALA H . . 4.050 4.008 3.929 4.052 0.002 18 0 "[ . 1 . 2]" 1
895 1 43 ALA H 1 45 ALA MB . . 4.940 4.688 4.558 4.785 . 0 0 "[ . 1 . 2]" 1
896 1 43 ALA HA 1 46 GLU H . . 4.330 3.506 3.414 3.595 . 0 0 "[ . 1 . 2]" 1
897 1 43 ALA HA 1 46 GLU HB2 . . 4.590 3.365 3.182 3.602 . 0 0 "[ . 1 . 2]" 1
898 1 43 ALA HA 1 46 GLU HB3 . . 3.500 2.672 2.479 3.044 . 0 0 "[ . 1 . 2]" 1
899 1 43 ALA HA 1 46 GLU QG . . 4.830 4.453 4.088 4.672 . 0 0 "[ . 1 . 2]" 1
900 1 43 ALA HA 1 47 LYS H . . 4.740 4.374 3.838 4.751 0.011 10 0 "[ . 1 . 2]" 1
901 1 43 ALA MB 1 44 THR H . . 2.830 2.604 2.483 2.717 . 0 0 "[ . 1 . 2]" 1
902 1 44 THR H 1 44 THR HB . . 2.690 2.254 2.088 2.515 . 0 0 "[ . 1 . 2]" 1
903 1 44 THR H 1 44 THR MG . . 4.250 3.659 3.582 3.686 . 0 0 "[ . 1 . 2]" 1
904 1 44 THR H 1 45 ALA H . . 2.800 2.574 2.532 2.650 . 0 0 "[ . 1 . 2]" 1
905 1 44 THR H 1 47 LYS QD . . 5.500 4.636 4.018 5.557 0.057 20 0 "[ . 1 . 2]" 1
906 1 44 THR HA 1 44 THR MG . . 3.250 2.469 2.284 2.667 . 0 0 "[ . 1 . 2]" 1
907 1 44 THR HA 1 45 ALA H . . 3.620 3.600 3.593 3.603 . 0 0 "[ . 1 . 2]" 1
908 1 44 THR HA 1 47 LYS H . . 4.080 3.438 3.341 3.527 . 0 0 "[ . 1 . 2]" 1
909 1 44 THR HA 1 47 LYS QB . . 3.940 3.422 3.117 3.923 . 0 0 "[ . 1 . 2]" 1
910 1 44 THR HA 1 47 LYS QD . . 4.140 2.406 1.848 4.144 0.004 20 0 "[ . 1 . 2]" 1
911 1 44 THR HA 1 47 LYS HG2 . . 4.670 3.378 1.973 4.693 0.023 6 0 "[ . 1 . 2]" 1
912 1 44 THR HA 1 47 LYS QG . . 4.050 2.758 1.950 3.523 . 0 0 "[ . 1 . 2]" 1
913 1 44 THR HA 1 47 LYS HG3 . . 4.670 3.419 1.980 4.605 . 0 0 "[ . 1 . 2]" 1
914 1 44 THR HB 1 45 ALA H . . 2.870 2.740 2.661 2.849 . 0 0 "[ . 1 . 2]" 1
915 1 44 THR HB 1 45 ALA MB . . 4.850 3.998 3.861 4.126 . 0 0 "[ . 1 . 2]" 1
916 1 44 THR MG 1 45 ALA H . . 4.320 3.454 3.069 3.804 . 0 0 "[ . 1 . 2]" 1
917 1 44 THR MG 1 45 ALA HA . . 4.570 3.565 3.124 3.999 . 0 0 "[ . 1 . 2]" 1
918 1 44 THR MG 1 48 VAL H . . 5.080 4.381 4.074 4.638 . 0 0 "[ . 1 . 2]" 1
919 1 44 THR MG 1 48 VAL QG . . 3.640 2.859 2.486 3.554 . 0 0 "[ . 1 . 2]" 1
920 1 45 ALA H 1 45 ALA MB . . 2.720 1.954 1.939 1.983 . 0 0 "[ . 1 . 2]" 1
921 1 45 ALA H 1 46 GLU H . . 3.010 2.590 2.567 2.667 . 0 0 "[ . 1 . 2]" 1
922 1 45 ALA H 1 46 GLU HA . . 5.370 5.105 5.088 5.166 . 0 0 "[ . 1 . 2]" 1
923 1 45 ALA H 1 46 GLU HB3 . . 5.070 4.720 4.579 4.924 . 0 0 "[ . 1 . 2]" 1
924 1 45 ALA HA 1 47 LYS H . . 4.780 4.386 4.009 4.679 . 0 0 "[ . 1 . 2]" 1
925 1 45 ALA HA 1 48 VAL H . . 3.720 3.256 3.117 3.441 . 0 0 "[ . 1 . 2]" 1
926 1 45 ALA HA 1 48 VAL HB . . 3.730 2.574 2.266 2.924 . 0 0 "[ . 1 . 2]" 1
927 1 45 ALA HA 1 48 VAL QG . . 3.680 2.645 2.159 3.233 . 0 0 "[ . 1 . 2]" 1
928 1 45 ALA HA 1 49 PHE H . . 4.270 4.098 3.966 4.279 0.009 6 0 "[ . 1 . 2]" 1
929 1 45 ALA MB 1 46 GLU H . . 2.880 2.803 2.780 2.823 . 0 0 "[ . 1 . 2]" 1
930 1 45 ALA MB 1 46 GLU HA . . 4.380 3.715 3.703 3.753 . 0 0 "[ . 1 . 2]" 1
931 1 45 ALA MB 1 46 GLU HB2 . . 5.500 4.293 4.089 4.414 . 0 0 "[ . 1 . 2]" 1
932 1 45 ALA MB 1 47 LYS H . . 5.390 4.669 4.473 4.802 . 0 0 "[ . 1 . 2]" 1
933 1 46 GLU H 1 46 GLU HB2 . . 2.710 2.539 2.413 2.683 . 0 0 "[ . 1 . 2]" 1
934 1 46 GLU H 1 46 GLU HB3 . . 2.680 2.413 2.281 2.534 . 0 0 "[ . 1 . 2]" 1
935 1 46 GLU H 1 46 GLU QG . . 4.320 3.930 3.877 3.978 . 0 0 "[ . 1 . 2]" 1
936 1 46 GLU H 1 47 LYS H . . 3.150 2.763 2.661 2.812 . 0 0 "[ . 1 . 2]" 1
937 1 46 GLU H 1 47 LYS QD . . 5.500 5.031 4.184 5.570 0.070 9 0 "[ . 1 . 2]" 1
938 1 46 GLU H 1 49 PHE HB3 . . 4.910 4.770 4.557 4.911 0.001 6 0 "[ . 1 . 2]" 1
939 1 46 GLU HA 1 46 GLU QG . . 3.120 2.501 2.325 2.773 . 0 0 "[ . 1 . 2]" 1
940 1 46 GLU HA 1 48 VAL H . . 4.970 4.292 4.014 4.611 . 0 0 "[ . 1 . 2]" 1
941 1 46 GLU HA 1 49 PHE H . . 3.560 3.231 3.102 3.358 . 0 0 "[ . 1 . 2]" 1
942 1 46 GLU HA 1 49 PHE HB2 . . 4.270 3.453 3.177 3.715 . 0 0 "[ . 1 . 2]" 1
943 1 46 GLU HA 1 49 PHE HB3 . . 3.890 2.336 2.092 2.519 . 0 0 "[ . 1 . 2]" 1
944 1 46 GLU HA 1 50 LYS H . . 4.230 3.990 3.840 4.102 . 0 0 "[ . 1 . 2]" 1
945 1 46 GLU HA 1 50 LYS QE . . 4.130 4.112 3.972 4.222 0.092 20 0 "[ . 1 . 2]" 1
946 1 46 GLU HA 1 50 LYS QG . . 4.820 3.643 3.504 3.847 . 0 0 "[ . 1 . 2]" 1
947 1 46 GLU HB2 1 47 LYS H . . 4.260 3.964 3.805 4.171 . 0 0 "[ . 1 . 2]" 1
948 1 46 GLU HB3 1 47 LYS H . . 2.940 2.645 2.445 2.918 . 0 0 "[ . 1 . 2]" 1
949 1 46 GLU QG 1 47 LYS H . . 4.270 3.543 3.200 3.755 . 0 0 "[ . 1 . 2]" 1
950 1 46 GLU QG 1 47 LYS HA . . 3.720 3.530 3.171 3.743 0.023 7 0 "[ . 1 . 2]" 1
951 1 46 GLU QG 1 50 LYS QD . . 4.200 3.476 3.039 3.751 . 0 0 "[ . 1 . 2]" 1
952 1 46 GLU QG 1 50 LYS QE . . 3.100 2.131 1.696 2.491 . 0 0 "[ . 1 . 2]" 1
953 1 46 GLU QG 1 50 LYS HG2 . . 4.300 2.837 2.489 3.613 . 0 0 "[ . 1 . 2]" 1
954 1 46 GLU QG 1 50 LYS QG . . 3.460 2.188 2.009 2.487 . 0 0 "[ . 1 . 2]" 1
955 1 46 GLU QG 1 50 LYS HG3 . . 4.300 2.294 2.086 2.535 . 0 0 "[ . 1 . 2]" 1
956 1 47 LYS H 1 47 LYS HA . . 2.820 2.792 2.775 2.820 . 19 0 "[ . 1 . 2]" 1
957 1 47 LYS H 1 47 LYS QB . . 3.080 2.452 2.095 2.692 . 0 0 "[ . 1 . 2]" 1
958 1 47 LYS H 1 47 LYS QD . . 4.710 3.289 2.258 3.934 . 0 0 "[ . 1 . 2]" 1
959 1 47 LYS H 1 47 LYS QG . . 2.910 2.120 1.865 2.896 . 0 0 "[ . 1 . 2]" 1
960 1 47 LYS H 1 48 VAL H . . 2.910 2.669 2.576 2.778 . 0 0 "[ . 1 . 2]" 1
961 1 47 LYS H 1 48 VAL QG . . 4.560 4.040 3.801 4.368 . 0 0 "[ . 1 . 2]" 1
962 1 47 LYS H 1 49 PHE H . . 4.290 4.078 3.961 4.211 . 0 0 "[ . 1 . 2]" 1
963 1 47 LYS H 1 49 PHE HB3 . . 5.340 4.856 4.604 5.050 . 0 0 "[ . 1 . 2]" 1
