NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
632453 |
6ccj   |
27396 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6ccj
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 1500
_Distance_constraint_stats_list.Viol_count 2327
_Distance_constraint_stats_list.Viol_total 2390.665
_Distance_constraint_stats_list.Viol_max 0.906
_Distance_constraint_stats_list.Viol_rms 0.0303
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0040
_Distance_constraint_stats_list.Viol_average_violations_only 0.0514
_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 1 SER 0.595 0.483 14 0 "[ . 1 . 2]"
1 2 GLU 0.567 0.483 14 0 "[ . 1 . 2]"
1 3 ALA 0.269 0.060 1 0 "[ . 1 . 2]"
1 4 VAL 0.396 0.062 13 0 "[ . 1 . 2]"
1 5 ILE 0.205 0.025 20 0 "[ . 1 . 2]"
1 6 LYS 1.694 0.162 20 0 "[ . 1 . 2]"
1 7 VAL 2.068 0.287 11 0 "[ . 1 . 2]"
1 8 ILE 6.465 0.390 13 0 "[ . 1 . 2]"
1 9 SER 0.934 0.173 11 0 "[ . 1 . 2]"
1 10 SER 2.870 0.642 11 1 "[ . 1+ . 2]"
1 11 ALA 2.159 0.642 11 1 "[ . 1+ . 2]"
1 12 CYS 2.194 0.347 11 0 "[ . 1 . 2]"
1 13 LYS 3.181 0.266 6 0 "[ . 1 . 2]"
1 14 THR 4.476 0.235 9 0 "[ . 1 . 2]"
1 15 TYR 3.100 0.156 15 0 "[ . 1 . 2]"
1 16 CYS 0.618 0.036 7 0 "[ . 1 . 2]"
1 17 GLY 0.508 0.339 8 0 "[ . 1 . 2]"
1 18 LYS 0.566 0.160 19 0 "[ . 1 . 2]"
1 19 THR 1.542 0.339 8 0 "[ . 1 . 2]"
1 20 SER 0.534 0.148 8 0 "[ . 1 . 2]"
1 21 PRO 0.851 0.067 8 0 "[ . 1 . 2]"
1 22 SER 0.156 0.051 7 0 "[ . 1 . 2]"
1 23 LYS 0.127 0.023 20 0 "[ . 1 . 2]"
1 24 LYS 0.005 0.005 18 0 "[ . 1 . 2]"
1 25 GLU 0.078 0.073 10 0 "[ . 1 . 2]"
1 26 ILE 0.374 0.095 10 0 "[ . 1 . 2]"
1 27 GLY 0.170 0.095 10 0 "[ . 1 . 2]"
1 28 ALA 0.824 0.078 15 0 "[ . 1 . 2]"
1 29 MET 21.590 0.858 11 12 "[ * .*** 1+ **.****-]"
1 30 LEU 7.027 0.497 2 0 "[ . 1 . 2]"
1 31 SER 2.624 0.333 19 0 "[ . 1 . 2]"
1 32 LEU 4.863 0.222 17 0 "[ . 1 . 2]"
1 33 LEU 0.829 0.222 17 0 "[ . 1 . 2]"
1 34 GLN 0.961 0.148 17 0 "[ . 1 . 2]"
1 35 LYS 0.304 0.099 17 0 "[ . 1 . 2]"
1 36 GLU 1.269 0.099 17 0 "[ . 1 . 2]"
1 37 GLY 0.020 0.015 17 0 "[ . 1 . 2]"
1 38 LEU 0.813 0.035 17 0 "[ . 1 . 2]"
1 39 LEU 3.557 0.108 10 0 "[ . 1 . 2]"
1 40 MET 9.077 0.548 1 2 "[+ . 1 . -]"
1 41 SER 8.124 0.459 8 0 "[ . 1 . 2]"
1 42 PRO 3.620 0.179 15 0 "[ . 1 . 2]"
1 43 SER 1.030 0.100 19 0 "[ . 1 . 2]"
1 44 ASP 0.581 0.048 10 0 "[ . 1 . 2]"
1 45 LEU 2.178 0.565 7 1 "[ . + 1 . 2]"
1 46 TYR 2.514 0.565 7 1 "[ . + 1 . 2]"
1 47 SER 0.188 0.036 16 0 "[ . 1 . 2]"
1 48 PRO 1.349 0.131 16 0 "[ . 1 . 2]"
1 49 GLY 0.031 0.019 8 0 "[ . 1 . 2]"
1 50 SER 2.340 0.521 18 1 "[ . 1 . + 2]"
1 51 TRP 10.202 0.521 18 1 "[ . 1 . + 2]"
1 52 ASP 2.381 0.114 7 0 "[ . 1 . 2]"
1 53 PRO 0.177 0.094 18 0 "[ . 1 . 2]"
1 54 ILE 2.513 0.316 6 0 "[ . 1 . 2]"
1 55 THR 2.863 0.314 6 0 "[ . 1 . 2]"
1 56 ALA 0.419 0.223 19 0 "[ . 1 . 2]"
1 57 ALA 0.277 0.031 10 0 "[ . 1 . 2]"
1 58 LEU 0.420 0.033 10 0 "[ . 1 . 2]"
1 59 SER 0.600 0.223 19 0 "[ . 1 . 2]"
1 60 GLN 1.100 0.118 10 0 "[ . 1 . 2]"
1 61 ARG 0.469 0.074 18 0 "[ . 1 . 2]"
1 62 ALA 1.151 0.112 4 0 "[ . 1 . 2]"
1 63 MET 0.031 0.014 7 0 "[ . 1 . 2]"
1 64 ILE 0.910 0.074 18 0 "[ . 1 . 2]"
1 65 LEU 0.198 0.054 11 0 "[ . 1 . 2]"
1 66 GLY 0.068 0.024 11 0 "[ . 1 . 2]"
1 67 LYS 1.853 0.112 4 0 "[ . 1 . 2]"
1 68 SER 1.635 0.240 3 0 "[ . 1 . 2]"
1 69 GLY 0.252 0.085 10 0 "[ . 1 . 2]"
1 70 GLU 8.718 0.858 11 6 "[ . - 1+ * .* **2]"
1 71 LEU 4.099 0.284 3 0 "[ . 1 . 2]"
1 72 LYS 0.349 0.085 10 0 "[ . 1 . 2]"
1 73 THR 7.078 0.595 11 7 "[ * .* * 1+ *. * -]"
1 74 TRP 4.337 0.122 19 0 "[ . 1 . 2]"
1 75 GLY 3.146 0.602 12 2 "[ . - + . 2]"
1 76 LEU 3.024 0.193 10 0 "[ . 1 . 2]"
1 77 VAL 3.152 0.193 10 0 "[ . 1 . 2]"
1 78 LEU 4.141 0.602 12 3 "[ . - + . * 2]"
1 79 GLY 0.181 0.046 16 0 "[ . 1 . 2]"
1 80 ALA 1.435 0.173 16 0 "[ . 1 . 2]"
1 81 LEU 1.558 0.200 16 0 "[ . 1 . 2]"
1 82 LYS 5.519 0.538 16 2 "[ . 1 .+- 2]"
1 83 ALA 1.447 0.295 3 0 "[ . 1 . 2]"
1 84 ALA 4.208 0.906 15 5 "[ * 1 ** + - 2]"
1 85 ARG 4.307 0.906 15 5 "[ * 1 ** + - 2]"
1 86 GLU 1.219 0.399 19 0 "[ . 1 . 2]"
1 87 GLU 2.267 0.512 19 2 "[ . 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 1 SER HA 1 1 SER QB . . 2.790 2.240 2.158 2.499 . 0 0 "[ . 1 . 2]" 1
2 1 1 SER HA 1 2 GLU QG . . 5.130 4.781 4.242 5.613 0.483 14 0 "[ . 1 . 2]" 1
3 1 1 SER HA 1 4 VAL H . . 5.290 3.663 3.132 4.820 . 0 0 "[ . 1 . 2]" 1
4 1 1 SER HA 1 4 VAL MG1 . . 5.130 3.850 2.237 5.192 0.062 13 0 "[ . 1 . 2]" 1
5 1 1 SER HA 1 4 VAL MG2 . . 5.320 4.048 2.349 5.332 0.012 14 0 "[ . 1 . 2]" 1
6 1 1 SER HA 1 5 ILE H . . 5.180 5.073 4.493 5.185 0.005 14 0 "[ . 1 . 2]" 1
7 1 1 SER QB 1 4 VAL H . . 4.740 4.242 2.662 4.547 . 0 0 "[ . 1 . 2]" 1
8 1 1 SER QB 1 4 VAL MG1 . . 5.140 3.297 1.826 4.869 . 0 0 "[ . 1 . 2]" 1
9 1 1 SER QB 1 5 ILE H . . 5.500 4.746 3.495 5.161 . 0 0 "[ . 1 . 2]" 1
10 1 1 SER QB 1 42 PRO HG2 . . 4.490 2.885 2.178 3.481 . 0 0 "[ . 1 . 2]" 1
11 1 1 SER QB 1 42 PRO HG3 . . 4.260 2.218 1.955 2.561 . 0 0 "[ . 1 . 2]" 1
12 1 2 GLU HA 1 2 GLU QG . . 3.500 2.900 2.131 3.386 . 0 0 "[ . 1 . 2]" 1
13 1 2 GLU HA 1 5 ILE H . . 3.820 3.511 3.117 3.793 . 0 0 "[ . 1 . 2]" 1
14 1 2 GLU HA 1 5 ILE HB . . 3.310 3.159 2.763 3.331 0.021 13 0 "[ . 1 . 2]" 1
15 1 2 GLU HA 1 5 ILE MD . . 3.480 2.753 2.397 3.161 . 0 0 "[ . 1 . 2]" 1
16 1 2 GLU QB 1 2 GLU QG . . 2.490 2.064 2.018 2.086 . 0 0 "[ . 1 . 2]" 1
17 1 2 GLU QB 1 3 ALA H . . 4.010 3.034 2.103 3.599 . 0 0 "[ . 1 . 2]" 1
18 1 2 GLU QB 1 3 ALA MB . . 5.090 4.228 3.432 4.674 . 0 0 "[ . 1 . 2]" 1
19 1 2 GLU QB 1 5 ILE MD . . 4.380 4.103 3.517 4.387 0.007 5 0 "[ . 1 . 2]" 1
20 1 2 GLU QG 1 3 ALA H . . 5.500 2.973 1.935 4.414 . 0 0 "[ . 1 . 2]" 1
21 1 2 GLU QG 1 5 ILE H . . 5.500 5.296 4.563 5.502 0.002 3 0 "[ . 1 . 2]" 1
22 1 2 GLU QG 1 6 LYS QE . . 4.840 3.731 2.115 4.852 0.012 1 0 "[ . 1 . 2]" 1
23 1 3 ALA H 1 3 ALA MB . . 3.580 2.134 2.029 2.238 . 0 0 "[ . 1 . 2]" 1
24 1 3 ALA H 1 4 VAL H . . 4.110 2.682 2.326 2.880 . 0 0 "[ . 1 . 2]" 1
25 1 3 ALA H 1 4 VAL HA . . 5.500 5.278 4.991 5.433 . 0 0 "[ . 1 . 2]" 1
26 1 3 ALA H 1 5 ILE H . . 5.500 4.229 3.978 4.625 . 0 0 "[ . 1 . 2]" 1
27 1 3 ALA H 1 6 LYS QG . . 5.500 4.810 4.171 5.307 . 0 0 "[ . 1 . 2]" 1
28 1 3 ALA HA 1 6 LYS H . . 3.900 3.402 3.117 3.701 . 0 0 "[ . 1 . 2]" 1
29 1 3 ALA HA 1 6 LYS QB . . 3.280 2.873 2.330 3.340 0.060 1 0 "[ . 1 . 2]" 1
30 1 3 ALA HA 1 6 LYS QD . . 4.150 2.815 1.987 4.174 0.024 7 0 "[ . 1 . 2]" 1
31 1 3 ALA HA 1 6 LYS QE . . 4.700 2.255 1.975 3.876 . 0 0 "[ . 1 . 2]" 1
32 1 3 ALA HA 1 6 LYS QG . . 4.590 2.902 1.982 3.596 . 0 0 "[ . 1 . 2]" 1
33 1 3 ALA HA 1 7 VAL H . . 4.770 4.431 3.698 4.772 0.002 7 0 "[ . 1 . 2]" 1
34 1 3 ALA HA 1 7 VAL MG2 . . 4.970 3.995 3.320 4.682 . 0 0 "[ . 1 . 2]" 1
35 1 3 ALA MB 1 4 VAL H . . 3.830 2.712 2.435 3.008 . 0 0 "[ . 1 . 2]" 1
36 1 3 ALA MB 1 4 VAL HA . . 4.530 3.801 3.662 3.952 . 0 0 "[ . 1 . 2]" 1
37 1 3 ALA MB 1 4 VAL MG1 . . 5.160 4.545 3.872 5.099 . 0 0 "[ . 1 . 2]" 1
38 1 3 ALA MB 1 5 ILE H . . 4.820 4.537 4.213 4.822 0.002 19 0 "[ . 1 . 2]" 1
39 1 3 ALA MB 1 6 LYS QE . . 5.040 3.156 2.063 5.047 0.007 7 0 "[ . 1 . 2]" 1
40 1 3 ALA MB 1 7 VAL MG2 . . 4.720 3.437 2.708 4.023 . 0 0 "[ . 1 . 2]" 1
41 1 4 VAL H 1 4 VAL HB . . 3.150 2.580 2.425 2.699 . 0 0 "[ . 1 . 2]" 1
42 1 4 VAL H 1 5 ILE H . . 3.280 2.633 2.288 2.914 . 0 0 "[ . 1 . 2]" 1
43 1 4 VAL H 1 5 ILE HA . . 5.500 5.239 4.966 5.456 . 0 0 "[ . 1 . 2]" 1
44 1 4 VAL H 1 5 ILE HG13 . . 4.820 4.189 3.682 4.646 . 0 0 "[ . 1 . 2]" 1
45 1 4 VAL H 1 6 LYS QG . . 5.500 4.948 4.304 5.325 . 0 0 "[ . 1 . 2]" 1
46 1 4 VAL HA 1 4 VAL MG1 . . 3.280 2.793 2.344 3.203 . 0 0 "[ . 1 . 2]" 1
47 1 4 VAL HA 1 4 VAL MG2 . . 3.080 2.304 2.190 2.388 . 0 0 "[ . 1 . 2]" 1
48 1 4 VAL HA 1 7 VAL HB . . 3.440 3.237 2.891 3.459 0.019 7 0 "[ . 1 . 2]" 1
49 1 4 VAL HA 1 7 VAL MG2 . . 3.790 2.659 2.157 3.430 . 0 0 "[ . 1 . 2]" 1
50 1 4 VAL HA 1 46 TYR QE . . 4.780 3.832 3.449 4.096 . 0 0 "[ . 1 . 2]" 1
51 1 4 VAL MG1 1 5 ILE HA . . 3.690 3.409 3.235 3.715 0.025 20 0 "[ . 1 . 2]" 1
52 1 4 VAL MG1 1 42 PRO HA . . 4.700 4.050 3.609 4.663 . 0 0 "[ . 1 . 2]" 1
53 1 4 VAL MG1 1 42 PRO HB2 . . 3.980 2.058 1.923 2.462 . 0 0 "[ . 1 . 2]" 1
54 1 4 VAL MG1 1 42 PRO HG2 . . 4.350 2.868 2.075 3.640 . 0 0 "[ . 1 . 2]" 1
55 1 4 VAL MG1 1 42 PRO HG3 . . 4.290 3.519 2.599 4.309 0.019 20 0 "[ . 1 . 2]" 1
56 1 4 VAL MG1 1 43 SER HA . . 4.270 3.408 2.052 4.280 0.010 1 0 "[ . 1 . 2]" 1
57 1 4 VAL MG2 1 42 PRO HA . . 4.490 4.184 3.660 4.498 0.008 9 0 "[ . 1 . 2]" 1
58 1 4 VAL MG2 1 42 PRO HB2 . . 3.770 2.515 2.122 2.765 . 0 0 "[ . 1 . 2]" 1
59 1 4 VAL MG2 1 42 PRO HD2 . . 5.500 4.408 3.747 5.174 . 0 0 "[ . 1 . 2]" 1
60 1 4 VAL MG2 1 42 PRO HD3 . . 5.460 5.059 4.616 5.501 0.041 17 0 "[ . 1 . 2]" 1
61 1 4 VAL MG2 1 42 PRO HG2 . . 4.410 2.689 1.969 3.624 . 0 0 "[ . 1 . 2]" 1
62 1 4 VAL MG2 1 43 SER H . . 4.820 3.184 2.643 3.643 . 0 0 "[ . 1 . 2]" 1
63 1 4 VAL MG2 1 43 SER HA . . 3.760 2.295 1.902 2.743 . 0 0 "[ . 1 . 2]" 1
64 1 4 VAL MG2 1 43 SER HB3 . . 3.680 2.794 2.207 3.533 . 0 0 "[ . 1 . 2]" 1
65 1 4 VAL MG2 1 46 TYR QD . . 4.920 4.633 4.223 4.931 0.011 13 0 "[ . 1 . 2]" 1
66 1 4 VAL MG2 1 46 TYR QE . . 4.000 3.186 2.787 3.382 . 0 0 "[ . 1 . 2]" 1
67 1 5 ILE H 1 5 ILE HB . . 2.980 2.538 2.494 2.607 . 0 0 "[ . 1 . 2]" 1
68 1 5 ILE H 1 5 ILE HG13 . . 3.320 2.213 1.960 2.531 . 0 0 "[ . 1 . 2]" 1
69 1 5 ILE H 1 6 LYS H . . 3.510 2.468 2.125 2.721 . 0 0 "[ . 1 . 2]" 1
70 1 5 ILE H 1 6 LYS QE . . 5.500 4.783 3.676 5.497 . 0 0 "[ . 1 . 2]" 1
71 1 5 ILE H 1 6 LYS QG . . 5.390 4.174 3.642 4.594 . 0 0 "[ . 1 . 2]" 1
72 1 5 ILE HA 1 5 ILE HG12 . . 3.770 2.608 2.507 2.838 . 0 0 "[ . 1 . 2]" 1
73 1 5 ILE HA 1 5 ILE HG13 . . 3.720 2.947 2.663 3.068 . 0 0 "[ . 1 . 2]" 1
74 1 5 ILE HA 1 5 ILE MG . . 3.370 2.318 2.233 2.389 . 0 0 "[ . 1 . 2]" 1
75 1 5 ILE HA 1 7 VAL H . . 5.340 4.118 3.694 4.378 . 0 0 "[ . 1 . 2]" 1
76 1 5 ILE HA 1 8 ILE H . . 4.260 3.512 3.302 3.756 . 0 0 "[ . 1 . 2]" 1
77 1 5 ILE HA 1 8 ILE MG . . 4.710 4.610 4.296 4.717 0.007 8 0 "[ . 1 . 2]" 1
78 1 5 ILE HA 1 9 SER H . . 4.520 4.014 3.643 4.376 . 0 0 "[ . 1 . 2]" 1
79 1 5 ILE HB 1 5 ILE MD . . 2.940 2.301 2.153 2.417 . 0 0 "[ . 1 . 2]" 1
80 1 5 ILE MD 1 27 GLY QA . . 3.690 2.877 2.038 3.252 . 0 0 "[ . 1 . 2]" 1
81 1 5 ILE HG12 1 27 GLY QA . . 4.710 4.018 3.448 4.330 . 0 0 "[ . 1 . 2]" 1
82 1 5 ILE MG 1 6 LYS H . . 3.980 3.697 3.330 3.889 . 0 0 "[ . 1 . 2]" 1
83 1 5 ILE MG 1 6 LYS HA . . 3.910 3.694 3.499 3.859 . 0 0 "[ . 1 . 2]" 1
84 1 5 ILE MG 1 23 LYS HA . . 3.670 3.424 2.682 3.684 0.014 13 0 "[ . 1 . 2]" 1
85 1 5 ILE MG 1 23 LYS QG . . 4.110 3.178 2.435 4.133 0.023 20 0 "[ . 1 . 2]" 1
86 1 6 LYS H 1 6 LYS QB . . 2.900 2.343 2.147 2.505 . 0 0 "[ . 1 . 2]" 1
87 1 6 LYS H 1 6 LYS QD . . 4.240 4.020 3.563 4.284 0.044 20 0 "[ . 1 . 2]" 1
88 1 6 LYS H 1 6 LYS QE . . 5.500 3.691 2.618 4.443 . 0 0 "[ . 1 . 2]" 1
89 1 6 LYS H 1 6 LYS QG . . 3.980 2.485 2.102 2.923 . 0 0 "[ . 1 . 2]" 1
90 1 6 LYS H 1 7 VAL H . . 3.450 2.482 2.299 2.769 . 0 0 "[ . 1 . 2]" 1
91 1 6 LYS H 1 7 VAL HA . . 5.500 5.111 4.963 5.343 . 0 0 "[ . 1 . 2]" 1
92 1 6 LYS H 1 7 VAL HB . . 5.180 4.769 4.548 5.040 . 0 0 "[ . 1 . 2]" 1
93 1 6 LYS H 1 7 VAL MG2 . . 5.420 3.910 3.756 4.221 . 0 0 "[ . 1 . 2]" 1
94 1 6 LYS H 1 8 ILE H . . 5.230 4.142 3.921 4.348 . 0 0 "[ . 1 . 2]" 1
95 1 6 LYS H 1 9 SER H . . 4.890 4.616 4.492 4.755 . 0 0 "[ . 1 . 2]" 1
96 1 6 LYS HA 1 6 LYS QG . . 3.600 2.787 2.300 3.332 . 0 0 "[ . 1 . 2]" 1
97 1 6 LYS HA 1 7 VAL H . . 3.500 3.480 3.356 3.517 0.017 7 0 "[ . 1 . 2]" 1
98 1 6 LYS HA 1 8 ILE H . . 4.490 4.348 4.046 4.500 0.010 11 0 "[ . 1 . 2]" 1
99 1 6 LYS QB 1 6 LYS QE . . 3.780 2.903 1.972 3.516 . 0 0 "[ . 1 . 2]" 1
100 1 6 LYS QB 1 7 VAL H . . 3.310 3.121 2.661 3.472 0.162 20 0 "[ . 1 . 2]" 1
101 1 6 LYS QB 1 7 VAL MG2 . . 4.160 3.546 3.075 4.143 . 0 0 "[ . 1 . 2]" 1
102 1 6 LYS QE 1 6 LYS QG . . 3.380 2.095 1.947 2.309 . 0 0 "[ . 1 . 2]" 1
103 1 6 LYS QE 1 7 VAL H . . 5.500 4.867 3.759 5.507 0.007 13 0 "[ . 1 . 2]" 1
104 1 7 VAL H 1 7 VAL HB . . 3.140 2.532 2.476 2.607 . 0 0 "[ . 1 . 2]" 1
105 1 7 VAL H 1 7 VAL MG1 . . 4.130 3.770 3.760 3.807 . 0 0 "[ . 1 . 2]" 1
106 1 7 VAL H 1 7 VAL MG2 . . 3.430 2.279 2.057 2.538 . 0 0 "[ . 1 . 2]" 1
107 1 7 VAL H 1 8 ILE H . . 3.430 2.543 2.195 2.709 . 0 0 "[ . 1 . 2]" 1
108 1 7 VAL H 1 9 SER H . . 4.790 3.855 3.472 4.071 . 0 0 "[ . 1 . 2]" 1
109 1 7 VAL H 1 10 SER H . . 5.500 4.895 4.664 5.108 . 0 0 "[ . 1 . 2]" 1
110 1 7 VAL H 1 46 TYR QE . . 5.500 5.500 5.415 5.529 0.029 5 0 "[ . 1 . 2]" 1
111 1 7 VAL HA 1 7 VAL MG1 . . 3.150 2.355 2.307 2.404 . 0 0 "[ . 1 . 2]" 1
112 1 7 VAL HA 1 7 VAL MG2 . . 3.060 2.368 2.287 2.411 . 0 0 "[ . 1 . 2]" 1
113 1 7 VAL HA 1 10 SER H . . 3.970 3.880 3.549 3.984 0.014 20 0 "[ . 1 . 2]" 1
114 1 7 VAL HA 1 10 SER HB3 . . 4.460 3.401 2.896 4.747 0.287 11 0 "[ . 1 . 2]" 1
115 1 7 VAL HB 1 8 ILE H . . 3.440 2.683 2.525 2.954 . 0 0 "[ . 1 . 2]" 1
116 1 7 VAL HB 1 8 ILE MD . . 4.330 3.885 3.450 4.356 0.026 20 0 "[ . 1 . 2]" 1
117 1 7 VAL HB 1 9 SER H . . 5.160 4.905 4.730 5.146 . 0 0 "[ . 1 . 2]" 1
118 1 7 VAL HB 1 46 TYR QE . . 4.400 3.351 3.093 3.712 . 0 0 "[ . 1 . 2]" 1
119 1 7 VAL MG1 1 8 ILE H . . 3.630 3.529 3.362 3.642 0.012 13 0 "[ . 1 . 2]" 1
120 1 7 VAL MG1 1 11 ALA MB . . 3.960 3.271 2.737 3.624 . 0 0 "[ . 1 . 2]" 1
121 1 7 VAL MG1 1 46 TYR QD . . 4.750 4.131 3.849 4.586 . 0 0 "[ . 1 . 2]" 1
122 1 7 VAL MG1 1 46 TYR QE . . 3.620 2.620 2.268 3.319 . 0 0 "[ . 1 . 2]" 1
123 1 7 VAL MG2 1 8 ILE HA . . 5.500 5.415 5.380 5.463 . 0 0 "[ . 1 . 2]" 1
124 1 7 VAL MG2 1 11 ALA MB . . 5.500 5.257 4.778 5.503 0.003 11 0 "[ . 1 . 2]" 1
125 1 7 VAL MG2 1 46 TYR QD . . 5.460 5.239 5.023 5.467 0.007 16 0 "[ . 1 . 2]" 1
126 1 7 VAL MG2 1 46 TYR QE . . 4.510 3.635 3.435 3.835 . 0 0 "[ . 1 . 2]" 1
127 1 8 ILE H 1 8 ILE HB . . 2.830 2.506 2.477 2.557 . 0 0 "[ . 1 . 2]" 1
128 1 8 ILE H 1 8 ILE MD . . 4.010 3.110 2.552 3.771 . 0 0 "[ . 1 . 2]" 1
129 1 8 ILE H 1 8 ILE HG12 . . 3.650 3.805 3.441 4.040 0.390 13 0 "[ . 1 . 2]" 1
130 1 8 ILE H 1 9 SER H . . 3.530 2.373 2.185 2.516 . 0 0 "[ . 1 . 2]" 1
131 1 8 ILE H 1 10 SER H . . 4.970 3.818 3.572 4.016 . 0 0 "[ . 1 . 2]" 1
132 1 8 ILE H 1 11 ALA MB . . 5.500 4.644 4.302 5.004 . 0 0 "[ . 1 . 2]" 1
133 1 8 ILE HA 1 8 ILE MD . . 3.770 3.823 3.776 3.878 0.108 15 0 "[ . 1 . 2]" 1
134 1 8 ILE HA 1 8 ILE HG12 . . 3.510 2.864 2.509 3.140 . 0 0 "[ . 1 . 2]" 1
135 1 8 ILE HA 1 8 ILE HG13 . . 3.730 2.689 2.462 3.123 . 0 0 "[ . 1 . 2]" 1
136 1 8 ILE HA 1 8 ILE MG . . 3.200 2.390 2.358 2.407 . 0 0 "[ . 1 . 2]" 1
