NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
629715 |
6fdp   |
34223 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6fdp
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 2858
_Distance_constraint_stats_list.Viol_count 7113
_Distance_constraint_stats_list.Viol_total 5498.616
_Distance_constraint_stats_list.Viol_max 1.882
_Distance_constraint_stats_list.Viol_rms 0.0416
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0048
_Distance_constraint_stats_list.Viol_average_violations_only 0.0387
_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 PRO 0.101 0.034 18 0 "[ . 1 . 2]"
1 3 HIS 0.170 0.032 10 0 "[ . 1 . 2]"
1 4 MET 0.499 0.047 15 0 "[ . 1 . 2]"
1 5 GLN 0.926 0.061 14 0 "[ . 1 . 2]"
1 6 ALA 1.662 0.050 16 0 "[ . 1 . 2]"
1 7 ILE 3.127 0.077 7 0 "[ . 1 . 2]"
1 8 SER 0.909 0.048 18 0 "[ . 1 . 2]"
1 9 GLU 0.055 0.026 11 0 "[ . 1 . 2]"
1 10 LYS 2.961 0.074 15 0 "[ . 1 . 2]"
1 11 ASP 12.248 0.896 18 10 "[*-**. * ** * * + 2]"
1 12 ARG 3.396 0.077 7 0 "[ . 1 . 2]"
1 13 GLY 1.479 0.090 19 0 "[ . 1 . 2]"
1 14 ASN 10.144 0.544 18 1 "[ . 1 . + 2]"
1 15 GLY 8.365 0.794 18 6 "[* . * * * - + 2]"
1 16 PHE 14.982 0.950 18 8 "[- .*** * * * + 2]"
1 17 PHE 5.935 0.423 18 0 "[ . 1 . 2]"
1 18 LYS 22.654 0.955 10 7 "[- . * + * * * *]"
1 19 GLU 5.077 0.697 6 1 "[ .+ 1 . 2]"
1 20 GLY 0.851 0.044 5 0 "[ . 1 . 2]"
1 21 LYS 1.301 0.697 6 1 "[ .+ 1 . 2]"
1 22 TYR 1.507 0.157 8 0 "[ . 1 . 2]"
1 23 GLU 2.142 0.070 8 0 "[ . 1 . 2]"
1 24 ARG 1.995 0.070 12 0 "[ . 1 . 2]"
1 25 ALA 2.277 0.090 19 0 "[ . 1 . 2]"
1 26 ILE 4.038 0.113 15 0 "[ . 1 . 2]"
1 27 GLU 2.238 0.054 17 0 "[ . 1 . 2]"
1 28 CYS 1.299 0.046 5 0 "[ . 1 . 2]"
1 29 TYR 2.074 0.046 5 0 "[ . 1 . 2]"
1 30 THR 0.355 0.022 3 0 "[ . 1 . 2]"
1 31 ARG 1.553 0.064 18 0 "[ . 1 . 2]"
1 32 GLY 2.156 0.065 19 0 "[ . 1 . 2]"
1 33 ILE 7.254 0.276 5 0 "[ . 1 . 2]"
1 34 ALA 3.098 0.071 12 0 "[ . 1 . 2]"
1 35 ALA 1.093 0.043 18 0 "[ . 1 . 2]"
1 36 ASP 1.025 0.062 3 0 "[ . 1 . 2]"
1 37 GLY 1.327 0.054 12 0 "[ . 1 . 2]"
1 38 ALA 1.490 0.054 12 0 "[ . 1 . 2]"
1 39 ASN 1.907 0.057 8 0 "[ . 1 . 2]"
1 40 ALA 3.673 0.086 15 0 "[ . 1 . 2]"
1 41 LEU 16.517 0.672 14 1 "[ . 1 +. 2]"
1 42 LEU 5.409 0.081 6 0 "[ . 1 . 2]"
1 43 PRO 19.000 0.560 1 7 "[+ -* 1 * *.* *2]"
1 44 ALA 3.071 0.092 1 0 "[ . 1 . 2]"
1 45 ASN 1.001 0.053 18 0 "[ . 1 . 2]"
1 46 ARG 1.207 0.054 19 0 "[ . 1 . 2]"
1 47 ALA 0.081 0.015 8 0 "[ . 1 . 2]"
1 48 MET 1.513 0.157 8 0 "[ . 1 . 2]"
1 49 ALA 2.187 0.070 8 0 "[ . 1 . 2]"
1 50 TYR 3.067 0.070 13 0 "[ . 1 . 2]"
1 51 LEU 3.359 0.071 17 0 "[ . 1 . 2]"
1 52 LYS 3.829 0.065 16 0 "[ . 1 . 2]"
1 53 ILE 5.726 0.089 13 0 "[ . 1 . 2]"
1 54 GLN 4.038 0.089 13 0 "[ . 1 . 2]"
1 55 LYS 2.424 0.078 14 0 "[ . 1 . 2]"
1 56 TYR 2.840 0.070 4 0 "[ . 1 . 2]"
1 57 GLU 1.959 0.046 2 0 "[ . 1 . 2]"
1 58 GLU 2.016 0.064 16 0 "[ . 1 . 2]"
1 59 ALA 1.128 0.051 18 0 "[ . 1 . 2]"
1 60 GLU 1.887 0.070 4 0 "[ . 1 . 2]"
1 61 LYS 1.302 0.075 10 0 "[ . 1 . 2]"
1 62 ASP 0.309 0.064 16 0 "[ . 1 . 2]"
1 63 CYS 2.090 0.075 10 0 "[ . 1 . 2]"
1 64 THR 0.356 0.040 9 0 "[ . 1 . 2]"
1 65 GLN 2.345 0.048 5 0 "[ . 1 . 2]"
1 66 ALA 1.741 0.048 5 0 "[ . 1 . 2]"
1 67 ILE 2.659 0.046 6 0 "[ . 1 . 2]"
1 68 LEU 3.957 0.083 15 0 "[ . 1 . 2]"
1 69 LEU 6.192 0.094 16 0 "[ . 1 . 2]"
1 70 ASP 3.532 0.094 16 0 "[ . 1 . 2]"
1 71 GLY 2.411 0.089 16 0 "[ . 1 . 2]"
1 72 SER 3.353 0.089 16 0 "[ . 1 . 2]"
1 73 TYR 14.564 0.672 14 1 "[ . 1 +. 2]"
1 74 SER 1.090 0.037 6 0 "[ . 1 . 2]"
1 75 LYS 0.031 0.014 8 0 "[ . 1 . 2]"
1 76 ALA 10.649 0.560 1 7 "[+ -* 1 * *.* *2]"
1 77 PHE 1.044 0.045 2 0 "[ . 1 . 2]"
1 78 ALA 1.208 0.041 19 0 "[ . 1 . 2]"
1 79 ARG 3.018 0.071 18 0 "[ . 1 . 2]"
1 80 ARG 1.863 0.059 1 0 "[ . 1 . 2]"
1 81 GLY 0.740 0.035 5 0 "[ . 1 . 2]"
1 82 THR 0.170 0.021 16 0 "[ . 1 . 2]"
1 83 ALA 2.070 0.049 18 0 "[ . 1 . 2]"
1 84 ARG 5.662 0.147 17 0 "[ . 1 . 2]"
1 85 THR 2.384 0.052 4 0 "[ . 1 . 2]"
1 86 PHE 2.497 0.077 9 0 "[ . 1 . 2]"
1 87 LEU 3.229 0.055 15 0 "[ . 1 . 2]"
1 88 GLY 1.778 0.052 4 0 "[ . 1 . 2]"
1 89 LYS 1.410 0.050 7 0 "[ . 1 . 2]"
1 90 LEU 3.087 0.077 9 0 "[ . 1 . 2]"
1 91 ASN 1.693 0.070 7 0 "[ . 1 . 2]"
1 92 GLU 3.326 0.070 7 0 "[ . 1 . 2]"
1 93 ALA 4.840 0.147 17 0 "[ . 1 . 2]"
1 94 LYS 1.085 0.033 19 0 "[ . 1 . 2]"
1 95 GLN 1.919 0.070 15 0 "[ . 1 . 2]"
1 96 ASP 1.240 0.048 9 0 "[ . 1 . 2]"
1 97 PHE 2.525 0.048 9 0 "[ . 1 . 2]"
1 98 GLU 0.640 0.028 7 0 "[ . 1 . 2]"
1 99 THR 2.418 0.054 19 0 "[ . 1 . 2]"
1 100 VAL 1.134 0.032 6 0 "[ . 1 . 2]"
1 101 LEU 0.723 0.031 8 0 "[ . 1 . 2]"
1 102 LEU 1.956 0.034 1 0 "[ . 1 . 2]"
1 103 LEU 1.147 0.043 8 0 "[ . 1 . 2]"
1 104 GLU 2.563 0.089 20 0 "[ . 1 . 2]"
1 105 PRO 0.191 0.021 7 0 "[ . 1 . 2]"
1 106 GLY 0.330 0.028 1 0 "[ . 1 . 2]"
1 107 ASN 2.822 0.076 13 0 "[ . 1 . 2]"
1 108 LYS 1.960 0.041 19 0 "[ . 1 . 2]"
1 109 GLN 13.411 0.918 20 10 "[* -** * *1 * * * +]"
1 110 ALA 1.813 0.112 8 0 "[ . 1 . 2]"
1 111 VAL 1.743 0.050 16 0 "[ . 1 . 2]"
1 112 THR 1.526 0.040 13 0 "[ . 1 . 2]"
1 113 GLU 2.491 0.112 8 0 "[ . 1 . 2]"
1 114 LEU 2.529 0.077 2 0 "[ . 1 . 2]"
1 115 SER 3.231 0.079 12 0 "[ . 1 . 2]"
1 116 LYS 0.526 0.040 13 0 "[ . 1 . 2]"
1 117 ILE 2.760 0.079 12 0 "[ . 1 . 2]"
1 118 LYS 0.593 0.044 8 0 "[ . 1 . 2]"
1 119 LYS 0.321 0.075 18 0 "[ . 1 . 2]"
1 120 LYS 0.353 0.075 18 0 "[ . 1 . 2]"
2 1 ASP 0.401 0.054 16 0 "[ . 1 . 2]"
2 2 THR 4.572 0.089 20 0 "[ . 1 . 2]"
2 3 SER 0.742 0.067 18 0 "[ . 1 . 2]"
2 4 ARG 47.967 1.882 20 18 "[*******-*1******** +]"
2 5 MET 5.609 0.071 18 0 "[ . 1 . 2]"
2 6 GLU 35.810 1.882 20 17 "[*******-*1******* +]"
2 7 GLU 0.160 0.052 7 0 "[ . 1 . 2]"
2 8 VAL 58.343 0.955 10 13 "[-***.****+ * * * *]"
2 9 ASP 2.071 0.091 18 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 PRO HA 1 5 GLN H . . 3.910 3.493 2.922 3.914 0.004 19 0 "[ . 1 . 2]" 1
2 1 2 PRO HA 1 5 GLN QB . . 2.910 2.630 2.123 2.944 0.034 18 0 "[ . 1 . 2]" 1
3 1 2 PRO HA 1 5 GLN QG . . 4.650 4.242 3.492 4.675 0.025 20 0 "[ . 1 . 2]" 1
4 1 3 HIS H 1 3 HIS QB . . 3.850 2.291 2.155 2.592 . 0 0 "[ . 1 . 2]" 1
5 1 3 HIS H 1 3 HIS HD2 . . 6.000 5.033 4.317 5.368 . 0 0 "[ . 1 . 2]" 1
6 1 3 HIS HA 1 3 HIS HD2 . . 4.720 3.788 2.290 4.743 0.023 1 0 "[ . 1 . 2]" 1
7 1 3 HIS HA 1 6 ALA H . . 4.820 3.363 2.956 3.747 . 0 0 "[ . 1 . 2]" 1
8 1 3 HIS HA 1 6 ALA MB . . 3.630 2.651 2.156 3.069 . 0 0 "[ . 1 . 2]" 1
9 1 3 HIS QB 1 4 MET H . . 3.680 2.744 2.301 3.507 . 0 0 "[ . 1 . 2]" 1
10 1 3 HIS QB 1 4 MET HA . . 4.390 4.286 3.962 4.422 0.032 10 0 "[ . 1 . 2]" 1
11 1 3 HIS QB 1 5 GLN H . . 5.050 4.834 4.652 5.077 0.027 20 0 "[ . 1 . 2]" 1
12 1 3 HIS QB 1 6 ALA H . . 5.100 4.887 4.658 5.067 . 0 0 "[ . 1 . 2]" 1
13 1 3 HIS QB 1 6 ALA MB . . 4.790 4.337 3.758 4.794 0.004 4 0 "[ . 1 . 2]" 1
14 1 3 HIS QB 1 7 ILE MD . . 4.340 4.001 3.463 4.360 0.020 7 0 "[ . 1 . 2]" 1
15 1 3 HIS HD2 1 7 ILE MD . . 5.200 3.199 2.311 5.134 . 0 0 "[ . 1 . 2]" 1
16 1 4 MET H 1 4 MET HG2 . . 4.070 3.174 2.354 3.938 . 0 0 "[ . 1 . 2]" 1
17 1 4 MET H 1 4 MET QG . . 3.320 2.565 2.200 3.258 . 0 0 "[ . 1 . 2]" 1
18 1 4 MET H 1 4 MET HG3 . . 4.070 3.170 2.220 3.885 . 0 0 "[ . 1 . 2]" 1
19 1 4 MET H 1 5 GLN H . . 3.550 2.728 2.573 2.853 . 0 0 "[ . 1 . 2]" 1
20 1 4 MET HA 1 4 MET QG . . 2.770 2.528 2.196 2.799 0.029 19 0 "[ . 1 . 2]" 1
21 1 4 MET HA 1 6 ALA H . . 4.030 4.016 3.815 4.070 0.040 20 0 "[ . 1 . 2]" 1
22 1 4 MET HA 1 7 ILE H . . 4.000 3.171 2.925 3.342 . 0 0 "[ . 1 . 2]" 1
23 1 4 MET HA 1 7 ILE HB . . 3.870 2.472 2.189 2.724 . 0 0 "[ . 1 . 2]" 1
24 1 4 MET HA 1 7 ILE MD . . 3.670 2.453 2.305 2.601 . 0 0 "[ . 1 . 2]" 1
25 1 4 MET HA 1 7 ILE QG . . 3.780 3.343 3.135 3.596 . 0 0 "[ . 1 . 2]" 1
26 1 4 MET HA 1 7 ILE MG . . 4.110 3.954 3.698 4.157 0.047 15 0 "[ . 1 . 2]" 1
27 1 4 MET QB 1 7 ILE HB . . 4.820 4.136 3.910 4.335 . 0 0 "[ . 1 . 2]" 1
28 1 4 MET QB 1 7 ILE MD . . 4.160 4.089 3.917 4.174 0.014 12 0 "[ . 1 . 2]" 1
29 1 4 MET QB 1 8 SER H . . 5.420 4.550 4.350 4.932 . 0 0 "[ . 1 . 2]" 1
30 1 4 MET QG 1 7 ILE MD . . 4.010 3.190 2.575 3.717 . 0 0 "[ . 1 . 2]" 1
31 1 5 GLN H 1 5 GLN QB . . 2.690 2.163 2.088 2.225 . 0 0 "[ . 1 . 2]" 1
32 1 5 GLN H 1 5 GLN HE21 . . 4.730 4.697 4.326 4.791 0.061 14 0 "[ . 1 . 2]" 1
33 1 5 GLN H 1 5 GLN HE22 . . 6.000 5.820 5.491 6.025 0.025 11 0 "[ . 1 . 2]" 1
34 1 5 GLN H 1 5 GLN QG . . 4.130 3.973 3.871 4.076 . 0 0 "[ . 1 . 2]" 1
35 1 5 GLN H 1 6 ALA H . . 3.450 2.663 2.468 2.733 . 0 0 "[ . 1 . 2]" 1
36 1 5 GLN H 1 6 ALA MB . . 4.350 4.331 4.167 4.369 0.019 12 0 "[ . 1 . 2]" 1
37 1 5 GLN H 1 7 ILE H . . 4.760 4.200 3.997 4.313 . 0 0 "[ . 1 . 2]" 1
38 1 5 GLN HA 1 5 GLN HE21 . . 5.210 3.777 2.221 5.036 . 0 0 "[ . 1 . 2]" 1
39 1 5 GLN HA 1 5 GLN HE22 . . 5.880 4.637 3.175 5.906 0.026 3 0 "[ . 1 . 2]" 1
40 1 5 GLN HA 1 5 GLN QG . . 3.310 2.761 2.350 3.179 . 0 0 "[ . 1 . 2]" 1
41 1 5 GLN QB 1 6 ALA H . . 3.040 2.825 2.701 3.045 0.005 12 0 "[ . 1 . 2]" 1
42 1 5 GLN QB 1 6 ALA MB . . 4.020 3.811 3.576 4.029 0.009 20 0 "[ . 1 . 2]" 1
43 1 5 GLN QB 1 7 ILE H . . 5.050 4.873 4.749 5.035 . 0 0 "[ . 1 . 2]" 1
44 1 5 GLN QB 1 35 ALA MB . . 5.240 3.955 3.341 4.616 . 0 0 "[ . 1 . 2]" 1
45 1 5 GLN QG 1 6 ALA H . . 4.130 3.852 3.456 4.138 0.008 16 0 "[ . 1 . 2]" 1
46 1 5 GLN QG 1 6 ALA HA . . 4.500 3.877 3.446 4.268 . 0 0 "[ . 1 . 2]" 1
47 1 5 GLN QG 1 35 ALA HA . . 5.730 5.471 4.932 5.755 0.025 13 0 "[ . 1 . 2]" 1
48 1 5 GLN QG 1 35 ALA MB . . 3.520 3.044 2.702 3.377 . 0 0 "[ . 1 . 2]" 1
49 1 6 ALA H 1 6 ALA MB . . 2.650 2.237 2.203 2.274 . 0 0 "[ . 1 . 2]" 1
50 1 6 ALA H 1 7 ILE H . . 3.310 2.455 2.360 2.551 . 0 0 "[ . 1 . 2]" 1
51 1 6 ALA H 1 7 ILE HB . . 4.680 4.518 4.475 4.575 . 0 0 "[ . 1 . 2]" 1
52 1 6 ALA H 1 7 ILE MD . . 5.120 5.083 4.847 5.140 0.020 16 0 "[ . 1 . 2]" 1
53 1 6 ALA H 1 7 ILE QG . . 5.170 4.228 4.049 4.361 . 0 0 "[ . 1 . 2]" 1
54 1 6 ALA H 1 7 ILE MG . . 5.660 5.688 5.666 5.710 0.050 16 0 "[ . 1 . 2]" 1
55 1 6 ALA H 1 8 SER H . . 4.490 3.961 3.832 4.212 . 0 0 "[ . 1 . 2]" 1
56 1 6 ALA HA 1 7 ILE H . . 3.550 3.563 3.532 3.583 0.033 9 0 "[ . 1 . 2]" 1
57 1 6 ALA HA 1 9 GLU H . . 4.430 3.671 3.467 3.845 . 0 0 "[ . 1 . 2]" 1
58 1 6 ALA HA 1 9 GLU QB . . 4.380 3.444 3.028 4.004 . 0 0 "[ . 1 . 2]" 1
59 1 6 ALA HA 1 9 GLU QG . . 3.970 3.776 3.389 3.996 0.026 11 0 "[ . 1 . 2]" 1
60 1 6 ALA HA 1 10 LYS QB . . 5.520 4.761 4.486 5.072 . 0 0 "[ . 1 . 2]" 1
61 1 6 ALA HA 1 32 GLY HA2 . . 3.860 3.160 2.737 3.708 . 0 0 "[ . 1 . 2]" 1
62 1 6 ALA HA 1 32 GLY HA3 . . 4.030 3.680 3.206 3.954 . 0 0 "[ . 1 . 2]" 1
63 1 6 ALA HA 1 42 LEU MD1 . . 4.180 3.450 3.101 3.811 . 0 0 "[ . 1 . 2]" 1
64 1 6 ALA HA 1 42 LEU MD2 . . 4.190 3.867 3.585 4.160 . 0 0 "[ . 1 . 2]" 1
65 1 6 ALA MB 1 7 ILE H . . 3.220 2.767 2.604 3.018 . 0 0 "[ . 1 . 2]" 1
66 1 6 ALA MB 1 32 GLY HA2 . . 5.040 3.726 3.265 4.012 . 0 0 "[ . 1 . 2]" 1
67 1 6 ALA MB 1 32 GLY HA3 . . 4.190 4.070 3.623 4.207 0.017 1 0 "[ . 1 . 2]" 1
68 1 6 ALA MB 1 36 ASP HB2 . . 3.660 2.369 2.094 2.859 . 0 0 "[ . 1 . 2]" 1
69 1 6 ALA MB 1 36 ASP HB3 . . 3.660 2.906 2.542 3.571 . 0 0 "[ . 1 . 2]" 1
70 1 6 ALA MB 1 39 ASN QB . . 4.860 3.854 3.587 4.034 . 0 0 "[ . 1 . 2]" 1
71 1 6 ALA MB 1 39 ASN HD21 . . 3.960 3.873 3.410 3.996 0.036 9 0 "[ . 1 . 2]" 1
72 1 6 ALA MB 1 42 LEU MD1 . . 3.290 2.346 2.139 2.507 . 0 0 "[ . 1 . 2]" 1
73 1 7 ILE H 1 7 ILE HB . . 3.160 2.437 2.390 2.497 . 0 0 "[ . 1 . 2]" 1
74 1 7 ILE H 1 7 ILE MD . . 3.910 3.545 3.367 3.629 . 0 0 "[ . 1 . 2]" 1
75 1 7 ILE H 1 7 ILE HG12 . . 3.530 3.560 3.539 3.577 0.047 16 0 "[ . 1 . 2]" 1
76 1 7 ILE H 1 7 ILE QG . . 3.060 2.250 2.184 2.312 . 0 0 "[ . 1 . 2]" 1
77 1 7 ILE H 1 7 ILE HG13 . . 3.530 2.275 2.204 2.342 . 0 0 "[ . 1 . 2]" 1
78 1 7 ILE H 1 7 ILE MG . . 3.780 3.778 3.746 3.810 0.030 9 0 "[ . 1 . 2]" 1
79 1 7 ILE H 1 8 SER H . . 3.670 2.775 2.640 2.960 . 0 0 "[ . 1 . 2]" 1
80 1 7 ILE HA 1 7 ILE MD . . 3.920 3.859 3.813 3.895 . 0 0 "[ . 1 . 2]" 1
81 1 7 ILE HA 1 7 ILE HG12 . . 3.980 2.494 2.386 2.591 . 0 0 "[ . 1 . 2]" 1
82 1 7 ILE HA 1 7 ILE QG . . 3.460 2.356 2.260 2.421 . 0 0 "[ . 1 . 2]" 1
83 1 7 ILE HA 1 7 ILE HG13 . . 3.980 2.900 2.801 2.989 . 0 0 "[ . 1 . 2]" 1
84 1 7 ILE HA 1 7 ILE MG . . 3.070 2.432 2.366 2.521 . 0 0 "[ . 1 . 2]" 1
85 1 7 ILE HA 1 10 LYS QB . . 4.280 2.516 2.327 2.666 . 0 0 "[ . 1 . 2]" 1
86 1 7 ILE HA 1 11 ASP H . . 4.360 3.799 3.626 3.974 . 0 0 "[ . 1 . 2]" 1
87 1 7 ILE HB 1 7 ILE MD . . 3.100 2.418 2.360 2.471 . 0 0 "[ . 1 . 2]" 1
88 1 7 ILE HB 1 8 SER H . . 3.840 2.612 2.515 2.758 . 0 0 "[ . 1 . 2]" 1
89 1 7 ILE MD 1 7 ILE MG . . 2.740 2.115 2.062 2.142 . 0 0 "[ . 1 . 2]" 1
90 1 7 ILE MD 1 8 SER H . . 4.870 4.605 4.514 4.789 . 0 0 "[ . 1 . 2]" 1
91 1 7 ILE MD 1 10 LYS HE2 . . 4.980 4.685 4.233 4.947 . 0 0 "[ . 1 . 2]" 1
92 1 7 ILE QG 1 7 ILE MG . . 3.110 2.361 2.308 2.411 . 0 0 "[ . 1 . 2]" 1
93 1 7 ILE QG 1 8 SER H . . 4.340 4.169 4.068 4.278 . 0 0 "[ . 1 . 2]" 1
94 1 7 ILE HG12 1 7 ILE MG . . 3.580 2.423 2.362 2.483 . 0 0 "[ . 1 . 2]" 1
95 1 7 ILE HG12 1 8 SER H . . 5.080 5.067 4.996 5.106 0.026 13 0 "[ . 1 . 2]" 1
96 1 7 ILE HG13 1 7 ILE MG . . 3.580 3.262 3.243 3.278 . 0 0 "[ . 1 . 2]" 1
97 1 7 ILE HG13 1 8 SER H . . 5.080 4.436 4.309 4.592 . 0 0 "[ . 1 . 2]" 1
98 1 7 ILE MG 1 8 SER H . . 3.530 3.232 3.117 3.397 . 0 0 "[ . 1 . 2]" 1
99 1 7 ILE MG 1 8 SER HA . . 4.480 3.189 3.026 3.415 . 0 0 "[ . 1 . 2]" 1
100 1 7 ILE MG 1 10 LYS QB . . 4.280 3.479 3.261 3.600 . 0 0 "[ . 1 . 2]" 1
101 1 7 ILE MG 1 10 LYS HE3 . . 3.640 3.525 3.281 3.649 0.009 15 0 "[ . 1 . 2]" 1
102 1 7 ILE MG 1 11 ASP H . . 4.490 3.466 3.329 3.571 . 0 0 "[ . 1 . 2]" 1
103 1 7 ILE MG 1 11 ASP HA . . 4.760 4.704 4.515 4.789 0.029 2 0 "[ . 1 . 2]" 1
104 1 7 ILE MG 1 11 ASP HB2 . . 3.860 2.953 2.709 3.428 . 0 0 "[ . 1 . 2]" 1
105 1 7 ILE MG 1 11 ASP HB3 . . 4.190 4.062 3.894 4.244 0.054 9 0 "[ . 1 . 2]" 1
106 1 7 ILE MG 1 12 ARG H . . 5.280 5.324 5.282 5.357 0.077 7 0 "[ . 1 . 2]" 1
107 1 8 SER H 1 8 SER HB2 . . 4.150 2.528 2.414 2.638 . 0 0 "[ . 1 . 2]" 1
108 1 8 SER H 1 8 SER QB . . 3.530 2.482 2.380 2.579 . 0 0 "[ . 1 . 2]" 1
109 1 8 SER H 1 8 SER HB3 . . 4.150 3.627 3.600 3.652 . 0 0 "[ . 1 . 2]" 1
110 1 8 SER H 1 10 LYS HE2 . . 6.000 5.828 5.575 6.022 0.022 9 0 "[ . 1 . 2]" 1
111 1 8 SER H 1 11 ASP H . . 5.180 4.837 4.740 5.021 . 0 0 "[ . 1 . 2]" 1
112 1 8 SER H 1 11 ASP HB2 . . 6.000 5.052 4.687 5.493 . 0 0 "[ . 1 . 2]" 1
113 1 8 SER HA 1 11 ASP HB3 . . 4.780 3.278 2.563 4.131 . 0 0 "[ . 1 . 2]" 1
114 1 8 SER HA 1 12 ARG H . . 3.880 3.874 3.766 3.928 0.048 18 0 "[ . 1 . 2]" 1
115 1 8 SER QB 1 10 LYS H . . 4.540 4.470 4.398 4.537 . 0 0 "[ . 1 . 2]" 1
116 1 8 SER HB2 1 9 GLU H . . 3.910 2.551 2.401 2.759 . 0 0 "[ . 1 . 2]" 1
117 1 8 SER HB2 1 10 LYS H . . 5.230 4.840 4.723 4.968 . 0 0 "[ . 1 . 2]" 1
118 1 8 SER HB3 1 9 GLU H . . 3.910 3.417 3.214 3.547 . 0 0 "[ . 1 . 2]" 1
119 1 8 SER HB3 1 10 LYS H . . 5.230 5.255 5.238 5.273 0.043 9 0 "[ . 1 . 2]" 1
120 1 9 GLU H 1 9 GLU HB2 . . 3.940 2.559 2.391 2.780 . 0 0 "[ . 1 . 2]" 1
121 1 9 GLU H 1 9 GLU QB . . 3.330 2.508 2.357 2.698 . 0 0 "[ . 1 . 2]" 1
122 1 9 GLU H 1 9 GLU HB3 . . 3.940 3.616 3.564 3.677 . 0 0 "[ . 1 . 2]" 1
123 1 9 GLU H 1 9 GLU HG2 . . 3.940 2.218 2.141 2.346 . 0 0 "[ . 1 . 2]" 1
124 1 9 GLU H 1 9 GLU HG3 . . 3.940 3.612 3.442 3.817 . 0 0 "[ . 1 . 2]" 1
125 1 9 GLU HA 1 9 GLU QG . . 3.670 3.037 2.915 3.198 . 0 0 "[ . 1 . 2]" 1
126 1 9 GLU HA 1 12 ARG QB . . 3.500 2.331 2.079 2.600 . 0 0 "[ . 1 . 2]" 1
127 1 9 GLU HA 1 12 ARG HD2 . . 4.670 2.376 2.100 2.965 . 0 0 "[ . 1 . 2]" 1
128 1 9 GLU HA 1 12 ARG HD3 . . 5.080 3.416 2.821 4.034 . 0 0 "[ . 1 . 2]" 1
129 1 9 GLU HA 1 13 GLY H . . 4.320 3.821 3.620 4.061 . 0 0 "[ . 1 . 2]" 1
130 1 9 GLU QB 1 10 LYS H . . 3.810 3.086 2.972 3.186 . 0 0 "[ . 1 . 2]" 1
131 1 9 GLU QB 1 10 LYS HA . . 5.810 4.229 4.086 4.341 . 0 0 "[ . 1 . 2]" 1
132 1 9 GLU QB 1 32 GLY H . . 3.560 2.921 2.712 3.236 . 0 0 "[ . 1 . 2]" 1
133 1 9 GLU QB 1 32 GLY HA2 . . 4.490 3.308 2.947 3.755 . 0 0 "[ . 1 . 2]" 1
134 1 9 GLU QB 1 32 GLY HA3 . . 5.170 3.001 2.604 3.396 . 0 0 "[ . 1 . 2]" 1
135 1 9 GLU QB 1 42 LEU MD2 . . 4.150 3.522 2.990 3.872 . 0 0 "[ . 1 . 2]" 1
136 1 9 GLU HB2 1 32 GLY H . . 4.140 3.402 3.104 3.727 . 0 0 "[ . 1 . 2]" 1
137 1 9 GLU HB2 1 32 GLY HA2 . . 5.220 3.414 3.050 3.914 . 0 0 "[ . 1 . 2]" 1
138 1 9 GLU HB3 1 32 GLY H . . 4.140 3.219 2.850 3.681 . 0 0 "[ . 1 . 2]" 1
139 1 9 GLU HB3 1 32 GLY HA2 . . 5.220 4.447 3.903 5.020 . 0 0 "[ . 1 . 2]" 1
140 1 9 GLU QG 1 32 GLY HA3 . . 5.710 4.063 3.357 4.632 . 0 0 "[ . 1 . 2]" 1
141 1 9 GLU QG 1 42 LEU MD2 . . 5.470 4.952 4.466 5.220 . 0 0 "[ . 1 . 2]" 1
142 1 9 GLU HG2 1 32 GLY HA2 . . 5.340 4.547 3.896 5.119 . 0 0 "[ . 1 . 2]" 1
143 1 9 GLU HG3 1 32 GLY HA2 . . 5.340 3.691 3.098 4.367 . 0 0 "[ . 1 . 2]" 1
144 1 10 LYS H 1 10 LYS QB . . 3.090 2.276 2.230 2.325 . 0 0 "[ . 1 . 2]" 1
145 1 10 LYS H 1 10 LYS HG2 . . 4.780 4.490 4.441 4.528 . 0 0 "[ . 1 . 2]" 1
146 1 10 LYS H 1 10 LYS QG . . 4.090 4.039 4.019 4.064 . 0 0 "[ . 1 . 2]" 1
147 1 10 LYS H 1 10 LYS HG3 . . 4.780 4.580 4.498 4.644 . 0 0 "[ . 1 . 2]" 1
148 1 10 LYS H 1 11 ASP H . . 3.730 2.565 2.422 2.745 . 0 0 "[ . 1 . 2]" 1
149 1 10 LYS H 1 11 ASP HB2 . . 4.910 4.437 4.006 4.792 . 0 0 "[ . 1 . 2]" 1
150 1 10 LYS H 1 42 LEU MD2 . . 3.650 3.551 3.409 3.658 0.008 11 0 "[ . 1 . 2]" 1
151 1 10 LYS HA 1 10 LYS QG . . 3.530 2.500 2.429 2.579 . 0 0 "[ . 1 . 2]" 1
152 1 10 LYS HA 1 13 GLY H . . 3.920 3.528 3.368 3.631 . 0 0 "[ . 1 . 2]" 1
153 1 10 LYS HA 1 14 ASN H . . 4.010 3.963 3.815 4.037 0.027 4 0 "[ . 1 . 2]" 1
154 1 10 LYS HA 1 28 CYS HB2 . . 4.960 4.976 4.909 5.003 0.043 1 0 "[ . 1 . 2]" 1
155 1 10 LYS HA 1 28 CYS HB3 . . 5.410 4.765 4.636 5.021 . 0 0 "[ . 1 . 2]" 1
156 1 10 LYS HA 1 29 TYR HA . . 4.200 3.928 3.692 4.117 . 0 0 "[ . 1 . 2]" 1
157 1 10 LYS HA 1 42 LEU MD2 . . 3.820 3.077 2.975 3.245 . 0 0 "[ . 1 . 2]" 1
158 1 10 LYS QB 1 11 ASP H . . 3.810 2.326 2.171 2.419 . 0 0 "[ . 1 . 2]" 1
159 1 10 LYS QB 1 11 ASP HA . . 4.320 4.253 4.069 4.315 . 0 0 "[ . 1 . 2]" 1
160 1 10 LYS QB 1 11 ASP HB3 . . 5.930 5.081 4.806 5.496 . 0 0 "[ . 1 . 2]" 1
161 1 10 LYS QB 1 13 GLY HA3 . . 6.000 6.001 5.907 6.028 0.028 19 0 "[ . 1 . 2]" 1
162 1 10 LYS QB 1 14 ASN QD . . 5.030 4.020 3.813 4.196 . 0 0 "[ . 1 . 2]" 1
163 1 10 LYS QB 1 29 TYR HA . . 5.250 4.823 4.656 4.974 . 0 0 "[ . 1 . 2]" 1
164 1 10 LYS QB 1 42 LEU MD2 . . 3.230 2.080 2.011 2.254 . 0 0 "[ . 1 . 2]" 1
165 1 10 LYS QD 1 14 ASN QD . . 5.290 3.513 3.356 3.811 . 0 0 "[ . 1 . 2]" 1
166 1 10 LYS QD 1 39 ASN HD21 . . 5.090 3.501 3.124 3.700 . 0 0 "[ . 1 . 2]" 1
167 1 10 LYS QD 1 39 ASN HD22 . . 5.020 3.210 2.731 3.408 . 0 0 "[ . 1 . 2]" 1
168 1 10 LYS QD 1 41 LEU QB . . 4.410 3.236 3.099 3.369 . 0 0 "[ . 1 . 2]" 1
169 1 10 LYS QD 1 41 LEU MD1 . . 3.870 3.457 3.281 3.729 . 0 0 "[ . 1 . 2]" 1
170 1 10 LYS QD 1 41 LEU MD2 . . 3.600 2.425 2.292 2.658 . 0 0 "[ . 1 . 2]" 1
171 1 10 LYS QD 1 41 LEU HG . . 3.670 2.169 2.085 2.293 . 0 0 "[ . 1 . 2]" 1
172 1 10 LYS QD 1 45 ASN HD22 . . 4.360 2.818 2.602 3.095 . 0 0 "[ . 1 . 2]" 1
173 1 10 LYS QD 2 9 ASP H . . 4.810 4.532 4.363 4.812 0.002 19 0 "[ . 1 . 2]" 1
174 1 10 LYS HE3 1 11 ASP H . . 4.130 4.124 3.897 4.194 0.064 11 0 "[ . 1 . 2]" 1
175 1 10 LYS HE3 1 41 LEU MD2 . . 3.690 3.719 3.601 3.745 0.055 8 0 "[ . 1 . 2]" 1
176 1 10 LYS HE3 1 41 LEU HG . . 4.580 4.616 4.587 4.654 0.074 15 0 "[ . 1 . 2]" 1
177 1 10 LYS HE3 1 45 ASN HD22 . . 5.060 4.840 4.290 5.061 0.001 11 0 "[ . 1 . 2]" 1
178 1 10 LYS QG 1 14 ASN QD . . 4.520 2.221 1.999 2.388 . 0 0 "[ . 1 . 2]" 1
179 1 10 LYS QG 1 45 ASN HD22 . . 4.920 2.977 2.758 3.208 . 0 0 "[ . 1 . 2]" 1
180 1 10 LYS HG2 1 14 ASN QD . . 5.250 2.242 2.014 2.415 . 0 0 "[ . 1 . 2]" 1
181 1 10 LYS HG3 1 14 ASN QD . . 5.250 3.618 3.301 3.792 . 0 0 "[ . 1 . 2]" 1
182 1 11 ASP H 1 11 ASP HB2 . . 3.990 2.209 2.061 2.395 . 0 0 "[ . 1 . 2]" 1
183 1 11 ASP H 1 11 ASP HB3 . . 3.810 2.991 2.646 3.522 . 0 0 "[ . 1 . 2]" 1
184 1 11 ASP H 1 12 ARG H . . 3.650 2.863 2.741 3.102 . 0 0 "[ . 1 . 2]" 1
185 1 11 ASP HA 1 12 ARG QG . . 5.530 5.323 5.092 5.511 . 0 0 "[ . 1 . 2]" 1
186 1 11 ASP HA 1 13 GLY H . . 5.070 4.796 4.545 4.943 . 0 0 "[ . 1 . 2]" 1
187 1 11 ASP HA 1 14 ASN H . . 3.910 3.707 3.428 3.914 0.004 19 0 "[ . 1 . 2]" 1
188 1 11 ASP HA 1 14 ASN HB2 . . 3.780 2.972 2.683 3.244 . 0 0 "[ . 1 . 2]" 1
189 1 11 ASP HA 1 14 ASN QD . . 4.540 2.435 2.263 2.878 . 0 0 "[ . 1 . 2]" 1
190 1 11 ASP HA 1 15 GLY H . . 4.860 4.457 4.211 4.743 . 0 0 "[ . 1 . 2]" 1
191 1 11 ASP HA 2 8 VAL QG . . 5.470 6.006 5.781 6.366 0.896 18 10 "[*-**. * ** * * + 2]" 1
192 1 11 ASP HB2 1 12 ARG H . . 3.830 3.314 2.627 3.605 . 0 0 "[ . 1 . 2]" 1
193 1 11 ASP HB2 1 12 ARG HD2 . . 6.000 5.924 5.313 6.070 0.070 7 0 "[ . 1 . 2]" 1
194 1 11 ASP HB3 1 12 ARG H . . 3.950 2.613 2.235 3.441 . 0 0 "[ . 1 . 2]" 1
195 1 11 ASP HB3 1 12 ARG QB . . 6.000 4.597 4.221 5.364 . 0 0 "[ . 1 . 2]" 1
196 1 12 ARG H 1 12 ARG QB . . 3.110 2.319 2.272 2.345 . 0 0 "[ . 1 . 2]" 1
197 1 12 ARG H 1 12 ARG HD2 . . 4.370 3.545 3.352 3.791 . 0 0 "[ . 1 . 2]" 1
198 1 12 ARG H 1 12 ARG HD3 . . 5.750 4.547 4.345 4.812 . 0 0 "[ . 1 . 2]" 1
199 1 12 ARG H 1 12 ARG HE . . 5.850 4.999 4.651 5.293 . 0 0 "[ . 1 . 2]" 1
200 1 12 ARG H 1 12 ARG QG . . 3.320 2.432 2.308 2.615 . 0 0 "[ . 1 . 2]" 1
201 1 12 ARG H 1 13 GLY H . . 3.530 2.944 2.869 3.026 . 0 0 "[ . 1 . 2]" 1
202 1 12 ARG H 1 14 ASN H . . 4.490 4.240 4.123 4.318 . 0 0 "[ . 1 . 2]" 1
203 1 12 ARG H 1 14 ASN HB2 . . 6.000 5.283 5.078 5.505 . 0 0 "[ . 1 . 2]" 1
204 1 12 ARG H 1 15 GLY H . . 5.210 5.114 4.796 5.244 0.034 14 0 "[ . 1 . 2]" 1
205 1 12 ARG H 1 28 CYS HB3 . . 5.880 4.858 4.687 5.049 . 0 0 "[ . 1 . 2]" 1
206 1 12 ARG HA 1 12 ARG HD2 . . 4.560 4.518 4.451 4.570 0.010 1 0 "[ . 1 . 2]" 1
207 1 12 ARG HA 1 12 ARG HD3 . . 4.420 4.450 4.426 4.463 0.043 20 0 "[ . 1 . 2]" 1
208 1 12 ARG HA 1 12 ARG HE . . 5.870 4.896 4.623 5.243 . 0 0 "[ . 1 . 2]" 1
209 1 12 ARG HA 1 12 ARG QG . . 3.140 2.343 2.267 2.395 . 0 0 "[ . 1 . 2]" 1
210 1 12 ARG HA 1 15 GLY H . . 4.070 3.874 3.595 4.072 0.002 14 0 "[ . 1 . 2]" 1
211 1 12 ARG QB 1 12 ARG HD2 . . 3.450 2.397 2.238 2.620 . 0 0 "[ . 1 . 2]" 1
212 1 12 ARG QB 1 12 ARG HD3 . . 3.460 2.401 2.246 2.537 . 0 0 "[ . 1 . 2]" 1
213 1 12 ARG QB 1 12 ARG HE . . 4.430 3.999 3.895 4.148 . 0 0 "[ . 1 . 2]" 1
214 1 12 ARG QB 1 13 GLY H . . 3.400 2.422 2.314 2.510 . 0 0 "[ . 1 . 2]" 1
215 1 12 ARG QB 1 14 ASN H . . 4.590 4.613 4.596 4.628 0.038 2 0 "[ . 1 . 2]" 1
216 1 12 ARG QB 1 15 GLY H . . 5.490 5.141 4.974 5.319 . 0 0 "[ . 1 . 2]" 1
217 1 12 ARG QB 1 16 PHE H . . 5.710 5.188 4.978 5.449 . 0 0 "[ . 1 . 2]" 1
218 1 12 ARG QB 1 16 PHE QD . . 4.970 3.723 3.395 4.031 . 0 0 "[ . 1 . 2]" 1
219 1 12 ARG QB 1 28 CYS HB2 . . 4.490 3.881 3.663 3.970 . 0 0 "[ . 1 . 2]" 1
220 1 12 ARG QB 1 28 CYS HB3 . . 5.080 2.845 2.703 2.937 . 0 0 "[ . 1 . 2]" 1
221 1 12 ARG QG 1 13 GLY H . . 4.250 4.252 4.212 4.274 0.024 11 0 "[ . 1 . 2]" 1
222 1 12 ARG QG 1 28 CYS HB3 . . 5.080 5.019 4.836 5.118 0.038 19 0 "[ . 1 . 2]" 1
223 1 13 GLY H 1 14 ASN H . . 3.490 2.752 2.643 2.836 . 0 0 "[ . 1 . 2]" 1
224 1 13 GLY H 1 15 GLY H . . 4.620 4.483 4.350 4.626 0.006 2 0 "[ . 1 . 2]" 1
225 1 13 GLY H 1 16 PHE QD . . 4.730 4.383 4.100 4.588 . 0 0 "[ . 1 . 2]" 1
226 1 13 GLY H 1 28 CYS HA . . 5.780 5.323 5.134 5.518 . 0 0 "[ . 1 . 2]" 1
227 1 13 GLY H 1 28 CYS HB2 . . 3.970 3.156 3.053 3.251 . 0 0 "[ . 1 . 2]" 1
228 1 13 GLY H 1 28 CYS HB3 . . 5.290 2.892 2.700 3.077 . 0 0 "[ . 1 . 2]" 1
229 1 13 GLY HA2 1 16 PHE H . . 3.680 3.318 3.184 3.486 . 0 0 "[ . 1 . 2]" 1
230 1 13 GLY HA2 1 16 PHE HB2 . . 5.020 2.669 2.459 2.929 . 0 0 "[ . 1 . 2]" 1
231 1 13 GLY HA2 1 16 PHE QD . . 4.790 2.304 2.100 2.526 . 0 0 "[ . 1 . 2]" 1
232 1 13 GLY HA2 1 25 ALA HA . . 4.050 2.139 2.028 2.273 . 0 0 "[ . 1 . 2]" 1
233 1 13 GLY HA2 1 25 ALA MB . . 4.630 3.228 3.063 3.357 . 0 0 "[ . 1 . 2]" 1
234 1 13 GLY HA2 1 28 CYS HB2 . . 5.070 2.708 2.555 2.841 . 0 0 "[ . 1 . 2]" 1
235 1 13 GLY HA2 1 28 CYS HB3 . . 5.000 3.747 3.589 3.947 . 0 0 "[ . 1 . 2]" 1
236 1 13 GLY HA2 1 29 TYR H . . 5.120 4.636 4.485 4.804 . 0 0 "[ . 1 . 2]" 1
237 1 13 GLY HA3 1 14 ASN H . . 3.420 2.982 2.912 3.037 . 0 0 "[ . 1 . 2]" 1
238 1 13 GLY HA3 1 16 PHE H . . 4.770 4.657 4.550 4.773 0.003 19 0 "[ . 1 . 2]" 1
239 1 13 GLY HA3 1 16 PHE QD . . 5.110 3.986 3.828 4.224 . 0 0 "[ . 1 . 2]" 1
240 1 13 GLY HA3 1 25 ALA H . . 5.510 5.567 5.540 5.600 0.090 19 0 "[ . 1 . 2]" 1
241 1 13 GLY HA3 1 25 ALA HA . . 3.960 2.748 2.700 2.792 . 0 0 "[ . 1 . 2]" 1
242 1 13 GLY HA3 1 25 ALA MB . . 3.640 3.296 3.122 3.435 . 0 0 "[ . 1 . 2]" 1
243 1 13 GLY HA3 1 28 CYS HB2 . . 4.790 2.306 2.203 2.445 . 0 0 "[ . 1 . 2]" 1
244 1 14 ASN H 1 14 ASN HB2 . . 3.370 2.585 2.456 2.671 . 0 0 "[ . 1 . 2]" 1
245 1 14 ASN H 1 14 ASN HB3 . . 3.610 3.627 3.594 3.639 0.029 18 0 "[ . 1 . 2]" 1
246 1 14 ASN H 1 14 ASN QD . . 4.390 3.667 3.511 3.816 . 0 0 "[ . 1 . 2]" 1
247 1 14 ASN H 1 15 GLY H . . 3.610 2.876 2.786 2.934 . 0 0 "[ . 1 . 2]" 1
248 1 14 ASN H 1 16 PHE H . . 4.500 4.363 4.285 4.410 . 0 0 "[ . 1 . 2]" 1
249 1 14 ASN H 1 17 PHE H . . 4.890 4.808 4.719 4.899 0.009 14 0 "[ . 1 . 2]" 1
250 1 14 ASN H 2 8 VAL QG . . 4.430 4.591 4.398 4.974 0.544 18 1 "[ . 1 . + 2]" 1
251 1 14 ASN HA 1 17 PHE H . . 4.250 3.409 3.308 3.539 . 0 0 "[ . 1 . 2]" 1
252 1 14 ASN HA 1 17 PHE HA . . 5.660 5.426 5.263 5.604 . 0 0 "[ . 1 . 2]" 1
253 1 14 ASN HA 1 17 PHE HB2 . . 3.890 3.509 3.295 3.714 . 0 0 "[ . 1 . 2]" 1
254 1 14 ASN HA 1 17 PHE HB3 . . 4.310 2.766 2.609 2.938 . 0 0 "[ . 1 . 2]" 1
255 1 14 ASN HA 1 17 PHE QD . . 4.920 4.439 4.237 4.673 . 0 0 "[ . 1 . 2]" 1
256 1 14 ASN HA 1 18 LYS HG3 . . 4.690 4.412 4.301 4.620 . 0 0 "[ . 1 . 2]" 1
257 1 14 ASN HA 1 25 ALA MB . . 4.430 4.035 3.883 4.128 . 0 0 "[ . 1 . 2]" 1
258 1 14 ASN HA 2 8 VAL HB . . 4.080 3.500 3.205 3.882 . 0 0 "[ . 1 . 2]" 1
259 1 14 ASN HA 2 8 VAL QG . . 3.540 2.453 2.214 2.882 . 0 0 "[ . 1 . 2]" 1
260 1 14 ASN HA 2 9 ASP H . . 4.750 4.753 4.666 4.799 0.049 13 0 "[ . 1 . 2]" 1
261 1 14 ASN HB2 1 15 GLY H . . 3.780 2.585 2.468 2.725 . 0 0 "[ . 1 . 2]" 1
262 1 14 ASN HB2 2 8 VAL QG . . 3.860 4.007 3.837 4.278 0.418 18 0 "[ . 1 . 2]" 1
263 1 14 ASN HB2 2 9 ASP H . . 5.360 5.417 5.370 5.451 0.091 18 0 "[ . 1 . 2]" 1
264 1 14 ASN HB3 1 15 GLY H . . 3.840 3.616 3.522 3.756 . 0 0 "[ . 1 . 2]" 1
265 1 14 ASN HB3 2 8 VAL QG . . 3.650 2.664 2.477 2.953 . 0 0 "[ . 1 . 2]" 1
266 1 14 ASN HB3 2 9 ASP H . . 4.870 4.414 4.334 4.520 . 0 0 "[ . 1 . 2]" 1
267 1 14 ASN QD 1 41 LEU HG . . 5.400 5.160 4.768 5.267 . 0 0 "[ . 1 . 2]" 1
268 1 14 ASN QD 1 45 ASN HD21 . . 4.690 3.988 3.327 4.232 . 0 0 "[ . 1 . 2]" 1
269 1 14 ASN QD 1 45 ASN HD22 . . 4.570 3.763 3.177 4.009 . 0 0 "[ . 1 . 2]" 1
270 1 14 ASN QD 2 8 VAL HB . . 6.000 4.340 3.861 4.809 . 0 0 "[ . 1 . 2]" 1
271 1 14 ASN QD 2 8 VAL QG . . 3.860 3.902 3.621 4.154 0.294 10 0 "[ . 1 . 2]" 1
272 1 14 ASN QD 2 9 ASP H . . 4.740 3.379 2.861 3.614 . 0 0 "[ . 1 . 2]" 1
273 1 15 GLY H 1 16 PHE H . . 3.380 2.846 2.797 2.941 . 0 0 "[ . 1 . 2]" 1
274 1 15 GLY H 1 16 PHE QD . . 5.150 5.115 4.814 5.172 0.022 10 0 "[ . 1 . 2]" 1
275 1 15 GLY H 1 17 PHE H . . 4.540 4.155 4.050 4.225 . 0 0 "[ . 1 . 2]" 1
276 1 15 GLY H 1 18 LYS H . . 5.120 4.891 4.781 5.054 . 0 0 "[ . 1 . 2]" 1
277 1 15 GLY H 2 8 VAL QG . . 4.600 4.992 4.786 5.394 0.794 18 6 "[* . * * * - + 2]" 1
278 1 15 GLY QA 1 16 PHE H . . 3.350 2.737 2.669 2.809 . 0 0 "[ . 1 . 2]" 1
279 1 15 GLY QA 1 18 LYS H . . 3.980 3.365 3.208 3.456 . 0 0 "[ . 1 . 2]" 1
280 1 15 GLY QA 1 18 LYS QB . . 4.810 3.077 2.929 3.273 . 0 0 "[ . 1 . 2]" 1
281 1 15 GLY QA 1 18 LYS HG3 . . 4.960 2.716 2.385 2.979 . 0 0 "[ . 1 . 2]" 1
282 1 15 GLY QA 1 19 GLU H . . 4.100 4.080 3.873 4.132 0.032 7 0 "[ . 1 . 2]" 1
283 1 16 PHE H 1 16 PHE HB2 . . 3.530 2.391 2.328 2.515 . 0 0 "[ . 1 . 2]" 1
284 1 16 PHE H 1 16 PHE HB3 . . 3.620 3.591 3.568 3.618 . 0 0 "[ . 1 . 2]" 1
285 1 16 PHE H 1 16 PHE QD . . 3.530 3.159 2.804 3.254 . 0 0 "[ . 1 . 2]" 1
286 1 16 PHE H 1 17 PHE H . . 3.370 2.737 2.620 2.801 . 0 0 "[ . 1 . 2]" 1
287 1 16 PHE H 1 17 PHE HB3 . . 5.200 4.976 4.833 5.098 . 0 0 "[ . 1 . 2]" 1
288 1 16 PHE H 1 18 LYS H . . 4.460 4.210 4.124 4.277 . 0 0 "[ . 1 . 2]" 1
289 1 16 PHE H 1 18 LYS HG3 . . 5.350 5.306 5.082 5.391 0.041 4 0 "[ . 1 . 2]" 1
290 1 16 PHE H 1 19 GLU QB . . 5.170 5.021 4.839 5.180 0.010 10 0 "[ . 1 . 2]" 1
291 1 16 PHE H 1 25 ALA HA . . 4.560 4.481 4.351 4.579 0.019 14 0 "[ . 1 . 2]" 1
292 1 16 PHE H 1 25 ALA MB . . 3.980 3.979 3.930 3.994 0.014 5 0 "[ . 1 . 2]" 1
293 1 16 PHE H 2 8 VAL QG . . 5.200 5.696 5.471 6.150 0.950 18 8 "[- .*** * * * + 2]" 1
294 1 16 PHE HA 1 16 PHE QD . . 3.300 2.399 2.206 2.810 . 0 0 "[ . 1 . 2]" 1
295 1 16 PHE HA 1 17 PHE HA . . 4.800 4.780 4.741 4.800 . 13 0 "[ . 1 . 2]" 1
296 1 16 PHE HA 1 18 LYS H . . 4.240 4.241 4.166 4.273 0.033 10 0 "[ . 1 . 2]" 1
297 1 16 PHE HA 1 19 GLU H . . 3.880 3.342 3.203 3.454 . 0 0 "[ . 1 . 2]" 1
298 1 16 PHE HA 1 19 GLU QB . . 3.710 2.524 2.346 2.786 . 0 0 "[ . 1 . 2]" 1
299 1 16 PHE HA 1 19 GLU QG . . 3.900 3.505 2.968 3.919 0.019 5 0 "[ . 1 . 2]" 1
300 1 16 PHE HA 1 21 LYS H . . 4.280 3.863 3.751 4.004 . 0 0 "[ . 1 . 2]" 1
301 1 16 PHE HA 1 21 LYS HB2 . . 3.860 2.869 2.679 3.052 . 0 0 "[ . 1 . 2]" 1
302 1 16 PHE HA 1 21 LYS QD . . 4.510 3.389 3.015 4.117 . 0 0 "[ . 1 . 2]" 1