964 1 47 LYS H 1 50 LYS H . . 4.790 4.629 4.552 4.718 . 0 0 "[ . 1 . 2]" 1
965 1 47 LYS H 1 50 LYS QG . . 5.340 4.414 4.187 4.686 . 0 0 "[ . 1 . 2]" 1
966 1 47 LYS HA 1 47 LYS QG . . 3.580 2.909 2.448 3.321 . 0 0 "[ . 1 . 2]" 1
967 1 47 LYS HA 1 50 LYS H . . 3.440 3.344 3.222 3.444 0.004 10 0 "[ . 1 . 2]" 1
968 1 47 LYS HA 1 50 LYS HB2 . . 3.470 2.767 2.541 2.972 . 0 0 "[ . 1 . 2]" 1
969 1 47 LYS HA 1 50 LYS HB3 . . 4.770 4.414 4.198 4.579 . 0 0 "[ . 1 . 2]" 1
970 1 47 LYS HA 1 50 LYS QD . . 5.340 4.734 3.553 5.112 . 0 0 "[ . 1 . 2]" 1
971 1 47 LYS HA 1 50 LYS HG2 . . 4.870 4.131 3.761 4.921 0.051 20 0 "[ . 1 . 2]" 1
972 1 47 LYS HA 1 50 LYS QG . . 4.120 3.032 2.695 3.366 . 0 0 "[ . 1 . 2]" 1
973 1 47 LYS HA 1 50 LYS HG3 . . 4.870 3.125 2.732 3.431 . 0 0 "[ . 1 . 2]" 1
974 1 47 LYS QB 1 48 VAL H . . 3.940 3.026 2.486 3.670 . 0 0 "[ . 1 . 2]" 1
975 1 47 LYS QD 1 47 LYS QG . . 2.430 2.057 1.991 2.135 . 0 0 "[ . 1 . 2]" 1
976 1 47 LYS QG 1 48 VAL H . . 4.040 3.244 2.002 4.080 0.040 6 0 "[ . 1 . 2]" 1
977 1 48 VAL H 1 48 VAL HB . . 2.550 2.349 2.231 2.540 . 0 0 "[ . 1 . 2]" 1
978 1 48 VAL H 1 48 VAL MG1 . . 3.740 3.689 3.653 3.708 . 0 0 "[ . 1 . 2]" 1
979 1 48 VAL H 1 48 VAL QG . . 2.700 2.207 1.922 2.456 . 0 0 "[ . 1 . 2]" 1
980 1 48 VAL H 1 48 VAL MG2 . . 3.740 2.227 1.928 2.495 . 0 0 "[ . 1 . 2]" 1
981 1 48 VAL H 1 49 PHE H . . 2.780 2.580 2.468 2.707 . 0 0 "[ . 1 . 2]" 1
982 1 48 VAL H 1 49 PHE HB2 . . 5.260 5.067 4.838 5.207 . 0 0 "[ . 1 . 2]" 1
983 1 48 VAL H 1 49 PHE HB3 . . 4.670 4.379 4.221 4.548 . 0 0 "[ . 1 . 2]" 1
984 1 48 VAL H 1 50 LYS H . . 4.310 4.059 3.945 4.181 . 0 0 "[ . 1 . 2]" 1
985 1 48 VAL HA 1 48 VAL MG1 . . 3.290 2.448 2.322 2.554 . 0 0 "[ . 1 . 2]" 1
986 1 48 VAL HA 1 48 VAL QG . . 2.870 2.124 2.027 2.182 . 0 0 "[ . 1 . 2]" 1
987 1 48 VAL HA 1 48 VAL MG2 . . 3.290 2.342 2.135 2.464 . 0 0 "[ . 1 . 2]" 1
988 1 48 VAL HA 1 50 LYS H . . 5.330 4.441 4.309 4.510 . 0 0 "[ . 1 . 2]" 1
989 1 48 VAL HA 1 51 GLN H . . 3.450 3.339 3.217 3.448 . 0 0 "[ . 1 . 2]" 1
990 1 48 VAL HA 1 51 GLN HB2 . . 4.220 3.161 2.987 3.278 . 0 0 "[ . 1 . 2]" 1
991 1 48 VAL HA 1 51 GLN HB3 . . 4.360 2.786 2.583 3.028 . 0 0 "[ . 1 . 2]" 1
992 1 48 VAL HA 1 52 TYR H . . 4.340 4.139 3.865 4.346 0.006 7 0 "[ . 1 . 2]" 1
993 1 48 VAL HB 1 49 PHE H . . 2.740 2.726 2.647 2.748 0.008 8 0 "[ . 1 . 2]" 1
994 1 48 VAL HB 1 50 LYS H . . 5.500 5.098 5.040 5.135 . 0 0 "[ . 1 . 2]" 1
995 1 48 VAL QG 1 49 PHE HB2 . . 5.190 4.389 4.160 4.575 . 0 0 "[ . 1 . 2]" 1
996 1 48 VAL QG 1 51 GLN H . . 4.870 4.235 4.131 4.313 . 0 0 "[ . 1 . 2]" 1
997 1 48 VAL QG 1 52 TYR H . . 4.330 3.965 3.757 4.122 . 0 0 "[ . 1 . 2]" 1
998 1 48 VAL QG 1 52 TYR QB . . 4.480 3.372 3.212 3.532 . 0 0 "[ . 1 . 2]" 1
999 1 48 VAL MG1 1 49 PHE H . . 4.290 3.523 3.223 3.751 . 0 0 "[ . 1 . 2]" 1
1000 1 48 VAL MG2 1 49 PHE H . . 4.290 3.942 3.792 4.055 . 0 0 "[ . 1 . 2]" 1
1001 1 49 PHE H 1 49 PHE HB2 . . 3.110 2.623 2.521 2.719 . 0 0 "[ . 1 . 2]" 1
1002 1 49 PHE H 1 49 PHE HB3 . . 2.810 2.108 2.038 2.184 . 0 0 "[ . 1 . 2]" 1
1003 1 49 PHE H 1 50 LYS H . . 2.920 2.640 2.605 2.725 . 0 0 "[ . 1 . 2]" 1
1004 1 49 PHE H 1 50 LYS HA . . 5.340 5.202 5.171 5.274 . 0 0 "[ . 1 . 2]" 1
1005 1 49 PHE H 1 51 GLN HB2 . . 5.500 5.496 5.442 5.515 0.015 7 0 "[ . 1 . 2]" 1
1006 1 49 PHE HB2 1 50 LYS H . . 4.190 3.994 3.942 4.055 . 0 0 "[ . 1 . 2]" 1
1007 1 49 PHE HB2 1 62 TRP HZ3 . . 5.180 5.066 4.890 5.184 0.004 5 0 "[ . 1 . 2]" 1
1008 1 49 PHE HB3 1 50 LYS H . . 3.300 2.628 2.568 2.717 . 0 0 "[ . 1 . 2]" 1
1009 1 49 PHE HB3 1 50 LYS QG . . 5.270 3.054 2.849 3.365 . 0 0 "[ . 1 . 2]" 1
1010 1 49 PHE HB3 1 62 TRP HZ3 . . 4.470 4.292 4.011 4.455 . 0 0 "[ . 1 . 2]" 1
1011 1 50 LYS H 1 50 LYS HB2 . . 2.800 2.512 2.390 2.635 . 0 0 "[ . 1 . 2]" 1
1012 1 50 LYS H 1 50 LYS HB3 . . 3.880 3.553 3.537 3.562 . 0 0 "[ . 1 . 2]" 1
1013 1 50 LYS H 1 50 LYS HD2 . . 5.100 4.739 4.338 4.851 . 0 0 "[ . 1 . 2]" 1
1014 1 50 LYS H 1 50 LYS QD . . 4.230 4.010 3.816 4.235 0.005 6 0 "[ . 1 . 2]" 1
1015 1 50 LYS H 1 50 LYS HD3 . . 5.100 4.356 4.033 4.911 . 0 0 "[ . 1 . 2]" 1
1016 1 50 LYS H 1 50 LYS HG2 . . 3.200 2.284 1.968 3.274 0.074 6 0 "[ . 1 . 2]" 1
1017 1 50 LYS H 1 50 LYS QG . . 2.800 2.097 1.943 2.276 . 0 0 "[ . 1 . 2]" 1
1018 1 50 LYS H 1 50 LYS HG3 . . 3.200 2.893 2.241 3.173 . 0 0 "[ . 1 . 2]" 1
1019 1 50 LYS H 1 51 GLN H . . 2.900 2.518 2.471 2.590 . 0 0 "[ . 1 . 2]" 1
1020 1 50 LYS H 1 51 GLN HB2 . . 4.720 4.599 4.525 4.649 . 0 0 "[ . 1 . 2]" 1
1021 1 50 LYS H 1 52 TYR H . . 4.280 3.910 3.824 4.167 . 0 0 "[ . 1 . 2]" 1
1022 1 50 LYS HA 1 50 LYS QD . . 3.780 2.798 2.345 3.838 0.058 7 0 "[ . 1 . 2]" 1
1023 1 50 LYS HA 1 50 LYS QE . . 4.540 4.025 3.453 4.638 0.098 6 0 "[ . 1 . 2]" 1
1024 1 50 LYS HA 1 50 LYS HG2 . . 3.970 2.627 2.331 2.797 . 0 0 "[ . 1 . 2]" 1
1025 1 50 LYS HA 1 50 LYS HG3 . . 3.970 3.680 3.122 3.805 . 0 0 "[ . 1 . 2]" 1
1026 1 50 LYS HA 1 52 TYR H . . 4.970 4.143 4.005 4.576 . 0 0 "[ . 1 . 2]" 1
1027 1 50 LYS HA 1 53 ALA MB . . 3.560 3.085 2.956 3.229 . 0 0 "[ . 1 . 2]" 1
1028 1 50 LYS HA 1 54 ASN H . . 5.250 4.163 4.035 4.268 . 0 0 "[ . 1 . 2]" 1
1029 1 50 LYS HA 1 62 TRP HH2 . . 3.720 2.148 2.056 2.233 . 0 0 "[ . 1 . 2]" 1
1030 1 50 LYS HB2 1 51 GLN H . . 4.430 2.922 2.876 2.953 . 0 0 "[ . 1 . 2]" 1
1031 1 50 LYS HB3 1 51 GLN H . . 4.420 3.994 3.871 4.103 . 0 0 "[ . 1 . 2]" 1
1032 1 50 LYS QE 1 50 LYS QG . . 3.230 2.124 2.038 2.257 . 0 0 "[ . 1 . 2]" 1