137 1 8 ILE HA 1 11 ALA H . . 3.740 3.159 2.913 3.619 . 0 0 "[ . 1 . 2]" 1
138 1 8 ILE HA 1 11 ALA MB . . 3.440 2.548 2.025 2.920 . 0 0 "[ . 1 . 2]" 1
139 1 8 ILE HA 1 12 CYS H . . 4.270 3.711 3.224 4.112 . 0 0 "[ . 1 . 2]" 1
140 1 8 ILE HB 1 8 ILE MD . . 3.010 2.230 2.047 2.405 . 0 0 "[ . 1 . 2]" 1
141 1 8 ILE HB 1 9 SER H . . 3.320 2.827 2.641 3.052 . 0 0 "[ . 1 . 2]" 1
142 1 8 ILE HB 1 10 SER H . . 4.950 4.813 4.684 4.956 0.006 7 0 "[ . 1 . 2]" 1
143 1 8 ILE MD 1 8 ILE MG . . 3.050 2.384 1.917 2.739 . 0 0 "[ . 1 . 2]" 1
144 1 8 ILE MD 1 29 MET ME . . 3.460 3.447 3.183 3.499 0.039 19 0 "[ . 1 . 2]" 1
145 1 8 ILE MD 1 46 TYR QD . . 4.930 4.824 4.099 4.945 0.015 19 0 "[ . 1 . 2]" 1
146 1 8 ILE MD 1 46 TYR QE . . 4.190 3.540 2.682 4.123 . 0 0 "[ . 1 . 2]" 1
147 1 8 ILE HG12 1 9 SER H . . 5.210 5.185 4.960 5.383 0.173 11 0 "[ . 1 . 2]" 1
148 1 8 ILE HG12 1 11 ALA MB . . 5.500 4.591 3.903 5.066 . 0 0 "[ . 1 . 2]" 1
149 1 8 ILE HG12 1 46 TYR QE . . 4.590 3.708 1.992 4.291 . 0 0 "[ . 1 . 2]" 1
150 1 8 ILE HG13 1 11 ALA MB . . 5.060 4.577 3.934 5.336 0.276 10 0 "[ . 1 . 2]" 1
151 1 8 ILE HG13 1 46 TYR QE . . 4.550 3.192 2.372 3.824 . 0 0 "[ . 1 . 2]" 1
152 1 8 ILE MG 1 9 SER H . . 3.890 3.596 3.421 3.743 . 0 0 "[ . 1 . 2]" 1
153 1 8 ILE MG 1 9 SER HA . . 4.010 3.506 3.378 3.622 . 0 0 "[ . 1 . 2]" 1
154 1 8 ILE MG 1 10 SER H . . 4.820 4.540 4.470 4.790 . 0 0 "[ . 1 . 2]" 1
155 1 8 ILE MG 1 11 ALA H . . 5.080 4.394 4.074 4.992 . 0 0 "[ . 1 . 2]" 1
156 1 8 ILE MG 1 11 ALA MB . . 4.760 3.707 3.282 4.179 . 0 0 "[ . 1 . 2]" 1
157 1 8 ILE MG 1 12 CYS H . . 4.930 3.750 3.283 4.159 . 0 0 "[ . 1 . 2]" 1
158 1 8 ILE MG 1 29 MET ME . . 4.450 3.824 3.560 4.043 . 0 0 "[ . 1 . 2]" 1
159 1 8 ILE MG 1 46 TYR QE . . 5.410 5.166 3.912 5.430 0.020 19 0 "[ . 1 . 2]" 1
160 1 8 ILE MG 1 80 ALA MB . . 4.960 3.392 3.110 3.665 . 0 0 "[ . 1 . 2]" 1
161 1 8 ILE MG 1 81 LEU H . . 5.010 4.817 4.452 5.041 0.031 15 0 "[ . 1 . 2]" 1
162 1 8 ILE MG 1 81 LEU QD . . 4.980 3.237 2.512 3.511 . 0 0 "[ . 1 . 2]" 1
163 1 9 SER H 1 9 SER QB . . 2.840 2.297 2.143 2.509 . 0 0 "[ . 1 . 2]" 1
164 1 9 SER H 1 10 SER H . . 3.360 2.538 2.300 2.660 . 0 0 "[ . 1 . 2]" 1
165 1 9 SER H 1 10 SER HA . . 5.500 5.142 4.952 5.286 . 0 0 "[ . 1 . 2]" 1
166 1 9 SER H 1 11 ALA H . . 5.230 4.024 3.855 4.507 . 0 0 "[ . 1 . 2]" 1
167 1 9 SER HA 1 12 CYS H . . 4.440 3.947 3.641 4.242 . 0 0 "[ . 1 . 2]" 1
168 1 9 SER HA 1 12 CYS HB2 . . 3.300 3.216 2.881 3.338 0.038 6 0 "[ . 1 . 2]" 1
169 1 9 SER HA 1 26 ILE MD . . 3.160 3.011 2.485 3.175 0.015 20 0 "[ . 1 . 2]" 1
170 1 9 SER QB 1 26 ILE MD . . 3.020 2.561 2.199 2.808 . 0 0 "[ . 1 . 2]" 1
171 1 10 SER H 1 10 SER HB3 . . 2.920 2.643 2.373 3.427 0.507 11 1 "[ . 1+ . 2]" 1
172 1 10 SER H 1 11 ALA MB . . 4.940 3.738 3.623 3.881 . 0 0 "[ . 1 . 2]" 1
173 1 10 SER H 1 12 CYS H . . 4.350 3.585 3.334 3.794 . 0 0 "[ . 1 . 2]" 1
174 1 10 SER H 1 12 CYS HB2 . . 5.500 4.739 4.437 4.975 . 0 0 "[ . 1 . 2]" 1
175 1 10 SER H 1 13 LYS H . . 4.690 4.680 4.582 4.733 0.043 9 0 "[ . 1 . 2]" 1
176 1 10 SER H 1 26 ILE MD . . 5.450 5.319 4.940 5.458 0.008 12 0 "[ . 1 . 2]" 1
177 1 10 SER HA 1 11 ALA MB . . 5.040 4.966 4.915 5.030 . 0 0 "[ . 1 . 2]" 1
178 1 10 SER HA 1 13 LYS QB . . 3.620 3.500 3.163 3.886 0.266 6 0 "[ . 1 . 2]" 1
179 1 10 SER HB3 1 11 ALA H . . 3.230 3.074 2.696 3.872 0.642 11 1 "[ . 1+ . 2]" 1
180 1 10 SER HB3 1 12 CYS H . . 5.500 5.199 4.995 5.847 0.347 11 0 "[ . 1 . 2]" 1
181 1 11 ALA H 1 11 ALA MB . . 3.100 2.197 2.087 2.310 . 0 0 "[ . 1 . 2]" 1
182 1 11 ALA H 1 12 CYS H . . 3.310 2.357 2.075 2.823 . 0 0 "[ . 1 . 2]" 1
183 1 11 ALA H 1 12 CYS HB2 . . 5.380 4.274 4.012 4.743 . 0 0 "[ . 1 . 2]" 1
184 1 11 ALA H 1 13 LYS QG . . 4.730 4.379 3.831 4.626 . 0 0 "[ . 1 . 2]" 1
185 1 11 ALA HA 1 14 THR H . . 4.050 3.642 3.343 3.816 . 0 0 "[ . 1 . 2]" 1
186 1 11 ALA HA 1 14 THR HB . . 3.260 3.116 3.006 3.251 . 0 0 "[ . 1 . 2]" 1
187 1 11 ALA HA 1 14 THR MG . . 4.420 4.448 4.424 4.493 0.073 6 0 "[ . 1 . 2]" 1
188 1 11 ALA HA 1 15 TYR QD . . 3.990 3.390 3.154 3.584 . 0 0 "[ . 1 . 2]" 1
189 1 11 ALA HA 1 15 TYR QE . . 4.260 3.828 3.491 4.255 . 0 0 "[ . 1 . 2]" 1
190 1 11 ALA MB 1 12 CYS H . . 3.650 2.812 2.486 3.191 . 0 0 "[ . 1 . 2]" 1
191 1 11 ALA MB 1 12 CYS HA . . 4.340 3.844 3.689 3.955 . 0 0 "[ . 1 . 2]" 1
192 1 11 ALA MB 1 14 THR H . . 5.050 4.582 4.286 4.870 . 0 0 "[ . 1 . 2]" 1
193 1 11 ALA MB 1 14 THR HB . . 4.500 4.343 4.067 4.576 0.076 6 0 "[ . 1 . 2]" 1
194 1 11 ALA MB 1 15 TYR HB2 . . 5.500 4.119 3.769 4.456 . 0 0 "[ . 1 . 2]" 1
195 1 11 ALA MB 1 15 TYR QD . . 3.980 3.288 2.163 3.861 . 0 0 "[ . 1 . 2]" 1
196 1 11 ALA MB 1 15 TYR QE . . 4.330 3.398 1.961 3.903 . 0 0 "[ . 1 . 2]" 1
197 1 11 ALA MB 1 80 ALA HA . . 4.900 4.750 4.319 4.920 0.020 9 0 "[ . 1 . 2]" 1
198 1 11 ALA MB 1 81 LEU HA . . 4.630 4.618 4.433 4.667 0.037 20 0 "[ . 1 . 2]" 1
199 1 11 ALA MB 1 81 LEU QD . . 3.890 3.602 3.039 3.849 . 0 0 "[ . 1 . 2]" 1
200 1 12 CYS H 1 12 CYS HB2 . . 3.300 2.238 2.214 2.272 . 0 0 "[ . 1 . 2]" 1
201 1 12 CYS H 1 13 LYS H . . 3.440 2.513 2.249 2.785 . 0 0 "[ . 1 . 2]" 1
202 1 12 CYS H 1 13 LYS QB . . 5.000 4.733 4.466 4.961 . 0 0 "[ . 1 . 2]" 1
203 1 12 CYS H 1 13 LYS QD . . 5.500 5.083 4.454 5.251 . 0 0 "[ . 1 . 2]" 1
204 1 12 CYS H 1 14 THR H . . 5.180 3.934 3.637 4.093 . 0 0 "[ . 1 . 2]" 1
205 1 12 CYS HA 1 13 LYS H . . 3.460 3.505 3.453 3.539 0.079 6 0 "[ . 1 . 2]" 1
206 1 12 CYS HA 1 14 THR H . . 4.400 3.771 3.581 4.215 . 0 0 "[ . 1 . 2]" 1
207 1 12 CYS HA 1 15 TYR H . . 4.630 3.174 2.992 3.415 . 0 0 "[ . 1 . 2]" 1
208 1 12 CYS HA 1 15 TYR HB2 . . 4.570 2.689 2.585 2.798 . 0 0 "[ . 1 . 2]" 1
209 1 12 CYS HA 1 15 TYR HB3 . . 4.220 4.228 4.097 4.278 0.058 1 0 "[ . 1 . 2]" 1
210 1 12 CYS HA 1 15 TYR QD . . 4.500 4.096 3.049 4.460 . 0 0 "[ . 1 . 2]" 1
211 1 12 CYS HA 1 16 CYS H . . 3.830 2.626 2.140 3.048 . 0 0 "[ . 1 . 2]" 1
212 1 12 CYS HA 1 16 CYS HB2 . . 4.160 3.492 2.522 4.172 0.012 8 0 "[ . 1 . 2]" 1
213 1 12 CYS HA 1 80 ALA H . . 5.500 4.763 4.406 5.116 . 0 0 "[ . 1 . 2]" 1
214 1 12 CYS HA 1 80 ALA MB . . 2.960 2.089 1.936 2.339 . 0 0 "[ . 1 . 2]" 1
215 1 12 CYS HB2 1 13 LYS H . . 3.520 2.911 2.746 3.114 . 0 0 "[ . 1 . 2]" 1
216 1 12 CYS HB2 1 13 LYS HA . . 4.710 4.660 4.601 4.736 0.026 13 0 "[ . 1 . 2]" 1
217 1 12 CYS HB2 1 14 THR H . . 5.050 4.961 4.829 5.117 0.067 4 0 "[ . 1 . 2]" 1
218 1 12 CYS HB2 1 20 SER QB . . 3.450 2.784 2.282 3.410 . 0 0 "[ . 1 . 2]" 1
219 1 12 CYS HB2 1 21 PRO HD2 . . 3.920 2.805 2.402 3.125 . 0 0 "[ . 1 . 2]" 1
220 1 12 CYS HB2 1 21 PRO HD3 . . 4.270 4.051 3.703 4.337 0.067 8 0 "[ . 1 . 2]" 1
221 1 12 CYS HB2 1 26 ILE MD . . 4.800 4.622 4.102 4.811 0.011 15 0 "[ . 1 . 2]" 1
222 1 12 CYS HB3 1 20 SER HA . . 4.200 2.664 2.287 3.224 . 0 0 "[ . 1 . 2]" 1
223 1 12 CYS HB3 1 20 SER QB . . 3.810 2.007 1.895 2.508 . 0 0 "[ . 1 . 2]" 1
224 1 12 CYS HB3 1 21 PRO HD2 . . 3.520 2.357 1.986 2.746 . 0 0 "[ . 1 . 2]" 1
225 1 12 CYS HB3 1 21 PRO HD3 . . 4.260 3.126 2.653 3.425 . 0 0 "[ . 1 . 2]" 1
226 1 12 CYS HB3 1 21 PRO HG2 . . 4.930 4.422 3.829 4.937 0.007 16 0 "[ . 1 . 2]" 1
227 1 13 LYS H 1 13 LYS QB . . 2.810 2.577 2.467 2.683 . 0 0 "[ . 1 . 2]" 1
228 1 13 LYS H 1 13 LYS QD . . 4.630 3.479 2.978 3.971 . 0 0 "[ . 1 . 2]" 1
229 1 13 LYS H 1 13 LYS QG . . 3.780 1.976 1.902 2.167 . 0 0 "[ . 1 . 2]" 1
230 1 13 LYS H 1 14 THR H . . 3.360 2.584 2.455 2.706 . 0 0 "[ . 1 . 2]" 1
231 1 13 LYS H 1 15 TYR H . . 5.070 4.096 3.935 4.291 . 0 0 "[ . 1 . 2]" 1
232 1 13 LYS H 1 16 CYS H . . 5.500 4.854 4.653 5.100 . 0 0 "[ . 1 . 2]" 1
233 1 13 LYS H 1 20 SER QB . . 4.390 3.430 2.821 3.933 . 0 0 "[ . 1 . 2]" 1
234 1 13 LYS HA 1 13 LYS QB . . 2.670 2.280 2.171 2.355 . 0 0 "[ . 1 . 2]" 1
235 1 13 LYS HA 1 13 LYS QG . . 3.500 3.020 2.526 3.387 . 0 0 "[ . 1 . 2]" 1
236 1 13 LYS HA 1 20 SER QB . . 3.280 2.839 2.281 3.288 0.008 1 0 "[ . 1 . 2]" 1
237 1 13 LYS QB 1 14 THR H . . 3.210 3.238 3.009 3.445 0.235 9 0 "[ . 1 . 2]" 1
238 1 13 LYS QB 1 15 TYR H . . 5.300 5.037 4.839 5.325 0.025 3 0 "[ . 1 . 2]" 1
239 1 13 LYS QB 1 17 GLY H . . 5.500 4.957 4.629 5.504 0.004 13 0 "[ . 1 . 2]" 1
240 1 13 LYS QB 1 20 SER QB . . 4.470 3.996 3.126 4.479 0.009 11 0 "[ . 1 . 2]" 1
241 1 13 LYS QG 1 14 THR H . . 4.960 3.606 2.036 4.269 . 0 0 "[ . 1 . 2]" 1
242 1 13 LYS QG 1 20 SER QB . . 4.630 3.489 2.678 4.309 . 0 0 "[ . 1 . 2]" 1
243 1 14 THR H 1 14 THR HB . . 2.940 2.502 2.405 2.600 . 0 0 "[ . 1 . 2]" 1
244 1 14 THR H 1 14 THR MG . . 4.090 3.790 3.749 3.830 . 0 0 "[ . 1 . 2]" 1
245 1 14 THR H 1 15 TYR H . . 3.870 2.135 1.893 2.517 . 0 0 "[ . 1 . 2]" 1
246 1 14 THR H 1 15 TYR HB2 . . 5.150 4.200 3.930 4.547 . 0 0 "[ . 1 . 2]" 1
247 1 14 THR H 1 15 TYR QD . . 5.410 3.652 3.386 4.007 . 0 0 "[ . 1 . 2]" 1
248 1 14 THR H 1 15 TYR QE . . 5.500 5.510 5.356 5.618 0.118 4 0 "[ . 1 . 2]" 1
249 1 14 THR H 1 16 CYS H . . 5.350 4.012 3.458 4.683 . 0 0 "[ . 1 . 2]" 1
250 1 14 THR HA 1 14 THR HB . . 2.970 3.022 3.019 3.024 0.054 19 0 "[ . 1 . 2]" 1
251 1 14 THR HA 1 14 THR MG . . 3.050 2.398 2.361 2.445 . 0 0 "[ . 1 . 2]" 1
252 1 14 THR HB 1 15 TYR H . . 3.270 2.801 2.542 3.025 . 0 0 "[ . 1 . 2]" 1
253 1 14 THR HB 1 15 TYR HA . . 4.620 4.480 4.385 4.587 . 0 0 "[ . 1 . 2]" 1
254 1 14 THR HB 1 15 TYR QD . . 3.770 2.654 2.247 3.803 0.033 1 0 "[ . 1 . 2]" 1
255 1 14 THR HB 1 15 TYR QE . . 4.200 3.712 3.331 4.215 0.015 1 0 "[ . 1 . 2]" 1
256 1 14 THR MG 1 15 TYR H . . 4.300 3.517 3.267 3.690 . 0 0 "[ . 1 . 2]" 1
257 1 14 THR MG 1 15 TYR HA . . 4.200 3.543 3.427 3.697 . 0 0 "[ . 1 . 2]" 1
258 1 14 THR MG 1 15 TYR HB3 . . 5.380 5.292 5.122 5.400 0.020 8 0 "[ . 1 . 2]" 1
259 1 14 THR MG 1 15 TYR QD . . 4.120 3.049 2.643 3.912 . 0 0 "[ . 1 . 2]" 1
260 1 14 THR MG 1 15 TYR QE . . 3.930 3.343 2.726 3.974 0.044 1 0 "[ . 1 . 2]" 1
261 1 14 THR MG 1 16 CYS H . . 5.500 5.458 5.123 5.536 0.036 7 0 "[ . 1 . 2]" 1
262 1 14 THR MG 1 17 GLY H . . 5.500 5.412 5.118 5.541 0.041 12 0 "[ . 1 . 2]" 1
263 1 15 TYR H 1 15 TYR HB2 . . 3.350 2.328 2.271 2.427 . 0 0 "[ . 1 . 2]" 1
264 1 15 TYR H 1 15 TYR HB3 . . 3.660 3.582 3.548 3.646 . 0 0 "[ . 1 . 2]" 1
265 1 15 TYR H 1 15 TYR QD . . 4.110 2.405 2.041 3.064 . 0 0 "[ . 1 . 2]" 1
266 1 15 TYR H 1 15 TYR QE . . 5.200 4.644 4.397 4.900 . 0 0 "[ . 1 . 2]" 1
267 1 15 TYR H 1 16 CYS H . . 3.260 2.592 2.353 2.957 . 0 0 "[ . 1 . 2]" 1
268 1 15 TYR H 1 17 GLY H . . 5.050 3.591 3.179 4.085 . 0 0 "[ . 1 . 2]" 1
269 1 15 TYR H 1 80 ALA HA . . 4.940 4.904 4.619 5.024 0.084 13 0 "[ . 1 . 2]" 1
270 1 15 TYR H 1 80 ALA MB . . 4.480 3.795 3.644 4.006 . 0 0 "[ . 1 . 2]" 1
271 1 15 TYR HA 1 15 TYR QD . . 3.070 2.927 2.518 3.093 0.023 19 0 "[ . 1 . 2]" 1
272 1 15 TYR HA 1 80 ALA HA . . 4.740 4.733 4.562 4.797 0.057 9 0 "[ . 1 . 2]" 1
273 1 15 TYR HA 1 80 ALA MB . . 5.130 4.796 4.613 5.060 . 0 0 "[ . 1 . 2]" 1
274 1 15 TYR HA 1 83 ALA MB . . 4.660 4.464 3.999 4.684 0.024 9 0 "[ . 1 . 2]" 1
275 1 15 TYR HB2 1 80 ALA HA . . 3.590 2.588 2.252 2.760 . 0 0 "[ . 1 . 2]" 1
276 1 15 TYR HB2 1 80 ALA MB . . 3.730 2.229 1.974 2.479 . 0 0 "[ . 1 . 2]" 1
277 1 15 TYR HB2 1 83 ALA MB . . 4.410 4.389 4.000 4.566 0.156 15 0 "[ . 1 . 2]" 1
278 1 15 TYR HB3 1 16 CYS H . . 3.460 3.046 2.661 3.488 0.028 8 0 "[ . 1 . 2]" 1
279 1 15 TYR HB3 1 80 ALA HA . . 3.640 2.241 2.138 2.376 . 0 0 "[ . 1 . 2]" 1
280 1 15 TYR HB3 1 80 ALA MB . . 3.640 3.135 2.906 3.514 . 0 0 "[ . 1 . 2]" 1
281 1 15 TYR HB3 1 83 ALA MB . . 4.010 3.182 2.827 3.328 . 0 0 "[ . 1 . 2]" 1
282 1 15 TYR QD 1 16 CYS H . . 4.640 4.167 3.979 4.301 . 0 0 "[ . 1 . 2]" 1
283 1 15 TYR QD 1 80 ALA HA . . 3.740 2.813 2.422 3.273 . 0 0 "[ . 1 . 2]" 1
284 1 15 TYR QD 1 80 ALA MB . . 3.570 3.201 2.149 3.492 . 0 0 "[ . 1 . 2]" 1
285 1 15 TYR QD 1 83 ALA H . . 4.480 4.032 3.383 4.530 0.050 20 0 "[ . 1 . 2]" 1
286 1 15 TYR QD 1 83 ALA MB . . 3.540 1.920 1.860 2.311 . 0 0 "[ . 1 . 2]" 1
287 1 15 TYR QD 1 84 ALA HA . . 4.770 4.363 4.085 4.785 0.015 1 0 "[ . 1 . 2]" 1
288 1 15 TYR QD 1 84 ALA MB . . 4.230 3.952 3.655 4.234 0.004 1 0 "[ . 1 . 2]" 1
289 1 15 TYR QE 1 80 ALA HA . . 4.620 4.566 4.152 4.654 0.034 20 0 "[ . 1 . 2]" 1
290 1 15 TYR QE 1 80 ALA MB . . 4.530 4.353 3.624 4.551 0.021 15 0 "[ . 1 . 2]" 1
291 1 15 TYR QE 1 83 ALA H . . 5.500 4.655 4.129 4.971 . 0 0 "[ . 1 . 2]" 1
292 1 15 TYR QE 1 83 ALA MB . . 3.570 2.624 2.067 3.103 . 0 0 "[ . 1 . 2]" 1
293 1 15 TYR QE 1 84 ALA H . . 5.500 3.140 2.714 4.163 . 0 0 "[ . 1 . 2]" 1
294 1 15 TYR QE 1 84 ALA HA . . 3.660 2.258 1.988 3.194 . 0 0 "[ . 1 . 2]" 1
295 1 15 TYR QE 1 84 ALA MB . . 3.540 2.799 2.103 3.234 . 0 0 "[ . 1 . 2]" 1
296 1 16 CYS H 1 16 CYS HB2 . . 3.290 2.479 2.075 2.666 . 0 0 "[ . 1 . 2]" 1
297 1 16 CYS H 1 17 GLY H . . 3.220 2.659 2.388 2.912 . 0 0 "[ . 1 . 2]" 1
298 1 16 CYS H 1 80 ALA MB . . 5.090 3.252 2.833 3.655 . 0 0 "[ . 1 . 2]" 1
299 1 16 CYS HA 1 16 CYS HB3 . . 2.970 2.514 2.379 2.908 . 0 0 "[ . 1 . 2]" 1
300 1 16 CYS HB2 1 17 GLY H . . 4.020 2.778 2.304 3.324 . 0 0 "[ . 1 . 2]" 1
301 1 16 CYS HB2 1 19 THR H . . 5.220 3.776 2.976 4.575 . 0 0 "[ . 1 . 2]" 1
302 1 16 CYS HB2 1 20 SER H . . 4.300 3.732 2.517 4.325 0.025 16 0 "[ . 1 . 2]" 1
303 1 16 CYS HB2 1 20 SER HA . . 3.400 3.063 2.731 3.342 . 0 0 "[ . 1 . 2]" 1
304 1 16 CYS HB2 1 20 SER QB . . 3.420 3.109 2.311 3.451 0.031 3 0 "[ . 1 . 2]" 1
305 1 16 CYS HB2 1 76 LEU MD2 . . 4.840 3.910 3.545 4.404 . 0 0 "[ . 1 . 2]" 1
306 1 16 CYS HB3 1 17 GLY H . . 4.280 3.673 2.826 4.085 . 0 0 "[ . 1 . 2]" 1
307 1 16 CYS HB3 1 19 THR H . . 4.830 3.552 2.613 4.333 . 0 0 "[ . 1 . 2]" 1
308 1 16 CYS HB3 1 20 SER H . . 4.200 3.858 2.973 4.226 0.026 12 0 "[ . 1 . 2]" 1
309 1 16 CYS HB3 1 20 SER HA . . 3.450 3.339 3.016 3.484 0.034 20 0 "[ . 1 . 2]" 1
310 1 16 CYS HB3 1 76 LEU MD2 . . 4.270 2.940 2.431 4.243 . 0 0 "[ . 1 . 2]" 1
311 1 17 GLY H 1 20 SER H . . 5.500 4.826 3.756 5.503 0.003 17 0 "[ . 1 . 2]" 1
312 1 17 GLY HA3 1 19 THR H . . 4.900 4.170 3.163 5.239 0.339 8 0 "[ . 1 . 2]" 1
313 1 18 LYS H 1 19 THR H . . 5.130 2.956 2.546 3.385 . 0 0 "[ . 1 . 2]" 1
314 1 18 LYS H 1 20 SER H . . 5.500 4.584 3.729 5.183 . 0 0 "[ . 1 . 2]" 1
315 1 18 LYS HA 1 18 LYS QG . . 3.400 2.759 2.249 3.400 0.000 2 0 "[ . 1 . 2]" 1
316 1 18 LYS HA 1 19 THR MG . . 4.990 4.836 4.355 5.012 0.022 11 0 "[ . 1 . 2]" 1
317 1 18 LYS QB 1 19 THR H . . 4.070 3.922 3.713 4.048 . 0 0 "[ . 1 . 2]" 1
318 1 18 LYS QD 1 18 LYS QG . . 2.400 2.057 2.029 2.092 . 0 0 "[ . 1 . 2]" 1
319 1 18 LYS QD 1 19 THR H . . 5.500 5.064 3.764 5.505 0.005 12 0 "[ . 1 . 2]" 1