303 1 16 PHE HA 1 25 ALA MB . . 4.980 4.407 4.311 4.557 . 0 0 "[ . 1 . 2]" 1
304 1 16 PHE HB2 1 17 PHE H . . 4.160 2.954 2.833 3.117 . 0 0 "[ . 1 . 2]" 1
305 1 16 PHE HB2 1 17 PHE HA . . 4.970 4.604 4.475 4.673 . 0 0 "[ . 1 . 2]" 1
306 1 16 PHE HB2 1 18 LYS H . . 5.330 5.195 5.120 5.317 . 0 0 "[ . 1 . 2]" 1
307 1 16 PHE HB2 1 25 ALA H . . 4.050 3.254 3.125 3.403 . 0 0 "[ . 1 . 2]" 1
308 1 16 PHE HB2 1 25 ALA HA . . 4.020 2.646 2.470 2.873 . 0 0 "[ . 1 . 2]" 1
309 1 16 PHE HB2 1 25 ALA MB . . 3.640 2.483 2.377 2.582 . 0 0 "[ . 1 . 2]" 1
310 1 16 PHE HB3 1 17 PHE H . . 5.800 3.742 3.578 4.042 . 0 0 "[ . 1 . 2]" 1
311 1 16 PHE HB3 1 21 LYS HA . . 5.330 4.963 4.802 5.108 . 0 0 "[ . 1 . 2]" 1
312 1 16 PHE HB3 1 21 LYS HB2 . . 4.540 2.617 2.335 2.883 . 0 0 "[ . 1 . 2]" 1
313 1 16 PHE HB3 1 24 ARG H . . 5.130 4.135 3.924 4.354 . 0 0 "[ . 1 . 2]" 1
314 1 16 PHE HB3 1 24 ARG HB2 . . 5.360 2.355 2.221 2.688 . 0 0 "[ . 1 . 2]" 1
315 1 16 PHE HB3 1 24 ARG HB3 . . 5.750 3.280 3.076 3.518 . 0 0 "[ . 1 . 2]" 1
316 1 16 PHE HB3 1 25 ALA H . . 3.970 2.775 2.606 3.174 . 0 0 "[ . 1 . 2]" 1
317 1 16 PHE HB3 1 25 ALA HA . . 5.060 3.723 3.451 4.213 . 0 0 "[ . 1 . 2]" 1
318 1 16 PHE QD 1 19 GLU QB . . 5.230 3.616 3.194 4.154 . 0 0 "[ . 1 . 2]" 1
319 1 16 PHE QD 1 19 GLU QG . . 4.800 4.684 3.798 5.298 0.498 7 0 "[ . 1 . 2]" 1
320 1 16 PHE QD 1 21 LYS H . . 5.230 4.710 4.491 5.188 . 0 0 "[ . 1 . 2]" 1
321 1 16 PHE QD 1 21 LYS QD . . 3.450 2.366 2.190 2.821 . 0 0 "[ . 1 . 2]" 1
322 1 16 PHE QD 1 21 LYS QE . . 5.090 4.482 4.288 4.868 . 0 0 "[ . 1 . 2]" 1
323 1 16 PHE QD 1 24 ARG H . . 5.540 5.129 4.658 5.524 . 0 0 "[ . 1 . 2]" 1
324 1 16 PHE QD 1 24 ARG HA . . 4.710 4.746 4.718 4.780 0.070 12 0 "[ . 1 . 2]" 1
325 1 16 PHE QD 1 24 ARG HB2 . . 4.980 3.049 2.408 3.622 . 0 0 "[ . 1 . 2]" 1
326 1 16 PHE QD 1 24 ARG HB3 . . 4.950 3.077 2.815 3.149 . 0 0 "[ . 1 . 2]" 1
327 1 16 PHE QD 1 24 ARG HD2 . . 4.760 4.765 4.687 4.797 0.037 7 0 "[ . 1 . 2]" 1
328 1 16 PHE QD 1 24 ARG QG . . 4.730 3.528 3.032 4.214 . 0 0 "[ . 1 . 2]" 1
329 1 16 PHE QD 1 25 ALA HA . . 4.150 3.149 2.862 3.427 . 0 0 "[ . 1 . 2]" 1
330 1 16 PHE QD 1 25 ALA MB . . 4.000 4.007 3.868 4.077 0.077 17 0 "[ . 1 . 2]" 1
331 1 17 PHE H 1 17 PHE HB2 . . 3.400 2.601 2.539 2.667 . 0 0 "[ . 1 . 2]" 1
332 1 17 PHE H 1 17 PHE HB3 . . 3.570 2.466 2.381 2.525 . 0 0 "[ . 1 . 2]" 1
333 1 17 PHE H 1 17 PHE QD . . 4.300 4.215 4.177 4.237 . 0 0 "[ . 1 . 2]" 1
334 1 17 PHE H 1 18 LYS H . . 3.690 2.580 2.515 2.626 . 0 0 "[ . 1 . 2]" 1
335 1 17 PHE H 1 18 LYS QB . . 4.860 4.867 4.778 4.888 0.028 7 0 "[ . 1 . 2]" 1
336 1 17 PHE H 1 18 LYS HG2 . . 4.830 4.846 4.692 4.884 0.054 10 0 "[ . 1 . 2]" 1
337 1 17 PHE H 1 18 LYS HG3 . . 4.530 4.403 4.118 4.544 0.014 15 0 "[ . 1 . 2]" 1
338 1 17 PHE H 1 19 GLU H . . 4.120 4.104 3.981 4.152 0.032 18 0 "[ . 1 . 2]" 1
339 1 17 PHE H 1 25 ALA H . . 5.120 4.927 4.816 5.055 . 0 0 "[ . 1 . 2]" 1
340 1 17 PHE H 1 25 ALA HA . . 5.030 4.386 4.255 4.555 . 0 0 "[ . 1 . 2]" 1
341 1 17 PHE H 1 25 ALA MB . . 3.570 2.675 2.603 2.762 . 0 0 "[ . 1 . 2]" 1
342 1 17 PHE H 2 8 VAL QG . . 4.140 4.144 3.846 4.563 0.423 18 0 "[ . 1 . 2]" 1
343 1 17 PHE HA 1 17 PHE QD . . 3.870 2.928 2.782 3.061 . 0 0 "[ . 1 . 2]" 1
344 1 17 PHE HA 1 18 LYS H . . 3.540 3.559 3.551 3.564 0.024 4 0 "[ . 1 . 2]" 1
345 1 17 PHE HA 1 18 LYS HA . . 4.690 4.743 4.729 4.764 0.074 10 0 "[ . 1 . 2]" 1
346 1 17 PHE HA 1 19 GLU H . . 4.660 4.439 4.302 4.567 . 0 0 "[ . 1 . 2]" 1
347 1 17 PHE HA 1 20 GLY H . . 4.640 3.709 3.513 4.028 . 0 0 "[ . 1 . 2]" 1
348 1 17 PHE HA 1 20 GLY HA2 . . 5.530 4.122 3.842 4.552 . 0 0 "[ . 1 . 2]" 1
349 1 17 PHE HA 1 21 LYS H . . 4.430 3.832 3.680 4.308 . 0 0 "[ . 1 . 2]" 1
350 1 17 PHE HA 1 22 TYR H . . 5.120 4.438 4.057 4.639 . 0 0 "[ . 1 . 2]" 1
351 1 17 PHE HA 1 22 TYR HA . . 4.230 3.008 2.631 3.234 . 0 0 "[ . 1 . 2]" 1
352 1 17 PHE HA 1 22 TYR QD . . 4.270 2.888 2.487 3.185 . 0 0 "[ . 1 . 2]" 1
353 1 17 PHE HA 1 22 TYR QE . . 4.530 4.058 3.631 4.539 0.009 5 0 "[ . 1 . 2]" 1
354 1 17 PHE HA 1 25 ALA H . . 4.800 4.675 4.596 4.762 . 0 0 "[ . 1 . 2]" 1
355 1 17 PHE HA 1 25 ALA MB . . 3.900 2.867 2.784 2.938 . 0 0 "[ . 1 . 2]" 1
356 1 17 PHE HA 1 26 ILE H . . 6.000 6.082 6.034 6.113 0.113 15 0 "[ . 1 . 2]" 1
357 1 17 PHE HA 1 49 ALA MB . . 4.460 4.316 4.117 4.445 . 0 0 "[ . 1 . 2]" 1
358 1 17 PHE HA 2 8 VAL QG . . 4.560 4.479 4.252 4.770 0.210 8 0 "[ . 1 . 2]" 1
359 1 17 PHE HB2 1 18 LYS H . . 5.400 4.042 3.991 4.114 . 0 0 "[ . 1 . 2]" 1
360 1 17 PHE HB2 1 25 ALA MB . . 3.490 2.320 2.171 2.410 . 0 0 "[ . 1 . 2]" 1
361 1 17 PHE HB2 2 8 VAL QG . . 4.190 2.997 2.722 3.427 . 0 0 "[ . 1 . 2]" 1
362 1 17 PHE HB3 1 18 LYS H . . 3.880 2.839 2.769 2.943 . 0 0 "[ . 1 . 2]" 1
363 1 17 PHE HB3 1 18 LYS HG3 . . 4.620 4.007 3.656 4.303 . 0 0 "[ . 1 . 2]" 1
364 1 17 PHE HB3 1 25 ALA MB . . 4.730 3.544 3.425 3.669 . 0 0 "[ . 1 . 2]" 1
365 1 17 PHE HB3 2 8 VAL QG . . 4.020 2.418 2.159 2.713 . 0 0 "[ . 1 . 2]" 1
366 1 17 PHE QD 1 18 LYS H . . 3.850 3.609 3.458 3.765 . 0 0 "[ . 1 . 2]" 1
367 1 17 PHE QD 1 18 LYS HA . . 4.200 3.392 3.158 3.547 . 0 0 "[ . 1 . 2]" 1
368 1 17 PHE QD 1 18 LYS QE . . 5.220 3.983 3.378 4.890 . 0 0 "[ . 1 . 2]" 1
369 1 17 PHE QD 1 18 LYS HG2 . . 5.160 2.806 2.411 3.294 . 0 0 "[ . 1 . 2]" 1
370 1 17 PHE QD 1 18 LYS HG3 . . 4.900 4.168 3.729 4.671 . 0 0 "[ . 1 . 2]" 1
371 1 17 PHE QD 1 22 TYR H . . 5.640 5.577 5.357 5.658 0.018 13 0 "[ . 1 . 2]" 1
372 1 17 PHE QD 1 22 TYR HA . . 4.360 3.327 3.002 3.451 . 0 0 "[ . 1 . 2]" 1
373 1 17 PHE QD 1 25 ALA MB . . 4.200 3.095 2.760 3.243 . 0 0 "[ . 1 . 2]" 1
374 1 17 PHE QD 1 49 ALA HA . . 3.890 3.030 2.806 3.250 . 0 0 "[ . 1 . 2]" 1
375 1 17 PHE QD 1 49 ALA MB . . 3.700 2.288 2.198 2.371 . 0 0 "[ . 1 . 2]" 1
376 1 17 PHE QD 2 8 VAL QG . . 3.880 2.321 2.187 2.489 . 0 0 "[ . 1 . 2]" 1
377 1 17 PHE QE 1 48 MET HB2 . . 5.180 3.806 3.511 4.062 . 0 0 "[ . 1 . 2]" 1
378 1 17 PHE QE 1 48 MET QB . . 4.520 2.616 2.343 2.792 . 0 0 "[ . 1 . 2]" 1
379 1 17 PHE QE 1 48 MET HB3 . . 5.180 2.666 2.372 2.844 . 0 0 "[ . 1 . 2]" 1
380 1 17 PHE HZ 1 48 MET QB . . 5.700 2.982 2.672 3.202 . 0 0 "[ . 1 . 2]" 1
381 1 18 LYS H 1 18 LYS QB . . 3.140 2.635 2.588 2.684 . 0 0 "[ . 1 . 2]" 1
382 1 18 LYS H 1 18 LYS QE . . 5.810 4.334 4.143 4.631 . 0 0 "[ . 1 . 2]" 1
383 1 18 LYS H 1 18 LYS HG2 . . 3.320 2.775 2.666 2.856 . 0 0 "[ . 1 . 2]" 1
384 1 18 LYS H 1 18 LYS HG3 . . 3.360 2.502 2.251 2.656 . 0 0 "[ . 1 . 2]" 1
385 1 18 LYS H 1 19 GLU H . . 3.350 2.527 2.482 2.578 . 0 0 "[ . 1 . 2]" 1
386 1 18 LYS H 1 19 GLU HA . . 5.250 5.262 5.230 5.282 0.032 20 0 "[ . 1 . 2]" 1
387 1 18 LYS H 1 19 GLU QG . . 4.360 4.340 4.223 4.386 0.026 18 0 "[ . 1 . 2]" 1
388 1 18 LYS H 1 20 GLY H . . 4.280 3.920 3.826 4.051 . 0 0 "[ . 1 . 2]" 1
389 1 18 LYS H 2 8 VAL QG . . 4.230 4.057 3.772 4.420 0.190 18 0 "[ . 1 . 2]" 1
390 1 18 LYS HA 1 18 LYS HE2 . . 5.650 4.898 4.652 5.208 . 0 0 "[ . 1 . 2]" 1
391 1 18 LYS HA 1 18 LYS QE . . 4.910 4.564 4.396 4.787 . 0 0 "[ . 1 . 2]" 1
392 1 18 LYS HA 1 18 LYS HE3 . . 5.650 5.460 5.264 5.645 . 0 0 "[ . 1 . 2]" 1
393 1 18 LYS HA 1 18 LYS HG2 . . 3.310 2.600 2.537 2.690 . 0 0 "[ . 1 . 2]" 1
394 1 18 LYS HA 1 18 LYS HG3 . . 3.660 3.622 3.553 3.674 0.014 10 0 "[ . 1 . 2]" 1
395 1 18 LYS HA 1 20 GLY H . . 4.050 3.428 3.303 3.603 . 0 0 "[ . 1 . 2]" 1
396 1 18 LYS HA 2 8 VAL QG . . 4.720 4.593 4.400 4.844 0.124 8 0 "[ . 1 . 2]" 1
397 1 18 LYS QB 1 18 LYS QE . . 4.090 3.570 3.512 3.603 . 0 0 "[ . 1 . 2]" 1
398 1 18 LYS QB 1 19 GLU H . . 3.470 2.769 2.557 2.880 . 0 0 "[ . 1 . 2]" 1
399 1 18 LYS QB 1 20 GLY H . . 4.390 4.407 4.374 4.434 0.044 5 0 "[ . 1 . 2]" 1
400 1 18 LYS QB 2 8 VAL QG . . 4.450 4.651 4.426 4.942 0.492 12 0 "[ . 1 . 2]" 1
401 1 18 LYS QD 2 8 VAL QG . . 3.620 4.032 3.710 4.499 0.879 10 7 "[* . * + * - * *]" 1
402 1 18 LYS QE 1 18 LYS HG3 . . 3.170 2.335 2.170 2.454 . 0 0 "[ . 1 . 2]" 1
403 1 18 LYS QE 2 8 VAL QG . . 2.810 2.529 2.107 3.408 0.598 10 1 "[ . + . 2]" 1
404 1 18 LYS HE2 2 8 VAL QG . . 3.230 2.665 2.175 3.610 0.380 10 0 "[ . 1 . 2]" 1
405 1 18 LYS HE3 2 8 VAL QG . . 3.230 3.200 2.542 4.185 0.955 10 4 "[- . + * . * 2]" 1
406 1 18 LYS HG2 1 19 GLU H . . 4.920 4.669 4.549 4.739 . 0 0 "[ . 1 . 2]" 1
407 1 18 LYS HG2 2 8 VAL QG . . 3.670 3.108 2.844 3.416 . 0 0 "[ . 1 . 2]" 1
408 1 18 LYS HG3 1 19 GLU H . . 4.310 4.252 4.077 4.342 0.032 16 0 "[ . 1 . 2]" 1
409 1 18 LYS HG3 1 19 GLU QG . . 5.220 5.134 4.789 5.250 0.030 11 0 "[ . 1 . 2]" 1
410 1 18 LYS HG3 2 8 VAL QG . . 4.000 3.669 3.300 4.144 0.144 18 0 "[ . 1 . 2]" 1
411 1 19 GLU H 1 19 GLU QB . . 2.970 2.379 2.292 2.467 . 0 0 "[ . 1 . 2]" 1
412 1 19 GLU H 1 19 GLU QG . . 3.030 2.439 2.351 2.537 . 0 0 "[ . 1 . 2]" 1
413 1 19 GLU H 1 20 GLY H . . 3.090 2.748 2.669 2.796 . 0 0 "[ . 1 . 2]" 1
414 1 19 GLU H 1 20 GLY HA2 . . 4.980 4.992 4.890 5.012 0.032 4 0 "[ . 1 . 2]" 1
415 1 19 GLU H 1 20 GLY HA3 . . 5.490 5.406 5.322 5.437 . 0 0 "[ . 1 . 2]" 1
416 1 19 GLU H 1 21 LYS H . . 3.970 3.760 3.601 3.917 . 0 0 "[ . 1 . 2]" 1
417 1 19 GLU H 1 21 LYS HB2 . . 5.110 4.776 4.576 5.008 . 0 0 "[ . 1 . 2]" 1
418 1 19 GLU HA 1 19 GLU QB . . 2.780 2.402 2.366 2.441 . 0 0 "[ . 1 . 2]" 1
419 1 19 GLU HA 1 19 GLU QG . . 3.020 2.463 2.234 2.900 . 0 0 "[ . 1 . 2]" 1
420 1 19 GLU HA 1 20 GLY H . . 3.510 3.318 3.188 3.420 . 0 0 "[ . 1 . 2]" 1
421 1 19 GLU QB 1 20 GLY H . . 3.660 3.463 3.240 3.647 . 0 0 "[ . 1 . 2]" 1
422 1 19 GLU QB 1 21 LYS H . . 3.720 2.888 2.529 3.264 . 0 0 "[ . 1 . 2]" 1
423 1 19 GLU QB 1 21 LYS HA . . 5.290 4.909 4.604 5.323 0.033 6 0 "[ . 1 . 2]" 1
424 1 19 GLU QB 1 21 LYS QD . . 3.990 2.619 2.276 3.499 . 0 0 "[ . 1 . 2]" 1
425 1 19 GLU QB 1 21 LYS QE . . 4.540 2.546 1.978 3.849 . 0 0 "[ . 1 . 2]" 1
426 1 19 GLU QG 1 20 GLY H . . 4.610 4.501 4.358 4.576 . 0 0 "[ . 1 . 2]" 1
427 1 19 GLU QG 1 21 LYS H . . 5.030 4.823 4.569 5.037 0.007 10 0 "[ . 1 . 2]" 1
428 1 19 GLU QG 1 21 LYS QE . . 4.690 4.240 3.410 5.387 0.697 6 1 "[ .+ 1 . 2]" 1
429 1 20 GLY H 1 21 LYS H . . 3.080 2.631 2.468 2.770 . 0 0 "[ . 1 . 2]" 1
430 1 20 GLY H 1 22 TYR QD . . 4.960 4.923 4.759 4.977 0.017 13 0 "[ . 1 . 2]" 1
431 1 20 GLY H 1 22 TYR QE . . 4.660 4.449 4.136 4.669 0.009 12 0 "[ . 1 . 2]" 1
432 1 20 GLY HA2 1 21 LYS HA . . 4.940 4.766 4.708 4.805 . 0 0 "[ . 1 . 2]" 1
433 1 20 GLY HA2 1 22 TYR QE . . 4.630 3.111 2.804 3.398 . 0 0 "[ . 1 . 2]" 1
434 1 20 GLY HA3 1 22 TYR QE . . 4.950 4.230 3.772 4.648 . 0 0 "[ . 1 . 2]" 1
435 1 21 LYS H 1 21 LYS HB2 . . 3.310 2.442 2.384 2.524 . 0 0 "[ . 1 . 2]" 1
436 1 21 LYS H 1 21 LYS HB3 . . 3.870 3.635 3.604 3.695 . 0 0 "[ . 1 . 2]" 1
437 1 21 LYS H 1 21 LYS QD . . 4.190 3.853 3.661 4.194 0.004 1 0 "[ . 1 . 2]" 1
438 1 21 LYS H 1 21 LYS QE . . 4.490 4.453 4.098 4.517 0.027 6 0 "[ . 1 . 2]" 1
439 1 21 LYS H 1 21 LYS QG . . 3.500 2.510 2.427 2.614 . 0 0 "[ . 1 . 2]" 1
440 1 21 LYS H 1 22 TYR H . . 3.870 3.506 3.346 3.692 . 0 0 "[ . 1 . 2]" 1
441 1 21 LYS H 1 22 TYR HA . . 5.230 4.617 4.338 4.989 . 0 0 "[ . 1 . 2]" 1
442 1 21 LYS H 1 22 TYR QD . . 5.450 4.893 4.728 5.166 . 0 0 "[ . 1 . 2]" 1
443 1 21 LYS HA 1 21 LYS QE . . 4.660 4.582 4.404 4.669 0.009 10 0 "[ . 1 . 2]" 1
444 1 21 LYS HA 1 21 LYS QG . . 3.070 2.440 2.332 2.508 . 0 0 "[ . 1 . 2]" 1
445 1 21 LYS HA 1 22 TYR H . . 2.900 2.478 2.396 2.558 . 0 0 "[ . 1 . 2]" 1
446 1 21 LYS HA 1 22 TYR QD . . 5.270 4.828 4.575 4.976 . 0 0 "[ . 1 . 2]" 1
447 1 21 LYS HA 1 23 GLU H . . 4.140 3.855 3.605 4.044 . 0 0 "[ . 1 . 2]" 1
448 1 21 LYS HA 1 24 ARG H . . 4.910 4.091 3.880 4.228 . 0 0 "[ . 1 . 2]" 1
449 1 21 LYS HB2 1 22 TYR H . . 4.680 4.466 4.400 4.530 . 0 0 "[ . 1 . 2]" 1
450 1 21 LYS HB3 1 22 TYR H . . 4.420 4.393 4.323 4.428 0.008 14 0 "[ . 1 . 2]" 1
451 1 21 LYS QD 1 24 ARG HB3 . . 4.900 4.575 4.250 4.902 0.002 14 0 "[ . 1 . 2]" 1
452 1 21 LYS QD 1 24 ARG QG . . 4.160 3.108 2.577 3.558 . 0 0 "[ . 1 . 2]" 1
453 1 21 LYS QG 1 22 TYR H . . 4.630 4.438 4.353 4.504 . 0 0 "[ . 1 . 2]" 1
454 1 22 TYR H 1 22 TYR HB2 . . 3.680 2.631 2.516 2.755 . 0 0 "[ . 1 . 2]" 1
455 1 22 TYR H 1 22 TYR QB . . 3.180 2.566 2.467 2.668 . 0 0 "[ . 1 . 2]" 1
456 1 22 TYR H 1 22 TYR HB3 . . 3.680 3.567 3.549 3.597 . 0 0 "[ . 1 . 2]" 1
457 1 22 TYR H 1 22 TYR QD . . 3.190 2.977 2.746 3.073 . 0 0 "[ . 1 . 2]" 1
458 1 22 TYR H 1 22 TYR QE . . 4.390 4.291 4.101 4.404 0.014 18 0 "[ . 1 . 2]" 1
459 1 22 TYR H 1 23 GLU H . . 3.370 2.978 2.882 3.115 . 0 0 "[ . 1 . 2]" 1
460 1 22 TYR H 1 23 GLU QB . . 4.820 4.655 4.521 4.801 . 0 0 "[ . 1 . 2]" 1
461 1 22 TYR H 1 24 ARG H . . 4.550 4.470 4.359 4.555 0.005 14 0 "[ . 1 . 2]" 1
462 1 22 TYR H 1 24 ARG HB2 . . 5.710 5.489 5.329 5.648 . 0 0 "[ . 1 . 2]" 1
463 1 22 TYR H 1 25 ALA H . . 5.060 4.920 4.811 5.044 . 0 0 "[ . 1 . 2]" 1
464 1 22 TYR H 1 53 ILE MG . . 4.410 4.272 4.090 4.424 0.014 20 0 "[ . 1 . 2]" 1
465 1 22 TYR HA 1 22 TYR QD . . 3.580 2.391 2.183 2.582 . 0 0 "[ . 1 . 2]" 1
466 1 22 TYR HA 1 22 TYR QE . . 4.840 4.602 4.402 4.758 . 0 0 "[ . 1 . 2]" 1
467 1 22 TYR HA 1 25 ALA MB . . 3.790 2.684 2.529 2.804 . 0 0 "[ . 1 . 2]" 1
468 1 22 TYR HA 1 49 ALA MB . . 3.990 2.841 2.604 2.958 . 0 0 "[ . 1 . 2]" 1
469 1 22 TYR QB 1 23 GLU H . . 3.400 2.489 2.410 2.582 . 0 0 "[ . 1 . 2]" 1
470 1 22 TYR QB 1 49 ALA MB . . 3.820 2.232 2.164 2.364 . 0 0 "[ . 1 . 2]" 1
471 1 22 TYR QB 1 53 ILE MD . . 3.960 3.824 3.489 3.975 0.015 1 0 "[ . 1 . 2]" 1
472 1 22 TYR QB 1 53 ILE MG . . 3.240 2.170 2.087 2.302 . 0 0 "[ . 1 . 2]" 1
473 1 22 TYR HB2 1 23 GLU H . . 3.900 2.532 2.448 2.631 . 0 0 "[ . 1 . 2]" 1
474 1 22 TYR HB2 1 26 ILE MD . . 4.360 4.102 3.930 4.290 . 0 0 "[ . 1 . 2]" 1
475 1 22 TYR HB2 1 49 ALA MB . . 4.340 3.655 3.537 3.756 . 0 0 "[ . 1 . 2]" 1
476 1 22 TYR HB2 1 53 ILE MG . . 3.700 2.289 2.198 2.470 . 0 0 "[ . 1 . 2]" 1
477 1 22 TYR HB3 1 23 GLU H . . 3.900 3.665 3.554 3.772 . 0 0 "[ . 1 . 2]" 1
478 1 22 TYR HB3 1 26 ILE MD . . 4.360 3.577 3.205 3.902 . 0 0 "[ . 1 . 2]" 1
479 1 22 TYR HB3 1 49 ALA MB . . 4.340 2.253 2.181 2.391 . 0 0 "[ . 1 . 2]" 1
480 1 22 TYR HB3 1 53 ILE MG . . 3.700 2.706 2.508 2.848 . 0 0 "[ . 1 . 2]" 1
481 1 22 TYR QD 1 23 GLU H . . 4.240 4.184 3.988 4.263 0.023 2 0 "[ . 1 . 2]" 1
482 1 22 TYR QD 1 25 ALA H . . 5.730 5.537 5.293 5.736 0.006 19 0 "[ . 1 . 2]" 1
483 1 22 TYR QD 1 25 ALA MB . . 4.430 3.970 3.633 4.286 . 0 0 "[ . 1 . 2]" 1
484 1 22 TYR QD 1 48 MET ME . . 5.720 5.674 5.499 5.877 0.157 8 0 "[ . 1 . 2]" 1
485 1 22 TYR QD 1 49 ALA H . . 5.790 5.400 4.989 5.658 . 0 0 "[ . 1 . 2]" 1
486 1 22 TYR QD 1 49 ALA HA . . 4.130 3.182 2.780 3.507 . 0 0 "[ . 1 . 2]" 1
487 1 22 TYR QD 1 49 ALA MB . . 4.020 3.295 2.858 3.518 . 0 0 "[ . 1 . 2]" 1
488 1 22 TYR QD 1 53 ILE H . . 5.110 4.697 4.439 4.925 . 0 0 "[ . 1 . 2]" 1
489 1 22 TYR QD 1 53 ILE HB . . 5.150 5.089 4.889 5.172 0.022 14 0 "[ . 1 . 2]" 1
490 1 22 TYR QD 1 53 ILE HG12 . . 5.970 5.123 5.028 5.268 . 0 0 "[ . 1 . 2]" 1
491 1 22 TYR QD 1 53 ILE MG . . 3.420 2.431 2.273 2.531 . 0 0 "[ . 1 . 2]" 1
492 1 22 TYR QE 1 48 MET ME . . 5.280 5.226 4.982 5.300 0.020 5 0 "[ . 1 . 2]" 1
493 1 22 TYR QE 1 52 LYS HB3 . . 4.660 3.038 2.806 3.328 . 0 0 "[ . 1 . 2]" 1
494 1 22 TYR QE 1 52 LYS HD2 . . 5.280 4.315 4.169 4.554 . 0 0 "[ . 1 . 2]" 1
495 1 22 TYR QE 1 52 LYS HD3 . . 5.250 5.270 5.248 5.296 0.046 1 0 "[ . 1 . 2]" 1
496 1 22 TYR QE 1 52 LYS QE . . 5.030 3.463 3.215 3.780 . 0 0 "[ . 1 . 2]" 1
497 1 22 TYR QE 1 53 ILE MG . . 4.290 3.991 3.683 4.279 . 0 0 "[ . 1 . 2]" 1
498 1 23 GLU H 1 23 GLU HB2 . . 3.230 2.250 2.103 2.352 . 0 0 "[ . 1 . 2]" 1
499 1 23 GLU H 1 23 GLU HB3 . . 3.230 2.804 2.660 2.960 . 0 0 "[ . 1 . 2]" 1
500 1 23 GLU H 1 24 ARG H . . 3.160 2.843 2.659 2.948 . 0 0 "[ . 1 . 2]" 1
501 1 23 GLU H 1 24 ARG HA . . 5.520 5.512 5.371 5.560 0.040 14 0 "[ . 1 . 2]" 1
502 1 23 GLU H 1 24 ARG HB2 . . 5.110 5.028 4.931 5.126 0.016 16 0 "[ . 1 . 2]" 1
503 1 23 GLU H 1 24 ARG QG . . 4.830 4.632 4.140 4.836 0.006 18 0 "[ . 1 . 2]" 1
504 1 23 GLU H 1 25 ALA H . . 4.280 4.269 4.168 4.298 0.018 10 0 "[ . 1 . 2]" 1
505 1 23 GLU H 1 25 ALA MB . . 5.090 4.848 4.795 4.912 . 0 0 "[ . 1 . 2]" 1
506 1 23 GLU H 1 26 ILE H . . 5.060 4.773 4.702 4.861 . 0 0 "[ . 1 . 2]" 1
507 1 23 GLU H 1 26 ILE HB . . 5.540 5.270 5.068 5.544 0.004 6 0 "[ . 1 . 2]" 1
508 1 23 GLU H 1 26 ILE MD . . 4.420 4.078 3.873 4.248 . 0 0 "[ . 1 . 2]" 1
509 1 23 GLU H 1 26 ILE HG13 . . 5.220 5.005 4.888 5.177 . 0 0 "[ . 1 . 2]" 1
510 1 23 GLU H 1 49 ALA MB . . 4.460 4.506 4.490 4.530 0.070 8 0 "[ . 1 . 2]" 1
511 1 23 GLU H 1 53 ILE MG . . 3.900 3.594 3.312 3.912 0.012 18 0 "[ . 1 . 2]" 1
512 1 23 GLU HA 1 23 GLU HG2 . . 3.330 2.871 2.573 3.088 . 0 0 "[ . 1 . 2]" 1
513 1 23 GLU HA 1 23 GLU HG3 . . 3.330 2.416 2.277 2.560 . 0 0 "[ . 1 . 2]" 1
514 1 23 GLU HA 1 26 ILE H . . 3.890 3.431 3.177 3.731 . 0 0 "[ . 1 . 2]" 1
515 1 23 GLU HA 1 26 ILE HB . . 3.890 2.675 2.399 2.969 . 0 0 "[ . 1 . 2]" 1
516 1 23 GLU HA 1 26 ILE MD . . 3.280 2.140 2.086 2.183 . 0 0 "[ . 1 . 2]" 1
517 1 23 GLU HA 1 26 ILE MG . . 4.330 4.000 3.784 4.217 . 0 0 "[ . 1 . 2]" 1
518 1 23 GLU HA 1 53 ILE MD . . 4.350 3.880 3.513 4.345 . 0 0 "[ . 1 . 2]" 1
519 1 23 GLU QB 1 24 ARG H . . 3.220 2.553 2.435 2.735 . 0 0 "[ . 1 . 2]" 1
520 1 23 GLU HB2 1 24 ARG H . . 3.670 3.706 3.684 3.729 0.059 11 0 "[ . 1 . 2]" 1
521 1 23 GLU HB3 1 24 ARG H . . 3.670 2.602 2.469 2.820 . 0 0 "[ . 1 . 2]" 1
522 1 23 GLU QG 1 26 ILE MD . . 3.570 3.154 2.783 3.520 . 0 0 "[ . 1 . 2]" 1
523 1 23 GLU HG2 1 26 ILE MD . . 4.370 4.194 3.569 4.392 0.022 8 0 "[ . 1 . 2]" 1
524 1 23 GLU HG3 1 26 ILE MD . . 4.370 3.265 2.833 3.706 . 0 0 "[ . 1 . 2]" 1
525 1 24 ARG H 1 24 ARG HB2 . . 3.420 2.496 2.390 2.604 . 0 0 "[ . 1 . 2]" 1
526 1 24 ARG H 1 24 ARG HB3 . . 3.790 3.645 3.610 3.685 . 0 0 "[ . 1 . 2]" 1
527 1 24 ARG H 1 24 ARG HD2 . . 4.770 4.679 4.297 4.789 0.019 15 0 "[ . 1 . 2]" 1
528 1 24 ARG H 1 24 ARG HD3 . . 4.250 3.760 3.174 3.976 . 0 0 "[ . 1 . 2]" 1
529 1 24 ARG H 1 24 ARG HE . . 5.620 5.061 4.390 5.391 . 0 0 "[ . 1 . 2]" 1
530 1 24 ARG H 1 24 ARG QG . . 3.070 2.391 2.177 2.570 . 0 0 "[ . 1 . 2]" 1
531 1 24 ARG H 1 25 ALA H . . 3.250 2.750 2.579 2.918 . 0 0 "[ . 1 . 2]" 1
532 1 24 ARG H 1 26 ILE H . . 4.610 4.233 4.061 4.377 . 0 0 "[ . 1 . 2]" 1
533 1 24 ARG HA 1 24 ARG HD2 . . 3.830 2.937 2.700 3.079 . 0 0 "[ . 1 . 2]" 1
534 1 24 ARG HA 1 24 ARG HD3 . . 3.660 2.186 2.040 2.480 . 0 0 "[ . 1 . 2]" 1
535 1 24 ARG HA 1 24 ARG HE . . 6.000 4.728 4.477 5.027 . 0 0 "[ . 1 . 2]" 1
536 1 24 ARG HA 1 24 ARG QG . . 3.390 2.965 2.890 3.125 . 0 0 "[ . 1 . 2]" 1
537 1 24 ARG HA 1 27 GLU H . . 3.780 3.340 3.140 3.662 . 0 0 "[ . 1 . 2]" 1
538 1 24 ARG HA 1 27 GLU HB2 . . 3.780 2.993 2.679 3.523 . 0 0 "[ . 1 . 2]" 1
539 1 24 ARG HA 1 27 GLU HB3 . . 5.010 4.455 4.205 4.821 . 0 0 "[ . 1 . 2]" 1
540 1 24 ARG HA 1 27 GLU HG2 . . 4.440 4.074 3.782 4.458 0.018 16 0 "[ . 1 . 2]" 1
541 1 24 ARG HA 1 27 GLU HG3 . . 4.230 2.357 2.042 2.821 . 0 0 "[ . 1 . 2]" 1
542 1 24 ARG HB2 1 25 ALA H . . 3.730 2.857 2.737 2.990 . 0 0 "[ . 1 . 2]" 1
543 1 24 ARG HB3 1 24 ARG HD3 . . 4.180 3.156 3.001 3.277 . 0 0 "[ . 1 . 2]" 1
544 1 24 ARG HB3 1 25 ALA H . . 3.840 3.748 3.618 3.856 0.016 7 0 "[ . 1 . 2]" 1
545 1 25 ALA H 1 25 ALA MB . . 2.760 2.205 2.177 2.234 . 0 0 "[ . 1 . 2]" 1
546 1 25 ALA H 1 26 ILE H . . 3.590 2.728 2.649 2.781 . 0 0 "[ . 1 . 2]" 1
547 1 25 ALA H 1 27 GLU H . . 4.500 4.289 4.212 4.429 . 0 0 "[ . 1 . 2]" 1
548 1 25 ALA HA 1 26 ILE HA . . 5.150 4.901 4.849 4.944 . 0 0 "[ . 1 . 2]" 1
549 1 25 ALA HA 1 28 CYS HB2 . . 5.370 3.034 2.887 3.217 . 0 0 "[ . 1 . 2]" 1
550 1 25 ALA HA 1 28 CYS HB3 . . 5.800 4.664 4.500 4.822 . 0 0 "[ . 1 . 2]" 1
551 1 25 ALA HA 1 29 TYR H . . 4.230 4.019 3.914 4.102 . 0 0 "[ . 1 . 2]" 1
552 1 25 ALA MB 1 26 ILE H . . 3.450 2.458 2.398 2.552 . 0 0 "[ . 1 . 2]" 1
553 1 25 ALA MB 1 26 ILE MD . . 4.590 4.484 4.273 4.594 0.004 1 0 "[ . 1 . 2]" 1
554 1 25 ALA MB 1 27 GLU H . . 4.660 4.670 4.652 4.688 0.028 11 0 "[ . 1 . 2]" 1
555 1 25 ALA MB 1 28 CYS HB2 . . 5.360 4.330 4.144 4.448 . 0 0 "[ . 1 . 2]" 1
556 1 25 ALA MB 1 29 TYR H . . 4.640 4.517 4.432 4.605 . 0 0 "[ . 1 . 2]" 1
557 1 26 ILE H 1 26 ILE HB . . 3.340 2.578 2.467 2.657 . 0 0 "[ . 1 . 2]" 1
558 1 26 ILE H 1 26 ILE MD . . 3.520 3.491 3.369 3.538 0.018 1 0 "[ . 1 . 2]" 1
559 1 26 ILE H 1 26 ILE HG12 . . 3.830 3.584 3.485 3.699 . 0 0 "[ . 1 . 2]" 1
560 1 26 ILE H 1 26 ILE HG13 . . 3.830 2.191 2.115 2.269 . 0 0 "[ . 1 . 2]" 1
561 1 26 ILE H 1 26 ILE MG . . 3.920 3.858 3.816 3.887 . 0 0 "[ . 1 . 2]" 1
562 1 26 ILE H 1 27 GLU H . . 3.520 2.927 2.809 3.023 . 0 0 "[ . 1 . 2]" 1
563 1 26 ILE H 1 27 GLU HG2 . . 5.450 5.454 5.145 5.504 0.054 17 0 "[ . 1 . 2]" 1
564 1 26 ILE H 1 27 GLU HG3 . . 4.890 4.714 4.374 4.929 0.039 15 0 "[ . 1 . 2]" 1
565 1 26 ILE H 1 46 ARG HA . . 5.230 5.104 4.912 5.199 . 0 0 "[ . 1 . 2]" 1
566 1 26 ILE H 1 49 ALA MB . . 4.060 3.197 2.999 3.331 . 0 0 "[ . 1 . 2]" 1
567 1 26 ILE HA 1 26 ILE MD . . 3.950 3.887 3.854 3.908 . 0 0 "[ . 1 . 2]" 1
568 1 26 ILE HA 1 26 ILE HG12 . . 3.990 2.608 2.554 2.695 . 0 0 "[ . 1 . 2]" 1
569 1 26 ILE HA 1 26 ILE MG . . 3.490 2.514 2.472 2.587 . 0 0 "[ . 1 . 2]" 1
570 1 26 ILE HA 1 29 TYR H . . 4.910 3.703 3.599 3.780 . 0 0 "[ . 1 . 2]" 1
571 1 26 ILE HA 1 29 TYR HB2 . . 4.720 3.097 3.028 3.155 . 0 0 "[ . 1 . 2]" 1
572 1 26 ILE HA 1 30 THR H . . 4.520 3.916 3.809 4.042 . 0 0 "[ . 1 . 2]" 1
573 1 26 ILE HA 1 46 ARG HA . . 4.390 3.299 3.170 3.416 . 0 0 "[ . 1 . 2]" 1
574 1 26 ILE HA 1 46 ARG HB2 . . 4.790 4.071 3.914 4.212 . 0 0 "[ . 1 . 2]" 1
575 1 26 ILE HA 1 46 ARG QD . . 5.220 3.157 3.009 3.279 . 0 0 "[ . 1 . 2]" 1
576 1 26 ILE HA 1 46 ARG HG2 . . 4.550 3.734 3.539 3.853 . 0 0 "[ . 1 . 2]" 1
577 1 26 ILE HA 1 49 ALA MB . . 4.240 3.620 3.467 3.779 . 0 0 "[ . 1 . 2]" 1
578 1 26 ILE HA 1 50 TYR QE . . 4.910 4.922 4.910 4.937 0.027 15 0 "[ . 1 . 2]" 1
579 1 26 ILE HB 1 26 ILE MD . . 3.140 2.316 2.279 2.347 . 0 0 "[ . 1 . 2]" 1
580 1 26 ILE HB 1 27 GLU H . . 3.360 2.604 2.552 2.679 . 0 0 "[ . 1 . 2]" 1
581 1 26 ILE MD 1 26 ILE MG . . 2.940 2.104 2.096 2.130 . 0 0 "[ . 1 . 2]" 1
582 1 26 ILE MD 1 27 GLU H . . 4.480 4.506 4.486 4.517 0.037 5 0 "[ . 1 . 2]" 1
583 1 26 ILE MD 1 46 ARG HA . . 4.900 4.843 4.679 4.911 0.011 8 0 "[ . 1 . 2]" 1
584 1 26 ILE MD 1 49 ALA H . . 5.110 4.771 4.519 4.972 . 0 0 "[ . 1 . 2]" 1
585 1 26 ILE MD 1 49 ALA MB . . 3.370 2.484 2.250 2.675 . 0 0 "[ . 1 . 2]" 1
586 1 26 ILE MD 1 50 TYR H . . 4.200 3.111 2.811 3.233 . 0 0 "[ . 1 . 2]" 1
587 1 26 ILE MD 1 50 TYR HA . . 3.940 2.747 2.512 2.941 . 0 0 "[ . 1 . 2]" 1
588 1 26 ILE MD 1 50 TYR HB2 . . 4.400 4.199 4.034 4.333 . 0 0 "[ . 1 . 2]" 1
589 1 26 ILE MD 1 50 TYR QD . . 3.560 3.146 3.015 3.314 . 0 0 "[ . 1 . 2]" 1
590 1 26 ILE MD 1 50 TYR QE . . 3.810 3.174 3.002 3.466 . 0 0 "[ . 1 . 2]" 1
591 1 26 ILE MD 1 53 ILE H . . 5.410 4.673 4.370 4.998 . 0 0 "[ . 1 . 2]" 1
592 1 26 ILE MD 1 53 ILE MD . . 2.970 2.399 2.179 2.714 . 0 0 "[ . 1 . 2]" 1
593 1 26 ILE MD 1 53 ILE HG12 . . 3.800 3.080 2.764 3.465 . 0 0 "[ . 1 . 2]" 1
594 1 26 ILE MD 1 53 ILE MG . . 4.080 3.425 3.150 3.768 . 0 0 "[ . 1 . 2]" 1
595 1 26 ILE HG12 1 26 ILE MG . . 3.280 2.299 2.240 2.346 . 0 0 "[ . 1 . 2]" 1
596 1 26 ILE HG13 1 26 ILE MG . . 3.440 3.189 3.157 3.212 . 0 0 "[ . 1 . 2]" 1
597 1 26 ILE HG13 1 27 GLU H . . 4.510 4.395 4.319 4.481 . 0 0 "[ . 1 . 2]" 1
598 1 26 ILE HG13 1 49 ALA MB . . 4.000 2.017 1.984 2.059 . 0 0 "[ . 1 . 2]" 1
599 1 26 ILE MG 1 27 GLU H . . 3.630 3.317 3.232 3.389 . 0 0 "[ . 1 . 2]" 1
600 1 26 ILE MG 1 27 GLU HA . . 3.680 3.432 3.306 3.505 . 0 0 "[ . 1 . 2]" 1
601 1 26 ILE MG 1 27 GLU HG2 . . 4.050 3.936 3.472 4.069 0.019 4 0 "[ . 1 . 2]" 1
602 1 26 ILE MG 1 27 GLU HG3 . . 4.760 4.662 4.407 4.781 0.021 17 0 "[ . 1 . 2]" 1
603 1 26 ILE MG 1 29 TYR H . . 5.060 5.060 4.997 5.080 0.020 1 0 "[ . 1 . 2]" 1
604 1 26 ILE MG 1 30 THR H . . 4.170 4.060 3.975 4.173 0.003 13 0 "[ . 1 . 2]" 1
605 1 26 ILE MG 1 30 THR HB . . 4.490 4.223 4.082 4.471 . 0 0 "[ . 1 . 2]" 1
606 1 26 ILE MG 1 30 THR HG1 . . 3.620 2.605 2.507 2.805 . 0 0 "[ . 1 . 2]" 1
607 1 26 ILE MG 1 30 THR MG . . 4.500 4.148 4.028 4.344 . 0 0 "[ . 1 . 2]" 1
608 1 26 ILE MG 1 46 ARG HA . . 4.290 4.276 4.196 4.313 0.023 17 0 "[ . 1 . 2]" 1
609 1 26 ILE MG 1 46 ARG HB2 . . 4.850 4.604 4.509 4.701 . 0 0 "[ . 1 . 2]" 1
610 1 26 ILE MG 1 46 ARG QD . . 3.740 2.158 2.088 2.234 . 0 0 "[ . 1 . 2]" 1
611 1 26 ILE MG 1 46 ARG HE . . 4.550 4.312 4.225 4.418 . 0 0 "[ . 1 . 2]" 1
612 1 26 ILE MG 1 49 ALA MB . . 3.970 3.989 3.975 4.006 0.036 4 0 "[ . 1 . 2]" 1
613 1 26 ILE MG 1 50 TYR H . . 5.390 4.810 4.632 4.955 . 0 0 "[ . 1 . 2]" 1
614 1 26 ILE MG 1 50 TYR HA . . 5.320 5.108 4.837 5.331 0.011 13 0 "[ . 1 . 2]" 1
615 1 26 ILE MG 1 50 TYR QE . . 3.510 2.591 2.380 2.745 . 0 0 "[ . 1 . 2]" 1
616 1 27 GLU H 1 27 GLU HB2 . . 2.970 2.755 2.634 2.918 . 0 0 "[ . 1 . 2]" 1
617 1 27 GLU H 1 27 GLU HG2 . . 2.940 2.761 2.495 2.906 . 0 0 "[ . 1 . 2]" 1
618 1 27 GLU H 1 27 GLU HG3 . . 3.210 2.355 2.015 2.563 . 0 0 "[ . 1 . 2]" 1
619 1 27 GLU H 1 28 CYS H . . 3.340 2.944 2.887 2.993 . 0 0 "[ . 1 . 2]" 1
620 1 27 GLU H 1 28 CYS HB2 . . 5.310 5.201 5.106 5.319 0.009 19 0 "[ . 1 . 2]" 1
621 1 27 GLU H 1 29 TYR H . . 5.050 4.565 4.489 4.652 . 0 0 "[ . 1 . 2]" 1
622 1 27 GLU H 1 30 THR HG1 . . 4.800 4.389 4.256 4.493 . 0 0 "[ . 1 . 2]" 1
623 1 27 GLU HA 1 27 GLU HG2 . . 2.940 2.546 2.425 2.700 . 0 0 "[ . 1 . 2]" 1
624 1 27 GLU HA 1 27 GLU HG3 . . 3.620 3.523 3.423 3.607 . 0 0 "[ . 1 . 2]" 1
625 1 27 GLU HA 1 29 TYR H . . 5.140 4.905 4.809 5.015 . 0 0 "[ . 1 . 2]" 1
626 1 27 GLU HA 1 30 THR H . . 3.970 3.796 3.600 3.989 0.019 19 0 "[ . 1 . 2]" 1
627 1 27 GLU HA 1 30 THR HB . . 3.380 2.917 2.687 3.097 . 0 0 "[ . 1 . 2]" 1
628 1 27 GLU HA 1 30 THR MG . . 4.120 4.062 3.890 4.135 0.015 2 0 "[ . 1 . 2]" 1
629 1 27 GLU HB2 1 28 CYS H . . 3.620 2.485 2.385 2.583 . 0 0 "[ . 1 . 2]" 1
630 1 27 GLU HB2 1 28 CYS HA . . 4.250 4.190 4.009 4.283 0.033 16 0 "[ . 1 . 2]" 1
631 1 27 GLU HB2 1 29 TYR H . . 5.190 5.200 5.146 5.231 0.041 9 0 "[ . 1 . 2]" 1
632 1 27 GLU HB2 1 30 THR H . . 5.850 5.646 5.458 5.817 . 0 0 "[ . 1 . 2]" 1
633 1 27 GLU HB3 1 28 CYS H . . 3.650 3.634 3.564 3.671 0.021 19 0 "[ . 1 . 2]" 1
634 1 27 GLU HB3 1 29 TYR H . . 6.000 5.950 5.881 6.009 0.009 4 0 "[ . 1 . 2]" 1
635 1 28 CYS H 1 28 CYS HB2 . . 3.650 2.572 2.497 2.685 . 0 0 "[ . 1 . 2]" 1
636 1 28 CYS H 1 28 CYS HB3 . . 3.710 3.606 3.565 3.658 . 0 0 "[ . 1 . 2]" 1
637 1 28 CYS H 1 29 TYR H . . 3.430 2.841 2.713 2.922 . 0 0 "[ . 1 . 2]" 1
638 1 28 CYS H 1 30 THR H . . 4.580 4.158 4.071 4.256 . 0 0 "[ . 1 . 2]" 1
639 1 28 CYS HA 1 30 THR H . . 4.530 4.427 4.379 4.504 . 0 0 "[ . 1 . 2]" 1
640 1 28 CYS HA 1 31 ARG H . . 4.360 3.543 3.453 3.684 . 0 0 "[ . 1 . 2]" 1
641 1 28 CYS HA 1 31 ARG HB2 . . 4.230 3.206 2.977 3.417 . 0 0 "[ . 1 . 2]" 1
642 1 28 CYS HA 1 31 ARG HD2 . . 4.990 4.871 4.486 5.018 0.028 10 0 "[ . 1 . 2]" 1
643 1 28 CYS HA 1 31 ARG HD3 . . 4.740 4.649 4.440 4.768 0.028 17 0 "[ . 1 . 2]" 1
644 1 28 CYS HA 1 31 ARG HE . . 4.290 3.196 2.363 3.802 . 0 0 "[ . 1 . 2]" 1
645 1 28 CYS HA 1 31 ARG HG3 . . 4.130 3.401 3.003 3.757 . 0 0 "[ . 1 . 2]" 1
646 1 28 CYS HB2 1 29 TYR H . . 3.640 2.451 2.370 2.551 . 0 0 "[ . 1 . 2]" 1
647 1 28 CYS HB3 1 29 TYR H . . 3.540 3.556 3.524 3.586 0.046 5 0 "[ . 1 . 2]" 1
648 1 28 CYS HB3 1 30 THR H . . 6.000 5.578 5.518 5.614 . 0 0 "[ . 1 . 2]" 1
649 1 29 TYR H 1 29 TYR HB2 . . 3.550 2.666 2.616 2.735 . 0 0 "[ . 1 . 2]" 1
650 1 29 TYR H 1 29 TYR HB3 . . 3.950 3.657 3.641 3.674 . 0 0 "[ . 1 . 2]" 1
651 1 29 TYR H 1 30 THR H . . 3.550 2.784 2.752 2.844 . 0 0 "[ . 1 . 2]" 1
652 1 29 TYR H 1 30 THR HG1 . . 5.520 4.440 4.360 4.527 . 0 0 "[ . 1 . 2]" 1
653 1 29 TYR H 1 31 ARG H . . 4.460 4.390 4.351 4.450 . 0 0 "[ . 1 . 2]" 1
654 1 29 TYR H 1 42 LEU MD2 . . 5.370 5.116 5.000 5.238 . 0 0 "[ . 1 . 2]" 1
655 1 29 TYR H 1 46 ARG HB2 . . 4.990 4.995 4.944 5.015 0.025 19 0 "[ . 1 . 2]" 1
656 1 29 TYR HA 1 32 GLY H . . 4.200 3.269 3.162 3.333 . 0 0 "[ . 1 . 2]" 1
657 1 29 TYR HA 1 32 GLY HA3 . . 4.350 3.728 3.574 3.831 . 0 0 "[ . 1 . 2]" 1
658 1 29 TYR HA 1 42 LEU HB3 . . 4.510 4.348 4.186 4.502 . 0 0 "[ . 1 . 2]" 1
659 1 29 TYR HA 1 42 LEU MD2 . . 3.670 2.714 2.599 2.804 . 0 0 "[ . 1 . 2]" 1
660 1 29 TYR HB2 1 30 THR H . . 4.030 2.768 2.717 2.820 . 0 0 "[ . 1 . 2]" 1
661 1 29 TYR HB2 1 30 THR HA . . 5.720 4.350 4.307 4.386 . 0 0 "[ . 1 . 2]" 1
662 1 29 TYR HB2 1 31 ARG H . . 5.220 5.239 5.224 5.254 0.034 12 0 "[ . 1 . 2]" 1
663 1 29 TYR HB2 1 33 ILE MD . . 4.220 3.328 3.211 3.422 . 0 0 "[ . 1 . 2]" 1
664 1 29 TYR HB2 1 43 PRO HA . . 4.830 4.858 4.848 4.869 0.039 5 0 "[ . 1 . 2]" 1
665 1 29 TYR HB2 1 46 ARG H . . 4.520 4.198 4.125 4.354 . 0 0 "[ . 1 . 2]" 1
666 1 29 TYR HB2 1 46 ARG HA . . 4.600 3.551 3.433 3.710 . 0 0 "[ . 1 . 2]" 1
667 1 29 TYR HB3 1 30 THR H . . 4.370 3.841 3.790 3.894 . 0 0 "[ . 1 . 2]" 1
668 1 29 TYR HB3 1 32 GLY H . . 5.100 5.103 5.016 5.124 0.024 18 0 "[ . 1 . 2]" 1
669 1 29 TYR HB3 1 42 LEU MD2 . . 4.260 3.254 3.090 3.419 . 0 0 "[ . 1 . 2]" 1
670 1 30 THR H 1 30 THR HB . . 3.300 2.562 2.477 2.634 . 0 0 "[ . 1 . 2]" 1
671 1 30 THR H 1 30 THR HG1 . . 3.180 2.146 2.089 2.228 . 0 0 "[ . 1 . 2]" 1
672 1 30 THR H 1 30 THR MG . . 3.880 3.795 3.754 3.820 . 0 0 "[ . 1 . 2]" 1