1033 1 50 LYS QG 1 51 GLN H . . 4.450 4.022 3.880 4.182 . 0 0 "[ . 1 . 2]" 1
1034 1 50 LYS HG2 1 51 GLN H . . 5.170 4.417 4.232 5.027 . 0 0 "[ . 1 . 2]" 1
1035 1 50 LYS HG3 1 51 GLN H . . 5.170 4.693 4.424 4.867 . 0 0 "[ . 1 . 2]" 1
1036 1 51 GLN H 1 51 GLN HB2 . . 2.590 2.319 2.277 2.382 . 0 0 "[ . 1 . 2]" 1
1037 1 51 GLN H 1 51 GLN HB3 . . 2.720 2.694 2.610 2.736 0.016 7 0 "[ . 1 . 2]" 1
1038 1 51 GLN H 1 51 GLN HG2 . . 5.430 4.597 4.315 4.641 . 0 0 "[ . 1 . 2]" 1
1039 1 51 GLN H 1 51 GLN QG . . 4.680 4.025 3.957 4.052 . 0 0 "[ . 1 . 2]" 1
1040 1 51 GLN H 1 51 GLN HG3 . . 5.430 4.455 4.409 4.599 . 0 0 "[ . 1 . 2]" 1
1041 1 51 GLN H 1 52 TYR H . . 2.920 2.491 2.469 2.587 . 0 0 "[ . 1 . 2]" 1
1042 1 51 GLN H 1 52 TYR HA . . 5.500 5.056 5.025 5.150 . 0 0 "[ . 1 . 2]" 1
1043 1 51 GLN H 1 52 TYR QB . . 4.060 3.965 3.937 4.027 . 0 0 "[ . 1 . 2]" 1
1044 1 51 GLN H 1 52 TYR QD . . 5.500 5.497 5.438 5.523 0.023 17 0 "[ . 1 . 2]" 1
1045 1 51 GLN H 1 54 ASN QB . . 4.700 4.603 4.528 4.670 . 0 0 "[ . 1 . 2]" 1
1046 1 51 GLN H 1 62 TRP HH2 . . 5.390 5.314 5.159 5.401 0.011 12 0 "[ . 1 . 2]" 1
1047 1 51 GLN HA 1 51 GLN HB2 . . 2.990 2.608 2.562 2.631 . 0 0 "[ . 1 . 2]" 1
1048 1 51 GLN HA 1 51 GLN HE21 . . 4.590 3.293 1.957 4.285 . 0 0 "[ . 1 . 2]" 1
1049 1 51 GLN HA 1 51 GLN QE . . 3.930 3.099 1.945 3.916 . 0 0 "[ . 1 . 2]" 1
1050 1 51 GLN HA 1 51 GLN HE22 . . 4.590 3.890 3.368 4.530 . 0 0 "[ . 1 . 2]" 1
1051 1 51 GLN HA 1 51 GLN QG . . 3.290 2.557 2.434 2.830 . 0 0 "[ . 1 . 2]" 1
1052 1 51 GLN HA 1 54 ASN H . . 3.580 3.447 3.375 3.503 . 0 0 "[ . 1 . 2]" 1
1053 1 51 GLN HA 1 54 ASN QB . . 3.110 2.343 2.284 2.395 . 0 0 "[ . 1 . 2]" 1
1054 1 51 GLN HA 1 54 ASN HD21 . . 4.810 3.240 2.449 3.954 . 0 0 "[ . 1 . 2]" 1
1055 1 51 GLN HA 1 54 ASN QD . . 4.120 3.172 2.432 3.778 . 0 0 "[ . 1 . 2]" 1
1056 1 51 GLN HA 1 54 ASN HD22 . . 4.810 4.668 4.141 4.822 0.012 18 0 "[ . 1 . 2]" 1
1057 1 51 GLN HA 1 55 ASP H . . 4.110 4.101 4.055 4.132 0.022 19 0 "[ . 1 . 2]" 1
1058 1 51 GLN HB2 1 51 GLN HE21 . . 4.810 3.516 1.946 4.405 . 0 0 "[ . 1 . 2]" 1
1059 1 51 GLN HB2 1 51 GLN QE . . 4.000 3.280 1.936 3.996 . 0 0 "[ . 1 . 2]" 1
1060 1 51 GLN HB2 1 51 GLN HE22 . . 4.810 4.201 3.435 4.851 0.041 18 0 "[ . 1 . 2]" 1
1061 1 51 GLN HB2 1 52 TYR H . . 4.390 3.894 3.732 3.971 . 0 0 "[ . 1 . 2]" 1
1062 1 51 GLN HB2 1 54 ASN QB . . 5.340 4.760 4.676 4.818 . 0 0 "[ . 1 . 2]" 1
1063 1 51 GLN HB3 1 52 TYR H . . 3.110 2.976 2.582 3.099 . 0 0 "[ . 1 . 2]" 1
1064 1 51 GLN HB3 1 54 ASN H . . 5.500 5.481 5.281 5.513 0.013 12 0 "[ . 1 . 2]" 1
1065 1 51 GLN HB3 1 54 ASN QB . . 5.340 4.872 4.779 4.948 . 0 0 "[ . 1 . 2]" 1
1066 1 51 GLN QE 1 54 ASN QB . . 4.210 3.703 2.629 4.233 0.023 17 0 "[ . 1 . 2]" 1
1067 1 51 GLN QG 1 52 TYR H . . 4.320 4.269 4.148 4.400 0.080 18 0 "[ . 1 . 2]" 1
1068 1 51 GLN HG2 1 52 TYR H . . 5.180 5.143 4.997 5.198 0.018 4 0 "[ . 1 . 2]" 1
1069 1 51 GLN HG3 1 52 TYR H . . 5.180 4.569 4.363 4.883 . 0 0 "[ . 1 . 2]" 1
1070 1 52 TYR H 1 52 TYR QB . . 2.530 1.888 1.843 1.905 . 0 0 "[ . 1 . 2]" 1
1071 1 52 TYR H 1 52 TYR QD . . 3.710 3.674 3.421 3.726 0.016 5 0 "[ . 1 . 2]" 1
1072 1 52 TYR H 1 53 ALA H . . 2.970 2.693 2.657 2.844 . 0 0 "[ . 1 . 2]" 1
1073 1 52 TYR H 1 53 ALA MB . . 4.510 4.192 4.149 4.325 . 0 0 "[ . 1 . 2]" 1
1074 1 52 TYR H 1 54 ASN QB . . 4.870 4.525 4.461 4.607 . 0 0 "[ . 1 . 2]" 1
1075 1 52 TYR HA 1 52 TYR QD . . 3.700 3.041 2.934 3.096 . 0 0 "[ . 1 . 2]" 1
1076 1 52 TYR HA 1 55 ASP HB2 . . 4.190 3.065 2.400 3.711 . 0 0 "[ . 1 . 2]" 1
1077 1 52 TYR HA 1 55 ASP QB . . 3.390 2.585 2.362 2.727 . 0 0 "[ . 1 . 2]" 1
1078 1 52 TYR HA 1 55 ASP HB3 . . 4.190 2.912 2.507 3.523 . 0 0 "[ . 1 . 2]" 1
1079 1 52 TYR HA 1 56 ASN H . . 5.500 4.659 4.594 4.705 . 0 0 "[ . 1 . 2]" 1
1080 1 52 TYR HA 1 56 ASN QD . . 4.100 3.607 3.546 3.670 . 0 0 "[ . 1 . 2]" 1
1081 1 52 TYR QB 1 53 ALA H . . 2.720 2.249 2.226 2.287 . 0 0 "[ . 1 . 2]" 1
1082 1 52 TYR QB 1 53 ALA HA . . 4.740 3.662 3.637 3.679 . 0 0 "[ . 1 . 2]" 1
1083 1 52 TYR QB 1 53 ALA MB . . 4.440 3.434 3.406 3.474 . 0 0 "[ . 1 . 2]" 1
1084 1 52 TYR QB 1 55 ASP H . . 5.170 4.683 4.612 4.755 . 0 0 "[ . 1 . 2]" 1
1085 1 52 TYR QB 1 56 ASN QD . . 5.080 4.202 3.726 4.271 . 0 0 "[ . 1 . 2]" 1
1086 1 52 TYR QD 1 53 ALA H . . 4.440 4.088 4.018 4.196 . 0 0 "[ . 1 . 2]" 1
1087 1 52 TYR QD 1 53 ALA HA . . 4.850 4.010 3.903 4.282 . 0 0 "[ . 1 . 2]" 1
1088 1 52 TYR QE 1 56 ASN QD . . 4.280 3.727 3.423 4.120 . 0 0 "[ . 1 . 2]" 1
1089 1 53 ALA H 1 53 ALA MB . . 2.580 1.950 1.937 1.983 . 0 0 "[ . 1 . 2]" 1
1090 1 53 ALA H 1 54 ASN H . . 3.010 2.658 2.632 2.672 . 0 0 "[ . 1 . 2]" 1
1091 1 53 ALA H 1 54 ASN HA . . 5.210 5.169 5.152 5.180 . 0 0 "[ . 1 . 2]" 1
1092 1 53 ALA H 1 54 ASN QB . . 4.630 4.390 4.295 4.447 . 0 0 "[ . 1 . 2]" 1
1093 1 53 ALA H 1 55 ASP QB . . 4.980 4.865 4.735 4.955 . 0 0 "[ . 1 . 2]" 1
1094 1 53 ALA H 1 56 ASN QD . . 5.500 4.722 3.994 4.778 . 0 0 "[ . 1 . 2]" 1
1095 1 53 ALA H 1 62 TRP HH2 . . 3.920 3.300 3.090 3.546 . 0 0 "[ . 1 . 2]" 1
1096 1 53 ALA H 1 73 VAL MG2 . . 5.370 5.062 4.910 5.272 . 0 0 "[ . 1 . 2]" 1
1097 1 53 ALA HA 1 54 ASN H . . 3.630 3.578 3.574 3.591 . 0 0 "[ . 1 . 2]" 1
1098 1 53 ALA HA 1 55 ASP H . . 4.410 4.313 4.146 4.411 0.001 18 0 "[ . 1 . 2]" 1
1099 1 53 ALA HA 1 56 ASN H . . 4.230 3.343 3.264 3.396 . 0 0 "[ . 1 . 2]" 1
1100 1 53 ALA HA 1 56 ASN HB2 . . 4.020 2.728 2.609 3.044 . 0 0 "[ . 1 . 2]" 1