320 1 18 LYS QD 1 19 THR MG . . 4.840 4.379 3.670 4.880 0.040 16 0 "[ . 1 . 2]" 1
321 1 18 LYS QE 1 18 LYS QG . . 3.260 2.086 1.967 2.218 . 0 0 "[ . 1 . 2]" 1
322 1 18 LYS QG 1 19 THR H . . 4.810 4.082 2.643 4.469 . 0 0 "[ . 1 . 2]" 1
323 1 18 LYS QG 1 19 THR MG . . 4.670 4.195 2.801 4.830 0.160 19 0 "[ . 1 . 2]" 1
324 1 19 THR H 1 19 THR MG . . 3.960 3.381 2.014 3.867 . 0 0 "[ . 1 . 2]" 1
325 1 19 THR H 1 20 SER H . . 3.240 1.977 1.746 2.671 . 0 0 "[ . 1 . 2]" 1
326 1 19 THR H 1 20 SER QB . . 5.500 3.936 3.447 4.583 . 0 0 "[ . 1 . 2]" 1
327 1 19 THR H 1 76 LEU MD2 . . 5.500 4.853 4.613 5.135 . 0 0 "[ . 1 . 2]" 1
328 1 19 THR HA 1 19 THR MG . . 3.140 2.341 2.008 3.190 0.050 17 0 "[ . 1 . 2]" 1
329 1 19 THR HA 1 20 SER H . . 3.320 3.081 2.664 3.468 0.148 8 0 "[ . 1 . 2]" 1
330 1 19 THR HA 1 76 LEU MD2 . . 5.040 4.235 4.015 4.556 . 0 0 "[ . 1 . 2]" 1
331 1 19 THR HB 1 76 LEU MD1 . . 4.570 3.863 3.244 4.603 0.033 12 0 "[ . 1 . 2]" 1
332 1 19 THR HB 1 76 LEU MD2 . . 4.050 2.842 2.077 4.088 0.038 19 0 "[ . 1 . 2]" 1
333 1 19 THR MG 1 20 SER H . . 4.840 4.153 2.927 4.468 . 0 0 "[ . 1 . 2]" 1
334 1 19 THR MG 1 76 LEU MD1 . . 4.240 3.784 3.371 4.244 0.004 15 0 "[ . 1 . 2]" 1
335 1 19 THR MG 1 76 LEU MD2 . . 3.240 3.042 2.066 3.323 0.083 20 0 "[ . 1 . 2]" 1
336 1 20 SER H 1 20 SER QB . . 2.930 2.629 2.093 2.972 0.042 12 0 "[ . 1 . 2]" 1
337 1 20 SER H 1 76 LEU MD2 . . 5.500 4.574 4.093 4.783 . 0 0 "[ . 1 . 2]" 1
338 1 20 SER HA 1 21 PRO HD2 . . 3.240 2.474 2.413 2.508 . 0 0 "[ . 1 . 2]" 1
339 1 20 SER HA 1 21 PRO HD3 . . 3.250 2.330 2.302 2.346 . 0 0 "[ . 1 . 2]" 1
340 1 20 SER HA 1 76 LEU MD1 . . 3.910 3.188 2.765 3.615 . 0 0 "[ . 1 . 2]" 1
341 1 20 SER QB 1 21 PRO HD3 . . 3.500 3.267 3.205 3.513 0.013 19 0 "[ . 1 . 2]" 1
342 1 20 SER QB 1 76 LEU MD1 . . 4.990 4.435 4.110 4.664 . 0 0 "[ . 1 . 2]" 1
343 1 21 PRO HA 1 73 THR HA . . 4.470 4.425 3.928 4.511 0.041 8 0 "[ . 1 . 2]" 1
344 1 21 PRO HA 1 73 THR MG . . 4.710 4.033 3.675 4.424 . 0 0 "[ . 1 . 2]" 1
345 1 21 PRO HA 1 76 LEU MD1 . . 4.830 2.499 1.901 2.839 . 0 0 "[ . 1 . 2]" 1
346 1 21 PRO HB2 1 22 SER H . . 3.810 2.388 2.055 3.663 . 0 0 "[ . 1 . 2]" 1
347 1 21 PRO HB2 1 25 GLU HB2 . . 4.580 3.281 2.502 3.859 . 0 0 "[ . 1 . 2]" 1
348 1 21 PRO HB2 1 26 ILE MD . . 3.960 3.337 2.970 3.668 . 0 0 "[ . 1 . 2]" 1
349 1 21 PRO HB2 1 26 ILE HG12 . . 4.760 2.991 2.247 3.487 . 0 0 "[ . 1 . 2]" 1
350 1 21 PRO HB2 1 73 THR MG . . 3.660 2.508 2.317 2.669 . 0 0 "[ . 1 . 2]" 1
351 1 21 PRO HB2 1 76 LEU MD1 . . 4.910 4.150 3.577 4.450 . 0 0 "[ . 1 . 2]" 1
352 1 21 PRO HB2 1 77 VAL MG2 . . 4.700 3.565 3.207 3.797 . 0 0 "[ . 1 . 2]" 1
353 1 21 PRO HB3 1 26 ILE MD . . 4.770 4.524 4.118 4.774 0.004 18 0 "[ . 1 . 2]" 1
354 1 21 PRO HB3 1 73 THR HA . . 4.430 2.891 2.668 3.052 . 0 0 "[ . 1 . 2]" 1
355 1 21 PRO HB3 1 73 THR MG . . 3.530 2.315 1.995 2.794 . 0 0 "[ . 1 . 2]" 1
356 1 21 PRO HB3 1 76 LEU MD1 . . 4.360 2.876 2.420 3.134 . 0 0 "[ . 1 . 2]" 1
357 1 21 PRO HB3 1 77 VAL MG2 . . 5.090 3.075 2.766 3.265 . 0 0 "[ . 1 . 2]" 1
358 1 21 PRO HD2 1 26 ILE MD . . 5.050 4.022 3.551 4.395 . 0 0 "[ . 1 . 2]" 1
359 1 21 PRO HD2 1 76 LEU HB3 . . 4.450 3.948 3.661 4.163 . 0 0 "[ . 1 . 2]" 1
360 1 21 PRO HD2 1 76 LEU MD1 . . 4.140 4.011 3.670 4.168 0.028 16 0 "[ . 1 . 2]" 1
361 1 21 PRO HD2 1 76 LEU MD2 . . 5.070 4.760 4.487 5.054 . 0 0 "[ . 1 . 2]" 1
362 1 21 PRO HD2 1 77 VAL MG2 . . 5.500 4.202 3.778 4.509 . 0 0 "[ . 1 . 2]" 1
363 1 21 PRO HD3 1 22 SER H . . 5.500 5.449 5.379 5.551 0.051 7 0 "[ . 1 . 2]" 1
364 1 21 PRO HD3 1 76 LEU HB2 . . 4.810 3.468 3.024 3.723 . 0 0 "[ . 1 . 2]" 1
365 1 21 PRO HD3 1 76 LEU HB3 . . 4.030 2.195 1.995 2.401 . 0 0 "[ . 1 . 2]" 1
366 1 21 PRO HD3 1 76 LEU MD1 . . 3.730 2.769 2.424 3.068 . 0 0 "[ . 1 . 2]" 1
367 1 21 PRO HD3 1 76 LEU MD2 . . 4.560 3.507 3.224 3.803 . 0 0 "[ . 1 . 2]" 1
368 1 21 PRO HG2 1 26 ILE MD . . 4.050 2.331 1.954 2.716 . 0 0 "[ . 1 . 2]" 1
369 1 21 PRO HG2 1 73 THR MG . . 3.890 3.882 3.712 3.948 0.058 19 0 "[ . 1 . 2]" 1
370 1 21 PRO HG2 1 77 VAL MG2 . . 3.810 3.299 3.007 3.632 . 0 0 "[ . 1 . 2]" 1
371 1 21 PRO HG3 1 73 THR MG . . 3.730 3.145 2.880 3.259 . 0 0 "[ . 1 . 2]" 1
372 1 21 PRO HG3 1 76 LEU MD1 . . 4.180 4.061 3.815 4.201 0.021 12 0 "[ . 1 . 2]" 1
373 1 22 SER H 1 22 SER HB2 . . 3.200 2.507 2.181 2.813 . 0 0 "[ . 1 . 2]" 1
374 1 22 SER H 1 22 SER HB3 . . 3.770 2.978 2.336 3.332 . 0 0 "[ . 1 . 2]" 1
375 1 22 SER H 1 25 GLU H . . 4.110 3.752 3.291 4.100 . 0 0 "[ . 1 . 2]" 1
376 1 22 SER H 1 25 GLU HB2 . . 3.200 2.211 1.958 2.615 . 0 0 "[ . 1 . 2]" 1
377 1 22 SER H 1 25 GLU HB3 . . 3.730 3.412 2.978 3.734 0.004 7 0 "[ . 1 . 2]" 1
378 1 22 SER H 1 25 GLU QG . . 3.920 3.214 2.143 3.881 . 0 0 "[ . 1 . 2]" 1
379 1 22 SER H 1 26 ILE H . . 5.280 3.923 3.508 5.168 . 0 0 "[ . 1 . 2]" 1
380 1 22 SER H 1 26 ILE MD . . 5.500 4.417 3.872 5.095 . 0 0 "[ . 1 . 2]" 1
381 1 22 SER H 1 73 THR MG . . 5.500 3.729 3.447 4.694 . 0 0 "[ . 1 . 2]" 1
382 1 22 SER HA 1 22 SER HB2 . . 2.920 2.699 2.345 2.885 . 0 0 "[ . 1 . 2]" 1
383 1 22 SER HA 1 24 LYS H . . 5.500 4.147 3.913 4.418 . 0 0 "[ . 1 . 2]" 1
384 1 22 SER HA 1 25 GLU H . . 5.330 4.342 4.207 4.585 . 0 0 "[ . 1 . 2]" 1
385 1 22 SER HB2 1 23 LYS H . . 4.910 4.177 3.715 4.369 . 0 0 "[ . 1 . 2]" 1
386 1 22 SER HB2 1 25 GLU QG . . 5.040 2.894 2.043 3.949 . 0 0 "[ . 1 . 2]" 1
387 1 22 SER HB3 1 23 LYS H . . 4.800 3.485 3.025 4.009 . 0 0 "[ . 1 . 2]" 1
388 1 22 SER HB3 1 24 LYS H . . 4.810 2.913 2.261 3.805 . 0 0 "[ . 1 . 2]" 1
389 1 22 SER HB3 1 25 GLU H . . 4.860 2.301 2.043 2.855 . 0 0 "[ . 1 . 2]" 1
390 1 23 LYS H 1 24 LYS H . . 5.440 2.799 2.710 2.897 . 0 0 "[ . 1 . 2]" 1
391 1 23 LYS H 1 25 GLU H . . 5.500 4.113 3.978 4.305 . 0 0 "[ . 1 . 2]" 1
392 1 23 LYS HA 1 23 LYS QD . . 4.270 3.811 2.887 4.230 . 0 0 "[ . 1 . 2]" 1
393 1 23 LYS HA 1 23 LYS QG . . 3.760 2.347 2.009 3.328 . 0 0 "[ . 1 . 2]" 1
394 1 23 LYS HA 1 25 GLU H . . 5.500 4.301 3.996 4.735 . 0 0 "[ . 1 . 2]" 1
395 1 23 LYS HA 1 26 ILE H . . 3.960 3.692 3.421 3.857 . 0 0 "[ . 1 . 2]" 1
396 1 23 LYS HA 1 26 ILE HB . . 3.320 3.187 3.047 3.327 0.007 18 0 "[ . 1 . 2]" 1
397 1 23 LYS HA 1 26 ILE MD . . 3.490 2.504 1.973 3.007 . 0 0 "[ . 1 . 2]" 1
398 1 23 LYS HA 1 26 ILE MG . . 4.450 4.432 4.336 4.461 0.011 20 0 "[ . 1 . 2]" 1
399 1 24 LYS H 1 24 LYS HB2 . . 3.660 2.651 2.442 2.785 . 0 0 "[ . 1 . 2]" 1
400 1 24 LYS H 1 24 LYS HB3 . . 3.910 2.451 2.354 2.609 . 0 0 "[ . 1 . 2]" 1
401 1 24 LYS H 1 25 GLU H . . 3.820 2.487 2.318 2.711 . 0 0 "[ . 1 . 2]" 1
402 1 24 LYS HA 1 24 LYS HB2 . . 2.980 2.437 2.391 2.506 . 0 0 "[ . 1 . 2]" 1
403 1 24 LYS HA 1 24 LYS QG . . 3.350 2.907 2.360 3.094 . 0 0 "[ . 1 . 2]" 1
404 1 24 LYS HB3 1 25 GLU H . . 3.650 2.825 2.432 3.002 . 0 0 "[ . 1 . 2]" 1
405 1 24 LYS QD 1 27 GLY H . . 4.900 4.789 4.504 4.905 0.005 18 0 "[ . 1 . 2]" 1
406 1 24 LYS QD 1 28 ALA H . . 5.240 4.741 4.136 5.238 . 0 0 "[ . 1 . 2]" 1
407 1 24 LYS QG 1 28 ALA H . . 5.200 4.944 4.570 5.067 . 0 0 "[ . 1 . 2]" 1
408 1 25 GLU H 1 25 GLU HB2 . . 3.300 2.280 2.115 2.635 . 0 0 "[ . 1 . 2]" 1
409 1 25 GLU H 1 25 GLU HB3 . . 3.660 3.513 3.376 3.594 . 0 0 "[ . 1 . 2]" 1
410 1 25 GLU H 1 25 GLU QG . . 3.280 2.785 1.998 3.353 0.073 10 0 "[ . 1 . 2]" 1
411 1 25 GLU H 1 26 ILE H . . 3.460 2.604 2.448 2.862 . 0 0 "[ . 1 . 2]" 1
412 1 25 GLU H 1 26 ILE HA . . 5.500 5.208 5.085 5.424 . 0 0 "[ . 1 . 2]" 1
413 1 25 GLU H 1 27 GLY H . . 4.810 4.091 3.892 4.424 . 0 0 "[ . 1 . 2]" 1
414 1 25 GLU H 1 73 THR MG . . 5.500 4.633 4.330 5.448 . 0 0 "[ . 1 . 2]" 1
415 1 25 GLU HA 1 25 GLU QG . . 3.040 2.362 2.066 2.892 . 0 0 "[ . 1 . 2]" 1
416 1 25 GLU HA 1 28 ALA MB . . 3.190 2.599 2.060 2.972 . 0 0 "[ . 1 . 2]" 1
417 1 25 GLU HA 1 73 THR MG . . 4.940 4.001 3.461 4.773 . 0 0 "[ . 1 . 2]" 1
418 1 25 GLU HB2 1 26 ILE H . . 3.780 2.676 2.308 3.096 . 0 0 "[ . 1 . 2]" 1
419 1 25 GLU HB2 1 27 GLY H . . 5.500 5.079 4.746 5.500 . 0 0 "[ . 1 . 2]" 1
420 1 25 GLU HB2 1 73 THR MG . . 5.150 3.100 2.412 3.857 . 0 0 "[ . 1 . 2]" 1
421 1 25 GLU HB3 1 26 ILE H . . 3.970 3.300 2.959 3.684 . 0 0 "[ . 1 . 2]" 1
422 1 25 GLU HB3 1 73 THR MG . . 4.430 2.221 1.932 3.082 . 0 0 "[ . 1 . 2]" 1
423 1 25 GLU QG 1 26 ILE H . . 4.450 4.217 3.758 4.440 . 0 0 "[ . 1 . 2]" 1
424 1 25 GLU QG 1 28 ALA MB . . 4.700 4.156 3.638 4.685 . 0 0 "[ . 1 . 2]" 1
425 1 25 GLU QG 1 73 THR MG . . 4.690 3.984 3.530 4.415 . 0 0 "[ . 1 . 2]" 1
426 1 26 ILE H 1 26 ILE HB . . 2.950 2.585 2.502 2.609 . 0 0 "[ . 1 . 2]" 1
427 1 26 ILE H 1 26 ILE MD . . 4.080 3.430 3.133 3.588 . 0 0 "[ . 1 . 2]" 1
428 1 26 ILE H 1 26 ILE HG12 . . 3.850 3.362 3.208 3.585 . 0 0 "[ . 1 . 2]" 1
429 1 26 ILE H 1 26 ILE MG . . 3.980 3.766 3.763 3.773 . 0 0 "[ . 1 . 2]" 1
430 1 26 ILE H 1 27 GLY H . . 3.600 2.781 2.521 2.951 . 0 0 "[ . 1 . 2]" 1
431 1 26 ILE H 1 28 ALA H . . 4.530 4.022 3.729 4.210 . 0 0 "[ . 1 . 2]" 1
432 1 26 ILE H 1 28 ALA MB . . 5.500 4.885 4.385 5.177 . 0 0 "[ . 1 . 2]" 1
433 1 26 ILE HA 1 26 ILE MD . . 3.860 3.856 3.811 3.874 0.014 10 0 "[ . 1 . 2]" 1
434 1 26 ILE HA 1 26 ILE HG12 . . 3.750 2.605 2.505 2.808 . 0 0 "[ . 1 . 2]" 1
435 1 26 ILE HA 1 26 ILE HG13 . . 3.610 2.926 2.683 3.056 . 0 0 "[ . 1 . 2]" 1
436 1 26 ILE HA 1 26 ILE MG . . 2.930 2.368 2.301 2.405 . 0 0 "[ . 1 . 2]" 1
437 1 26 ILE HA 1 28 ALA H . . 5.420 4.000 3.820 4.175 . 0 0 "[ . 1 . 2]" 1
438 1 26 ILE HA 1 29 MET H . . 4.080 3.628 3.465 3.890 . 0 0 "[ . 1 . 2]" 1
439 1 26 ILE HA 1 29 MET HB2 . . 4.490 3.760 3.500 4.381 . 0 0 "[ . 1 . 2]" 1
440 1 26 ILE HA 1 29 MET HB3 . . 4.000 2.939 2.612 3.605 . 0 0 "[ . 1 . 2]" 1
441 1 26 ILE HA 1 29 MET ME . . 3.840 3.341 2.886 3.851 0.011 7 0 "[ . 1 . 2]" 1
442 1 26 ILE HA 1 30 LEU H . . 4.720 3.994 3.750 4.449 . 0 0 "[ . 1 . 2]" 1
443 1 26 ILE HA 1 73 THR MG . . 3.410 2.245 1.915 2.545 . 0 0 "[ . 1 . 2]" 1
444 1 26 ILE HA 1 77 VAL MG2 . . 4.610 3.595 3.135 3.961 . 0 0 "[ . 1 . 2]" 1
445 1 26 ILE HB 1 26 ILE MD . . 3.080 2.343 2.136 2.442 . 0 0 "[ . 1 . 2]" 1
446 1 26 ILE HB 1 27 GLY H . . 3.250 2.667 2.298 2.975 . 0 0 "[ . 1 . 2]" 1
447 1 26 ILE HB 1 28 ALA H . . 5.100 4.840 4.510 5.096 . 0 0 "[ . 1 . 2]" 1
448 1 26 ILE MD 1 26 ILE MG . . 3.310 2.030 1.910 2.397 . 0 0 "[ . 1 . 2]" 1
449 1 26 ILE MD 1 27 GLY H . . 4.720 4.539 4.239 4.724 0.004 15 0 "[ . 1 . 2]" 1
450 1 26 ILE HG12 1 26 ILE MG . . 3.750 2.340 2.225 2.406 . 0 0 "[ . 1 . 2]" 1
451 1 26 ILE HG12 1 27 GLY H . . 5.150 5.032 4.885 5.245 0.095 10 0 "[ . 1 . 2]" 1
452 1 26 ILE HG12 1 73 THR MG . . 3.550 2.980 2.652 3.332 . 0 0 "[ . 1 . 2]" 1
453 1 26 ILE HG13 1 73 THR MG . . 5.070 3.205 2.884 3.604 . 0 0 "[ . 1 . 2]" 1
454 1 26 ILE MG 1 27 GLY H . . 3.660 3.483 3.197 3.660 0.000 20 0 "[ . 1 . 2]" 1
455 1 26 ILE MG 1 27 GLY QA . . 4.980 3.343 3.192 3.539 . 0 0 "[ . 1 . 2]" 1
456 1 26 ILE MG 1 28 ALA H . . 4.970 4.754 4.502 4.951 . 0 0 "[ . 1 . 2]" 1
457 1 26 ILE MG 1 29 MET H . . 5.500 4.380 4.157 4.591 . 0 0 "[ . 1 . 2]" 1
458 1 26 ILE MG 1 29 MET ME . . 3.740 3.132 2.690 3.614 . 0 0 "[ . 1 . 2]" 1
459 1 26 ILE MG 1 30 LEU HB2 . . 4.260 3.654 3.316 4.236 . 0 0 "[ . 1 . 2]" 1
460 1 27 GLY H 1 28 ALA H . . 3.460 2.536 2.383 2.697 . 0 0 "[ . 1 . 2]" 1
461 1 27 GLY H 1 28 ALA MB . . 4.870 4.184 3.980 4.350 . 0 0 "[ . 1 . 2]" 1
462 1 27 GLY H 1 73 THR MG . . 5.500 4.792 4.429 5.234 . 0 0 "[ . 1 . 2]" 1
463 1 27 GLY QA 1 28 ALA H . . 3.230 2.862 2.816 2.915 . 0 0 "[ . 1 . 2]" 1
464 1 27 GLY QA 1 29 MET H . . 4.610 3.509 3.473 3.553 . 0 0 "[ . 1 . 2]" 1
465 1 27 GLY QA 1 30 LEU H . . 4.160 3.703 3.416 3.841 . 0 0 "[ . 1 . 2]" 1
466 1 27 GLY QA 1 30 LEU HB2 . . 5.050 3.146 2.768 3.306 . 0 0 "[ . 1 . 2]" 1
467 1 27 GLY QA 1 30 LEU QD . . 4.200 3.544 2.963 3.979 . 0 0 "[ . 1 . 2]" 1
468 1 27 GLY QA 1 31 SER H . . 4.630 4.065 3.662 4.297 . 0 0 "[ . 1 . 2]" 1
469 1 28 ALA H 1 28 ALA MB . . 3.060 2.225 2.136 2.338 . 0 0 "[ . 1 . 2]" 1
470 1 28 ALA H 1 29 MET H . . 3.370 2.364 2.298 2.423 . 0 0 "[ . 1 . 2]" 1
471 1 28 ALA H 1 29 MET HA . . 4.910 4.915 4.891 4.943 0.033 16 0 "[ . 1 . 2]" 1
472 1 28 ALA H 1 29 MET HB2 . . 5.180 4.494 4.424 4.548 . 0 0 "[ . 1 . 2]" 1
473 1 28 ALA H 1 29 MET HB3 . . 5.500 4.453 4.384 4.557 . 0 0 "[ . 1 . 2]" 1
474 1 28 ALA HA 1 29 MET HB2 . . 5.500 5.533 5.507 5.578 0.078 15 0 "[ . 1 . 2]" 1
475 1 28 ALA HA 1 30 LEU H . . 5.100 4.938 4.710 5.112 0.012 13 0 "[ . 1 . 2]" 1
476 1 28 ALA MB 1 29 MET H . . 3.630 3.298 3.227 3.341 . 0 0 "[ . 1 . 2]" 1
477 1 28 ALA MB 1 29 MET HB2 . . 4.430 4.177 4.109 4.288 . 0 0 "[ . 1 . 2]" 1
478 1 29 MET H 1 29 MET HB2 . . 3.230 2.941 2.859 3.007 . 0 0 "[ . 1 . 2]" 1
479 1 29 MET H 1 29 MET HB3 . . 3.290 2.540 2.492 2.577 . 0 0 "[ . 1 . 2]" 1
480 1 29 MET H 1 29 MET ME . . 4.700 4.396 4.098 4.709 0.009 9 0 "[ . 1 . 2]" 1
481 1 29 MET H 1 30 LEU H . . 3.480 2.220 2.099 2.354 . 0 0 "[ . 1 . 2]" 1
482 1 29 MET H 1 30 LEU HB2 . . 4.210 3.920 3.847 4.053 . 0 0 "[ . 1 . 2]" 1
483 1 29 MET H 1 31 SER H . . 5.050 3.684 3.337 4.195 . 0 0 "[ . 1 . 2]" 1
484 1 29 MET H 1 32 LEU H . . 5.360 4.374 4.234 4.761 . 0 0 "[ . 1 . 2]" 1
485 1 29 MET H 1 73 THR MG . . 5.500 4.186 3.888 4.473 . 0 0 "[ . 1 . 2]" 1
486 1 29 MET HA 1 29 MET ME . . 4.520 4.477 4.373 4.565 0.045 16 0 "[ . 1 . 2]" 1
487 1 29 MET HA 1 29 MET HG2 . . 3.680 2.646 2.384 3.090 . 0 0 "[ . 1 . 2]" 1
488 1 29 MET HA 1 29 MET HG3 . . 3.670 3.210 2.636 3.547 . 0 0 "[ . 1 . 2]" 1
489 1 29 MET HA 1 32 LEU QD . . 4.390 3.736 3.126 4.176 . 0 0 "[ . 1 . 2]" 1
490 1 29 MET HA 1 33 LEU QD . . 5.500 4.140 3.556 4.425 . 0 0 "[ . 1 . 2]" 1
491 1 29 MET HA 1 70 GLU HA . . 4.310 3.985 3.303 4.316 0.006 8 0 "[ . 1 . 2]" 1
492 1 29 MET HA 1 70 GLU HB3 . . 4.150 3.495 2.698 4.830 0.680 16 4 "[ . - 1 * .+ * 2]" 1
493 1 29 MET HA 1 73 THR HB . . 5.070 4.574 4.315 4.843 . 0 0 "[ . 1 . 2]" 1
494 1 29 MET HA 1 73 THR MG . . 5.040 4.839 4.617 5.091 0.051 10 0 "[ . 1 . 2]" 1
495 1 29 MET HB2 1 29 MET ME . . 4.130 3.331 2.969 3.833 . 0 0 "[ . 1 . 2]" 1
496 1 29 MET HB2 1 30 LEU H . . 3.810 3.780 3.667 3.871 0.061 17 0 "[ . 1 . 2]" 1
497 1 29 MET HB2 1 73 THR HB . . 4.180 2.366 1.996 2.586 . 0 0 "[ . 1 . 2]" 1
498 1 29 MET HB2 1 73 THR MG . . 3.970 2.767 2.455 3.055 . 0 0 "[ . 1 . 2]" 1
499 1 29 MET HB3 1 29 MET ME . . 3.420 2.300 1.952 2.807 . 0 0 "[ . 1 . 2]" 1
500 1 29 MET HB3 1 30 LEU H . . 3.580 2.405 2.231 2.571 . 0 0 "[ . 1 . 2]" 1
501 1 29 MET HB3 1 31 SER H . . 5.500 5.011 4.631 5.492 . 0 0 "[ . 1 . 2]" 1
502 1 29 MET HB3 1 73 THR HB . . 4.630 3.429 2.940 3.787 . 0 0 "[ . 1 . 2]" 1