673 1 30 THR H 1 31 ARG H . . 3.380 2.825 2.778 2.864 . 0 0 "[ . 1 . 2]" 1
674 1 30 THR H 1 31 ARG HG3 . . 5.020 4.755 4.606 4.951 . 0 0 "[ . 1 . 2]" 1
675 1 30 THR H 1 33 ILE MD . . 4.660 3.813 3.748 3.903 . 0 0 "[ . 1 . 2]" 1
676 1 30 THR H 1 33 ILE QG . . 5.390 4.974 4.882 5.049 . 0 0 "[ . 1 . 2]" 1
677 1 30 THR HA 1 30 THR MG . . 3.090 2.391 2.349 2.433 . 0 0 "[ . 1 . 2]" 1
678 1 30 THR HA 1 33 ILE H . . 4.200 3.500 3.360 3.622 . 0 0 "[ . 1 . 2]" 1
679 1 30 THR HA 1 33 ILE HB . . 4.110 2.729 2.588 2.970 . 0 0 "[ . 1 . 2]" 1
680 1 30 THR HA 1 33 ILE MD . . 3.450 2.238 2.166 2.350 . 0 0 "[ . 1 . 2]" 1
681 1 30 THR HA 1 33 ILE MG . . 4.530 4.101 3.986 4.343 . 0 0 "[ . 1 . 2]" 1
682 1 30 THR HA 1 34 ALA H . . 4.620 4.008 3.818 4.238 . 0 0 "[ . 1 . 2]" 1
683 1 30 THR HA 1 46 ARG QD . . 4.690 2.906 2.785 3.015 . 0 0 "[ . 1 . 2]" 1
684 1 30 THR HB 1 31 ARG H . . 3.470 2.662 2.574 2.727 . 0 0 "[ . 1 . 2]" 1
685 1 30 THR HB 1 32 GLY H . . 5.240 5.138 5.052 5.213 . 0 0 "[ . 1 . 2]" 1
686 1 30 THR HG1 1 30 THR MG . . 3.260 2.974 2.926 3.013 . 0 0 "[ . 1 . 2]" 1
687 1 30 THR HG1 1 31 ARG H . . 5.230 4.139 4.020 4.218 . 0 0 "[ . 1 . 2]" 1
688 1 30 THR MG 1 31 ARG H . . 3.700 3.517 3.442 3.573 . 0 0 "[ . 1 . 2]" 1
689 1 30 THR MG 1 31 ARG HA . . 3.950 3.645 3.451 3.701 . 0 0 "[ . 1 . 2]" 1
690 1 30 THR MG 1 31 ARG HG3 . . 4.340 4.242 3.884 4.353 0.013 13 0 "[ . 1 . 2]" 1
691 1 30 THR MG 1 32 GLY H . . 5.140 5.149 5.141 5.158 0.018 3 0 "[ . 1 . 2]" 1
692 1 30 THR MG 1 33 ILE H . . 5.270 4.910 4.812 5.029 . 0 0 "[ . 1 . 2]" 1
693 1 30 THR MG 1 33 ILE HB . . 4.520 3.915 3.791 4.146 . 0 0 "[ . 1 . 2]" 1
694 1 30 THR MG 1 33 ILE MD . . 4.110 3.785 3.673 3.913 . 0 0 "[ . 1 . 2]" 1
695 1 30 THR MG 1 34 ALA H . . 4.390 4.222 4.064 4.412 0.022 3 0 "[ . 1 . 2]" 1
696 1 30 THR MG 1 46 ARG HD2 . . 4.590 4.067 3.967 4.203 . 0 0 "[ . 1 . 2]" 1
697 1 30 THR MG 1 46 ARG QD . . 3.920 3.720 3.644 3.827 . 0 0 "[ . 1 . 2]" 1
698 1 30 THR MG 1 46 ARG HD3 . . 4.590 4.309 4.210 4.415 . 0 0 "[ . 1 . 2]" 1
699 1 31 ARG H 1 31 ARG HB2 . . 3.250 2.511 2.413 2.560 . 0 0 "[ . 1 . 2]" 1
700 1 31 ARG H 1 31 ARG HD3 . . 5.140 4.865 4.679 5.006 . 0 0 "[ . 1 . 2]" 1
701 1 31 ARG H 1 31 ARG HE . . 4.900 4.655 3.873 4.912 0.012 6 0 "[ . 1 . 2]" 1
702 1 31 ARG H 1 31 ARG HG2 . . 3.770 3.436 3.214 3.650 . 0 0 "[ . 1 . 2]" 1
703 1 31 ARG H 1 31 ARG HG3 . . 3.580 2.403 2.277 2.537 . 0 0 "[ . 1 . 2]" 1
704 1 31 ARG H 1 32 GLY H . . 3.430 2.743 2.634 2.845 . 0 0 "[ . 1 . 2]" 1
705 1 31 ARG H 1 32 GLY HA3 . . 5.120 5.024 4.890 5.118 . 0 0 "[ . 1 . 2]" 1
706 1 31 ARG H 1 33 ILE H . . 5.120 4.410 4.312 4.485 . 0 0 "[ . 1 . 2]" 1
707 1 31 ARG H 1 34 ALA H . . 5.030 4.854 4.727 4.989 . 0 0 "[ . 1 . 2]" 1
708 1 31 ARG HA 1 31 ARG HD2 . . 4.500 4.150 4.017 4.301 . 0 0 "[ . 1 . 2]" 1
709 1 31 ARG HA 1 31 ARG HD3 . . 4.690 4.689 4.610 4.715 0.025 19 0 "[ . 1 . 2]" 1
710 1 31 ARG HA 1 33 ILE H . . 5.190 4.808 4.704 4.938 . 0 0 "[ . 1 . 2]" 1
711 1 31 ARG HA 1 34 ALA H . . 4.130 3.716 3.510 3.941 . 0 0 "[ . 1 . 2]" 1
712 1 31 ARG HA 1 34 ALA MB . . 3.090 2.698 2.478 2.927 . 0 0 "[ . 1 . 2]" 1
713 1 31 ARG HA 1 35 ALA H . . 4.300 4.231 4.072 4.322 0.022 10 0 "[ . 1 . 2]" 1
714 1 31 ARG HB2 1 31 ARG HE . . 4.090 2.624 2.179 2.947 . 0 0 "[ . 1 . 2]" 1
715 1 31 ARG HB2 1 32 GLY H . . 3.790 2.723 2.632 2.877 . 0 0 "[ . 1 . 2]" 1
716 1 31 ARG HB3 1 31 ARG HD2 . . 3.950 2.352 2.274 2.443 . 0 0 "[ . 1 . 2]" 1
717 1 31 ARG HB3 1 31 ARG HD3 . . 4.150 3.624 3.581 3.685 . 0 0 "[ . 1 . 2]" 1
718 1 31 ARG HB3 1 31 ARG HE . . 4.090 3.142 2.813 3.634 . 0 0 "[ . 1 . 2]" 1
719 1 31 ARG HB3 1 32 GLY H . . 4.110 3.636 3.572 3.712 . 0 0 "[ . 1 . 2]" 1
720 1 31 ARG HB3 1 32 GLY HA2 . . 6.000 4.529 4.406 4.605 . 0 0 "[ . 1 . 2]" 1
721 1 31 ARG HB3 1 35 ALA H . . 5.350 5.168 4.949 5.279 . 0 0 "[ . 1 . 2]" 1
722 1 31 ARG HB3 1 35 ALA MB . . 5.130 4.055 3.895 4.242 . 0 0 "[ . 1 . 2]" 1
723 1 31 ARG HD2 1 32 GLY H . . 5.640 5.671 5.599 5.704 0.064 18 0 "[ . 1 . 2]" 1
724 1 31 ARG HE 1 31 ARG HG3 . . 4.140 3.354 2.893 3.525 . 0 0 "[ . 1 . 2]" 1
725 1 32 GLY H 1 33 ILE H . . 3.560 2.821 2.718 2.870 . 0 0 "[ . 1 . 2]" 1
726 1 32 GLY H 1 34 ALA H . . 4.480 4.047 3.981 4.133 . 0 0 "[ . 1 . 2]" 1
727 1 32 GLY H 1 35 ALA H . . 5.150 4.570 4.500 4.627 . 0 0 "[ . 1 . 2]" 1
728 1 32 GLY H 1 35 ALA MB . . 4.390 4.413 4.385 4.433 0.043 18 0 "[ . 1 . 2]" 1
729 1 32 GLY H 1 42 LEU MD1 . . 4.150 4.179 4.154 4.215 0.065 19 0 "[ . 1 . 2]" 1
730 1 32 GLY HA2 1 34 ALA H . . 4.940 4.281 4.209 4.346 . 0 0 "[ . 1 . 2]" 1
731 1 32 GLY HA2 1 35 ALA H . . 4.420 3.223 3.111 3.362 . 0 0 "[ . 1 . 2]" 1
732 1 32 GLY HA2 1 35 ALA MB . . 4.780 2.328 2.247 2.431 . 0 0 "[ . 1 . 2]" 1
733 1 32 GLY HA2 1 42 LEU MD1 . . 3.370 3.208 3.103 3.277 . 0 0 "[ . 1 . 2]" 1
734 1 32 GLY HA2 1 42 LEU MD2 . . 4.690 3.896 3.690 4.044 . 0 0 "[ . 1 . 2]" 1
735 1 32 GLY HA3 1 35 ALA H . . 4.680 4.383 4.291 4.493 . 0 0 "[ . 1 . 2]" 1
736 1 32 GLY HA3 1 35 ALA MB . . 4.450 3.879 3.763 3.989 . 0 0 "[ . 1 . 2]" 1
737 1 32 GLY HA3 1 42 LEU MD1 . . 3.430 2.419 2.366 2.474 . 0 0 "[ . 1 . 2]" 1
738 1 32 GLY HA3 1 42 LEU MD2 . . 3.550 2.558 2.387 2.693 . 0 0 "[ . 1 . 2]" 1
739 1 33 ILE H 1 33 ILE HB . . 3.420 2.500 2.450 2.560 . 0 0 "[ . 1 . 2]" 1
740 1 33 ILE H 1 33 ILE MD . . 3.660 3.222 3.178 3.265 . 0 0 "[ . 1 . 2]" 1
741 1 33 ILE H 1 33 ILE QG . . 3.580 2.126 2.077 2.173 . 0 0 "[ . 1 . 2]" 1
742 1 33 ILE H 1 33 ILE MG . . 3.800 3.794 3.764 3.804 0.004 19 0 "[ . 1 . 2]" 1
743 1 33 ILE H 1 34 ALA H . . 3.420 2.679 2.633 2.749 . 0 0 "[ . 1 . 2]" 1
744 1 33 ILE H 1 34 ALA MB . . 4.550 4.372 4.321 4.434 . 0 0 "[ . 1 . 2]" 1
745 1 33 ILE H 1 35 ALA H . . 4.460 4.109 4.047 4.194 . 0 0 "[ . 1 . 2]" 1
746 1 33 ILE H 1 36 ASP H . . 5.150 4.882 4.807 5.000 . 0 0 "[ . 1 . 2]" 1
747 1 33 ILE H 1 42 LEU HB2 . . 4.840 4.855 4.846 4.862 0.022 2 0 "[ . 1 . 2]" 1
748 1 33 ILE H 1 42 LEU MD1 . . 3.850 2.868 2.787 2.924 . 0 0 "[ . 1 . 2]" 1
749 1 33 ILE HA 1 33 ILE MD . . 3.980 3.940 3.912 3.969 . 0 0 "[ . 1 . 2]" 1
750 1 33 ILE HA 1 33 ILE QG . . 3.540 2.550 2.507 2.584 . 0 0 "[ . 1 . 2]" 1
751 1 33 ILE HA 1 33 ILE MG . . 3.250 2.461 2.399 2.481 . 0 0 "[ . 1 . 2]" 1
752 1 33 ILE HA 1 35 ALA H . . 5.060 4.376 4.202 4.486 . 0 0 "[ . 1 . 2]" 1
753 1 33 ILE HA 1 36 ASP H . . 3.930 3.765 3.615 3.869 . 0 0 "[ . 1 . 2]" 1
754 1 33 ILE HA 1 37 GLY H . . 5.230 2.743 2.573 3.000 . 0 0 "[ . 1 . 2]" 1
755 1 33 ILE HA 1 37 GLY HA2 . . 4.880 2.882 2.421 3.217 . 0 0 "[ . 1 . 2]" 1
756 1 33 ILE HA 1 42 LEU HB3 . . 4.050 3.592 3.411 3.707 . 0 0 "[ . 1 . 2]" 1
757 1 33 ILE HA 1 42 LEU MD1 . . 3.610 2.650 2.547 2.767 . 0 0 "[ . 1 . 2]" 1
758 1 33 ILE HB 1 33 ILE MD . . 3.230 2.198 2.171 2.219 . 0 0 "[ . 1 . 2]" 1
759 1 33 ILE HB 1 34 ALA H . . 3.440 2.734 2.695 2.766 . 0 0 "[ . 1 . 2]" 1
760 1 33 ILE HB 1 34 ALA MB . . 4.350 3.886 3.780 4.013 . 0 0 "[ . 1 . 2]" 1
761 1 33 ILE HB 1 35 ALA H . . 5.230 5.084 5.013 5.119 . 0 0 "[ . 1 . 2]" 1
762 1 33 ILE MD 1 33 ILE MG . . 2.850 2.145 2.125 2.168 . 0 0 "[ . 1 . 2]" 1
763 1 33 ILE MD 1 34 ALA H . . 4.360 4.406 4.385 4.426 0.066 3 0 "[ . 1 . 2]" 1
764 1 33 ILE MD 1 42 LEU H . . 5.780 5.512 5.374 5.589 . 0 0 "[ . 1 . 2]" 1
765 1 33 ILE MD 1 42 LEU HB2 . . 5.260 4.307 4.191 4.406 . 0 0 "[ . 1 . 2]" 1
766 1 33 ILE MD 1 42 LEU HB3 . . 3.540 3.273 3.136 3.367 . 0 0 "[ . 1 . 2]" 1
767 1 33 ILE MD 1 42 LEU MD2 . . 4.400 4.082 3.944 4.182 . 0 0 "[ . 1 . 2]" 1
768 1 33 ILE MD 1 43 PRO HA . . 3.530 2.150 2.107 2.181 . 0 0 "[ . 1 . 2]" 1
769 1 33 ILE MD 1 43 PRO HB2 . . 3.680 3.697 3.683 3.716 0.036 13 0 "[ . 1 . 2]" 1
770 1 33 ILE MD 1 43 PRO HB3 . . 4.170 2.431 2.402 2.473 . 0 0 "[ . 1 . 2]" 1
771 1 33 ILE MD 1 43 PRO HD2 . . 4.730 4.535 4.432 4.592 . 0 0 "[ . 1 . 2]" 1
772 1 33 ILE MD 1 43 PRO HD3 . . 3.850 3.423 3.335 3.481 . 0 0 "[ . 1 . 2]" 1
773 1 33 ILE MD 1 44 ALA H . . 4.980 4.947 4.870 4.992 0.012 20 0 "[ . 1 . 2]" 1
774 1 33 ILE MD 1 46 ARG H . . 5.130 3.997 3.881 4.061 . 0 0 "[ . 1 . 2]" 1
775 1 33 ILE MD 1 46 ARG HB3 . . 4.270 2.910 2.824 3.001 . 0 0 "[ . 1 . 2]" 1
776 1 33 ILE MD 1 46 ARG QD . . 4.100 2.181 2.096 2.347 . 0 0 "[ . 1 . 2]" 1
777 1 33 ILE MD 1 46 ARG HE . . 4.500 2.590 2.345 2.776 . 0 0 "[ . 1 . 2]" 1
778 1 33 ILE MD 1 50 TYR QE . . 5.530 4.962 4.738 5.443 . 0 0 "[ . 1 . 2]" 1
779 1 33 ILE QG 1 33 ILE MG . . 3.270 2.263 2.239 2.295 . 0 0 "[ . 1 . 2]" 1
780 1 33 ILE QG 1 42 LEU HB3 . . 5.180 2.004 1.967 2.034 . 0 0 "[ . 1 . 2]" 1
781 1 33 ILE QG 1 43 PRO HA . . 4.710 3.266 3.212 3.340 . 0 0 "[ . 1 . 2]" 1
782 1 33 ILE QG 1 43 PRO HD3 . . 4.920 2.100 2.062 2.131 . 0 0 "[ . 1 . 2]" 1
783 1 33 ILE QG 1 43 PRO QG . . 5.060 3.524 3.457 3.616 . 0 0 "[ . 1 . 2]" 1
784 1 33 ILE QG 1 44 ALA H . . 5.030 5.101 5.075 5.122 0.092 1 0 "[ . 1 . 2]" 1
785 1 33 ILE MG 1 34 ALA H . . 3.700 3.568 3.497 3.615 . 0 0 "[ . 1 . 2]" 1
786 1 33 ILE MG 1 34 ALA HA . . 3.710 3.715 3.663 3.745 0.035 13 0 "[ . 1 . 2]" 1
787 1 33 ILE MG 1 34 ALA MB . . 3.980 3.976 3.925 3.992 0.012 3 0 "[ . 1 . 2]" 1
788 1 33 ILE MG 1 35 ALA H . . 5.170 5.171 5.087 5.213 0.043 16 0 "[ . 1 . 2]" 1
789 1 33 ILE MG 1 36 ASP H . . 5.180 5.111 4.922 5.183 0.003 20 0 "[ . 1 . 2]" 1
790 1 33 ILE MG 1 37 GLY H . . 4.660 4.100 3.859 4.362 . 0 0 "[ . 1 . 2]" 1
791 1 33 ILE MG 1 37 GLY HA2 . . 4.650 2.787 2.459 3.044 . 0 0 "[ . 1 . 2]" 1
792 1 33 ILE MG 1 37 GLY HA3 . . 4.990 3.957 3.416 4.291 . 0 0 "[ . 1 . 2]" 1
793 1 33 ILE MG 1 43 PRO HA . . 4.390 4.413 4.388 4.430 0.040 13 0 "[ . 1 . 2]" 1
794 1 33 ILE MG 1 43 PRO HD2 . . 5.060 4.962 4.771 5.064 0.004 12 0 "[ . 1 . 2]" 1
795 1 33 ILE MG 1 43 PRO HD3 . . 4.350 3.483 3.300 3.594 . 0 0 "[ . 1 . 2]" 1
796 1 33 ILE MG 1 43 PRO QG . . 3.640 3.801 3.678 3.916 0.276 5 0 "[ . 1 . 2]" 1
797 1 34 ALA H 1 34 ALA MB . . 2.640 2.252 2.221 2.294 . 0 0 "[ . 1 . 2]" 1
798 1 34 ALA H 1 35 ALA H . . 3.100 2.559 2.528 2.605 . 0 0 "[ . 1 . 2]" 1
799 1 34 ALA H 1 35 ALA HA . . 5.270 5.266 5.223 5.292 0.022 6 0 "[ . 1 . 2]" 1
800 1 34 ALA H 1 36 ASP H . . 4.100 4.117 4.044 4.162 0.062 3 0 "[ . 1 . 2]" 1
801 1 34 ALA H 1 42 LEU MD1 . . 4.520 4.570 4.552 4.591 0.071 12 0 "[ . 1 . 2]" 1
802 1 34 ALA HA 1 36 ASP H . . 4.430 4.406 4.253 4.462 0.032 18 0 "[ . 1 . 2]" 1
803 1 34 ALA MB 1 35 ALA H . . 3.180 2.870 2.675 3.100 . 0 0 "[ . 1 . 2]" 1
804 1 34 ALA MB 1 37 GLY HA2 . . 6.000 5.991 5.871 6.029 0.029 17 0 "[ . 1 . 2]" 1
805 1 35 ALA H 1 35 ALA MB . . 2.560 2.198 2.145 2.227 . 0 0 "[ . 1 . 2]" 1
806 1 35 ALA H 1 36 ASP H . . 2.900 2.465 2.298 2.629 . 0 0 "[ . 1 . 2]" 1
807 1 35 ALA H 1 36 ASP HA . . 5.410 5.244 5.093 5.384 . 0 0 "[ . 1 . 2]" 1
808 1 35 ALA H 1 36 ASP HB2 . . 5.350 5.183 4.935 5.358 0.008 16 0 "[ . 1 . 2]" 1
809 1 35 ALA H 1 36 ASP HB3 . . 5.350 4.634 4.386 5.000 . 0 0 "[ . 1 . 2]" 1
810 1 35 ALA H 1 37 GLY H . . 5.600 4.597 4.235 5.021 . 0 0 "[ . 1 . 2]" 1
811 1 35 ALA HA 1 36 ASP H . . 3.530 3.504 3.459 3.535 0.005 11 0 "[ . 1 . 2]" 1
812 1 35 ALA MB 1 36 ASP H . . 2.830 2.764 2.564 2.862 0.032 3 0 "[ . 1 . 2]" 1
813 1 35 ALA MB 1 36 ASP QB . . 4.340 3.382 3.140 3.649 . 0 0 "[ . 1 . 2]" 1
814 1 36 ASP H 1 36 ASP HB2 . . 3.610 3.128 2.883 3.277 . 0 0 "[ . 1 . 2]" 1
815 1 36 ASP H 1 36 ASP HB3 . . 3.610 2.503 2.353 2.710 . 0 0 "[ . 1 . 2]" 1
816 1 36 ASP H 1 37 GLY H . . 3.920 2.567 2.238 2.862 . 0 0 "[ . 1 . 2]" 1
817 1 36 ASP H 1 37 GLY HA2 . . 4.690 4.374 4.200 4.502 . 0 0 "[ . 1 . 2]" 1
818 1 36 ASP H 1 37 GLY HA3 . . 4.760 4.410 4.244 4.571 . 0 0 "[ . 1 . 2]" 1
819 1 36 ASP H 1 42 LEU MD1 . . 4.090 3.844 3.749 3.950 . 0 0 "[ . 1 . 2]" 1
820 1 36 ASP HA 1 37 GLY HA3 . . 4.710 4.725 4.708 4.742 0.032 2 0 "[ . 1 . 2]" 1
821 1 36 ASP HA 1 38 ALA H . . 4.500 4.228 4.073 4.387 . 0 0 "[ . 1 . 2]" 1
822 1 36 ASP HA 1 42 LEU MD1 . . 5.280 5.128 4.863 5.307 0.027 9 0 "[ . 1 . 2]" 1
823 1 36 ASP QB 1 38 ALA H . . 4.440 3.450 3.245 3.596 . 0 0 "[ . 1 . 2]" 1
824 1 36 ASP QB 1 39 ASN H . . 4.700 3.837 3.539 3.988 . 0 0 "[ . 1 . 2]" 1
825 1 36 ASP HB2 1 37 GLY H . . 4.300 3.703 3.516 3.868 . 0 0 "[ . 1 . 2]" 1
826 1 36 ASP HB3 1 37 GLY H . . 4.300 2.241 1.991 2.458 . 0 0 "[ . 1 . 2]" 1
827 1 37 GLY H 1 38 ALA H . . 3.400 2.611 2.406 2.775 . 0 0 "[ . 1 . 2]" 1
828 1 37 GLY H 1 38 ALA MB . . 4.330 4.362 4.341 4.384 0.054 12 0 "[ . 1 . 2]" 1
829 1 37 GLY H 1 39 ASN H . . 4.370 3.737 3.445 4.051 . 0 0 "[ . 1 . 2]" 1
830 1 37 GLY HA2 1 38 ALA HA . . 5.080 4.643 4.567 4.709 . 0 0 "[ . 1 . 2]" 1
831 1 37 GLY HA2 1 39 ASN H . . 4.740 4.449 4.222 4.604 . 0 0 "[ . 1 . 2]" 1
832 1 37 GLY HA2 1 42 LEU HB3 . . 6.000 5.852 5.277 6.029 0.029 8 0 "[ . 1 . 2]" 1
833 1 37 GLY HA3 1 38 ALA HA . . 5.920 4.648 4.542 4.693 . 0 0 "[ . 1 . 2]" 1
834 1 37 GLY HA3 1 38 ALA MB . . 5.430 4.203 3.995 4.347 . 0 0 "[ . 1 . 2]" 1
835 1 37 GLY HA3 1 39 ASN H . . 5.250 5.182 5.044 5.265 0.015 13 0 "[ . 1 . 2]" 1
836 1 37 GLY HA3 1 69 LEU MD2 . . 5.620 4.742 4.629 4.901 . 0 0 "[ . 1 . 2]" 1
837 1 38 ALA H 1 38 ALA MB . . 2.820 2.336 2.227 2.452 . 0 0 "[ . 1 . 2]" 1
838 1 38 ALA H 1 39 ASN H . . 2.980 1.966 1.880 2.084 . 0 0 "[ . 1 . 2]" 1
839 1 38 ALA H 1 39 ASN HB2 . . 4.950 4.425 4.260 4.608 . 0 0 "[ . 1 . 2]" 1
840 1 38 ALA H 1 39 ASN QB . . 4.190 3.807 3.703 3.917 . 0 0 "[ . 1 . 2]" 1
841 1 38 ALA H 1 39 ASN HB3 . . 4.950 4.154 4.003 4.303 . 0 0 "[ . 1 . 2]" 1
842 1 38 ALA H 1 69 LEU MD2 . . 4.470 4.477 4.442 4.507 0.037 5 0 "[ . 1 . 2]" 1
843 1 38 ALA HA 1 39 ASN H . . 3.510 3.518 3.470 3.545 0.035 3 0 "[ . 1 . 2]" 1
844 1 38 ALA HA 1 69 LEU HA . . 5.660 4.741 4.538 4.887 . 0 0 "[ . 1 . 2]" 1
845 1 38 ALA HA 1 69 LEU MD1 . . 3.490 2.735 2.671 2.787 . 0 0 "[ . 1 . 2]" 1
846 1 38 ALA HA 1 69 LEU MD2 . . 3.060 2.207 2.075 2.443 . 0 0 "[ . 1 . 2]" 1
847 1 38 ALA HA 1 69 LEU HG . . 5.230 4.732 4.483 4.956 . 0 0 "[ . 1 . 2]" 1
848 1 38 ALA MB 1 39 ASN H . . 3.280 2.900 2.765 3.008 . 0 0 "[ . 1 . 2]" 1
849 1 38 ALA MB 1 39 ASN HA . . 4.190 4.182 4.122 4.225 0.035 7 0 "[ . 1 . 2]" 1
850 1 38 ALA MB 1 69 LEU MD1 . . 3.900 3.913 3.901 3.925 0.025 19 0 "[ . 1 . 2]" 1
851 1 39 ASN H 1 39 ASN HB2 . . 3.250 2.641 2.547 2.792 . 0 0 "[ . 1 . 2]" 1
852 1 39 ASN H 1 39 ASN HB3 . . 3.250 2.450 2.383 2.506 . 0 0 "[ . 1 . 2]" 1
853 1 39 ASN H 1 39 ASN HD21 . . 4.880 4.793 4.705 4.857 . 0 0 "[ . 1 . 2]" 1
854 1 39 ASN H 1 40 ALA H . . 4.620 4.458 4.366 4.530 . 0 0 "[ . 1 . 2]" 1
855 1 39 ASN H 1 41 LEU H . . 5.670 5.393 5.294 5.467 . 0 0 "[ . 1 . 2]" 1
856 1 39 ASN H 1 42 LEU MD1 . . 4.020 3.503 3.368 3.683 . 0 0 "[ . 1 . 2]" 1
857 1 39 ASN H 1 69 LEU MD1 . . 4.070 3.430 3.162 3.592 . 0 0 "[ . 1 . 2]" 1
858 1 39 ASN H 1 69 LEU MD2 . . 5.080 4.820 4.635 4.947 . 0 0 "[ . 1 . 2]" 1
859 1 39 ASN HA 1 39 ASN HD21 . . 4.490 4.497 4.457 4.509 0.019 11 0 "[ . 1 . 2]" 1
860 1 39 ASN HA 1 39 ASN HD22 . . 5.050 4.644 4.565 4.723 . 0 0 "[ . 1 . 2]" 1
861 1 39 ASN HA 1 40 ALA H . . 2.900 2.174 2.141 2.210 . 0 0 "[ . 1 . 2]" 1
862 1 39 ASN HA 1 40 ALA HA . . 4.520 4.508 4.471 4.528 0.008 9 0 "[ . 1 . 2]" 1
863 1 39 ASN HA 1 40 ALA MB . . 4.540 3.972 3.920 4.043 . 0 0 "[ . 1 . 2]" 1
864 1 39 ASN HA 1 41 LEU H . . 3.960 3.660 3.528 3.761 . 0 0 "[ . 1 . 2]" 1
865 1 39 ASN HA 1 42 LEU MD1 . . 5.100 5.052 4.929 5.114 0.014 19 0 "[ . 1 . 2]" 1
866 1 39 ASN HA 1 69 LEU MD1 . . 4.690 3.660 3.560 3.800 . 0 0 "[ . 1 . 2]" 1
867 1 39 ASN QB 1 40 ALA H . . 3.920 3.937 3.920 3.954 0.034 9 0 "[ . 1 . 2]" 1
868 1 39 ASN QB 1 42 LEU H . . 4.750 3.415 3.182 3.553 . 0 0 "[ . 1 . 2]" 1
869 1 39 ASN QB 1 42 LEU MD1 . . 3.230 2.424 2.260 2.529 . 0 0 "[ . 1 . 2]" 1
870 1 39 ASN HB2 1 39 ASN HD22 . . 4.020 3.630 3.569 3.676 . 0 0 "[ . 1 . 2]" 1
871 1 39 ASN HB2 1 40 ALA H . . 4.460 4.425 4.382 4.461 0.001 10 0 "[ . 1 . 2]" 1
872 1 39 ASN HB3 1 39 ASN HD22 . . 4.020 3.634 3.569 3.683 . 0 0 "[ . 1 . 2]" 1
873 1 39 ASN HB3 1 40 ALA H . . 4.460 4.415 4.375 4.441 . 0 0 "[ . 1 . 2]" 1
874 1 39 ASN HD21 1 41 LEU H . . 4.760 4.351 4.256 4.515 . 0 0 "[ . 1 . 2]" 1
875 1 39 ASN HD21 1 41 LEU MD2 . . 4.780 4.395 4.108 4.665 . 0 0 "[ . 1 . 2]" 1
876 1 39 ASN HD21 1 41 LEU HG . . 5.030 5.060 5.035 5.087 0.057 8 0 "[ . 1 . 2]" 1
877 1 39 ASN HD21 1 42 LEU MD1 . . 4.130 3.365 3.059 3.505 . 0 0 "[ . 1 . 2]" 1
878 1 39 ASN HD22 1 41 LEU H . . 4.760 3.668 3.441 3.898 . 0 0 "[ . 1 . 2]" 1
879 1 39 ASN HD22 1 41 LEU MD2 . . 4.140 2.991 2.681 3.249 . 0 0 "[ . 1 . 2]" 1
880 1 39 ASN HD22 1 42 LEU MD1 . . 4.690 4.654 4.361 4.729 0.039 7 0 "[ . 1 . 2]" 1
881 1 40 ALA H 1 40 ALA MB . . 2.900 2.174 2.144 2.215 . 0 0 "[ . 1 . 2]" 1
882 1 40 ALA H 1 41 LEU H . . 3.460 2.889 2.803 2.989 . 0 0 "[ . 1 . 2]" 1
883 1 40 ALA H 1 42 LEU H . . 4.800 4.663 4.592 4.732 . 0 0 "[ . 1 . 2]" 1
884 1 40 ALA H 1 69 LEU H . . 6.000 6.008 5.918 6.035 0.035 11 0 "[ . 1 . 2]" 1
885 1 40 ALA H 1 69 LEU HB3 . . 4.410 3.507 3.287 3.732 . 0 0 "[ . 1 . 2]" 1
886 1 40 ALA H 1 69 LEU MD1 . . 3.990 3.133 3.028 3.216 . 0 0 "[ . 1 . 2]" 1
887 1 40 ALA H 1 69 LEU MD2 . . 5.560 5.042 4.923 5.227 . 0 0 "[ . 1 . 2]" 1
888 1 40 ALA HA 1 42 LEU H . . 4.340 4.143 4.061 4.228 . 0 0 "[ . 1 . 2]" 1
889 1 40 ALA HA 1 43 PRO HD3 . . 4.760 4.154 4.031 4.368 . 0 0 "[ . 1 . 2]" 1
890 1 40 ALA HA 1 43 PRO QG . . 3.550 2.792 2.711 2.966 . 0 0 "[ . 1 . 2]" 1
891 1 40 ALA HA 1 65 GLN HE21 . . 5.260 5.291 5.265 5.306 0.046 3 0 "[ . 1 . 2]" 1
892 1 40 ALA HA 1 69 LEU H . . 5.570 4.775 4.601 4.904 . 0 0 "[ . 1 . 2]" 1
893 1 40 ALA HA 1 69 LEU HB2 . . 3.910 2.969 2.729 3.176 . 0 0 "[ . 1 . 2]" 1
894 1 40 ALA HA 1 69 LEU HB3 . . 5.090 3.977 3.766 4.228 . 0 0 "[ . 1 . 2]" 1
895 1 40 ALA HA 1 69 LEU MD1 . . 3.340 1.969 1.941 2.006 . 0 0 "[ . 1 . 2]" 1
896 1 40 ALA HA 1 69 LEU MD2 . . 4.730 4.706 4.631 4.747 0.017 13 0 "[ . 1 . 2]" 1
897 1 40 ALA MB 1 41 LEU H . . 3.220 3.147 3.019 3.227 0.007 15 0 "[ . 1 . 2]" 1
898 1 40 ALA MB 1 43 PRO QG . . 3.980 3.837 3.724 4.018 0.038 15 0 "[ . 1 . 2]" 1
899 1 40 ALA MB 1 65 GLN HG3 . . 5.440 5.246 5.142 5.446 0.006 5 0 "[ . 1 . 2]" 1
900 1 40 ALA MB 1 66 ALA HA . . 3.420 2.482 2.286 2.756 . 0 0 "[ . 1 . 2]" 1
901 1 40 ALA MB 1 69 LEU H . . 3.780 3.796 3.725 3.821 0.041 18 0 "[ . 1 . 2]" 1
902 1 40 ALA MB 1 69 LEU HA . . 4.690 4.538 4.403 4.640 . 0 0 "[ . 1 . 2]" 1
903 1 40 ALA MB 1 69 LEU HB2 . . 4.300 2.061 2.038 2.089 . 0 0 "[ . 1 . 2]" 1
904 1 40 ALA MB 1 69 LEU HB3 . . 3.550 3.009 2.866 3.189 . 0 0 "[ . 1 . 2]" 1
905 1 40 ALA MB 1 69 LEU MD1 . . 3.220 2.930 2.808 3.061 . 0 0 "[ . 1 . 2]" 1
906 1 40 ALA MB 1 69 LEU MD2 . . 4.420 4.462 4.439 4.492 0.072 20 0 "[ . 1 . 2]" 1
907 1 40 ALA MB 1 70 ASP H . . 3.250 2.495 2.331 2.614 . 0 0 "[ . 1 . 2]" 1
908 1 40 ALA MB 1 70 ASP HA . . 3.800 3.715 3.512 3.812 0.012 3 0 "[ . 1 . 2]" 1
909 1 40 ALA MB 1 70 ASP HB2 . . 3.470 2.097 2.021 2.247 . 0 0 "[ . 1 . 2]" 1
910 1 40 ALA MB 1 70 ASP HB3 . . 3.470 2.641 2.408 2.886 . 0 0 "[ . 1 . 2]" 1
911 1 40 ALA MB 1 71 GLY H . . 4.570 4.139 3.903 4.243 . 0 0 "[ . 1 . 2]" 1
912 1 40 ALA MB 1 72 SER H . . 5.150 5.190 5.162 5.236 0.086 15 0 "[ . 1 . 2]" 1
913 1 40 ALA MB 1 73 TYR H . . 5.420 5.052 4.933 5.181 . 0 0 "[ . 1 . 2]" 1
914 1 40 ALA MB 1 73 TYR HA . . 5.730 5.657 5.477 5.753 0.023 1 0 "[ . 1 . 2]" 1
915 1 40 ALA MB 1 73 TYR QD . . 3.970 2.656 2.069 2.833 . 0 0 "[ . 1 . 2]" 1
916 1 40 ALA MB 1 73 TYR QE . . 3.940 3.765 2.579 3.956 0.016 1 0 "[ . 1 . 2]" 1
917 1 41 LEU H 1 41 LEU HB2 . . 3.450 2.623 2.548 2.673 . 0 0 "[ . 1 . 2]" 1
918 1 41 LEU H 1 41 LEU QB . . 2.810 2.202 2.188 2.240 . 0 0 "[ . 1 . 2]" 1
919 1 41 LEU H 1 41 LEU HB3 . . 3.450 2.366 2.334 2.414 . 0 0 "[ . 1 . 2]" 1
920 1 41 LEU H 1 41 LEU MD1 . . 4.230 4.244 4.211 4.266 0.036 11 0 "[ . 1 . 2]" 1
921 1 41 LEU H 1 41 LEU MD2 . . 4.520 4.194 4.121 4.272 . 0 0 "[ . 1 . 2]" 1
922 1 41 LEU H 1 42 LEU H . . 3.370 2.460 2.407 2.532 . 0 0 "[ . 1 . 2]" 1
923 1 41 LEU H 1 42 LEU HB2 . . 4.590 4.358 4.249 4.471 . 0 0 "[ . 1 . 2]" 1
924 1 41 LEU H 1 42 LEU MD2 . . 5.510 5.543 5.526 5.561 0.051 7 0 "[ . 1 . 2]" 1
925 1 41 LEU H 1 43 PRO HD2 . . 4.450 3.561 3.512 3.623 . 0 0 "[ . 1 . 2]" 1
926 1 41 LEU H 1 43 PRO QG . . 4.720 4.747 4.733 4.768 0.048 5 0 "[ . 1 . 2]" 1
927 1 41 LEU H 1 44 ALA H . . 4.910 4.740 4.688 4.776 . 0 0 "[ . 1 . 2]" 1
928 1 41 LEU H 1 44 ALA MB . . 4.590 4.380 4.337 4.431 . 0 0 "[ . 1 . 2]" 1
929 1 41 LEU H 1 69 LEU MD1 . . 4.460 4.494 4.477 4.509 0.049 13 0 "[ . 1 . 2]" 1
930 1 41 LEU H 1 73 TYR QE . . 4.710 4.387 3.382 4.703 . 0 0 "[ . 1 . 2]" 1
931 1 41 LEU HA 1 41 LEU MD1 . . 3.120 2.208 2.170 2.230 . 0 0 "[ . 1 . 2]" 1
932 1 41 LEU HA 1 41 LEU MD2 . . 3.930 3.798 3.757 3.842 . 0 0 "[ . 1 . 2]" 1
933 1 41 LEU HA 1 43 PRO HD2 . . 4.790 4.146 4.077 4.195 . 0 0 "[ . 1 . 2]" 1
934 1 41 LEU HA 1 44 ALA H . . 3.560 3.388 3.289 3.474 . 0 0 "[ . 1 . 2]" 1
935 1 41 LEU HA 1 44 ALA MB . . 3.380 2.147 2.106 2.226 . 0 0 "[ . 1 . 2]" 1
936 1 41 LEU HA 1 73 TYR QE . . 3.870 2.472 2.303 2.799 . 0 0 "[ . 1 . 2]" 1
937 1 41 LEU QB 1 41 LEU MD1 . . 2.880 2.426 2.394 2.457 . 0 0 "[ . 1 . 2]" 1
938 1 41 LEU QB 1 41 LEU MD2 . . 2.850 2.053 2.014 2.089 . 0 0 "[ . 1 . 2]" 1
939 1 41 LEU QB 1 42 LEU H . . 4.080 2.950 2.901 3.028 . 0 0 "[ . 1 . 2]" 1
940 1 41 LEU QB 2 9 ASP QB . . 4.380 4.352 4.169 4.414 0.034 1 0 "[ . 1 . 2]" 1
941 1 41 LEU HB2 1 41 LEU MD1 . . 3.300 2.505 2.467 2.541 . 0 0 "[ . 1 . 2]" 1
942 1 41 LEU HB2 1 41 LEU MD2 . . 3.330 2.237 2.178 2.296 . 0 0 "[ . 1 . 2]" 1
943 1 41 LEU HB3 1 41 LEU MD1 . . 3.300 3.244 3.233 3.258 . 0 0 "[ . 1 . 2]" 1
944 1 41 LEU HB3 1 41 LEU MD2 . . 3.330 2.392 2.336 2.485 . 0 0 "[ . 1 . 2]" 1
945 1 41 LEU MD1 1 42 LEU H . . 4.520 4.504 4.477 4.531 0.011 9 0 "[ . 1 . 2]" 1
946 1 41 LEU MD1 1 43 PRO HD2 . . 5.930 5.412 5.347 5.461 . 0 0 "[ . 1 . 2]" 1
947 1 41 LEU MD1 1 44 ALA H . . 4.440 4.365 4.276 4.448 0.008 19 0 "[ . 1 . 2]" 1
948 1 41 LEU MD1 1 44 ALA MB . . 3.330 2.391 2.251 2.522 . 0 0 "[ . 1 . 2]" 1
949 1 41 LEU MD1 1 45 ASN H . . 4.750 3.474 3.357 3.620 . 0 0 "[ . 1 . 2]" 1
950 1 41 LEU MD1 1 73 TYR QD . . 4.400 4.663 4.477 5.072 0.672 14 1 "[ . 1 +. 2]" 1
951 1 41 LEU MD1 1 73 TYR QE . . 3.660 2.707 2.511 3.429 . 0 0 "[ . 1 . 2]" 1
952 1 41 LEU MD1 2 8 VAL HA . . 4.330 4.051 3.858 4.251 . 0 0 "[ . 1 . 2]" 1
953 1 41 LEU MD1 2 8 VAL HB . . 5.490 4.880 4.695 5.066 . 0 0 "[ . 1 . 2]" 1
954 1 41 LEU MD1 2 9 ASP HA . . 3.650 3.093 2.609 3.652 0.002 15 0 "[ . 1 . 2]" 1
955 1 41 LEU MD1 2 9 ASP HB2 . . 3.640 2.237 2.121 2.356 . 0 0 "[ . 1 . 2]" 1
956 1 41 LEU MD1 2 9 ASP QB . . 2.810 2.218 2.108 2.329 . 0 0 "[ . 1 . 2]" 1
957 1 41 LEU MD1 2 9 ASP HB3 . . 3.640 3.651 3.614 3.664 0.024 16 0 "[ . 1 . 2]" 1
958 1 41 LEU MD2 1 42 LEU H . . 5.190 4.827 4.768 4.927 . 0 0 "[ . 1 . 2]" 1
959 1 41 LEU MD2 1 44 ALA MB . . 4.720 4.646 4.551 4.738 0.018 19 0 "[ . 1 . 2]" 1
960 1 41 LEU MD2 1 45 ASN HD21 . . 5.740 4.567 4.406 4.757 . 0 0 "[ . 1 . 2]" 1
961 1 41 LEU MD2 1 45 ASN HD22 . . 4.500 3.396 3.235 3.552 . 0 0 "[ . 1 . 2]" 1
962 1 41 LEU MD2 1 73 TYR QD . . 5.570 5.876 5.734 6.103 0.533 14 1 "[ . 1 +. 2]" 1
963 1 41 LEU MD2 1 73 TYR QE . . 4.220 4.216 4.043 4.252 0.032 12 0 "[ . 1 . 2]" 1
964 1 41 LEU MD2 2 9 ASP HA . . 3.670 3.378 2.693 3.698 0.028 13 0 "[ . 1 . 2]" 1
965 1 41 LEU MD2 2 9 ASP HB2 . . 3.640 2.184 2.119 2.261 . 0 0 "[ . 1 . 2]" 1
966 1 41 LEU MD2 2 9 ASP QB . . 2.920 2.165 2.104 2.240 . 0 0 "[ . 1 . 2]" 1
967 1 41 LEU MD2 2 9 ASP HB3 . . 3.640 3.565 3.288 3.651 0.011 19 0 "[ . 1 . 2]" 1
968 1 41 LEU HG 1 42 LEU H . . 4.280 4.130 4.086 4.262 . 0 0 "[ . 1 . 2]" 1
969 1 41 LEU HG 1 45 ASN HD22 . . 5.060 2.521 2.358 2.736 . 0 0 "[ . 1 . 2]" 1
970 1 41 LEU HG 2 9 ASP H . . 4.840 4.770 4.572 4.874 0.034 8 0 "[ . 1 . 2]" 1
971 1 41 LEU HG 2 9 ASP QB . . 3.940 2.743 2.430 2.887 . 0 0 "[ . 1 . 2]" 1
972 1 42 LEU H 1 42 LEU HB2 . . 3.720 2.199 2.151 2.229 . 0 0 "[ . 1 . 2]" 1
973 1 42 LEU H 1 42 LEU MD1 . . 4.040 3.717 3.662 3.793 . 0 0 "[ . 1 . 2]" 1
974 1 42 LEU H 1 42 LEU MD2 . . 3.750 3.731 3.690 3.767 0.017 13 0 "[ . 1 . 2]" 1
975 1 42 LEU H 1 42 LEU HG . . 3.320 2.792 2.758 2.833 . 0 0 "[ . 1 . 2]" 1
976 1 42 LEU H 1 43 PRO HB3 . . 5.700 5.733 5.724 5.738 0.038 18 0 "[ . 1 . 2]" 1
977 1 42 LEU H 1 43 PRO HD2 . . 3.720 2.186 2.145 2.220 . 0 0 "[ . 1 . 2]" 1
978 1 42 LEU H 1 43 PRO HD3 . . 4.050 3.290 3.251 3.336 . 0 0 "[ . 1 . 2]" 1
979 1 42 LEU H 1 43 PRO QG . . 4.090 4.072 4.029 4.093 0.003 7 0 "[ . 1 . 2]" 1
980 1 42 LEU H 1 44 ALA H . . 4.280 3.787 3.729 3.845 . 0 0 "[ . 1 . 2]" 1
981 1 42 LEU HA 1 42 LEU MD2 . . 3.060 1.998 1.977 2.016 . 0 0 "[ . 1 . 2]" 1
982 1 42 LEU HA 1 42 LEU HG . . 4.090 2.945 2.870 3.016 . 0 0 "[ . 1 . 2]" 1
983 1 42 LEU HB2 1 42 LEU MD1 . . 3.480 2.311 2.289 2.336 . 0 0 "[ . 1 . 2]" 1
984 1 42 LEU HB2 1 42 LEU MD2 . . 3.490 3.156 3.144 3.170 . 0 0 "[ . 1 . 2]" 1
985 1 42 LEU HB2 1 43 PRO QG . . 4.740 4.023 3.991 4.061 . 0 0 "[ . 1 . 2]" 1
986 1 42 LEU HB3 1 42 LEU MD1 . . 3.180 2.276 2.230 2.310 . 0 0 "[ . 1 . 2]" 1
987 1 42 LEU HB3 1 42 LEU MD2 . . 3.350 2.216 2.173 2.275 . 0 0 "[ . 1 . 2]" 1
988 1 42 LEU HB3 1 43 PRO HA . . 4.380 4.286 4.232 4.335 . 0 0 "[ . 1 . 2]" 1
989 1 42 LEU HB3 1 43 PRO HD2 . . 4.670 3.598 3.569 3.642 . 0 0 "[ . 1 . 2]" 1
990 1 42 LEU HB3 1 43 PRO HD3 . . 4.860 2.752 2.703 2.793 . 0 0 "[ . 1 . 2]" 1
991 1 42 LEU MD1 1 43 PRO HD2 . . 5.870 4.393 4.340 4.490 . 0 0 "[ . 1 . 2]" 1
992 1 42 LEU MD2 1 43 PRO HD2 . . 4.750 4.781 4.776 4.784 0.034 3 0 "[ . 1 . 2]" 1
993 1 42 LEU MD2 1 43 PRO HD3 . . 4.460 4.518 4.505 4.541 0.081 6 0 "[ . 1 . 2]" 1
994 1 42 LEU MD2 1 45 ASN H . . 5.490 5.184 5.089 5.331 . 0 0 "[ . 1 . 2]" 1
995 1 42 LEU MD2 1 45 ASN HB2 . . 6.000 4.458 4.292 4.763 . 0 0 "[ . 1 . 2]" 1
996 1 43 PRO HA 1 45 ASN H . . 4.830 4.383 4.239 4.523 . 0 0 "[ . 1 . 2]" 1
997 1 43 PRO HA 1 46 ARG H . . 4.250 3.103 3.030 3.187 . 0 0 "[ . 1 . 2]" 1
998 1 43 PRO HA 1 46 ARG HB2 . . 4.210 2.852 2.780 2.910 . 0 0 "[ . 1 . 2]" 1
999 1 43 PRO HA 1 46 ARG HB3 . . 4.060 2.309 2.220 2.380 . 0 0 "[ . 1 . 2]" 1
1000 1 43 PRO HA 1 46 ARG QD . . 4.730 4.002 3.898 4.110 . 0 0 "[ . 1 . 2]" 1
1001 1 43 PRO HA 1 46 ARG HE . . 4.960 3.512 3.252 3.611 . 0 0 "[ . 1 . 2]" 1
1002 1 43 PRO HA 1 47 ALA H . . 4.330 3.736 3.682 3.809 . 0 0 "[ . 1 . 2]" 1
1003 1 43 PRO HA 1 66 ALA MB . . 5.280 5.056 4.961 5.142 . 0 0 "[ . 1 . 2]" 1
1004 1 43 PRO HB2 1 46 ARG HE . . 4.640 4.672 4.642 4.694 0.054 19 0 "[ . 1 . 2]" 1
1005 1 43 PRO HB2 1 47 ALA H . . 5.090 4.611 4.563 4.674 . 0 0 "[ . 1 . 2]" 1
1006 1 43 PRO HB2 1 62 ASP HA . . 3.890 2.971 2.717 3.132 . 0 0 "[ . 1 . 2]" 1
1007 1 43 PRO HB2 1 63 CYS HA . . 4.670 4.691 4.622 4.716 0.046 5 0 "[ . 1 . 2]" 1
1008 1 43 PRO HB2 1 65 GLN H . . 4.860 4.687 4.573 4.840 . 0 0 "[ . 1 . 2]" 1
1009 1 43 PRO HB2 1 66 ALA H . . 4.140 3.395 3.328 3.442 . 0 0 "[ . 1 . 2]" 1
1010 1 43 PRO HB3 1 44 ALA H . . 4.490 4.273 4.248 4.292 . 0 0 "[ . 1 . 2]" 1
1011 1 43 PRO HB3 1 66 ALA H . . 4.730 4.756 4.737 4.778 0.048 6 0 "[ . 1 . 2]" 1
1012 1 43 PRO HD2 1 44 ALA H . . 4.160 2.694 2.660 2.734 . 0 0 "[ . 1 . 2]" 1
1013 1 43 PRO HD2 1 66 ALA H . . 5.860 5.638 5.566 5.724 . 0 0 "[ . 1 . 2]" 1
1014 1 43 PRO HD3 1 44 ALA H . . 4.480 3.886 3.860 3.910 . 0 0 "[ . 1 . 2]" 1
1015 1 43 PRO QG 1 44 ALA H . . 3.520 2.450 2.388 2.485 . 0 0 "[ . 1 . 2]" 1
1016 1 43 PRO QG 1 44 ALA MB . . 3.790 3.657 3.581 3.719 . 0 0 "[ . 1 . 2]" 1
1017 1 43 PRO QG 1 66 ALA H . . 4.340 3.158 3.112 3.225 . 0 0 "[ . 1 . 2]" 1
1018 1 43 PRO QG 1 66 ALA HA . . 3.530 2.768 2.669 2.869 . 0 0 "[ . 1 . 2]" 1
1019 1 43 PRO QG 1 66 ALA MB . . 3.270 2.217 2.174 2.280 . 0 0 "[ . 1 . 2]" 1
1020 1 43 PRO QG 1 76 ALA MB . . 4.540 5.028 4.952 5.100 0.560 1 7 "[+ -* 1 * *.* *2]" 1
1021 1 44 ALA H 1 44 ALA MB . . 2.940 2.311 2.273 2.327 . 0 0 "[ . 1 . 2]" 1
1022 1 44 ALA H 1 45 ASN H . . 3.320 2.838 2.763 2.896 . 0 0 "[ . 1 . 2]" 1
1023 1 44 ALA H 1 46 ARG H . . 4.210 4.053 3.999 4.117 . 0 0 "[ . 1 . 2]" 1
1024 1 44 ALA H 1 66 ALA H . . 5.650 5.121 5.054 5.204 . 0 0 "[ . 1 . 2]" 1
1025 1 44 ALA H 1 66 ALA MB . . 3.260 3.048 2.934 3.131 . 0 0 "[ . 1 . 2]" 1
1026 1 44 ALA H 1 69 LEU MD1 . . 5.790 5.285 5.190 5.383 . 0 0 "[ . 1 . 2]" 1
1027 1 44 ALA HA 1 46 ARG H . . 4.510 4.519 4.513 4.527 0.017 2 0 "[ . 1 . 2]" 1
1028 1 44 ALA HA 1 47 ALA H . . 4.180 3.735 3.679 3.839 . 0 0 "[ . 1 . 2]" 1
1029 1 44 ALA HA 1 47 ALA MB . . 3.620 2.949 2.869 3.087 . 0 0 "[ . 1 . 2]" 1
1030 1 44 ALA HA 1 79 ARG HD3 . . 4.120 4.135 4.056 4.159 0.039 12 0 "[ . 1 . 2]" 1
1031 1 44 ALA MB 1 45 ASN H . . 3.130 2.548 2.481 2.662 . 0 0 "[ . 1 . 2]" 1
1032 1 44 ALA MB 1 45 ASN HD22 . . 4.590 4.604 4.594 4.611 0.021 10 0 "[ . 1 . 2]" 1
1033 1 44 ALA MB 1 46 ARG H . . 4.890 4.522 4.473 4.565 . 0 0 "[ . 1 . 2]" 1
1034 1 44 ALA MB 1 73 TYR QD . . 3.870 3.257 2.971 3.836 . 0 0 "[ . 1 . 2]" 1
1035 1 44 ALA MB 1 73 TYR QE . . 3.480 2.671 2.278 3.446 . 0 0 "[ . 1 . 2]" 1
1036 1 44 ALA MB 1 79 ARG HD3 . . 4.590 4.090 3.863 4.333 . 0 0 "[ . 1 . 2]" 1
1037 1 44 ALA MB 2 8 VAL HA . . 5.130 5.166 5.139 5.190 0.060 13 0 "[ . 1 . 2]" 1
1038 1 45 ASN H 1 45 ASN HB2 . . 3.430 2.498 2.473 2.543 . 0 0 "[ . 1 . 2]" 1
1039 1 45 ASN H 1 45 ASN HB3 . . 3.580 3.590 3.584 3.602 0.022 8 0 "[ . 1 . 2]" 1
1040 1 45 ASN H 1 45 ASN HD21 . . 4.730 3.798 3.661 4.027 . 0 0 "[ . 1 . 2]" 1
1041 1 45 ASN H 1 45 ASN HD22 . . 5.650 4.200 4.057 4.321 . 0 0 "[ . 1 . 2]" 1
1042 1 45 ASN H 1 46 ARG H . . 3.300 2.575 2.459 2.682 . 0 0 "[ . 1 . 2]" 1