1101 1 53 ALA HA 1 56 ASN HB3 . . 4.770 4.323 4.202 4.703 . 0 0 "[ . 1 . 2]" 1
1102 1 53 ALA HA 1 56 ASN QD . . 4.320 3.500 2.317 3.602 . 0 0 "[ . 1 . 2]" 1
1103 1 53 ALA HA 1 58 VAL H . . 4.390 4.125 3.954 4.226 . 0 0 "[ . 1 . 2]" 1
1104 1 53 ALA HA 1 58 VAL HB . . 4.610 4.182 3.911 4.411 . 0 0 "[ . 1 . 2]" 1
1105 1 53 ALA HA 1 58 VAL QG . . 4.990 4.552 4.388 4.728 . 0 0 "[ . 1 . 2]" 1
1106 1 53 ALA MB 1 54 ASN H . . 2.870 2.818 2.746 2.847 . 0 0 "[ . 1 . 2]" 1
1107 1 53 ALA MB 1 54 ASN HA . . 4.460 3.727 3.706 3.736 . 0 0 "[ . 1 . 2]" 1
1108 1 53 ALA MB 1 54 ASN QB . . 5.310 4.133 3.939 4.307 . 0 0 "[ . 1 . 2]" 1
1109 1 53 ALA MB 1 55 ASP H . . 4.640 4.566 4.454 4.632 . 0 0 "[ . 1 . 2]" 1
1110 1 53 ALA MB 1 56 ASN QD . . 5.340 4.709 3.881 4.783 . 0 0 "[ . 1 . 2]" 1
1111 1 53 ALA MB 1 60 GLY H . . 5.410 5.346 5.181 5.426 0.016 18 0 "[ . 1 . 2]" 1
1112 1 53 ALA MB 1 62 TRP HE1 . . 4.560 4.408 4.244 4.537 . 0 0 "[ . 1 . 2]" 1
1113 1 53 ALA MB 1 62 TRP HH2 . . 3.860 1.772 1.766 1.784 . 0 0 "[ . 1 . 2]" 1
1114 1 53 ALA MB 1 62 TRP HZ2 . . 3.380 2.258 2.113 2.385 . 0 0 "[ . 1 . 2]" 1
1115 1 53 ALA MB 1 73 VAL HB . . 5.500 3.435 3.220 3.627 . 0 0 "[ . 1 . 2]" 1
1116 1 53 ALA MB 1 73 VAL MG1 . . 3.880 2.757 2.585 3.003 . 0 0 "[ . 1 . 2]" 1
1117 1 53 ALA MB 1 73 VAL MG2 . . 4.320 2.377 2.232 2.475 . 0 0 "[ . 1 . 2]" 1
1118 1 54 ASN H 1 54 ASN HA . . 2.860 2.783 2.766 2.795 . 0 0 "[ . 1 . 2]" 1
1119 1 54 ASN H 1 54 ASN QB . . 2.460 2.133 2.004 2.178 . 0 0 "[ . 1 . 2]" 1
1120 1 54 ASN H 1 54 ASN QD . . 4.260 3.819 2.065 4.261 0.001 7 0 "[ . 1 . 2]" 1
1121 1 54 ASN H 1 55 ASP H . . 2.930 2.559 2.497 2.622 . 0 0 "[ . 1 . 2]" 1
1122 1 54 ASN H 1 56 ASN H . . 3.990 3.817 3.781 4.003 0.013 19 0 "[ . 1 . 2]" 1
1123 1 54 ASN HA 1 54 ASN QD . . 4.280 3.823 2.596 4.197 . 0 0 "[ . 1 . 2]" 1
1124 1 54 ASN HA 1 54 ASN HD22 . . 5.100 4.507 3.556 4.917 . 0 0 "[ . 1 . 2]" 1
1125 1 54 ASN HA 1 57 GLY H . . 3.680 2.974 2.878 3.026 . 0 0 "[ . 1 . 2]" 1
1126 1 54 ASN HA 1 58 VAL H . . 4.250 3.975 3.655 4.212 . 0 0 "[ . 1 . 2]" 1
1127 1 54 ASN QB 1 55 ASP H . . 2.940 2.673 2.593 2.772 . 0 0 "[ . 1 . 2]" 1
1128 1 54 ASN QB 1 62 TRP HH2 . . 5.200 4.785 4.335 5.209 0.009 17 0 "[ . 1 . 2]" 1
1129 1 54 ASN HB2 1 56 ASN H . . 5.500 5.099 4.777 5.501 0.001 4 0 "[ . 1 . 2]" 1
1130 1 54 ASN HB2 1 57 GLY H . . 5.500 5.180 5.121 5.255 . 0 0 "[ . 1 . 2]" 1
1131 1 54 ASN HB3 1 56 ASN H . . 5.500 4.863 4.709 5.062 . 0 0 "[ . 1 . 2]" 1
1132 1 54 ASN HB3 1 57 GLY H . . 5.500 4.832 4.595 5.151 . 0 0 "[ . 1 . 2]" 1
1133 1 55 ASP H 1 55 ASP HB2 . . 3.240 2.371 2.013 2.765 . 0 0 "[ . 1 . 2]" 1
1134 1 55 ASP H 1 55 ASP QB . . 2.630 2.139 1.990 2.188 . 0 0 "[ . 1 . 2]" 1
1135 1 55 ASP H 1 55 ASP HB3 . . 3.240 2.576 2.187 3.129 . 0 0 "[ . 1 . 2]" 1
1136 1 55 ASP H 1 56 ASN H . . 3.020 2.589 2.512 2.683 . 0 0 "[ . 1 . 2]" 1
1137 1 55 ASP H 1 56 ASN HB2 . . 4.940 4.746 4.657 4.946 0.006 19 0 "[ . 1 . 2]" 1
1138 1 55 ASP H 1 56 ASN QD . . 4.340 3.312 3.232 3.557 . 0 0 "[ . 1 . 2]" 1
1139 1 55 ASP H 1 57 GLY H . . 4.120 3.865 3.740 3.902 . 0 0 "[ . 1 . 2]" 1
1140 1 55 ASP HA 1 56 ASN H . . 3.580 3.511 3.506 3.583 0.003 19 0 "[ . 1 . 2]" 1
1141 1 55 ASP HA 1 57 GLY H . . 4.830 3.995 3.971 4.082 . 0 0 "[ . 1 . 2]" 1
1142 1 55 ASP QB 1 56 ASN H . . 3.690 2.971 2.690 3.072 . 0 0 "[ . 1 . 2]" 1
1143 1 55 ASP QB 1 56 ASN QD . . 3.350 2.217 2.063 2.761 . 0 0 "[ . 1 . 2]" 1
1144 1 56 ASN H 1 56 ASN HB2 . . 2.870 2.371 2.364 2.440 . 0 0 "[ . 1 . 2]" 1
1145 1 56 ASN H 1 56 ASN QD . . 3.240 1.885 1.876 1.994 . 0 0 "[ . 1 . 2]" 1
1146 1 56 ASN H 1 57 GLY H . . 2.860 2.187 2.160 2.239 . 0 0 "[ . 1 . 2]" 1
1147 1 56 ASN H 1 58 VAL H . . 3.760 3.633 3.549 3.723 . 0 0 "[ . 1 . 2]" 1
1148 1 56 ASN H 1 58 VAL QG . . 5.280 4.767 4.688 4.842 . 0 0 "[ . 1 . 2]" 1
1149 1 56 ASN HA 1 56 ASN QD . . 4.410 2.542 2.457 3.560 . 0 0 "[ . 1 . 2]" 1
1150 1 56 ASN HB2 1 56 ASN QD . . 3.200 2.763 2.251 2.804 . 0 0 "[ . 1 . 2]" 1
1151 1 56 ASN HB2 1 57 GLY H . . 3.900 3.138 3.131 3.140 . 0 0 "[ . 1 . 2]" 1
1152 1 56 ASN HB2 1 58 VAL H . . 4.340 2.639 2.423 2.837 . 0 0 "[ . 1 . 2]" 1
1153 1 56 ASN HB2 1 58 VAL QG . . 4.160 3.172 2.897 3.340 . 0 0 "[ . 1 . 2]" 1
1154 1 56 ASN HB3 1 57 GLY H . . 4.160 4.040 4.034 4.106 . 0 0 "[ . 1 . 2]" 1
1155 1 56 ASN HB3 1 58 VAL H . . 4.320 3.434 3.177 3.731 . 0 0 "[ . 1 . 2]" 1
1156 1 56 ASN HB3 1 58 VAL QG . . 4.230 2.376 2.236 2.650 . 0 0 "[ . 1 . 2]" 1
1157 1 56 ASN QD 1 57 GLY H . . 4.510 3.826 3.815 3.887 . 0 0 "[ . 1 . 2]" 1
1158 1 56 ASN QD 1 58 VAL H . . 5.180 4.819 4.165 4.981 . 0 0 "[ . 1 . 2]" 1
1159 1 57 GLY H 1 57 GLY QA . . 2.500 2.173 2.165 2.183 . 0 0 "[ . 1 . 2]" 1
1160 1 57 GLY H 1 58 VAL H . . 3.090 2.551 2.507 2.611 . 0 0 "[ . 1 . 2]" 1
1161 1 57 GLY H 1 58 VAL HB . . 5.080 4.726 4.658 4.825 . 0 0 "[ . 1 . 2]" 1
1162 1 57 GLY H 1 58 VAL QG . . 4.270 4.263 4.212 4.276 0.006 16 0 "[ . 1 . 2]" 1
1163 1 57 GLY QA 1 58 VAL QG . . 4.800 3.690 3.613 3.821 . 0 0 "[ . 1 . 2]" 1
1164 1 58 VAL H 1 58 VAL HB . . 2.770 2.418 2.314 2.502 . 0 0 "[ . 1 . 2]" 1
1165 1 58 VAL H 1 58 VAL MG1 . . 3.980 3.734 3.693 3.763 . 0 0 "[ . 1 . 2]" 1
1166 1 58 VAL H 1 58 VAL QG . . 2.900 2.772 2.591 2.898 . 0 0 "[ . 1 . 2]" 1
1167 1 58 VAL H 1 58 VAL MG2 . . 3.980 2.860 2.646 3.027 . 0 0 "[ . 1 . 2]" 1
1168 1 58 VAL H 1 59 ASP H . . 4.620 4.457 4.397 4.533 . 0 0 "[ . 1 . 2]" 1
1169 1 58 VAL H 1 73 VAL MG1 . . 5.310 4.758 4.654 4.921 . 0 0 "[ . 1 . 2]" 1