503 1 29 MET HB3 1 73 THR MG . . 4.310 2.801 2.551 3.105 . 0 0 "[ . 1 . 2]" 1
504 1 29 MET ME 1 29 MET HG2 . . 3.220 2.883 2.057 3.397 0.177 19 0 "[ . 1 . 2]" 1
505 1 29 MET ME 1 29 MET HG3 . . 3.800 2.785 2.302 3.358 . 0 0 "[ . 1 . 2]" 1
506 1 29 MET ME 1 30 LEU H . . 4.250 3.482 3.188 3.656 . 0 0 "[ . 1 . 2]" 1
507 1 29 MET ME 1 30 LEU HA . . 3.810 3.602 3.045 3.865 0.055 10 0 "[ . 1 . 2]" 1
508 1 29 MET ME 1 30 LEU QD . . 3.560 2.027 1.794 3.034 . 0 0 "[ . 1 . 2]" 1
509 1 29 MET ME 1 30 LEU HG . . 4.300 4.116 3.140 4.351 0.051 17 0 "[ . 1 . 2]" 1
510 1 29 MET ME 1 33 LEU QD . . 3.710 2.909 2.032 3.535 . 0 0 "[ . 1 . 2]" 1
511 1 29 MET ME 1 45 LEU QD . . 4.110 2.245 1.685 2.994 . 0 0 "[ . 1 . 2]" 1
512 1 29 MET ME 1 58 LEU QD . . 4.790 4.550 4.206 4.679 . 0 0 "[ . 1 . 2]" 1
513 1 29 MET ME 1 73 THR HB . . 4.890 3.522 2.907 4.412 . 0 0 "[ . 1 . 2]" 1
514 1 29 MET ME 1 73 THR MG . . 3.760 2.575 1.974 3.329 . 0 0 "[ . 1 . 2]" 1
515 1 29 MET ME 1 74 TRP HA . . 3.990 2.896 2.242 3.347 . 0 0 "[ . 1 . 2]" 1
516 1 29 MET ME 1 74 TRP QB . . 4.750 3.955 3.474 4.296 . 0 0 "[ . 1 . 2]" 1
517 1 29 MET ME 1 74 TRP HE3 . . 3.580 2.327 1.965 2.795 . 0 0 "[ . 1 . 2]" 1
518 1 29 MET ME 1 74 TRP HZ3 . . 4.310 3.185 2.538 3.582 . 0 0 "[ . 1 . 2]" 1
519 1 29 MET ME 1 77 VAL H . . 5.500 4.290 3.960 4.695 . 0 0 "[ . 1 . 2]" 1
520 1 29 MET ME 1 77 VAL HA . . 4.790 4.670 4.329 4.826 0.036 15 0 "[ . 1 . 2]" 1
521 1 29 MET ME 1 77 VAL MG1 . . 3.530 2.361 1.963 2.751 . 0 0 "[ . 1 . 2]" 1
522 1 29 MET ME 1 77 VAL MG2 . . 3.040 2.061 1.904 2.425 . 0 0 "[ . 1 . 2]" 1
523 1 29 MET HG2 1 33 LEU QD . . 4.180 2.650 1.964 3.199 . 0 0 "[ . 1 . 2]" 1
524 1 29 MET HG2 1 58 LEU QD . . 5.210 3.719 3.198 4.323 . 0 0 "[ . 1 . 2]" 1
525 1 29 MET HG2 1 73 THR HB . . 4.690 3.989 3.559 4.376 . 0 0 "[ . 1 . 2]" 1
526 1 29 MET HG2 1 73 THR MG . . 4.060 4.388 4.068 4.655 0.595 11 7 "[ * .* * 1+ *. * -]" 1
527 1 29 MET HG3 1 30 LEU HA . . 5.110 5.382 5.113 5.607 0.497 2 0 "[ . 1 . 2]" 1
528 1 29 MET HG3 1 32 LEU QD . . 5.500 5.059 3.931 5.700 0.200 16 0 "[ . 1 . 2]" 1
529 1 29 MET HG3 1 33 LEU QD . . 4.660 3.524 3.076 3.914 . 0 0 "[ . 1 . 2]" 1
530 1 29 MET HG3 1 33 LEU HG . . 4.970 4.391 3.698 4.800 . 0 0 "[ . 1 . 2]" 1
531 1 29 MET HG3 1 58 LEU QD . . 4.740 3.770 3.290 4.250 . 0 0 "[ . 1 . 2]" 1
532 1 29 MET HG3 1 70 GLU HB3 . . 4.600 3.921 2.517 5.458 0.858 11 3 "[ . 1+ .- *2]" 1
533 1 29 MET HG3 1 73 THR HB . . 4.410 2.644 2.023 3.282 . 0 0 "[ . 1 . 2]" 1
534 1 29 MET HG3 1 73 THR MG . . 4.650 3.510 3.092 4.017 . 0 0 "[ . 1 . 2]" 1
535 1 29 MET HG3 1 74 TRP H . . 5.170 3.423 2.657 4.039 . 0 0 "[ . 1 . 2]" 1
536 1 29 MET HG3 1 74 TRP QB . . 4.520 3.064 2.622 3.363 . 0 0 "[ . 1 . 2]" 1
537 1 30 LEU H 1 30 LEU HB2 . . 2.930 2.189 2.150 2.237 . 0 0 "[ . 1 . 2]" 1
538 1 30 LEU H 1 30 LEU HB3 . . 3.470 3.497 3.471 3.525 0.055 14 0 "[ . 1 . 2]" 1
539 1 30 LEU H 1 30 LEU QD . . 3.990 2.205 1.918 3.353 . 0 0 "[ . 1 . 2]" 1
540 1 30 LEU H 1 31 SER H . . 3.390 2.871 2.559 3.121 . 0 0 "[ . 1 . 2]" 1
541 1 30 LEU H 1 32 LEU H . . 5.440 4.100 3.881 4.566 . 0 0 "[ . 1 . 2]" 1
542 1 30 LEU H 1 73 THR MG . . 5.500 4.679 4.441 4.961 . 0 0 "[ . 1 . 2]" 1
543 1 30 LEU HA 1 30 LEU QD . . 3.130 2.121 1.886 2.355 . 0 0 "[ . 1 . 2]" 1
544 1 30 LEU HA 1 30 LEU HG . . 3.630 3.150 2.579 3.675 0.045 18 0 "[ . 1 . 2]" 1
545 1 30 LEU HA 1 33 LEU H . . 3.940 3.789 3.472 3.943 0.003 19 0 "[ . 1 . 2]" 1
546 1 30 LEU HA 1 33 LEU HB2 . . 4.070 3.568 2.707 3.998 . 0 0 "[ . 1 . 2]" 1
547 1 30 LEU HA 1 33 LEU QD . . 3.680 2.818 2.259 3.581 . 0 0 "[ . 1 . 2]" 1
548 1 30 LEU HA 1 33 LEU HG . . 4.440 3.295 3.107 3.637 . 0 0 "[ . 1 . 2]" 1
549 1 30 LEU HA 1 42 PRO HB3 . . 4.250 4.212 3.798 4.286 0.036 10 0 "[ . 1 . 2]" 1
550 1 30 LEU HB2 1 31 SER H . . 3.400 2.772 2.369 3.078 . 0 0 "[ . 1 . 2]" 1
551 1 30 LEU HB3 1 31 SER H . . 3.560 3.123 2.527 3.578 0.018 17 0 "[ . 1 . 2]" 1
552 1 30 LEU HB3 1 31 SER HA . . 5.010 3.990 3.780 4.189 . 0 0 "[ . 1 . 2]" 1
553 1 30 LEU QD 1 31 SER H . . 4.480 3.848 3.702 3.934 . 0 0 "[ . 1 . 2]" 1
554 1 30 LEU QD 1 42 PRO HB2 . . 4.200 2.253 1.834 2.850 . 0 0 "[ . 1 . 2]" 1
555 1 30 LEU QD 1 42 PRO HB3 . . 5.270 2.313 1.952 2.849 . 0 0 "[ . 1 . 2]" 1
556 1 31 SER H 1 31 SER HB2 . . 3.260 3.082 2.689 3.593 0.333 19 0 "[ . 1 . 2]" 1
557 1 31 SER H 1 32 LEU H . . 3.340 2.585 2.314 2.816 . 0 0 "[ . 1 . 2]" 1
558 1 31 SER H 1 33 LEU H . . 5.110 4.432 4.025 4.764 . 0 0 "[ . 1 . 2]" 1
559 1 31 SER H 1 34 GLN H . . 5.480 5.006 4.839 5.385 . 0 0 "[ . 1 . 2]" 1
560 1 31 SER HA 1 31 SER HB2 . . 2.400 2.380 2.260 2.589 0.189 20 0 "[ . 1 . 2]" 1
561 1 31 SER HA 1 34 GLN H . . 4.160 3.534 3.319 4.000 . 0 0 "[ . 1 . 2]" 1
562 1 31 SER HA 1 34 GLN QB . . 3.270 2.817 2.211 3.418 0.148 17 0 "[ . 1 . 2]" 1
563 1 31 SER HA 1 34 GLN HE21 . . 5.500 5.110 4.296 5.501 0.001 19 0 "[ . 1 . 2]" 1
564 1 31 SER HA 1 34 GLN HG3 . . 4.840 3.372 2.858 4.842 0.002 17 0 "[ . 1 . 2]" 1
565 1 31 SER HB3 1 32 LEU H . . 4.510 3.251 2.481 4.166 . 0 0 "[ . 1 . 2]" 1
566 1 32 LEU H 1 32 LEU QB . . 3.120 2.182 2.086 2.403 . 0 0 "[ . 1 . 2]" 1
567 1 32 LEU H 1 32 LEU QD . . 4.500 3.570 3.313 3.763 . 0 0 "[ . 1 . 2]" 1
568 1 32 LEU H 1 32 LEU HG . . 4.430 4.466 4.060 4.590 0.160 17 0 "[ . 1 . 2]" 1
569 1 32 LEU H 1 33 LEU H . . 3.530 2.751 2.026 2.923 . 0 0 "[ . 1 . 2]" 1
570 1 32 LEU H 1 33 LEU HB2 . . 5.500 4.973 4.031 5.224 . 0 0 "[ . 1 . 2]" 1
571 1 32 LEU H 1 33 LEU QD . . 5.500 4.475 3.189 4.845 . 0 0 "[ . 1 . 2]" 1
572 1 32 LEU H 1 33 LEU HG . . 4.550 4.301 4.033 4.772 0.222 17 0 "[ . 1 . 2]" 1
573 1 32 LEU H 1 34 GLN H . . 5.500 3.972 3.794 4.324 . 0 0 "[ . 1 . 2]" 1
574 1 32 LEU HA 1 32 LEU QB . . 2.780 2.407 2.266 2.503 . 0 0 "[ . 1 . 2]" 1
575 1 32 LEU HA 1 32 LEU QD . . 3.090 2.092 1.897 2.979 . 0 0 "[ . 1 . 2]" 1
576 1 32 LEU HA 1 32 LEU HG . . 3.520 3.416 2.361 3.681 0.161 5 0 "[ . 1 . 2]" 1
577 1 32 LEU HA 1 35 LYS H . . 3.870 3.522 3.279 3.741 . 0 0 "[ . 1 . 2]" 1
578 1 32 LEU HA 1 35 LYS QD . . 3.710 2.758 2.124 3.718 0.008 16 0 "[ . 1 . 2]" 1
579 1 32 LEU HA 1 35 LYS QE . . 3.870 3.223 1.993 3.875 0.005 7 0 "[ . 1 . 2]" 1
580 1 32 LEU QB 1 33 LEU H . . 4.030 2.344 2.195 2.787 . 0 0 "[ . 1 . 2]" 1
581 1 32 LEU QB 1 70 GLU HG3 . . 4.700 3.638 1.979 4.819 0.119 1 0 "[ . 1 . 2]" 1
582 1 32 LEU QD 1 33 LEU H . . 4.510 3.335 2.818 3.792 . 0 0 "[ . 1 . 2]" 1
583 1 32 LEU QD 1 35 LYS H . . 5.370 4.224 3.874 4.799 . 0 0 "[ . 1 . 2]" 1
584 1 32 LEU QD 1 35 LYS QD . . 4.200 2.697 1.926 3.661 . 0 0 "[ . 1 . 2]" 1
585 1 32 LEU QD 1 35 LYS QE . . 4.590 3.256 1.920 4.403 . 0 0 "[ . 1 . 2]" 1
586 1 32 LEU QD 1 36 GLU H . . 5.170 3.188 2.844 3.745 . 0 0 "[ . 1 . 2]" 1
587 1 32 LEU QD 1 36 GLU HB2 . . 4.730 2.649 1.967 3.098 . 0 0 "[ . 1 . 2]" 1
588 1 32 LEU QD 1 36 GLU HG2 . . 4.470 2.791 1.993 3.527 . 0 0 "[ . 1 . 2]" 1
589 1 32 LEU QD 1 36 GLU HG3 . . 3.980 2.388 1.910 3.304 . 0 0 "[ . 1 . 2]" 1
590 1 32 LEU QD 1 58 LEU QD . . 3.240 2.411 2.203 2.993 . 0 0 "[ . 1 . 2]" 1
591 1 32 LEU QD 1 61 ARG QD . . 4.180 2.995 2.305 3.601 . 0 0 "[ . 1 . 2]" 1
592 1 32 LEU QD 1 70 GLU H . . 5.500 4.375 2.939 5.029 . 0 0 "[ . 1 . 2]" 1
593 1 32 LEU QD 1 70 GLU HB2 . . 4.180 3.043 1.969 3.642 . 0 0 "[ . 1 . 2]" 1
594 1 32 LEU QD 1 70 GLU HB3 . . 4.300 3.071 1.927 3.852 . 0 0 "[ . 1 . 2]" 1
595 1 32 LEU QD 1 70 GLU HG3 . . 4.030 3.407 1.925 4.179 0.149 20 0 "[ . 1 . 2]" 1
596 1 32 LEU HG 1 33 LEU H . . 4.800 4.421 3.314 4.906 0.106 17 0 "[ . 1 . 2]" 1
597 1 33 LEU H 1 33 LEU HB2 . . 3.810 2.642 2.309 2.756 . 0 0 "[ . 1 . 2]" 1
598 1 33 LEU H 1 33 LEU HB3 . . 3.580 3.575 3.555 3.588 0.008 18 0 "[ . 1 . 2]" 1
599 1 33 LEU H 1 33 LEU QD . . 4.030 2.701 2.027 3.047 . 0 0 "[ . 1 . 2]" 1
600 1 33 LEU H 1 33 LEU HG . . 3.260 2.092 1.940 3.318 0.058 17 0 "[ . 1 . 2]" 1
601 1 33 LEU HA 1 33 LEU QD . . 3.100 2.140 1.859 2.404 . 0 0 "[ . 1 . 2]" 1
602 1 33 LEU HA 1 33 LEU HG . . 4.110 3.266 2.949 3.698 . 0 0 "[ . 1 . 2]" 1
603 1 33 LEU HA 1 34 GLN HA . . 5.210 4.750 4.700 4.817 . 0 0 "[ . 1 . 2]" 1
604 1 33 LEU HA 1 35 LYS H . . 5.030 4.826 4.435 5.043 0.013 18 0 "[ . 1 . 2]" 1
605 1 33 LEU HA 1 36 GLU H . . 4.290 3.727 3.468 4.003 . 0 0 "[ . 1 . 2]" 1
606 1 33 LEU HA 1 36 GLU HB2 . . 4.120 2.718 2.462 3.343 . 0 0 "[ . 1 . 2]" 1
607 1 33 LEU HA 1 36 GLU HB3 . . 4.000 3.570 2.807 3.857 . 0 0 "[ . 1 . 2]" 1
608 1 33 LEU HA 1 38 LEU HB2 . . 3.900 2.967 2.854 3.014 . 0 0 "[ . 1 . 2]" 1
609 1 33 LEU HA 1 38 LEU HB3 . . 4.420 4.420 4.317 4.455 0.035 17 0 "[ . 1 . 2]" 1
610 1 33 LEU HA 1 38 LEU MD1 . . 3.510 2.190 1.895 2.893 . 0 0 "[ . 1 . 2]" 1
611 1 33 LEU HA 1 38 LEU HG . . 4.400 3.407 3.234 3.887 . 0 0 "[ . 1 . 2]" 1
612 1 33 LEU HA 1 54 ILE MG . . 5.330 4.472 4.238 4.683 . 0 0 "[ . 1 . 2]" 1
613 1 33 LEU HA 1 58 LEU QD . . 5.290 3.891 3.652 4.469 . 0 0 "[ . 1 . 2]" 1
614 1 33 LEU HB2 1 34 GLN H . . 4.190 2.830 2.501 3.095 . 0 0 "[ . 1 . 2]" 1
615 1 33 LEU HB2 1 34 GLN HA . . 4.370 4.222 4.138 4.435 0.065 17 0 "[ . 1 . 2]" 1
616 1 33 LEU HB2 1 35 LYS H . . 5.500 5.393 5.017 5.518 0.018 18 0 "[ . 1 . 2]" 1
617 1 33 LEU HB2 1 38 LEU HB2 . . 4.460 3.850 3.494 4.276 . 0 0 "[ . 1 . 2]" 1
618 1 33 LEU HB3 1 38 LEU H . . 4.970 4.300 4.140 4.415 . 0 0 "[ . 1 . 2]" 1
619 1 33 LEU QD 1 36 GLU H . . 5.500 5.025 4.488 5.272 . 0 0 "[ . 1 . 2]" 1
620 1 33 LEU QD 1 38 LEU HB2 . . 4.090 3.202 2.363 3.417 . 0 0 "[ . 1 . 2]" 1
621 1 33 LEU QD 1 38 LEU MD1 . . 3.250 1.826 1.706 1.976 . 0 0 "[ . 1 . 2]" 1
622 1 33 LEU QD 1 54 ILE HA . . 4.440 4.279 4.056 4.381 . 0 0 "[ . 1 . 2]" 1
623 1 33 LEU QD 1 54 ILE MG . . 3.560 2.062 1.874 2.270 . 0 0 "[ . 1 . 2]" 1
624 1 33 LEU QD 1 58 LEU QD . . 3.710 1.994 1.786 2.481 . 0 0 "[ . 1 . 2]" 1
625 1 33 LEU QD 1 58 LEU HG . . 4.210 3.434 3.081 3.750 . 0 0 "[ . 1 . 2]" 1
626 1 33 LEU QD 1 74 TRP HE3 . . 5.180 3.034 2.754 3.584 . 0 0 "[ . 1 . 2]" 1
627 1 33 LEU QD 1 74 TRP HZ3 . . 5.410 2.923 2.499 3.583 . 0 0 "[ . 1 . 2]" 1
628 1 34 GLN H 1 34 GLN QB . . 3.090 2.335 2.067 2.562 . 0 0 "[ . 1 . 2]" 1
629 1 34 GLN H 1 34 GLN HG3 . . 3.820 2.562 1.966 3.639 . 0 0 "[ . 1 . 2]" 1
630 1 34 GLN H 1 35 LYS H . . 3.500 2.680 2.423 2.911 . 0 0 "[ . 1 . 2]" 1
631 1 34 GLN H 1 39 LEU MD1 . . 5.060 2.776 2.626 2.965 . 0 0 "[ . 1 . 2]" 1
632 1 34 GLN HA 1 34 GLN HE21 . . 5.500 4.501 4.224 4.966 . 0 0 "[ . 1 . 2]" 1
633 1 34 GLN HA 1 34 GLN HG2 . . 3.410 2.478 2.106 2.738 . 0 0 "[ . 1 . 2]" 1
634 1 34 GLN HA 1 34 GLN HG3 . . 3.840 2.987 2.781 3.113 . 0 0 "[ . 1 . 2]" 1
635 1 34 GLN HA 1 38 LEU H . . 4.110 3.709 3.460 3.772 . 0 0 "[ . 1 . 2]" 1
636 1 34 GLN HA 1 39 LEU H . . 3.950 2.975 2.792 3.141 . 0 0 "[ . 1 . 2]" 1
637 1 34 GLN HA 1 39 LEU HB2 . . 4.790 4.815 4.798 4.848 0.058 8 0 "[ . 1 . 2]" 1
638 1 34 GLN HA 1 39 LEU MD1 . . 4.500 2.042 1.964 2.176 . 0 0 "[ . 1 . 2]" 1
639 1 34 GLN QB 1 35 LYS H . . 3.200 2.356 2.127 2.728 . 0 0 "[ . 1 . 2]" 1
640 1 34 GLN QB 1 35 LYS QG . . 5.000 3.707 2.930 5.013 0.013 3 0 "[ . 1 . 2]" 1
641 1 34 GLN QB 1 37 GLY H . . 5.120 4.747 4.605 5.000 . 0 0 "[ . 1 . 2]" 1
642 1 34 GLN QB 1 38 LEU H . . 5.440 5.436 5.229 5.463 0.023 18 0 "[ . 1 . 2]" 1
643 1 34 GLN QB 1 39 LEU MD1 . . 4.390 3.193 2.933 3.254 . 0 0 "[ . 1 . 2]" 1
644 1 34 GLN HE21 1 39 LEU MD1 . . 5.400 3.543 3.335 3.953 . 0 0 "[ . 1 . 2]" 1
645 1 34 GLN HE21 1 40 MET HA . . 4.990 4.255 3.671 4.992 0.002 8 0 "[ . 1 . 2]" 1
646 1 34 GLN HE21 1 41 SER HA . . 5.460 2.192 1.948 2.888 . 0 0 "[ . 1 . 2]" 1
647 1 34 GLN HE21 1 42 PRO HD2 . . 5.360 4.091 3.576 4.622 . 0 0 "[ . 1 . 2]" 1
648 1 34 GLN HE21 1 42 PRO HG3 . . 5.490 5.178 4.359 5.492 0.002 2 0 "[ . 1 . 2]" 1
649 1 34 GLN HE22 1 39 LEU MD1 . . 5.110 4.626 4.487 4.817 . 0 0 "[ . 1 . 2]" 1
650 1 34 GLN HE22 1 41 SER HA . . 5.350 2.984 2.634 3.666 . 0 0 "[ . 1 . 2]" 1
651 1 34 GLN HE22 1 42 PRO HD2 . . 5.090 3.970 3.693 4.404 . 0 0 "[ . 1 . 2]" 1
652 1 34 GLN HE22 1 42 PRO HG3 . . 5.220 4.488 3.934 5.215 . 0 0 "[ . 1 . 2]" 1
653 1 34 GLN HG2 1 39 LEU HB2 . . 4.760 4.378 4.165 4.678 . 0 0 "[ . 1 . 2]" 1
654 1 34 GLN HG2 1 39 LEU MD1 . . 4.650 2.135 1.971 2.588 . 0 0 "[ . 1 . 2]" 1
655 1 34 GLN HG2 1 40 MET HA . . 4.970 3.748 2.739 4.626 . 0 0 "[ . 1 . 2]" 1
656 1 34 GLN HG3 1 35 LYS H . . 5.220 4.382 3.969 5.059 . 0 0 "[ . 1 . 2]" 1
657 1 34 GLN HG3 1 39 LEU MD1 . . 4.290 2.124 1.990 2.231 . 0 0 "[ . 1 . 2]" 1
658 1 34 GLN HG3 1 39 LEU MD2 . . 4.560 4.151 4.006 4.456 . 0 0 "[ . 1 . 2]" 1
659 1 35 LYS H 1 35 LYS QB . . 2.810 2.472 2.183 2.632 . 0 0 "[ . 1 . 2]" 1
660 1 35 LYS H 1 35 LYS QD . . 4.570 3.796 2.634 4.586 0.016 3 0 "[ . 1 . 2]" 1
661 1 35 LYS H 1 35 LYS QG . . 4.070 2.357 1.922 3.895 . 0 0 "[ . 1 . 2]" 1
662 1 35 LYS H 1 36 GLU H . . 3.570 2.685 2.419 2.898 . 0 0 "[ . 1 . 2]" 1
663 1 35 LYS H 1 37 GLY H . . 5.430 3.993 3.855 4.068 . 0 0 "[ . 1 . 2]" 1
664 1 35 LYS HA 1 35 LYS QB . . 2.630 2.285 2.176 2.467 . 0 0 "[ . 1 . 2]" 1
665 1 35 LYS QB 1 36 GLU H . . 3.470 2.949 2.233 3.569 0.099 17 0 "[ . 1 . 2]" 1
666 1 35 LYS QB 1 37 GLY H . . 4.850 4.526 4.334 4.760 . 0 0 "[ . 1 . 2]" 1
667 1 35 LYS QE 1 35 LYS QG . . 3.190 2.115 1.957 2.304 . 0 0 "[ . 1 . 2]" 1
668 1 35 LYS QG 1 36 GLU H . . 4.610 3.092 2.018 4.222 . 0 0 "[ . 1 . 2]" 1
669 1 36 GLU H 1 36 GLU HB2 . . 3.240 2.089 2.063 2.183 . 0 0 "[ . 1 . 2]" 1
670 1 36 GLU H 1 36 GLU HB3 . . 3.360 3.309 2.933 3.387 0.027 4 0 "[ . 1 . 2]" 1
671 1 36 GLU H 1 37 GLY H . . 3.570 2.662 2.544 2.756 . 0 0 "[ . 1 . 2]" 1
672 1 36 GLU H 1 38 LEU HG . . 4.690 4.693 4.629 4.718 0.028 10 0 "[ . 1 . 2]" 1
673 1 36 GLU HA 1 36 GLU HG2 . . 4.060 2.286 2.018 3.572 . 0 0 "[ . 1 . 2]" 1
674 1 36 GLU HA 1 36 GLU HG3 . . 3.490 3.408 2.691 3.583 0.093 20 0 "[ . 1 . 2]" 1
675 1 36 GLU HB2 1 37 GLY H . . 4.370 3.482 3.347 3.857 . 0 0 "[ . 1 . 2]" 1
676 1 36 GLU HB2 1 38 LEU H . . 4.450 3.838 3.586 4.349 . 0 0 "[ . 1 . 2]" 1
677 1 36 GLU HB2 1 38 LEU MD1 . . 3.830 3.091 2.663 3.670 . 0 0 "[ . 1 . 2]" 1
678 1 36 GLU HB2 1 38 LEU HG . . 3.890 3.259 3.085 3.699 . 0 0 "[ . 1 . 2]" 1
679 1 36 GLU HB3 1 37 GLY H . . 4.400 3.450 3.066 3.933 . 0 0 "[ . 1 . 2]" 1
680 1 36 GLU HB3 1 38 LEU H . . 4.140 3.349 2.998 3.773 . 0 0 "[ . 1 . 2]" 1
681 1 36 GLU HB3 1 38 LEU MD2 . . 4.570 3.403 3.229 3.592 . 0 0 "[ . 1 . 2]" 1
682 1 37 GLY H 1 38 LEU H . . 3.540 2.291 2.148 2.635 . 0 0 "[ . 1 . 2]" 1
683 1 37 GLY H 1 38 LEU HB2 . . 4.740 4.496 4.336 4.745 0.005 17 0 "[ . 1 . 2]" 1
684 1 37 GLY H 1 38 LEU MD2 . . 5.370 5.061 4.778 5.385 0.015 17 0 "[ . 1 . 2]" 1