1043 1 45 ASN H 1 46 ARG HB2 . . 5.080 4.808 4.677 4.918 . 0 0 "[ . 1 . 2]" 1
1044 1 45 ASN H 1 46 ARG HB3 . . 5.320 5.021 4.886 5.110 . 0 0 "[ . 1 . 2]" 1
1045 1 45 ASN H 1 47 ALA MB . . 5.320 4.911 4.831 5.018 . 0 0 "[ . 1 . 2]" 1
1046 1 45 ASN H 2 8 VAL QG . . 5.370 4.757 4.619 4.922 . 0 0 "[ . 1 . 2]" 1
1047 1 45 ASN HA 1 48 MET H . . 3.970 3.397 3.304 3.562 . 0 0 "[ . 1 . 2]" 1
1048 1 45 ASN HA 1 48 MET QB . . 4.280 2.737 2.583 2.952 . 0 0 "[ . 1 . 2]" 1
1049 1 45 ASN HA 1 48 MET QG . . 4.550 3.321 3.148 3.505 . 0 0 "[ . 1 . 2]" 1
1050 1 45 ASN HA 1 79 ARG HD3 . . 5.340 4.976 4.755 5.160 . 0 0 "[ . 1 . 2]" 1
1051 1 45 ASN HA 2 8 VAL HA . . 3.600 3.603 3.514 3.646 0.046 18 0 "[ . 1 . 2]" 1
1052 1 45 ASN HA 2 8 VAL QG . . 4.590 2.474 2.302 2.645 . 0 0 "[ . 1 . 2]" 1
1053 1 45 ASN HB2 2 8 VAL HA . . 5.110 5.097 4.998 5.163 0.053 18 0 "[ . 1 . 2]" 1
1054 1 45 ASN HB2 2 9 ASP H . . 4.800 4.637 4.527 4.783 . 0 0 "[ . 1 . 2]" 1
1055 1 45 ASN HB3 2 8 VAL HA . . 4.060 3.924 3.800 4.066 0.006 18 0 "[ . 1 . 2]" 1
1056 1 45 ASN HB3 2 8 VAL HB . . 4.000 2.934 2.753 3.070 . 0 0 "[ . 1 . 2]" 1
1057 1 45 ASN HB3 2 8 VAL QG . . 4.520 2.535 2.399 2.820 . 0 0 "[ . 1 . 2]" 1
1058 1 45 ASN HB3 2 9 ASP H . . 4.600 3.856 3.735 4.001 . 0 0 "[ . 1 . 2]" 1
1059 1 45 ASN HD21 2 8 VAL QG . . 4.920 4.353 4.111 4.613 . 0 0 "[ . 1 . 2]" 1
1060 1 45 ASN HD21 2 9 ASP H . . 4.440 3.413 3.119 3.632 . 0 0 "[ . 1 . 2]" 1
1061 1 45 ASN HD22 2 8 VAL HA . . 4.720 4.159 3.944 4.272 . 0 0 "[ . 1 . 2]" 1
1062 1 45 ASN HD22 2 9 ASP H . . 4.850 2.444 2.192 2.635 . 0 0 "[ . 1 . 2]" 1
1063 1 46 ARG H 1 46 ARG HB2 . . 3.220 2.412 2.354 2.464 . 0 0 "[ . 1 . 2]" 1
1064 1 46 ARG H 1 46 ARG HB3 . . 3.840 2.730 2.690 2.790 . 0 0 "[ . 1 . 2]" 1
1065 1 46 ARG H 1 46 ARG HE . . 5.220 5.200 5.003 5.252 0.032 3 0 "[ . 1 . 2]" 1
1066 1 46 ARG H 1 47 ALA H . . 3.360 2.805 2.774 2.854 . 0 0 "[ . 1 . 2]" 1
1067 1 46 ARG H 1 48 MET H . . 4.410 4.250 4.188 4.325 . 0 0 "[ . 1 . 2]" 1
1068 1 46 ARG HA 1 46 ARG QD . . 5.020 3.894 3.872 3.916 . 0 0 "[ . 1 . 2]" 1
1069 1 46 ARG HA 1 46 ARG HE . . 5.610 4.985 4.904 5.072 . 0 0 "[ . 1 . 2]" 1
1070 1 46 ARG HA 1 46 ARG HG2 . . 4.220 3.024 2.941 3.127 . 0 0 "[ . 1 . 2]" 1
1071 1 46 ARG HA 1 49 ALA H . . 4.530 3.480 3.372 3.562 . 0 0 "[ . 1 . 2]" 1
1072 1 46 ARG HA 1 49 ALA MB . . 3.910 2.986 2.804 3.134 . 0 0 "[ . 1 . 2]" 1
1073 1 46 ARG HA 1 50 TYR H . . 4.530 4.278 4.134 4.469 . 0 0 "[ . 1 . 2]" 1
1074 1 46 ARG HA 1 50 TYR QD . . 4.680 4.394 4.283 4.493 . 0 0 "[ . 1 . 2]" 1
1075 1 46 ARG HA 1 62 ASP HB3 . . 6.000 5.811 5.688 6.004 0.004 18 0 "[ . 1 . 2]" 1
1076 1 46 ARG HB2 1 46 ARG HE . . 4.420 3.482 3.260 3.565 . 0 0 "[ . 1 . 2]" 1
1077 1 46 ARG HB2 1 47 ALA H . . 4.060 3.835 3.768 3.889 . 0 0 "[ . 1 . 2]" 1
1078 1 46 ARG HB3 1 46 ARG HE . . 4.730 2.536 2.395 2.606 . 0 0 "[ . 1 . 2]" 1
1079 1 46 ARG HB3 1 47 ALA H . . 4.040 2.642 2.605 2.696 . 0 0 "[ . 1 . 2]" 1
1080 1 46 ARG QD 1 50 TYR QE . . 5.390 2.910 2.708 3.215 . 0 0 "[ . 1 . 2]" 1
1081 1 46 ARG HE 1 47 ALA H . . 5.130 4.745 4.646 4.884 . 0 0 "[ . 1 . 2]" 1
1082 1 46 ARG HE 1 50 TYR QE . . 3.980 3.193 2.761 3.938 . 0 0 "[ . 1 . 2]" 1
1083 1 46 ARG HG2 1 47 ALA H . . 4.100 4.023 3.934 4.100 . 11 0 "[ . 1 . 2]" 1
1084 1 46 ARG HG2 1 50 TYR QE . . 4.430 2.315 2.189 2.526 . 0 0 "[ . 1 . 2]" 1
1085 1 46 ARG HG3 1 47 ALA H . . 5.450 4.777 4.696 4.817 . 0 0 "[ . 1 . 2]" 1
1086 1 46 ARG HG3 1 50 TYR H . . 5.330 4.934 4.675 5.128 . 0 0 "[ . 1 . 2]" 1
1087 1 47 ALA H 1 47 ALA MB . . 2.980 2.203 2.193 2.223 . 0 0 "[ . 1 . 2]" 1
1088 1 47 ALA H 1 48 MET H . . 3.640 2.880 2.833 2.932 . 0 0 "[ . 1 . 2]" 1
1089 1 47 ALA H 1 49 ALA H . . 4.780 4.487 4.356 4.635 . 0 0 "[ . 1 . 2]" 1
1090 1 47 ALA H 1 50 TYR H . . 5.280 4.979 4.884 5.124 . 0 0 "[ . 1 . 2]" 1
1091 1 47 ALA H 1 50 TYR HB2 . . 5.540 5.073 4.956 5.221 . 0 0 "[ . 1 . 2]" 1
1092 1 47 ALA H 1 50 TYR QD . . 4.850 4.274 4.085 4.479 . 0 0 "[ . 1 . 2]" 1
1093 1 47 ALA H 1 62 ASP HB2 . . 4.130 3.623 3.453 3.831 . 0 0 "[ . 1 . 2]" 1
1094 1 47 ALA H 1 62 ASP HB3 . . 4.220 2.977 2.790 3.155 . 0 0 "[ . 1 . 2]" 1
1095 1 47 ALA HA 1 50 TYR H . . 4.100 3.528 3.390 3.685 . 0 0 "[ . 1 . 2]" 1
1096 1 47 ALA HA 1 50 TYR HB2 . . 4.130 2.557 2.446 2.706 . 0 0 "[ . 1 . 2]" 1
1097 1 47 ALA HA 1 50 TYR QD . . 3.800 2.748 2.519 2.941 . 0 0 "[ . 1 . 2]" 1
1098 1 47 ALA HA 1 50 TYR QE . . 5.280 4.950 4.712 5.164 . 0 0 "[ . 1 . 2]" 1
1099 1 47 ALA HA 1 62 ASP HB2 . . 4.300 2.924 2.758 3.156 . 0 0 "[ . 1 . 2]" 1
1100 1 47 ALA HA 1 62 ASP HB3 . . 4.570 3.766 3.558 3.965 . 0 0 "[ . 1 . 2]" 1
1101 1 47 ALA MB 1 48 MET H . . 3.290 2.601 2.504 2.702 . 0 0 "[ . 1 . 2]" 1
1102 1 47 ALA MB 1 48 MET HA . . 4.650 3.937 3.872 4.000 . 0 0 "[ . 1 . 2]" 1
1103 1 47 ALA MB 1 50 TYR QD . . 4.540 4.214 4.030 4.351 . 0 0 "[ . 1 . 2]" 1
1104 1 47 ALA MB 1 62 ASP H . . 4.040 3.809 3.654 3.932 . 0 0 "[ . 1 . 2]" 1
1105 1 47 ALA MB 1 62 ASP HA . . 4.360 4.242 4.129 4.362 0.002 8 0 "[ . 1 . 2]" 1
1106 1 47 ALA MB 1 62 ASP HB2 . . 3.320 2.322 2.237 2.449 . 0 0 "[ . 1 . 2]" 1
1107 1 47 ALA MB 1 62 ASP HB3 . . 3.400 2.318 2.201 2.479 . 0 0 "[ . 1 . 2]" 1
1108 1 47 ALA MB 1 63 CYS H . . 3.490 2.934 2.772 3.061 . 0 0 "[ . 1 . 2]" 1
1109 1 47 ALA MB 1 63 CYS HA . . 3.960 3.354 3.169 3.506 . 0 0 "[ . 1 . 2]" 1
1110 1 47 ALA MB 1 63 CYS HB2 . . 3.920 3.909 3.806 3.935 0.015 8 0 "[ . 1 . 2]" 1
1111 1 47 ALA MB 1 65 GLN H . . 5.970 5.731 5.528 5.968 . 0 0 "[ . 1 . 2]" 1
1112 1 48 MET H 1 48 MET HB2 . . 3.940 2.297 2.246 2.358 . 0 0 "[ . 1 . 2]" 1
1113 1 48 MET H 1 48 MET QB . . 3.420 2.271 2.222 2.328 . 0 0 "[ . 1 . 2]" 1
1114 1 48 MET H 1 48 MET HB3 . . 3.940 3.566 3.537 3.596 . 0 0 "[ . 1 . 2]" 1
1115 1 48 MET H 1 48 MET ME . . 4.920 4.658 4.607 4.717 . 0 0 "[ . 1 . 2]" 1
1116 1 48 MET H 1 48 MET QG . . 3.610 2.726 2.612 2.857 . 0 0 "[ . 1 . 2]" 1
1117 1 48 MET H 1 49 ALA H . . 3.270 2.843 2.806 2.894 . 0 0 "[ . 1 . 2]" 1
1118 1 48 MET H 1 50 TYR H . . 4.520 4.458 4.401 4.524 0.004 13 0 "[ . 1 . 2]" 1
1119 1 48 MET H 1 59 ALA MB . . 4.980 4.942 4.897 4.982 0.002 20 0 "[ . 1 . 2]" 1
1120 1 48 MET H 1 79 ARG HD3 . . 4.470 3.758 3.612 3.891 . 0 0 "[ . 1 . 2]" 1
1121 1 48 MET HA 1 48 MET ME . . 3.830 2.731 2.607 2.885 . 0 0 "[ . 1 . 2]" 1
1122 1 48 MET HA 1 51 LEU H . . 4.300 3.414 3.342 3.472 . 0 0 "[ . 1 . 2]" 1
1123 1 48 MET HA 1 51 LEU HB2 . . 4.320 3.163 2.938 3.305 . 0 0 "[ . 1 . 2]" 1
1124 1 48 MET HA 1 51 LEU HB3 . . 4.340 2.819 2.747 2.874 . 0 0 "[ . 1 . 2]" 1
1125 1 48 MET HA 1 51 LEU MD2 . . 3.980 3.903 3.743 3.995 0.015 4 0 "[ . 1 . 2]" 1
1126 1 48 MET QB 1 48 MET ME . . 2.900 2.106 2.094 2.125 . 0 0 "[ . 1 . 2]" 1
1127 1 48 MET QB 1 49 ALA H . . 3.910 2.667 2.585 2.752 . 0 0 "[ . 1 . 2]" 1
1128 1 48 MET QB 1 79 ARG HB3 . . 5.810 5.828 5.800 5.848 0.038 19 0 "[ . 1 . 2]" 1
1129 1 48 MET QB 2 5 MET ME . . 5.370 4.754 4.641 4.861 . 0 0 "[ . 1 . 2]" 1
1130 1 48 MET QB 2 8 VAL HA . . 5.280 4.612 4.393 4.884 . 0 0 "[ . 1 . 2]" 1
1131 1 48 MET QB 2 8 VAL QG . . 4.810 2.677 2.466 2.901 . 0 0 "[ . 1 . 2]" 1
1132 1 48 MET HB2 1 48 MET ME . . 3.450 3.465 3.452 3.473 0.023 2 0 "[ . 1 . 2]" 1
1133 1 48 MET HB2 1 49 ALA H . . 4.720 2.811 2.700 2.927 . 0 0 "[ . 1 . 2]" 1
1134 1 48 MET HB3 1 48 MET ME . . 3.450 2.124 2.111 2.144 . 0 0 "[ . 1 . 2]" 1
1135 1 48 MET HB3 1 49 ALA H . . 4.720 3.320 3.256 3.410 . 0 0 "[ . 1 . 2]" 1
1136 1 48 MET ME 1 49 ALA H . . 4.680 4.643 4.473 4.693 0.013 8 0 "[ . 1 . 2]" 1
1137 1 48 MET ME 1 49 ALA HA . . 4.720 4.591 4.349 4.731 0.011 10 0 "[ . 1 . 2]" 1
1138 1 48 MET ME 1 51 LEU MD2 . . 3.600 3.296 3.113 3.524 . 0 0 "[ . 1 . 2]" 1
1139 1 48 MET ME 1 52 LYS HB2 . . 5.100 4.878 4.546 5.106 0.006 8 0 "[ . 1 . 2]" 1
1140 1 48 MET ME 1 52 LYS HD2 . . 4.450 4.287 4.117 4.419 . 0 0 "[ . 1 . 2]" 1
1141 1 48 MET ME 1 52 LYS HD3 . . 3.370 3.177 2.973 3.388 0.018 2 0 "[ . 1 . 2]" 1
1142 1 48 MET ME 1 52 LYS QE . . 3.160 2.097 1.934 2.319 . 0 0 "[ . 1 . 2]" 1
1143 1 48 MET ME 1 52 LYS QG . . 3.620 2.705 2.397 2.937 . 0 0 "[ . 1 . 2]" 1
1144 1 48 MET ME 2 5 MET ME . . 3.020 2.843 2.624 3.024 0.004 5 0 "[ . 1 . 2]" 1
1145 1 48 MET ME 2 7 GLU HA . . 5.300 4.596 3.779 5.294 . 0 0 "[ . 1 . 2]" 1
1146 1 48 MET ME 2 8 VAL QG . . 4.500 3.692 3.382 3.993 . 0 0 "[ . 1 . 2]" 1
1147 1 48 MET QG 1 49 ALA H . . 4.780 4.386 4.310 4.460 . 0 0 "[ . 1 . 2]" 1
1148 1 49 ALA H 1 49 ALA MB . . 2.980 2.222 2.200 2.240 . 0 0 "[ . 1 . 2]" 1
1149 1 49 ALA H 1 50 TYR H . . 3.450 2.886 2.841 2.938 . 0 0 "[ . 1 . 2]" 1
1150 1 49 ALA H 1 50 TYR QD . . 6.000 5.068 4.965 5.190 . 0 0 "[ . 1 . 2]" 1
1151 1 49 ALA H 1 51 LEU H . . 4.580 4.119 4.083 4.175 . 0 0 "[ . 1 . 2]" 1
1152 1 49 ALA HA 1 51 LEU H . . 4.940 4.278 4.226 4.346 . 0 0 "[ . 1 . 2]" 1
1153 1 49 ALA HA 1 52 LYS QE . . 4.980 5.011 4.976 5.045 0.065 16 0 "[ . 1 . 2]" 1
1154 1 49 ALA MB 1 50 TYR H . . 3.250 2.531 2.424 2.584 . 0 0 "[ . 1 . 2]" 1
1155 1 49 ALA MB 1 50 TYR HA . . 4.340 4.081 4.029 4.124 . 0 0 "[ . 1 . 2]" 1
1156 1 49 ALA MB 1 51 LEU H . . 4.510 4.515 4.487 4.526 0.016 15 0 "[ . 1 . 2]" 1
1157 1 49 ALA MB 1 52 LYS HB2 . . 4.970 4.164 4.004 4.289 . 0 0 "[ . 1 . 2]" 1
1158 1 49 ALA MB 1 53 ILE MD . . 4.710 4.309 4.207 4.411 . 0 0 "[ . 1 . 2]" 1
1159 1 49 ALA MB 1 53 ILE MG . . 4.510 3.921 3.704 4.039 . 0 0 "[ . 1 . 2]" 1
1160 1 50 TYR H 1 50 TYR HB2 . . 3.610 2.322 2.287 2.380 . 0 0 "[ . 1 . 2]" 1
1161 1 50 TYR H 1 50 TYR HB3 . . 3.760 3.565 3.542 3.594 . 0 0 "[ . 1 . 2]" 1
1162 1 50 TYR H 1 50 TYR QD . . 3.850 3.057 2.950 3.164 . 0 0 "[ . 1 . 2]" 1
1163 1 50 TYR H 1 50 TYR QE . . 5.000 4.909 4.776 5.007 0.007 7 0 "[ . 1 . 2]" 1
1164 1 50 TYR H 1 51 LEU H . . 3.460 2.852 2.810 2.913 . 0 0 "[ . 1 . 2]" 1
1165 1 50 TYR H 1 52 LYS H . . 4.480 4.390 4.321 4.465 . 0 0 "[ . 1 . 2]" 1
1166 1 50 TYR H 1 52 LYS HB2 . . 5.970 5.514 5.411 5.650 . 0 0 "[ . 1 . 2]" 1
1167 1 50 TYR H 1 53 ILE MD . . 4.650 4.622 4.567 4.655 0.005 16 0 "[ . 1 . 2]" 1
1168 1 50 TYR H 1 53 ILE HG13 . . 5.400 5.409 5.360 5.424 0.024 6 0 "[ . 1 . 2]" 1
1169 1 50 TYR H 1 59 ALA MB . . 4.100 4.104 4.091 4.111 0.011 11 0 "[ . 1 . 2]" 1
1170 1 50 TYR HA 1 50 TYR QD . . 3.590 2.522 2.395 2.601 . 0 0 "[ . 1 . 2]" 1
1171 1 50 TYR HA 1 50 TYR QE . . 4.450 4.447 4.358 4.482 0.032 2 0 "[ . 1 . 2]" 1
1172 1 50 TYR HA 1 53 ILE H . . 4.100 3.506 3.450 3.602 . 0 0 "[ . 1 . 2]" 1
1173 1 50 TYR HA 1 53 ILE HB . . 4.770 4.830 4.816 4.840 0.070 13 0 "[ . 1 . 2]" 1
1174 1 50 TYR HA 1 53 ILE MD . . 3.650 2.455 2.385 2.505 . 0 0 "[ . 1 . 2]" 1
1175 1 50 TYR HA 1 53 ILE HG12 . . 4.080 2.091 2.045 2.131 . 0 0 "[ . 1 . 2]" 1
1176 1 50 TYR HA 1 53 ILE HG13 . . 5.150 2.689 2.631 2.726 . 0 0 "[ . 1 . 2]" 1
1177 1 50 TYR HA 1 53 ILE MG . . 4.230 4.001 3.936 4.069 . 0 0 "[ . 1 . 2]" 1
1178 1 50 TYR HA 1 55 LYS H . . 4.670 3.852 3.770 3.905 . 0 0 "[ . 1 . 2]" 1
1179 1 50 TYR HA 1 59 ALA MB . . 4.170 4.183 4.174 4.195 0.025 13 0 "[ . 1 . 2]" 1
1180 1 50 TYR HB2 1 51 LEU H . . 4.150 2.868 2.779 2.924 . 0 0 "[ . 1 . 2]" 1
1181 1 50 TYR HB2 1 53 ILE H . . 5.950 5.721 5.619 5.783 . 0 0 "[ . 1 . 2]" 1
1182 1 50 TYR HB2 1 59 ALA H . . 4.070 3.713 3.549 3.808 . 0 0 "[ . 1 . 2]" 1
1183 1 50 TYR HB2 1 59 ALA HA . . 4.330 2.716 2.573 2.859 . 0 0 "[ . 1 . 2]" 1
1184 1 50 TYR HB2 1 59 ALA MB . . 3.520 2.444 2.341 2.511 . 0 0 "[ . 1 . 2]" 1
1185 1 50 TYR HB3 1 51 LEU H . . 4.430 3.502 3.455 3.560 . 0 0 "[ . 1 . 2]" 1
1186 1 50 TYR HB3 1 55 LYS HA . . 6.000 5.170 5.025 5.282 . 0 0 "[ . 1 . 2]" 1
1187 1 50 TYR HB3 1 59 ALA H . . 3.640 2.746 2.630 2.859 . 0 0 "[ . 1 . 2]" 1
1188 1 50 TYR HB3 1 59 ALA HA . . 4.520 3.331 3.182 3.512 . 0 0 "[ . 1 . 2]" 1
1189 1 50 TYR HB3 1 59 ALA MB . . 3.600 2.295 2.244 2.362 . 0 0 "[ . 1 . 2]" 1
1190 1 50 TYR QD 1 51 LEU H . . 4.720 4.647 4.570 4.698 . 0 0 "[ . 1 . 2]" 1
1191 1 50 TYR QD 1 53 ILE MD . . 3.430 2.397 2.283 2.516 . 0 0 "[ . 1 . 2]" 1
1192 1 50 TYR QD 1 53 ILE HG12 . . 6.000 3.921 3.759 4.046 . 0 0 "[ . 1 . 2]" 1
1193 1 50 TYR QD 1 53 ILE HG13 . . 5.290 3.572 3.444 3.691 . 0 0 "[ . 1 . 2]" 1
1194 1 50 TYR QD 1 55 LYS HA . . 5.640 4.894 4.799 4.962 . 0 0 "[ . 1 . 2]" 1
1195 1 50 TYR QD 1 55 LYS HB3 . . 3.570 2.708 2.516 2.892 . 0 0 "[ . 1 . 2]" 1
1196 1 50 TYR QD 1 55 LYS QE . . 5.790 4.748 4.519 4.943 . 0 0 "[ . 1 . 2]" 1
1197 1 50 TYR QD 1 58 GLU H . . 4.630 4.659 4.650 4.676 0.046 14 0 "[ . 1 . 2]" 1
1198 1 50 TYR QD 1 58 GLU HA . . 5.470 5.227 5.100 5.391 . 0 0 "[ . 1 . 2]" 1
1199 1 50 TYR QD 1 58 GLU QG . . 5.200 3.408 3.198 3.866 . 0 0 "[ . 1 . 2]" 1
1200 1 50 TYR QD 1 59 ALA H . . 4.230 4.191 4.140 4.239 0.009 4 0 "[ . 1 . 2]" 1
1201 1 50 TYR QD 1 59 ALA HA . . 4.030 3.497 3.248 3.686 . 0 0 "[ . 1 . 2]" 1
1202 1 50 TYR QD 1 59 ALA MB . . 4.090 3.940 3.833 4.009 . 0 0 "[ . 1 . 2]" 1
1203 1 50 TYR QE 1 53 ILE MD . . 4.190 3.364 3.160 3.515 . 0 0 "[ . 1 . 2]" 1
1204 1 50 TYR QE 1 55 LYS QE . . 4.950 4.774 4.245 4.978 0.028 18 0 "[ . 1 . 2]" 1
1205 1 50 TYR QE 1 58 GLU HA . . 6.000 5.414 5.244 5.592 . 0 0 "[ . 1 . 2]" 1
1206 1 50 TYR QE 1 58 GLU QG . . 4.080 2.945 2.741 3.343 . 0 0 "[ . 1 . 2]" 1
1207 1 50 TYR QE 1 59 ALA H . . 5.640 5.622 5.475 5.678 0.038 3 0 "[ . 1 . 2]" 1
1208 1 51 LEU H 1 51 LEU HB2 . . 3.470 2.277 2.234 2.331 . 0 0 "[ . 1 . 2]" 1
1209 1 51 LEU H 1 51 LEU HB3 . . 3.350 2.734 2.645 2.812 . 0 0 "[ . 1 . 2]" 1
1210 1 51 LEU H 1 51 LEU MD1 . . 4.130 3.974 3.908 4.047 . 0 0 "[ . 1 . 2]" 1
1211 1 51 LEU H 1 51 LEU MD2 . . 4.600 4.391 4.346 4.440 . 0 0 "[ . 1 . 2]" 1
1212 1 51 LEU H 1 52 LYS H . . 3.670 2.733 2.700 2.781 . 0 0 "[ . 1 . 2]" 1
1213 1 51 LEU H 1 53 ILE H . . 4.610 4.159 4.086 4.214 . 0 0 "[ . 1 . 2]" 1
1214 1 51 LEU H 1 54 GLN H . . 5.600 5.064 4.934 5.222 . 0 0 "[ . 1 . 2]" 1
1215 1 51 LEU H 1 55 LYS H . . 5.270 5.089 4.998 5.273 0.003 19 0 "[ . 1 . 2]" 1
1216 1 51 LEU H 1 59 ALA H . . 5.720 5.274 5.177 5.407 . 0 0 "[ . 1 . 2]" 1
1217 1 51 LEU H 1 59 ALA MB . . 3.420 2.767 2.696 2.833 . 0 0 "[ . 1 . 2]" 1
1218 1 51 LEU HA 1 51 LEU MD1 . . 3.200 3.067 2.990 3.127 . 0 0 "[ . 1 . 2]" 1
1219 1 51 LEU HA 1 51 LEU MD2 . . 3.940 3.508 3.393 3.598 . 0 0 "[ . 1 . 2]" 1
1220 1 51 LEU HA 1 51 LEU HG . . 3.850 2.197 2.123 2.275 . 0 0 "[ . 1 . 2]" 1
1221 1 51 LEU HA 1 53 ILE H . . 4.800 4.234 4.053 4.384 . 0 0 "[ . 1 . 2]" 1
1222 1 51 LEU HA 1 54 GLN H . . 4.370 3.460 3.277 3.631 . 0 0 "[ . 1 . 2]" 1
1223 1 51 LEU HA 1 54 GLN HA . . 4.660 3.591 3.383 3.858 . 0 0 "[ . 1 . 2]" 1
1224 1 51 LEU HA 1 55 LYS H . . 4.430 3.674 3.549 3.894 . 0 0 "[ . 1 . 2]" 1
1225 1 51 LEU HA 1 56 TYR QD . . 4.170 3.265 3.105 3.400 . 0 0 "[ . 1 . 2]" 1
1226 1 51 LEU HA 1 56 TYR QE . . 4.260 3.779 3.567 4.019 . 0 0 "[ . 1 . 2]" 1
1227 1 51 LEU HA 1 59 ALA MB . . 3.750 2.944 2.856 3.080 . 0 0 "[ . 1 . 2]" 1
1228 1 51 LEU HA 1 83 ALA HA . . 5.160 5.139 4.966 5.196 0.036 12 0 "[ . 1 . 2]" 1
1229 1 51 LEU HB2 1 51 LEU MD2 . . 3.010 3.002 2.956 3.026 0.016 4 0 "[ . 1 . 2]" 1
1230 1 51 LEU HB2 1 52 LYS H . . 4.020 3.843 3.771 3.924 . 0 0 "[ . 1 . 2]" 1
1231 1 51 LEU HB2 2 5 MET ME . . 3.850 3.839 3.758 3.863 0.013 18 0 "[ . 1 . 2]" 1
1232 1 51 LEU HB3 1 51 LEU MD1 . . 3.460 2.927 2.886 2.982 . 0 0 "[ . 1 . 2]" 1
1233 1 51 LEU HB3 1 51 LEU MD2 . . 3.050 2.189 2.171 2.204 . 0 0 "[ . 1 . 2]" 1
1234 1 51 LEU HB3 1 52 LYS H . . 3.580 2.807 2.697 2.899 . 0 0 "[ . 1 . 2]" 1
1235 1 51 LEU HB3 1 52 LYS HA . . 4.460 4.421 4.341 4.465 0.005 12 0 "[ . 1 . 2]" 1
1236 1 51 LEU HB3 1 52 LYS HB2 . . 6.000 5.144 5.055 5.221 . 0 0 "[ . 1 . 2]" 1
1237 1 51 LEU HB3 1 52 LYS HD3 . . 4.850 3.789 3.462 4.230 . 0 0 "[ . 1 . 2]" 1
1238 1 51 LEU HB3 1 59 ALA MB . . 4.130 3.880 3.760 4.002 . 0 0 "[ . 1 . 2]" 1
1239 1 51 LEU HB3 2 5 MET ME . . 3.520 3.478 3.347 3.549 0.029 3 0 "[ . 1 . 2]" 1
1240 1 51 LEU MD1 1 54 GLN HA . . 6.000 5.428 5.189 5.632 . 0 0 "[ . 1 . 2]" 1
1241 1 51 LEU MD1 1 56 TYR HA . . 3.670 3.312 3.205 3.423 . 0 0 "[ . 1 . 2]" 1
1242 1 51 LEU MD1 1 56 TYR HB2 . . 5.100 5.079 4.945 5.122 0.022 12 0 "[ . 1 . 2]" 1
1243 1 51 LEU MD1 1 56 TYR HB3 . . 4.110 3.737 3.580 3.834 . 0 0 "[ . 1 . 2]" 1
1244 1 51 LEU MD1 1 56 TYR QD . . 3.050 2.387 2.319 2.427 . 0 0 "[ . 1 . 2]" 1
1245 1 51 LEU MD1 1 56 TYR QE . . 3.470 3.454 3.323 3.491 0.021 13 0 "[ . 1 . 2]" 1
1246 1 51 LEU MD1 1 59 ALA MB . . 2.920 2.345 2.240 2.442 . 0 0 "[ . 1 . 2]" 1
1247 1 51 LEU MD1 1 63 CYS HG . . 4.440 4.021 3.894 4.155 . 0 0 "[ . 1 . 2]" 1
1248 1 51 LEU MD1 1 80 ARG HA . . 4.520 4.547 4.523 4.569 0.049 15 0 "[ . 1 . 2]" 1
1249 1 51 LEU MD1 1 82 THR HB . . 4.110 3.085 2.925 3.393 . 0 0 "[ . 1 . 2]" 1
1250 1 51 LEU MD1 1 82 THR MG . . 3.020 2.638 2.494 2.844 . 0 0 "[ . 1 . 2]" 1
1251 1 51 LEU MD1 1 83 ALA H . . 3.620 2.812 2.742 2.876 . 0 0 "[ . 1 . 2]" 1
1252 1 51 LEU MD1 1 83 ALA HA . . 3.180 2.224 2.117 2.327 . 0 0 "[ . 1 . 2]" 1
1253 1 51 LEU MD1 1 83 ALA MB . . 3.190 2.027 2.003 2.050 . 0 0 "[ . 1 . 2]" 1
1254 1 51 LEU MD1 2 5 MET ME . . 2.920 2.260 2.134 2.528 . 0 0 "[ . 1 . 2]" 1
1255 1 51 LEU MD2 1 52 LYS QE . . 4.590 4.313 3.840 4.596 0.006 6 0 "[ . 1 . 2]" 1
1256 1 51 LEU MD2 1 56 TYR QD . . 4.570 3.580 3.454 3.720 . 0 0 "[ . 1 . 2]" 1
1257 1 51 LEU MD2 1 79 ARG HB3 . . 5.080 4.902 4.787 4.974 . 0 0 "[ . 1 . 2]" 1
1258 1 51 LEU MD2 1 82 THR HB . . 3.850 3.641 3.402 3.849 . 0 0 "[ . 1 . 2]" 1
1259 1 51 LEU MD2 1 82 THR MG . . 2.920 2.322 2.170 2.462 . 0 0 "[ . 1 . 2]" 1
1260 1 51 LEU MD2 1 83 ALA H . . 4.580 4.554 4.412 4.589 0.009 7 0 "[ . 1 . 2]" 1
1261 1 51 LEU MD2 1 83 ALA HA . . 4.010 4.045 4.035 4.059 0.049 18 0 "[ . 1 . 2]" 1
1262 1 51 LEU MD2 1 83 ALA MB . . 4.210 4.222 4.208 4.233 0.023 1 0 "[ . 1 . 2]" 1
1263 1 51 LEU MD2 1 86 PHE QD . . 4.370 3.810 3.547 4.096 . 0 0 "[ . 1 . 2]" 1
1264 1 51 LEU MD2 2 5 MET ME . . 2.440 1.838 1.806 1.857 . 0 0 "[ . 1 . 2]" 1
1265 1 51 LEU MD2 2 5 MET HG2 . . 4.700 4.603 4.457 4.771 0.071 17 0 "[ . 1 . 2]" 1
1266 1 51 LEU MD2 2 5 MET HG3 . . 5.070 5.102 4.853 5.131 0.061 18 0 "[ . 1 . 2]" 1
1267 1 51 LEU HG 1 56 TYR QE . . 4.080 2.362 2.211 2.564 . 0 0 "[ . 1 . 2]" 1
1268 1 51 LEU HG 1 59 ALA MB . . 3.870 3.767 3.607 3.874 0.004 13 0 "[ . 1 . 2]" 1
1269 1 51 LEU HG 1 83 ALA HA . . 4.380 3.766 3.707 3.855 . 0 0 "[ . 1 . 2]" 1
1270 1 52 LYS H 1 52 LYS HB2 . . 3.620 2.515 2.473 2.555 . 0 0 "[ . 1 . 2]" 1
1271 1 52 LYS H 1 52 LYS HB3 . . 3.620 3.629 3.620 3.637 0.017 8 0 "[ . 1 . 2]" 1
1272 1 52 LYS H 1 52 LYS HD3 . . 3.890 3.428 3.219 3.706 . 0 0 "[ . 1 . 2]" 1
1273 1 52 LYS H 1 52 LYS QE . . 4.870 4.492 4.308 4.621 . 0 0 "[ . 1 . 2]" 1
1274 1 52 LYS H 1 52 LYS QG . . 3.470 2.470 2.363 2.538 . 0 0 "[ . 1 . 2]" 1
1275 1 52 LYS H 1 53 ILE H . . 3.600 2.737 2.638 2.800 . 0 0 "[ . 1 . 2]" 1
1276 1 52 LYS H 1 54 GLN H . . 4.270 3.996 3.876 4.139 . 0 0 "[ . 1 . 2]" 1
1277 1 52 LYS HA 1 52 LYS HD2 . . 3.800 2.467 2.294 2.612 . 0 0 "[ . 1 . 2]" 1
1278 1 52 LYS HA 1 52 LYS HD3 . . 3.150 2.453 2.338 2.560 . 0 0 "[ . 1 . 2]" 1
1279 1 52 LYS HA 1 52 LYS QE . . 4.110 4.143 4.117 4.165 0.055 10 0 "[ . 1 . 2]" 1
1280 1 52 LYS HA 1 52 LYS QG . . 3.920 3.087 2.989 3.153 . 0 0 "[ . 1 . 2]" 1
1281 1 52 LYS HA 1 53 ILE HA . . 4.560 4.598 4.573 4.618 0.058 4 0 "[ . 1 . 2]" 1
1282 1 52 LYS HB2 1 52 LYS QE . . 4.320 4.159 4.078 4.200 . 0 0 "[ . 1 . 2]" 1
1283 1 52 LYS HB2 1 53 ILE H . . 4.390 2.982 2.861 3.126 . 0 0 "[ . 1 . 2]" 1
1284 1 52 LYS HB3 1 52 LYS QE . . 3.730 3.724 3.618 3.772 0.042 19 0 "[ . 1 . 2]" 1
1285 1 52 LYS HB3 1 53 ILE HA . . 4.680 4.618 4.498 4.697 0.017 16 0 "[ . 1 . 2]" 1
1286 1 52 LYS HD3 2 5 MET ME . . 4.780 4.816 4.798 4.839 0.059 1 0 "[ . 1 . 2]" 1
1287 1 52 LYS QE 2 5 MET ME . . 4.940 4.760 4.385 4.952 0.012 15 0 "[ . 1 . 2]" 1
1288 1 53 ILE H 1 53 ILE HB . . 3.850 3.697 3.676 3.719 . 0 0 "[ . 1 . 2]" 1
1289 1 53 ILE H 1 53 ILE MD . . 3.810 3.844 3.833 3.853 0.043 19 0 "[ . 1 . 2]" 1
1290 1 53 ILE H 1 53 ILE HG12 . . 3.480 2.218 2.193 2.246 . 0 0 "[ . 1 . 2]" 1
1291 1 53 ILE H 1 53 ILE HG13 . . 3.460 2.862 2.781 2.926 . 0 0 "[ . 1 . 2]" 1
1292 1 53 ILE H 1 53 ILE MG . . 3.100 2.547 2.491 2.648 . 0 0 "[ . 1 . 2]" 1
1293 1 53 ILE H 1 54 GLN H . . 3.260 2.572 2.479 2.638 . 0 0 "[ . 1 . 2]" 1
1294 1 53 ILE H 1 54 GLN HA . . 4.690 4.675 4.609 4.714 0.024 8 0 "[ . 1 . 2]" 1
1295 1 53 ILE H 1 54 GLN HB2 . . 5.540 5.593 5.578 5.629 0.089 13 0 "[ . 1 . 2]" 1
1296 1 53 ILE H 1 54 GLN HG3 . . 4.930 4.687 4.566 4.830 . 0 0 "[ . 1 . 2]" 1
1297 1 53 ILE H 1 55 LYS H . . 3.850 3.710 3.570 3.804 . 0 0 "[ . 1 . 2]" 1
1298 1 53 ILE HA 1 53 ILE MD . . 4.200 4.180 4.167 4.198 . 0 0 "[ . 1 . 2]" 1
1299 1 53 ILE HA 1 53 ILE HG12 . . 4.180 3.845 3.820 3.882 . 0 0 "[ . 1 . 2]" 1
1300 1 53 ILE HA 1 53 ILE MG . . 3.020 2.299 2.267 2.319 . 0 0 "[ . 1 . 2]" 1
1301 1 53 ILE HA 1 54 GLN HA . . 5.250 4.960 4.919 5.001 . 0 0 "[ . 1 . 2]" 1
1302 1 53 ILE HA 1 54 GLN HE21 . . 4.440 2.968 2.538 3.621 . 0 0 "[ . 1 . 2]" 1
1303 1 53 ILE HA 1 54 GLN HE22 . . 4.890 4.122 3.408 4.949 0.059 12 0 "[ . 1 . 2]" 1
1304 1 53 ILE HA 1 54 GLN HG3 . . 4.250 3.837 3.366 4.156 . 0 0 "[ . 1 . 2]" 1
1305 1 53 ILE HA 1 55 LYS H . . 4.600 4.574 4.497 4.638 0.038 8 0 "[ . 1 . 2]" 1
1306 1 53 ILE HB 1 53 ILE MD . . 3.190 2.313 2.295 2.325 . 0 0 "[ . 1 . 2]" 1
1307 1 53 ILE MD 1 55 LYS H . . 3.830 3.840 3.704 3.860 0.030 8 0 "[ . 1 . 2]" 1
1308 1 53 ILE MD 1 55 LYS HA . . 4.950 4.962 4.921 4.979 0.029 1 0 "[ . 1 . 2]" 1
1309 1 53 ILE MD 1 55 LYS QE . . 3.510 3.137 2.383 3.511 0.001 13 0 "[ . 1 . 2]" 1
1310 1 53 ILE HG12 1 53 ILE MG . . 3.560 2.314 2.282 2.342 . 0 0 "[ . 1 . 2]" 1
1311 1 53 ILE HG12 1 54 GLN H . . 4.200 4.110 3.989 4.201 0.001 4 0 "[ . 1 . 2]" 1
1312 1 53 ILE HG12 1 54 GLN HA . . 6.000 5.901 5.772 6.004 0.004 16 0 "[ . 1 . 2]" 1
1313 1 53 ILE HG13 1 53 ILE MG . . 3.530 3.236 3.217 3.248 . 0 0 "[ . 1 . 2]" 1
1314 1 53 ILE HG13 1 54 GLN H . . 4.230 3.512 3.378 3.599 . 0 0 "[ . 1 . 2]" 1
1315 1 53 ILE HG13 1 54 GLN HA . . 5.090 4.858 4.734 4.948 . 0 0 "[ . 1 . 2]" 1
1316 1 53 ILE HG13 1 55 LYS H . . 3.230 2.361 2.285 2.398 . 0 0 "[ . 1 . 2]" 1
1317 1 53 ILE MG 1 54 GLN H . . 4.560 4.314 4.277 4.341 . 0 0 "[ . 1 . 2]" 1
1318 1 53 ILE MG 1 54 GLN HA . . 6.000 6.027 6.018 6.034 0.034 19 0 "[ . 1 . 2]" 1
1319 1 53 ILE MG 1 54 GLN HE21 . . 5.240 4.644 4.315 5.172 . 0 0 "[ . 1 . 2]" 1
1320 1 54 GLN H 1 54 GLN HB2 . . 3.940 3.519 3.456 3.603 . 0 0 "[ . 1 . 2]" 1
1321 1 54 GLN H 1 54 GLN HB3 . . 4.080 4.010 3.964 4.075 . 0 0 "[ . 1 . 2]" 1
1322 1 54 GLN H 1 54 GLN HE21 . . 4.760 3.780 3.223 4.633 . 0 0 "[ . 1 . 2]" 1
1323 1 54 GLN H 1 54 GLN HE22 . . 6.000 5.318 4.807 5.986 . 0 0 "[ . 1 . 2]" 1
1324 1 54 GLN H 1 54 GLN HG2 . . 3.940 3.899 3.620 4.016 0.076 13 0 "[ . 1 . 2]" 1
1325 1 54 GLN H 1 54 GLN HG3 . . 3.590 2.558 2.457 2.787 . 0 0 "[ . 1 . 2]" 1
1326 1 54 GLN H 1 55 LYS H . . 3.400 2.678 2.585 2.722 . 0 0 "[ . 1 . 2]" 1
1327 1 54 GLN H 1 55 LYS HA . . 5.300 5.364 5.340 5.378 0.078 14 0 "[ . 1 . 2]" 1
1328 1 54 GLN H 1 56 TYR QE . . 4.590 4.596 4.541 4.631 0.041 17 0 "[ . 1 . 2]" 1
1329 1 54 GLN HA 1 54 GLN HE21 . . 5.200 4.633 4.352 5.130 . 0 0 "[ . 1 . 2]" 1
1330 1 54 GLN HA 1 54 GLN HG2 . . 3.350 2.980 2.707 3.229 . 0 0 "[ . 1 . 2]" 1
1331 1 54 GLN HA 1 54 GLN HG3 . . 3.580 2.654 2.430 2.939 . 0 0 "[ . 1 . 2]" 1
1332 1 54 GLN HA 1 55 LYS H . . 3.450 2.964 2.808 3.070 . 0 0 "[ . 1 . 2]" 1
1333 1 54 GLN HA 1 55 LYS HA . . 5.460 4.588 4.509 4.674 . 0 0 "[ . 1 . 2]" 1
1334 1 54 GLN HA 1 56 TYR QD . . 4.760 3.858 3.698 3.990 . 0 0 "[ . 1 . 2]" 1
1335 1 54 GLN HA 1 56 TYR QE . . 3.930 3.182 3.056 3.245 . 0 0 "[ . 1 . 2]" 1
1336 1 54 GLN HB2 1 54 GLN HE21 . . 4.250 3.421 2.667 3.890 . 0 0 "[ . 1 . 2]" 1
1337 1 54 GLN HB2 1 54 GLN HE22 . . 4.720 3.909 3.723 4.110 . 0 0 "[ . 1 . 2]" 1
1338 1 54 GLN HB2 1 56 TYR H . . 5.710 5.496 5.372 5.704 . 0 0 "[ . 1 . 2]" 1
1339 1 54 GLN HB3 1 54 GLN HE21 . . 4.680 4.443 3.935 4.675 . 0 0 "[ . 1 . 2]" 1
1340 1 54 GLN HB3 1 54 GLN HE22 . . 5.160 4.919 4.586 5.181 0.021 13 0 "[ . 1 . 2]" 1
1341 1 54 GLN HB3 1 56 TYR H . . 5.130 4.751 4.578 4.920 . 0 0 "[ . 1 . 2]" 1
1342 1 54 GLN HE22 1 54 GLN HG2 . . 4.070 4.046 3.982 4.091 0.021 12 0 "[ . 1 . 2]" 1
1343 1 54 GLN HG2 1 56 TYR QE . . 4.580 3.586 3.085 3.942 . 0 0 "[ . 1 . 2]" 1
1344 1 54 GLN HG3 1 56 TYR QE . . 5.290 4.323 3.913 4.806 . 0 0 "[ . 1 . 2]" 1
1345 1 55 LYS H 1 55 LYS HB3 . . 3.700 3.625 3.556 3.659 . 0 0 "[ . 1 . 2]" 1
1346 1 55 LYS H 1 55 LYS QE . . 5.060 4.952 4.422 5.087 0.027 19 0 "[ . 1 . 2]" 1
1347 1 55 LYS H 1 56 TYR H . . 3.820 3.652 3.578 3.765 . 0 0 "[ . 1 . 2]" 1
1348 1 55 LYS HA 1 55 LYS QE . . 4.710 4.256 4.066 4.729 0.019 20 0 "[ . 1 . 2]" 1
1349 1 55 LYS HA 1 56 TYR H . . 2.880 2.483 2.419 2.561 . 0 0 "[ . 1 . 2]" 1
1350 1 55 LYS HA 1 57 GLU H . . 3.870 3.542 3.445 3.658 . 0 0 "[ . 1 . 2]" 1
1351 1 55 LYS HA 1 58 GLU H . . 4.740 4.113 3.911 4.434 . 0 0 "[ . 1 . 2]" 1
1352 1 55 LYS HB3 1 56 TYR H . . 4.500 4.357 4.287 4.403 . 0 0 "[ . 1 . 2]" 1
1353 1 55 LYS HB3 1 57 GLU H . . 4.500 4.468 4.394 4.528 0.028 1 0 "[ . 1 . 2]" 1
1354 1 55 LYS HB3 1 58 GLU H . . 3.880 3.196 3.075 3.353 . 0 0 "[ . 1 . 2]" 1
1355 1 55 LYS HB3 1 59 ALA H . . 4.140 4.095 3.921 4.170 0.030 18 0 "[ . 1 . 2]" 1
1356 1 56 TYR H 1 56 TYR HB2 . . 3.700 2.664 2.629 2.725 . 0 0 "[ . 1 . 2]" 1
1357 1 56 TYR H 1 56 TYR HB3 . . 3.750 3.604 3.584 3.618 . 0 0 "[ . 1 . 2]" 1
1358 1 56 TYR H 1 56 TYR QD . . 3.280 2.449 2.349 2.607 . 0 0 "[ . 1 . 2]" 1
1359 1 56 TYR H 1 56 TYR QE . . 4.320 4.077 3.983 4.216 . 0 0 "[ . 1 . 2]" 1
1360 1 56 TYR H 1 57 GLU H . . 3.280 2.632 2.515 2.687 . 0 0 "[ . 1 . 2]" 1
1361 1 56 TYR H 1 57 GLU HB2 . . 4.630 4.559 4.393 4.652 0.022 6 0 "[ . 1 . 2]" 1
1362 1 56 TYR H 1 57 GLU HB3 . . 6.000 5.149 4.978 5.324 . 0 0 "[ . 1 . 2]" 1
1363 1 56 TYR H 1 58 GLU H . . 4.600 4.328 4.226 4.540 . 0 0 "[ . 1 . 2]" 1
1364 1 56 TYR H 1 87 LEU MD1 . . 3.880 3.906 3.895 3.918 0.038 14 0 "[ . 1 . 2]" 1
1365 1 56 TYR H 1 87 LEU MD2 . . 5.570 5.488 5.386 5.577 0.007 4 0 "[ . 1 . 2]" 1
1366 1 56 TYR HA 1 56 TYR QD . . 3.390 2.806 2.671 2.916 . 0 0 "[ . 1 . 2]" 1
1367 1 56 TYR HA 1 56 TYR QE . . 5.020 4.775 4.689 4.853 . 0 0 "[ . 1 . 2]" 1
1368 1 56 TYR HA 1 59 ALA H . . 3.700 3.112 3.006 3.257 . 0 0 "[ . 1 . 2]" 1
1369 1 56 TYR HA 1 59 ALA MB . . 3.120 2.132 2.103 2.169 . 0 0 "[ . 1 . 2]" 1
1370 1 56 TYR HA 1 60 GLU H . . 3.570 3.584 3.558 3.605 0.035 8 0 "[ . 1 . 2]" 1
1371 1 56 TYR HB2 1 57 GLU H . . 3.890 2.858 2.749 2.954 . 0 0 "[ . 1 . 2]" 1
1372 1 56 TYR HB2 1 83 ALA HA . . 4.590 4.354 4.211 4.501 . 0 0 "[ . 1 . 2]" 1
1373 1 56 TYR HB2 1 83 ALA MB . . 4.320 3.942 3.822 4.048 . 0 0 "[ . 1 . 2]" 1
1374 1 56 TYR HB2 1 87 LEU H . . 4.900 4.034 3.856 4.153 . 0 0 "[ . 1 . 2]" 1
1375 1 56 TYR HB2 1 87 LEU HA . . 5.020 3.517 3.079 3.921 . 0 0 "[ . 1 . 2]" 1
1376 1 56 TYR HB2 1 87 LEU MD1 . . 3.560 2.220 2.146 2.305 . 0 0 "[ . 1 . 2]" 1
1377 1 56 TYR HB2 1 87 LEU MD2 . . 4.210 3.638 3.481 3.760 . 0 0 "[ . 1 . 2]" 1
1378 1 56 TYR HB3 1 57 GLU H . . 4.110 3.949 3.848 4.024 . 0 0 "[ . 1 . 2]" 1
1379 1 56 TYR HB3 1 57 GLU HA . . 5.300 4.793 4.692 4.895 . 0 0 "[ . 1 . 2]" 1
1380 1 56 TYR HB3 1 60 GLU H . . 4.300 4.350 4.326 4.370 0.070 4 0 "[ . 1 . 2]" 1
1381 1 56 TYR HB3 1 83 ALA HA . . 4.660 2.707 2.574 2.827 . 0 0 "[ . 1 . 2]" 1
1382 1 56 TYR HB3 1 83 ALA MB . . 4.320 2.468 2.361 2.578 . 0 0 "[ . 1 . 2]" 1
1383 1 56 TYR HB3 1 87 LEU H . . 4.680 3.932 3.661 4.048 . 0 0 "[ . 1 . 2]" 1
1384 1 56 TYR HB3 1 87 LEU MD1 . . 3.340 3.340 3.236 3.355 0.015 18 0 "[ . 1 . 2]" 1
1385 1 56 TYR QD 1 57 GLU H . . 3.950 3.959 3.911 3.992 0.042 6 0 "[ . 1 . 2]" 1
1386 1 56 TYR QD 1 59 ALA MB . . 3.800 3.606 3.493 3.766 . 0 0 "[ . 1 . 2]" 1
1387 1 56 TYR QD 1 83 ALA HA . . 3.320 2.274 2.132 2.367 . 0 0 "[ . 1 . 2]" 1
1388 1 56 TYR QD 1 83 ALA MB . . 3.840 3.169 3.035 3.245 . 0 0 "[ . 1 . 2]" 1
1389 1 56 TYR QD 1 87 LEU H . . 4.670 4.579 4.369 4.675 0.005 12 0 "[ . 1 . 2]" 1
1390 1 56 TYR QD 1 87 LEU HA . . 4.960 3.984 3.519 4.332 . 0 0 "[ . 1 . 2]" 1
1391 1 56 TYR QD 1 87 LEU MD1 . . 3.740 3.569 3.429 3.764 0.024 3 0 "[ . 1 . 2]" 1
1392 1 56 TYR QE 1 59 ALA MB . . 5.480 5.179 5.058 5.378 . 0 0 "[ . 1 . 2]" 1
1393 1 56 TYR QE 1 82 THR MG . . 4.610 4.113 3.797 4.407 . 0 0 "[ . 1 . 2]" 1
1394 1 56 TYR QE 1 83 ALA HA . . 4.160 4.105 3.966 4.183 0.023 11 0 "[ . 1 . 2]" 1
1395 1 56 TYR QE 1 83 ALA MB . . 5.090 5.008 4.875 5.084 . 0 0 "[ . 1 . 2]" 1
1396 1 57 GLU H 1 57 GLU HB2 . . 3.040 2.172 2.133 2.263 . 0 0 "[ . 1 . 2]" 1
1397 1 57 GLU H 1 57 GLU HB3 . . 3.070 2.810 2.732 2.949 . 0 0 "[ . 1 . 2]" 1
1398 1 57 GLU H 1 57 GLU HG3 . . 4.140 4.144 4.111 4.166 0.026 10 0 "[ . 1 . 2]" 1
1399 1 57 GLU H 1 58 GLU H . . 3.100 2.804 2.720 2.926 . 0 0 "[ . 1 . 2]" 1
1400 1 57 GLU H 1 58 GLU HA . . 5.500 5.460 5.411 5.523 0.023 18 0 "[ . 1 . 2]" 1
1401 1 57 GLU H 1 58 GLU HB2 . . 5.440 5.168 5.004 5.371 . 0 0 "[ . 1 . 2]" 1
1402 1 57 GLU H 1 59 ALA H . . 4.170 4.146 4.066 4.181 0.011 3 0 "[ . 1 . 2]" 1
1403 1 57 GLU H 1 60 GLU H . . 5.030 4.838 4.768 4.898 . 0 0 "[ . 1 . 2]" 1
1404 1 57 GLU H 1 87 LEU MD1 . . 3.230 2.575 2.492 2.731 . 0 0 "[ . 1 . 2]" 1
1405 1 57 GLU H 1 87 LEU MD2 . . 4.280 3.935 3.811 4.097 . 0 0 "[ . 1 . 2]" 1
1406 1 57 GLU HA 1 57 GLU HG2 . . 2.960 2.733 2.493 2.945 . 0 0 "[ . 1 . 2]" 1
1407 1 57 GLU HA 1 57 GLU HG3 . . 3.690 2.461 2.271 2.668 . 0 0 "[ . 1 . 2]" 1