1170 1 58 VAL HA 1 58 VAL MG1 . . 3.360 2.441 2.368 2.540 . 0 0 "[ . 1 . 2]" 1
1171 1 58 VAL HA 1 58 VAL MG2 . . 3.360 2.237 2.187 2.284 . 0 0 "[ . 1 . 2]" 1
1172 1 58 VAL HA 1 59 ASP H . . 2.410 2.217 2.216 2.218 . 0 0 "[ . 1 . 2]" 1
1173 1 58 VAL HA 1 75 GLU QG . . 4.860 3.309 3.019 3.915 . 0 0 "[ . 1 . 2]" 1
1174 1 58 VAL HB 1 59 ASP H . . 4.480 4.273 4.240 4.322 . 0 0 "[ . 1 . 2]" 1
1175 1 58 VAL QG 1 59 ASP H . . 2.940 2.370 2.323 2.596 . 0 0 "[ . 1 . 2]" 1
1176 1 58 VAL QG 1 59 ASP HA . . 4.260 3.413 3.242 3.516 . 0 0 "[ . 1 . 2]" 1
1177 1 58 VAL QG 1 73 VAL MG1 . . 3.990 2.153 1.980 2.366 . 0 0 "[ . 1 . 2]" 1
1178 1 58 VAL QG 1 73 VAL MG2 . . 4.650 3.552 3.395 3.705 . 0 0 "[ . 1 . 2]" 1
1179 1 58 VAL QG 1 75 GLU H . . 4.320 3.549 3.455 3.636 . 0 0 "[ . 1 . 2]" 1
1180 1 58 VAL QG 1 75 GLU HA . . 4.970 3.345 3.177 3.575 . 0 0 "[ . 1 . 2]" 1
1181 1 58 VAL QG 1 75 GLU QB . . 4.160 1.906 1.831 2.119 . 0 0 "[ . 1 . 2]" 1
1182 1 58 VAL QG 1 75 GLU QG . . 3.750 2.069 1.821 2.509 . 0 0 "[ . 1 . 2]" 1
1183 1 58 VAL MG1 1 59 ASP H . . 4.290 2.389 2.339 2.631 . 0 0 "[ . 1 . 2]" 1
1184 1 58 VAL MG2 1 59 ASP H . . 4.290 3.958 3.826 4.022 . 0 0 "[ . 1 . 2]" 1
1185 1 59 ASP H 1 59 ASP HB2 . . 3.950 3.325 2.666 3.901 . 0 0 "[ . 1 . 2]" 1
1186 1 59 ASP H 1 59 ASP QB . . 3.310 2.893 2.583 3.231 . 0 0 "[ . 1 . 2]" 1
1187 1 59 ASP H 1 59 ASP HB3 . . 3.950 3.423 2.659 3.898 . 0 0 "[ . 1 . 2]" 1
1188 1 59 ASP H 1 60 GLY H . . 4.370 4.296 4.208 4.347 . 0 0 "[ . 1 . 2]" 1
1189 1 59 ASP H 1 73 VAL MG1 . . 4.880 4.748 4.586 4.887 0.007 12 0 "[ . 1 . 2]" 1
1190 1 59 ASP H 1 73 VAL MG2 . . 5.310 5.110 5.022 5.215 . 0 0 "[ . 1 . 2]" 1
1191 1 59 ASP H 1 75 GLU QB . . 5.040 4.214 4.002 4.633 . 0 0 "[ . 1 . 2]" 1
1192 1 59 ASP H 1 75 GLU QG . . 3.360 2.577 2.312 2.888 . 0 0 "[ . 1 . 2]" 1
1193 1 59 ASP HA 1 60 GLY H . . 2.620 2.323 2.274 2.371 . 0 0 "[ . 1 . 2]" 1
1194 1 59 ASP HA 1 62 TRP HE1 . . 3.930 2.388 2.295 2.483 . 0 0 "[ . 1 . 2]" 1
1195 1 59 ASP HA 1 73 VAL MG2 . . 4.260 3.147 3.082 3.293 . 0 0 "[ . 1 . 2]" 1
1196 1 59 ASP QB 1 60 GLY H . . 3.640 3.113 2.838 3.638 . 0 0 "[ . 1 . 2]" 1
1197 1 59 ASP HB2 1 60 GLY H . . 4.440 3.651 2.918 4.440 . 0 0 "[ . 1 . 2]" 1
1198 1 59 ASP HB2 1 62 TRP HE1 . . 5.340 3.602 2.608 4.467 . 0 0 "[ . 1 . 2]" 1
1199 1 59 ASP HB3 1 60 GLY H . . 4.440 3.721 3.004 4.240 . 0 0 "[ . 1 . 2]" 1
1200 1 59 ASP HB3 1 62 TRP HE1 . . 5.340 3.516 2.877 4.399 . 0 0 "[ . 1 . 2]" 1
1201 1 60 GLY H 1 60 GLY HA3 . . 2.950 2.765 2.701 2.805 . 0 0 "[ . 1 . 2]" 1
1202 1 60 GLY H 1 61 GLU H . . 3.840 3.745 3.658 3.841 0.001 19 0 "[ . 1 . 2]" 1
1203 1 60 GLY H 1 62 TRP HE1 . . 3.200 1.965 1.899 2.057 . 0 0 "[ . 1 . 2]" 1
1204 1 60 GLY H 1 73 VAL MG1 . . 4.280 4.266 4.133 4.288 0.008 2 0 "[ . 1 . 2]" 1
1205 1 60 GLY H 1 73 VAL MG2 . . 3.060 3.013 2.832 3.072 0.012 19 0 "[ . 1 . 2]" 1
1206 1 60 GLY H 1 75 GLU QG . . 4.800 4.782 4.678 4.806 0.006 5 0 "[ . 1 . 2]" 1
1207 1 60 GLY HA2 1 61 GLU H . . 3.410 3.353 3.326 3.372 . 0 0 "[ . 1 . 2]" 1
1208 1 60 GLY HA2 1 61 GLU QB . . 5.340 4.666 4.639 4.693 . 0 0 "[ . 1 . 2]" 1
1209 1 60 GLY HA2 1 73 VAL MG2 . . 5.240 5.242 5.192 5.255 0.015 9 0 "[ . 1 . 2]" 1
1210 1 60 GLY HA2 1 75 GLU QG . . 4.530 4.457 4.276 4.535 0.005 10 0 "[ . 1 . 2]" 1
1211 1 60 GLY HA3 1 61 GLU H . . 2.660 2.202 2.199 2.205 . 0 0 "[ . 1 . 2]" 1
1212 1 60 GLY HA3 1 62 TRP HE1 . . 4.770 4.719 4.679 4.774 0.004 12 0 "[ . 1 . 2]" 1
1213 1 60 GLY HA3 1 73 VAL MG1 . . 4.840 4.721 4.616 4.824 . 0 0 "[ . 1 . 2]" 1
1214 1 60 GLY HA3 1 73 VAL MG2 . . 4.510 4.441 4.407 4.472 . 0 0 "[ . 1 . 2]" 1
1215 1 60 GLY HA3 1 74 THR H . . 4.390 4.296 4.244 4.325 . 0 0 "[ . 1 . 2]" 1
1216 1 60 GLY HA3 1 75 GLU H . . 4.740 4.729 4.674 4.751 0.011 16 0 "[ . 1 . 2]" 1
1217 1 60 GLY HA3 1 75 GLU HA . . 3.360 2.459 2.399 2.504 . 0 0 "[ . 1 . 2]" 1
1218 1 60 GLY HA3 1 75 GLU QG . . 4.450 3.764 3.632 3.825 . 0 0 "[ . 1 . 2]" 1
1219 1 61 GLU H 1 61 GLU HB2 . . 3.090 2.685 2.456 2.991 . 0 0 "[ . 1 . 2]" 1
1220 1 61 GLU H 1 61 GLU QB . . 2.580 2.301 2.232 2.336 . 0 0 "[ . 1 . 2]" 1
1221 1 61 GLU H 1 61 GLU HB3 . . 3.090 2.542 2.304 2.746 . 0 0 "[ . 1 . 2]" 1
1222 1 61 GLU H 1 61 GLU HG2 . . 4.630 4.522 4.375 4.632 0.002 15 0 "[ . 1 . 2]" 1
1223 1 61 GLU H 1 61 GLU QG . . 4.060 3.972 3.870 4.001 . 0 0 "[ . 1 . 2]" 1
1224 1 61 GLU H 1 61 GLU HG3 . . 4.630 4.415 4.149 4.586 . 0 0 "[ . 1 . 2]" 1
1225 1 61 GLU H 1 62 TRP H . . 4.490 4.386 4.366 4.424 . 0 0 "[ . 1 . 2]" 1
1226 1 61 GLU H 1 62 TRP HE1 . . 5.490 5.362 5.309 5.418 . 0 0 "[ . 1 . 2]" 1
1227 1 61 GLU H 1 73 VAL HA . . 4.550 4.562 4.553 4.571 0.021 16 0 "[ . 1 . 2]" 1
1228 1 61 GLU H 1 73 VAL MG1 . . 5.000 4.863 4.806 4.933 . 0 0 "[ . 1 . 2]" 1
1229 1 61 GLU H 1 73 VAL MG2 . . 4.400 4.335 4.269 4.378 . 0 0 "[ . 1 . 2]" 1
1230 1 61 GLU H 1 74 THR HB . . 3.850 2.996 2.950 3.085 . 0 0 "[ . 1 . 2]" 1
1231 1 61 GLU H 1 74 THR MG . . 4.830 4.408 4.366 4.466 . 0 0 "[ . 1 . 2]" 1
1232 1 61 GLU HA 1 62 TRP H . . 2.560 2.203 2.201 2.204 . 0 0 "[ . 1 . 2]" 1
1233 1 61 GLU HA 1 62 TRP HD1 . . 4.210 3.195 3.105 3.243 . 0 0 "[ . 1 . 2]" 1
1234 1 61 GLU HA 1 62 TRP HE1 . . 5.500 5.472 5.357 5.513 0.013 11 0 "[ . 1 . 2]" 1
1235 1 61 GLU QB 1 74 THR H . . 3.730 3.166 3.093 3.314 . 0 0 "[ . 1 . 2]" 1
1236 1 61 GLU QB 1 74 THR HB . . 4.720 2.255 2.188 2.356 . 0 0 "[ . 1 . 2]" 1
1237 1 61 GLU HB2 1 62 TRP H . . 4.700 4.478 4.283 4.590 . 0 0 "[ . 1 . 2]" 1
1238 1 61 GLU HB3 1 62 TRP H . . 4.700 4.365 4.237 4.509 . 0 0 "[ . 1 . 2]" 1