685 1 37 GLY H 1 38 LEU HG . . 4.830 4.024 3.787 4.605 . 0 0 "[ . 1 . 2]" 1
686 1 37 GLY H 1 39 LEU H . . 4.700 4.194 3.836 4.448 . 0 0 "[ . 1 . 2]" 1
687 1 37 GLY H 1 39 LEU MD1 . . 5.500 4.917 4.787 5.109 . 0 0 "[ . 1 . 2]" 1
688 1 37 GLY HA2 1 39 LEU H . . 5.500 4.414 3.454 4.917 . 0 0 "[ . 1 . 2]" 1
689 1 37 GLY HA3 1 38 LEU MD2 . . 5.100 4.764 4.609 4.902 . 0 0 "[ . 1 . 2]" 1
690 1 38 LEU H 1 38 LEU HB2 . . 3.310 2.443 2.342 2.516 . 0 0 "[ . 1 . 2]" 1
691 1 38 LEU H 1 38 LEU MD2 . . 3.890 3.639 3.485 3.822 . 0 0 "[ . 1 . 2]" 1
692 1 38 LEU H 1 38 LEU HG . . 3.330 2.570 2.452 2.821 . 0 0 "[ . 1 . 2]" 1
693 1 38 LEU H 1 39 LEU H . . 3.230 2.490 2.258 2.591 . 0 0 "[ . 1 . 2]" 1
694 1 38 LEU H 1 39 LEU HA . . 4.980 4.978 4.919 5.008 0.028 3 0 "[ . 1 . 2]" 1
695 1 38 LEU HA 1 38 LEU MD2 . . 2.900 2.181 1.955 2.459 . 0 0 "[ . 1 . 2]" 1
696 1 38 LEU HA 1 54 ILE HG12 . . 4.170 3.961 3.574 4.173 0.003 13 0 "[ . 1 . 2]" 1
697 1 38 LEU HB2 1 38 LEU MD1 . . 3.280 2.294 2.113 2.422 . 0 0 "[ . 1 . 2]" 1
698 1 38 LEU HB2 1 39 LEU H . . 3.920 2.344 2.007 3.162 . 0 0 "[ . 1 . 2]" 1
699 1 38 LEU HB2 1 39 LEU MD1 . . 4.920 3.708 3.504 4.012 . 0 0 "[ . 1 . 2]" 1
700 1 38 LEU HB3 1 38 LEU MD2 . . 3.190 2.258 2.106 2.363 . 0 0 "[ . 1 . 2]" 1
701 1 38 LEU HB3 1 39 LEU MD2 . . 5.210 4.168 3.802 4.382 . 0 0 "[ . 1 . 2]" 1
702 1 38 LEU HB3 1 39 LEU HG . . 3.450 3.428 3.280 3.471 0.021 6 0 "[ . 1 . 2]" 1
703 1 38 LEU HB3 1 54 ILE MD . . 4.710 2.312 2.179 2.608 . 0 0 "[ . 1 . 2]" 1
704 1 38 LEU HB3 1 54 ILE HG12 . . 3.550 1.997 1.985 2.066 . 0 0 "[ . 1 . 2]" 1
705 1 38 LEU MD1 1 39 LEU H . . 5.080 4.244 3.825 5.024 . 0 0 "[ . 1 . 2]" 1
706 1 38 LEU MD1 1 54 ILE HA . . 3.810 2.474 2.238 2.782 . 0 0 "[ . 1 . 2]" 1
707 1 38 LEU MD1 1 54 ILE MG . . 4.070 1.990 1.740 2.257 . 0 0 "[ . 1 . 2]" 1
708 1 38 LEU MD1 1 58 LEU H . . 5.050 4.194 3.872 4.401 . 0 0 "[ . 1 . 2]" 1
709 1 38 LEU MD2 1 53 PRO HA . . 5.210 5.083 4.849 5.216 0.006 20 0 "[ . 1 . 2]" 1
710 1 38 LEU MD2 1 53 PRO HB2 . . 4.470 3.531 3.256 3.749 . 0 0 "[ . 1 . 2]" 1
711 1 38 LEU MD2 1 54 ILE H . . 5.030 4.010 3.526 4.301 . 0 0 "[ . 1 . 2]" 1
712 1 38 LEU MD2 1 54 ILE HA . . 3.510 2.220 1.974 2.501 . 0 0 "[ . 1 . 2]" 1
713 1 38 LEU MD2 1 54 ILE HG12 . . 3.890 2.153 1.945 2.447 . 0 0 "[ . 1 . 2]" 1
714 1 38 LEU MD2 1 54 ILE HG13 . . 4.100 2.668 2.289 3.107 . 0 0 "[ . 1 . 2]" 1
715 1 38 LEU MD2 1 55 THR H . . 5.500 5.245 5.009 5.427 . 0 0 "[ . 1 . 2]" 1
716 1 38 LEU MD2 1 57 ALA H . . 4.730 4.607 4.399 4.761 0.031 10 0 "[ . 1 . 2]" 1
717 1 38 LEU MD2 1 57 ALA MB . . 2.970 2.684 2.451 2.854 . 0 0 "[ . 1 . 2]" 1
718 1 38 LEU HG 1 54 ILE MD . . 5.010 4.804 4.713 5.006 . 0 0 "[ . 1 . 2]" 1
719 1 38 LEU HG 1 54 ILE HG12 . . 5.180 3.854 3.764 3.978 . 0 0 "[ . 1 . 2]" 1
720 1 39 LEU H 1 39 LEU HB2 . . 3.870 3.685 3.608 3.904 0.034 17 0 "[ . 1 . 2]" 1
721 1 39 LEU H 1 39 LEU MD1 . . 4.820 2.475 2.275 2.904 . 0 0 "[ . 1 . 2]" 1
722 1 39 LEU H 1 39 LEU HG . . 4.600 2.147 1.945 2.622 . 0 0 "[ . 1 . 2]" 1
723 1 39 LEU H 1 40 MET H . . 4.680 4.448 4.248 4.500 . 0 0 "[ . 1 . 2]" 1
724 1 39 LEU HA 1 39 LEU MD1 . . 3.720 3.643 3.625 3.660 . 0 0 "[ . 1 . 2]" 1
725 1 39 LEU HA 1 39 LEU MD2 . . 3.940 4.025 4.005 4.048 0.108 10 0 "[ . 1 . 2]" 1
726 1 39 LEU HA 1 39 LEU HG . . 4.160 3.602 3.573 3.620 . 0 0 "[ . 1 . 2]" 1
727 1 39 LEU HA 1 40 MET H . . 2.950 2.397 2.209 2.472 . 0 0 "[ . 1 . 2]" 1
728 1 39 LEU HA 1 44 ASP HB2 . . 4.710 4.516 4.055 4.733 0.023 16 0 "[ . 1 . 2]" 1
729 1 39 LEU HA 1 44 ASP HB3 . . 4.420 4.422 4.355 4.468 0.048 10 0 "[ . 1 . 2]" 1
730 1 39 LEU HB2 1 39 LEU MD1 . . 3.450 2.182 2.110 2.213 . 0 0 "[ . 1 . 2]" 1
731 1 39 LEU HB2 1 40 MET H . . 4.650 2.469 2.285 3.011 . 0 0 "[ . 1 . 2]" 1
732 1 39 LEU HB2 1 41 SER H . . 5.010 2.474 2.389 2.701 . 0 0 "[ . 1 . 2]" 1
733 1 39 LEU HB2 1 54 ILE MD . . 4.990 5.015 4.975 5.043 0.053 17 0 "[ . 1 . 2]" 1
734 1 39 LEU HB3 1 40 MET H . . 4.520 3.521 3.394 3.829 . 0 0 "[ . 1 . 2]" 1
735 1 39 LEU HB3 1 41 SER H . . 4.540 4.172 4.087 4.420 . 0 0 "[ . 1 . 2]" 1
736 1 39 LEU HB3 1 44 ASP HB2 . . 4.740 3.330 2.886 3.662 . 0 0 "[ . 1 . 2]" 1
737 1 39 LEU MD1 1 40 MET H . . 4.560 3.546 3.258 3.818 . 0 0 "[ . 1 . 2]" 1
738 1 39 LEU MD1 1 41 SER H . . 4.700 2.833 2.704 2.908 . 0 0 "[ . 1 . 2]" 1
739 1 39 LEU MD1 1 42 PRO HA . . 3.850 3.170 2.447 3.409 . 0 0 "[ . 1 . 2]" 1
740 1 39 LEU MD1 1 44 ASP HB2 . . 3.720 3.711 3.510 3.730 0.010 3 0 "[ . 1 . 2]" 1
741 1 39 LEU MD1 1 44 ASP HB3 . . 3.910 3.894 3.764 3.921 0.011 3 0 "[ . 1 . 2]" 1
742 1 39 LEU MD2 1 44 ASP H . . 4.150 3.552 3.399 3.709 . 0 0 "[ . 1 . 2]" 1
743 1 39 LEU MD2 1 44 ASP HA . . 4.770 4.542 4.404 4.782 0.012 10 0 "[ . 1 . 2]" 1
744 1 39 LEU MD2 1 44 ASP HB2 . . 3.740 3.109 2.967 3.524 . 0 0 "[ . 1 . 2]" 1
745 1 39 LEU MD2 1 44 ASP HB3 . . 4.480 2.049 1.946 2.404 . 0 0 "[ . 1 . 2]" 1
746 1 39 LEU MD2 1 45 LEU H . . 3.750 3.573 3.276 3.762 0.012 17 0 "[ . 1 . 2]" 1
747 1 39 LEU MD2 1 54 ILE MD . . 3.690 3.070 2.882 3.217 . 0 0 "[ . 1 . 2]" 1
748 1 39 LEU MD2 1 54 ILE MG . . 4.980 4.044 3.876 4.165 . 0 0 "[ . 1 . 2]" 1
749 1 39 LEU HG 1 40 MET H . . 5.330 4.886 4.780 5.090 . 0 0 "[ . 1 . 2]" 1
750 1 39 LEU HG 1 41 SER H . . 5.160 5.158 5.098 5.197 0.037 8 0 "[ . 1 . 2]" 1
751 1 40 MET H 1 40 MET HB3 . . 3.410 3.342 2.338 3.667 0.257 12 0 "[ . 1 . 2]" 1
752 1 40 MET H 1 40 MET HG2 . . 4.200 3.738 1.976 4.748 0.548 1 2 "[+ . 1 . -]" 1
753 1 40 MET H 1 40 MET HG3 . . 4.760 3.718 2.849 4.579 . 0 0 "[ . 1 . 2]" 1
754 1 40 MET H 1 41 SER H . . 3.090 2.221 2.089 2.588 . 0 0 "[ . 1 . 2]" 1
755 1 40 MET H 1 41 SER HA . . 5.500 4.921 4.815 5.183 . 0 0 "[ . 1 . 2]" 1
756 1 40 MET H 1 41 SER HB2 . . 5.480 4.929 4.329 5.820 0.340 10 0 "[ . 1 . 2]" 1
757 1 40 MET H 1 44 ASP HB2 . . 5.470 3.669 3.486 4.023 . 0 0 "[ . 1 . 2]" 1
758 1 40 MET H 1 44 ASP HB3 . . 5.120 4.518 4.307 5.122 0.002 18 0 "[ . 1 . 2]" 1
759 1 40 MET HA 1 40 MET ME . . 3.480 2.997 2.213 3.476 . 0 0 "[ . 1 . 2]" 1
760 1 40 MET HA 1 40 MET HG2 . . 3.830 2.832 2.054 3.841 0.011 7 0 "[ . 1 . 2]" 1
761 1 40 MET HA 1 40 MET HG3 . . 4.230 3.077 2.020 4.090 . 0 0 "[ . 1 . 2]" 1
762 1 40 MET HA 1 41 SER H . . 3.570 3.464 3.447 3.527 . 0 0 "[ . 1 . 2]" 1
763 1 40 MET HB3 1 41 SER H . . 3.560 3.601 3.008 4.019 0.459 8 0 "[ . 1 . 2]" 1
764 1 40 MET HG2 1 41 SER H . . 5.500 4.794 1.947 5.436 . 0 0 "[ . 1 . 2]" 1
765 1 41 SER H 1 41 SER HB2 . . 3.670 3.052 2.670 3.729 0.059 19 0 "[ . 1 . 2]" 1
766 1 41 SER H 1 41 SER HB3 . . 3.640 3.534 2.684 3.680 0.040 6 0 "[ . 1 . 2]" 1
767 1 41 SER H 1 42 PRO HD3 . . 4.800 4.961 4.948 4.979 0.179 15 0 "[ . 1 . 2]" 1
768 1 41 SER H 1 44 ASP H . . 4.570 4.000 3.924 4.094 . 0 0 "[ . 1 . 2]" 1
769 1 41 SER H 1 44 ASP HB2 . . 4.740 2.820 2.734 3.028 . 0 0 "[ . 1 . 2]" 1
770 1 41 SER HA 1 41 SER HB3 . . 2.930 2.646 2.270 2.921 . 0 0 "[ . 1 . 2]" 1
771 1 41 SER HA 1 42 PRO HD2 . . 2.720 2.513 2.501 2.524 . 0 0 "[ . 1 . 2]" 1
772 1 41 SER HA 1 42 PRO HD3 . . 3.060 2.348 2.342 2.354 . 0 0 "[ . 1 . 2]" 1
773 1 41 SER HA 1 43 SER H . . 4.840 4.055 3.951 4.304 . 0 0 "[ . 1 . 2]" 1
774 1 42 PRO HA 1 44 ASP H . . 4.490 3.597 3.499 3.719 . 0 0 "[ . 1 . 2]" 1
775 1 42 PRO HA 1 45 LEU H . . 4.510 4.265 4.010 4.441 . 0 0 "[ . 1 . 2]" 1
776 1 42 PRO HB3 1 44 ASP H . . 5.500 5.482 5.421 5.528 0.028 10 0 "[ . 1 . 2]" 1
777 1 42 PRO HG2 1 43 SER H . . 4.170 2.768 2.291 3.047 . 0 0 "[ . 1 . 2]" 1
778 1 42 PRO HG3 1 43 SER H . . 4.900 4.178 3.824 4.388 . 0 0 "[ . 1 . 2]" 1
779 1 43 SER H 1 43 SER HB2 . . 3.580 3.428 3.290 3.608 0.028 19 0 "[ . 1 . 2]" 1
780 1 43 SER H 1 44 ASP H . . 3.580 2.475 2.406 2.626 . 0 0 "[ . 1 . 2]" 1
781 1 43 SER H 1 44 ASP HB2 . . 5.500 4.239 4.174 4.437 . 0 0 "[ . 1 . 2]" 1
782 1 43 SER H 1 45 LEU H . . 4.290 4.328 4.273 4.390 0.100 19 0 "[ . 1 . 2]" 1
783 1 43 SER HA 1 43 SER HB2 . . 2.920 2.722 2.480 2.823 . 0 0 "[ . 1 . 2]" 1
784 1 43 SER HA 1 43 SER HB3 . . 2.980 2.276 2.240 2.439 . 0 0 "[ . 1 . 2]" 1
785 1 43 SER HA 1 45 LEU H . . 4.090 3.314 3.253 3.410 . 0 0 "[ . 1 . 2]" 1
786 1 43 SER HA 1 46 TYR H . . 4.450 4.139 4.013 4.394 . 0 0 "[ . 1 . 2]" 1
787 1 43 SER HA 1 46 TYR QD . . 3.880 3.859 3.744 3.892 0.012 8 0 "[ . 1 . 2]" 1
788 1 43 SER HA 1 46 TYR QE . . 4.100 3.276 3.102 3.364 . 0 0 "[ . 1 . 2]" 1
789 1 43 SER HB2 1 44 ASP H . . 4.370 3.862 3.726 4.208 . 0 0 "[ . 1 . 2]" 1
790 1 43 SER HB2 1 45 LEU H . . 5.190 4.869 4.845 4.934 . 0 0 "[ . 1 . 2]" 1
791 1 43 SER HB2 1 46 TYR QD . . 3.850 3.415 2.785 3.741 . 0 0 "[ . 1 . 2]" 1
792 1 43 SER HB2 1 46 TYR QE . . 4.000 3.700 2.798 4.008 0.008 15 0 "[ . 1 . 2]" 1
793 1 43 SER HB3 1 46 TYR QD . . 4.310 4.087 3.678 4.351 0.041 19 0 "[ . 1 . 2]" 1
794 1 43 SER HB3 1 46 TYR QE . . 4.260 3.228 2.703 3.646 . 0 0 "[ . 1 . 2]" 1
795 1 44 ASP H 1 44 ASP HB2 . . 3.180 2.176 2.098 2.294 . 0 0 "[ . 1 . 2]" 1
796 1 44 ASP H 1 44 ASP HB3 . . 3.490 2.993 2.887 3.134 . 0 0 "[ . 1 . 2]" 1
797 1 44 ASP H 1 45 LEU H . . 3.450 2.588 2.523 2.632 . 0 0 "[ . 1 . 2]" 1
798 1 44 ASP H 1 45 LEU HB2 . . 5.000 4.426 4.228 4.746 . 0 0 "[ . 1 . 2]" 1
799 1 44 ASP H 1 46 TYR H . . 5.050 4.415 4.380 4.472 . 0 0 "[ . 1 . 2]" 1
800 1 44 ASP HA 1 46 TYR H . . 4.500 3.407 3.258 3.586 . 0 0 "[ . 1 . 2]" 1
801 1 44 ASP HA 1 47 SER H . . 4.520 3.972 3.548 4.555 0.035 16 0 "[ . 1 . 2]" 1
802 1 44 ASP HA 1 47 SER QB . . 3.420 3.224 2.965 3.444 0.024 8 0 "[ . 1 . 2]" 1
803 1 44 ASP HB2 1 45 LEU H . . 4.110 3.896 3.745 4.087 . 0 0 "[ . 1 . 2]" 1
804 1 44 ASP HB3 1 45 LEU H . . 4.490 3.403 3.295 3.624 . 0 0 "[ . 1 . 2]" 1
805 1 44 ASP HB3 1 46 TYR H . . 5.450 4.924 4.877 5.069 . 0 0 "[ . 1 . 2]" 1
806 1 44 ASP HB3 1 47 SER H . . 5.500 4.984 4.812 5.374 . 0 0 "[ . 1 . 2]" 1
807 1 45 LEU H 1 45 LEU HB2 . . 3.430 2.112 2.041 2.447 . 0 0 "[ . 1 . 2]" 1
808 1 45 LEU H 1 46 TYR H . . 3.690 2.655 2.596 2.720 . 0 0 "[ . 1 . 2]" 1
809 1 45 LEU HA 1 45 LEU QD . . 3.390 2.296 1.959 2.564 . 0 0 "[ . 1 . 2]" 1
810 1 45 LEU HA 1 45 LEU HG . . 4.250 2.689 2.350 3.626 . 0 0 "[ . 1 . 2]" 1
811 1 45 LEU HA 1 47 SER H . . 4.610 3.420 3.323 3.505 . 0 0 "[ . 1 . 2]" 1
812 1 45 LEU HA 1 51 TRP HE1 . . 4.130 2.927 2.681 3.508 . 0 0 "[ . 1 . 2]" 1
813 1 45 LEU HA 1 54 ILE MD . . 4.940 4.882 4.500 4.983 0.043 4 0 "[ . 1 . 2]" 1
814 1 45 LEU HA 1 81 LEU QD . . 5.160 3.590 3.282 3.933 . 0 0 "[ . 1 . 2]" 1
815 1 45 LEU HB2 1 46 TYR H . . 4.100 3.506 3.292 4.106 0.006 2 0 "[ . 1 . 2]" 1
816 1 45 LEU HB2 1 46 TYR QD . . 4.760 4.587 4.328 5.325 0.565 7 1 "[ . + 1 . 2]" 1
817 1 45 LEU HB2 1 47 SER H . . 5.400 5.205 5.018 5.436 0.036 16 0 "[ . 1 . 2]" 1
818 1 45 LEU HB2 1 81 LEU QD . . 4.490 3.689 3.272 4.187 . 0 0 "[ . 1 . 2]" 1
819 1 45 LEU HB3 1 46 TYR H . . 4.260 3.443 3.093 3.955 . 0 0 "[ . 1 . 2]" 1
820 1 45 LEU QD 1 46 TYR H . . 5.500 4.233 4.034 4.353 . 0 0 "[ . 1 . 2]" 1
821 1 45 LEU QD 1 51 TRP HD1 . . 5.160 4.489 3.650 4.989 . 0 0 "[ . 1 . 2]" 1
822 1 45 LEU QD 1 51 TRP HE1 . . 4.850 3.568 2.267 4.446 . 0 0 "[ . 1 . 2]" 1
823 1 45 LEU QD 1 54 ILE MD . . 4.310 4.030 3.648 4.236 . 0 0 "[ . 1 . 2]" 1
824 1 45 LEU QD 1 54 ILE MG . . 5.110 4.343 4.020 4.574 . 0 0 "[ . 1 . 2]" 1
825 1 45 LEU QD 1 74 TRP HE3 . . 4.890 3.450 3.038 3.719 . 0 0 "[ . 1 . 2]" 1
826 1 45 LEU QD 1 74 TRP HH2 . . 4.210 3.141 2.172 3.719 . 0 0 "[ . 1 . 2]" 1
827 1 45 LEU QD 1 74 TRP HZ3 . . 3.840 2.219 1.841 2.594 . 0 0 "[ . 1 . 2]" 1
828 1 45 LEU HG 1 46 TYR H . . 5.500 5.091 4.349 5.534 0.034 4 0 "[ . 1 . 2]" 1
829 1 45 LEU HG 1 51 TRP HE1 . . 5.240 4.277 3.671 5.276 0.036 4 0 "[ . 1 . 2]" 1
830 1 45 LEU HG 1 74 TRP HZ3 . . 4.970 2.869 1.994 4.599 . 0 0 "[ . 1 . 2]" 1
831 1 45 LEU HG 1 81 LEU QD . . 4.730 2.826 1.819 4.423 . 0 0 "[ . 1 . 2]" 1
832 1 46 TYR H 1 46 TYR HB2 . . 3.350 2.611 2.533 2.689 . 0 0 "[ . 1 . 2]" 1
833 1 46 TYR H 1 46 TYR HB3 . . 3.720 3.641 3.619 3.667 . 0 0 "[ . 1 . 2]" 1
834 1 46 TYR H 1 46 TYR QE . . 5.500 4.484 4.383 4.586 . 0 0 "[ . 1 . 2]" 1
835 1 46 TYR H 1 47 SER H . . 3.090 2.657 2.529 3.050 . 0 0 "[ . 1 . 2]" 1
836 1 46 TYR H 1 47 SER QB . . 4.580 4.070 3.942 4.352 . 0 0 "[ . 1 . 2]" 1
837 1 46 TYR H 1 51 TRP HE1 . . 5.500 5.330 4.831 5.551 0.051 2 0 "[ . 1 . 2]" 1
838 1 46 TYR H 1 81 LEU QD . . 5.500 4.252 3.771 4.682 . 0 0 "[ . 1 . 2]" 1
839 1 46 TYR HA 1 46 TYR QD . . 3.040 2.201 2.153 2.286 . 0 0 "[ . 1 . 2]" 1
840 1 46 TYR HA 1 46 TYR QE . . 4.460 4.494 4.464 4.576 0.116 16 0 "[ . 1 . 2]" 1
841 1 46 TYR HA 1 81 LEU QD . . 4.530 3.082 1.940 3.705 . 0 0 "[ . 1 . 2]" 1
842 1 46 TYR HB2 1 47 SER H . . 4.300 3.785 3.531 4.161 . 0 0 "[ . 1 . 2]" 1
843 1 46 TYR HB3 1 47 SER H . . 4.600 4.440 4.364 4.535 . 0 0 "[ . 1 . 2]" 1
844 1 46 TYR HB3 1 47 SER HA . . 5.040 4.904 4.815 5.014 . 0 0 "[ . 1 . 2]" 1
845 1 46 TYR QD 1 81 LEU QD . . 3.900 2.547 1.881 3.413 . 0 0 "[ . 1 . 2]" 1
846 1 46 TYR QE 1 81 LEU QD . . 4.120 2.967 2.079 3.820 . 0 0 "[ . 1 . 2]" 1
847 1 47 SER H 1 47 SER QB . . 3.020 2.462 2.307 2.877 . 0 0 "[ . 1 . 2]" 1
848 1 47 SER H 1 48 PRO HD2 . . 5.440 4.376 4.318 4.456 . 0 0 "[ . 1 . 2]" 1
849 1 47 SER H 1 49 GLY H . . 5.500 5.244 5.029 5.519 0.019 8 0 "[ . 1 . 2]" 1
850 1 47 SER H 1 51 TRP HE1 . . 4.790 3.768 2.737 4.305 . 0 0 "[ . 1 . 2]" 1
851 1 47 SER H 1 81 LEU QD . . 5.500 4.544 3.668 5.015 . 0 0 "[ . 1 . 2]" 1
852 1 47 SER HA 1 47 SER QB . . 2.800 2.404 2.190 2.541 . 0 0 "[ . 1 . 2]" 1
853 1 47 SER HA 1 48 PRO HD2 . . 3.050 1.948 1.930 1.959 . 0 0 "[ . 1 . 2]" 1
854 1 47 SER HA 1 48 PRO HD3 . . 2.730 2.676 2.622 2.702 . 0 0 "[ . 1 . 2]" 1
855 1 47 SER HA 1 48 PRO HG2 . . 4.260 4.129 4.119 4.135 . 0 0 "[ . 1 . 2]" 1
856 1 47 SER QB 1 48 PRO HD2 . . 4.230 4.042 3.673 4.115 . 0 0 "[ . 1 . 2]" 1
857 1 48 PRO HA 1 50 SER H . . 4.590 3.810 3.486 4.250 . 0 0 "[ . 1 . 2]" 1
858 1 48 PRO HA 1 51 TRP H . . 4.540 4.129 3.962 4.230 . 0 0 "[ . 1 . 2]" 1
859 1 48 PRO HA 1 51 TRP HE1 . . 4.670 3.886 3.280 4.275 . 0 0 "[ . 1 . 2]" 1
860 1 48 PRO HA 1 51 TRP HE3 . . 4.510 3.881 3.353 4.382 . 0 0 "[ . 1 . 2]" 1
861 1 48 PRO HA 1 51 TRP HH2 . . 4.880 3.806 3.364 4.334 . 0 0 "[ . 1 . 2]" 1
862 1 48 PRO HA 1 51 TRP HZ2 . . 4.730 3.449 3.395 3.487 . 0 0 "[ . 1 . 2]" 1
863 1 48 PRO HA 1 51 TRP HZ3 . . 4.720 3.998 3.298 4.744 0.024 18 0 "[ . 1 . 2]" 1
864 1 48 PRO HB2 1 51 TRP HH2 . . 4.340 4.243 4.144 4.355 0.015 18 0 "[ . 1 . 2]" 1
865 1 48 PRO HB3 1 51 TRP HE3 . . 4.270 4.335 4.307 4.401 0.131 16 0 "[ . 1 . 2]" 1
866 1 48 PRO HB3 1 51 TRP HH2 . . 4.370 2.586 2.434 2.799 . 0 0 "[ . 1 . 2]" 1