1408 1 57 GLU HA 1 58 GLU HA . . 4.690 4.710 4.696 4.723 0.033 5 0 "[ . 1 . 2]" 1
1409 1 57 GLU HA 1 87 LEU MD1 . . 3.420 2.476 2.309 2.609 . 0 0 "[ . 1 . 2]" 1
1410 1 57 GLU HA 1 87 LEU MD2 . . 3.340 2.347 2.201 2.564 . 0 0 "[ . 1 . 2]" 1
1411 1 57 GLU HA 1 87 LEU HG . . 4.680 4.519 4.404 4.640 . 0 0 "[ . 1 . 2]" 1
1412 1 57 GLU HB2 1 58 GLU H . . 3.720 3.741 3.724 3.766 0.046 2 0 "[ . 1 . 2]" 1
1413 1 57 GLU HB2 1 87 LEU MD1 . . 3.540 2.353 2.221 2.522 . 0 0 "[ . 1 . 2]" 1
1414 1 57 GLU HB2 1 87 LEU MD2 . . 4.750 3.844 3.669 4.121 . 0 0 "[ . 1 . 2]" 1
1415 1 57 GLU HB3 1 58 GLU H . . 4.170 2.749 2.615 2.876 . 0 0 "[ . 1 . 2]" 1
1416 1 57 GLU HG2 1 58 GLU H . . 4.470 4.405 4.266 4.490 0.020 14 0 "[ . 1 . 2]" 1
1417 1 57 GLU HG2 1 61 LYS QE . . 3.740 2.716 2.091 3.287 . 0 0 "[ . 1 . 2]" 1
1418 1 57 GLU HG2 1 87 LEU MD1 . . 3.700 3.723 3.698 3.739 0.039 16 0 "[ . 1 . 2]" 1
1419 1 57 GLU HG2 1 87 LEU MD2 . . 4.220 3.869 3.530 4.190 . 0 0 "[ . 1 . 2]" 1
1420 1 57 GLU HG3 1 58 GLU H . . 5.300 5.092 4.964 5.177 . 0 0 "[ . 1 . 2]" 1
1421 1 57 GLU HG3 1 87 LEU MD1 . . 3.340 2.337 2.258 2.516 . 0 0 "[ . 1 . 2]" 1
1422 1 57 GLU HG3 1 87 LEU MD2 . . 4.180 2.855 2.485 3.413 . 0 0 "[ . 1 . 2]" 1
1423 1 58 GLU H 1 58 GLU HB2 . . 3.570 2.546 2.438 2.633 . 0 0 "[ . 1 . 2]" 1
1424 1 58 GLU H 1 58 GLU HB3 . . 3.780 3.656 3.618 3.686 . 0 0 "[ . 1 . 2]" 1
1425 1 58 GLU H 1 58 GLU QG . . 3.070 2.326 2.154 2.423 . 0 0 "[ . 1 . 2]" 1
1426 1 58 GLU H 1 59 ALA H . . 3.340 2.366 2.313 2.405 . 0 0 "[ . 1 . 2]" 1
1427 1 58 GLU H 1 59 ALA HA . . 5.080 5.065 5.017 5.091 0.011 8 0 "[ . 1 . 2]" 1
1428 1 58 GLU H 1 59 ALA MB . . 4.200 4.066 4.023 4.110 . 0 0 "[ . 1 . 2]" 1
1429 1 58 GLU H 1 60 GLU H . . 4.600 4.154 4.085 4.246 . 0 0 "[ . 1 . 2]" 1
1430 1 58 GLU H 1 61 LYS QE . . 5.500 4.825 4.523 5.504 0.004 14 0 "[ . 1 . 2]" 1
1431 1 58 GLU H 1 87 LEU MD2 . . 5.470 5.175 5.017 5.358 . 0 0 "[ . 1 . 2]" 1
1432 1 58 GLU HA 1 58 GLU QG . . 3.470 3.121 2.967 3.251 . 0 0 "[ . 1 . 2]" 1
1433 1 58 GLU HA 1 61 LYS H . . 3.730 3.423 3.324 3.547 . 0 0 "[ . 1 . 2]" 1
1434 1 58 GLU HA 1 61 LYS QB . . 3.730 3.009 2.711 3.235 . 0 0 "[ . 1 . 2]" 1
1435 1 58 GLU HA 1 61 LYS QE . . 4.380 3.292 2.719 4.063 . 0 0 "[ . 1 . 2]" 1
1436 1 58 GLU HA 1 61 LYS QG . . 3.490 3.226 2.709 3.503 0.013 17 0 "[ . 1 . 2]" 1
1437 1 58 GLU HA 1 62 ASP H . . 4.560 4.507 4.237 4.624 0.064 16 0 "[ . 1 . 2]" 1
1438 1 58 GLU HB2 1 59 ALA H . . 3.920 2.720 2.632 2.808 . 0 0 "[ . 1 . 2]" 1
1439 1 58 GLU HB3 1 59 ALA H . . 3.960 3.849 3.741 3.966 0.006 8 0 "[ . 1 . 2]" 1
1440 1 58 GLU QG 1 59 ALA H . . 4.000 3.994 3.811 4.051 0.051 18 0 "[ . 1 . 2]" 1
1441 1 59 ALA H 1 59 ALA MB . . 2.940 2.242 2.219 2.275 . 0 0 "[ . 1 . 2]" 1
1442 1 59 ALA H 1 60 GLU H . . 3.420 2.903 2.838 2.970 . 0 0 "[ . 1 . 2]" 1
1443 1 59 ALA H 1 60 GLU HB3 . . 5.250 4.900 4.777 5.081 . 0 0 "[ . 1 . 2]" 1
1444 1 59 ALA H 1 83 ALA MB . . 4.790 4.373 4.241 4.495 . 0 0 "[ . 1 . 2]" 1
1445 1 59 ALA HA 1 62 ASP H . . 4.200 3.591 3.518 3.689 . 0 0 "[ . 1 . 2]" 1
1446 1 59 ALA HA 1 62 ASP HB2 . . 4.540 3.086 2.889 3.218 . 0 0 "[ . 1 . 2]" 1
1447 1 59 ALA HA 1 62 ASP HB3 . . 5.090 4.656 4.453 4.849 . 0 0 "[ . 1 . 2]" 1
1448 1 59 ALA HA 1 63 CYS H . . 4.800 4.182 3.978 4.296 . 0 0 "[ . 1 . 2]" 1
1449 1 59 ALA MB 1 60 GLU H . . 3.170 2.524 2.455 2.623 . 0 0 "[ . 1 . 2]" 1
1450 1 59 ALA MB 1 62 ASP HB2 . . 4.620 4.524 4.330 4.639 0.019 13 0 "[ . 1 . 2]" 1
1451 1 59 ALA MB 1 63 CYS H . . 4.730 4.705 4.564 4.747 0.017 9 0 "[ . 1 . 2]" 1
1452 1 60 GLU H 1 60 GLU HB3 . . 3.370 2.518 2.437 2.621 . 0 0 "[ . 1 . 2]" 1
1453 1 60 GLU H 1 60 GLU QG . . 4.540 3.992 3.923 4.023 . 0 0 "[ . 1 . 2]" 1
1454 1 60 GLU H 1 61 LYS H . . 3.430 2.983 2.840 3.058 . 0 0 "[ . 1 . 2]" 1
1455 1 60 GLU H 1 62 ASP H . . 4.770 4.692 4.594 4.770 0.000 5 0 "[ . 1 . 2]" 1
1456 1 60 GLU H 1 63 CYS HB2 . . 5.080 5.076 4.939 5.103 0.023 7 0 "[ . 1 . 2]" 1
1457 1 60 GLU H 1 63 CYS HG . . 5.560 4.888 4.678 5.235 . 0 0 "[ . 1 . 2]" 1
1458 1 60 GLU H 1 83 ALA MB . . 3.330 2.765 2.660 2.881 . 0 0 "[ . 1 . 2]" 1
1459 1 60 GLU H 1 87 LEU MD2 . . 4.440 4.096 3.840 4.246 . 0 0 "[ . 1 . 2]" 1
1460 1 60 GLU HA 1 60 GLU QG . . 3.650 2.507 2.455 2.558 . 0 0 "[ . 1 . 2]" 1
1461 1 60 GLU HA 1 61 LYS HA . . 5.100 4.864 4.812 4.922 . 0 0 "[ . 1 . 2]" 1
1462 1 60 GLU HA 1 63 CYS H . . 4.220 3.680 3.518 3.819 . 0 0 "[ . 1 . 2]" 1
1463 1 60 GLU HA 1 63 CYS HB2 . . 4.140 2.707 2.486 2.802 . 0 0 "[ . 1 . 2]" 1
1464 1 60 GLU HA 1 63 CYS HB3 . . 4.390 4.332 4.116 4.400 0.010 12 0 "[ . 1 . 2]" 1
1465 1 60 GLU HA 1 83 ALA MB . . 3.840 2.836 2.661 2.937 . 0 0 "[ . 1 . 2]" 1
1466 1 60 GLU HA 1 84 ARG H . . 5.260 4.784 4.529 4.999 . 0 0 "[ . 1 . 2]" 1
1467 1 60 GLU HA 1 84 ARG HE . . 5.260 5.117 4.859 5.300 0.040 15 0 "[ . 1 . 2]" 1
1468 1 60 GLU HB3 1 61 LYS H . . 3.520 2.626 2.554 2.730 . 0 0 "[ . 1 . 2]" 1
1469 1 60 GLU HB3 1 83 ALA MB . . 3.940 3.949 3.800 3.979 0.039 15 0 "[ . 1 . 2]" 1
1470 1 60 GLU HB3 1 87 LEU MD2 . . 4.520 3.236 3.015 3.505 . 0 0 "[ . 1 . 2]" 1
1471 1 60 GLU QG 1 61 LYS H . . 4.980 3.626 3.347 4.329 . 0 0 "[ . 1 . 2]" 1
1472 1 60 GLU QG 1 61 LYS HA . . 5.390 3.621 3.287 4.907 . 0 0 "[ . 1 . 2]" 1
1473 1 60 GLU QG 1 63 CYS HB2 . . 4.720 4.067 3.835 4.239 . 0 0 "[ . 1 . 2]" 1
1474 1 60 GLU QG 1 80 ARG HA . . 4.280 3.902 3.635 4.155 . 0 0 "[ . 1 . 2]" 1
1475 1 60 GLU QG 1 80 ARG QG . . 4.570 2.245 2.113 2.343 . 0 0 "[ . 1 . 2]" 1
1476 1 60 GLU QG 1 83 ALA MB . . 4.240 3.602 3.115 3.939 . 0 0 "[ . 1 . 2]" 1
1477 1 60 GLU QG 1 84 ARG HE . . 3.570 2.516 2.237 3.216 . 0 0 "[ . 1 . 2]" 1
1478 1 60 GLU HG2 1 84 ARG HE . . 4.160 3.570 2.408 4.181 0.021 15 0 "[ . 1 . 2]" 1
1479 1 60 GLU HG3 1 84 ARG HE . . 4.160 2.591 2.281 3.343 . 0 0 "[ . 1 . 2]" 1
1480 1 61 LYS H 1 61 LYS QB . . 2.790 2.388 2.264 2.521 . 0 0 "[ . 1 . 2]" 1
1481 1 61 LYS H 1 61 LYS QE . . 4.630 4.092 3.932 4.262 . 0 0 "[ . 1 . 2]" 1
1482 1 61 LYS H 1 61 LYS HG2 . . 3.730 3.555 3.374 3.697 . 0 0 "[ . 1 . 2]" 1
1483 1 61 LYS H 1 61 LYS QG . . 2.960 2.207 2.094 2.340 . 0 0 "[ . 1 . 2]" 1
1484 1 61 LYS H 1 61 LYS HG3 . . 3.730 2.229 2.114 2.367 . 0 0 "[ . 1 . 2]" 1
1485 1 61 LYS H 1 62 ASP H . . 3.300 2.773 2.690 2.830 . 0 0 "[ . 1 . 2]" 1
1486 1 61 LYS H 1 62 ASP HA . . 5.440 5.434 5.378 5.457 0.017 6 0 "[ . 1 . 2]" 1
1487 1 61 LYS H 1 62 ASP HB2 . . 5.140 4.753 4.633 4.864 . 0 0 "[ . 1 . 2]" 1
1488 1 61 LYS H 1 63 CYS H . . 4.530 3.981 3.836 4.061 . 0 0 "[ . 1 . 2]" 1
1489 1 61 LYS H 1 87 LEU MD2 . . 5.480 5.306 5.072 5.483 0.003 12 0 "[ . 1 . 2]" 1
1490 1 61 LYS HA 1 61 LYS QE . . 4.710 4.647 4.452 4.725 0.015 19 0 "[ . 1 . 2]" 1
1491 1 61 LYS HA 1 61 LYS QG . . 3.260 2.468 2.377 2.540 . 0 0 "[ . 1 . 2]" 1
1492 1 61 LYS HA 1 63 CYS H . . 4.520 4.323 4.123 4.483 . 0 0 "[ . 1 . 2]" 1
1493 1 61 LYS HA 1 64 THR H . . 3.820 3.466 3.166 3.716 . 0 0 "[ . 1 . 2]" 1
1494 1 61 LYS HA 1 64 THR HB . . 3.790 2.765 2.597 2.997 . 0 0 "[ . 1 . 2]" 1
1495 1 61 LYS HA 1 65 GLN H . . 4.910 4.128 3.948 4.279 . 0 0 "[ . 1 . 2]" 1
1496 1 61 LYS QB 1 62 ASP H . . 3.170 2.420 2.255 2.555 . 0 0 "[ . 1 . 2]" 1
1497 1 61 LYS QB 1 63 CYS H . . 4.440 4.495 4.481 4.515 0.075 10 0 "[ . 1 . 2]" 1
1498 1 61 LYS QB 1 64 THR H . . 5.020 4.889 4.772 5.024 0.004 10 0 "[ . 1 . 2]" 1
1499 1 61 LYS QE 1 61 LYS QG . . 2.710 2.108 2.031 2.151 . 0 0 "[ . 1 . 2]" 1
1500 1 61 LYS QG 1 62 ASP H . . 4.920 4.110 3.924 4.268 . 0 0 "[ . 1 . 2]" 1
1501 1 62 ASP H 1 62 ASP HB2 . . 3.410 2.250 2.191 2.322 . 0 0 "[ . 1 . 2]" 1
1502 1 62 ASP H 1 62 ASP HB3 . . 3.770 3.543 3.473 3.598 . 0 0 "[ . 1 . 2]" 1
1503 1 62 ASP H 1 63 CYS H . . 3.400 2.595 2.456 2.675 . 0 0 "[ . 1 . 2]" 1
1504 1 62 ASP H 1 63 CYS HB2 . . 4.870 4.776 4.663 4.861 . 0 0 "[ . 1 . 2]" 1
1505 1 62 ASP H 1 64 THR H . . 4.420 4.246 4.098 4.337 . 0 0 "[ . 1 . 2]" 1
1506 1 62 ASP HA 1 65 GLN H . . 3.860 3.048 2.859 3.290 . 0 0 "[ . 1 . 2]" 1
1507 1 62 ASP HA 1 65 GLN QB . . 3.540 2.316 2.141 2.445 . 0 0 "[ . 1 . 2]" 1
1508 1 62 ASP HA 1 65 GLN HG2 . . 5.190 4.161 3.992 4.287 . 0 0 "[ . 1 . 2]" 1
1509 1 62 ASP HA 1 65 GLN HG3 . . 5.710 4.819 4.629 4.948 . 0 0 "[ . 1 . 2]" 1
1510 1 62 ASP HA 1 66 ALA H . . 4.790 4.030 3.911 4.190 . 0 0 "[ . 1 . 2]" 1
1511 1 62 ASP HB2 1 63 CYS H . . 3.950 3.058 2.875 3.227 . 0 0 "[ . 1 . 2]" 1
1512 1 62 ASP HB3 1 63 CYS H . . 4.110 3.615 3.447 3.734 . 0 0 "[ . 1 . 2]" 1
1513 1 63 CYS H 1 63 CYS HB2 . . 3.170 2.424 2.395 2.457 . 0 0 "[ . 1 . 2]" 1
1514 1 63 CYS H 1 63 CYS HB3 . . 3.830 3.637 3.618 3.652 . 0 0 "[ . 1 . 2]" 1
1515 1 63 CYS H 1 65 GLN H . . 4.210 4.033 3.910 4.106 . 0 0 "[ . 1 . 2]" 1
1516 1 63 CYS H 1 65 GLN QB . . 4.990 4.772 4.670 4.860 . 0 0 "[ . 1 . 2]" 1
1517 1 63 CYS H 1 76 ALA MB . . 6.000 5.621 5.449 5.838 . 0 0 "[ . 1 . 2]" 1
1518 1 63 CYS H 1 80 ARG HA . . 5.280 5.202 5.049 5.300 0.020 19 0 "[ . 1 . 2]" 1
1519 1 63 CYS H 1 80 ARG QG . . 4.800 4.574 4.242 4.803 0.003 3 0 "[ . 1 . 2]" 1
1520 1 63 CYS HA 1 65 GLN H . . 4.740 4.429 4.379 4.509 . 0 0 "[ . 1 . 2]" 1
1521 1 63 CYS HA 1 65 GLN QB . . 5.050 4.820 4.751 4.895 . 0 0 "[ . 1 . 2]" 1
1522 1 63 CYS HA 1 66 ALA H . . 3.970 3.294 3.157 3.366 . 0 0 "[ . 1 . 2]" 1
1523 1 63 CYS HA 1 66 ALA MB . . 3.420 2.716 2.576 2.869 . 0 0 "[ . 1 . 2]" 1
1524 1 63 CYS HA 1 67 ILE MD . . 4.700 4.193 4.133 4.296 . 0 0 "[ . 1 . 2]" 1
1525 1 63 CYS HA 1 76 ALA MB . . 3.910 3.110 2.931 3.331 . 0 0 "[ . 1 . 2]" 1
1526 1 63 CYS HA 1 80 ARG QB . . 5.540 4.400 4.360 4.459 . 0 0 "[ . 1 . 2]" 1
1527 1 63 CYS HB2 1 64 THR H . . 3.780 2.686 2.611 2.787 . 0 0 "[ . 1 . 2]" 1
1528 1 63 CYS HB2 1 65 GLN H . . 5.430 5.188 5.101 5.281 . 0 0 "[ . 1 . 2]" 1
1529 1 63 CYS HB2 1 66 ALA MB . . 5.920 5.204 5.077 5.292 . 0 0 "[ . 1 . 2]" 1
1530 1 63 CYS HB2 1 67 ILE MD . . 5.300 4.134 4.034 4.306 . 0 0 "[ . 1 . 2]" 1
1531 1 63 CYS HB3 1 64 THR H . . 4.080 3.549 3.509 3.594 . 0 0 "[ . 1 . 2]" 1
1532 1 63 CYS HB3 1 64 THR HA . . 5.230 4.547 4.448 4.625 . 0 0 "[ . 1 . 2]" 1
1533 1 63 CYS HB3 1 67 ILE MD . . 4.370 3.138 3.041 3.308 . 0 0 "[ . 1 . 2]" 1
1534 1 63 CYS HB3 1 67 ILE HG12 . . 6.000 5.498 5.358 5.644 . 0 0 "[ . 1 . 2]" 1
1535 1 63 CYS HB3 1 77 PHE HA . . 5.210 4.397 4.303 4.587 . 0 0 "[ . 1 . 2]" 1
1536 1 63 CYS HB3 1 80 ARG H . . 3.960 3.115 3.011 3.224 . 0 0 "[ . 1 . 2]" 1
1537 1 63 CYS HB3 1 80 ARG HA . . 4.110 3.487 3.311 3.651 . 0 0 "[ . 1 . 2]" 1
1538 1 63 CYS HB3 1 80 ARG QD . . 4.170 3.117 2.927 3.236 . 0 0 "[ . 1 . 2]" 1
1539 1 63 CYS HB3 1 80 ARG QG . . 4.840 3.395 3.153 3.544 . 0 0 "[ . 1 . 2]" 1
1540 1 63 CYS HG 1 80 ARG H . . 3.990 3.503 3.174 3.681 . 0 0 "[ . 1 . 2]" 1
1541 1 63 CYS HG 1 80 ARG HA . . 4.200 2.636 2.293 2.737 . 0 0 "[ . 1 . 2]" 1
1542 1 63 CYS HG 1 81 GLY H . . 5.660 5.594 5.218 5.679 0.019 17 0 "[ . 1 . 2]" 1
1543 1 63 CYS HG 1 83 ALA MB . . 4.540 3.273 3.134 3.388 . 0 0 "[ . 1 . 2]" 1
1544 1 64 THR H 1 64 THR HB . . 3.340 2.529 2.464 2.605 . 0 0 "[ . 1 . 2]" 1
1545 1 64 THR H 1 64 THR HG1 . . 3.840 3.166 2.142 3.438 . 0 0 "[ . 1 . 2]" 1
1546 1 64 THR H 1 64 THR MG . . 3.920 3.810 3.793 3.827 . 0 0 "[ . 1 . 2]" 1
1547 1 64 THR H 1 65 GLN H . . 3.380 2.870 2.812 2.942 . 0 0 "[ . 1 . 2]" 1
1548 1 64 THR H 1 65 GLN QB . . 4.640 4.634 4.569 4.649 0.009 17 0 "[ . 1 . 2]" 1
1549 1 64 THR H 1 66 ALA H . . 4.710 4.495 4.428 4.555 . 0 0 "[ . 1 . 2]" 1
1550 1 64 THR H 1 67 ILE MD . . 4.620 3.876 3.768 3.949 . 0 0 "[ . 1 . 2]" 1
1551 1 64 THR H 1 80 ARG QD . . 4.540 2.829 2.755 3.051 . 0 0 "[ . 1 . 2]" 1
1552 1 64 THR H 1 80 ARG QG . . 4.090 3.831 3.661 4.060 . 0 0 "[ . 1 . 2]" 1
1553 1 64 THR HA 1 64 THR MG . . 3.110 2.410 2.338 2.461 . 0 0 "[ . 1 . 2]" 1
1554 1 64 THR HA 1 67 ILE H . . 4.330 3.320 3.190 3.414 . 0 0 "[ . 1 . 2]" 1
1555 1 64 THR HA 1 67 ILE HB . . 3.780 2.581 2.460 2.734 . 0 0 "[ . 1 . 2]" 1
1556 1 64 THR HA 1 67 ILE MD . . 3.570 2.228 2.153 2.305 . 0 0 "[ . 1 . 2]" 1
1557 1 64 THR HA 1 67 ILE MG . . 4.140 3.983 3.893 4.134 . 0 0 "[ . 1 . 2]" 1
1558 1 64 THR HA 1 68 LEU H . . 4.570 4.222 4.107 4.327 . 0 0 "[ . 1 . 2]" 1
1559 1 64 THR HB 1 65 GLN H . . 3.590 2.713 2.610 2.791 . 0 0 "[ . 1 . 2]" 1
1560 1 64 THR HB 1 65 GLN QB . . 4.730 4.350 4.242 4.417 . 0 0 "[ . 1 . 2]" 1
1561 1 64 THR HB 1 66 ALA H . . 6.000 5.425 5.363 5.471 . 0 0 "[ . 1 . 2]" 1
1562 1 64 THR HG1 1 65 GLN H . . 4.700 4.665 4.205 4.740 0.040 9 0 "[ . 1 . 2]" 1
1563 1 64 THR MG 1 65 GLN H . . 3.820 3.476 3.360 3.618 . 0 0 "[ . 1 . 2]" 1
1564 1 64 THR MG 1 65 GLN HA . . 3.920 3.596 3.473 3.789 . 0 0 "[ . 1 . 2]" 1
1565 1 64 THR MG 1 67 ILE HB . . 4.190 3.582 3.349 3.735 . 0 0 "[ . 1 . 2]" 1
1566 1 64 THR MG 1 67 ILE MD . . 4.190 3.813 3.631 3.942 . 0 0 "[ . 1 . 2]" 1
1567 1 64 THR MG 1 68 LEU H . . 4.070 4.040 3.908 4.089 0.019 15 0 "[ . 1 . 2]" 1
1568 1 64 THR MG 1 68 LEU HG . . 3.520 2.558 2.401 2.679 . 0 0 "[ . 1 . 2]" 1
1569 1 64 THR MG 1 80 ARG QD . . 3.950 3.729 3.571 3.804 . 0 0 "[ . 1 . 2]" 1
1570 1 65 GLN H 1 65 GLN QB . . 3.010 2.292 2.247 2.309 . 0 0 "[ . 1 . 2]" 1
1571 1 65 GLN H 1 65 GLN HE21 . . 5.570 5.144 5.011 5.388 . 0 0 "[ . 1 . 2]" 1
1572 1 65 GLN H 1 65 GLN HE22 . . 6.000 5.991 5.892 6.025 0.025 10 0 "[ . 1 . 2]" 1
1573 1 65 GLN H 1 65 GLN HG2 . . 4.870 4.692 4.634 4.716 . 0 0 "[ . 1 . 2]" 1
1574 1 65 GLN H 1 65 GLN HG3 . . 4.520 4.528 4.516 4.540 0.020 13 0 "[ . 1 . 2]" 1
1575 1 65 GLN H 1 66 ALA H . . 3.260 3.025 2.987 3.061 . 0 0 "[ . 1 . 2]" 1
1576 1 65 GLN H 1 66 ALA MB . . 4.550 4.546 4.488 4.557 0.007 13 0 "[ . 1 . 2]" 1
1577 1 65 GLN H 1 67 ILE MD . . 5.120 5.092 5.007 5.128 0.008 6 0 "[ . 1 . 2]" 1
1578 1 65 GLN H 1 68 LEU HB2 . . 6.000 5.227 5.037 5.363 . 0 0 "[ . 1 . 2]" 1
1579 1 65 GLN H 1 68 LEU MD1 . . 4.640 4.131 3.780 4.318 . 0 0 "[ . 1 . 2]" 1
1580 1 65 GLN HA 1 65 GLN HE21 . . 4.040 2.573 2.408 2.866 . 0 0 "[ . 1 . 2]" 1
1581 1 65 GLN HA 1 65 GLN HE22 . . 4.370 3.319 3.216 3.386 . 0 0 "[ . 1 . 2]" 1
1582 1 65 GLN HA 1 65 GLN HG2 . . 4.060 3.790 3.742 3.817 . 0 0 "[ . 1 . 2]" 1
1583 1 65 GLN HA 1 65 GLN HG3 . . 3.600 3.110 3.036 3.143 . 0 0 "[ . 1 . 2]" 1
1584 1 65 GLN HA 1 68 LEU H . . 3.760 3.286 3.198 3.355 . 0 0 "[ . 1 . 2]" 1
1585 1 65 GLN HA 1 68 LEU HB2 . . 3.250 2.632 2.461 2.778 . 0 0 "[ . 1 . 2]" 1
1586 1 65 GLN HA 1 68 LEU MD1 . . 3.470 2.240 2.124 2.364 . 0 0 "[ . 1 . 2]" 1
1587 1 65 GLN QB 1 65 GLN HE21 . . 3.720 3.604 3.509 3.738 0.018 5 0 "[ . 1 . 2]" 1
1588 1 65 GLN QB 1 65 GLN HE22 . . 4.360 4.179 4.101 4.247 . 0 0 "[ . 1 . 2]" 1
1589 1 65 GLN QB 1 66 ALA H . . 3.400 2.601 2.528 2.676 . 0 0 "[ . 1 . 2]" 1
1590 1 65 GLN HE21 1 65 GLN HG3 . . 3.520 2.321 2.223 2.388 . 0 0 "[ . 1 . 2]" 1
1591 1 65 GLN HE21 1 66 ALA H . . 5.300 4.726 4.598 4.923 . 0 0 "[ . 1 . 2]" 1
1592 1 65 GLN HE21 1 68 LEU H . . 4.450 3.918 3.687 4.127 . 0 0 "[ . 1 . 2]" 1
1593 1 65 GLN HE21 1 68 LEU HB2 . . 4.110 2.391 2.210 2.558 . 0 0 "[ . 1 . 2]" 1
1594 1 65 GLN HE21 1 69 LEU MD1 . . 3.360 2.926 2.732 3.018 . 0 0 "[ . 1 . 2]" 1
1595 1 65 GLN HE21 1 69 LEU MD2 . . 3.210 2.522 2.356 2.654 . 0 0 "[ . 1 . 2]" 1
1596 1 65 GLN HE21 1 69 LEU HG . . 3.920 1.912 1.807 2.003 . 0 0 "[ . 1 . 2]" 1
1597 1 65 GLN HE22 1 65 GLN HG2 . . 4.090 4.080 4.046 4.102 0.012 6 0 "[ . 1 . 2]" 1
1598 1 65 GLN HE22 1 65 GLN HG3 . . 4.000 3.556 3.520 3.597 . 0 0 "[ . 1 . 2]" 1
1599 1 65 GLN HE22 1 68 LEU H . . 5.180 5.052 4.858 5.183 0.003 14 0 "[ . 1 . 2]" 1
1600 1 65 GLN HE22 1 68 LEU HB2 . . 4.360 2.878 2.684 3.050 . 0 0 "[ . 1 . 2]" 1
1601 1 65 GLN HE22 1 69 LEU MD1 . . 3.950 3.833 3.708 3.953 0.003 13 0 "[ . 1 . 2]" 1
1602 1 65 GLN HE22 1 69 LEU MD2 . . 3.290 2.584 2.449 2.734 . 0 0 "[ . 1 . 2]" 1
1603 1 65 GLN HE22 1 69 LEU HG . . 4.320 3.283 3.134 3.411 . 0 0 "[ . 1 . 2]" 1
1604 1 65 GLN HG2 1 66 ALA H . . 4.840 4.590 4.525 4.631 . 0 0 "[ . 1 . 2]" 1
1605 1 65 GLN HG2 1 66 ALA HA . . 5.410 5.252 5.199 5.326 . 0 0 "[ . 1 . 2]" 1
1606 1 65 GLN HG2 1 66 ALA MB . . 5.310 5.337 5.324 5.358 0.048 5 0 "[ . 1 . 2]" 1
1607 1 65 GLN HG2 1 69 LEU MD1 . . 4.430 3.613 3.488 3.784 . 0 0 "[ . 1 . 2]" 1
1608 1 65 GLN HG2 1 69 LEU MD2 . . 4.550 4.574 4.553 4.591 0.041 7 0 "[ . 1 . 2]" 1
1609 1 65 GLN HG3 1 66 ALA H . . 3.930 3.637 3.561 3.734 . 0 0 "[ . 1 . 2]" 1
1610 1 65 GLN HG3 1 66 ALA MB . . 4.610 4.393 4.347 4.464 . 0 0 "[ . 1 . 2]" 1
1611 1 65 GLN HG3 1 69 LEU MD1 . . 4.340 2.599 2.433 2.747 . 0 0 "[ . 1 . 2]" 1
1612 1 65 GLN HG3 1 69 LEU MD2 . . 4.530 3.720 3.668 3.776 . 0 0 "[ . 1 . 2]" 1
1613 1 66 ALA H 1 66 ALA MB . . 2.900 2.145 2.121 2.168 . 0 0 "[ . 1 . 2]" 1
1614 1 66 ALA H 1 67 ILE H . . 3.350 2.845 2.789 2.899 . 0 0 "[ . 1 . 2]" 1
1615 1 66 ALA H 1 67 ILE MD . . 5.180 4.919 4.827 5.012 . 0 0 "[ . 1 . 2]" 1
1616 1 66 ALA H 1 69 LEU H . . 5.230 5.082 4.951 5.173 . 0 0 "[ . 1 . 2]" 1
1617 1 66 ALA H 1 69 LEU MD1 . . 4.720 4.600 4.310 4.748 0.028 20 0 "[ . 1 . 2]" 1
1618 1 66 ALA H 1 76 ALA MB . . 4.120 4.147 4.116 4.165 0.045 19 0 "[ . 1 . 2]" 1
1619 1 66 ALA HA 1 69 LEU H . . 3.960 3.585 3.473 3.665 . 0 0 "[ . 1 . 2]" 1
1620 1 66 ALA HA 1 69 LEU HB2 . . 5.120 3.141 2.939 3.294 . 0 0 "[ . 1 . 2]" 1
1621 1 66 ALA HA 1 69 LEU HB3 . . 5.540 4.780 4.621 4.926 . 0 0 "[ . 1 . 2]" 1
1622 1 66 ALA HA 1 69 LEU MD1 . . 3.230 2.788 2.552 2.978 . 0 0 "[ . 1 . 2]" 1
1623 1 66 ALA HA 1 70 ASP H . . 3.950 3.850 3.612 3.964 0.014 20 0 "[ . 1 . 2]" 1
1624 1 66 ALA MB 1 67 ILE H . . 3.200 2.859 2.778 2.938 . 0 0 "[ . 1 . 2]" 1
1625 1 66 ALA MB 1 67 ILE HG13 . . 5.870 3.110 3.016 3.197 . 0 0 "[ . 1 . 2]" 1
1626 1 66 ALA MB 1 69 LEU MD1 . . 4.300 4.014 3.845 4.149 . 0 0 "[ . 1 . 2]" 1
1627 1 66 ALA MB 1 73 TYR H . . 5.940 5.490 5.304 5.635 . 0 0 "[ . 1 . 2]" 1
1628 1 66 ALA MB 1 73 TYR QD . . 4.020 2.833 2.633 3.196 . 0 0 "[ . 1 . 2]" 1
1629 1 66 ALA MB 1 73 TYR QE . . 4.450 4.147 3.976 4.455 0.005 19 0 "[ . 1 . 2]" 1
1630 1 66 ALA MB 1 76 ALA H . . 4.650 4.601 4.448 4.656 0.006 20 0 "[ . 1 . 2]" 1
1631 1 66 ALA MB 1 76 ALA MB . . 3.210 2.040 2.010 2.069 . 0 0 "[ . 1 . 2]" 1
1632 1 67 ILE H 1 67 ILE HB . . 3.150 2.414 2.369 2.471 . 0 0 "[ . 1 . 2]" 1
1633 1 67 ILE H 1 67 ILE MD . . 3.580 3.336 3.306 3.367 . 0 0 "[ . 1 . 2]" 1
1634 1 67 ILE H 1 67 ILE HG12 . . 4.010 3.888 3.836 3.969 . 0 0 "[ . 1 . 2]" 1
1635 1 67 ILE H 1 67 ILE HG13 . . 3.950 2.518 2.452 2.614 . 0 0 "[ . 1 . 2]" 1
1636 1 67 ILE H 1 67 ILE MG . . 3.840 3.783 3.755 3.806 . 0 0 "[ . 1 . 2]" 1
1637 1 67 ILE H 1 68 LEU H . . 3.450 2.365 2.315 2.411 . 0 0 "[ . 1 . 2]" 1
1638 1 67 ILE H 1 68 LEU HB2 . . 4.450 4.491 4.485 4.496 0.046 6 0 "[ . 1 . 2]" 1
1639 1 67 ILE H 1 69 LEU H . . 4.560 3.970 3.879 4.046 . 0 0 "[ . 1 . 2]" 1
1640 1 67 ILE H 1 70 ASP H . . 5.010 4.823 4.756 4.891 . 0 0 "[ . 1 . 2]" 1
1641 1 67 ILE H 1 71 GLY H . . 5.560 4.861 4.771 4.968 . 0 0 "[ . 1 . 2]" 1
1642 1 67 ILE H 1 76 ALA MB . . 3.870 3.697 3.605 3.743 . 0 0 "[ . 1 . 2]" 1
1643 1 67 ILE HA 1 67 ILE MD . . 3.950 3.917 3.900 3.948 . 0 0 "[ . 1 . 2]" 1
1644 1 67 ILE HA 1 67 ILE HG12 . . 3.830 2.785 2.738 2.828 . 0 0 "[ . 1 . 2]" 1
1645 1 67 ILE HA 1 67 ILE HG13 . . 3.830 2.828 2.792 2.876 . 0 0 "[ . 1 . 2]" 1
1646 1 67 ILE HA 1 67 ILE MG . . 3.370 2.429 2.396 2.465 . 0 0 "[ . 1 . 2]" 1
1647 1 67 ILE HA 1 68 LEU HB2 . . 5.990 5.725 5.698 5.771 . 0 0 "[ . 1 . 2]" 1
1648 1 67 ILE HA 1 69 LEU H . . 4.570 4.111 3.951 4.322 . 0 0 "[ . 1 . 2]" 1
1649 1 67 ILE HA 1 70 ASP H . . 3.850 3.643 3.517 3.834 . 0 0 "[ . 1 . 2]" 1
1650 1 67 ILE HA 1 71 GLY H . . 4.760 2.229 2.138 2.317 . 0 0 "[ . 1 . 2]" 1
1651 1 67 ILE HA 1 71 GLY HA2 . . 4.550 2.855 2.488 2.968 . 0 0 "[ . 1 . 2]" 1
1652 1 67 ILE HA 1 71 GLY HA3 . . 4.360 4.308 3.925 4.382 0.022 6 0 "[ . 1 . 2]" 1
1653 1 67 ILE HA 1 73 TYR H . . 4.780 4.089 3.984 4.228 . 0 0 "[ . 1 . 2]" 1
1654 1 67 ILE HA 1 76 ALA MB . . 3.950 3.880 3.826 3.942 . 0 0 "[ . 1 . 2]" 1
1655 1 67 ILE HA 1 77 PHE QE . . 5.230 4.359 4.208 4.506 . 0 0 "[ . 1 . 2]" 1
1656 1 67 ILE HB 1 67 ILE MD . . 3.220 2.261 2.236 2.285 . 0 0 "[ . 1 . 2]" 1
1657 1 67 ILE HB 1 68 LEU H . . 3.440 3.035 2.989 3.075 . 0 0 "[ . 1 . 2]" 1
1658 1 67 ILE HB 1 69 LEU H . . 5.420 5.245 5.151 5.334 . 0 0 "[ . 1 . 2]" 1
1659 1 67 ILE MD 1 67 ILE MG . . 3.040 2.161 2.148 2.181 . 0 0 "[ . 1 . 2]" 1
1660 1 67 ILE MD 1 68 LEU H . . 4.650 4.678 4.661 4.690 0.040 16 0 "[ . 1 . 2]" 1
1661 1 67 ILE MD 1 76 ALA H . . 5.860 5.297 5.218 5.406 . 0 0 "[ . 1 . 2]" 1
1662 1 67 ILE MD 1 76 ALA MB . . 3.340 2.971 2.866 3.095 . 0 0 "[ . 1 . 2]" 1
1663 1 67 ILE MD 1 77 PHE H . . 4.540 3.701 3.598 3.802 . 0 0 "[ . 1 . 2]" 1
1664 1 67 ILE MD 1 77 PHE HA . . 3.550 2.443 2.364 2.545 . 0 0 "[ . 1 . 2]" 1
1665 1 67 ILE MD 1 77 PHE QD . . 4.210 3.021 2.883 3.151 . 0 0 "[ . 1 . 2]" 1
1666 1 67 ILE MD 1 77 PHE QE . . 3.780 3.010 2.910 3.133 . 0 0 "[ . 1 . 2]" 1
1667 1 67 ILE MD 1 80 ARG H . . 4.590 4.113 3.968 4.215 . 0 0 "[ . 1 . 2]" 1
1668 1 67 ILE MD 1 80 ARG QB . . 4.480 2.727 2.588 2.789 . 0 0 "[ . 1 . 2]" 1
1669 1 67 ILE MD 1 80 ARG HD2 . . 4.560 3.858 3.722 3.947 . 0 0 "[ . 1 . 2]" 1
1670 1 67 ILE MD 1 80 ARG QD . . 3.780 2.547 2.405 2.648 . 0 0 "[ . 1 . 2]" 1
1671 1 67 ILE MD 1 80 ARG HD3 . . 4.560 2.584 2.435 2.690 . 0 0 "[ . 1 . 2]" 1
1672 1 67 ILE MD 1 80 ARG HE . . 4.700 3.202 3.102 3.314 . 0 0 "[ . 1 . 2]" 1
1673 1 67 ILE HG12 1 67 ILE MG . . 3.610 2.289 2.250 2.306 . 0 0 "[ . 1 . 2]" 1
1674 1 67 ILE HG12 1 76 ALA MB . . 4.690 2.930 2.902 2.971 . 0 0 "[ . 1 . 2]" 1
1675 1 67 ILE HG12 1 77 PHE H . . 4.440 3.988 3.918 4.059 . 0 0 "[ . 1 . 2]" 1
1676 1 67 ILE HG12 1 77 PHE HA . . 4.070 4.090 4.054 4.115 0.045 2 0 "[ . 1 . 2]" 1
1677 1 67 ILE HG12 1 80 ARG QD . . 5.810 5.421 5.246 5.523 . 0 0 "[ . 1 . 2]" 1
1678 1 67 ILE HG13 1 67 ILE MG . . 3.450 3.198 3.186 3.208 . 0 0 "[ . 1 . 2]" 1
1679 1 67 ILE HG13 1 68 LEU H . . 4.690 4.518 4.483 4.551 . 0 0 "[ . 1 . 2]" 1
1680 1 67 ILE HG13 1 70 ASP H . . 5.980 5.909 5.787 5.984 0.004 14 0 "[ . 1 . 2]" 1
1681 1 67 ILE HG13 1 76 ALA MB . . 3.810 2.309 2.247 2.361 . 0 0 "[ . 1 . 2]" 1
1682 1 67 ILE MG 1 68 LEU H . . 3.920 3.728 3.696 3.772 . 0 0 "[ . 1 . 2]" 1
1683 1 67 ILE MG 1 68 LEU HA . . 3.820 3.831 3.802 3.850 0.030 17 0 "[ . 1 . 2]" 1
1684 1 67 ILE MG 1 68 LEU HG . . 4.770 4.349 4.147 4.530 . 0 0 "[ . 1 . 2]" 1
1685 1 67 ILE MG 1 71 GLY H . . 4.160 3.526 3.392 3.819 . 0 0 "[ . 1 . 2]" 1
1686 1 67 ILE MG 1 71 GLY HA2 . . 3.780 2.277 2.073 2.380 . 0 0 "[ . 1 . 2]" 1
1687 1 67 ILE MG 1 71 GLY HA3 . . 3.830 3.749 3.440 3.847 0.017 16 0 "[ . 1 . 2]" 1
1688 1 67 ILE MG 1 73 TYR H . . 4.490 4.507 4.492 4.523 0.033 18 0 "[ . 1 . 2]" 1
1689 1 67 ILE MG 1 76 ALA MB . . 4.330 4.331 4.291 4.343 0.013 15 0 "[ . 1 . 2]" 1
1690 1 67 ILE MG 1 77 PHE HA . . 5.070 4.999 4.896 5.077 0.007 14 0 "[ . 1 . 2]" 1
1691 1 67 ILE MG 1 99 THR MG . . 4.800 4.353 4.235 4.467 . 0 0 "[ . 1 . 2]" 1
1692 1 68 LEU H 1 68 LEU HB2 . . 2.760 2.400 2.359 2.450 . 0 0 "[ . 1 . 2]" 1
1693 1 68 LEU H 1 68 LEU HB3 . . 4.100 3.618 3.598 3.637 . 0 0 "[ . 1 . 2]" 1
1694 1 68 LEU H 1 68 LEU MD1 . . 4.160 3.665 3.505 3.748 . 0 0 "[ . 1 . 2]" 1
1695 1 68 LEU H 1 68 LEU MD2 . . 4.350 3.730 3.595 3.906 . 0 0 "[ . 1 . 2]" 1
1696 1 68 LEU H 1 68 LEU HG . . 2.940 2.611 2.494 2.692 . 0 0 "[ . 1 . 2]" 1
1697 1 68 LEU H 1 69 LEU H . . 3.220 2.575 2.493 2.633 . 0 0 "[ . 1 . 2]" 1
1698 1 68 LEU H 1 69 LEU HB2 . . 5.570 4.804 4.661 4.926 . 0 0 "[ . 1 . 2]" 1
1699 1 68 LEU H 1 70 ASP H . . 4.290 4.349 4.332 4.373 0.083 15 0 "[ . 1 . 2]" 1
1700 1 68 LEU H 1 76 ALA MB . . 6.000 5.585 5.512 5.650 . 0 0 "[ . 1 . 2]" 1
1701 1 68 LEU HA 1 68 LEU MD2 . . 2.900 2.148 2.125 2.182 . 0 0 "[ . 1 . 2]" 1
1702 1 68 LEU HB2 1 68 LEU MD1 . . 3.020 2.331 2.316 2.349 . 0 0 "[ . 1 . 2]" 1
1703 1 68 LEU HB2 1 69 LEU H . . 3.290 2.853 2.701 2.995 . 0 0 "[ . 1 . 2]" 1
1704 1 68 LEU HB2 1 69 LEU MD2 . . 3.360 3.412 3.395 3.425 0.065 2 0 "[ . 1 . 2]" 1
1705 1 68 LEU HB3 1 68 LEU MD2 . . 3.530 2.360 2.289 2.414 . 0 0 "[ . 1 . 2]" 1
1706 1 68 LEU HB3 1 69 LEU H . . 4.170 3.735 3.621 3.864 . 0 0 "[ . 1 . 2]" 1
1707 1 69 LEU H 1 69 LEU HB2 . . 3.580 2.452 2.397 2.516 . 0 0 "[ . 1 . 2]" 1
1708 1 69 LEU H 1 69 LEU HB3 . . 3.780 3.608 3.582 3.641 . 0 0 "[ . 1 . 2]" 1
1709 1 69 LEU H 1 69 LEU MD1 . . 3.640 3.603 3.505 3.654 0.014 11 0 "[ . 1 . 2]" 1
1710 1 69 LEU H 1 69 LEU MD2 . . 3.290 3.236 3.168 3.300 0.010 5 0 "[ . 1 . 2]" 1
1711 1 69 LEU H 1 69 LEU HG . . 3.230 2.295 2.204 2.353 . 0 0 "[ . 1 . 2]" 1
1712 1 69 LEU H 1 70 ASP H . . 3.030 2.471 2.369 2.567 . 0 0 "[ . 1 . 2]" 1
1713 1 69 LEU H 1 70 ASP HA . . 5.390 5.154 5.068 5.248 . 0 0 "[ . 1 . 2]" 1
1714 1 69 LEU H 1 70 ASP QB . . 5.010 4.480 4.355 4.632 . 0 0 "[ . 1 . 2]" 1
1715 1 69 LEU H 1 71 GLY H . . 5.860 4.164 3.981 4.453 . 0 0 "[ . 1 . 2]" 1
1716 1 69 LEU H 1 71 GLY HA2 . . 5.640 5.589 5.459 5.658 0.018 19 0 "[ . 1 . 2]" 1
1717 1 69 LEU HA 1 69 LEU MD1 . . 4.060 3.874 3.826 3.922 . 0 0 "[ . 1 . 2]" 1
1718 1 69 LEU HA 1 69 LEU MD2 . . 2.450 2.255 2.144 2.342 . 0 0 "[ . 1 . 2]" 1
1719 1 69 LEU HA 1 69 LEU HG . . 3.460 3.249 3.179 3.306 . 0 0 "[ . 1 . 2]" 1
1720 1 69 LEU HA 1 70 ASP HA . . 4.670 4.628 4.531 4.664 . 0 0 "[ . 1 . 2]" 1
1721 1 69 LEU HB2 1 69 LEU MD1 . . 3.490 2.287 2.238 2.360 . 0 0 "[ . 1 . 2]" 1
1722 1 69 LEU HB2 1 69 LEU MD2 . . 3.350 3.214 3.200 3.228 . 0 0 "[ . 1 . 2]" 1
1723 1 69 LEU HB2 1 70 ASP H . . 3.620 2.244 2.130 2.295 . 0 0 "[ . 1 . 2]" 1
1724 1 69 LEU HB3 1 70 ASP H . . 3.730 3.424 3.232 3.520 . 0 0 "[ . 1 . 2]" 1
1725 1 69 LEU MD1 1 70 ASP H . . 4.070 4.137 4.115 4.164 0.094 16 0 "[ . 1 . 2]" 1
1726 1 69 LEU MD2 1 70 ASP H . . 4.700 4.542 4.470 4.583 . 0 0 "[ . 1 . 2]" 1
1727 1 69 LEU HG 1 70 ASP H . . 4.000 4.016 3.965 4.044 0.044 14 0 "[ . 1 . 2]" 1
1728 1 70 ASP H 1 70 ASP HB2 . . 3.650 2.824 2.672 2.932 . 0 0 "[ . 1 . 2]" 1
1729 1 70 ASP H 1 70 ASP HB3 . . 3.650 2.584 2.488 2.690 . 0 0 "[ . 1 . 2]" 1
1730 1 70 ASP H 1 71 GLY H . . 3.750 2.641 2.555 2.769 . 0 0 "[ . 1 . 2]" 1
1731 1 70 ASP H 1 71 GLY HA2 . . 4.970 4.766 4.657 4.851 . 0 0 "[ . 1 . 2]" 1
1732 1 70 ASP HA 1 71 GLY H . . 3.570 3.587 3.571 3.597 0.027 11 0 "[ . 1 . 2]" 1
1733 1 70 ASP HA 1 71 GLY HA3 . . 4.680 4.683 4.660 4.700 0.020 10 0 "[ . 1 . 2]" 1
1734 1 70 ASP HA 1 72 SER H . . 4.100 4.048 3.932 4.123 0.023 20 0 "[ . 1 . 2]" 1
1735 1 70 ASP HA 1 73 TYR H . . 5.640 5.543 5.302 5.649 0.009 19 0 "[ . 1 . 2]" 1
1736 1 70 ASP QB 1 71 GLY H . . 3.610 2.486 2.368 2.662 . 0 0 "[ . 1 . 2]" 1
1737 1 70 ASP QB 1 72 SER H . . 4.270 3.077 2.805 3.328 . 0 0 "[ . 1 . 2]" 1
1738 1 70 ASP QB 1 73 TYR H . . 4.060 3.324 3.078 3.571 . 0 0 "[ . 1 . 2]" 1
1739 1 70 ASP HB2 1 71 GLY H . . 4.160 3.886 3.740 4.000 . 0 0 "[ . 1 . 2]" 1
1740 1 70 ASP HB2 1 72 SER H . . 4.850 4.375 4.234 4.502 . 0 0 "[ . 1 . 2]" 1
1741 1 70 ASP HB3 1 71 GLY H . . 4.160 2.515 2.395 2.702 . 0 0 "[ . 1 . 2]" 1
1742 1 70 ASP HB3 1 72 SER H . . 4.850 3.145 2.846 3.429 . 0 0 "[ . 1 . 2]" 1
1743 1 71 GLY H 1 72 SER H . . 3.450 2.770 2.707 2.872 . 0 0 "[ . 1 . 2]" 1
1744 1 71 GLY H 1 72 SER HA . . 5.150 5.211 5.189 5.239 0.089 16 0 "[ . 1 . 2]" 1
1745 1 71 GLY H 1 73 TYR H . . 4.190 3.514 3.195 3.629 . 0 0 "[ . 1 . 2]" 1
1746 1 71 GLY HA2 1 73 TYR H . . 4.610 4.134 3.666 4.281 . 0 0 "[ . 1 . 2]" 1
1747 1 71 GLY HA2 1 99 THR MG . . 6.000 5.990 5.762 6.054 0.054 19 0 "[ . 1 . 2]" 1
1748 1 71 GLY HA3 1 73 TYR H . . 4.880 4.852 4.501 4.918 0.038 9 0 "[ . 1 . 2]" 1
1749 1 72 SER H 1 72 SER HB2 . . 3.890 3.792 3.688 3.863 . 0 0 "[ . 1 . 2]" 1
1750 1 72 SER H 1 72 SER HB3 . . 3.510 3.260 3.019 3.483 . 0 0 "[ . 1 . 2]" 1
1751 1 72 SER H 1 73 TYR H . . 3.030 2.145 2.043 2.292 . 0 0 "[ . 1 . 2]" 1
1752 1 72 SER H 1 73 TYR HB2 . . 4.190 3.645 3.384 3.761 . 0 0 "[ . 1 . 2]" 1
1753 1 72 SER H 1 73 TYR HB3 . . 5.010 4.482 4.312 4.723 . 0 0 "[ . 1 . 2]" 1
1754 1 72 SER H 1 77 PHE QE . . 4.650 4.277 4.029 4.657 0.007 14 0 "[ . 1 . 2]" 1
1755 1 72 SER H 1 103 LEU MD1 . . 5.840 4.799 4.664 4.978 . 0 0 "[ . 1 . 2]" 1
1756 1 72 SER H 1 103 LEU MD2 . . 4.580 4.595 4.550 4.621 0.041 10 0 "[ . 1 . 2]" 1
1757 1 72 SER HA 1 74 SER H . . 5.100 5.096 4.971 5.128 0.028 20 0 "[ . 1 . 2]" 1
1758 1 72 SER HA 1 103 LEU MD1 . . 3.640 2.837 2.562 3.095 . 0 0 "[ . 1 . 2]" 1
1759 1 72 SER HA 1 103 LEU MD2 . . 3.270 2.153 2.096 2.189 . 0 0 "[ . 1 . 2]" 1
1760 1 72 SER HB2 1 73 TYR H . . 4.340 4.362 4.296 4.385 0.045 14 0 "[ . 1 . 2]" 1
1761 1 72 SER HB2 1 73 TYR HA . . 4.710 4.682 4.513 4.761 0.051 15 0 "[ . 1 . 2]" 1
1762 1 72 SER HB2 1 103 LEU MD1 . . 4.950 4.136 3.881 4.447 . 0 0 "[ . 1 . 2]" 1
1763 1 72 SER HB2 1 103 LEU MD2 . . 3.090 2.565 2.242 2.885 . 0 0 "[ . 1 . 2]" 1
1764 1 72 SER HB3 1 73 TYR H . . 4.640 4.546 4.443 4.648 0.008 5 0 "[ . 1 . 2]" 1
1765 1 72 SER HB3 1 103 LEU MD1 . . 5.620 4.715 4.251 5.031 . 0 0 "[ . 1 . 2]" 1
1766 1 72 SER HB3 1 103 LEU MD2 . . 4.060 3.227 2.785 3.533 . 0 0 "[ . 1 . 2]" 1
1767 1 73 TYR H 1 73 TYR HB2 . . 3.200 2.429 2.203 2.594 . 0 0 "[ . 1 . 2]" 1
1768 1 73 TYR H 1 73 TYR HB3 . . 3.180 2.665 2.562 2.882 . 0 0 "[ . 1 . 2]" 1
1769 1 73 TYR H 1 74 SER H . . 4.310 4.294 4.208 4.326 0.016 5 0 "[ . 1 . 2]" 1
1770 1 73 TYR H 1 76 ALA MB . . 4.460 4.048 3.903 4.150 . 0 0 "[ . 1 . 2]" 1
1771 1 73 TYR H 1 77 PHE QE . . 3.630 3.498 3.217 3.631 0.001 1 0 "[ . 1 . 2]" 1
1772 1 73 TYR H 1 103 LEU MD1 . . 4.580 3.786 3.577 3.937 . 0 0 "[ . 1 . 2]" 1
1773 1 73 TYR H 1 103 LEU MD2 . . 4.690 4.409 4.282 4.525 . 0 0 "[ . 1 . 2]" 1