1239 1 61 GLU QG 1 62 TRP H . . 3.580 3.134 2.995 3.472 . 0 0 "[ . 1 . 2]" 1
1240 1 61 GLU QG 1 74 THR H . . 5.340 4.468 3.920 4.756 . 0 0 "[ . 1 . 2]" 1
1241 1 62 TRP H 1 62 TRP HB2 . . 2.830 2.424 2.408 2.451 . 0 0 "[ . 1 . 2]" 1
1242 1 62 TRP H 1 62 TRP HB3 . . 3.730 3.616 3.606 3.631 . 0 0 "[ . 1 . 2]" 1
1243 1 62 TRP H 1 62 TRP HD1 . . 3.130 2.400 2.388 2.410 . 0 0 "[ . 1 . 2]" 1
1244 1 62 TRP H 1 62 TRP HE1 . . 5.020 5.028 5.019 5.040 0.020 10 0 "[ . 1 . 2]" 1
1245 1 62 TRP H 1 63 THR HB . . 5.340 5.059 4.979 5.143 . 0 0 "[ . 1 . 2]" 1
1246 1 62 TRP H 1 63 THR MG . . 5.370 5.225 5.098 5.329 . 0 0 "[ . 1 . 2]" 1
1247 1 62 TRP H 1 73 VAL MG2 . . 4.550 4.368 4.302 4.400 . 0 0 "[ . 1 . 2]" 1
1248 1 62 TRP H 1 74 THR H . . 5.110 4.953 4.919 5.031 . 0 0 "[ . 1 . 2]" 1
1249 1 62 TRP HA 1 62 TRP HE1 . . 5.500 5.265 5.227 5.293 . 0 0 "[ . 1 . 2]" 1
1250 1 62 TRP HA 1 62 TRP HE3 . . 4.230 4.048 3.977 4.120 . 0 0 "[ . 1 . 2]" 1
1251 1 62 TRP HA 1 63 THR H . . 2.450 2.213 2.212 2.214 . 0 0 "[ . 1 . 2]" 1
1252 1 62 TRP HA 1 72 THR H . . 4.450 4.460 4.418 4.470 0.020 13 0 "[ . 1 . 2]" 1
1253 1 62 TRP HA 1 73 VAL HA . . 3.350 2.706 2.672 2.745 . 0 0 "[ . 1 . 2]" 1
1254 1 62 TRP HA 1 74 THR H . . 4.170 3.820 3.784 3.871 . 0 0 "[ . 1 . 2]" 1
1255 1 62 TRP HB2 1 62 TRP HE1 . . 5.300 5.065 5.054 5.077 . 0 0 "[ . 1 . 2]" 1
1256 1 62 TRP HB2 1 63 THR H . . 4.490 4.332 4.321 4.339 . 0 0 "[ . 1 . 2]" 1
1257 1 62 TRP HB3 1 62 TRP HE3 . . 4.000 2.331 2.330 2.334 . 0 0 "[ . 1 . 2]" 1
1258 1 62 TRP HB3 1 63 THR H . . 3.590 3.428 3.422 3.430 . 0 0 "[ . 1 . 2]" 1
1259 1 62 TRP HE1 1 73 VAL HA . . 5.500 5.459 5.370 5.507 0.007 19 0 "[ . 1 . 2]" 1
1260 1 62 TRP HE1 1 73 VAL MG1 . . 4.680 4.678 4.629 4.687 0.007 10 0 "[ . 1 . 2]" 1
1261 1 62 TRP HE1 1 73 VAL MG2 . . 3.140 2.944 2.865 3.021 . 0 0 "[ . 1 . 2]" 1
1262 1 62 TRP HE3 1 71 PHE HB2 . . 5.500 5.522 5.510 5.539 0.039 16 0 "[ . 1 . 2]" 1
1263 1 62 TRP HE3 1 71 PHE HB3 . . 5.000 4.230 4.213 4.327 . 0 0 "[ . 1 . 2]" 1
1264 1 62 TRP HZ2 1 73 VAL MG2 . . 4.390 3.084 3.015 3.135 . 0 0 "[ . 1 . 2]" 1
1265 1 62 TRP HZ3 1 71 PHE HB3 . . 5.500 5.181 5.142 5.250 . 0 0 "[ . 1 . 2]" 1
1266 1 63 THR H 1 63 THR HB . . 3.600 3.234 3.174 3.286 . 0 0 "[ . 1 . 2]" 1
1267 1 63 THR H 1 63 THR MG . . 3.310 2.233 2.058 2.351 . 0 0 "[ . 1 . 2]" 1
1268 1 63 THR H 1 64 TYR H . . 4.340 4.325 4.314 4.345 0.005 7 0 "[ . 1 . 2]" 1
1269 1 63 THR H 1 71 PHE HA . . 4.420 4.400 4.360 4.431 0.011 9 0 "[ . 1 . 2]" 1
1270 1 63 THR H 1 72 THR H . . 3.090 2.746 2.713 2.772 . 0 0 "[ . 1 . 2]" 1
1271 1 63 THR H 1 72 THR HB . . 4.290 3.948 3.782 3.982 . 0 0 "[ . 1 . 2]" 1
1272 1 63 THR H 1 72 THR MG . . 5.220 5.116 5.008 5.142 . 0 0 "[ . 1 . 2]" 1
1273 1 63 THR H 1 73 VAL H . . 5.280 5.162 5.097 5.201 . 0 0 "[ . 1 . 2]" 1
1274 1 63 THR H 1 73 VAL HA . . 3.970 3.755 3.716 3.797 . 0 0 "[ . 1 . 2]" 1
1275 1 63 THR H 1 73 VAL MG2 . . 4.290 4.166 4.071 4.255 . 0 0 "[ . 1 . 2]" 1
1276 1 63 THR H 1 74 THR H . . 5.300 4.900 4.849 4.951 . 0 0 "[ . 1 . 2]" 1
1277 1 63 THR HA 1 63 THR MG . . 3.320 3.238 3.230 3.246 . 0 0 "[ . 1 . 2]" 1
1278 1 63 THR HA 1 64 TYR H . . 3.110 2.185 2.185 2.186 . 0 0 "[ . 1 . 2]" 1
1279 1 63 THR HB 1 64 TYR H . . 4.410 4.245 4.217 4.284 . 0 0 "[ . 1 . 2]" 1
1280 1 63 THR HB 1 72 THR H . . 5.260 5.051 4.927 5.133 . 0 0 "[ . 1 . 2]" 1
1281 1 63 THR MG 1 65 ASP H . . 5.320 5.220 5.024 5.319 . 0 0 "[ . 1 . 2]" 1
1282 1 63 THR MG 1 72 THR H . . 4.330 2.471 2.187 2.681 . 0 0 "[ . 1 . 2]" 1
1283 1 64 TYR H 1 64 TYR HB2 . . 3.610 3.362 3.332 3.396 . 0 0 "[ . 1 . 2]" 1
1284 1 64 TYR H 1 64 TYR HB3 . . 2.990 2.358 2.317 2.398 . 0 0 "[ . 1 . 2]" 1
1285 1 64 TYR H 1 65 ASP H . . 4.460 4.385 4.337 4.420 . 0 0 "[ . 1 . 2]" 1
1286 1 64 TYR H 1 65 ASP HA . . 4.760 4.677 4.640 4.714 . 0 0 "[ . 1 . 2]" 1
1287 1 64 TYR H 1 71 PHE HA . . 4.830 4.618 4.600 4.717 . 0 0 "[ . 1 . 2]" 1
1288 1 64 TYR H 1 72 THR H . . 5.230 4.937 4.918 4.946 . 0 0 "[ . 1 . 2]" 1
1289 1 64 TYR HA 1 64 TYR QE . . 5.480 5.082 5.038 5.124 . 0 0 "[ . 1 . 2]" 1
1290 1 64 TYR HA 1 65 ASP H . . 2.630 2.239 2.221 2.253 . 0 0 "[ . 1 . 2]" 1
1291 1 64 TYR HA 1 70 THR H . . 4.440 4.255 4.190 4.336 . 0 0 "[ . 1 . 2]" 1
1292 1 64 TYR HA 1 71 PHE HA . . 3.360 2.168 2.127 2.255 . 0 0 "[ . 1 . 2]" 1
1293 1 64 TYR HA 1 72 THR H . . 3.760 3.586 3.523 3.664 . 0 0 "[ . 1 . 2]" 1
1294 1 64 TYR HB2 1 65 ASP H . . 4.090 3.990 3.945 4.041 . 0 0 "[ . 1 . 2]" 1
1295 1 64 TYR HB2 1 71 PHE HA . . 4.770 3.090 3.014 3.176 . 0 0 "[ . 1 . 2]" 1
1296 1 64 TYR HB2 1 72 THR H . . 5.120 4.546 4.495 4.587 . 0 0 "[ . 1 . 2]" 1
1297 1 64 TYR HB3 1 71 PHE HA . . 5.100 4.464 4.415 4.557 . 0 0 "[ . 1 . 2]" 1
1298 1 64 TYR HB3 1 72 THR H . . 5.500 5.539 5.520 5.558 0.058 16 0 "[ . 1 . 2]" 1
1299 1 64 TYR QE 1 65 ASP H . . 4.700 4.439 4.358 4.505 . 0 0 "[ . 1 . 2]" 1
1300 1 64 TYR QE 1 66 ASP H . . 4.060 3.297 3.103 3.580 . 0 0 "[ . 1 . 2]" 1
1301 1 64 TYR QE 1 66 ASP HA . . 3.740 2.985 2.937 3.030 . 0 0 "[ . 1 . 2]" 1
1302 1 64 TYR QE 1 66 ASP HB2 . . 4.140 2.265 2.014 2.587 . 0 0 "[ . 1 . 2]" 1
1303 1 64 TYR QE 1 66 ASP HB3 . . 4.460 3.957 3.720 4.221 . 0 0 "[ . 1 . 2]" 1
1304 1 64 TYR QE 1 67 ALA H . . 5.500 5.320 5.186 5.476 . 0 0 "[ . 1 . 2]" 1
1305 1 64 TYR QE 1 69 LYS H . . 4.130 4.085 4.052 4.121 . 0 0 "[ . 1 . 2]" 1
1306 1 64 TYR QE 1 69 LYS HA . . 3.960 2.022 1.997 2.114 . 0 0 "[ . 1 . 2]" 1