867 1 48 PRO HB3 1 51 TRP HZ2 . . 4.810 3.588 3.172 3.883 . 0 0 "[ . 1 . 2]" 1
868 1 48 PRO HB3 1 51 TRP HZ3 . . 4.120 3.086 2.768 3.468 . 0 0 "[ . 1 . 2]" 1
869 1 48 PRO HD3 1 51 TRP HZ2 . . 5.380 3.747 3.296 4.067 . 0 0 "[ . 1 . 2]" 1
870 1 48 PRO HG3 1 51 TRP HH2 . . 4.710 4.142 3.933 4.226 . 0 0 "[ . 1 . 2]" 1
871 1 49 GLY H 1 50 SER HA . . 5.500 4.462 4.424 4.511 . 0 0 "[ . 1 . 2]" 1
872 1 49 GLY H 1 50 SER HB2 . . 5.160 3.786 3.532 4.063 . 0 0 "[ . 1 . 2]" 1
873 1 49 GLY H 1 51 TRP H . . 5.300 2.945 2.460 3.403 . 0 0 "[ . 1 . 2]" 1
874 1 49 GLY H 1 51 TRP HE1 . . 5.500 4.593 4.370 4.772 . 0 0 "[ . 1 . 2]" 1
875 1 50 SER H 1 50 SER HB2 . . 3.460 2.482 2.253 2.812 . 0 0 "[ . 1 . 2]" 1
876 1 50 SER H 1 50 SER HB3 . . 3.680 3.589 3.206 3.716 0.036 6 0 "[ . 1 . 2]" 1
877 1 50 SER H 1 51 TRP H . . 3.240 2.101 1.809 2.450 . 0 0 "[ . 1 . 2]" 1
878 1 50 SER H 1 51 TRP HA . . 5.500 4.454 4.167 4.761 . 0 0 "[ . 1 . 2]" 1
879 1 50 SER H 1 51 TRP HB2 . . 5.050 4.376 4.003 4.740 . 0 0 "[ . 1 . 2]" 1
880 1 50 SER H 1 51 TRP HD1 . . 4.770 3.946 3.399 4.366 . 0 0 "[ . 1 . 2]" 1
881 1 50 SER H 1 52 ASP H . . 5.390 4.233 3.994 4.540 . 0 0 "[ . 1 . 2]" 1
882 1 50 SER H 1 54 ILE MD . . 5.500 4.165 3.971 4.389 . 0 0 "[ . 1 . 2]" 1
883 1 50 SER HA 1 50 SER HB2 . . 2.950 2.969 2.741 2.991 0.041 19 0 "[ . 1 . 2]" 1
884 1 50 SER HA 1 50 SER HB3 . . 2.920 2.681 2.641 2.942 0.022 18 0 "[ . 1 . 2]" 1
885 1 50 SER HA 1 53 PRO HB2 . . 5.460 5.311 4.814 5.478 0.018 17 0 "[ . 1 . 2]" 1
886 1 50 SER HA 1 53 PRO QD . . 3.820 2.537 2.415 2.636 . 0 0 "[ . 1 . 2]" 1
887 1 50 SER HA 1 53 PRO HG2 . . 4.120 3.115 2.635 3.289 . 0 0 "[ . 1 . 2]" 1
888 1 50 SER HA 1 54 ILE MD . . 5.140 4.013 3.850 4.183 . 0 0 "[ . 1 . 2]" 1
889 1 50 SER HB2 1 51 TRP HD1 . . 4.220 4.254 4.141 4.718 0.498 18 0 "[ . 1 . 2]" 1
890 1 50 SER HB2 1 51 TRP HE1 . . 5.370 5.250 5.019 5.891 0.521 18 1 "[ . 1 . + 2]" 1
891 1 50 SER HB2 1 54 ILE MD . . 4.020 2.928 2.698 3.481 . 0 0 "[ . 1 . 2]" 1
892 1 50 SER HB2 1 54 ILE HG13 . . 4.790 4.617 4.323 4.798 0.008 17 0 "[ . 1 . 2]" 1
893 1 50 SER HB3 1 51 TRP HD1 . . 4.540 4.434 3.717 4.570 0.030 19 0 "[ . 1 . 2]" 1
894 1 50 SER HB3 1 53 PRO HG3 . . 4.700 4.329 4.178 4.794 0.094 18 0 "[ . 1 . 2]" 1
895 1 50 SER HB3 1 54 ILE MD . . 4.120 2.041 1.950 2.323 . 0 0 "[ . 1 . 2]" 1
896 1 50 SER HB3 1 54 ILE HG13 . . 5.290 3.023 2.740 3.249 . 0 0 "[ . 1 . 2]" 1
897 1 51 TRP H 1 51 TRP HB2 . . 4.150 2.474 2.440 2.522 . 0 0 "[ . 1 . 2]" 1
898 1 51 TRP H 1 51 TRP HD1 . . 3.810 3.194 2.903 3.289 . 0 0 "[ . 1 . 2]" 1
899 1 51 TRP H 1 51 TRP HE1 . . 5.500 4.835 4.711 4.905 . 0 0 "[ . 1 . 2]" 1
900 1 51 TRP H 1 52 ASP H . . 3.920 2.520 2.460 2.575 . 0 0 "[ . 1 . 2]" 1
901 1 51 TRP H 1 54 ILE MD . . 5.500 3.990 3.852 4.110 . 0 0 "[ . 1 . 2]" 1
902 1 51 TRP H 1 74 TRP HH2 . . 5.390 5.478 5.353 5.512 0.122 19 0 "[ . 1 . 2]" 1
903 1 51 TRP H 1 78 LEU QD . . 5.500 4.694 4.461 4.991 . 0 0 "[ . 1 . 2]" 1
904 1 51 TRP HA 1 51 TRP HD1 . . 3.060 2.214 2.185 2.261 . 0 0 "[ . 1 . 2]" 1
905 1 51 TRP HA 1 54 ILE H . . 5.210 3.399 3.333 3.519 . 0 0 "[ . 1 . 2]" 1
906 1 51 TRP HA 1 54 ILE HB . . 3.640 2.174 2.122 2.307 . 0 0 "[ . 1 . 2]" 1
907 1 51 TRP HA 1 54 ILE MD . . 3.860 2.871 2.603 3.076 . 0 0 "[ . 1 . 2]" 1
908 1 51 TRP HA 1 54 ILE HG13 . . 4.920 3.955 3.766 4.227 . 0 0 "[ . 1 . 2]" 1
909 1 51 TRP HA 1 54 ILE MG . . 4.730 3.440 3.335 3.587 . 0 0 "[ . 1 . 2]" 1
910 1 51 TRP HA 1 74 TRP HH2 . . 4.000 3.747 3.668 3.835 . 0 0 "[ . 1 . 2]" 1
911 1 51 TRP HA 1 74 TRP HZ2 . . 3.420 2.333 2.195 2.434 . 0 0 "[ . 1 . 2]" 1
912 1 51 TRP HA 1 78 LEU QD . . 4.550 3.666 3.259 4.137 . 0 0 "[ . 1 . 2]" 1
913 1 51 TRP HB2 1 51 TRP HE3 . . 3.670 2.670 2.584 2.804 . 0 0 "[ . 1 . 2]" 1
914 1 51 TRP HB2 1 52 ASP H . . 3.810 3.025 2.856 3.127 . 0 0 "[ . 1 . 2]" 1
915 1 51 TRP HB2 1 54 ILE H . . 5.500 5.566 5.503 5.816 0.316 6 0 "[ . 1 . 2]" 1
916 1 51 TRP HB2 1 55 THR H . . 5.170 5.252 5.190 5.484 0.314 6 0 "[ . 1 . 2]" 1
917 1 51 TRP HB2 1 74 TRP HZ2 . . 4.260 4.136 3.869 4.337 0.077 13 0 "[ . 1 . 2]" 1
918 1 51 TRP HB2 1 78 LEU QD . . 4.020 3.290 2.878 3.744 . 0 0 "[ . 1 . 2]" 1
919 1 51 TRP HB3 1 54 ILE MD . . 5.500 4.860 4.651 5.151 . 0 0 "[ . 1 . 2]" 1
920 1 51 TRP HB3 1 74 TRP HZ2 . . 4.030 2.658 2.314 2.913 . 0 0 "[ . 1 . 2]" 1
921 1 51 TRP HB3 1 78 LEU QD . . 3.800 2.254 1.886 2.904 . 0 0 "[ . 1 . 2]" 1
922 1 51 TRP HD1 1 52 ASP H . . 5.500 5.015 4.883 5.085 . 0 0 "[ . 1 . 2]" 1
923 1 51 TRP HD1 1 54 ILE HB . . 4.710 3.597 3.531 3.753 . 0 0 "[ . 1 . 2]" 1
924 1 51 TRP HD1 1 54 ILE MD . . 4.070 2.650 2.364 2.868 . 0 0 "[ . 1 . 2]" 1
925 1 51 TRP HD1 1 74 TRP HE1 . . 5.500 5.516 5.443 5.539 0.039 18 0 "[ . 1 . 2]" 1
926 1 51 TRP HD1 1 74 TRP HH2 . . 4.070 2.366 2.220 2.525 . 0 0 "[ . 1 . 2]" 1
927 1 51 TRP HD1 1 74 TRP HZ2 . . 4.170 2.755 2.655 2.812 . 0 0 "[ . 1 . 2]" 1
928 1 51 TRP HD1 1 74 TRP HZ3 . . 4.840 4.758 4.632 4.904 0.064 18 0 "[ . 1 . 2]" 1
929 1 51 TRP HD1 1 78 LEU QD . . 5.000 3.596 3.256 3.971 . 0 0 "[ . 1 . 2]" 1
930 1 51 TRP HE1 1 74 TRP HH2 . . 4.410 2.845 2.696 3.117 . 0 0 "[ . 1 . 2]" 1
931 1 51 TRP HE1 1 78 LEU QD . . 5.470 3.698 3.128 4.306 . 0 0 "[ . 1 . 2]" 1
932 1 51 TRP HE1 1 81 LEU HB2 . . 5.470 5.436 5.044 5.554 0.084 16 0 "[ . 1 . 2]" 1
933 1 51 TRP HE1 1 81 LEU QD . . 4.040 3.572 3.204 3.962 . 0 0 "[ . 1 . 2]" 1
934 1 51 TRP HE3 1 52 ASP H . . 5.500 5.566 5.505 5.614 0.114 7 0 "[ . 1 . 2]" 1
935 1 51 TRP HE3 1 78 LEU QD . . 3.900 2.690 2.243 3.294 . 0 0 "[ . 1 . 2]" 1
936 1 51 TRP HE3 1 82 LYS QD . . 5.030 3.857 3.101 4.801 . 0 0 "[ . 1 . 2]" 1
937 1 51 TRP HE3 1 82 LYS HE2 . . 4.290 2.467 1.996 3.337 . 0 0 "[ . 1 . 2]" 1
938 1 51 TRP HE3 1 82 LYS HE3 . . 4.630 2.637 2.000 3.573 . 0 0 "[ . 1 . 2]" 1
939 1 51 TRP HE3 1 82 LYS QG . . 4.670 3.291 2.315 4.319 . 0 0 "[ . 1 . 2]" 1
940 1 51 TRP HH2 1 81 LEU HB3 . . 4.640 2.662 1.996 3.759 . 0 0 "[ . 1 . 2]" 1
941 1 51 TRP HH2 1 81 LEU QD . . 5.500 3.626 3.002 4.310 . 0 0 "[ . 1 . 2]" 1
942 1 51 TRP HH2 1 82 LYS HA . . 3.920 3.403 2.814 3.927 0.007 2 0 "[ . 1 . 2]" 1
943 1 51 TRP HH2 1 82 LYS QG . . 4.710 4.317 3.315 4.748 0.038 16 0 "[ . 1 . 2]" 1
944 1 51 TRP HH2 1 85 ARG QB . . 4.980 4.276 3.712 5.024 0.044 18 0 "[ . 1 . 2]" 1
945 1 51 TRP HH2 1 85 ARG QD . . 4.710 2.310 1.933 2.718 . 0 0 "[ . 1 . 2]" 1
946 1 51 TRP HH2 1 85 ARG QG . . 5.020 3.940 2.810 4.602 . 0 0 "[ . 1 . 2]" 1
947 1 51 TRP HZ2 1 81 LEU HB3 . . 3.790 3.028 2.576 3.570 . 0 0 "[ . 1 . 2]" 1
948 1 51 TRP HZ2 1 81 LEU QD . . 4.270 2.673 2.035 3.329 . 0 0 "[ . 1 . 2]" 1
949 1 51 TRP HZ2 1 85 ARG QD . . 4.500 4.162 3.557 4.386 . 0 0 "[ . 1 . 2]" 1
950 1 51 TRP HZ3 1 78 LEU QD . . 5.030 3.291 2.957 3.899 . 0 0 "[ . 1 . 2]" 1
951 1 51 TRP HZ3 1 82 LYS HA . . 4.040 2.525 1.985 3.313 . 0 0 "[ . 1 . 2]" 1
952 1 51 TRP HZ3 1 82 LYS QD . . 4.220 4.019 2.297 4.255 0.035 10 0 "[ . 1 . 2]" 1
953 1 51 TRP HZ3 1 82 LYS HE2 . . 4.080 3.141 2.155 3.893 . 0 0 "[ . 1 . 2]" 1
954 1 51 TRP HZ3 1 82 LYS HE3 . . 4.780 3.963 2.921 4.533 . 0 0 "[ . 1 . 2]" 1
955 1 51 TRP HZ3 1 82 LYS QG . . 3.850 2.497 1.985 3.196 . 0 0 "[ . 1 . 2]" 1
956 1 51 TRP HZ3 1 85 ARG QD . . 4.660 3.041 2.164 3.854 . 0 0 "[ . 1 . 2]" 1
957 1 52 ASP H 1 52 ASP HB2 . . 3.590 2.118 2.107 2.142 . 0 0 "[ . 1 . 2]" 1
958 1 52 ASP H 1 52 ASP HB3 . . 3.870 3.428 3.413 3.457 . 0 0 "[ . 1 . 2]" 1
959 1 52 ASP H 1 53 PRO HD2 . . 3.440 2.067 1.991 2.169 . 0 0 "[ . 1 . 2]" 1
960 1 52 ASP H 1 53 PRO HG2 . . 5.500 4.289 4.207 4.400 . 0 0 "[ . 1 . 2]" 1
961 1 52 ASP H 1 54 ILE H . . 5.330 3.812 3.633 4.231 . 0 0 "[ . 1 . 2]" 1
962 1 52 ASP HA 1 55 THR H . . 4.030 3.909 3.842 4.036 0.006 18 0 "[ . 1 . 2]" 1
963 1 52 ASP HA 1 55 THR HB . . 3.310 3.358 3.335 3.377 0.067 16 0 "[ . 1 . 2]" 1
964 1 52 ASP HA 1 56 ALA H . . 4.270 4.245 4.109 4.283 0.013 17 0 "[ . 1 . 2]" 1
965 1 52 ASP HB2 1 53 PRO QD . . 3.150 1.994 1.966 2.093 . 0 0 "[ . 1 . 2]" 1
966 1 52 ASP HB3 1 53 PRO QD . . 3.410 2.251 2.186 2.441 . 0 0 "[ . 1 . 2]" 1
967 1 52 ASP HB3 1 56 ALA H . . 5.500 5.468 5.303 5.508 0.008 13 0 "[ . 1 . 2]" 1
968 1 53 PRO HA 1 56 ALA H . . 4.220 3.745 3.362 3.981 . 0 0 "[ . 1 . 2]" 1
969 1 53 PRO HA 1 56 ALA MB . . 3.150 2.920 2.766 3.089 . 0 0 "[ . 1 . 2]" 1
970 1 53 PRO HA 1 57 ALA H . . 4.500 4.097 3.842 4.429 . 0 0 "[ . 1 . 2]" 1
971 1 53 PRO HB2 1 57 ALA MB . . 4.610 4.261 3.948 4.618 0.008 18 0 "[ . 1 . 2]" 1
972 1 53 PRO HD2 1 54 ILE H . . 4.070 2.672 2.648 2.750 . 0 0 "[ . 1 . 2]" 1
973 1 53 PRO HG2 1 54 ILE H . . 5.500 2.501 2.004 2.847 . 0 0 "[ . 1 . 2]" 1
974 1 53 PRO HG2 1 54 ILE HG13 . . 3.580 2.663 2.572 2.795 . 0 0 "[ . 1 . 2]" 1
975 1 54 ILE H 1 54 ILE HB . . 3.190 2.388 2.326 2.474 . 0 0 "[ . 1 . 2]" 1
976 1 54 ILE H 1 54 ILE MD . . 3.700 3.612 3.469 3.711 0.011 13 0 "[ . 1 . 2]" 1
977 1 54 ILE H 1 54 ILE HG13 . . 3.420 2.509 2.205 2.805 . 0 0 "[ . 1 . 2]" 1
978 1 54 ILE H 1 54 ILE MG . . 4.320 3.731 3.698 3.754 . 0 0 "[ . 1 . 2]" 1
979 1 54 ILE H 1 55 THR H . . 3.280 2.508 2.356 2.723 . 0 0 "[ . 1 . 2]" 1
980 1 54 ILE H 1 55 THR HB . . 5.050 4.683 4.475 4.959 . 0 0 "[ . 1 . 2]" 1
981 1 54 ILE H 1 56 ALA H . . 4.610 3.995 3.714 4.598 . 0 0 "[ . 1 . 2]" 1
982 1 54 ILE H 1 57 ALA H . . 5.410 4.569 4.336 4.732 . 0 0 "[ . 1 . 2]" 1
983 1 54 ILE H 1 57 ALA MB . . 5.500 4.508 4.366 4.793 . 0 0 "[ . 1 . 2]" 1
984 1 54 ILE HA 1 54 ILE HG12 . . 3.110 2.540 2.462 2.595 . 0 0 "[ . 1 . 2]" 1
985 1 54 ILE HA 1 54 ILE HG13 . . 3.530 2.778 2.709 2.826 . 0 0 "[ . 1 . 2]" 1
986 1 54 ILE HA 1 54 ILE MG . . 3.370 2.439 2.389 2.512 . 0 0 "[ . 1 . 2]" 1
987 1 54 ILE HA 1 56 ALA H . . 5.500 4.538 4.367 5.041 . 0 0 "[ . 1 . 2]" 1
988 1 54 ILE HA 1 57 ALA H . . 3.990 3.541 3.443 3.787 . 0 0 "[ . 1 . 2]" 1
989 1 54 ILE HA 1 57 ALA MB . . 3.530 2.559 2.361 2.880 . 0 0 "[ . 1 . 2]" 1
990 1 54 ILE HA 1 58 LEU H . . 5.050 4.001 3.710 4.222 . 0 0 "[ . 1 . 2]" 1
991 1 54 ILE HA 1 58 LEU QD . . 4.990 3.998 3.744 4.356 . 0 0 "[ . 1 . 2]" 1
992 1 54 ILE HB 1 54 ILE MD . . 3.310 2.350 2.218 2.411 . 0 0 "[ . 1 . 2]" 1
993 1 54 ILE HB 1 55 THR H . . 3.370 2.643 2.473 2.845 . 0 0 "[ . 1 . 2]" 1
994 1 54 ILE HB 1 56 ALA H . . 5.500 5.063 4.936 5.441 . 0 0 "[ . 1 . 2]" 1
995 1 54 ILE HB 1 74 TRP HE1 . . 5.190 4.027 3.724 4.466 . 0 0 "[ . 1 . 2]" 1
996 1 54 ILE HB 1 74 TRP HH2 . . 4.650 4.378 4.193 4.688 0.038 18 0 "[ . 1 . 2]" 1
997 1 54 ILE HB 1 74 TRP HZ2 . . 3.900 2.985 2.791 3.333 . 0 0 "[ . 1 . 2]" 1
998 1 54 ILE MD 1 54 ILE MG . . 2.940 2.016 1.926 2.219 . 0 0 "[ . 1 . 2]" 1
999 1 54 ILE MD 1 55 THR H . . 4.580 4.575 4.474 4.652 0.072 10 0 "[ . 1 . 2]" 1
1000 1 54 ILE MD 1 74 TRP HH2 . . 4.190 3.291 3.074 3.631 . 0 0 "[ . 1 . 2]" 1
1001 1 54 ILE MD 1 74 TRP HZ2 . . 4.470 3.507 3.231 3.787 . 0 0 "[ . 1 . 2]" 1
1002 1 54 ILE MD 1 74 TRP HZ3 . . 4.690 4.559 4.234 4.712 0.022 16 0 "[ . 1 . 2]" 1
1003 1 54 ILE MG 1 55 THR H . . 4.250 3.231 2.855 3.451 . 0 0 "[ . 1 . 2]" 1
1004 1 54 ILE MG 1 55 THR HA . . 4.210 3.271 2.981 3.420 . 0 0 "[ . 1 . 2]" 1
1005 1 54 ILE MG 1 56 ALA H . . 5.500 4.941 4.696 5.318 . 0 0 "[ . 1 . 2]" 1
1006 1 54 ILE MG 1 57 ALA H . . 5.500 4.610 4.423 4.853 . 0 0 "[ . 1 . 2]" 1
1007 1 54 ILE MG 1 57 ALA MB . . 4.870 3.720 3.561 4.059 . 0 0 "[ . 1 . 2]" 1
1008 1 54 ILE MG 1 58 LEU H . . 5.140 3.922 3.676 4.259 . 0 0 "[ . 1 . 2]" 1
1009 1 54 ILE MG 1 58 LEU HB3 . . 5.070 4.980 4.645 5.103 0.033 10 0 "[ . 1 . 2]" 1
1010 1 54 ILE MG 1 58 LEU QD . . 3.510 2.101 1.829 2.435 . 0 0 "[ . 1 . 2]" 1
1011 1 54 ILE MG 1 58 LEU HG . . 3.980 2.854 2.480 3.153 . 0 0 "[ . 1 . 2]" 1
1012 1 54 ILE MG 1 74 TRP QB . . 4.890 4.230 3.946 4.455 . 0 0 "[ . 1 . 2]" 1
1013 1 54 ILE MG 1 74 TRP HE1 . . 4.600 2.922 2.721 3.165 . 0 0 "[ . 1 . 2]" 1
1014 1 54 ILE MG 1 74 TRP HE3 . . 4.930 4.300 4.059 4.513 . 0 0 "[ . 1 . 2]" 1
1015 1 54 ILE MG 1 74 TRP HH2 . . 4.300 3.507 3.198 3.846 . 0 0 "[ . 1 . 2]" 1
1016 1 54 ILE MG 1 74 TRP HZ2 . . 4.430 2.771 2.619 3.106 . 0 0 "[ . 1 . 2]" 1
1017 1 54 ILE MG 1 74 TRP HZ3 . . 5.020 4.152 3.750 4.449 . 0 0 "[ . 1 . 2]" 1
1018 1 55 THR H 1 55 THR HB . . 3.140 2.483 2.459 2.542 . 0 0 "[ . 1 . 2]" 1
1019 1 55 THR H 1 55 THR MG . . 4.310 3.763 3.759 3.778 . 0 0 "[ . 1 . 2]" 1
1020 1 55 THR H 1 56 ALA H . . 3.380 2.614 2.363 2.781 . 0 0 "[ . 1 . 2]" 1
1021 1 55 THR H 1 56 ALA MB . . 4.680 4.260 4.050 4.438 . 0 0 "[ . 1 . 2]" 1
1022 1 55 THR H 1 57 ALA H . . 4.870 3.909 3.707 4.110 . 0 0 "[ . 1 . 2]" 1
1023 1 55 THR H 1 74 TRP HE1 . . 4.030 3.308 3.134 3.529 . 0 0 "[ . 1 . 2]" 1
1024 1 55 THR HA 1 55 THR MG . . 3.000 2.360 2.334 2.405 . 0 0 "[ . 1 . 2]" 1
1025 1 55 THR HA 1 56 ALA MB . . 5.040 5.020 4.999 5.042 0.002 6 0 "[ . 1 . 2]" 1
1026 1 55 THR HA 1 57 ALA H . . 5.500 4.203 3.985 4.466 . 0 0 "[ . 1 . 2]" 1
1027 1 55 THR HA 1 58 LEU H . . 4.630 3.749 3.572 3.946 . 0 0 "[ . 1 . 2]" 1
1028 1 55 THR HA 1 58 LEU HB2 . . 4.040 3.226 2.918 3.351 . 0 0 "[ . 1 . 2]" 1
1029 1 55 THR HA 1 58 LEU HB3 . . 5.010 4.915 4.578 5.021 0.011 17 0 "[ . 1 . 2]" 1
1030 1 55 THR HA 1 58 LEU QD . . 4.640 3.029 2.534 3.362 . 0 0 "[ . 1 . 2]" 1
1031 1 55 THR HA 1 59 SER H . . 4.670 4.113 3.612 4.502 . 0 0 "[ . 1 . 2]" 1
1032 1 55 THR HA 1 71 LEU QD . . 4.120 3.992 3.676 4.089 . 0 0 "[ . 1 . 2]" 1
1033 1 55 THR HA 1 74 TRP HD1 . . 3.450 2.775 2.479 2.971 . 0 0 "[ . 1 . 2]" 1
1034 1 55 THR HA 1 74 TRP HE1 . . 3.400 2.080 1.947 2.356 . 0 0 "[ . 1 . 2]" 1
1035 1 55 THR HB 1 56 ALA H . . 3.200 2.630 2.285 2.804 . 0 0 "[ . 1 . 2]" 1
1036 1 55 THR HB 1 56 ALA HA . . 4.520 4.338 4.275 4.377 . 0 0 "[ . 1 . 2]" 1
1037 1 55 THR HB 1 56 ALA MB . . 4.570 3.918 3.740 4.000 . 0 0 "[ . 1 . 2]" 1
1038 1 55 THR HB 1 57 ALA H . . 5.170 4.876 4.619 5.063 . 0 0 "[ . 1 . 2]" 1
1039 1 55 THR HB 1 74 TRP HE1 . . 4.520 3.562 3.477 3.722 . 0 0 "[ . 1 . 2]" 1
1040 1 55 THR MG 1 56 ALA H . . 4.190 3.418 3.113 3.593 . 0 0 "[ . 1 . 2]" 1
1041 1 55 THR MG 1 56 ALA HA . . 3.790 3.472 3.339 3.599 . 0 0 "[ . 1 . 2]" 1
1042 1 55 THR MG 1 56 ALA MB . . 4.150 3.954 3.790 4.102 . 0 0 "[ . 1 . 2]" 1
1043 1 55 THR MG 1 57 ALA H . . 5.500 4.860 4.658 5.037 . 0 0 "[ . 1 . 2]" 1
1044 1 55 THR MG 1 59 SER HB3 . . 4.790 4.066 3.691 4.634 . 0 0 "[ . 1 . 2]" 1
1045 1 55 THR MG 1 71 LEU QD . . 4.410 3.629 3.391 3.866 . 0 0 "[ . 1 . 2]" 1
1046 1 55 THR MG 1 74 TRP HD1 . . 4.070 3.141 2.888 3.438 . 0 0 "[ . 1 . 2]" 1
1047 1 55 THR MG 1 74 TRP HE1 . . 4.210 2.954 2.786 3.116 . 0 0 "[ . 1 . 2]" 1
1048 1 56 ALA H 1 56 ALA MB . . 3.050 2.147 2.040 2.268 . 0 0 "[ . 1 . 2]" 1