1774 1 73 TYR HA 1 73 TYR QD . . 3.340 2.052 1.991 2.280 . 0 0 "[ . 1 . 2]" 1
1775 1 73 TYR HA 1 73 TYR QE . . 4.210 4.256 4.192 4.277 0.067 7 0 "[ . 1 . 2]" 1
1776 1 73 TYR HA 1 74 SER H . . 3.000 2.203 2.116 2.251 . 0 0 "[ . 1 . 2]" 1
1777 1 73 TYR HA 1 74 SER HB3 . . 5.060 4.666 4.558 4.841 . 0 0 "[ . 1 . 2]" 1
1778 1 73 TYR HA 1 76 ALA H . . 5.080 4.380 4.211 4.520 . 0 0 "[ . 1 . 2]" 1
1779 1 73 TYR HA 1 76 ALA MB . . 4.800 4.582 4.424 4.755 . 0 0 "[ . 1 . 2]" 1
1780 1 73 TYR HA 1 103 LEU MD1 . . 4.930 3.964 3.815 4.123 . 0 0 "[ . 1 . 2]" 1
1781 1 73 TYR HA 1 103 LEU MD2 . . 5.040 4.729 4.613 4.808 . 0 0 "[ . 1 . 2]" 1
1782 1 73 TYR HB2 1 74 SER H . . 4.850 4.576 4.501 4.633 . 0 0 "[ . 1 . 2]" 1
1783 1 73 TYR HB2 1 76 ALA H . . 4.690 4.542 4.433 4.681 . 0 0 "[ . 1 . 2]" 1
1784 1 73 TYR HB2 1 76 ALA MB . . 4.350 3.717 3.433 3.946 . 0 0 "[ . 1 . 2]" 1
1785 1 73 TYR HB3 1 74 SER H . . 4.440 4.440 4.398 4.458 0.018 3 0 "[ . 1 . 2]" 1
1786 1 73 TYR HB3 1 76 ALA MB . . 4.190 2.290 2.066 2.500 . 0 0 "[ . 1 . 2]" 1
1787 1 73 TYR QD 1 74 SER H . . 3.430 2.670 2.520 2.782 . 0 0 "[ . 1 . 2]" 1
1788 1 73 TYR QD 1 74 SER HB3 . . 4.940 4.893 4.624 4.973 0.033 14 0 "[ . 1 . 2]" 1
1789 1 73 TYR QD 1 75 LYS H . . 3.720 2.719 2.363 3.049 . 0 0 "[ . 1 . 2]" 1
1790 1 73 TYR QD 1 76 ALA MB . . 3.520 2.893 2.679 3.374 . 0 0 "[ . 1 . 2]" 1
1791 1 73 TYR QE 1 74 SER H . . 4.760 4.715 4.581 4.766 0.006 3 0 "[ . 1 . 2]" 1
1792 1 73 TYR QE 1 75 LYS H . . 4.830 3.599 3.392 3.774 . 0 0 "[ . 1 . 2]" 1
1793 1 73 TYR QE 1 76 ALA H . . 4.530 4.518 4.387 4.554 0.024 5 0 "[ . 1 . 2]" 1
1794 1 73 TYR QE 1 76 ALA MB . . 4.680 4.188 4.005 4.587 . 0 0 "[ . 1 . 2]" 1
1795 1 74 SER H 1 74 SER HB2 . . 3.790 3.610 3.529 3.652 . 0 0 "[ . 1 . 2]" 1
1796 1 74 SER H 1 74 SER HB3 . . 3.380 2.506 2.369 2.662 . 0 0 "[ . 1 . 2]" 1
1797 1 74 SER H 1 75 LYS H . . 3.910 2.956 2.886 3.055 . 0 0 "[ . 1 . 2]" 1
1798 1 74 SER H 1 76 ALA H . . 5.000 4.423 4.284 4.522 . 0 0 "[ . 1 . 2]" 1
1799 1 74 SER H 1 76 ALA MB . . 5.440 5.199 5.104 5.319 . 0 0 "[ . 1 . 2]" 1
1800 1 74 SER H 1 77 PHE H . . 5.210 5.039 4.966 5.190 . 0 0 "[ . 1 . 2]" 1
1801 1 74 SER H 1 77 PHE QD . . 4.600 4.459 4.192 4.607 0.007 13 0 "[ . 1 . 2]" 1
1802 1 74 SER H 1 100 VAL MG2 . . 6.000 5.511 5.184 5.688 . 0 0 "[ . 1 . 2]" 1
1803 1 74 SER H 1 103 LEU HB2 . . 4.770 4.547 4.114 4.743 . 0 0 "[ . 1 . 2]" 1
1804 1 74 SER H 1 103 LEU MD1 . . 3.720 3.006 2.783 3.219 . 0 0 "[ . 1 . 2]" 1
1805 1 74 SER H 1 103 LEU MD2 . . 4.340 4.257 4.038 4.348 0.008 18 0 "[ . 1 . 2]" 1
1806 1 74 SER HA 1 74 SER HB3 . . 2.890 2.427 2.300 2.529 . 0 0 "[ . 1 . 2]" 1
1807 1 74 SER HA 1 77 PHE H . . 4.000 3.479 3.279 3.807 . 0 0 "[ . 1 . 2]" 1
1808 1 74 SER HA 1 77 PHE QD . . 4.650 3.008 2.685 3.312 . 0 0 "[ . 1 . 2]" 1
1809 1 74 SER HA 1 78 ALA H . . 4.150 3.973 3.893 4.154 0.004 10 0 "[ . 1 . 2]" 1
1810 1 74 SER HA 1 100 VAL HA . . 4.550 3.454 3.178 3.650 . 0 0 "[ . 1 . 2]" 1
1811 1 74 SER HA 1 100 VAL MG2 . . 3.740 3.045 2.679 3.198 . 0 0 "[ . 1 . 2]" 1
1812 1 74 SER HA 1 103 LEU HB2 . . 3.940 3.545 3.215 3.785 . 0 0 "[ . 1 . 2]" 1
1813 1 74 SER HA 1 103 LEU MD1 . . 3.570 2.320 2.165 2.447 . 0 0 "[ . 1 . 2]" 1
1814 1 74 SER HB2 1 75 LYS H . . 4.240 3.734 3.233 3.981 . 0 0 "[ . 1 . 2]" 1
1815 1 74 SER HB2 1 100 VAL HA . . 4.500 3.777 3.303 4.515 0.015 10 0 "[ . 1 . 2]" 1
1816 1 74 SER HB2 1 100 VAL MG1 . . 3.050 2.261 2.082 2.934 . 0 0 "[ . 1 . 2]" 1
1817 1 74 SER HB2 1 103 LEU MD1 . . 4.250 3.712 3.365 4.199 . 0 0 "[ . 1 . 2]" 1
1818 1 74 SER HB2 1 107 ASN HD21 . . 4.520 3.806 3.487 4.113 . 0 0 "[ . 1 . 2]" 1
1819 1 74 SER HB2 1 107 ASN HD22 . . 3.990 3.991 3.803 4.027 0.037 6 0 "[ . 1 . 2]" 1
1820 1 74 SER HB3 1 77 PHE QD . . 5.370 5.041 4.644 5.353 . 0 0 "[ . 1 . 2]" 1
1821 1 74 SER HB3 1 100 VAL HA . . 4.590 4.105 3.802 4.591 0.001 10 0 "[ . 1 . 2]" 1
1822 1 74 SER HB3 1 100 VAL MG1 . . 4.270 3.499 3.216 3.866 . 0 0 "[ . 1 . 2]" 1
1823 1 74 SER HB3 1 100 VAL MG2 . . 4.970 4.485 4.116 4.840 . 0 0 "[ . 1 . 2]" 1
1824 1 74 SER HB3 1 103 LEU HB2 . . 4.320 2.673 2.338 3.225 . 0 0 "[ . 1 . 2]" 1
1825 1 74 SER HB3 1 103 LEU MD1 . . 3.970 2.915 2.498 3.309 . 0 0 "[ . 1 . 2]" 1
1826 1 74 SER HB3 1 103 LEU MD2 . . 4.550 4.224 4.005 4.495 . 0 0 "[ . 1 . 2]" 1
1827 1 75 LYS H 1 75 LYS HB2 . . 4.000 2.497 2.235 2.665 . 0 0 "[ . 1 . 2]" 1
1828 1 75 LYS H 1 75 LYS HB3 . . 4.000 3.620 3.534 3.658 . 0 0 "[ . 1 . 2]" 1
1829 1 75 LYS H 1 75 LYS QE . . 4.650 4.229 3.723 4.664 0.014 8 0 "[ . 1 . 2]" 1
1830 1 75 LYS H 1 75 LYS HG2 . . 4.000 3.498 3.160 3.995 . 0 0 "[ . 1 . 2]" 1
1831 1 75 LYS H 1 75 LYS QG . . 3.510 2.276 1.963 2.704 . 0 0 "[ . 1 . 2]" 1
1832 1 75 LYS H 1 75 LYS HG3 . . 4.000 2.306 1.982 2.750 . 0 0 "[ . 1 . 2]" 1
1833 1 75 LYS H 1 76 ALA H . . 3.660 2.942 2.836 3.043 . 0 0 "[ . 1 . 2]" 1
1834 1 75 LYS H 1 103 LEU MD1 . . 5.110 4.963 4.857 5.115 0.005 18 0 "[ . 1 . 2]" 1
1835 1 75 LYS H 2 3 SER QB . . 4.700 3.661 3.261 4.089 . 0 0 "[ . 1 . 2]" 1
1836 1 75 LYS HA 1 78 ALA H . . 4.500 3.580 3.393 3.712 . 0 0 "[ . 1 . 2]" 1
1837 1 75 LYS QB 1 76 ALA H . . 3.910 2.768 2.619 2.913 . 0 0 "[ . 1 . 2]" 1
1838 1 75 LYS QE 1 75 LYS QG . . 3.370 2.114 2.068 2.177 . 0 0 "[ . 1 . 2]" 1
1839 1 75 LYS QE 2 3 SER HA . . 3.960 3.306 2.940 3.676 . 0 0 "[ . 1 . 2]" 1
1840 1 75 LYS QE 2 3 SER QB . . 3.270 2.229 1.950 2.944 . 0 0 "[ . 1 . 2]" 1
1841 1 75 LYS QG 1 76 ALA H . . 4.890 4.298 4.195 4.528 . 0 0 "[ . 1 . 2]" 1
1842 1 75 LYS QG 2 3 SER QB . . 4.590 2.148 2.004 2.383 . 0 0 "[ . 1 . 2]" 1
1843 1 76 ALA H 1 76 ALA MB . . 2.980 2.275 2.245 2.298 . 0 0 "[ . 1 . 2]" 1
1844 1 76 ALA H 1 77 PHE H . . 3.010 2.711 2.609 2.795 . 0 0 "[ . 1 . 2]" 1
1845 1 76 ALA H 1 77 PHE HB2 . . 5.230 4.737 4.634 4.837 . 0 0 "[ . 1 . 2]" 1
1846 1 76 ALA H 1 78 ALA H . . 4.950 4.275 4.193 4.355 . 0 0 "[ . 1 . 2]" 1
1847 1 76 ALA H 1 79 ARG H . . 5.040 4.753 4.667 4.818 . 0 0 "[ . 1 . 2]" 1
1848 1 76 ALA HA 1 79 ARG H . . 3.990 3.536 3.450 3.608 . 0 0 "[ . 1 . 2]" 1
1849 1 76 ALA HA 1 79 ARG HB3 . . 5.100 4.324 4.200 4.439 . 0 0 "[ . 1 . 2]" 1
1850 1 76 ALA HA 1 79 ARG HD3 . . 4.200 4.171 4.023 4.222 0.022 18 0 "[ . 1 . 2]" 1
1851 1 76 ALA MB 1 77 PHE H . . 3.510 2.638 2.563 2.694 . 0 0 "[ . 1 . 2]" 1
1852 1 76 ALA MB 1 77 PHE QD . . 4.310 3.786 3.662 3.930 . 0 0 "[ . 1 . 2]" 1
1853 1 76 ALA MB 1 78 ALA H . . 5.070 4.758 4.695 4.813 . 0 0 "[ . 1 . 2]" 1
1854 1 77 PHE H 1 77 PHE HB2 . . 3.620 2.315 2.290 2.345 . 0 0 "[ . 1 . 2]" 1
1855 1 77 PHE H 1 77 PHE HB3 . . 3.810 3.575 3.560 3.588 . 0 0 "[ . 1 . 2]" 1
1856 1 77 PHE H 1 78 ALA H . . 3.320 2.781 2.747 2.796 . 0 0 "[ . 1 . 2]" 1
1857 1 77 PHE H 1 78 ALA MB . . 4.340 4.349 4.345 4.353 0.013 3 0 "[ . 1 . 2]" 1
1858 1 77 PHE H 1 79 ARG H . . 4.820 4.232 4.181 4.256 . 0 0 "[ . 1 . 2]" 1
1859 1 77 PHE H 1 99 THR MG . . 6.000 5.644 5.531 5.799 . 0 0 "[ . 1 . 2]" 1
1860 1 77 PHE H 1 100 VAL MG2 . . 4.850 3.856 3.762 3.975 . 0 0 "[ . 1 . 2]" 1
1861 1 77 PHE H 1 103 LEU MD1 . . 4.910 4.242 4.047 4.375 . 0 0 "[ . 1 . 2]" 1
1862 1 77 PHE HA 1 77 PHE QD . . 3.880 2.731 2.627 2.800 . 0 0 "[ . 1 . 2]" 1
1863 1 77 PHE HA 1 77 PHE QE . . 4.640 4.538 4.487 4.592 . 0 0 "[ . 1 . 2]" 1
1864 1 77 PHE HA 1 79 ARG H . . 4.530 4.521 4.465 4.552 0.022 14 0 "[ . 1 . 2]" 1
1865 1 77 PHE HA 1 80 ARG H . . 3.650 3.289 3.217 3.342 . 0 0 "[ . 1 . 2]" 1
1866 1 77 PHE HA 1 80 ARG QB . . 4.570 2.776 2.754 2.805 . 0 0 "[ . 1 . 2]" 1
1867 1 77 PHE HA 1 80 ARG QD . . 5.580 4.705 4.598 4.777 . 0 0 "[ . 1 . 2]" 1
1868 1 77 PHE HA 1 80 ARG HE . . 4.940 4.075 3.973 4.180 . 0 0 "[ . 1 . 2]" 1
1869 1 77 PHE HA 1 80 ARG QG . . 4.890 4.900 4.877 4.916 0.026 14 0 "[ . 1 . 2]" 1
1870 1 77 PHE HA 1 81 GLY H . . 4.470 3.814 3.712 3.893 . 0 0 "[ . 1 . 2]" 1
1871 1 77 PHE HA 1 96 ASP HB3 . . 5.280 3.581 3.363 3.934 . 0 0 "[ . 1 . 2]" 1
1872 1 77 PHE HA 1 99 THR MG . . 5.320 5.301 5.217 5.337 0.017 6 0 "[ . 1 . 2]" 1
1873 1 77 PHE HA 1 100 VAL MG2 . . 5.150 4.044 4.000 4.118 . 0 0 "[ . 1 . 2]" 1
1874 1 77 PHE HB2 1 78 ALA H . . 3.890 2.736 2.668 2.784 . 0 0 "[ . 1 . 2]" 1
1875 1 77 PHE HB2 1 99 THR MG . . 4.310 4.091 3.985 4.263 . 0 0 "[ . 1 . 2]" 1
1876 1 77 PHE HB2 1 100 VAL MG1 . . 4.530 4.090 3.956 4.193 . 0 0 "[ . 1 . 2]" 1
1877 1 77 PHE HB2 1 100 VAL MG2 . . 3.590 2.216 2.133 2.323 . 0 0 "[ . 1 . 2]" 1
1878 1 77 PHE HB3 1 78 ALA H . . 4.110 3.403 3.367 3.460 . 0 0 "[ . 1 . 2]" 1
1879 1 77 PHE HB3 1 96 ASP HA . . 4.860 3.792 3.526 4.103 . 0 0 "[ . 1 . 2]" 1
1880 1 77 PHE HB3 1 99 THR MG . . 4.420 3.840 3.749 3.924 . 0 0 "[ . 1 . 2]" 1
1881 1 77 PHE HB3 1 100 VAL MG2 . . 3.640 2.193 2.140 2.279 . 0 0 "[ . 1 . 2]" 1
1882 1 77 PHE QD 1 81 GLY H . . 5.370 5.053 4.930 5.158 . 0 0 "[ . 1 . 2]" 1
1883 1 77 PHE QD 1 96 ASP HA . . 3.740 2.760 2.509 2.969 . 0 0 "[ . 1 . 2]" 1
1884 1 77 PHE QD 1 99 THR HB . . 4.940 3.122 2.931 3.280 . 0 0 "[ . 1 . 2]" 1
1885 1 77 PHE QD 1 99 THR MG . . 4.190 3.199 3.143 3.255 . 0 0 "[ . 1 . 2]" 1
1886 1 77 PHE QD 1 100 VAL H . . 5.380 4.771 4.679 4.889 . 0 0 "[ . 1 . 2]" 1
1887 1 77 PHE QD 1 100 VAL MG2 . . 3.910 3.679 3.571 3.783 . 0 0 "[ . 1 . 2]" 1
1888 1 77 PHE QD 1 103 LEU MD1 . . 4.310 2.355 2.269 2.452 . 0 0 "[ . 1 . 2]" 1
1889 1 77 PHE QD 1 103 LEU MD2 . . 4.470 4.348 4.220 4.439 . 0 0 "[ . 1 . 2]" 1
1890 1 77 PHE QE 1 80 ARG HE . . 5.110 4.682 4.511 4.949 . 0 0 "[ . 1 . 2]" 1
1891 1 77 PHE QE 1 96 ASP HA . . 4.200 4.056 3.863 4.200 0.000 8 0 "[ . 1 . 2]" 1
1892 1 77 PHE QE 1 99 THR MG . . 4.370 2.741 2.628 2.829 . 0 0 "[ . 1 . 2]" 1
1893 1 77 PHE QE 1 103 LEU MD1 . . 4.020 2.583 2.496 2.669 . 0 0 "[ . 1 . 2]" 1
1894 1 77 PHE QE 1 103 LEU MD2 . . 4.830 3.739 3.577 3.847 . 0 0 "[ . 1 . 2]" 1
1895 1 78 ALA H 1 78 ALA MB . . 2.770 2.188 2.172 2.215 . 0 0 "[ . 1 . 2]" 1
1896 1 78 ALA H 1 79 ARG H . . 3.660 2.853 2.830 2.887 . 0 0 "[ . 1 . 2]" 1
1897 1 78 ALA H 1 100 VAL MG1 . . 4.400 3.967 3.795 4.125 . 0 0 "[ . 1 . 2]" 1
1898 1 78 ALA H 1 100 VAL MG2 . . 3.210 2.543 2.429 2.626 . 0 0 "[ . 1 . 2]" 1
1899 1 78 ALA H 2 5 MET HB2 . . 5.810 5.803 5.664 5.849 0.039 16 0 "[ . 1 . 2]" 1
1900 1 78 ALA HA 1 81 GLY H . . 4.440 3.766 3.675 3.812 . 0 0 "[ . 1 . 2]" 1
1901 1 78 ALA HA 1 97 PHE HA . . 4.920 4.287 4.060 4.561 . 0 0 "[ . 1 . 2]" 1
1902 1 78 ALA HA 1 97 PHE QD . . 3.970 3.079 2.890 3.232 . 0 0 "[ . 1 . 2]" 1
1903 1 78 ALA HA 1 97 PHE QE . . 3.920 2.584 2.402 2.799 . 0 0 "[ . 1 . 2]" 1
1904 1 78 ALA HA 1 100 VAL MG1 . . 4.320 4.179 4.027 4.330 0.010 16 0 "[ . 1 . 2]" 1
1905 1 78 ALA HA 1 100 VAL MG2 . . 3.400 2.540 2.415 2.726 . 0 0 "[ . 1 . 2]" 1
1906 1 78 ALA HA 2 5 MET HB2 . . 5.210 4.992 4.856 5.130 . 0 0 "[ . 1 . 2]" 1
1907 1 78 ALA HA 2 5 MET HG3 . . 5.060 4.823 4.616 4.913 . 0 0 "[ . 1 . 2]" 1
1908 1 78 ALA MB 1 79 ARG H . . 3.250 2.561 2.502 2.629 . 0 0 "[ . 1 . 2]" 1
1909 1 78 ALA MB 1 79 ARG HE . . 4.870 4.781 4.646 4.879 0.009 18 0 "[ . 1 . 2]" 1
1910 1 78 ALA MB 1 97 PHE HA . . 5.240 4.955 4.800 5.108 . 0 0 "[ . 1 . 2]" 1
1911 1 78 ALA MB 1 97 PHE QD . . 3.970 3.878 3.754 4.011 0.041 19 0 "[ . 1 . 2]" 1
1912 1 78 ALA MB 1 97 PHE QE . . 3.990 3.325 3.118 3.468 . 0 0 "[ . 1 . 2]" 1
1913 1 78 ALA MB 1 100 VAL HB . . 4.330 4.341 4.279 4.362 0.032 3 0 "[ . 1 . 2]" 1
1914 1 78 ALA MB 1 100 VAL MG1 . . 3.490 2.776 2.672 2.890 . 0 0 "[ . 1 . 2]" 1
1915 1 78 ALA MB 1 100 VAL MG2 . . 3.000 2.340 2.280 2.435 . 0 0 "[ . 1 . 2]" 1
1916 1 78 ALA MB 1 109 GLN QB . . 4.460 3.046 2.745 3.211 . 0 0 "[ . 1 . 2]" 1
1917 1 78 ALA MB 1 109 GLN HG3 . . 4.990 3.957 3.078 4.313 . 0 0 "[ . 1 . 2]" 1
1918 1 78 ALA MB 2 4 ARG HA . . 5.050 4.988 4.592 5.080 0.030 18 0 "[ . 1 . 2]" 1
1919 1 78 ALA MB 2 5 MET HB2 . . 2.550 2.558 2.478 2.589 0.039 19 0 "[ . 1 . 2]" 1
1920 1 78 ALA MB 2 5 MET HG3 . . 3.010 2.968 2.879 3.022 0.012 17 0 "[ . 1 . 2]" 1
1921 1 79 ARG H 1 79 ARG HB2 . . 3.530 2.422 2.395 2.449 . 0 0 "[ . 1 . 2]" 1
1922 1 79 ARG H 1 79 ARG HD2 . . 4.290 3.633 3.581 3.727 . 0 0 "[ . 1 . 2]" 1
1923 1 79 ARG H 1 79 ARG HD3 . . 4.740 4.722 4.681 4.741 0.001 5 0 "[ . 1 . 2]" 1
1924 1 79 ARG H 1 79 ARG HE . . 5.230 4.709 4.588 4.838 . 0 0 "[ . 1 . 2]" 1
1925 1 79 ARG H 1 79 ARG HG2 . . 3.850 3.771 3.685 3.837 . 0 0 "[ . 1 . 2]" 1
1926 1 79 ARG H 1 79 ARG QG . . 3.290 2.386 2.329 2.452 . 0 0 "[ . 1 . 2]" 1
1927 1 79 ARG H 1 79 ARG HG3 . . 3.850 2.413 2.355 2.481 . 0 0 "[ . 1 . 2]" 1
1928 1 79 ARG H 1 80 ARG H . . 3.460 2.843 2.775 2.912 . 0 0 "[ . 1 . 2]" 1
1929 1 79 ARG H 1 81 GLY H . . 4.550 4.520 4.409 4.570 0.020 19 0 "[ . 1 . 2]" 1
1930 1 79 ARG H 2 5 MET ME . . 4.240 4.248 4.219 4.271 0.031 15 0 "[ . 1 . 2]" 1
1931 1 79 ARG H 2 5 MET HG2 . . 4.670 4.621 3.839 4.708 0.038 14 0 "[ . 1 . 2]" 1
1932 1 79 ARG HA 1 79 ARG HE . . 5.730 4.906 4.832 4.957 . 0 0 "[ . 1 . 2]" 1
1933 1 79 ARG HA 1 82 THR H . . 4.040 3.546 3.411 3.680 . 0 0 "[ . 1 . 2]" 1
1934 1 79 ARG HA 2 5 MET ME . . 2.840 2.002 1.968 2.039 . 0 0 "[ . 1 . 2]" 1
1935 1 79 ARG HA 2 5 MET HG3 . . 3.970 2.614 2.379 3.050 . 0 0 "[ . 1 . 2]" 1
1936 1 79 ARG HB2 1 79 ARG HE . . 4.460 4.401 4.353 4.445 . 0 0 "[ . 1 . 2]" 1
1937 1 79 ARG HB2 1 80 ARG H . . 3.640 2.891 2.805 2.945 . 0 0 "[ . 1 . 2]" 1
1938 1 79 ARG HB2 2 5 MET ME . . 4.000 3.951 3.907 4.007 0.007 17 0 "[ . 1 . 2]" 1
1939 1 79 ARG HB3 1 79 ARG HE . . 5.300 4.484 4.397 4.542 . 0 0 "[ . 1 . 2]" 1
1940 1 79 ARG HB3 2 5 MET ME . . 3.180 2.879 2.779 3.022 . 0 0 "[ . 1 . 2]" 1
1941 1 79 ARG HD2 2 5 MET ME . . 4.520 4.582 4.574 4.591 0.071 18 0 "[ . 1 . 2]" 1
1942 1 79 ARG HD3 2 5 MET ME . . 4.060 3.951 3.879 4.032 . 0 0 "[ . 1 . 2]" 1
1943 1 79 ARG HD3 2 5 MET HG2 . . 4.490 4.489 4.401 4.526 0.036 18 0 "[ . 1 . 2]" 1
1944 1 79 ARG HE 2 5 MET HB2 . . 5.430 4.902 4.726 5.108 . 0 0 "[ . 1 . 2]" 1
1945 1 79 ARG HE 2 5 MET ME . . 5.690 3.919 3.796 4.019 . 0 0 "[ . 1 . 2]" 1
1946 1 79 ARG HE 2 5 MET HG2 . . 4.100 2.829 2.667 3.127 . 0 0 "[ . 1 . 2]" 1
1947 1 79 ARG QG 2 5 MET HG3 . . 3.990 2.145 1.984 3.242 . 0 0 "[ . 1 . 2]" 1
1948 1 79 ARG HG2 2 5 MET ME . . 3.480 1.987 1.975 2.008 . 0 0 "[ . 1 . 2]" 1
1949 1 79 ARG HG3 2 5 MET ME . . 3.480 3.101 3.006 3.214 . 0 0 "[ . 1 . 2]" 1
1950 1 80 ARG H 1 80 ARG QB . . 3.770 2.258 2.234 2.278 . 0 0 "[ . 1 . 2]" 1
1951 1 80 ARG H 1 80 ARG HE . . 4.980 5.025 4.987 5.039 0.059 1 0 "[ . 1 . 2]" 1
1952 1 80 ARG H 1 80 ARG QG . . 3.930 3.937 3.920 3.948 0.018 11 0 "[ . 1 . 2]" 1
1953 1 80 ARG H 1 81 GLY H . . 3.600 2.800 2.727 2.879 . 0 0 "[ . 1 . 2]" 1
1954 1 80 ARG HA 1 80 ARG HE . . 5.030 4.779 4.697 4.843 . 0 0 "[ . 1 . 2]" 1
1955 1 80 ARG HA 1 80 ARG QG . . 3.790 2.183 2.143 2.210 . 0 0 "[ . 1 . 2]" 1
1956 1 80 ARG HA 1 82 THR H . . 5.000 4.593 4.492 4.741 . 0 0 "[ . 1 . 2]" 1
1957 1 80 ARG HA 1 83 ALA H . . 4.090 3.391 3.321 3.517 . 0 0 "[ . 1 . 2]" 1
1958 1 80 ARG HA 1 83 ALA MB . . 3.610 2.577 2.482 2.675 . 0 0 "[ . 1 . 2]" 1
1959 1 80 ARG QB 1 80 ARG HE . . 4.720 2.259 2.193 2.314 . 0 0 "[ . 1 . 2]" 1
1960 1 80 ARG QB 1 81 GLY H . . 4.230 2.451 2.398 2.516 . 0 0 "[ . 1 . 2]" 1
1961 1 80 ARG QB 1 100 VAL MG2 . . 5.400 5.346 5.257 5.411 0.011 8 0 "[ . 1 . 2]" 1
1962 1 80 ARG QD 1 81 GLY H . . 5.810 5.242 5.200 5.298 . 0 0 "[ . 1 . 2]" 1
1963 1 80 ARG QD 1 84 ARG HE . . 4.910 3.532 3.111 3.917 . 0 0 "[ . 1 . 2]" 1
1964 1 80 ARG QG 1 81 GLY H . . 4.160 3.821 3.737 3.928 . 0 0 "[ . 1 . 2]" 1
1965 1 80 ARG QG 1 84 ARG HE . . 3.990 3.053 2.242 3.289 . 0 0 "[ . 1 . 2]" 1
1966 1 81 GLY H 1 82 THR H . . 3.730 2.955 2.886 3.066 . 0 0 "[ . 1 . 2]" 1
1967 1 81 GLY H 1 83 ALA H . . 4.580 4.415 4.346 4.480 . 0 0 "[ . 1 . 2]" 1
1968 1 81 GLY H 1 83 ALA MB . . 5.200 4.937 4.880 4.975 . 0 0 "[ . 1 . 2]" 1
1969 1 81 GLY H 1 93 ALA MB . . 4.880 4.782 4.673 4.914 0.034 15 0 "[ . 1 . 2]" 1
1970 1 81 GLY H 1 96 ASP H . . 5.770 5.764 5.693 5.802 0.032 19 0 "[ . 1 . 2]" 1
1971 1 81 GLY H 1 96 ASP HB2 . . 4.000 3.409 3.306 3.542 . 0 0 "[ . 1 . 2]" 1
1972 1 81 GLY H 1 96 ASP HB3 . . 4.250 2.860 2.694 2.966 . 0 0 "[ . 1 . 2]" 1
1973 1 81 GLY H 1 97 PHE QD . . 5.730 5.123 4.904 5.245 . 0 0 "[ . 1 . 2]" 1
1974 1 81 GLY H 1 97 PHE QE . . 4.630 4.467 4.276 4.635 0.005 20 0 "[ . 1 . 2]" 1
1975 1 81 GLY H 1 100 VAL MG2 . . 4.990 4.766 4.620 4.893 . 0 0 "[ . 1 . 2]" 1
1976 1 81 GLY HA2 1 84 ARG H . . 4.660 3.827 3.554 3.957 . 0 0 "[ . 1 . 2]" 1
1977 1 81 GLY HA2 1 93 ALA H . . 4.610 4.624 4.561 4.645 0.035 5 0 "[ . 1 . 2]" 1
1978 1 81 GLY HA2 1 93 ALA HA . . 3.920 2.189 2.104 2.265 . 0 0 "[ . 1 . 2]" 1
1979 1 81 GLY HA2 1 93 ALA MB . . 3.730 2.456 2.353 2.660 . 0 0 "[ . 1 . 2]" 1
1980 1 81 GLY HA2 1 96 ASP H . . 4.770 4.573 4.462 4.671 . 0 0 "[ . 1 . 2]" 1
1981 1 81 GLY HA2 1 97 PHE QE . . 5.310 4.154 4.050 4.277 . 0 0 "[ . 1 . 2]" 1
1982 1 81 GLY HA3 1 93 ALA HA . . 3.870 3.378 3.191 3.537 . 0 0 "[ . 1 . 2]" 1
1983 1 81 GLY HA3 1 93 ALA MB . . 3.770 3.178 3.065 3.255 . 0 0 "[ . 1 . 2]" 1
1984 1 81 GLY HA3 1 97 PHE QE . . 5.110 3.258 3.123 3.367 . 0 0 "[ . 1 . 2]" 1
1985 1 82 THR H 1 82 THR HB . . 3.670 2.571 2.412 2.692 . 0 0 "[ . 1 . 2]" 1
1986 1 82 THR H 1 82 THR MG . . 3.950 3.797 3.773 3.812 . 0 0 "[ . 1 . 2]" 1
1987 1 82 THR H 1 83 ALA H . . 3.580 2.921 2.891 2.965 . 0 0 "[ . 1 . 2]" 1
1988 1 82 THR H 1 83 ALA MB . . 5.160 4.529 4.486 4.609 . 0 0 "[ . 1 . 2]" 1
1989 1 82 THR H 1 97 PHE QE . . 3.880 3.258 3.088 3.454 . 0 0 "[ . 1 . 2]" 1
1990 1 82 THR H 2 5 MET ME . . 4.420 4.411 4.305 4.437 0.017 5 0 "[ . 1 . 2]" 1
1991 1 82 THR HA 1 82 THR MG . . 3.100 2.365 2.275 2.490 . 0 0 "[ . 1 . 2]" 1
1992 1 82 THR HA 1 86 PHE QE . . 4.780 4.373 4.211 4.592 . 0 0 "[ . 1 . 2]" 1
1993 1 82 THR HA 1 97 PHE QE . . 4.320 3.687 3.516 3.882 . 0 0 "[ . 1 . 2]" 1
1994 1 82 THR HA 2 5 MET ME . . 5.290 4.866 4.702 4.988 . 0 0 "[ . 1 . 2]" 1
1995 1 82 THR HB 1 83 ALA H . . 3.550 2.714 2.552 2.927 . 0 0 "[ . 1 . 2]" 1
1996 1 82 THR HB 1 84 ARG H . . 5.580 5.472 5.310 5.601 0.021 16 0 "[ . 1 . 2]" 1
1997 1 82 THR HB 2 5 MET ME . . 3.250 2.431 2.310 2.571 . 0 0 "[ . 1 . 2]" 1
1998 1 82 THR MG 1 83 ALA H . . 3.670 3.513 3.440 3.651 . 0 0 "[ . 1 . 2]" 1
1999 1 82 THR MG 1 83 ALA HA . . 3.810 3.666 3.555 3.817 0.007 15 0 "[ . 1 . 2]" 1
2000 1 82 THR MG 1 85 THR HB . . 4.430 3.709 3.478 3.878 . 0 0 "[ . 1 . 2]" 1
2001 1 82 THR MG 1 86 PHE H . . 4.670 4.444 4.236 4.610 . 0 0 "[ . 1 . 2]" 1
2002 1 82 THR MG 1 86 PHE QD . . 3.580 2.980 2.802 3.130 . 0 0 "[ . 1 . 2]" 1
2003 1 82 THR MG 1 86 PHE QE . . 3.220 2.125 2.041 2.255 . 0 0 "[ . 1 . 2]" 1
2004 1 82 THR MG 2 5 MET ME . . 2.550 2.356 2.169 2.521 . 0 0 "[ . 1 . 2]" 1
2005 1 83 ALA H 1 83 ALA MB . . 2.950 2.214 2.193 2.235 . 0 0 "[ . 1 . 2]" 1
2006 1 83 ALA H 1 84 ARG H . . 3.580 2.967 2.817 3.053 . 0 0 "[ . 1 . 2]" 1
2007 1 83 ALA H 1 85 THR H . . 4.350 4.163 4.057 4.254 . 0 0 "[ . 1 . 2]" 1
2008 1 83 ALA H 1 86 PHE H . . 5.310 5.302 5.222 5.346 0.036 20 0 "[ . 1 . 2]" 1
2009 1 83 ALA H 1 86 PHE QE . . 5.750 5.707 5.602 5.754 0.004 6 0 "[ . 1 . 2]" 1
2010 1 83 ALA H 2 5 MET ME . . 3.980 3.961 3.812 4.000 0.020 17 0 "[ . 1 . 2]" 1
2011 1 83 ALA HA 1 85 THR H . . 4.310 4.312 4.264 4.330 0.020 12 0 "[ . 1 . 2]" 1
2012 1 83 ALA HA 1 86 PHE H . . 4.250 3.895 3.837 4.002 . 0 0 "[ . 1 . 2]" 1
2013 1 83 ALA HA 1 86 PHE QD . . 3.680 3.059 2.992 3.141 . 0 0 "[ . 1 . 2]" 1
2014 1 83 ALA HA 1 86 PHE QE . . 4.850 4.826 4.673 4.867 0.017 13 0 "[ . 1 . 2]" 1
2015 1 83 ALA MB 1 84 ARG H . . 3.250 2.274 2.198 2.440 . 0 0 "[ . 1 . 2]" 1
2016 1 83 ALA MB 1 84 ARG HG3 . . 4.620 3.288 3.173 4.177 . 0 0 "[ . 1 . 2]" 1
2017 1 83 ALA MB 1 85 THR H . . 4.560 4.394 4.341 4.417 . 0 0 "[ . 1 . 2]" 1
2018 1 83 ALA MB 1 86 PHE H . . 5.350 4.960 4.913 5.005 . 0 0 "[ . 1 . 2]" 1
2019 1 83 ALA MB 1 87 LEU MD2 . . 3.850 3.708 3.394 3.849 . 0 0 "[ . 1 . 2]" 1
2020 1 84 ARG H 1 84 ARG HB2 . . 3.820 2.281 2.246 2.426 . 0 0 "[ . 1 . 2]" 1
2021 1 84 ARG H 1 84 ARG HB3 . . 3.760 3.523 3.495 3.560 . 0 0 "[ . 1 . 2]" 1
2022 1 84 ARG H 1 84 ARG HD2 . . 4.840 3.929 3.821 4.714 . 0 0 "[ . 1 . 2]" 1
2023 1 84 ARG H 1 84 ARG QD . . 4.180 3.716 3.643 4.071 . 0 0 "[ . 1 . 2]" 1
2024 1 84 ARG H 1 84 ARG HD3 . . 4.840 4.620 4.451 4.698 . 0 0 "[ . 1 . 2]" 1
2025 1 84 ARG H 1 84 ARG HE . . 4.700 4.766 4.646 4.789 0.089 12 0 "[ . 1 . 2]" 1
2026 1 84 ARG H 1 84 ARG HG2 . . 3.630 3.272 2.289 3.429 . 0 0 "[ . 1 . 2]" 1
2027 1 84 ARG H 1 84 ARG HG3 . . 3.910 2.136 2.056 2.844 . 0 0 "[ . 1 . 2]" 1
2028 1 84 ARG H 1 85 THR H . . 3.620 2.873 2.662 2.927 . 0 0 "[ . 1 . 2]" 1
2029 1 84 ARG H 1 86 PHE H . . 4.750 4.744 4.656 4.774 0.024 2 0 "[ . 1 . 2]" 1
2030 1 84 ARG H 1 87 LEU H . . 5.040 4.688 4.608 4.785 . 0 0 "[ . 1 . 2]" 1
2031 1 84 ARG H 1 87 LEU MD2 . . 4.680 4.386 4.075 4.518 . 0 0 "[ . 1 . 2]" 1
2032 1 84 ARG H 1 93 ALA MB . . 3.910 3.914 3.867 3.951 0.041 15 0 "[ . 1 . 2]" 1
2033 1 84 ARG HA 1 84 ARG QD . . 4.820 3.967 3.101 4.052 . 0 0 "[ . 1 . 2]" 1
2034 1 84 ARG HA 1 84 ARG HE . . 5.080 4.565 4.352 5.156 0.076 15 0 "[ . 1 . 2]" 1
2035 1 84 ARG HA 1 84 ARG HG2 . . 3.730 2.385 2.294 2.648 . 0 0 "[ . 1 . 2]" 1
2036 1 84 ARG HA 1 84 ARG HG3 . . 4.150 2.994 2.885 3.751 . 0 0 "[ . 1 . 2]" 1
2037 1 84 ARG HA 1 87 LEU H . . 4.400 3.236 3.058 3.444 . 0 0 "[ . 1 . 2]" 1
2038 1 84 ARG HA 1 87 LEU HB3 . . 3.500 2.090 2.009 2.198 . 0 0 "[ . 1 . 2]" 1
2039 1 84 ARG HA 1 87 LEU MD1 . . 4.430 4.461 4.440 4.485 0.055 15 0 "[ . 1 . 2]" 1
2040 1 84 ARG HA 1 87 LEU MD2 . . 3.810 2.704 2.466 2.913 . 0 0 "[ . 1 . 2]" 1
2041 1 84 ARG HA 1 89 LYS H . . 4.610 3.431 3.296 3.557 . 0 0 "[ . 1 . 2]" 1
2042 1 84 ARG HA 1 89 LYS QB . . 4.390 2.825 2.635 2.950 . 0 0 "[ . 1 . 2]" 1
2043 1 84 ARG HA 1 89 LYS QG . . 4.510 3.798 3.624 3.922 . 0 0 "[ . 1 . 2]" 1
2044 1 84 ARG HB2 1 85 THR H . . 4.380 2.697 2.612 2.763 . 0 0 "[ . 1 . 2]" 1
2045 1 84 ARG HB3 1 89 LYS H . . 3.700 3.677 3.553 3.739 0.039 1 0 "[ . 1 . 2]" 1
2046 1 84 ARG QD 1 92 GLU H . . 4.820 4.244 4.090 4.407 . 0 0 "[ . 1 . 2]" 1
2047 1 84 ARG QD 1 92 GLU HB2 . . 4.690 2.207 2.097 2.334 . 0 0 "[ . 1 . 2]" 1
2048 1 84 ARG QD 1 93 ALA H . . 4.220 2.998 2.831 3.644 . 0 0 "[ . 1 . 2]" 1
2049 1 84 ARG HE 1 87 LEU MD2 . . 5.680 4.269 3.881 5.536 . 0 0 "[ . 1 . 2]" 1
2050 1 84 ARG HG2 1 85 THR H . . 4.940 4.946 4.437 4.987 0.047 18 0 "[ . 1 . 2]" 1
2051 1 84 ARG HG3 1 85 THR H . . 4.450 4.392 4.358 4.455 0.005 15 0 "[ . 1 . 2]" 1
2052 1 84 ARG HG3 1 93 ALA MB . . 3.850 3.957 3.619 3.997 0.147 17 0 "[ . 1 . 2]" 1
2053 1 85 THR H 1 85 THR HB . . 3.370 2.606 2.483 2.719 . 0 0 "[ . 1 . 2]" 1
2054 1 85 THR H 1 85 THR HG1 . . 4.110 2.067 1.997 2.131 . 0 0 "[ . 1 . 2]" 1
2055 1 85 THR H 1 85 THR MG . . 3.850 3.798 3.755 3.826 . 0 0 "[ . 1 . 2]" 1
2056 1 85 THR H 1 86 PHE H . . 3.490 2.837 2.697 2.923 . 0 0 "[ . 1 . 2]" 1
2057 1 85 THR H 1 86 PHE QD . . 4.800 4.660 4.192 4.819 0.019 18 0 "[ . 1 . 2]" 1
2058 1 85 THR H 1 87 LEU H . . 4.180 3.798 3.728 3.837 . 0 0 "[ . 1 . 2]" 1
2059 1 85 THR H 1 90 LEU MD1 . . 4.440 4.317 4.275 4.364 . 0 0 "[ . 1 . 2]" 1
2060 1 85 THR H 1 93 ALA MB . . 3.420 2.953 2.818 3.106 . 0 0 "[ . 1 . 2]" 1
2061 1 85 THR HA 1 85 THR MG . . 3.130 2.465 2.404 2.544 . 0 0 "[ . 1 . 2]" 1
2062 1 85 THR HA 1 87 LEU H . . 4.290 4.272 4.180 4.316 0.026 7 0 "[ . 1 . 2]" 1
2063 1 85 THR HA 1 88 GLY H . . 4.970 3.823 3.641 3.964 . 0 0 "[ . 1 . 2]" 1
2064 1 85 THR HA 1 90 LEU MD1 . . 2.930 2.032 1.964 2.074 . 0 0 "[ . 1 . 2]" 1
2065 1 85 THR HA 1 90 LEU MD2 . . 4.710 4.636 4.564 4.715 0.005 15 0 "[ . 1 . 2]" 1
2066 1 85 THR HB 1 86 PHE H . . 3.450 2.559 2.414 2.768 . 0 0 "[ . 1 . 2]" 1
2067 1 85 THR HB 1 90 LEU MD1 . . 4.020 3.986 3.906 4.037 0.017 13 0 "[ . 1 . 2]" 1
2068 1 85 THR HB 1 93 ALA MB . . 4.840 4.151 3.980 4.298 . 0 0 "[ . 1 . 2]" 1
2069 1 85 THR HB 1 117 ILE MD . . 5.470 4.815 4.487 5.205 . 0 0 "[ . 1 . 2]" 1
2070 1 85 THR HG1 1 86 PHE H . . 4.740 4.103 3.984 4.286 . 0 0 "[ . 1 . 2]" 1
2071 1 85 THR MG 1 86 PHE H . . 3.650 3.532 3.280 3.649 . 0 0 "[ . 1 . 2]" 1
2072 1 85 THR MG 1 87 LEU H . . 5.110 5.096 4.962 5.134 0.024 9 0 "[ . 1 . 2]" 1
2073 1 85 THR MG 1 88 GLY H . . 4.990 5.009 4.985 5.042 0.052 4 0 "[ . 1 . 2]" 1
2074 1 85 THR MG 1 90 LEU MD1 . . 2.960 1.957 1.923 2.021 . 0 0 "[ . 1 . 2]" 1
2075 1 85 THR MG 1 90 LEU HG . . 3.940 3.889 3.509 3.963 0.023 15 0 "[ . 1 . 2]" 1
2076 1 85 THR MG 1 93 ALA MB . . 3.630 3.652 3.604 3.667 0.037 14 0 "[ . 1 . 2]" 1
2077 1 85 THR MG 1 97 PHE QD . . 5.400 5.270 5.138 5.367 . 0 0 "[ . 1 . 2]" 1
2078 1 85 THR MG 1 97 PHE QE . . 3.640 3.645 3.510 3.665 0.025 8 0 "[ . 1 . 2]" 1
2079 1 85 THR MG 1 117 ILE MD . . 3.130 2.717 2.403 3.074 . 0 0 "[ . 1 . 2]" 1
2080 1 86 PHE H 1 86 PHE HB2 . . 3.690 2.497 2.445 2.564 . 0 0 "[ . 1 . 2]" 1
2081 1 86 PHE H 1 86 PHE QB . . 3.120 2.455 2.407 2.516 . 0 0 "[ . 1 . 2]" 1
2082 1 86 PHE H 1 86 PHE HB3 . . 3.690 3.632 3.591 3.661 . 0 0 "[ . 1 . 2]" 1
2083 1 86 PHE H 1 86 PHE QD . . 3.460 2.739 2.420 2.951 . 0 0 "[ . 1 . 2]" 1
2084 1 86 PHE H 1 86 PHE QE . . 4.430 4.456 4.432 4.479 0.049 4 0 "[ . 1 . 2]" 1
2085 1 86 PHE H 1 87 LEU H . . 3.370 2.544 2.454 2.601 . 0 0 "[ . 1 . 2]" 1
2086 1 86 PHE H 1 87 LEU HA . . 5.210 5.204 5.143 5.234 0.024 8 0 "[ . 1 . 2]" 1
2087 1 86 PHE H 1 87 LEU HB2 . . 4.620 4.527 4.438 4.628 0.008 15 0 "[ . 1 . 2]" 1
2088 1 86 PHE H 1 87 LEU HB3 . . 5.770 4.916 4.788 5.056 . 0 0 "[ . 1 . 2]" 1
2089 1 86 PHE H 1 87 LEU MD2 . . 6.000 5.916 5.775 6.004 0.004 9 0 "[ . 1 . 2]" 1
2090 1 86 PHE H 1 88 GLY H . . 4.210 4.200 4.099 4.255 0.045 4 0 "[ . 1 . 2]" 1
2091 1 86 PHE H 1 90 LEU MD1 . . 4.730 4.784 4.762 4.807 0.077 9 0 "[ . 1 . 2]" 1
2092 1 86 PHE HA 1 86 PHE QD . . 3.360 2.621 2.354 2.991 . 0 0 "[ . 1 . 2]" 1
2093 1 86 PHE HA 1 88 GLY H . . 4.580 3.933 3.703 4.285 . 0 0 "[ . 1 . 2]" 1
2094 1 86 PHE QB 1 87 LEU H . . 3.670 2.905 2.743 3.079 . 0 0 "[ . 1 . 2]" 1
2095 1 86 PHE HB2 1 87 LEU H . . 4.390 2.990 2.822 3.175 . 0 0 "[ . 1 . 2]" 1
2096 1 86 PHE HB3 1 87 LEU H . . 4.390 3.945 3.736 4.139 . 0 0 "[ . 1 . 2]" 1
2097 1 87 LEU H 1 87 LEU HB2 . . 3.160 2.312 2.226 2.394 . 0 0 "[ . 1 . 2]" 1
2098 1 87 LEU H 1 87 LEU HB3 . . 3.250 2.598 2.465 2.693 . 0 0 "[ . 1 . 2]" 1
2099 1 87 LEU H 1 87 LEU MD1 . . 4.120 3.963 3.864 4.038 . 0 0 "[ . 1 . 2]" 1
2100 1 87 LEU H 1 87 LEU MD2 . . 4.390 4.134 4.050 4.185 . 0 0 "[ . 1 . 2]" 1
2101 1 87 LEU H 1 88 GLY H . . 3.280 2.604 2.533 2.660 . 0 0 "[ . 1 . 2]" 1
2102 1 87 LEU H 1 88 GLY HA3 . . 5.320 5.335 5.295 5.350 0.030 19 0 "[ . 1 . 2]" 1
2103 1 87 LEU H 1 89 LYS H . . 3.930 3.890 3.759 3.949 0.019 12 0 "[ . 1 . 2]" 1
2104 1 87 LEU HA 1 87 LEU MD1 . . 2.780 2.117 2.061 2.176 . 0 0 "[ . 1 . 2]" 1
2105 1 87 LEU HA 1 87 LEU MD2 . . 3.840 3.853 3.843 3.860 0.020 8 0 "[ . 1 . 2]" 1
2106 1 87 LEU HA 1 87 LEU HG . . 3.920 3.072 2.956 3.212 . 0 0 "[ . 1 . 2]" 1
2107 1 87 LEU HA 1 89 LYS H . . 4.840 4.688 4.547 4.885 0.045 4 0 "[ . 1 . 2]" 1
2108 1 87 LEU HB2 1 87 LEU MD1 . . 3.080 2.352 2.321 2.390 . 0 0 "[ . 1 . 2]" 1
2109 1 87 LEU HB2 1 87 LEU MD2 . . 3.380 2.320 2.283 2.346 . 0 0 "[ . 1 . 2]" 1
2110 1 87 LEU HB2 1 88 GLY H . . 4.140 4.028 3.893 4.122 . 0 0 "[ . 1 . 2]" 1
2111 1 87 LEU HB3 1 88 GLY H . . 3.730 3.090 2.951 3.281 . 0 0 "[ . 1 . 2]" 1
2112 1 87 LEU HB3 1 88 GLY HA2 . . 5.260 5.075 4.933 5.203 . 0 0 "[ . 1 . 2]" 1
2113 1 87 LEU HB3 1 89 LYS H . . 3.420 2.743 2.599 2.971 . 0 0 "[ . 1 . 2]" 1
2114 1 87 LEU MD1 1 88 GLY H . . 4.800 4.802 4.707 4.835 0.035 16 0 "[ . 1 . 2]" 1
2115 1 87 LEU MD2 1 88 GLY H . . 5.170 4.898 4.772 5.064 . 0 0 "[ . 1 . 2]" 1
2116 1 87 LEU MD2 1 89 LYS H . . 4.280 4.138 3.934 4.303 0.023 17 0 "[ . 1 . 2]" 1
2117 1 88 GLY H 1 89 LYS H . . 3.200 2.322 2.175 2.435 . 0 0 "[ . 1 . 2]" 1
2118 1 88 GLY H 1 89 LYS QG . . 4.360 4.365 4.265 4.399 0.039 4 0 "[ . 1 . 2]" 1
2119 1 88 GLY H 1 90 LEU H . . 4.490 4.505 4.451 4.529 0.039 16 0 "[ . 1 . 2]" 1
2120 1 88 GLY H 1 90 LEU MD1 . . 4.550 4.129 3.734 4.355 . 0 0 "[ . 1 . 2]" 1
2121 1 88 GLY HA2 1 90 LEU H . . 4.450 3.618 3.433 3.769 . 0 0 "[ . 1 . 2]" 1
2122 1 88 GLY HA2 1 90 LEU QB . . 5.600 3.783 3.531 4.257 . 0 0 "[ . 1 . 2]" 1
2123 1 88 GLY HA2 1 90 LEU MD1 . . 4.750 3.831 3.332 4.223 . 0 0 "[ . 1 . 2]" 1
2124 1 88 GLY HA3 1 90 LEU H . . 5.100 4.504 4.364 4.718 . 0 0 "[ . 1 . 2]" 1
2125 1 88 GLY HA3 1 90 LEU MD1 . . 6.000 5.336 4.776 5.735 . 0 0 "[ . 1 . 2]" 1
2126 1 89 LYS H 1 89 LYS QB . . 3.340 2.523 2.436 2.665 . 0 0 "[ . 1 . 2]" 1
2127 1 89 LYS H 1 89 LYS QG . . 3.190 2.651 2.463 2.960 . 0 0 "[ . 1 . 2]" 1
2128 1 89 LYS H 1 90 LEU H . . 3.700 3.276 3.092 3.387 . 0 0 "[ . 1 . 2]" 1
2129 1 89 LYS H 1 90 LEU MD1 . . 5.090 4.475 4.062 4.707 . 0 0 "[ . 1 . 2]" 1
2130 1 89 LYS HA 1 89 LYS QD . . 3.940 3.898 3.832 3.939 . 0 0 "[ . 1 . 2]" 1
2131 1 89 LYS HA 1 89 LYS QG . . 3.420 2.452 2.388 2.538 . 0 0 "[ . 1 . 2]" 1
2132 1 89 LYS HA 1 90 LEU H . . 3.020 2.593 2.522 2.655 . 0 0 "[ . 1 . 2]" 1
2133 1 89 LYS HA 1 90 LEU MD1 . . 5.650 5.422 4.931 5.571 . 0 0 "[ . 1 . 2]" 1
2134 1 89 LYS HA 1 91 ASN H . . 4.740 3.849 3.671 4.042 . 0 0 "[ . 1 . 2]" 1
2135 1 89 LYS HA 1 92 GLU H . . 5.190 3.830 3.729 3.892 . 0 0 "[ . 1 . 2]" 1
2136 1 89 LYS QB 1 92 GLU H . . 3.900 3.298 3.168 3.405 . 0 0 "[ . 1 . 2]" 1
2137 1 89 LYS QB 1 93 ALA H . . 3.740 3.621 3.481 3.725 . 0 0 "[ . 1 . 2]" 1
2138 1 89 LYS QD 1 92 GLU H . . 5.060 5.070 4.887 5.110 0.050 7 0 "[ . 1 . 2]" 1
2139 1 89 LYS QG 1 90 LEU H . . 4.670 4.518 4.422 4.595 . 0 0 "[ . 1 . 2]" 1