1307 1 64 TYR QE 1 70 THR H . . 4.240 3.723 3.523 3.932 . 0 0 "[ . 1 . 2]" 1
1308 1 65 ASP H 1 65 ASP HB2 . . 3.020 2.335 2.332 2.337 . 0 0 "[ . 1 . 2]" 1
1309 1 65 ASP H 1 65 ASP HB3 . . 3.570 3.463 3.451 3.489 . 0 0 "[ . 1 . 2]" 1
1310 1 65 ASP H 1 66 ASP H . . 4.310 4.169 4.164 4.175 . 0 0 "[ . 1 . 2]" 1
1311 1 65 ASP H 1 68 THR H . . 4.850 4.589 4.519 4.694 . 0 0 "[ . 1 . 2]" 1
1312 1 65 ASP H 1 69 LYS HA . . 4.430 4.307 4.225 4.379 . 0 0 "[ . 1 . 2]" 1
1313 1 65 ASP H 1 70 THR H . . 3.440 2.580 2.506 2.667 . 0 0 "[ . 1 . 2]" 1
1314 1 65 ASP H 1 70 THR HB . . 3.900 3.826 3.735 3.874 . 0 0 "[ . 1 . 2]" 1
1315 1 65 ASP H 1 70 THR MG . . 4.630 4.381 4.264 4.507 . 0 0 "[ . 1 . 2]" 1
1316 1 65 ASP H 1 71 PHE HA . . 3.730 3.721 3.646 3.762 0.032 9 0 "[ . 1 . 2]" 1
1317 1 65 ASP H 1 72 THR H . . 5.500 5.400 5.338 5.449 . 0 0 "[ . 1 . 2]" 1
1318 1 65 ASP HA 1 66 ASP H . . 2.430 2.262 2.261 2.263 . 0 0 "[ . 1 . 2]" 1
1319 1 65 ASP HA 1 66 ASP HB2 . . 4.710 4.487 4.414 4.528 . 0 0 "[ . 1 . 2]" 1
1320 1 65 ASP HA 1 67 ALA H . . 3.550 3.399 3.390 3.404 . 0 0 "[ . 1 . 2]" 1
1321 1 65 ASP HB2 1 67 ALA MB . . 5.500 4.278 4.110 4.370 . 0 0 "[ . 1 . 2]" 1
1322 1 65 ASP HB2 1 68 THR H . . 4.080 3.757 3.647 3.906 . 0 0 "[ . 1 . 2]" 1
1323 1 65 ASP HB2 1 69 LYS H . . 5.030 4.851 4.788 4.996 . 0 0 "[ . 1 . 2]" 1
1324 1 65 ASP HB2 1 70 THR H . . 3.380 3.381 3.236 3.392 0.012 10 0 "[ . 1 . 2]" 1
1325 1 65 ASP HB2 1 70 THR HB . . 4.330 3.423 3.172 3.500 . 0 0 "[ . 1 . 2]" 1
1326 1 65 ASP HB3 1 66 ASP H . . 3.890 3.821 3.808 3.828 . 0 0 "[ . 1 . 2]" 1
1327 1 65 ASP HB3 1 67 ALA H . . 4.620 2.789 2.749 2.832 . 0 0 "[ . 1 . 2]" 1
1328 1 65 ASP HB3 1 68 THR H . . 4.290 2.709 2.532 2.873 . 0 0 "[ . 1 . 2]" 1
1329 1 65 ASP HB3 1 70 THR H . . 4.020 4.023 3.978 4.030 0.010 4 0 "[ . 1 . 2]" 1
1330 1 65 ASP HB3 1 70 THR HB . . 4.790 4.472 4.286 4.554 . 0 0 "[ . 1 . 2]" 1
1331 1 66 ASP H 1 66 ASP HB2 . . 2.790 2.284 2.206 2.330 . 0 0 "[ . 1 . 2]" 1
1332 1 66 ASP H 1 66 ASP HB3 . . 2.780 2.641 2.588 2.737 . 0 0 "[ . 1 . 2]" 1
1333 1 66 ASP H 1 67 ALA H . . 3.090 2.596 2.570 2.618 . 0 0 "[ . 1 . 2]" 1
1334 1 66 ASP H 1 67 ALA MB . . 4.290 4.128 4.084 4.200 . 0 0 "[ . 1 . 2]" 1
1335 1 66 ASP H 1 68 THR H . . 4.570 4.269 4.225 4.358 . 0 0 "[ . 1 . 2]" 1
1336 1 66 ASP H 1 70 THR H . . 5.160 5.069 4.971 5.145 . 0 0 "[ . 1 . 2]" 1
1337 1 66 ASP HA 1 68 THR H . . 3.900 3.670 3.516 3.899 . 0 0 "[ . 1 . 2]" 1
1338 1 66 ASP HA 1 69 LYS H . . 3.930 2.575 2.511 2.676 . 0 0 "[ . 1 . 2]" 1
1339 1 66 ASP HB2 1 67 ALA H . . 4.040 3.997 3.920 4.037 . 0 0 "[ . 1 . 2]" 1
1340 1 66 ASP HB2 1 69 LYS H . . 5.310 4.991 4.950 5.073 . 0 0 "[ . 1 . 2]" 1
1341 1 66 ASP HB3 1 67 ALA H . . 3.170 3.082 3.070 3.103 . 0 0 "[ . 1 . 2]" 1
1342 1 66 ASP HB3 1 67 ALA MB . . 5.500 4.242 4.202 4.293 . 0 0 "[ . 1 . 2]" 1
1343 1 67 ALA H 1 67 ALA HA . . 2.850 2.784 2.777 2.796 . 0 0 "[ . 1 . 2]" 1
1344 1 67 ALA H 1 67 ALA MB . . 2.510 2.027 1.937 2.139 . 0 0 "[ . 1 . 2]" 1
1345 1 67 ALA H 1 68 THR H . . 2.790 2.642 2.608 2.661 . 0 0 "[ . 1 . 2]" 1
1346 1 67 ALA H 1 68 THR MG . . 4.350 4.083 3.851 4.332 . 0 0 "[ . 1 . 2]" 1
1347 1 67 ALA H 1 69 LYS H . . 3.880 3.641 3.590 3.726 . 0 0 "[ . 1 . 2]" 1
1348 1 67 ALA H 1 70 THR H . . 5.500 5.201 5.162 5.236 . 0 0 "[ . 1 . 2]" 1
1349 1 67 ALA MB 1 68 THR H . . 3.130 2.917 2.779 2.999 . 0 0 "[ . 1 . 2]" 1
1350 1 67 ALA MB 1 68 THR HA . . 4.720 4.241 4.134 4.318 . 0 0 "[ . 1 . 2]" 1
1351 1 67 ALA MB 1 68 THR MG . . 3.880 2.758 2.104 3.307 . 0 0 "[ . 1 . 2]" 1
1352 1 68 THR H 1 68 THR MG . . 3.060 2.501 2.164 3.009 . 0 0 "[ . 1 . 2]" 1
1353 1 68 THR H 1 69 LYS H . . 2.620 1.925 1.893 2.049 . 0 0 "[ . 1 . 2]" 1
1354 1 68 THR H 1 69 LYS HA . . 4.350 3.876 3.813 3.991 . 0 0 "[ . 1 . 2]" 1
1355 1 68 THR H 1 69 LYS QB . . 5.150 4.682 4.485 4.846 . 0 0 "[ . 1 . 2]" 1
1356 1 68 THR H 1 70 THR H . . 3.790 3.521 3.400 3.661 . 0 0 "[ . 1 . 2]" 1
1357 1 68 THR H 1 70 THR HB . . 4.530 4.496 4.426 4.560 0.030 16 0 "[ . 1 . 2]" 1
1358 1 68 THR HA 1 68 THR MG . . 3.390 2.890 2.410 3.239 . 0 0 "[ . 1 . 2]" 1
1359 1 68 THR HA 1 69 LYS H . . 3.370 3.163 3.115 3.180 . 0 0 "[ . 1 . 2]" 1
1360 1 68 THR HB 1 69 LYS H . . 5.160 4.575 4.516 4.626 . 0 0 "[ . 1 . 2]" 1
1361 1 68 THR MG 1 69 LYS H . . 5.180 3.667 3.163 4.294 . 0 0 "[ . 1 . 2]" 1
1362 1 69 LYS H 1 69 LYS HA . . 2.540 2.239 2.238 2.242 . 0 0 "[ . 1 . 2]" 1
1363 1 69 LYS H 1 69 LYS QB . . 3.390 3.123 2.930 3.292 . 0 0 "[ . 1 . 2]" 1
1364 1 69 LYS H 1 69 LYS HD2 . . 3.650 3.245 2.492 3.635 . 0 0 "[ . 1 . 2]" 1
1365 1 69 LYS H 1 69 LYS QD . . 2.940 2.546 2.246 2.946 0.006 11 0 "[ . 1 . 2]" 1
1366 1 69 LYS H 1 69 LYS HD3 . . 3.650 2.810 2.278 3.660 0.010 14 0 "[ . 1 . 2]" 1
1367 1 69 LYS H 1 69 LYS HE2 . . 5.500 5.022 4.647 5.473 . 0 0 "[ . 1 . 2]" 1
1368 1 69 LYS H 1 69 LYS HE3 . . 5.500 5.142 4.655 5.440 . 0 0 "[ . 1 . 2]" 1
1369 1 69 LYS H 1 69 LYS QG . . 3.580 2.818 2.205 3.523 . 0 0 "[ . 1 . 2]" 1
1370 1 69 LYS H 1 70 THR H . . 3.220 3.114 3.038 3.177 . 0 0 "[ . 1 . 2]" 1
1371 1 69 LYS H 1 70 THR HA . . 5.500 5.480 5.448 5.506 0.006 1 0 "[ . 1 . 2]" 1
1372 1 69 LYS H 1 70 THR HB . . 5.120 4.870 4.801 4.939 . 0 0 "[ . 1 . 2]" 1
1373 1 69 LYS HA 1 69 LYS HD2 . . 4.170 2.931 2.113 3.751 . 0 0 "[ . 1 . 2]" 1
1374 1 69 LYS HA 1 69 LYS QD . . 3.650 2.665 2.095 3.452 . 0 0 "[ . 1 . 2]" 1
1375 1 69 LYS HA 1 69 LYS HD3 . . 4.170 3.259 2.859 4.148 . 0 0 "[ . 1 . 2]" 1
1376 1 69 LYS HA 1 69 LYS HG2 . . 3.920 3.260 3.001 3.482 . 0 0 "[ . 1 . 2]" 1