1049 1 56 ALA H 1 57 ALA H . . 3.420 2.525 2.408 2.682 . 0 0 "[ . 1 . 2]" 1
1050 1 56 ALA H 1 58 LEU H . . 5.500 4.414 4.220 4.721 . 0 0 "[ . 1 . 2]" 1
1051 1 56 ALA H 1 59 SER HB3 . . 5.360 5.058 4.715 5.583 0.223 19 0 "[ . 1 . 2]" 1
1052 1 56 ALA H 1 74 TRP HE1 . . 5.450 5.018 4.903 5.228 . 0 0 "[ . 1 . 2]" 1
1053 1 56 ALA MB 1 59 SER HB2 . . 5.500 5.200 4.775 5.501 0.001 10 0 "[ . 1 . 2]" 1
1054 1 57 ALA H 1 57 ALA MB . . 2.870 2.167 2.065 2.252 . 0 0 "[ . 1 . 2]" 1
1055 1 57 ALA H 1 58 LEU H . . 3.460 2.651 2.477 2.800 . 0 0 "[ . 1 . 2]" 1
1056 1 57 ALA H 1 58 LEU HG . . 4.540 4.549 4.537 4.565 0.025 10 0 "[ . 1 . 2]" 1
1057 1 57 ALA H 1 60 GLN QB . . 5.500 4.927 4.724 5.170 . 0 0 "[ . 1 . 2]" 1
1058 1 57 ALA HA 1 60 GLN QB . . 3.490 2.875 2.599 3.069 . 0 0 "[ . 1 . 2]" 1
1059 1 57 ALA HA 1 60 GLN QG . . 4.670 4.421 4.160 4.515 . 0 0 "[ . 1 . 2]" 1
1060 1 57 ALA MB 1 58 LEU H . . 3.690 2.419 2.189 2.618 . 0 0 "[ . 1 . 2]" 1
1061 1 57 ALA MB 1 58 LEU QD . . 4.460 3.571 3.303 3.755 . 0 0 "[ . 1 . 2]" 1
1062 1 57 ALA MB 1 60 GLN H . . 4.640 4.556 4.391 4.654 0.014 10 0 "[ . 1 . 2]" 1
1063 1 57 ALA MB 1 60 GLN QB . . 4.360 4.172 3.893 4.364 0.004 20 0 "[ . 1 . 2]" 1
1064 1 58 LEU H 1 58 LEU HB2 . . 3.390 2.463 2.341 2.528 . 0 0 "[ . 1 . 2]" 1
1065 1 58 LEU H 1 58 LEU HB3 . . 3.800 3.583 3.563 3.595 . 0 0 "[ . 1 . 2]" 1
1066 1 58 LEU H 1 58 LEU QD . . 4.220 3.074 2.926 3.248 . 0 0 "[ . 1 . 2]" 1
1067 1 58 LEU H 1 58 LEU HG . . 3.330 2.304 2.160 2.522 . 0 0 "[ . 1 . 2]" 1
1068 1 58 LEU H 1 59 SER H . . 3.420 2.667 2.475 2.826 . 0 0 "[ . 1 . 2]" 1
1069 1 58 LEU H 1 59 SER HA . . 5.390 5.268 5.121 5.395 0.005 18 0 "[ . 1 . 2]" 1
1070 1 58 LEU H 1 60 GLN H . . 5.040 4.099 3.909 4.477 . 0 0 "[ . 1 . 2]" 1
1071 1 58 LEU H 1 61 ARG H . . 5.500 4.766 4.544 5.070 . 0 0 "[ . 1 . 2]" 1
1072 1 58 LEU H 1 61 ARG HB2 . . 5.410 5.122 4.818 5.422 0.012 18 0 "[ . 1 . 2]" 1
1073 1 58 LEU H 1 71 LEU QD . . 5.270 4.118 3.842 4.359 . 0 0 "[ . 1 . 2]" 1
1074 1 58 LEU HA 1 58 LEU QD . . 3.010 2.202 1.941 2.519 . 0 0 "[ . 1 . 2]" 1
1075 1 58 LEU HA 1 58 LEU HG . . 3.910 2.943 2.778 3.148 . 0 0 "[ . 1 . 2]" 1
1076 1 58 LEU HA 1 61 ARG HB2 . . 3.560 2.980 2.658 3.265 . 0 0 "[ . 1 . 2]" 1
1077 1 58 LEU HA 1 61 ARG HB3 . . 3.630 3.065 2.526 3.647 0.017 18 0 "[ . 1 . 2]" 1
1078 1 58 LEU HA 1 61 ARG QD . . 4.250 3.593 3.172 3.919 . 0 0 "[ . 1 . 2]" 1
1079 1 58 LEU HA 1 71 LEU QD . . 4.330 3.661 3.539 3.875 . 0 0 "[ . 1 . 2]" 1
1080 1 58 LEU HB2 1 59 SER H . . 3.810 2.695 2.344 2.946 . 0 0 "[ . 1 . 2]" 1
1081 1 58 LEU HB3 1 59 SER H . . 4.150 3.683 3.350 3.929 . 0 0 "[ . 1 . 2]" 1
1082 1 58 LEU HB3 1 61 ARG H . . 5.500 5.288 4.798 5.505 0.005 17 0 "[ . 1 . 2]" 1
1083 1 58 LEU HB3 1 62 ALA H . . 5.500 5.174 4.823 5.514 0.014 14 0 "[ . 1 . 2]" 1
1084 1 58 LEU HB3 1 71 LEU H . . 4.700 4.336 3.822 4.632 . 0 0 "[ . 1 . 2]" 1
1085 1 58 LEU HB3 1 71 LEU HA . . 4.080 3.030 2.488 3.548 . 0 0 "[ . 1 . 2]" 1
1086 1 58 LEU QD 1 61 ARG H . . 5.490 4.879 4.589 5.163 . 0 0 "[ . 1 . 2]" 1
1087 1 58 LEU QD 1 61 ARG QD . . 3.980 3.194 2.743 3.620 . 0 0 "[ . 1 . 2]" 1
1088 1 58 LEU QD 1 70 GLU HA . . 5.140 4.687 4.121 4.928 . 0 0 "[ . 1 . 2]" 1
1089 1 58 LEU QD 1 70 GLU HB2 . . 4.340 3.238 2.942 3.980 . 0 0 "[ . 1 . 2]" 1
1090 1 58 LEU QD 1 70 GLU HB3 . . 4.230 3.082 1.926 3.923 . 0 0 "[ . 1 . 2]" 1
1091 1 58 LEU QD 1 71 LEU H . . 5.500 3.885 3.109 4.209 . 0 0 "[ . 1 . 2]" 1
1092 1 58 LEU QD 1 71 LEU HA . . 3.660 2.949 2.387 3.438 . 0 0 "[ . 1 . 2]" 1
1093 1 58 LEU QD 1 71 LEU QD . . 3.680 2.691 2.197 2.979 . 0 0 "[ . 1 . 2]" 1
1094 1 58 LEU QD 1 74 TRP H . . 4.890 3.994 3.740 4.361 . 0 0 "[ . 1 . 2]" 1
1095 1 58 LEU QD 1 74 TRP HA . . 4.760 4.066 3.898 4.359 . 0 0 "[ . 1 . 2]" 1
1096 1 58 LEU QD 1 74 TRP QB . . 3.410 2.111 1.963 2.421 . 0 0 "[ . 1 . 2]" 1
1097 1 58 LEU QD 1 74 TRP HD1 . . 4.070 2.570 2.369 2.786 . 0 0 "[ . 1 . 2]" 1
1098 1 58 LEU HG 1 59 SER H . . 4.470 4.421 4.277 4.492 0.022 10 0 "[ . 1 . 2]" 1
1099 1 59 SER H 1 59 SER HB2 . . 3.150 2.701 2.302 3.041 . 0 0 "[ . 1 . 2]" 1
1100 1 59 SER H 1 59 SER HB3 . . 3.520 2.421 2.151 2.826 . 0 0 "[ . 1 . 2]" 1
1101 1 59 SER H 1 60 GLN H . . 3.290 2.598 2.418 2.761 . 0 0 "[ . 1 . 2]" 1
1102 1 59 SER H 1 60 GLN QB . . 4.540 4.360 4.192 4.541 0.001 5 0 "[ . 1 . 2]" 1
1103 1 59 SER H 1 61 ARG H . . 4.960 4.125 3.908 4.388 . 0 0 "[ . 1 . 2]" 1
1104 1 59 SER H 1 61 ARG HB2 . . 5.500 5.476 5.302 5.532 0.032 14 0 "[ . 1 . 2]" 1
1105 1 59 SER H 1 62 ALA H . . 5.500 5.116 4.989 5.305 . 0 0 "[ . 1 . 2]" 1
1106 1 59 SER H 1 71 LEU QD . . 4.440 2.918 2.686 3.301 . 0 0 "[ . 1 . 2]" 1
1107 1 59 SER HA 1 59 SER HB2 . . 3.000 2.408 2.276 2.628 . 0 0 "[ . 1 . 2]" 1
1108 1 59 SER HA 1 61 ARG H . . 5.360 4.514 3.871 4.803 . 0 0 "[ . 1 . 2]" 1
1109 1 59 SER HA 1 62 ALA MB . . 3.390 3.321 3.005 3.420 0.030 16 0 "[ . 1 . 2]" 1
1110 1 59 SER HA 1 71 LEU QD . . 3.230 1.823 1.727 2.020 . 0 0 "[ . 1 . 2]" 1
1111 1 59 SER HB2 1 71 LEU QD . . 4.160 2.731 2.297 3.102 . 0 0 "[ . 1 . 2]" 1
1112 1 59 SER HB3 1 60 GLN H . . 3.820 2.907 2.611 3.169 . 0 0 "[ . 1 . 2]" 1
1113 1 59 SER HB3 1 71 LEU QD . . 4.600 3.699 3.404 4.056 . 0 0 "[ . 1 . 2]" 1
1114 1 60 GLN H 1 60 GLN QB . . 2.890 2.211 2.060 2.257 . 0 0 "[ . 1 . 2]" 1
1115 1 60 GLN H 1 60 GLN QG . . 3.880 3.876 3.501 3.998 0.118 10 0 "[ . 1 . 2]" 1
1116 1 60 GLN HA 1 60 GLN QB . . 2.680 2.331 2.287 2.538 . 0 0 "[ . 1 . 2]" 1
1117 1 60 GLN HA 1 60 GLN HE21 . . 5.190 3.962 2.819 5.154 . 0 0 "[ . 1 . 2]" 1
1118 1 60 GLN HA 1 60 GLN QG . . 3.270 2.551 2.196 3.102 . 0 0 "[ . 1 . 2]" 1
1119 1 60 GLN HA 1 63 MET QB . . 3.430 2.849 2.235 3.428 . 0 0 "[ . 1 . 2]" 1
1120 1 60 GLN HA 1 63 MET ME . . 4.650 3.116 1.972 4.189 . 0 0 "[ . 1 . 2]" 1
1121 1 60 GLN HA 1 63 MET HG2 . . 5.110 4.696 3.890 5.111 0.001 20 0 "[ . 1 . 2]" 1
1122 1 60 GLN HA 1 63 MET HG3 . . 4.880 3.263 2.176 4.016 . 0 0 "[ . 1 . 2]" 1
1123 1 60 GLN HA 1 64 ILE MD . . 4.810 4.425 3.456 4.806 . 0 0 "[ . 1 . 2]" 1
1124 1 60 GLN QB 1 61 ARG H . . 3.390 2.694 2.501 3.068 . 0 0 "[ . 1 . 2]" 1
1125 1 60 GLN QB 1 64 ILE MD . . 4.180 3.846 2.020 4.238 0.058 3 0 "[ . 1 . 2]" 1
1126 1 60 GLN HE21 1 64 ILE MD . . 5.500 3.597 2.664 4.804 . 0 0 "[ . 1 . 2]" 1
1127 1 60 GLN HE21 1 64 ILE HG13 . . 5.500 4.431 3.125 5.464 . 0 0 "[ . 1 . 2]" 1
1128 1 60 GLN HE22 1 64 ILE MD . . 5.500 3.989 3.203 4.881 . 0 0 "[ . 1 . 2]" 1
1129 1 60 GLN QG 1 61 ARG H . . 5.050 3.597 3.277 4.576 . 0 0 "[ . 1 . 2]" 1
1130 1 60 GLN QG 1 63 MET H . . 5.120 4.293 3.954 5.028 . 0 0 "[ . 1 . 2]" 1
1131 1 60 GLN QG 1 63 MET ME . . 5.060 3.859 3.052 4.392 . 0 0 "[ . 1 . 2]" 1
1132 1 60 GLN QG 1 64 ILE H . . 5.500 3.579 3.140 4.362 . 0 0 "[ . 1 . 2]" 1
1133 1 60 GLN QG 1 64 ILE MD . . 4.100 2.236 1.862 3.125 . 0 0 "[ . 1 . 2]" 1
1134 1 60 GLN QG 1 64 ILE HG12 . . 5.110 2.740 1.892 3.685 . 0 0 "[ . 1 . 2]" 1
1135 1 60 GLN QG 1 64 ILE HG13 . . 4.950 2.518 1.989 2.962 . 0 0 "[ . 1 . 2]" 1
1136 1 60 GLN QG 1 64 ILE MG . . 4.840 4.317 3.930 4.726 . 0 0 "[ . 1 . 2]" 1
1137 1 61 ARG H 1 61 ARG HB2 . . 3.130 2.303 2.112 2.503 . 0 0 "[ . 1 . 2]" 1
1138 1 61 ARG H 1 61 ARG QD . . 4.980 4.377 4.132 4.470 . 0 0 "[ . 1 . 2]" 1
1139 1 61 ARG H 1 62 ALA MB . . 4.890 4.408 4.129 4.577 . 0 0 "[ . 1 . 2]" 1
1140 1 61 ARG H 1 64 ILE H . . 5.500 4.693 4.540 4.849 . 0 0 "[ . 1 . 2]" 1
1141 1 61 ARG H 1 64 ILE HG13 . . 5.390 5.081 4.696 5.464 0.074 18 0 "[ . 1 . 2]" 1
1142 1 61 ARG HA 1 61 ARG QD . . 4.450 3.975 3.415 4.061 . 0 0 "[ . 1 . 2]" 1
1143 1 61 ARG HA 1 61 ARG QG . . 3.190 2.361 2.183 2.490 . 0 0 "[ . 1 . 2]" 1
1144 1 61 ARG HA 1 64 ILE HB . . 3.880 2.717 2.248 2.923 . 0 0 "[ . 1 . 2]" 1
1145 1 61 ARG HA 1 64 ILE HG12 . . 5.180 4.061 2.605 5.202 0.022 10 0 "[ . 1 . 2]" 1
1146 1 61 ARG HA 1 64 ILE HG13 . . 4.440 3.676 3.148 4.446 0.006 14 0 "[ . 1 . 2]" 1
1147 1 61 ARG HA 1 64 ILE MG . . 4.220 4.136 3.770 4.261 0.041 5 0 "[ . 1 . 2]" 1
1148 1 61 ARG HA 1 65 LEU QD . . 4.150 3.761 2.887 4.113 . 0 0 "[ . 1 . 2]" 1
1149 1 61 ARG HB2 1 61 ARG QD . . 3.640 2.482 2.087 2.694 . 0 0 "[ . 1 . 2]" 1
1150 1 61 ARG HB3 1 61 ARG QD . . 3.670 2.319 2.183 2.884 . 0 0 "[ . 1 . 2]" 1
1151 1 61 ARG HB3 1 61 ARG QG . . 2.780 2.379 2.158 2.479 . 0 0 "[ . 1 . 2]" 1
1152 1 61 ARG HB3 1 62 ALA HA . . 4.840 4.023 3.840 4.218 . 0 0 "[ . 1 . 2]" 1
1153 1 61 ARG QD 1 62 ALA H . . 5.500 4.411 4.176 4.932 . 0 0 "[ . 1 . 2]" 1
1154 1 61 ARG QD 1 65 LEU QD . . 5.310 4.197 3.082 4.743 . 0 0 "[ . 1 . 2]" 1
1155 1 61 ARG QG 1 62 ALA H . . 4.070 3.903 3.461 4.086 0.016 7 0 "[ . 1 . 2]" 1
1156 1 62 ALA H 1 62 ALA MB . . 3.200 2.167 2.029 2.237 . 0 0 "[ . 1 . 2]" 1
1157 1 62 ALA H 1 63 MET HG3 . . 5.500 4.772 4.149 5.390 . 0 0 "[ . 1 . 2]" 1
1158 1 62 ALA H 1 64 ILE H . . 5.470 4.355 4.100 4.696 . 0 0 "[ . 1 . 2]" 1
1159 1 62 ALA H 1 67 LYS QG . . 4.940 4.913 4.672 4.989 0.049 5 0 "[ . 1 . 2]" 1
1160 1 62 ALA H 1 68 SER HA . . 4.940 4.520 3.848 4.940 0.000 9 0 "[ . 1 . 2]" 1
1161 1 62 ALA H 1 71 LEU QD . . 4.840 3.023 2.503 3.487 . 0 0 "[ . 1 . 2]" 1
1162 1 62 ALA HA 1 64 ILE H . . 5.330 4.776 4.044 5.380 0.050 14 0 "[ . 1 . 2]" 1
1163 1 62 ALA HA 1 65 LEU H . . 4.350 4.078 3.584 4.364 0.014 14 0 "[ . 1 . 2]" 1
1164 1 62 ALA HA 1 67 LYS H . . 3.590 2.502 1.952 3.595 0.005 11 0 "[ . 1 . 2]" 1
1165 1 62 ALA HA 1 67 LYS HB3 . . 5.240 5.186 4.735 5.352 0.112 4 0 "[ . 1 . 2]" 1
1166 1 62 ALA HA 1 68 SER HA . . 3.680 3.494 2.934 3.701 0.021 19 0 "[ . 1 . 2]" 1
1167 1 62 ALA HA 1 71 LEU QD . . 4.630 4.052 3.610 4.521 . 0 0 "[ . 1 . 2]" 1
1168 1 62 ALA MB 1 63 MET H . . 3.500 2.970 2.820 3.211 . 0 0 "[ . 1 . 2]" 1
1169 1 62 ALA MB 1 63 MET HG3 . . 5.500 3.719 3.109 4.245 . 0 0 "[ . 1 . 2]" 1
1170 1 62 ALA MB 1 64 ILE H . . 5.320 4.810 4.532 5.108 . 0 0 "[ . 1 . 2]" 1
1171 1 62 ALA MB 1 67 LYS HA . . 5.170 4.725 3.802 5.206 0.036 16 0 "[ . 1 . 2]" 1
1172 1 62 ALA MB 1 68 SER HA . . 3.220 2.086 1.883 3.000 . 0 0 "[ . 1 . 2]" 1
1173 1 62 ALA MB 1 68 SER QB . . 3.630 2.495 1.903 3.164 . 0 0 "[ . 1 . 2]" 1
1174 1 62 ALA MB 1 71 LEU QD . . 3.160 1.902 1.766 2.277 . 0 0 "[ . 1 . 2]" 1
1175 1 63 MET H 1 63 MET HB2 . . 2.910 2.433 2.201 2.640 . 0 0 "[ . 1 . 2]" 1
1176 1 63 MET H 1 63 MET HG2 . . 4.100 3.422 2.681 4.100 . 0 0 "[ . 1 . 2]" 1
1177 1 63 MET H 1 63 MET HG3 . . 3.980 2.979 2.296 3.750 . 0 0 "[ . 1 . 2]" 1
1178 1 63 MET H 1 64 ILE H . . 3.320 2.321 2.059 2.575 . 0 0 "[ . 1 . 2]" 1
1179 1 63 MET H 1 64 ILE HB . . 4.690 4.480 4.268 4.689 . 0 0 "[ . 1 . 2]" 1
1180 1 63 MET H 1 71 LEU QD . . 5.470 4.500 4.133 5.078 . 0 0 "[ . 1 . 2]" 1
1181 1 63 MET HA 1 63 MET ME . . 4.580 4.349 3.973 4.550 . 0 0 "[ . 1 . 2]" 1
1182 1 63 MET HA 1 63 MET HG2 . . 3.790 2.410 2.089 2.753 . 0 0 "[ . 1 . 2]" 1
1183 1 63 MET HA 1 63 MET HG3 . . 3.910 3.339 2.653 3.775 . 0 0 "[ . 1 . 2]" 1
1184 1 63 MET HA 1 65 LEU H . . 4.880 4.434 3.911 4.894 0.014 7 0 "[ . 1 . 2]" 1
1185 1 63 MET HA 1 66 GLY H . . 4.590 4.102 3.578 4.587 . 0 0 "[ . 1 . 2]" 1
1186 1 63 MET QB 1 64 ILE MD . . 4.940 3.799 2.948 4.467 . 0 0 "[ . 1 . 2]" 1
1187 1 63 MET HB2 1 64 ILE H . . 3.500 2.614 2.133 3.257 . 0 0 "[ . 1 . 2]" 1
1188 1 63 MET ME 1 64 ILE MD . . 4.900 4.473 3.851 4.853 . 0 0 "[ . 1 . 2]" 1
1189 1 63 MET HG2 1 64 ILE H . . 5.400 4.764 4.280 5.130 . 0 0 "[ . 1 . 2]" 1
1190 1 63 MET HG3 1 64 ILE H . . 5.500 4.433 3.906 5.089 . 0 0 "[ . 1 . 2]" 1
1191 1 64 ILE H 1 64 ILE HB . . 3.230 2.573 2.468 2.698 . 0 0 "[ . 1 . 2]" 1
1192 1 64 ILE H 1 64 ILE HG12 . . 3.860 2.725 1.934 3.865 0.005 2 0 "[ . 1 . 2]" 1
1193 1 64 ILE H 1 64 ILE HG13 . . 3.740 2.965 1.951 3.602 . 0 0 "[ . 1 . 2]" 1
1194 1 64 ILE H 1 64 ILE MG . . 4.250 3.766 3.755 3.783 . 0 0 "[ . 1 . 2]" 1
1195 1 64 ILE H 1 65 LEU H . . 3.400 2.675 2.311 2.874 . 0 0 "[ . 1 . 2]" 1
1196 1 64 ILE H 1 65 LEU HA . . 5.500 5.281 4.975 5.437 . 0 0 "[ . 1 . 2]" 1
1197 1 64 ILE H 1 66 GLY H . . 4.700 4.244 3.256 4.724 0.024 11 0 "[ . 1 . 2]" 1
1198 1 64 ILE HA 1 64 ILE HG12 . . 3.530 2.869 2.505 3.262 . 0 0 "[ . 1 . 2]" 1
1199 1 64 ILE HA 1 64 ILE HG13 . . 3.730 3.355 2.750 3.740 0.010 14 0 "[ . 1 . 2]" 1
1200 1 64 ILE HA 1 64 ILE MG . . 3.070 2.345 2.283 2.419 . 0 0 "[ . 1 . 2]" 1
1201 1 64 ILE HB 1 64 ILE MD . . 3.480 2.845 2.322 3.230 . 0 0 "[ . 1 . 2]" 1
1202 1 64 ILE MD 1 64 ILE MG . . 3.300 2.020 1.884 2.228 . 0 0 "[ . 1 . 2]" 1
1203 1 64 ILE HG12 1 64 ILE MG . . 3.590 2.787 2.192 3.197 . 0 0 "[ . 1 . 2]" 1
1204 1 64 ILE HG12 1 65 LEU H . . 5.260 4.557 4.108 5.195 . 0 0 "[ . 1 . 2]" 1
1205 1 64 ILE HG13 1 64 ILE MG . . 3.690 2.710 2.256 3.203 . 0 0 "[ . 1 . 2]" 1
1206 1 64 ILE MG 1 65 LEU H . . 3.780 3.487 3.230 3.789 0.009 16 0 "[ . 1 . 2]" 1
1207 1 64 ILE MG 1 65 LEU HA . . 4.210 3.656 3.353 3.938 . 0 0 "[ . 1 . 2]" 1
1208 1 65 LEU H 1 65 LEU HB2 . . 3.160 2.245 2.092 2.418 . 0 0 "[ . 1 . 2]" 1
1209 1 65 LEU H 1 65 LEU HB3 . . 3.590 3.417 3.147 3.644 0.054 11 0 "[ . 1 . 2]" 1
1210 1 65 LEU H 1 66 GLY H . . 3.360 2.391 2.206 2.609 . 0 0 "[ . 1 . 2]" 1
1211 1 65 LEU H 1 67 LYS H . . 4.740 4.144 3.527 4.597 . 0 0 "[ . 1 . 2]" 1
1212 1 65 LEU HA 1 65 LEU QD . . 2.960 2.300 1.930 2.846 . 0 0 "[ . 1 . 2]" 1
1213 1 65 LEU HA 1 65 LEU HG . . 3.750 3.054 2.188 3.689 . 0 0 "[ . 1 . 2]" 1
1214 1 65 LEU HA 1 66 GLY HA3 . . 4.600 4.538 4.502 4.584 . 0 0 "[ . 1 . 2]" 1
1215 1 65 LEU HA 1 67 LYS H . . 5.500 5.104 4.443 5.500 . 0 0 "[ . 1 . 2]" 1
1216 1 65 LEU HB2 1 66 GLY H . . 4.140 2.798 2.210 3.688 . 0 0 "[ . 1 . 2]" 1
1217 1 65 LEU HB2 1 67 LYS H . . 4.140 3.623 2.891 4.150 0.010 18 0 "[ . 1 . 2]" 1
1218 1 65 LEU HB2 1 67 LYS QG . . 4.850 2.964 2.407 3.611 . 0 0 "[ . 1 . 2]" 1
1219 1 65 LEU HB3 1 66 GLY H . . 4.260 2.915 2.329 4.123 . 0 0 "[ . 1 . 2]" 1
1220 1 65 LEU HB3 1 67 LYS H . . 3.450 3.336 2.479 3.456 0.006 5 0 "[ . 1 . 2]" 1
1221 1 65 LEU QD 1 66 GLY H . . 4.930 3.876 3.593 4.514 . 0 0 "[ . 1 . 2]" 1
1222 1 65 LEU QD 1 67 LYS H . . 5.440 4.446 3.671 4.748 . 0 0 "[ . 1 . 2]" 1
1223 1 65 LEU QD 1 67 LYS HE2 . . 5.090 3.338 2.286 4.472 . 0 0 "[ . 1 . 2]" 1
1224 1 65 LEU QD 1 67 LYS HE3 . . 4.620 3.553 2.283 4.579 . 0 0 "[ . 1 . 2]" 1
1225 1 65 LEU QD 1 67 LYS QG . . 4.490 3.384 2.445 3.971 . 0 0 "[ . 1 . 2]" 1
1226 1 65 LEU HG 1 66 GLY H . . 5.500 4.883 4.582 5.440 . 0 0 "[ . 1 . 2]" 1
1227 1 66 GLY H 1 67 LYS H . . 3.490 2.150 1.893 2.794 . 0 0 "[ . 1 . 2]" 1
1228 1 66 GLY H 1 67 LYS HA . . 5.500 4.815 4.576 5.395 . 0 0 "[ . 1 . 2]" 1
1229 1 66 GLY H 1 67 LYS QG . . 5.170 3.259 2.863 4.320 . 0 0 "[ . 1 . 2]" 1