2140 1 89 LYS QG 1 92 GLU H . . 5.090 5.106 5.068 5.124 0.034 11 0 "[ . 1 . 2]" 1
2141 1 90 LEU H 1 90 LEU HB2 . . 3.150 2.054 1.945 2.090 . 0 0 "[ . 1 . 2]" 1
2142 1 90 LEU H 1 90 LEU HB3 . . 3.150 2.885 2.773 3.178 0.028 6 0 "[ . 1 . 2]" 1
2143 1 90 LEU H 1 90 LEU MD1 . . 3.510 3.446 2.888 3.534 0.024 7 0 "[ . 1 . 2]" 1
2144 1 90 LEU H 1 90 LEU MD2 . . 4.190 4.081 3.817 4.174 . 0 0 "[ . 1 . 2]" 1
2145 1 90 LEU H 1 91 ASN H . . 3.410 2.889 2.709 3.042 . 0 0 "[ . 1 . 2]" 1
2146 1 90 LEU H 1 91 ASN HB2 . . 4.980 4.894 4.649 4.993 0.013 13 0 "[ . 1 . 2]" 1
2147 1 90 LEU H 1 92 GLU H . . 4.520 4.292 4.166 4.382 . 0 0 "[ . 1 . 2]" 1
2148 1 90 LEU H 1 93 ALA H . . 4.930 4.733 4.672 4.773 . 0 0 "[ . 1 . 2]" 1
2149 1 90 LEU HA 1 90 LEU MD1 . . 2.870 2.066 2.016 2.109 . 0 0 "[ . 1 . 2]" 1
2150 1 90 LEU HA 1 90 LEU MD2 . . 3.810 3.812 3.779 3.823 0.013 19 0 "[ . 1 . 2]" 1
2151 1 90 LEU HA 1 90 LEU HG . . 3.540 2.754 2.585 2.817 . 0 0 "[ . 1 . 2]" 1
2152 1 90 LEU HA 1 92 GLU H . . 4.630 4.359 4.208 4.482 . 0 0 "[ . 1 . 2]" 1
2153 1 90 LEU HA 1 93 ALA H . . 4.320 3.365 3.282 3.444 . 0 0 "[ . 1 . 2]" 1
2154 1 90 LEU HA 1 93 ALA MB . . 3.560 2.422 2.302 2.520 . 0 0 "[ . 1 . 2]" 1
2155 1 90 LEU QB 1 90 LEU MD1 . . 2.730 2.254 2.204 2.362 . 0 0 "[ . 1 . 2]" 1
2156 1 90 LEU HB2 1 90 LEU MD1 . . 3.200 2.301 2.245 2.429 . 0 0 "[ . 1 . 2]" 1
2157 1 90 LEU HB2 1 90 LEU MD2 . . 3.060 2.368 2.272 2.427 . 0 0 "[ . 1 . 2]" 1
2158 1 90 LEU HB2 1 91 ASN H . . 3.730 3.608 3.182 3.717 . 0 0 "[ . 1 . 2]" 1
2159 1 90 LEU HB3 1 90 LEU MD1 . . 3.200 3.220 3.211 3.229 0.029 5 0 "[ . 1 . 2]" 1
2160 1 90 LEU HB3 1 90 LEU MD2 . . 3.060 2.277 2.240 2.308 . 0 0 "[ . 1 . 2]" 1
2161 1 90 LEU HB3 1 91 ASN H . . 3.730 2.711 2.603 2.774 . 0 0 "[ . 1 . 2]" 1
2162 1 90 LEU MD1 1 91 ASN H . . 4.790 4.745 4.595 4.796 0.006 15 0 "[ . 1 . 2]" 1
2163 1 90 LEU MD1 1 92 GLU H . . 5.910 5.815 5.611 5.925 0.015 13 0 "[ . 1 . 2]" 1
2164 1 90 LEU MD1 1 93 ALA H . . 4.790 4.801 4.761 4.823 0.033 16 0 "[ . 1 . 2]" 1
2165 1 90 LEU MD2 1 91 ASN H . . 4.540 4.555 4.489 4.576 0.036 12 0 "[ . 1 . 2]" 1
2166 1 90 LEU HG 1 91 ASN H . . 4.750 4.516 4.355 4.772 0.022 6 0 "[ . 1 . 2]" 1
2167 1 91 ASN H 1 91 ASN HB2 . . 3.160 2.336 2.225 2.434 . 0 0 "[ . 1 . 2]" 1
2168 1 91 ASN H 1 91 ASN HB3 . . 3.590 3.555 3.499 3.596 0.006 6 0 "[ . 1 . 2]" 1
2169 1 91 ASN H 1 91 ASN HD21 . . 4.370 3.781 3.102 4.211 . 0 0 "[ . 1 . 2]" 1
2170 1 91 ASN H 1 91 ASN HD22 . . 4.630 4.324 4.110 4.561 . 0 0 "[ . 1 . 2]" 1
2171 1 91 ASN H 1 92 GLU H . . 3.290 2.766 2.664 2.931 . 0 0 "[ . 1 . 2]" 1
2172 1 91 ASN H 1 92 GLU HA . . 5.550 5.426 5.330 5.553 0.003 6 0 "[ . 1 . 2]" 1
2173 1 91 ASN H 1 92 GLU HG2 . . 4.810 4.437 4.214 4.605 . 0 0 "[ . 1 . 2]" 1
2174 1 91 ASN H 1 92 GLU HG3 . . 5.900 5.891 5.779 5.928 0.028 6 0 "[ . 1 . 2]" 1
2175 1 91 ASN H 1 93 ALA H . . 4.450 4.183 4.032 4.369 . 0 0 "[ . 1 . 2]" 1
2176 1 91 ASN H 1 94 LYS H . . 5.180 4.727 4.530 4.893 . 0 0 "[ . 1 . 2]" 1
2177 1 91 ASN HA 1 91 ASN HD21 . . 4.660 4.442 4.217 4.525 . 0 0 "[ . 1 . 2]" 1
2178 1 91 ASN HA 1 91 ASN HD22 . . 5.130 4.633 4.410 4.723 . 0 0 "[ . 1 . 2]" 1
2179 1 91 ASN HA 1 93 ALA H . . 4.840 4.516 4.319 4.747 . 0 0 "[ . 1 . 2]" 1
2180 1 91 ASN HA 1 94 LYS H . . 3.900 3.399 3.066 3.698 . 0 0 "[ . 1 . 2]" 1
2181 1 91 ASN HA 1 94 LYS QD . . 3.660 3.252 2.923 3.671 0.011 11 0 "[ . 1 . 2]" 1
2182 1 91 ASN HA 1 95 GLN H . . 5.030 4.582 4.237 5.033 0.003 16 0 "[ . 1 . 2]" 1
2183 1 91 ASN HA 1 95 GLN HG3 . . 5.450 4.872 4.626 5.204 . 0 0 "[ . 1 . 2]" 1
2184 1 91 ASN HA 1 117 ILE MG . . 4.690 3.905 3.453 4.432 . 0 0 "[ . 1 . 2]" 1
2185 1 91 ASN HB2 1 91 ASN HD21 . . 3.240 2.304 2.200 2.461 . 0 0 "[ . 1 . 2]" 1
2186 1 91 ASN HB2 1 91 ASN HD22 . . 3.640 3.540 3.503 3.612 . 0 0 "[ . 1 . 2]" 1
2187 1 91 ASN HB2 1 92 GLU H . . 3.390 2.808 2.591 3.073 . 0 0 "[ . 1 . 2]" 1
2188 1 91 ASN HB2 1 92 GLU HA . . 5.570 4.696 4.444 4.955 . 0 0 "[ . 1 . 2]" 1
2189 1 91 ASN HB3 1 91 ASN HD21 . . 3.320 2.886 2.585 3.273 . 0 0 "[ . 1 . 2]" 1
2190 1 91 ASN HB3 1 91 ASN HD22 . . 3.960 3.783 3.623 3.969 0.009 7 0 "[ . 1 . 2]" 1
2191 1 91 ASN HB3 1 92 GLU H . . 3.590 3.611 3.525 3.660 0.070 7 0 "[ . 1 . 2]" 1
2192 1 91 ASN HB3 1 92 GLU HA . . 4.480 4.445 4.260 4.500 0.020 12 0 "[ . 1 . 2]" 1
2193 1 91 ASN HB3 1 94 LYS H . . 5.530 5.407 5.212 5.555 0.025 19 0 "[ . 1 . 2]" 1
2194 1 91 ASN HD21 1 92 GLU H . . 5.070 5.059 4.825 5.115 0.045 13 0 "[ . 1 . 2]" 1
2195 1 92 GLU H 1 92 GLU HB2 . . 3.440 2.472 2.384 2.568 . 0 0 "[ . 1 . 2]" 1
2196 1 92 GLU H 1 92 GLU HB3 . . 3.600 3.601 3.571 3.616 0.016 17 0 "[ . 1 . 2]" 1
2197 1 92 GLU H 1 92 GLU HG2 . . 3.330 2.253 2.140 2.357 . 0 0 "[ . 1 . 2]" 1
2198 1 92 GLU H 1 92 GLU HG3 . . 3.600 3.563 3.438 3.618 0.018 19 0 "[ . 1 . 2]" 1
2199 1 92 GLU H 1 93 ALA H . . 3.240 2.583 2.451 2.704 . 0 0 "[ . 1 . 2]" 1
2200 1 92 GLU H 1 93 ALA MB . . 4.580 4.230 4.092 4.350 . 0 0 "[ . 1 . 2]" 1
2201 1 92 GLU H 1 94 LYS H . . 4.490 4.125 3.997 4.304 . 0 0 "[ . 1 . 2]" 1
2202 1 92 GLU H 1 95 GLN H . . 5.230 4.975 4.830 5.116 . 0 0 "[ . 1 . 2]" 1
2203 1 92 GLU HA 1 95 GLN H . . 3.710 3.375 3.191 3.571 . 0 0 "[ . 1 . 2]" 1
2204 1 92 GLU HA 1 95 GLN HE21 . . 4.270 2.559 2.307 3.257 . 0 0 "[ . 1 . 2]" 1
2205 1 92 GLU HA 1 95 GLN HE22 . . 4.580 2.733 2.421 3.304 . 0 0 "[ . 1 . 2]" 1
2206 1 92 GLU HA 1 95 GLN HG2 . . 4.830 4.771 4.577 4.854 0.024 4 0 "[ . 1 . 2]" 1
2207 1 92 GLU HA 1 95 GLN HG3 . . 4.260 3.630 3.381 3.798 . 0 0 "[ . 1 . 2]" 1
2208 1 92 GLU HA 1 96 ASP H . . 5.060 4.616 4.206 4.999 . 0 0 "[ . 1 . 2]" 1
2209 1 92 GLU HB2 1 93 ALA H . . 3.570 2.696 2.628 2.759 . 0 0 "[ . 1 . 2]" 1
2210 1 92 GLU HB2 1 93 ALA MB . . 4.140 4.105 4.004 4.151 0.011 10 0 "[ . 1 . 2]" 1
2211 1 92 GLU HB3 1 93 ALA H . . 3.720 3.749 3.723 3.766 0.046 7 0 "[ . 1 . 2]" 1
2212 1 92 GLU HG2 1 93 ALA H . . 4.410 4.341 4.160 4.420 0.010 8 0 "[ . 1 . 2]" 1
2213 1 92 GLU HG3 1 93 ALA H . . 4.930 4.933 4.814 4.990 0.060 12 0 "[ . 1 . 2]" 1
2214 1 93 ALA H 1 93 ALA MB . . 2.910 2.221 2.196 2.260 . 0 0 "[ . 1 . 2]" 1
2215 1 93 ALA H 1 94 LYS H . . 3.380 2.822 2.768 2.888 . 0 0 "[ . 1 . 2]" 1
2216 1 93 ALA H 1 95 GLN H . . 4.420 4.293 4.222 4.411 . 0 0 "[ . 1 . 2]" 1
2217 1 93 ALA H 1 117 ILE MD . . 4.880 4.678 4.227 4.901 0.021 5 0 "[ . 1 . 2]" 1
2218 1 93 ALA HA 1 95 GLN H . . 4.250 4.230 4.107 4.267 0.017 20 0 "[ . 1 . 2]" 1
2219 1 93 ALA HA 1 96 ASP H . . 4.000 3.106 3.006 3.203 . 0 0 "[ . 1 . 2]" 1
2220 1 93 ALA HA 1 96 ASP HB2 . . 4.060 2.498 2.296 2.693 . 0 0 "[ . 1 . 2]" 1
2221 1 93 ALA HA 1 96 ASP HB3 . . 6.000 4.171 3.953 4.373 . 0 0 "[ . 1 . 2]" 1
2222 1 93 ALA HA 1 97 PHE H . . 4.210 4.007 3.797 4.218 0.008 7 0 "[ . 1 . 2]" 1
2223 1 93 ALA MB 1 94 LYS H . . 3.220 2.656 2.550 2.820 . 0 0 "[ . 1 . 2]" 1
2224 1 93 ALA MB 1 94 LYS HB2 . . 4.410 4.325 4.161 4.422 0.012 19 0 "[ . 1 . 2]" 1
2225 1 93 ALA MB 1 95 GLN H . . 5.000 4.626 4.566 4.701 . 0 0 "[ . 1 . 2]" 1
2226 1 93 ALA MB 1 96 ASP H . . 4.610 4.399 4.298 4.451 . 0 0 "[ . 1 . 2]" 1
2227 1 93 ALA MB 1 96 ASP HB2 . . 4.050 3.837 3.711 3.987 . 0 0 "[ . 1 . 2]" 1
2228 1 93 ALA MB 1 97 PHE QD . . 4.210 3.361 3.151 3.515 . 0 0 "[ . 1 . 2]" 1
2229 1 93 ALA MB 1 97 PHE QE . . 3.780 2.640 2.493 2.809 . 0 0 "[ . 1 . 2]" 1
2230 1 93 ALA MB 1 117 ILE MD . . 2.930 2.670 2.296 2.935 0.005 9 0 "[ . 1 . 2]" 1
2231 1 94 LYS H 1 94 LYS HB2 . . 3.240 2.349 2.239 2.554 . 0 0 "[ . 1 . 2]" 1
2232 1 94 LYS H 1 94 LYS HB3 . . 3.210 2.579 2.324 2.766 . 0 0 "[ . 1 . 2]" 1
2233 1 94 LYS H 1 94 LYS QD . . 4.410 4.284 4.181 4.399 . 0 0 "[ . 1 . 2]" 1
2234 1 94 LYS H 1 94 LYS QG . . 4.460 3.967 3.927 4.007 . 0 0 "[ . 1 . 2]" 1
2235 1 94 LYS H 1 95 GLN H . . 3.350 2.896 2.783 2.948 . 0 0 "[ . 1 . 2]" 1
2236 1 94 LYS H 1 96 ASP H . . 4.220 4.214 4.145 4.243 0.023 7 0 "[ . 1 . 2]" 1
2237 1 94 LYS H 1 96 ASP HB2 . . 5.760 5.283 5.158 5.405 . 0 0 "[ . 1 . 2]" 1
2238 1 94 LYS H 1 97 PHE HB2 . . 6.000 5.381 5.251 5.503 . 0 0 "[ . 1 . 2]" 1
2239 1 94 LYS H 1 114 LEU MD1 . . 4.580 4.564 4.400 4.611 0.031 11 0 "[ . 1 . 2]" 1
2240 1 94 LYS H 1 117 ILE MD . . 3.580 3.366 2.950 3.590 0.010 5 0 "[ . 1 . 2]" 1
2241 1 94 LYS HA 1 94 LYS QD . . 4.050 4.038 3.680 4.079 0.029 17 0 "[ . 1 . 2]" 1
2242 1 94 LYS HA 1 94 LYS HG2 . . 3.760 3.041 2.687 3.275 . 0 0 "[ . 1 . 2]" 1
2243 1 94 LYS HA 1 94 LYS QG . . 3.100 2.502 2.387 2.680 . 0 0 "[ . 1 . 2]" 1
2244 1 94 LYS HA 1 94 LYS HG3 . . 3.760 2.700 2.538 3.718 . 0 0 "[ . 1 . 2]" 1
2245 1 94 LYS HA 1 95 GLN H . . 3.540 3.555 3.529 3.567 0.027 17 0 "[ . 1 . 2]" 1
2246 1 94 LYS HA 1 96 ASP H . . 4.530 4.359 4.232 4.516 . 0 0 "[ . 1 . 2]" 1
2247 1 94 LYS HA 1 97 PHE H . . 3.700 3.652 3.523 3.714 0.014 1 0 "[ . 1 . 2]" 1
2248 1 94 LYS HA 1 97 PHE HB2 . . 4.000 3.090 2.916 3.197 . 0 0 "[ . 1 . 2]" 1
2249 1 94 LYS HA 1 97 PHE QD . . 4.060 2.995 2.774 3.199 . 0 0 "[ . 1 . 2]" 1
2250 1 94 LYS HA 1 114 LEU MD1 . . 3.310 2.339 2.187 2.430 . 0 0 "[ . 1 . 2]" 1
2251 1 94 LYS HA 1 117 ILE MD . . 3.680 3.540 3.194 3.696 0.016 12 0 "[ . 1 . 2]" 1
2252 1 94 LYS HA 1 117 ILE HG12 . . 4.910 4.365 3.898 4.825 . 0 0 "[ . 1 . 2]" 1
2253 1 94 LYS HA 1 117 ILE HG13 . . 4.100 2.877 2.420 3.467 . 0 0 "[ . 1 . 2]" 1
2254 1 94 LYS HB2 1 114 LEU MD1 . . 3.970 3.580 3.236 3.721 . 0 0 "[ . 1 . 2]" 1
2255 1 94 LYS HB2 1 117 ILE MD . . 3.820 3.409 3.064 3.647 . 0 0 "[ . 1 . 2]" 1
2256 1 94 LYS HB3 1 95 GLN H . . 3.500 2.554 2.412 2.698 . 0 0 "[ . 1 . 2]" 1
2257 1 94 LYS HB3 1 96 ASP H . . 5.300 4.964 4.892 5.052 . 0 0 "[ . 1 . 2]" 1
2258 1 94 LYS QD 1 95 GLN H . . 4.660 4.356 2.997 4.693 0.033 19 0 "[ . 1 . 2]" 1
2259 1 94 LYS QG 1 95 GLN H . . 4.020 3.740 3.365 4.047 0.027 11 0 "[ . 1 . 2]" 1
2260 1 94 LYS QG 1 98 GLU H . . 4.710 4.347 4.221 4.581 . 0 0 "[ . 1 . 2]" 1
2261 1 94 LYS QG 1 98 GLU HG3 . . 4.750 3.171 2.923 3.427 . 0 0 "[ . 1 . 2]" 1
2262 1 94 LYS QG 1 114 LEU MD1 . . 3.120 2.067 1.964 2.195 . 0 0 "[ . 1 . 2]" 1
2263 1 95 GLN H 1 95 GLN HB2 . . 2.950 2.424 2.366 2.480 . 0 0 "[ . 1 . 2]" 1
2264 1 95 GLN H 1 95 GLN HB3 . . 3.690 3.595 3.570 3.618 . 0 0 "[ . 1 . 2]" 1
2265 1 95 GLN H 1 95 GLN HE21 . . 4.070 3.472 3.167 4.094 0.024 16 0 "[ . 1 . 2]" 1
2266 1 95 GLN H 1 95 GLN HE22 . . 5.380 4.809 4.643 5.174 . 0 0 "[ . 1 . 2]" 1
2267 1 95 GLN H 1 95 GLN HG2 . . 3.790 3.736 3.591 3.806 0.016 20 0 "[ . 1 . 2]" 1
2268 1 95 GLN H 1 95 GLN HG3 . . 3.160 2.350 2.204 2.428 . 0 0 "[ . 1 . 2]" 1
2269 1 95 GLN H 1 96 ASP H . . 3.180 2.667 2.591 2.702 . 0 0 "[ . 1 . 2]" 1
2270 1 95 GLN H 1 96 ASP HA . . 5.320 5.332 5.294 5.351 0.031 5 0 "[ . 1 . 2]" 1
2271 1 95 GLN H 1 97 PHE H . . 4.490 4.319 4.139 4.424 . 0 0 "[ . 1 . 2]" 1
2272 1 95 GLN H 1 98 GLU H . . 4.900 4.793 4.720 4.908 0.008 19 0 "[ . 1 . 2]" 1
2273 1 95 GLN H 1 114 LEU MD1 . . 5.080 4.903 4.668 5.036 . 0 0 "[ . 1 . 2]" 1
2274 1 95 GLN HA 1 95 GLN HE21 . . 5.170 4.920 4.792 5.063 . 0 0 "[ . 1 . 2]" 1
2275 1 95 GLN HA 1 95 GLN HE22 . . 6.000 6.004 5.936 6.043 0.043 16 0 "[ . 1 . 2]" 1
2276 1 95 GLN HA 1 95 GLN HG2 . . 3.430 2.744 2.627 2.835 . 0 0 "[ . 1 . 2]" 1
2277 1 95 GLN HA 1 95 GLN HG3 . . 3.820 2.834 2.768 2.925 . 0 0 "[ . 1 . 2]" 1
2278 1 95 GLN HA 1 97 PHE H . . 4.970 4.662 4.479 4.784 . 0 0 "[ . 1 . 2]" 1
2279 1 95 GLN HA 1 98 GLU H . . 3.850 3.657 3.502 3.855 0.005 17 0 "[ . 1 . 2]" 1
2280 1 95 GLN HA 1 99 THR H . . 4.760 4.307 4.113 4.531 . 0 0 "[ . 1 . 2]" 1
2281 1 95 GLN HB2 1 95 GLN HE21 . . 4.110 3.487 3.096 4.111 0.001 16 0 "[ . 1 . 2]" 1
2282 1 95 GLN HB2 1 95 GLN HE22 . . 4.500 3.982 3.773 4.405 . 0 0 "[ . 1 . 2]" 1
2283 1 95 GLN HB2 1 96 ASP H . . 3.320 2.909 2.745 3.025 . 0 0 "[ . 1 . 2]" 1
2284 1 95 GLN HB3 1 95 GLN HE21 . . 4.760 4.399 4.179 4.606 . 0 0 "[ . 1 . 2]" 1
2285 1 95 GLN HB3 1 95 GLN HE22 . . 5.170 4.749 4.586 4.860 . 0 0 "[ . 1 . 2]" 1
2286 1 95 GLN HB3 1 96 ASP H . . 3.960 3.841 3.726 3.931 . 0 0 "[ . 1 . 2]" 1
2287 1 95 GLN HE21 1 95 GLN HG2 . . 3.400 3.310 2.940 3.411 0.011 15 0 "[ . 1 . 2]" 1
2288 1 95 GLN HE21 1 95 GLN HG3 . . 3.320 2.184 2.133 2.264 . 0 0 "[ . 1 . 2]" 1
2289 1 95 GLN HE22 1 95 GLN HG2 . . 3.980 3.995 3.806 4.050 0.070 15 0 "[ . 1 . 2]" 1
2290 1 95 GLN HE22 1 95 GLN HG3 . . 3.730 3.491 3.470 3.504 . 0 0 "[ . 1 . 2]" 1
2291 1 95 GLN HG3 1 96 ASP H . . 4.570 4.561 4.472 4.598 0.028 12 0 "[ . 1 . 2]" 1
2292 1 96 ASP H 1 96 ASP HB2 . . 3.480 2.366 2.277 2.473 . 0 0 "[ . 1 . 2]" 1
2293 1 96 ASP H 1 96 ASP HB3 . . 3.730 3.600 3.545 3.652 . 0 0 "[ . 1 . 2]" 1
2294 1 96 ASP H 1 97 PHE H . . 3.360 2.613 2.562 2.672 . 0 0 "[ . 1 . 2]" 1
2295 1 96 ASP H 1 97 PHE HA . . 5.210 5.236 5.214 5.258 0.048 9 0 "[ . 1 . 2]" 1
2296 1 96 ASP H 1 97 PHE QD . . 5.080 4.987 4.900 5.085 0.005 15 0 "[ . 1 . 2]" 1
2297 1 96 ASP H 1 98 GLU H . . 4.180 4.105 3.973 4.190 0.010 19 0 "[ . 1 . 2]" 1
2298 1 96 ASP H 1 99 THR H . . 4.950 4.618 4.494 4.809 . 0 0 "[ . 1 . 2]" 1
2299 1 96 ASP HA 1 99 THR H . . 4.200 3.307 3.156 3.498 . 0 0 "[ . 1 . 2]" 1
2300 1 96 ASP HA 1 99 THR HB . . 3.640 2.680 2.534 3.037 . 0 0 "[ . 1 . 2]" 1
2301 1 96 ASP HA 1 99 THR MG . . 4.520 4.050 3.882 4.271 . 0 0 "[ . 1 . 2]" 1
2302 1 96 ASP HA 1 100 VAL H . . 4.950 4.273 4.141 4.687 . 0 0 "[ . 1 . 2]" 1
2303 1 96 ASP HA 1 100 VAL MG2 . . 4.670 4.304 4.177 4.533 . 0 0 "[ . 1 . 2]" 1
2304 1 96 ASP HB2 1 97 PHE H . . 3.580 2.764 2.648 2.876 . 0 0 "[ . 1 . 2]" 1
2305 1 96 ASP HB3 1 97 PHE H . . 3.860 3.533 3.335 3.631 . 0 0 "[ . 1 . 2]" 1
2306 1 97 PHE H 1 97 PHE HB2 . . 3.790 2.432 2.376 2.472 . 0 0 "[ . 1 . 2]" 1
2307 1 97 PHE H 1 97 PHE HB3 . . 3.610 3.605 3.591 3.617 0.007 9 0 "[ . 1 . 2]" 1
2308 1 97 PHE H 1 97 PHE QD . . 3.610 3.224 3.171 3.308 . 0 0 "[ . 1 . 2]" 1
2309 1 97 PHE H 1 97 PHE QE . . 5.000 4.734 4.580 4.873 . 0 0 "[ . 1 . 2]" 1
2310 1 97 PHE H 1 98 GLU H . . 3.260 2.728 2.665 2.759 . 0 0 "[ . 1 . 2]" 1
2311 1 97 PHE H 1 98 GLU HB2 . . 4.640 4.640 4.531 4.668 0.028 7 0 "[ . 1 . 2]" 1
2312 1 97 PHE H 1 98 GLU HG3 . . 5.360 4.963 4.696 5.151 . 0 0 "[ . 1 . 2]" 1
2313 1 97 PHE H 1 99 THR H . . 4.160 3.949 3.865 4.035 . 0 0 "[ . 1 . 2]" 1
2314 1 97 PHE H 1 100 VAL H . . 4.950 4.718 4.647 4.903 . 0 0 "[ . 1 . 2]" 1
2315 1 97 PHE H 1 100 VAL MG2 . . 4.510 4.493 4.381 4.526 0.016 3 0 "[ . 1 . 2]" 1
2316 1 97 PHE H 1 114 LEU MD1 . . 4.160 3.938 3.775 4.037 . 0 0 "[ . 1 . 2]" 1
2317 1 97 PHE H 1 114 LEU MD2 . . 5.170 5.183 5.163 5.208 0.038 15 0 "[ . 1 . 2]" 1
2318 1 97 PHE HA 1 97 PHE QD . . 3.600 2.160 2.125 2.192 . 0 0 "[ . 1 . 2]" 1
2319 1 97 PHE HA 1 97 PHE QE . . 4.310 4.347 4.338 4.354 0.044 2 0 "[ . 1 . 2]" 1
2320 1 97 PHE HA 1 98 GLU HA . . 5.410 4.858 4.797 4.905 . 0 0 "[ . 1 . 2]" 1
2321 1 97 PHE HA 1 99 THR H . . 4.700 3.956 3.793 4.068 . 0 0 "[ . 1 . 2]" 1
2322 1 97 PHE HA 1 99 THR HB . . 5.830 4.991 4.858 5.091 . 0 0 "[ . 1 . 2]" 1
2323 1 97 PHE HA 1 99 THR MG . . 6.000 5.967 5.882 6.018 0.018 2 0 "[ . 1 . 2]" 1
2324 1 97 PHE HA 1 100 VAL H . . 3.890 3.041 2.960 3.121 . 0 0 "[ . 1 . 2]" 1
2325 1 97 PHE HA 1 100 VAL HB . . 4.110 2.838 2.684 3.105 . 0 0 "[ . 1 . 2]" 1
2326 1 97 PHE HA 1 100 VAL MG1 . . 4.600 4.220 4.130 4.339 . 0 0 "[ . 1 . 2]" 1
2327 1 97 PHE HA 1 100 VAL MG2 . . 3.680 2.618 2.446 2.765 . 0 0 "[ . 1 . 2]" 1
2328 1 97 PHE HA 1 101 LEU H . . 4.970 4.382 4.203 4.714 . 0 0 "[ . 1 . 2]" 1
2329 1 97 PHE HA 1 101 LEU HB2 . . 6.000 5.430 5.147 5.820 . 0 0 "[ . 1 . 2]" 1
2330 1 97 PHE HA 1 110 ALA HA . . 5.170 3.612 3.430 3.831 . 0 0 "[ . 1 . 2]" 1
2331 1 97 PHE HA 1 110 ALA MB . . 4.080 3.597 3.311 3.863 . 0 0 "[ . 1 . 2]" 1
2332 1 97 PHE HA 1 114 LEU MD1 . . 4.810 4.723 4.564 4.814 0.004 16 0 "[ . 1 . 2]" 1
2333 1 97 PHE HA 1 114 LEU MD2 . . 5.330 4.929 4.826 5.130 . 0 0 "[ . 1 . 2]" 1
2334 1 97 PHE HB2 1 98 GLU H . . 4.160 2.763 2.674 2.856 . 0 0 "[ . 1 . 2]" 1
2335 1 97 PHE HB2 1 99 THR H . . 5.190 5.029 4.950 5.109 . 0 0 "[ . 1 . 2]" 1
2336 1 97 PHE HB2 1 114 LEU H . . 4.750 4.309 4.082 4.535 . 0 0 "[ . 1 . 2]" 1
2337 1 97 PHE HB2 1 114 LEU HA . . 4.830 3.553 3.100 3.939 . 0 0 "[ . 1 . 2]" 1
2338 1 97 PHE HB2 1 114 LEU HB2 . . 4.590 2.971 2.750 3.165 . 0 0 "[ . 1 . 2]" 1
2339 1 97 PHE HB2 1 114 LEU MD1 . . 3.330 2.163 2.103 2.221 . 0 0 "[ . 1 . 2]" 1
2340 1 97 PHE HB2 1 114 LEU MD2 . . 4.940 3.454 3.329 3.602 . 0 0 "[ . 1 . 2]" 1
2341 1 97 PHE HB2 1 114 LEU HG . . 4.930 4.931 4.816 4.964 0.034 15 0 "[ . 1 . 2]" 1
2342 1 97 PHE HB2 1 117 ILE MD . . 4.860 4.639 4.318 4.867 0.007 20 0 "[ . 1 . 2]" 1
2343 1 97 PHE HB3 1 98 GLU H . . 4.330 3.679 3.609 3.796 . 0 0 "[ . 1 . 2]" 1
2344 1 97 PHE HB3 1 100 VAL H . . 5.390 5.090 5.012 5.146 . 0 0 "[ . 1 . 2]" 1
2345 1 97 PHE HB3 1 110 ALA HA . . 4.430 2.657 2.473 2.819 . 0 0 "[ . 1 . 2]" 1
2346 1 97 PHE HB3 1 114 LEU H . . 4.700 3.393 3.159 3.668 . 0 0 "[ . 1 . 2]" 1
2347 1 97 PHE HB3 1 114 LEU HB2 . . 4.720 2.385 2.240 2.588 . 0 0 "[ . 1 . 2]" 1
2348 1 97 PHE HB3 1 114 LEU MD1 . . 3.640 3.101 2.937 3.233 . 0 0 "[ . 1 . 2]" 1
2349 1 97 PHE HB3 1 114 LEU MD2 . . 4.530 3.322 3.151 3.505 . 0 0 "[ . 1 . 2]" 1
2350 1 97 PHE HB3 1 114 LEU HG . . 5.250 5.163 5.091 5.254 0.004 19 0 "[ . 1 . 2]" 1
2351 1 97 PHE QD 1 98 GLU H . . 4.600 4.533 4.473 4.597 . 0 0 "[ . 1 . 2]" 1
2352 1 97 PHE QD 1 100 VAL H . . 5.880 4.802 4.668 4.884 . 0 0 "[ . 1 . 2]" 1
2353 1 97 PHE QD 1 100 VAL HB . . 5.370 3.657 3.516 3.861 . 0 0 "[ . 1 . 2]" 1
2354 1 97 PHE QD 1 100 VAL MG1 . . 4.700 4.097 3.926 4.195 . 0 0 "[ . 1 . 2]" 1
2355 1 97 PHE QD 1 100 VAL MG2 . . 3.690 2.904 2.790 3.053 . 0 0 "[ . 1 . 2]" 1
2356 1 97 PHE QD 1 110 ALA HA . . 4.310 3.134 2.775 3.390 . 0 0 "[ . 1 . 2]" 1
2357 1 97 PHE QD 1 110 ALA MB . . 4.430 3.901 3.321 4.218 . 0 0 "[ . 1 . 2]" 1
2358 1 97 PHE QD 1 113 GLU H . . 5.730 5.087 4.991 5.180 . 0 0 "[ . 1 . 2]" 1
2359 1 97 PHE QD 1 114 LEU H . . 5.050 4.066 3.836 4.268 . 0 0 "[ . 1 . 2]" 1
2360 1 97 PHE QD 1 114 LEU MD1 . . 3.870 3.148 3.012 3.366 . 0 0 "[ . 1 . 2]" 1
2361 1 97 PHE QD 1 117 ILE MD . . 3.530 2.728 2.346 3.128 . 0 0 "[ . 1 . 2]" 1
2362 1 97 PHE QE 1 113 GLU HA . . 4.810 4.710 4.551 4.814 0.004 5 0 "[ . 1 . 2]" 1
2363 1 97 PHE QE 1 113 GLU HG3 . . 5.170 2.876 2.652 3.075 . 0 0 "[ . 1 . 2]" 1
2364 1 97 PHE QE 1 114 LEU H . . 5.210 4.941 4.731 5.212 0.002 1 0 "[ . 1 . 2]" 1
2365 1 97 PHE QE 1 117 ILE MD . . 3.570 2.578 2.268 3.243 . 0 0 "[ . 1 . 2]" 1
2366 1 98 GLU H 1 98 GLU HB2 . . 3.110 2.304 2.282 2.324 . 0 0 "[ . 1 . 2]" 1
2367 1 98 GLU H 1 98 GLU HB3 . . 3.550 3.557 3.551 3.569 0.019 7 0 "[ . 1 . 2]" 1
2368 1 98 GLU H 1 98 GLU HG3 . . 3.340 2.574 2.419 2.777 . 0 0 "[ . 1 . 2]" 1
2369 1 98 GLU H 1 99 THR H . . 3.400 2.805 2.738 2.858 . 0 0 "[ . 1 . 2]" 1
2370 1 98 GLU H 1 100 VAL H . . 4.760 4.355 4.241 4.444 . 0 0 "[ . 1 . 2]" 1
2371 1 98 GLU H 1 101 LEU H . . 5.530 5.066 4.886 5.273 . 0 0 "[ . 1 . 2]" 1
2372 1 98 GLU H 1 114 LEU HB2 . . 5.290 4.772 4.529 5.028 . 0 0 "[ . 1 . 2]" 1
2373 1 98 GLU H 1 114 LEU MD1 . . 3.840 3.094 2.838 3.225 . 0 0 "[ . 1 . 2]" 1
2374 1 98 GLU H 1 114 LEU MD2 . . 3.830 3.562 3.440 3.696 . 0 0 "[ . 1 . 2]" 1
2375 1 98 GLU HA 1 98 GLU QG . . 3.430 2.273 2.188 2.351 . 0 0 "[ . 1 . 2]" 1
2376 1 98 GLU HA 1 98 GLU HG3 . . 3.400 2.914 2.684 3.239 . 0 0 "[ . 1 . 2]" 1
2377 1 98 GLU HA 1 101 LEU H . . 3.810 3.569 3.376 3.815 0.005 17 0 "[ . 1 . 2]" 1
2378 1 98 GLU HA 1 101 LEU HB2 . . 4.080 3.220 2.895 3.485 . 0 0 "[ . 1 . 2]" 1
2379 1 98 GLU HA 1 114 LEU MD2 . . 3.270 3.026 2.794 3.251 . 0 0 "[ . 1 . 2]" 1
2380 1 98 GLU HB2 1 99 THR H . . 3.560 3.100 2.956 3.240 . 0 0 "[ . 1 . 2]" 1
2381 1 98 GLU HB2 1 99 THR MG . . 5.970 5.888 5.719 5.993 0.023 15 0 "[ . 1 . 2]" 1
2382 1 98 GLU HB2 1 114 LEU MD1 . . 4.220 4.193 3.960 4.245 0.025 18 0 "[ . 1 . 2]" 1
2383 1 98 GLU HB3 1 99 THR H . . 3.860 3.769 3.574 3.876 0.016 19 0 "[ . 1 . 2]" 1
2384 1 98 GLU QG 1 114 LEU HB2 . . 4.650 4.452 4.145 4.653 0.003 18 0 "[ . 1 . 2]" 1
2385 1 98 GLU QG 1 114 LEU MD1 . . 3.730 2.335 2.217 2.473 . 0 0 "[ . 1 . 2]" 1
2386 1 98 GLU QG 1 114 LEU MD2 . . 4.070 2.235 2.072 2.432 . 0 0 "[ . 1 . 2]" 1
2387 1 98 GLU HG3 1 99 THR H . . 4.960 4.836 4.716 4.967 0.007 4 0 "[ . 1 . 2]" 1
2388 1 98 GLU HG3 1 114 LEU MD1 . . 3.660 2.374 2.249 2.518 . 0 0 "[ . 1 . 2]" 1
2389 1 98 GLU HG3 1 114 LEU MD2 . . 4.000 2.496 2.322 2.720 . 0 0 "[ . 1 . 2]" 1
2390 1 99 THR H 1 99 THR HB . . 3.220 2.548 2.497 2.620 . 0 0 "[ . 1 . 2]" 1
2391 1 99 THR H 1 99 THR MG . . 3.780 3.805 3.792 3.811 0.031 8 0 "[ . 1 . 2]" 1
2392 1 99 THR H 1 100 VAL H . . 3.350 2.585 2.425 2.669 . 0 0 "[ . 1 . 2]" 1
2393 1 99 THR H 1 100 VAL MG2 . . 4.250 4.167 3.980 4.248 . 0 0 "[ . 1 . 2]" 1
2394 1 99 THR H 1 101 LEU H . . 4.290 4.062 3.912 4.199 . 0 0 "[ . 1 . 2]" 1
2395 1 99 THR H 1 102 LEU H . . 5.140 5.034 4.862 5.142 0.002 15 0 "[ . 1 . 2]" 1
2396 1 99 THR H 1 102 LEU MD1 . . 4.670 4.670 4.539 4.692 0.022 3 0 "[ . 1 . 2]" 1
2397 1 99 THR H 1 102 LEU HG . . 4.790 4.675 4.618 4.720 . 0 0 "[ . 1 . 2]" 1
2398 1 99 THR HA 1 99 THR MG . . 3.020 2.307 2.272 2.340 . 0 0 "[ . 1 . 2]" 1
2399 1 99 THR HA 1 101 LEU H . . 5.030 4.147 4.044 4.255 . 0 0 "[ . 1 . 2]" 1
2400 1 99 THR HA 1 102 LEU H . . 3.690 3.195 3.041 3.328 . 0 0 "[ . 1 . 2]" 1
2401 1 99 THR HA 1 102 LEU HB2 . . 4.040 3.371 3.205 3.500 . 0 0 "[ . 1 . 2]" 1
2402 1 99 THR HA 1 102 LEU HB3 . . 4.780 4.615 4.506 4.709 . 0 0 "[ . 1 . 2]" 1
2403 1 99 THR HA 1 102 LEU MD1 . . 3.840 2.344 2.295 2.377 . 0 0 "[ . 1 . 2]" 1
2404 1 99 THR HA 1 102 LEU MD2 . . 3.920 3.781 3.667 3.840 . 0 0 "[ . 1 . 2]" 1
2405 1 99 THR HA 1 102 LEU HG . . 3.870 2.199 2.163 2.234 . 0 0 "[ . 1 . 2]" 1
2406 1 99 THR HA 1 103 LEU H . . 4.850 4.646 4.552 4.774 . 0 0 "[ . 1 . 2]" 1
2407 1 99 THR HB 1 100 VAL H . . 3.640 2.834 2.759 2.912 . 0 0 "[ . 1 . 2]" 1
2408 1 99 THR HB 1 100 VAL HA . . 4.480 4.479 4.342 4.512 0.032 6 0 "[ . 1 . 2]" 1
2409 1 99 THR HB 1 100 VAL MG2 . . 4.240 3.699 3.560 3.759 . 0 0 "[ . 1 . 2]" 1
2410 1 99 THR HB 1 102 LEU HB2 . . 5.690 5.581 5.448 5.695 0.005 15 0 "[ . 1 . 2]" 1
2411 1 99 THR HB 1 102 LEU MD1 . . 4.590 4.482 4.414 4.550 . 0 0 "[ . 1 . 2]" 1
2412 1 99 THR HB 1 102 LEU HG . . 5.160 5.166 5.110 5.183 0.023 9 0 "[ . 1 . 2]" 1
2413 1 99 THR HB 1 103 LEU MD1 . . 4.910 4.261 4.099 4.418 . 0 0 "[ . 1 . 2]" 1
2414 1 99 THR MG 1 100 VAL H . . 3.870 3.640 3.555 3.699 . 0 0 "[ . 1 . 2]" 1
2415 1 99 THR MG 1 100 VAL HA . . 4.240 3.733 3.606 3.829 . 0 0 "[ . 1 . 2]" 1
2416 1 99 THR MG 1 100 VAL MG2 . . 4.090 4.043 3.944 4.102 0.012 1 0 "[ . 1 . 2]" 1
2417 1 99 THR MG 1 102 LEU H . . 4.350 4.022 3.923 4.114 . 0 0 "[ . 1 . 2]" 1
2418 1 99 THR MG 1 102 LEU HB2 . . 3.590 3.169 2.983 3.377 . 0 0 "[ . 1 . 2]" 1
2419 1 99 THR MG 1 102 LEU HB3 . . 4.640 4.437 4.288 4.590 . 0 0 "[ . 1 . 2]" 1
2420 1 99 THR MG 1 102 LEU MD1 . . 3.190 2.232 2.150 2.361 . 0 0 "[ . 1 . 2]" 1
2421 1 99 THR MG 1 102 LEU MD2 . . 4.740 4.560 4.505 4.627 . 0 0 "[ . 1 . 2]" 1
2422 1 99 THR MG 1 102 LEU HG . . 3.590 3.601 3.590 3.621 0.031 20 0 "[ . 1 . 2]" 1
2423 1 99 THR MG 1 103 LEU H . . 4.140 4.155 4.046 4.183 0.043 8 0 "[ . 1 . 2]" 1
2424 1 99 THR MG 1 103 LEU MD1 . . 3.000 2.497 2.359 2.746 . 0 0 "[ . 1 . 2]" 1
2425 1 99 THR MG 1 103 LEU MD2 . . 3.900 3.628 3.389 3.835 . 0 0 "[ . 1 . 2]" 1
2426 1 100 VAL H 1 100 VAL HB . . 3.420 2.577 2.517 2.619 . 0 0 "[ . 1 . 2]" 1
2427 1 100 VAL H 1 100 VAL MG1 . . 3.940 3.846 3.825 3.870 . 0 0 "[ . 1 . 2]" 1
2428 1 100 VAL H 1 100 VAL MG2 . . 3.030 2.209 2.123 2.275 . 0 0 "[ . 1 . 2]" 1
2429 1 100 VAL H 1 101 LEU H . . 3.520 2.748 2.660 2.835 . 0 0 "[ . 1 . 2]" 1
2430 1 100 VAL H 1 102 LEU H . . 4.500 4.181 4.136 4.220 . 0 0 "[ . 1 . 2]" 1
2431 1 100 VAL H 1 110 ALA MB . . 3.970 3.973 3.911 3.992 0.022 2 0 "[ . 1 . 2]" 1
2432 1 100 VAL HA 1 100 VAL MG1 . . 3.250 2.464 2.399 2.510 . 0 0 "[ . 1 . 2]" 1
2433 1 100 VAL HA 1 100 VAL MG2 . . 3.430 2.416 2.380 2.456 . 0 0 "[ . 1 . 2]" 1
2434 1 100 VAL HA 1 102 LEU H . . 4.710 3.897 3.776 4.026 . 0 0 "[ . 1 . 2]" 1
2435 1 100 VAL HA 1 102 LEU HB2 . . 5.460 5.091 4.986 5.294 . 0 0 "[ . 1 . 2]" 1
2436 1 100 VAL HA 1 103 LEU H . . 4.190 3.394 3.246 3.491 . 0 0 "[ . 1 . 2]" 1
2437 1 100 VAL HA 1 103 LEU HB2 . . 4.150 2.788 2.650 2.946 . 0 0 "[ . 1 . 2]" 1
2438 1 100 VAL HA 1 103 LEU HB3 . . 5.770 4.428 4.315 4.615 . 0 0 "[ . 1 . 2]" 1
2439 1 100 VAL HA 1 103 LEU MD1 . . 4.020 2.455 2.315 2.599 . 0 0 "[ . 1 . 2]" 1
2440 1 100 VAL HA 1 104 GLU H . . 5.180 4.046 3.881 4.227 . 0 0 "[ . 1 . 2]" 1
2441 1 100 VAL HB 1 101 LEU H . . 3.570 2.817 2.733 2.907 . 0 0 "[ . 1 . 2]" 1
2442 1 100 VAL HB 1 101 LEU HA . . 5.420 4.536 4.464 4.653 . 0 0 "[ . 1 . 2]" 1
2443 1 100 VAL HB 1 102 LEU H . . 5.220 5.126 5.077 5.187 . 0 0 "[ . 1 . 2]" 1
2444 1 100 VAL HB 1 110 ALA HA . . 5.490 3.571 3.209 3.964 . 0 0 "[ . 1 . 2]" 1
2445 1 100 VAL HB 1 110 ALA MB . . 3.520 2.157 2.106 2.226 . 0 0 "[ . 1 . 2]" 1
2446 1 100 VAL MG1 1 101 LEU H . . 3.670 3.601 3.496 3.668 . 0 0 "[ . 1 . 2]" 1
2447 1 100 VAL MG1 1 104 GLU H . . 5.200 3.726 3.488 3.930 . 0 0 "[ . 1 . 2]" 1
2448 1 100 VAL MG1 1 104 GLU HA . . 5.840 5.566 5.419 5.815 . 0 0 "[ . 1 . 2]" 1
2449 1 100 VAL MG1 1 104 GLU HB2 . . 3.860 3.320 3.127 3.750 . 0 0 "[ . 1 . 2]" 1
2450 1 100 VAL MG1 1 104 GLU QG . . 5.200 4.721 4.186 4.965 . 0 0 "[ . 1 . 2]" 1
2451 1 100 VAL MG1 1 107 ASN HA . . 5.170 4.704 4.501 4.844 . 0 0 "[ . 1 . 2]" 1
2452 1 100 VAL MG1 1 107 ASN HB2 . . 3.660 3.010 2.723 3.245 . 0 0 "[ . 1 . 2]" 1
2453 1 100 VAL MG1 1 107 ASN HB3 . . 4.570 2.555 2.304 2.718 . 0 0 "[ . 1 . 2]" 1
2454 1 100 VAL MG1 1 107 ASN HD21 . . 4.350 2.929 2.754 3.122 . 0 0 "[ . 1 . 2]" 1
2455 1 100 VAL MG1 1 107 ASN HD22 . . 4.170 2.946 2.683 3.259 . 0 0 "[ . 1 . 2]" 1
2456 1 100 VAL MG1 1 108 LYS H . . 5.270 5.277 5.245 5.299 0.029 8 0 "[ . 1 . 2]" 1
2457 1 100 VAL MG1 1 109 GLN H . . 5.130 4.572 4.282 4.766 . 0 0 "[ . 1 . 2]" 1
2458 1 100 VAL MG1 1 110 ALA H . . 3.970 3.253 3.061 3.400 . 0 0 "[ . 1 . 2]" 1
2459 1 100 VAL MG1 1 110 ALA HA . . 4.570 3.933 3.765 4.098 . 0 0 "[ . 1 . 2]" 1
2460 1 100 VAL MG1 1 110 ALA MB . . 2.700 2.153 2.078 2.208 . 0 0 "[ . 1 . 2]" 1
2461 1 100 VAL MG1 2 2 THR HB . . 5.440 4.627 4.478 4.777 . 0 0 "[ . 1 . 2]" 1
2462 1 100 VAL MG2 1 101 LEU H . . 4.030 3.998 3.952 4.039 0.009 12 0 "[ . 1 . 2]" 1
2463 1 100 VAL MG2 1 103 LEU MD1 . . 3.730 3.410 3.234 3.547 . 0 0 "[ . 1 . 2]" 1
2464 1 101 LEU H 1 101 LEU HB2 . . 3.110 2.192 2.150 2.241 . 0 0 "[ . 1 . 2]" 1
2465 1 101 LEU H 1 101 LEU HB3 . . 3.550 2.780 2.702 2.868 . 0 0 "[ . 1 . 2]" 1
2466 1 101 LEU H 1 101 LEU MD1 . . 3.760 3.756 3.623 3.787 0.027 1 0 "[ . 1 . 2]" 1
2467 1 101 LEU H 1 102 LEU H . . 3.340 2.849 2.790 2.905 . 0 0 "[ . 1 . 2]" 1
2468 1 101 LEU H 1 103 LEU H . . 4.450 4.317 4.198 4.453 0.003 16 0 "[ . 1 . 2]" 1
2469 1 101 LEU H 1 110 ALA MB . . 3.720 2.722 2.524 2.965 . 0 0 "[ . 1 . 2]" 1
2470 1 101 LEU HA 1 101 LEU MD1 . . 2.950 2.126 2.067 2.194 . 0 0 "[ . 1 . 2]" 1
2471 1 101 LEU HA 1 101 LEU HG . . 3.020 2.726 2.568 2.855 . 0 0 "[ . 1 . 2]" 1
2472 1 101 LEU HA 1 104 GLU H . . 5.020 3.378 3.253 3.558 . 0 0 "[ . 1 . 2]" 1
2473 1 101 LEU HA 1 105 PRO HA . . 3.930 3.341 2.779 3.717 . 0 0 "[ . 1 . 2]" 1
2474 1 101 LEU HA 1 106 GLY H . . 4.270 3.730 3.118 4.085 . 0 0 "[ . 1 . 2]" 1
2475 1 101 LEU HA 1 107 ASN H . . 4.380 3.421 3.190 3.589 . 0 0 "[ . 1 . 2]" 1
2476 1 101 LEU HA 1 110 ALA MB . . 3.920 3.112 2.919 3.396 . 0 0 "[ . 1 . 2]" 1
2477 1 101 LEU HB2 1 101 LEU MD1 . . 2.980 2.329 2.273 2.382 . 0 0 "[ . 1 . 2]" 1
2478 1 101 LEU HB2 1 101 LEU MD2 . . 3.450 2.455 2.352 2.555 . 0 0 "[ . 1 . 2]" 1
2479 1 101 LEU HB3 1 101 LEU MD2 . . 3.610 2.280 2.244 2.298 . 0 0 "[ . 1 . 2]" 1
2480 1 101 LEU HB3 1 102 LEU H . . 3.680 3.372 3.196 3.569 . 0 0 "[ . 1 . 2]" 1
2481 1 101 LEU HB3 1 105 PRO HA . . 5.130 4.871 4.479 5.151 0.021 7 0 "[ . 1 . 2]" 1
2482 1 101 LEU MD1 1 102 LEU H . . 5.020 4.997 4.940 5.033 0.013 19 0 "[ . 1 . 2]" 1
2483 1 101 LEU MD1 1 104 GLU HB2 . . 4.980 4.992 4.958 5.011 0.031 8 0 "[ . 1 . 2]" 1
2484 1 101 LEU MD1 1 105 PRO HA . . 3.790 3.166 2.758 3.664 . 0 0 "[ . 1 . 2]" 1
2485 1 101 LEU MD1 1 106 GLY H . . 3.380 2.042 1.832 2.294 . 0 0 "[ . 1 . 2]" 1
2486 1 101 LEU MD1 1 106 GLY HA2 . . 4.890 2.561 2.303 2.926 . 0 0 "[ . 1 . 2]" 1
2487 1 101 LEU MD1 1 106 GLY QA . . 4.290 2.523 2.281 2.865 . 0 0 "[ . 1 . 2]" 1
2488 1 101 LEU MD1 1 106 GLY HA3 . . 4.890 3.812 3.670 4.081 . 0 0 "[ . 1 . 2]" 1
2489 1 101 LEU MD1 1 107 ASN H . . 3.250 2.263 2.107 2.368 . 0 0 "[ . 1 . 2]" 1
2490 1 101 LEU MD1 1 107 ASN HA . . 4.870 4.333 4.193 4.453 . 0 0 "[ . 1 . 2]" 1
2491 1 101 LEU MD1 1 107 ASN HB2 . . 3.730 3.636 3.519 3.734 0.004 10 0 "[ . 1 . 2]" 1
2492 1 101 LEU MD1 1 107 ASN HB3 . . 3.470 2.766 2.598 2.958 . 0 0 "[ . 1 . 2]" 1
2493 1 101 LEU MD1 1 110 ALA H . . 4.750 4.296 4.190 4.441 . 0 0 "[ . 1 . 2]" 1
2494 1 101 LEU MD1 1 110 ALA MB . . 2.870 2.091 1.997 2.192 . 0 0 "[ . 1 . 2]" 1
2495 1 101 LEU MD1 1 111 VAL HA . . 4.120 4.097 3.781 4.149 0.029 12 0 "[ . 1 . 2]" 1
2496 1 101 LEU MD1 1 111 VAL HB . . 5.290 4.913 4.584 5.026 . 0 0 "[ . 1 . 2]" 1
2497 1 101 LEU MD2 1 105 PRO HA . . 4.520 4.275 3.867 4.528 0.008 10 0 "[ . 1 . 2]" 1
2498 1 101 LEU MD2 1 106 GLY H . . 4.410 3.587 3.327 4.072 . 0 0 "[ . 1 . 2]" 1
2499 1 102 LEU H 1 102 LEU HB2 . . 2.930 2.590 2.553 2.629 . 0 0 "[ . 1 . 2]" 1
2500 1 102 LEU H 1 102 LEU HB3 . . 3.680 3.648 3.633 3.668 . 0 0 "[ . 1 . 2]" 1