1377 1 69 LYS HA 1 69 LYS QG . . 3.390 2.481 2.048 3.012 . 0 0 "[ . 1 . 2]" 1
1378 1 69 LYS HA 1 69 LYS HG3 . . 3.920 2.889 2.065 3.867 . 0 0 "[ . 1 . 2]" 1
1379 1 69 LYS HA 1 70 THR H . . 2.820 2.605 2.547 2.692 . 0 0 "[ . 1 . 2]" 1
1380 1 69 LYS QB 1 69 LYS HD2 . . 3.880 2.806 2.202 3.428 . 0 0 "[ . 1 . 2]" 1
1381 1 69 LYS QB 1 69 LYS HD3 . . 3.880 2.726 2.030 3.477 . 0 0 "[ . 1 . 2]" 1
1382 1 69 LYS QB 1 69 LYS QE . . 4.470 3.095 2.359 3.720 . 0 0 "[ . 1 . 2]" 1
1383 1 69 LYS QB 1 70 THR H . . 4.040 4.014 4.000 4.026 . 0 0 "[ . 1 . 2]" 1
1384 1 69 LYS QB 1 70 THR HB . . 5.500 5.467 5.386 5.518 0.018 15 0 "[ . 1 . 2]" 1
1385 1 69 LYS QD 1 69 LYS QG . . 2.380 2.082 2.060 2.124 . 0 0 "[ . 1 . 2]" 1
1386 1 69 LYS QE 1 69 LYS QG . . 3.200 2.186 2.024 2.469 . 0 0 "[ . 1 . 2]" 1
1387 1 70 THR H 1 70 THR HB . . 2.750 2.564 2.486 2.652 . 0 0 "[ . 1 . 2]" 1
1388 1 70 THR H 1 70 THR MG . . 3.940 3.795 3.753 3.853 . 0 0 "[ . 1 . 2]" 1
1389 1 70 THR H 1 71 PHE H . . 4.490 4.388 4.356 4.430 . 0 0 "[ . 1 . 2]" 1
1390 1 70 THR HA 1 70 THR MG . . 3.380 2.470 2.421 2.554 . 0 0 "[ . 1 . 2]" 1
1391 1 70 THR HA 1 71 PHE H . . 2.590 2.206 2.194 2.209 . 0 0 "[ . 1 . 2]" 1
1392 1 70 THR HA 1 71 PHE HB2 . . 4.780 4.549 4.524 4.817 0.037 9 0 "[ . 1 . 2]" 1
1393 1 70 THR HA 1 71 PHE QD . . 4.530 2.611 2.528 3.747 . 0 0 "[ . 1 . 2]" 1
1394 1 70 THR HB 1 71 PHE H . . 4.390 4.301 4.254 4.341 . 0 0 "[ . 1 . 2]" 1
1395 1 70 THR MG 1 71 PHE H . . 3.140 2.458 2.280 2.651 . 0 0 "[ . 1 . 2]" 1
1396 1 70 THR MG 1 71 PHE HA . . 4.750 3.766 3.654 3.845 . 0 0 "[ . 1 . 2]" 1
1397 1 71 PHE H 1 71 PHE HB2 . . 3.010 2.535 2.501 2.719 . 0 0 "[ . 1 . 2]" 1
1398 1 71 PHE H 1 71 PHE QD . . 3.260 1.988 1.942 2.506 . 0 0 "[ . 1 . 2]" 1
1399 1 71 PHE H 1 71 PHE QE . . 4.430 4.270 4.132 4.311 . 0 0 "[ . 1 . 2]" 1
1400 1 71 PHE H 1 72 THR H . . 4.630 4.488 4.472 4.517 . 0 0 "[ . 1 . 2]" 1
1401 1 71 PHE H 1 72 THR HA . . 5.500 4.960 4.934 5.025 . 0 0 "[ . 1 . 2]" 1
1402 1 71 PHE HA 1 71 PHE QD . . 4.260 3.261 2.981 3.281 . 0 0 "[ . 1 . 2]" 1
1403 1 71 PHE HA 1 72 THR H . . 2.640 2.268 2.266 2.270 . 0 0 "[ . 1 . 2]" 1
1404 1 71 PHE HB2 1 72 THR H . . 5.430 3.998 3.796 4.018 . 0 0 "[ . 1 . 2]" 1
1405 1 71 PHE HB3 1 72 THR H . . 3.220 3.128 3.116 3.202 . 0 0 "[ . 1 . 2]" 1
1406 1 71 PHE QD 1 72 THR H . . 4.590 4.535 4.504 4.591 0.001 9 0 "[ . 1 . 2]" 1
1407 1 72 THR H 1 72 THR HB . . 3.000 2.899 2.886 2.916 . 0 0 "[ . 1 . 2]" 1
1408 1 72 THR H 1 72 THR MG . . 3.980 3.923 3.917 3.930 . 0 0 "[ . 1 . 2]" 1
1409 1 72 THR H 1 73 VAL H . . 4.590 4.336 4.242 4.367 . 0 0 "[ . 1 . 2]" 1
1410 1 72 THR H 1 73 VAL HA . . 5.000 4.689 4.651 4.707 . 0 0 "[ . 1 . 2]" 1
1411 1 72 THR H 1 73 VAL MG2 . . 5.300 5.052 4.895 5.135 . 0 0 "[ . 1 . 2]" 1
1412 1 72 THR HA 1 72 THR MG . . 3.300 2.190 2.120 2.291 . 0 0 "[ . 1 . 2]" 1
1413 1 72 THR HA 1 73 VAL H . . 2.460 2.181 2.155 2.199 . 0 0 "[ . 1 . 2]" 1
1414 1 72 THR HA 1 73 VAL MG1 . . 5.030 4.704 4.659 4.739 . 0 0 "[ . 1 . 2]" 1
1415 1 72 THR HB 1 73 VAL H . . 4.170 4.048 3.990 4.176 0.006 9 0 "[ . 1 . 2]" 1
1416 1 72 THR MG 1 73 VAL H . . 2.940 2.622 2.513 2.923 . 0 0 "[ . 1 . 2]" 1
1417 1 72 THR MG 1 73 VAL HA . . 4.820 4.444 4.389 4.490 . 0 0 "[ . 1 . 2]" 1
1418 1 72 THR MG 1 74 THR H . . 4.960 4.883 4.800 4.918 . 0 0 "[ . 1 . 2]" 1
1419 1 73 VAL H 1 73 VAL HB . . 3.310 2.382 2.353 2.426 . 0 0 "[ . 1 . 2]" 1
1420 1 73 VAL H 1 73 VAL MG1 . . 3.040 2.863 2.811 2.900 . 0 0 "[ . 1 . 2]" 1
1421 1 73 VAL H 1 73 VAL MG2 . . 3.850 3.688 3.661 3.706 . 0 0 "[ . 1 . 2]" 1
1422 1 73 VAL HA 1 73 VAL MG2 . . 3.220 2.058 1.988 2.148 . 0 0 "[ . 1 . 2]" 1
1423 1 73 VAL HA 1 74 THR H . . 2.450 2.182 2.182 2.183 . 0 0 "[ . 1 . 2]" 1
1424 1 73 VAL HA 1 74 THR HB . . 4.960 4.843 4.835 4.851 . 0 0 "[ . 1 . 2]" 1
1425 1 73 VAL HB 1 74 THR H . . 4.710 4.611 4.608 4.615 . 0 0 "[ . 1 . 2]" 1
1426 1 73 VAL MG1 1 74 THR H . . 3.690 3.431 3.407 3.471 . 0 0 "[ . 1 . 2]" 1
1427 1 73 VAL MG1 1 75 GLU H . . 4.540 3.806 3.781 3.879 . 0 0 "[ . 1 . 2]" 1
1428 1 73 VAL MG2 1 74 THR H . . 3.470 3.312 3.253 3.345 . 0 0 "[ . 1 . 2]" 1
1429 1 73 VAL MG2 1 75 GLU H . . 5.500 5.467 5.432 5.496 . 0 0 "[ . 1 . 2]" 1
1430 1 73 VAL MG2 1 75 GLU HA . . 5.500 5.161 5.062 5.237 . 0 0 "[ . 1 . 2]" 1
1431 1 73 VAL MG2 1 75 GLU QG . . 5.500 5.361 5.238 5.504 0.004 12 0 "[ . 1 . 2]" 1
1432 1 74 THR H 1 74 THR HB . . 2.900 2.729 2.715 2.739 . 0 0 "[ . 1 . 2]" 1
1433 1 74 THR H 1 74 THR MG . . 3.820 3.806 3.794 3.818 . 0 0 "[ . 1 . 2]" 1
1434 1 74 THR H 1 75 GLU H . . 4.500 4.371 4.352 4.386 . 0 0 "[ . 1 . 2]" 1
1435 1 74 THR HA 1 74 THR MG . . 3.360 2.269 2.160 2.297 . 0 0 "[ . 1 . 2]" 1
1436 1 74 THR HA 1 75 GLU H . . 2.600 2.150 2.149 2.153 . 0 0 "[ . 1 . 2]" 1
1437 1 74 THR HB 1 75 GLU H . . 4.340 4.237 4.214 4.246 . 0 0 "[ . 1 . 2]" 1
1438 1 74 THR MG 1 75 GLU H . . 3.300 3.043 2.906 3.139 . 0 0 "[ . 1 . 2]" 1
1439 1 74 THR MG 1 75 GLU HA . . 4.660 4.577 4.515 4.662 0.002 15 0 "[ . 1 . 2]" 1
1440 1 75 GLU H 1 75 GLU HB2 . . 3.150 2.408 2.281 2.530 . 0 0 "[ . 1 . 2]" 1
1441 1 75 GLU H 1 75 GLU QB . . 2.720 2.263 2.193 2.323 . 0 0 "[ . 1 . 2]" 1
1442 1 75 GLU H 1 75 GLU HB3 . . 3.150 2.761 2.699 2.840 . 0 0 "[ . 1 . 2]" 1
1443 1 75 GLU H 1 75 GLU QG . . 4.110 3.963 3.868 4.046 . 0 0 "[ . 1 . 2]" 1
1444 1 75 GLU HA 1 75 GLU QG . . 3.280 2.247 2.125 2.440 . 0 0 "[ . 1 . 2]" 1
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