2501 1 102 LEU H 1 102 LEU MD1 . . 3.630 3.656 3.645 3.664 0.034 1 0 "[ . 1 . 2]" 1
2502 1 102 LEU H 1 102 LEU MD2 . . 3.300 3.280 3.161 3.322 0.022 7 0 "[ . 1 . 2]" 1
2503 1 102 LEU H 1 102 LEU HG . . 2.920 2.261 2.174 2.296 . 0 0 "[ . 1 . 2]" 1
2504 1 102 LEU H 1 103 LEU H . . 3.080 2.274 2.198 2.388 . 0 0 "[ . 1 . 2]" 1
2505 1 102 LEU H 1 103 LEU MD1 . . 4.560 4.577 4.567 4.592 0.032 19 0 "[ . 1 . 2]" 1
2506 1 102 LEU H 1 104 GLU H . . 4.370 3.939 3.809 4.143 . 0 0 "[ . 1 . 2]" 1
2507 1 102 LEU HA 1 102 LEU MD2 . . 2.780 2.264 2.203 2.342 . 0 0 "[ . 1 . 2]" 1
2508 1 102 LEU HB2 1 102 LEU MD2 . . 3.210 3.228 3.218 3.239 0.029 15 0 "[ . 1 . 2]" 1
2509 1 102 LEU HB2 1 103 LEU H . . 3.150 2.665 2.425 2.938 . 0 0 "[ . 1 . 2]" 1
2510 1 102 LEU HB3 1 102 LEU MD2 . . 3.030 2.409 2.366 2.472 . 0 0 "[ . 1 . 2]" 1
2511 1 102 LEU HB3 1 103 LEU H . . 4.040 3.834 3.667 4.039 . 0 0 "[ . 1 . 2]" 1
2512 1 103 LEU H 1 103 LEU HB2 . . 3.380 2.393 2.360 2.425 . 0 0 "[ . 1 . 2]" 1
2513 1 103 LEU H 1 103 LEU MD1 . . 3.590 3.411 3.317 3.521 . 0 0 "[ . 1 . 2]" 1
2514 1 103 LEU H 1 103 LEU MD2 . . 3.940 3.549 3.460 3.623 . 0 0 "[ . 1 . 2]" 1
2515 1 103 LEU H 1 104 GLU H . . 3.570 2.561 2.401 2.673 . 0 0 "[ . 1 . 2]" 1
2516 1 103 LEU H 1 104 GLU HA . . 5.450 5.167 4.959 5.279 . 0 0 "[ . 1 . 2]" 1
2517 1 103 LEU HA 1 103 LEU MD1 . . 3.960 3.907 3.887 3.921 . 0 0 "[ . 1 . 2]" 1
2518 1 103 LEU HA 1 103 LEU MD2 . . 2.870 2.211 2.169 2.254 . 0 0 "[ . 1 . 2]" 1
2519 1 103 LEU HB2 1 103 LEU MD1 . . 3.550 2.284 2.261 2.315 . 0 0 "[ . 1 . 2]" 1
2520 1 103 LEU HB2 1 104 GLU H . . 5.200 2.723 2.605 2.847 . 0 0 "[ . 1 . 2]" 1
2521 1 103 LEU HB3 1 103 LEU MD1 . . 3.480 2.460 2.419 2.508 . 0 0 "[ . 1 . 2]" 1
2522 1 103 LEU HB3 1 103 LEU MD2 . . 3.030 2.355 2.330 2.384 . 0 0 "[ . 1 . 2]" 1
2523 1 104 GLU H 1 104 GLU HG2 . . 5.320 4.718 4.183 4.952 . 0 0 "[ . 1 . 2]" 1
2524 1 104 GLU H 1 104 GLU HG3 . . 5.320 3.752 3.333 4.103 . 0 0 "[ . 1 . 2]" 1
2525 1 104 GLU H 1 105 PRO QD . . 5.510 3.486 3.252 4.021 . 0 0 "[ . 1 . 2]" 1
2526 1 104 GLU HA 1 104 GLU QG . . 3.430 2.309 2.213 2.510 . 0 0 "[ . 1 . 2]" 1
2527 1 104 GLU HA 1 105 PRO QD . . 3.350 2.160 2.009 2.225 . 0 0 "[ . 1 . 2]" 1
2528 1 104 GLU HB2 1 107 ASN H . . 4.150 4.014 3.662 4.163 0.013 7 0 "[ . 1 . 2]" 1
2529 1 104 GLU HB2 1 107 ASN HA . . 4.250 4.205 3.770 4.281 0.031 1 0 "[ . 1 . 2]" 1
2530 1 104 GLU HB2 1 107 ASN HB2 . . 5.130 2.217 2.129 2.291 . 0 0 "[ . 1 . 2]" 1
2531 1 104 GLU HB2 1 107 ASN HD21 . . 3.850 2.177 1.826 2.505 . 0 0 "[ . 1 . 2]" 1
2532 1 104 GLU HB2 1 107 ASN HD22 . . 4.450 3.871 3.552 4.196 . 0 0 "[ . 1 . 2]" 1
2533 1 104 GLU HB2 1 108 LYS H . . 6.000 5.833 5.561 6.017 0.017 19 0 "[ . 1 . 2]" 1
2534 1 104 GLU HB2 2 2 THR HA . . 4.700 4.671 4.200 4.735 0.035 18 0 "[ . 1 . 2]" 1
2535 1 104 GLU HB2 2 2 THR HB . . 4.410 3.138 2.697 3.396 . 0 0 "[ . 1 . 2]" 1
2536 1 104 GLU HB2 2 2 THR MG . . 3.540 3.240 2.581 3.556 0.016 15 0 "[ . 1 . 2]" 1
2537 1 104 GLU HB3 1 107 ASN H . . 4.900 3.674 3.281 4.133 . 0 0 "[ . 1 . 2]" 1
2538 1 104 GLU HB3 1 107 ASN HD21 . . 4.760 3.046 2.737 3.904 . 0 0 "[ . 1 . 2]" 1
2539 1 104 GLU HB3 2 2 THR HA . . 4.120 3.939 3.726 4.153 0.033 8 0 "[ . 1 . 2]" 1
2540 1 104 GLU HB3 2 2 THR HB . . 3.970 2.794 2.557 3.322 . 0 0 "[ . 1 . 2]" 1
2541 1 104 GLU HB3 2 2 THR MG . . 4.010 2.100 1.955 2.305 . 0 0 "[ . 1 . 2]" 1
2542 1 104 GLU QG 1 107 ASN HB2 . . 4.440 4.142 3.940 4.352 . 0 0 "[ . 1 . 2]" 1
2543 1 104 GLU QG 1 107 ASN HD21 . . 4.990 3.581 3.216 3.784 . 0 0 "[ . 1 . 2]" 1
2544 1 104 GLU QG 2 2 THR HB . . 3.720 3.226 2.787 3.751 0.031 4 0 "[ . 1 . 2]" 1
2545 1 104 GLU QG 2 2 THR MG . . 3.440 2.625 2.163 3.459 0.019 4 0 "[ . 1 . 2]" 1
2546 1 104 GLU HG2 2 2 THR HA . . 5.090 3.179 2.384 4.658 . 0 0 "[ . 1 . 2]" 1
2547 1 104 GLU HG2 2 2 THR HB . . 4.330 3.373 2.820 4.373 0.043 4 0 "[ . 1 . 2]" 1
2548 1 104 GLU HG2 2 2 THR MG . . 4.040 2.678 2.181 3.726 . 0 0 "[ . 1 . 2]" 1
2549 1 104 GLU HG3 2 2 THR HA . . 5.090 4.550 3.918 5.118 0.028 17 0 "[ . 1 . 2]" 1
2550 1 104 GLU HG3 2 2 THR HB . . 4.330 4.371 4.082 4.419 0.089 20 0 "[ . 1 . 2]" 1
2551 1 104 GLU HG3 2 2 THR MG . . 4.040 3.929 3.557 4.114 0.074 10 0 "[ . 1 . 2]" 1
2552 1 105 PRO HA 1 106 GLY H . . 2.990 2.156 2.123 2.194 . 0 0 "[ . 1 . 2]" 1
2553 1 105 PRO HA 1 106 GLY HA2 . . 4.490 4.411 4.376 4.447 . 0 0 "[ . 1 . 2]" 1
2554 1 105 PRO HA 1 106 GLY HA3 . . 4.490 4.496 4.476 4.505 0.015 2 0 "[ . 1 . 2]" 1
2555 1 105 PRO HA 1 107 ASN H . . 4.130 3.620 3.453 3.865 . 0 0 "[ . 1 . 2]" 1
2556 1 105 PRO QB 1 106 GLY H . . 3.760 3.380 3.213 3.771 0.011 5 0 "[ . 1 . 2]" 1
2557 1 105 PRO QB 1 107 ASN H . . 5.520 4.925 4.778 5.230 . 0 0 "[ . 1 . 2]" 1
2558 1 105 PRO HB2 1 106 GLY H . . 4.560 4.027 3.462 4.381 . 0 0 "[ . 1 . 2]" 1
2559 1 105 PRO HB3 1 106 GLY H . . 4.560 3.658 3.435 4.114 . 0 0 "[ . 1 . 2]" 1
2560 1 105 PRO QD 1 106 GLY H . . 5.040 4.902 4.591 4.966 . 0 0 "[ . 1 . 2]" 1
2561 1 105 PRO QG 1 106 GLY H . . 4.910 4.650 4.531 4.727 . 0 0 "[ . 1 . 2]" 1
2562 1 106 GLY H 1 107 ASN H . . 3.490 2.675 2.009 2.819 . 0 0 "[ . 1 . 2]" 1
2563 1 106 GLY H 1 107 ASN HB2 . . 4.940 4.859 4.139 4.968 0.028 1 0 "[ . 1 . 2]" 1
2564 1 106 GLY H 1 107 ASN HB3 . . 4.860 4.701 3.990 4.868 0.008 20 0 "[ . 1 . 2]" 1
2565 1 106 GLY H 1 110 ALA MB . . 4.890 4.658 4.261 4.895 0.005 1 0 "[ . 1 . 2]" 1
2566 1 106 GLY QA 1 107 ASN HA . . 4.880 4.257 4.202 4.298 . 0 0 "[ . 1 . 2]" 1
2567 1 107 ASN H 1 107 ASN HB2 . . 3.350 2.342 2.311 2.370 . 0 0 "[ . 1 . 2]" 1
2568 1 107 ASN H 1 107 ASN HB3 . . 3.380 2.460 2.370 2.562 . 0 0 "[ . 1 . 2]" 1
2569 1 107 ASN H 1 107 ASN HD21 . . 4.430 4.489 4.460 4.506 0.076 13 0 "[ . 1 . 2]" 1
2570 1 107 ASN H 1 107 ASN HD22 . . 5.650 5.652 5.614 5.675 0.025 4 0 "[ . 1 . 2]" 1
2571 1 107 ASN H 1 108 LYS H . . 4.850 4.562 4.524 4.604 . 0 0 "[ . 1 . 2]" 1
2572 1 107 ASN H 1 110 ALA MB . . 4.170 3.517 3.354 3.681 . 0 0 "[ . 1 . 2]" 1
2573 1 107 ASN H 2 2 THR MG . . 4.220 3.219 3.008 3.489 . 0 0 "[ . 1 . 2]" 1
2574 1 107 ASN HA 1 108 LYS H . . 3.050 2.094 2.044 2.148 . 0 0 "[ . 1 . 2]" 1
2575 1 107 ASN HA 1 108 LYS HA . . 5.270 4.286 4.220 4.373 . 0 0 "[ . 1 . 2]" 1
2576 1 107 ASN HA 1 109 GLN H . . 5.160 4.362 4.258 4.521 . 0 0 "[ . 1 . 2]" 1
2577 1 107 ASN HA 2 2 THR MG . . 2.490 2.079 1.991 2.219 . 0 0 "[ . 1 . 2]" 1
2578 1 107 ASN HB2 1 108 LYS H . . 5.030 4.069 3.989 4.164 . 0 0 "[ . 1 . 2]" 1
2579 1 107 ASN HB2 1 110 ALA MB . . 3.870 3.487 3.451 3.571 . 0 0 "[ . 1 . 2]" 1
2580 1 107 ASN HB2 2 2 THR MG . . 4.350 2.794 2.435 3.239 . 0 0 "[ . 1 . 2]" 1
2581 1 107 ASN HB3 1 108 LYS H . . 4.600 4.169 4.122 4.203 . 0 0 "[ . 1 . 2]" 1
2582 1 107 ASN HB3 1 110 ALA H . . 4.460 3.017 2.904 3.133 . 0 0 "[ . 1 . 2]" 1
2583 1 107 ASN HB3 1 110 ALA MB . . 3.760 2.048 2.008 2.101 . 0 0 "[ . 1 . 2]" 1
2584 1 107 ASN HB3 2 2 THR MG . . 4.430 4.099 3.835 4.431 0.001 15 0 "[ . 1 . 2]" 1
2585 1 107 ASN HD21 1 108 LYS H . . 4.930 4.415 4.244 4.594 . 0 0 "[ . 1 . 2]" 1
2586 1 107 ASN HD21 1 110 ALA MB . . 5.020 4.428 4.216 4.622 . 0 0 "[ . 1 . 2]" 1
2587 1 107 ASN HD21 2 2 THR HB . . 3.740 2.095 1.970 2.245 . 0 0 "[ . 1 . 2]" 1
2588 1 107 ASN HD22 2 2 THR HB . . 3.700 2.973 2.850 3.045 . 0 0 "[ . 1 . 2]" 1
2589 1 107 ASN HD22 2 2 THR MG . . 4.310 4.326 4.096 4.371 0.061 15 0 "[ . 1 . 2]" 1
2590 1 108 LYS H 1 108 LYS QB . . 3.260 2.451 2.401 2.498 . 0 0 "[ . 1 . 2]" 1
2591 1 108 LYS H 1 108 LYS QD . . 3.980 3.987 3.945 4.018 0.038 8 0 "[ . 1 . 2]" 1
2592 1 108 LYS H 1 108 LYS QE . . 5.210 3.033 2.870 3.242 . 0 0 "[ . 1 . 2]" 1
2593 1 108 LYS H 1 108 LYS HG2 . . 3.900 3.416 3.236 3.546 . 0 0 "[ . 1 . 2]" 1
2594 1 108 LYS H 1 108 LYS HG3 . . 3.580 2.057 1.976 2.138 . 0 0 "[ . 1 . 2]" 1
2595 1 108 LYS H 1 109 GLN H . . 3.550 2.850 2.744 2.996 . 0 0 "[ . 1 . 2]" 1
2596 1 108 LYS H 1 109 GLN QB . . 4.830 4.817 4.639 4.850 0.020 3 0 "[ . 1 . 2]" 1
2597 1 108 LYS H 1 110 ALA H . . 4.250 4.103 4.006 4.235 . 0 0 "[ . 1 . 2]" 1
2598 1 108 LYS H 1 111 VAL HB . . 6.000 5.813 5.677 5.964 . 0 0 "[ . 1 . 2]" 1
2599 1 108 LYS H 1 111 VAL MG2 . . 5.050 5.009 4.853 5.061 0.011 16 0 "[ . 1 . 2]" 1
2600 1 108 LYS H 2 2 THR MG . . 4.000 3.483 3.291 3.583 . 0 0 "[ . 1 . 2]" 1
2601 1 108 LYS HA 1 108 LYS QD . . 4.270 4.164 4.014 4.250 . 0 0 "[ . 1 . 2]" 1
2602 1 108 LYS HA 1 108 LYS HG2 . . 3.510 2.653 2.447 2.757 . 0 0 "[ . 1 . 2]" 1
2603 1 108 LYS HA 1 110 ALA H . . 5.030 4.579 4.463 4.736 . 0 0 "[ . 1 . 2]" 1
2604 1 108 LYS HA 1 111 VAL H . . 4.110 3.726 3.497 3.893 . 0 0 "[ . 1 . 2]" 1
2605 1 108 LYS HA 1 111 VAL HB . . 3.470 3.467 3.270 3.506 0.036 6 0 "[ . 1 . 2]" 1
2606 1 108 LYS HA 1 111 VAL MG2 . . 3.990 3.725 3.444 3.957 . 0 0 "[ . 1 . 2]" 1
2607 1 108 LYS HA 2 2 THR MG . . 5.550 5.469 5.284 5.570 0.020 12 0 "[ . 1 . 2]" 1
2608 1 108 LYS QB 1 109 GLN H . . 3.520 2.459 2.277 2.656 . 0 0 "[ . 1 . 2]" 1
2609 1 108 LYS QB 1 111 VAL H . . 5.460 5.048 4.964 5.144 . 0 0 "[ . 1 . 2]" 1
2610 1 108 LYS QB 1 112 THR H . . 4.810 4.800 4.708 4.838 0.028 8 0 "[ . 1 . 2]" 1
2611 1 108 LYS QB 1 112 THR HB . . 5.180 4.806 4.509 5.006 . 0 0 "[ . 1 . 2]" 1
2612 1 108 LYS QD 2 2 THR MG . . 5.050 4.750 4.425 4.976 . 0 0 "[ . 1 . 2]" 1
2613 1 108 LYS QE 2 2 THR HA . . 5.100 4.573 4.272 5.141 0.041 19 0 "[ . 1 . 2]" 1
2614 1 108 LYS QE 2 2 THR MG . . 3.700 3.684 3.294 3.738 0.038 6 0 "[ . 1 . 2]" 1
2615 1 108 LYS QE 2 4 ARG HA . . 4.820 4.426 3.911 4.836 0.016 8 0 "[ . 1 . 2]" 1
2616 1 108 LYS QE 2 4 ARG QB . . 4.830 4.359 3.526 4.861 0.031 5 0 "[ . 1 . 2]" 1
2617 1 108 LYS HG2 2 2 THR MG . . 5.340 5.148 4.762 5.353 0.013 9 0 "[ . 1 . 2]" 1
2618 1 108 LYS HG3 1 109 GLN H . . 4.310 4.322 4.261 4.347 0.037 14 0 "[ . 1 . 2]" 1
2619 1 108 LYS HG3 2 2 THR MG . . 3.990 3.789 3.473 3.980 . 0 0 "[ . 1 . 2]" 1
2620 1 109 GLN H 1 109 GLN QB . . 2.970 2.430 2.319 2.522 . 0 0 "[ . 1 . 2]" 1
2621 1 109 GLN H 1 109 GLN HE21 . . 5.000 4.814 4.726 5.005 0.005 19 0 "[ . 1 . 2]" 1
2622 1 109 GLN H 1 109 GLN HE22 . . 6.000 6.045 6.019 6.083 0.083 8 0 "[ . 1 . 2]" 1
2623 1 109 GLN H 1 109 GLN HG2 . . 3.680 2.738 2.579 3.081 . 0 0 "[ . 1 . 2]" 1
2624 1 109 GLN H 1 109 GLN HG3 . . 3.540 2.816 2.461 3.321 . 0 0 "[ . 1 . 2]" 1
2625 1 109 GLN H 1 110 ALA H . . 3.300 2.667 2.577 2.753 . 0 0 "[ . 1 . 2]" 1
2626 1 109 GLN H 1 111 VAL H . . 4.330 4.231 4.130 4.331 0.001 8 0 "[ . 1 . 2]" 1
2627 1 109 GLN H 1 111 VAL MG2 . . 5.590 5.515 5.371 5.596 0.006 8 0 "[ . 1 . 2]" 1
2628 1 109 GLN H 2 2 THR MG . . 5.590 5.569 5.386 5.641 0.051 16 0 "[ . 1 . 2]" 1
2629 1 109 GLN H 2 4 ARG HA . . 5.610 5.093 4.337 5.480 . 0 0 "[ . 1 . 2]" 1
2630 1 109 GLN HA 1 109 GLN QB . . 2.630 2.378 2.333 2.451 . 0 0 "[ . 1 . 2]" 1
2631 1 109 GLN HA 1 109 GLN HE21 . . 5.120 4.391 3.461 4.719 . 0 0 "[ . 1 . 2]" 1
2632 1 109 GLN HA 1 109 GLN HE22 . . 6.000 5.106 4.342 5.500 . 0 0 "[ . 1 . 2]" 1
2633 1 109 GLN HA 1 109 GLN HG2 . . 3.970 2.448 2.345 2.604 . 0 0 "[ . 1 . 2]" 1
2634 1 109 GLN HA 1 109 GLN HG3 . . 3.990 3.626 3.395 3.758 . 0 0 "[ . 1 . 2]" 1
2635 1 109 GLN HA 1 111 VAL H . . 4.740 4.249 4.154 4.392 . 0 0 "[ . 1 . 2]" 1
2636 1 109 GLN HA 1 112 THR H . . 3.750 3.394 3.312 3.488 . 0 0 "[ . 1 . 2]" 1
2637 1 109 GLN HA 1 112 THR HB . . 3.460 2.589 2.502 2.680 . 0 0 "[ . 1 . 2]" 1
2638 1 109 GLN HA 1 112 THR MG . . 4.200 4.111 3.999 4.180 . 0 0 "[ . 1 . 2]" 1
2639 1 109 GLN HA 1 113 GLU H . . 4.250 3.056 2.903 3.317 . 0 0 "[ . 1 . 2]" 1
2640 1 109 GLN QB 1 109 GLN HE21 . . 3.950 3.936 3.732 3.979 0.029 17 0 "[ . 1 . 2]" 1
2641 1 109 GLN QB 1 110 ALA H . . 3.300 2.582 2.481 2.664 . 0 0 "[ . 1 . 2]" 1
2642 1 109 GLN QB 1 110 ALA HA . . 4.040 3.785 3.675 3.882 . 0 0 "[ . 1 . 2]" 1
2643 1 109 GLN QB 2 4 ARG HA . . 4.980 4.678 4.118 4.988 0.008 2 0 "[ . 1 . 2]" 1
2644 1 109 GLN QB 2 4 ARG QD . . 4.630 5.120 4.398 5.548 0.918 20 10 "[* -** * *1 * * * +]" 1
2645 1 109 GLN HE21 1 109 GLN HG2 . . 3.380 2.289 2.151 2.401 . 0 0 "[ . 1 . 2]" 1
2646 1 109 GLN HE21 1 109 GLN HG3 . . 3.320 2.761 2.461 3.243 . 0 0 "[ . 1 . 2]" 1
2647 1 109 GLN HE21 2 4 ARG HA . . 4.490 3.452 2.474 4.246 . 0 0 "[ . 1 . 2]" 1
2648 1 109 GLN HE21 2 4 ARG QB . . 5.200 4.675 3.989 5.211 0.011 10 0 "[ . 1 . 2]" 1
2649 1 109 GLN HE21 2 4 ARG QD . . 4.070 2.405 1.876 2.696 . 0 0 "[ . 1 . 2]" 1
2650 1 109 GLN HE21 2 4 ARG QG . . 4.670 3.661 2.471 4.670 . 0 0 "[ . 1 . 2]" 1
2651 1 109 GLN HE21 2 5 MET HB2 . . 4.100 4.096 3.797 4.161 0.061 15 0 "[ . 1 . 2]" 1
2652 1 109 GLN HG2 1 112 THR H . . 5.670 5.608 5.520 5.697 0.027 14 0 "[ . 1 . 2]" 1
2653 1 109 GLN HG2 1 112 THR MG . . 5.340 5.300 5.061 5.364 0.024 16 0 "[ . 1 . 2]" 1
2654 1 109 GLN HG2 2 4 ARG HA . . 5.220 4.085 3.125 4.861 . 0 0 "[ . 1 . 2]" 1
2655 1 109 GLN HG2 2 4 ARG QD . . 4.780 3.988 2.546 4.821 0.041 20 0 "[ . 1 . 2]" 1
2656 1 109 GLN HG2 2 5 MET HB2 . . 4.960 4.881 4.413 5.018 0.058 1 0 "[ . 1 . 2]" 1
2657 1 109 GLN HG3 2 4 ARG HA . . 4.060 2.980 2.504 3.484 . 0 0 "[ . 1 . 2]" 1
2658 1 109 GLN HG3 2 4 ARG QD . . 4.340 3.725 2.790 4.363 0.023 7 0 "[ . 1 . 2]" 1
2659 1 109 GLN HG3 2 4 ARG QG . . 5.630 4.748 3.801 5.622 . 0 0 "[ . 1 . 2]" 1
2660 1 109 GLN HG3 2 5 MET HB2 . . 4.360 4.003 3.274 4.392 0.032 19 0 "[ . 1 . 2]" 1
2661 1 110 ALA H 1 110 ALA MB . . 3.020 2.208 2.181 2.235 . 0 0 "[ . 1 . 2]" 1
2662 1 110 ALA H 1 111 VAL H . . 3.380 2.830 2.772 2.881 . 0 0 "[ . 1 . 2]" 1
2663 1 110 ALA H 1 111 VAL MG2 . . 4.650 4.503 4.420 4.550 . 0 0 "[ . 1 . 2]" 1
2664 1 110 ALA H 1 112 THR H . . 4.840 4.407 4.310 4.475 . 0 0 "[ . 1 . 2]" 1
2665 1 110 ALA H 1 113 GLU H . . 4.920 4.879 4.859 4.925 0.005 2 0 "[ . 1 . 2]" 1
2666 1 110 ALA HA 1 113 GLU HG2 . . 4.390 4.471 4.440 4.502 0.112 8 0 "[ . 1 . 2]" 1
2667 1 110 ALA MB 1 111 VAL H . . 3.490 2.915 2.778 3.006 . 0 0 "[ . 1 . 2]" 1
2668 1 110 ALA MB 1 111 VAL HA . . 4.430 4.227 4.156 4.293 . 0 0 "[ . 1 . 2]" 1
2669 1 110 ALA MB 1 111 VAL MG2 . . 3.530 3.464 3.299 3.536 0.006 8 0 "[ . 1 . 2]" 1
2670 1 110 ALA MB 1 112 THR H . . 5.070 4.912 4.816 4.997 . 0 0 "[ . 1 . 2]" 1
2671 1 111 VAL H 1 111 VAL HB . . 3.220 2.564 2.520 2.629 . 0 0 "[ . 1 . 2]" 1
2672 1 111 VAL H 1 111 VAL MG1 . . 3.900 3.852 3.832 3.868 . 0 0 "[ . 1 . 2]" 1
2673 1 111 VAL H 1 111 VAL MG2 . . 2.940 2.401 2.337 2.452 . 0 0 "[ . 1 . 2]" 1
2674 1 111 VAL H 1 112 THR H . . 3.240 2.537 2.467 2.603 . 0 0 "[ . 1 . 2]" 1
2675 1 111 VAL H 1 112 THR HB . . 4.890 4.815 4.696 4.901 0.011 4 0 "[ . 1 . 2]" 1
2676 1 111 VAL H 1 113 GLU H . . 4.470 4.305 4.247 4.402 . 0 0 "[ . 1 . 2]" 1
2677 1 111 VAL H 1 114 LEU HB3 . . 5.980 5.139 4.960 5.244 . 0 0 "[ . 1 . 2]" 1
2678 1 111 VAL HA 1 111 VAL MG1 . . 3.140 2.357 2.295 2.397 . 0 0 "[ . 1 . 2]" 1
2679 1 111 VAL HA 1 111 VAL MG2 . . 2.980 2.403 2.351 2.444 . 0 0 "[ . 1 . 2]" 1
2680 1 111 VAL HA 1 114 LEU H . . 4.230 4.221 4.134 4.251 0.021 10 0 "[ . 1 . 2]" 1
2681 1 111 VAL HA 1 114 LEU HA . . 6.000 5.980 5.892 6.026 0.026 17 0 "[ . 1 . 2]" 1
2682 1 111 VAL HA 1 114 LEU HB2 . . 4.310 4.123 3.980 4.207 . 0 0 "[ . 1 . 2]" 1
2683 1 111 VAL HA 1 114 LEU HB3 . . 4.210 3.083 2.931 3.146 . 0 0 "[ . 1 . 2]" 1
2684 1 111 VAL HA 1 115 SER H . . 4.550 4.240 4.149 4.400 . 0 0 "[ . 1 . 2]" 1
2685 1 111 VAL HB 1 112 THR H . . 3.180 2.422 2.368 2.472 . 0 0 "[ . 1 . 2]" 1
2686 1 111 VAL MG1 1 112 THR H . . 3.350 3.303 3.178 3.356 0.006 5 0 "[ . 1 . 2]" 1
2687 1 111 VAL MG1 1 112 THR HA . . 4.350 3.181 3.006 3.340 . 0 0 "[ . 1 . 2]" 1
2688 1 111 VAL MG1 1 115 SER H . . 4.290 4.288 4.239 4.310 0.020 2 0 "[ . 1 . 2]" 1
2689 1 111 VAL MG1 1 115 SER HA . . 5.090 5.112 5.087 5.140 0.050 16 0 "[ . 1 . 2]" 1
2690 1 111 VAL MG2 1 112 THR H . . 3.790 3.808 3.793 3.821 0.031 5 0 "[ . 1 . 2]" 1
2691 1 112 THR H 1 112 THR HB . . 3.110 2.603 2.486 2.707 . 0 0 "[ . 1 . 2]" 1
2692 1 112 THR H 1 112 THR MG . . 3.810 3.781 3.748 3.818 0.008 5 0 "[ . 1 . 2]" 1
2693 1 112 THR H 1 113 GLU H . . 3.380 2.933 2.863 3.045 . 0 0 "[ . 1 . 2]" 1
2694 1 112 THR H 1 114 LEU H . . 4.720 4.372 4.216 4.554 . 0 0 "[ . 1 . 2]" 1
2695 1 112 THR HA 1 112 THR MG . . 2.930 2.351 2.280 2.436 . 0 0 "[ . 1 . 2]" 1
2696 1 112 THR HA 1 115 SER H . . 3.650 3.530 3.379 3.662 0.012 20 0 "[ . 1 . 2]" 1
2697 1 112 THR HB 1 113 GLU H . . 3.530 2.639 2.537 2.729 . 0 0 "[ . 1 . 2]" 1
2698 1 112 THR HB 1 113 GLU HG2 . . 4.210 3.373 3.089 3.614 . 0 0 "[ . 1 . 2]" 1
2699 1 112 THR HB 1 113 GLU HG3 . . 5.750 4.986 4.699 5.186 . 0 0 "[ . 1 . 2]" 1
2700 1 112 THR MG 1 113 GLU H . . 3.510 3.511 3.422 3.544 0.034 6 0 "[ . 1 . 2]" 1
2701 1 112 THR MG 1 113 GLU HG2 . . 4.210 4.159 3.875 4.231 0.021 14 0 "[ . 1 . 2]" 1
2702 1 112 THR MG 1 115 SER H . . 4.880 4.699 4.586 4.765 . 0 0 "[ . 1 . 2]" 1
2703 1 112 THR MG 1 115 SER QB . . 3.640 3.637 3.496 3.674 0.034 20 0 "[ . 1 . 2]" 1
2704 1 112 THR MG 1 116 LYS H . . 4.560 4.517 4.248 4.600 0.040 13 0 "[ . 1 . 2]" 1
2705 1 113 GLU H 1 113 GLU HB2 . . 3.840 2.658 2.568 2.736 . 0 0 "[ . 1 . 2]" 1
2706 1 113 GLU H 1 113 GLU QB . . 3.360 2.595 2.517 2.662 . 0 0 "[ . 1 . 2]" 1
2707 1 113 GLU H 1 113 GLU HB3 . . 3.840 3.631 3.607 3.648 . 0 0 "[ . 1 . 2]" 1
2708 1 113 GLU H 1 113 GLU HG2 . . 3.290 2.215 2.141 2.244 . 0 0 "[ . 1 . 2]" 1
2709 1 113 GLU H 1 113 GLU HG3 . . 3.700 3.704 3.648 3.719 0.019 11 0 "[ . 1 . 2]" 1
2710 1 113 GLU H 1 114 LEU H . . 3.180 2.588 2.504 2.672 . 0 0 "[ . 1 . 2]" 1
2711 1 113 GLU H 1 115 SER H . . 4.140 3.801 3.709 3.866 . 0 0 "[ . 1 . 2]" 1
2712 1 113 GLU H 1 115 SER QB . . 4.790 4.803 4.696 4.831 0.041 17 0 "[ . 1 . 2]" 1
2713 1 113 GLU HA 1 113 GLU HG2 . . 3.810 3.455 3.375 3.581 . 0 0 "[ . 1 . 2]" 1
2714 1 113 GLU HA 1 113 GLU HG3 . . 3.900 3.833 3.786 3.881 . 0 0 "[ . 1 . 2]" 1
2715 1 113 GLU HA 1 116 LYS H . . 4.170 3.067 2.941 3.229 . 0 0 "[ . 1 . 2]" 1
2716 1 113 GLU HA 1 116 LYS QB . . 3.460 2.876 2.528 3.296 . 0 0 "[ . 1 . 2]" 1
2717 1 113 GLU HA 1 116 LYS QG . . 3.350 2.866 2.244 3.352 0.002 10 0 "[ . 1 . 2]" 1
2718 1 113 GLU HB2 1 114 LEU H . . 4.070 2.700 2.570 2.868 . 0 0 "[ . 1 . 2]" 1
2719 1 113 GLU HB3 1 114 LEU H . . 4.070 3.881 3.744 4.018 . 0 0 "[ . 1 . 2]" 1
2720 1 113 GLU HG2 1 114 LEU H . . 4.290 4.133 3.956 4.240 . 0 0 "[ . 1 . 2]" 1
2721 1 114 LEU H 1 114 LEU HB2 . . 3.230 2.300 2.232 2.406 . 0 0 "[ . 1 . 2]" 1
2722 1 114 LEU H 1 114 LEU HB3 . . 3.070 2.577 2.511 2.649 . 0 0 "[ . 1 . 2]" 1
2723 1 114 LEU H 1 114 LEU MD1 . . 3.990 4.009 3.997 4.037 0.047 8 0 "[ . 1 . 2]" 1
2724 1 114 LEU H 1 114 LEU MD2 . . 4.320 4.129 4.081 4.210 . 0 0 "[ . 1 . 2]" 1
2725 1 114 LEU H 1 115 SER H . . 3.210 2.658 2.523 2.712 . 0 0 "[ . 1 . 2]" 1
2726 1 114 LEU H 1 115 SER HA . . 5.420 5.267 5.187 5.314 . 0 0 "[ . 1 . 2]" 1
2727 1 114 LEU H 1 116 LYS H . . 4.530 4.185 4.113 4.296 . 0 0 "[ . 1 . 2]" 1
2728 1 114 LEU H 1 117 ILE H . . 5.270 5.115 4.989 5.208 . 0 0 "[ . 1 . 2]" 1
2729 1 114 LEU HA 1 114 LEU MD1 . . 2.880 2.105 2.057 2.135 . 0 0 "[ . 1 . 2]" 1
2730 1 114 LEU HA 1 117 ILE H . . 4.130 3.495 3.363 3.685 . 0 0 "[ . 1 . 2]" 1
2731 1 114 LEU HB2 1 114 LEU MD1 . . 3.590 2.458 2.396 2.525 . 0 0 "[ . 1 . 2]" 1
2732 1 114 LEU HB2 1 115 SER H . . 4.020 3.878 3.836 3.915 . 0 0 "[ . 1 . 2]" 1
2733 1 114 LEU HB3 1 114 LEU MD1 . . 3.420 3.256 3.228 3.291 . 0 0 "[ . 1 . 2]" 1
2734 1 114 LEU HB3 1 114 LEU MD2 . . 3.670 2.367 2.339 2.416 . 0 0 "[ . 1 . 2]" 1
2735 1 114 LEU HB3 1 115 SER H . . 3.470 2.750 2.650 2.859 . 0 0 "[ . 1 . 2]" 1
2736 1 114 LEU HB3 1 115 SER HA . . 4.210 4.260 4.242 4.287 0.077 2 0 "[ . 1 . 2]" 1
2737 1 114 LEU MD1 1 115 SER H . . 4.890 4.690 4.558 4.815 . 0 0 "[ . 1 . 2]" 1
2738 1 114 LEU MD2 1 115 SER H . . 4.740 4.669 4.577 4.745 0.005 15 0 "[ . 1 . 2]" 1
2739 1 114 LEU HG 1 115 SER H . . 4.490 4.279 4.125 4.441 . 0 0 "[ . 1 . 2]" 1
2740 1 115 SER H 1 115 SER QB . . 2.820 2.428 2.222 2.507 . 0 0 "[ . 1 . 2]" 1
2741 1 115 SER H 1 116 LYS H . . 3.380 2.680 2.574 2.767 . 0 0 "[ . 1 . 2]" 1
2742 1 115 SER H 1 117 ILE H . . 4.130 4.136 4.032 4.166 0.036 18 0 "[ . 1 . 2]" 1
2743 1 115 SER HA 1 115 SER QB . . 2.780 2.402 2.362 2.519 . 0 0 "[ . 1 . 2]" 1
2744 1 115 SER HA 1 117 ILE HG12 . . 4.930 4.957 4.724 5.009 0.079 12 0 "[ . 1 . 2]" 1
2745 1 115 SER QB 1 116 LYS H . . 3.880 2.927 2.763 3.124 . 0 0 "[ . 1 . 2]" 1
2746 1 116 LYS H 1 116 LYS QB . . 3.380 2.445 2.295 2.560 . 0 0 "[ . 1 . 2]" 1
2747 1 116 LYS H 1 116 LYS QE . . 5.560 4.357 3.564 5.133 . 0 0 "[ . 1 . 2]" 1
2748 1 116 LYS H 1 116 LYS HG2 . . 4.070 3.586 2.344 3.829 . 0 0 "[ . 1 . 2]" 1
2749 1 116 LYS H 1 116 LYS QG . . 3.370 2.365 2.150 2.523 . 0 0 "[ . 1 . 2]" 1
2750 1 116 LYS H 1 116 LYS HG3 . . 4.070 2.460 2.172 3.635 . 0 0 "[ . 1 . 2]" 1
2751 1 116 LYS H 1 117 ILE H . . 3.250 2.650 2.531 2.783 . 0 0 "[ . 1 . 2]" 1
2752 1 116 LYS H 1 117 ILE MD . . 4.630 4.639 4.568 4.666 0.036 5 0 "[ . 1 . 2]" 1
2753 1 116 LYS H 1 117 ILE HG12 . . 4.450 3.892 3.760 4.042 . 0 0 "[ . 1 . 2]" 1
2754 1 116 LYS H 1 118 LYS H . . 4.620 4.360 4.188 4.518 . 0 0 "[ . 1 . 2]" 1
2755 1 116 LYS HA 1 116 LYS QG . . 3.210 2.482 2.323 3.046 . 0 0 "[ . 1 . 2]" 1
2756 1 116 LYS HA 1 118 LYS H . . 4.760 4.147 3.732 4.563 . 0 0 "[ . 1 . 2]" 1
2757 1 116 LYS QG 1 117 ILE H . . 4.640 4.322 4.124 4.464 . 0 0 "[ . 1 . 2]" 1
2758 1 117 ILE H 1 117 ILE HB . . 3.010 2.659 2.492 2.759 . 0 0 "[ . 1 . 2]" 1
2759 1 117 ILE H 1 117 ILE MD . . 3.140 2.963 2.755 3.144 0.004 12 0 "[ . 1 . 2]" 1
2760 1 117 ILE H 1 117 ILE HG12 . . 3.220 1.953 1.887 2.028 . 0 0 "[ . 1 . 2]" 1
2761 1 117 ILE H 1 117 ILE HG13 . . 3.660 3.532 3.483 3.580 . 0 0 "[ . 1 . 2]" 1
2762 1 117 ILE H 1 117 ILE MG . . 3.940 3.819 3.793 3.842 . 0 0 "[ . 1 . 2]" 1
2763 1 117 ILE H 1 118 LYS H . . 3.200 2.645 2.381 2.867 . 0 0 "[ . 1 . 2]" 1
2764 1 117 ILE HA 1 117 ILE MD . . 3.080 2.263 2.177 2.349 . 0 0 "[ . 1 . 2]" 1
2765 1 117 ILE HA 1 117 ILE HG12 . . 3.230 3.262 3.203 3.289 0.059 13 0 "[ . 1 . 2]" 1
2766 1 117 ILE HA 1 117 ILE HG13 . . 3.880 3.847 3.798 3.891 0.011 12 0 "[ . 1 . 2]" 1
2767 1 117 ILE HA 1 117 ILE MG . . 2.860 2.400 2.312 2.548 . 0 0 "[ . 1 . 2]" 1
2768 1 117 ILE HB 1 117 ILE MD . . 3.280 3.284 3.271 3.289 0.009 17 0 "[ . 1 . 2]" 1
2769 1 117 ILE HB 1 118 LYS H . . 3.040 2.532 2.329 2.702 . 0 0 "[ . 1 . 2]" 1
2770 1 117 ILE HB 1 118 LYS HA . . 4.460 4.148 3.839 4.470 0.010 2 0 "[ . 1 . 2]" 1
2771 1 117 ILE HB 1 118 LYS QE . . 4.500 3.678 3.190 4.402 . 0 0 "[ . 1 . 2]" 1
2772 1 117 ILE MD 1 118 LYS H . . 4.600 4.588 4.518 4.621 0.021 20 0 "[ . 1 . 2]" 1
2773 1 117 ILE HG12 1 118 LYS H . . 4.020 3.913 3.664 4.064 0.044 8 0 "[ . 1 . 2]" 1
2774 1 117 ILE HG13 1 117 ILE MG . . 2.900 2.334 2.297 2.384 . 0 0 "[ . 1 . 2]" 1
2775 1 117 ILE HG13 1 118 LYS H . . 5.020 4.778 4.529 4.978 . 0 0 "[ . 1 . 2]" 1
2776 1 117 ILE MG 1 118 LYS H . . 3.630 3.569 3.431 3.654 0.024 20 0 "[ . 1 . 2]" 1
2777 1 117 ILE MG 1 118 LYS HA . . 3.690 3.585 3.147 3.722 0.032 7 0 "[ . 1 . 2]" 1
2778 1 117 ILE MG 1 118 LYS HB2 . . 5.130 5.025 4.711 5.149 0.019 8 0 "[ . 1 . 2]" 1
2779 1 117 ILE MG 1 118 LYS QE . . 4.130 3.936 2.975 4.153 0.023 11 0 "[ . 1 . 2]" 1
2780 1 117 ILE MG 1 118 LYS QG . . 3.380 3.078 2.749 3.352 . 0 0 "[ . 1 . 2]" 1
2781 1 118 LYS H 1 118 LYS HB2 . . 3.040 2.458 2.276 2.612 . 0 0 "[ . 1 . 2]" 1
2782 1 118 LYS H 1 118 LYS QE . . 4.820 4.269 3.299 4.831 0.011 2 0 "[ . 1 . 2]" 1
2783 1 118 LYS H 1 118 LYS QG . . 3.460 2.319 1.975 2.703 . 0 0 "[ . 1 . 2]" 1
2784 1 118 LYS HA 1 118 LYS QE . . 4.900 4.556 4.255 4.803 . 0 0 "[ . 1 . 2]" 1
2785 1 118 LYS HB2 1 118 LYS QE . . 4.390 3.906 2.181 4.243 . 0 0 "[ . 1 . 2]" 1
2786 1 119 LYS H 1 119 LYS QB . . 3.270 2.921 2.374 3.312 0.042 17 0 "[ . 1 . 2]" 1
2787 1 119 LYS H 1 119 LYS QD . . 4.680 4.327 3.110 4.607 . 0 0 "[ . 1 . 2]" 1
2788 1 119 LYS H 1 119 LYS QE . . 5.220 4.725 3.729 5.223 0.003 4 0 "[ . 1 . 2]" 1
2789 1 119 LYS H 1 119 LYS QG . . 3.400 2.664 2.391 3.090 . 0 0 "[ . 1 . 2]" 1
2790 1 119 LYS H 1 120 LYS H . . 3.070 2.830 2.248 3.091 0.021 14 0 "[ . 1 . 2]" 1
2791 1 119 LYS HA 1 119 LYS QD . . 4.050 3.864 2.226 4.061 0.011 15 0 "[ . 1 . 2]" 1
2792 1 119 LYS HA 1 119 LYS QE . . 4.770 4.537 4.047 4.773 0.003 19 0 "[ . 1 . 2]" 1
2793 1 119 LYS HA 1 119 LYS QG . . 3.040 2.423 2.286 2.978 . 0 0 "[ . 1 . 2]" 1
2794 1 119 LYS HA 1 120 LYS H . . 3.090 2.828 2.383 3.165 0.075 18 0 "[ . 1 . 2]" 1
2795 1 120 LYS H 1 120 LYS HB2 . . 2.870 2.513 2.292 2.820 . 0 0 "[ . 1 . 2]" 1
2796 1 120 LYS H 1 120 LYS QE . . 5.170 4.731 4.017 5.198 0.028 2 0 "[ . 1 . 2]" 1
2797 1 120 LYS H 1 120 LYS QG . . 3.160 2.650 1.991 3.171 0.011 18 0 "[ . 1 . 2]" 1
2798 1 120 LYS HA 1 120 LYS HB3 . . 2.750 2.497 2.409 2.625 . 0 0 "[ . 1 . 2]" 1
2799 1 120 LYS HA 1 120 LYS QE . . 4.530 4.427 3.849 4.562 0.032 14 0 "[ . 1 . 2]" 1
2800 1 120 LYS HA 1 120 LYS QG . . 3.140 2.465 2.295 3.144 0.004 19 0 "[ . 1 . 2]" 1
2801 2 1 ASP HA 2 2 THR H . . 2.780 2.350 2.168 2.511 . 0 0 "[ . 1 . 2]" 1
2802 2 1 ASP HA 2 2 THR HA . . 4.850 4.416 4.237 4.582 . 0 0 "[ . 1 . 2]" 1
2803 2 1 ASP HA 2 2 THR MG . . 4.040 3.062 2.546 3.514 . 0 0 "[ . 1 . 2]" 1
2804 2 1 ASP QB 2 2 THR MG . . 4.470 4.449 4.268 4.524 0.054 16 0 "[ . 1 . 2]" 1
2805 2 1 ASP HB2 2 2 THR H . . 4.070 3.732 2.454 4.079 0.009 11 0 "[ . 1 . 2]" 1
2806 2 1 ASP HB2 2 2 THR MG . . 5.250 5.030 4.647 5.282 0.032 8 0 "[ . 1 . 2]" 1
2807 2 1 ASP HB3 2 2 THR H . . 4.070 3.743 3.402 4.083 0.013 11 0 "[ . 1 . 2]" 1
2808 2 1 ASP HB3 2 2 THR MG . . 5.250 4.988 4.801 5.260 0.010 9 0 "[ . 1 . 2]" 1
2809 2 2 THR H 2 2 THR HB . . 4.030 3.825 3.621 3.998 . 0 0 "[ . 1 . 2]" 1
2810 2 2 THR H 2 2 THR MG . . 3.280 2.784 2.324 3.178 . 0 0 "[ . 1 . 2]" 1
2811 2 2 THR H 2 3 SER H . . 4.410 4.445 4.360 4.477 0.067 18 0 "[ . 1 . 2]" 1
2812 2 2 THR HA 2 2 THR HB . . 2.540 2.364 2.317 2.452 . 0 0 "[ . 1 . 2]" 1
2813 2 2 THR HA 2 2 THR MG . . 2.440 2.364 2.253 2.452 0.012 11 0 "[ . 1 . 2]" 1
2814 2 2 THR HA 2 3 SER QB . . 5.090 4.570 4.410 4.797 . 0 0 "[ . 1 . 2]" 1
2815 2 2 THR HB 2 3 SER H . . 4.260 2.276 2.142 2.566 . 0 0 "[ . 1 . 2]" 1
2816 2 2 THR MG 2 3 SER H . . 5.460 3.677 3.516 3.808 . 0 0 "[ . 1 . 2]" 1
2817 2 3 SER HA 2 3 SER QB . . 2.450 2.301 2.168 2.411 . 0 0 "[ . 1 . 2]" 1
2818 2 3 SER HA 2 4 ARG H . . 3.070 2.172 2.090 2.275 . 0 0 "[ . 1 . 2]" 1
2819 2 3 SER QB 2 4 ARG H . . 3.790 2.953 2.533 3.543 . 0 0 "[ . 1 . 2]" 1
2820 2 4 ARG H 2 4 ARG QB . . 3.320 2.262 2.167 2.372 . 0 0 "[ . 1 . 2]" 1
2821 2 4 ARG H 2 4 ARG QD . . 4.380 4.386 4.227 4.452 0.072 14 0 "[ . 1 . 2]" 1
2822 2 4 ARG H 2 4 ARG QG . . 4.400 3.965 3.429 4.168 . 0 0 "[ . 1 . 2]" 1
2823 2 4 ARG HA 2 4 ARG QD . . 3.190 2.407 2.015 3.122 . 0 0 "[ . 1 . 2]" 1
2824 2 4 ARG HA 2 4 ARG QG . . 3.000 2.760 2.435 3.049 0.049 9 0 "[ . 1 . 2]" 1
2825 2 4 ARG HA 2 5 MET HB2 . . 6.000 4.469 4.193 4.697 . 0 0 "[ . 1 . 2]" 1
2826 2 4 ARG QB 2 4 ARG QD . . 2.700 2.374 2.168 2.637 . 0 0 "[ . 1 . 2]" 1
2827 2 4 ARG QB 2 6 GLU QG . . 4.130 5.146 3.802 6.012 1.882 20 15 "[***** *-*1*** *** +]" 1
2828 2 4 ARG HB2 2 4 ARG QD . . 3.300 2.941 2.376 3.337 0.037 5 0 "[ . 1 . 2]" 1
2829 2 4 ARG HB3 2 4 ARG QD . . 3.300 2.818 2.204 3.396 0.096 19 0 "[ . 1 . 2]" 1
2830 2 4 ARG QD 2 5 MET HB2 . . 4.330 4.224 3.904 4.393 0.063 19 0 "[ . 1 . 2]" 1
2831 2 4 ARG QD 2 6 GLU HG2 . . 4.780 4.301 2.114 4.819 0.039 5 0 "[ . 1 . 2]" 1
2832 2 4 ARG QD 2 6 GLU QG . . 3.940 3.508 2.100 4.281 0.341 6 0 "[ . 1 . 2]" 1
2833 2 4 ARG QD 2 6 GLU HG3 . . 4.780 3.997 2.829 4.806 0.026 6 0 "[ . 1 . 2]" 1
2834 2 4 ARG QG 2 6 GLU QG . . 3.890 4.248 2.640 5.513 1.623 14 10 "[* **-* 1 **+* *]" 1
2835 2 5 MET H 2 6 GLU H . . 3.160 2.803 2.223 3.049 . 0 0 "[ . 1 . 2]" 1
2836 2 5 MET HB2 2 5 MET HG3 . . 2.910 2.352 2.271 2.396 . 0 0 "[ . 1 . 2]" 1
2837 2 5 MET ME 2 5 MET HG2 . . 3.480 2.335 2.134 2.418 . 0 0 "[ . 1 . 2]" 1
2838 2 5 MET ME 2 5 MET HG3 . . 3.260 2.567 2.518 2.655 . 0 0 "[ . 1 . 2]" 1
2839 2 5 MET ME 2 6 GLU HA . . 6.000 4.043 3.569 4.719 . 0 0 "[ . 1 . 2]" 1
2840 2 5 MET HG3 2 6 GLU HA . . 6.000 5.229 4.682 5.790 . 0 0 "[ . 1 . 2]" 1
2841 2 6 GLU HA 2 6 GLU HG2 . . 4.070 2.836 2.363 3.811 . 0 0 "[ . 1 . 2]" 1
2842 2 6 GLU HA 2 6 GLU QG . . 3.430 2.705 2.304 3.444 0.014 6 0 "[ . 1 . 2]" 1
2843 2 6 GLU HA 2 6 GLU HG3 . . 4.070 3.482 2.874 4.139 0.069 6 0 "[ . 1 . 2]" 1
2844 2 7 GLU H 2 7 GLU QG . . 4.750 3.446 2.208 4.266 . 0 0 "[ . 1 . 2]" 1
2845 2 7 GLU HA 2 7 GLU HG2 . . 3.730 2.939 2.376 3.768 0.038 14 0 "[ . 1 . 2]" 1
2846 2 7 GLU HA 2 7 GLU HG3 . . 3.730 3.054 2.359 3.782 0.052 7 0 "[ . 1 . 2]" 1
2847 2 7 GLU HA 2 8 VAL H . . 3.480 2.324 2.196 2.533 . 0 0 "[ . 1 . 2]" 1
2848 2 7 GLU HA 2 8 VAL HA . . 4.860 4.540 4.437 4.647 . 0 0 "[ . 1 . 2]" 1
2849 2 7 GLU HA 2 8 VAL QG . . 4.680 3.562 3.287 3.762 . 0 0 "[ . 1 . 2]" 1
2850 2 7 GLU QG 2 8 VAL H . . 4.590 3.256 1.968 4.160 . 0 0 "[ . 1 . 2]" 1
2851 2 7 GLU HG2 2 8 VAL H . . 5.370 3.605 1.976 4.907 . 0 0 "[ . 1 . 2]" 1
2852 2 7 GLU HG3 2 8 VAL H . . 5.370 4.025 2.410 5.206 . 0 0 "[ . 1 . 2]" 1
2853 2 8 VAL H 2 8 VAL QG . . 3.230 2.289 1.969 2.507 . 0 0 "[ . 1 . 2]" 1
2854 2 8 VAL HA 2 8 VAL HB . . 2.790 2.454 2.398 2.480 . 0 0 "[ . 1 . 2]" 1
2855 2 8 VAL HA 2 8 VAL QG . . 2.980 2.246 2.207 2.276 . 0 0 "[ . 1 . 2]" 1
2856 2 8 VAL HA 2 9 ASP HA . . 5.170 4.294 4.084 4.500 . 0 0 "[ . 1 . 2]" 1
2857 2 8 VAL QG 2 9 ASP H . . 3.880 2.906 2.761 3.095 . 0 0 "[ . 1 . 2]" 1
2858 2 8 VAL QG 2 9 ASP HA . . 5.400 4.370 4.208 4.505 . 0 0 "[ . 1 . 2]" 1
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