1230 1 67 LYS H 1 67 LYS HB3 . . 4.020 3.239 2.430 3.634 . 0 0 "[ . 1 . 2]" 1
1231 1 67 LYS H 1 67 LYS QG . . 3.950 2.145 1.916 2.579 . 0 0 "[ . 1 . 2]" 1
1232 1 67 LYS H 1 68 SER H . . 5.250 3.402 2.003 4.470 . 0 0 "[ . 1 . 2]" 1
1233 1 67 LYS HA 1 67 LYS QG . . 3.270 3.314 3.166 3.337 0.067 10 0 "[ . 1 . 2]" 1
1234 1 67 LYS HB2 1 67 LYS HE3 . . 5.120 4.111 2.485 4.777 . 0 0 "[ . 1 . 2]" 1
1235 1 67 LYS HB3 1 68 SER H . . 5.500 4.011 3.530 4.247 . 0 0 "[ . 1 . 2]" 1
1236 1 67 LYS HE2 1 67 LYS QG . . 3.760 2.506 1.991 3.332 . 0 0 "[ . 1 . 2]" 1
1237 1 67 LYS HE3 1 67 LYS QG . . 3.870 2.643 1.973 3.331 . 0 0 "[ . 1 . 2]" 1
1238 1 67 LYS QG 1 68 SER H . . 5.500 3.282 1.890 4.462 . 0 0 "[ . 1 . 2]" 1
1239 1 68 SER H 1 69 GLY H . . 5.500 2.773 1.901 3.313 . 0 0 "[ . 1 . 2]" 1
1240 1 68 SER HA 1 71 LEU H . . 4.170 3.582 3.295 3.857 . 0 0 "[ . 1 . 2]" 1
1241 1 68 SER HA 1 71 LEU HB2 . . 4.040 2.897 2.348 4.042 0.002 1 0 "[ . 1 . 2]" 1
1242 1 68 SER HA 1 71 LEU HB3 . . 3.810 3.460 2.436 4.050 0.240 3 0 "[ . 1 . 2]" 1
1243 1 68 SER HA 1 71 LEU QD . . 4.280 2.862 2.393 3.567 . 0 0 "[ . 1 . 2]" 1
1244 1 68 SER HA 1 72 LYS H . . 4.910 4.627 4.109 4.923 0.013 2 0 "[ . 1 . 2]" 1
1245 1 68 SER QB 1 69 GLY H . . 5.500 3.523 2.081 4.055 . 0 0 "[ . 1 . 2]" 1
1246 1 68 SER QB 1 71 LEU HB3 . . 4.240 3.413 2.292 4.286 0.046 3 0 "[ . 1 . 2]" 1
1247 1 68 SER QB 1 71 LEU QD . . 4.560 2.969 1.930 3.491 . 0 0 "[ . 1 . 2]" 1
1248 1 69 GLY HA2 1 72 LYS H . . 4.050 3.855 3.676 4.074 0.024 2 0 "[ . 1 . 2]" 1
1249 1 69 GLY HA2 1 72 LYS QB . . 4.110 3.347 2.799 3.682 . 0 0 "[ . 1 . 2]" 1
1250 1 69 GLY HA3 1 72 LYS H . . 4.780 4.722 4.511 4.789 0.009 17 0 "[ . 1 . 2]" 1
1251 1 69 GLY HA3 1 72 LYS QB . . 4.840 4.661 4.222 4.925 0.085 10 0 "[ . 1 . 2]" 1
1252 1 70 GLU H 1 70 GLU HB2 . . 3.460 2.554 2.107 3.583 0.123 11 0 "[ . 1 . 2]" 1
1253 1 70 GLU H 1 70 GLU HB3 . . 3.750 3.261 2.144 3.599 . 0 0 "[ . 1 . 2]" 1
1254 1 70 GLU H 1 70 GLU HG2 . . 4.040 3.722 2.231 4.614 0.574 18 1 "[ . 1 . + 2]" 1
1255 1 70 GLU H 1 71 LEU H . . 3.490 2.746 2.558 2.835 . 0 0 "[ . 1 . 2]" 1
1256 1 70 GLU H 1 72 LYS H . . 4.760 4.375 3.931 4.589 . 0 0 "[ . 1 . 2]" 1
1257 1 70 GLU H 1 72 LYS QB . . 5.380 5.135 4.668 5.337 . 0 0 "[ . 1 . 2]" 1
1258 1 70 GLU H 1 73 THR H . . 5.500 5.208 4.943 5.425 . 0 0 "[ . 1 . 2]" 1
1259 1 70 GLU HA 1 70 GLU HG2 . . 3.440 3.258 2.074 3.800 0.360 10 0 "[ . 1 . 2]" 1
1260 1 70 GLU HA 1 70 GLU HG3 . . 3.700 2.755 2.188 3.896 0.196 11 0 "[ . 1 . 2]" 1
1261 1 70 GLU HB2 1 71 LEU H . . 4.080 3.181 2.360 4.181 0.101 10 0 "[ . 1 . 2]" 1
1262 1 70 GLU HB3 1 71 LEU H . . 3.810 3.554 2.626 3.892 0.082 11 0 "[ . 1 . 2]" 1
1263 1 71 LEU H 1 71 LEU HB3 . . 3.200 3.028 2.327 3.484 0.284 3 0 "[ . 1 . 2]" 1
1264 1 71 LEU H 1 72 LYS H . . 3.400 2.736 2.622 2.815 . 0 0 "[ . 1 . 2]" 1
1265 1 71 LEU H 1 73 THR H . . 5.220 4.190 3.930 4.635 . 0 0 "[ . 1 . 2]" 1
1266 1 71 LEU H 1 74 TRP QB . . 5.150 4.722 4.486 4.918 . 0 0 "[ . 1 . 2]" 1
1267 1 71 LEU HA 1 71 LEU QD . . 3.120 2.115 1.991 2.268 . 0 0 "[ . 1 . 2]" 1
1268 1 71 LEU HA 1 71 LEU HG . . 3.750 2.898 2.654 3.358 . 0 0 "[ . 1 . 2]" 1
1269 1 71 LEU HA 1 74 TRP QB . . 3.290 2.537 2.323 2.685 . 0 0 "[ . 1 . 2]" 1
1270 1 71 LEU HA 1 74 TRP HD1 . . 4.330 4.190 3.829 4.347 0.017 15 0 "[ . 1 . 2]" 1
1271 1 71 LEU HA 1 75 GLY H . . 4.890 3.894 3.554 4.229 . 0 0 "[ . 1 . 2]" 1
1272 1 71 LEU HB3 1 71 LEU QD . . 3.270 2.158 2.026 2.354 . 0 0 "[ . 1 . 2]" 1
1273 1 71 LEU QD 1 72 LYS H . . 4.750 4.016 3.784 4.213 . 0 0 "[ . 1 . 2]" 1
1274 1 71 LEU QD 1 74 TRP H . . 5.500 4.352 4.044 4.771 . 0 0 "[ . 1 . 2]" 1
1275 1 71 LEU QD 1 74 TRP QB . . 3.920 2.844 2.450 3.185 . 0 0 "[ . 1 . 2]" 1
1276 1 71 LEU QD 1 74 TRP HD1 . . 3.390 2.845 2.543 3.257 . 0 0 "[ . 1 . 2]" 1
1277 1 71 LEU QD 1 74 TRP HE1 . . 5.420 4.758 4.528 5.045 . 0 0 "[ . 1 . 2]" 1
1278 1 71 LEU QD 1 75 GLY H . . 5.210 3.719 3.206 4.272 . 0 0 "[ . 1 . 2]" 1
1279 1 72 LYS H 1 72 LYS QB . . 2.820 2.114 2.041 2.245 . 0 0 "[ . 1 . 2]" 1
1280 1 72 LYS H 1 72 LYS QD . . 4.240 4.197 4.046 4.258 0.018 10 0 "[ . 1 . 2]" 1
1281 1 72 LYS H 1 73 THR H . . 3.490 2.667 2.493 3.007 . 0 0 "[ . 1 . 2]" 1
1282 1 72 LYS H 1 74 TRP QB . . 5.500 4.925 4.708 5.161 . 0 0 "[ . 1 . 2]" 1
1283 1 72 LYS HA 1 72 LYS QB . . 2.770 2.484 2.329 2.540 . 0 0 "[ . 1 . 2]" 1
1284 1 72 LYS HA 1 72 LYS QE . . 4.510 4.092 3.890 4.307 . 0 0 "[ . 1 . 2]" 1
1285 1 72 LYS HA 1 72 LYS QG . . 2.950 2.609 2.461 2.960 0.010 5 0 "[ . 1 . 2]" 1
1286 1 72 LYS HA 1 75 GLY H . . 4.120 3.902 3.592 4.121 0.001 6 0 "[ . 1 . 2]" 1
1287 1 72 LYS QB 1 73 THR H . . 3.200 2.808 2.320 3.029 . 0 0 "[ . 1 . 2]" 1
1288 1 72 LYS QD 1 73 THR H . . 5.500 4.586 4.201 4.902 . 0 0 "[ . 1 . 2]" 1
1289 1 72 LYS QD 1 76 LEU H . . 5.220 4.989 4.348 5.229 0.009 10 0 "[ . 1 . 2]" 1
1290 1 72 LYS QE 1 76 LEU MD1 . . 4.170 3.522 2.526 4.171 0.001 2 0 "[ . 1 . 2]" 1
1291 1 72 LYS QG 1 76 LEU MD1 . . 5.380 4.429 2.600 5.280 . 0 0 "[ . 1 . 2]" 1
1292 1 73 THR H 1 73 THR HB . . 3.040 2.767 2.457 2.989 . 0 0 "[ . 1 . 2]" 1
1293 1 73 THR H 1 73 THR MG . . 4.470 3.767 3.637 3.829 . 0 0 "[ . 1 . 2]" 1
1294 1 73 THR H 1 74 TRP H . . 3.630 2.433 2.196 2.817 . 0 0 "[ . 1 . 2]" 1
1295 1 73 THR H 1 74 TRP QB . . 4.580 4.197 3.980 4.569 . 0 0 "[ . 1 . 2]" 1
1296 1 73 THR H 1 76 LEU H . . 5.500 4.882 4.749 5.074 . 0 0 "[ . 1 . 2]" 1
1297 1 73 THR H 1 76 LEU MD1 . . 5.500 5.277 4.845 5.481 . 0 0 "[ . 1 . 2]" 1
1298 1 73 THR HA 1 73 THR MG . . 3.210 2.166 2.020 2.430 . 0 0 "[ . 1 . 2]" 1
1299 1 73 THR HA 1 74 TRP HA . . 5.000 4.797 4.752 4.839 . 0 0 "[ . 1 . 2]" 1
1300 1 73 THR HA 1 76 LEU HB2 . . 3.880 2.851 2.713 3.044 . 0 0 "[ . 1 . 2]" 1
1301 1 73 THR HA 1 76 LEU HB3 . . 4.650 4.380 4.196 4.642 . 0 0 "[ . 1 . 2]" 1
1302 1 73 THR HA 1 76 LEU MD1 . . 3.540 3.454 3.249 3.562 0.022 18 0 "[ . 1 . 2]" 1
1303 1 73 THR HA 1 76 LEU MD2 . . 5.500 5.368 5.179 5.487 . 0 0 "[ . 1 . 2]" 1
1304 1 73 THR HA 1 76 LEU HG . . 4.720 4.476 4.150 4.670 . 0 0 "[ . 1 . 2]" 1
1305 1 73 THR HA 1 77 VAL H . . 5.250 3.780 3.618 4.136 . 0 0 "[ . 1 . 2]" 1
1306 1 73 THR HA 1 77 VAL MG2 . . 4.240 3.482 3.302 3.716 . 0 0 "[ . 1 . 2]" 1
1307 1 73 THR HB 1 74 TRP H . . 3.150 2.696 2.456 2.936 . 0 0 "[ . 1 . 2]" 1
1308 1 73 THR MG 1 74 TRP H . . 4.380 3.854 3.556 4.121 . 0 0 "[ . 1 . 2]" 1
1309 1 73 THR MG 1 74 TRP HA . . 4.640 4.077 3.450 4.478 . 0 0 "[ . 1 . 2]" 1
1310 1 73 THR MG 1 76 LEU H . . 5.500 4.580 4.262 4.825 . 0 0 "[ . 1 . 2]" 1
1311 1 73 THR MG 1 77 VAL H . . 5.500 3.631 3.352 3.997 . 0 0 "[ . 1 . 2]" 1
1312 1 73 THR MG 1 77 VAL HA . . 5.500 4.802 4.550 5.062 . 0 0 "[ . 1 . 2]" 1
1313 1 73 THR MG 1 77 VAL HB . . 4.990 3.850 3.490 4.142 . 0 0 "[ . 1 . 2]" 1
1314 1 73 THR MG 1 77 VAL MG2 . . 3.600 2.030 1.831 2.313 . 0 0 "[ . 1 . 2]" 1
1315 1 74 TRP H 1 74 TRP QB . . 2.920 2.255 2.250 2.266 . 0 0 "[ . 1 . 2]" 1
1316 1 74 TRP H 1 74 TRP HE3 . . 4.970 4.543 4.425 4.637 . 0 0 "[ . 1 . 2]" 1
1317 1 74 TRP H 1 75 GLY H . . 3.940 2.724 2.598 2.860 . 0 0 "[ . 1 . 2]" 1
1318 1 74 TRP H 1 76 LEU H . . 5.500 4.071 3.879 4.243 . 0 0 "[ . 1 . 2]" 1
1319 1 74 TRP HA 1 74 TRP HD1 . . 4.660 4.659 4.578 4.695 0.035 15 0 "[ . 1 . 2]" 1
1320 1 74 TRP HA 1 74 TRP HE3 . . 3.100 2.117 1.988 2.291 . 0 0 "[ . 1 . 2]" 1
1321 1 74 TRP HA 1 74 TRP HZ3 . . 4.470 4.408 4.296 4.527 0.057 13 0 "[ . 1 . 2]" 1
1322 1 74 TRP HA 1 76 LEU H . . 5.500 4.157 3.721 4.451 . 0 0 "[ . 1 . 2]" 1
1323 1 74 TRP HA 1 77 VAL H . . 4.160 3.622 3.182 3.804 . 0 0 "[ . 1 . 2]" 1
1324 1 74 TRP HA 1 77 VAL HB . . 3.140 2.721 2.534 2.800 . 0 0 "[ . 1 . 2]" 1
1325 1 74 TRP HA 1 77 VAL MG1 . . 4.000 4.045 4.016 4.083 0.083 20 0 "[ . 1 . 2]" 1
1326 1 74 TRP HA 1 77 VAL MG2 . . 3.890 3.490 3.064 3.753 . 0 0 "[ . 1 . 2]" 1
1327 1 74 TRP HA 1 78 LEU H . . 4.450 3.615 3.230 3.840 . 0 0 "[ . 1 . 2]" 1
1328 1 74 TRP QB 1 74 TRP HD1 . . 3.410 2.496 2.495 2.500 . 0 0 "[ . 1 . 2]" 1
1329 1 74 TRP QB 1 74 TRP HE3 . . 3.880 2.971 2.884 3.030 . 0 0 "[ . 1 . 2]" 1
1330 1 74 TRP QB 1 77 VAL HB . . 5.500 4.756 4.556 4.833 . 0 0 "[ . 1 . 2]" 1
1331 1 74 TRP HD1 1 75 GLY H . . 5.040 4.109 3.809 4.511 . 0 0 "[ . 1 . 2]" 1
1332 1 74 TRP HD1 1 78 LEU QD . . 4.680 3.951 3.477 4.609 . 0 0 "[ . 1 . 2]" 1
1333 1 74 TRP HE1 1 78 LEU HB2 . . 5.200 4.499 4.007 4.894 . 0 0 "[ . 1 . 2]" 1
1334 1 74 TRP HE1 1 78 LEU QD . . 4.030 2.835 2.227 3.673 . 0 0 "[ . 1 . 2]" 1
1335 1 74 TRP HE3 1 77 VAL H . . 5.190 5.179 4.870 5.246 0.056 16 0 "[ . 1 . 2]" 1
1336 1 74 TRP HE3 1 77 VAL HB . . 3.740 3.254 3.003 3.408 . 0 0 "[ . 1 . 2]" 1
1337 1 74 TRP HE3 1 77 VAL MG1 . . 3.970 3.592 3.532 3.670 . 0 0 "[ . 1 . 2]" 1
1338 1 74 TRP HE3 1 77 VAL MG2 . . 4.480 4.125 3.791 4.502 0.022 19 0 "[ . 1 . 2]" 1
1339 1 74 TRP HE3 1 78 LEU H . . 4.900 4.467 4.042 4.678 . 0 0 "[ . 1 . 2]" 1
1340 1 74 TRP HH2 1 78 LEU QD . . 4.240 3.132 2.531 3.662 . 0 0 "[ . 1 . 2]" 1
1341 1 74 TRP HZ2 1 78 LEU QD . . 3.780 2.541 2.084 3.137 . 0 0 "[ . 1 . 2]" 1
1342 1 74 TRP HZ3 1 77 VAL HB . . 5.080 4.324 4.056 4.578 . 0 0 "[ . 1 . 2]" 1
1343 1 74 TRP HZ3 1 77 VAL MG1 . . 3.770 3.297 3.186 3.526 . 0 0 "[ . 1 . 2]" 1
1344 1 74 TRP HZ3 1 78 LEU H . . 5.500 5.320 4.873 5.518 0.018 10 0 "[ . 1 . 2]" 1
1345 1 74 TRP HZ3 1 78 LEU QD . . 5.160 3.983 3.281 4.645 . 0 0 "[ . 1 . 2]" 1
1346 1 74 TRP HZ3 1 81 LEU QD . . 4.500 3.792 3.273 4.283 . 0 0 "[ . 1 . 2]" 1
1347 1 75 GLY H 1 76 LEU H . . 3.640 2.728 2.650 2.810 . 0 0 "[ . 1 . 2]" 1
1348 1 75 GLY H 1 76 LEU HB2 . . 4.670 4.707 4.660 4.774 0.104 19 0 "[ . 1 . 2]" 1
1349 1 75 GLY H 1 76 LEU HG . . 5.500 5.175 4.844 5.431 . 0 0 "[ . 1 . 2]" 1
1350 1 75 GLY H 1 77 VAL MG2 . . 5.500 5.380 5.196 5.535 0.035 19 0 "[ . 1 . 2]" 1
1351 1 75 GLY H 1 78 LEU HB3 . . 5.500 5.441 5.001 6.102 0.602 12 2 "[ . - + . 2]" 1
1352 1 75 GLY HA2 1 78 LEU HB2 . . 4.790 3.991 3.469 4.804 0.014 19 0 "[ . 1 . 2]" 1
1353 1 75 GLY HA2 1 78 LEU HB3 . . 4.210 3.382 3.006 3.871 . 0 0 "[ . 1 . 2]" 1
1354 1 75 GLY HA2 1 78 LEU QD . . 4.680 3.726 3.342 4.190 . 0 0 "[ . 1 . 2]" 1
1355 1 75 GLY HA3 1 78 LEU HB3 . . 5.080 4.998 4.576 5.523 0.443 12 0 "[ . 1 . 2]" 1
1356 1 75 GLY HA3 1 79 GLY H . . 5.500 5.289 4.930 5.524 0.024 13 0 "[ . 1 . 2]" 1
1357 1 76 LEU H 1 76 LEU HB2 . . 3.240 2.219 2.155 2.346 . 0 0 "[ . 1 . 2]" 1
1358 1 76 LEU H 1 76 LEU HB3 . . 3.630 3.512 3.469 3.597 . 0 0 "[ . 1 . 2]" 1
1359 1 76 LEU H 1 76 LEU MD2 . . 3.920 3.897 3.763 3.959 0.039 19 0 "[ . 1 . 2]" 1
1360 1 76 LEU H 1 76 LEU HG . . 3.340 3.065 2.847 3.199 . 0 0 "[ . 1 . 2]" 1
1361 1 76 LEU H 1 77 VAL H . . 3.220 2.513 2.184 2.666 . 0 0 "[ . 1 . 2]" 1
1362 1 76 LEU H 1 78 LEU H . . 4.700 3.830 3.384 4.244 . 0 0 "[ . 1 . 2]" 1
1363 1 76 LEU HA 1 76 LEU MD1 . . 3.810 3.809 3.792 3.843 0.033 19 0 "[ . 1 . 2]" 1
1364 1 76 LEU HA 1 76 LEU MD2 . . 2.940 2.034 1.950 2.183 . 0 0 "[ . 1 . 2]" 1
1365 1 76 LEU HA 1 77 VAL MG2 . . 5.500 5.021 4.867 5.138 . 0 0 "[ . 1 . 2]" 1
1366 1 76 LEU HA 1 78 LEU H . . 5.360 4.344 4.032 4.842 . 0 0 "[ . 1 . 2]" 1
1367 1 76 LEU HA 1 79 GLY H . . 4.640 3.401 3.198 3.747 . 0 0 "[ . 1 . 2]" 1
1368 1 76 LEU HA 1 80 ALA H . . 5.500 4.782 3.850 5.508 0.008 15 0 "[ . 1 . 2]" 1
1369 1 76 LEU HB2 1 76 LEU MD1 . . 3.480 2.387 2.352 2.412 . 0 0 "[ . 1 . 2]" 1
1370 1 76 LEU HB2 1 76 LEU MD2 . . 3.580 3.190 3.178 3.194 . 0 0 "[ . 1 . 2]" 1
1371 1 76 LEU HB3 1 76 LEU MD1 . . 3.600 2.288 2.234 2.350 . 0 0 "[ . 1 . 2]" 1
1372 1 76 LEU HB3 1 76 LEU MD2 . . 3.640 2.316 2.243 2.368 . 0 0 "[ . 1 . 2]" 1
1373 1 76 LEU HB3 1 77 VAL H . . 3.890 3.080 2.900 3.470 . 0 0 "[ . 1 . 2]" 1
1374 1 76 LEU HB3 1 78 LEU H . . 5.450 5.212 5.001 5.504 0.054 16 0 "[ . 1 . 2]" 1
1375 1 76 LEU MD1 1 77 VAL HA . . 5.500 5.566 5.508 5.693 0.193 10 0 "[ . 1 . 2]" 1
1376 1 76 LEU HG 1 77 VAL H . . 4.700 4.645 4.524 4.747 0.047 10 0 "[ . 1 . 2]" 1
1377 1 77 VAL H 1 77 VAL HB . . 2.980 2.513 2.454 2.558 . 0 0 "[ . 1 . 2]" 1
1378 1 77 VAL H 1 77 VAL MG1 . . 4.080 3.761 3.757 3.765 . 0 0 "[ . 1 . 2]" 1
1379 1 77 VAL H 1 77 VAL MG2 . . 3.410 2.152 2.053 2.335 . 0 0 "[ . 1 . 2]" 1
1380 1 77 VAL H 1 78 LEU H . . 3.500 2.764 2.503 2.990 . 0 0 "[ . 1 . 2]" 1
1381 1 77 VAL H 1 78 LEU HB2 . . 5.290 4.922 4.354 5.207 . 0 0 "[ . 1 . 2]" 1
1382 1 77 VAL H 1 79 GLY H . . 4.750 4.118 3.930 4.256 . 0 0 "[ . 1 . 2]" 1
1383 1 77 VAL HA 1 77 VAL MG1 . . 3.260 2.372 2.315 2.414 . 0 0 "[ . 1 . 2]" 1
1384 1 77 VAL HA 1 77 VAL MG2 . . 3.100 2.355 2.243 2.406 . 0 0 "[ . 1 . 2]" 1
1385 1 77 VAL HA 1 80 ALA H . . 4.210 3.860 3.661 4.161 . 0 0 "[ . 1 . 2]" 1
1386 1 77 VAL HA 1 80 ALA MB . . 3.500 3.419 3.085 3.580 0.080 15 0 "[ . 1 . 2]" 1
1387 1 77 VAL HA 1 81 LEU H . . 5.080 4.711 4.457 5.123 0.043 15 0 "[ . 1 . 2]" 1
1388 1 77 VAL HB 1 78 LEU H . . 3.350 2.690 2.319 2.912 . 0 0 "[ . 1 . 2]" 1
1389 1 77 VAL HB 1 79 GLY H . . 5.340 4.981 4.584 5.269 . 0 0 "[ . 1 . 2]" 1
1390 1 77 VAL MG1 1 78 LEU HA . . 4.050 3.519 3.261 3.672 . 0 0 "[ . 1 . 2]" 1
1391 1 77 VAL MG2 1 78 LEU H . . 4.210 3.910 3.798 4.002 . 0 0 "[ . 1 . 2]" 1
1392 1 77 VAL MG2 1 79 GLY H . . 5.500 5.332 5.061 5.517 0.017 12 0 "[ . 1 . 2]" 1
1393 1 78 LEU H 1 78 LEU HB2 . . 3.250 2.364 2.098 2.695 . 0 0 "[ . 1 . 2]" 1
1394 1 78 LEU H 1 78 LEU HB3 . . 3.010 2.719 2.478 3.088 0.078 10 0 "[ . 1 . 2]" 1
1395 1 78 LEU H 1 78 LEU QD . . 4.610 3.616 3.448 3.759 . 0 0 "[ . 1 . 2]" 1
1396 1 78 LEU H 1 79 GLY H . . 3.700 2.536 2.273 2.835 . 0 0 "[ . 1 . 2]" 1
1397 1 78 LEU H 1 79 GLY HA3 . . 5.500 4.808 4.540 5.070 . 0 0 "[ . 1 . 2]" 1
1398 1 78 LEU H 1 80 ALA H . . 4.870 4.250 4.006 4.876 0.006 8 0 "[ . 1 . 2]" 1
1399 1 78 LEU HA 1 78 LEU QD . . 3.220 2.021 1.869 2.243 . 0 0 "[ . 1 . 2]" 1
1400 1 78 LEU HA 1 80 ALA H . . 5.120 4.069 3.484 5.003 . 0 0 "[ . 1 . 2]" 1
1401 1 78 LEU HA 1 81 LEU H . . 3.970 3.435 2.926 3.760 . 0 0 "[ . 1 . 2]" 1
1402 1 78 LEU HA 1 81 LEU HB2 . . 3.610 2.886 2.441 3.249 . 0 0 "[ . 1 . 2]" 1
1403 1 78 LEU HA 1 81 LEU QD . . 3.830 2.455 1.911 3.188 . 0 0 "[ . 1 . 2]" 1
1404 1 78 LEU HA 1 81 LEU HG . . 4.410 3.781 2.880 4.610 0.200 16 0 "[ . 1 . 2]" 1
1405 1 78 LEU HA 1 82 LYS H . . 4.560 3.628 3.193 4.206 . 0 0 "[ . 1 . 2]" 1
1406 1 78 LEU HB2 1 79 GLY H . . 4.310 3.774 3.289 4.062 . 0 0 "[ . 1 . 2]" 1
1407 1 78 LEU HB3 1 79 GLY H . . 3.700 2.790 2.528 3.007 . 0 0 "[ . 1 . 2]" 1
1408 1 78 LEU HB3 1 79 GLY HA2 . . 5.170 4.051 3.796 4.303 . 0 0 "[ . 1 . 2]" 1
1409 1 78 LEU HB3 1 82 LYS QD . . 5.460 4.121 3.273 5.341 . 0 0 "[ . 1 . 2]" 1
1410 1 78 LEU QD 1 79 GLY H . . 5.390 3.945 3.221 4.242 . 0 0 "[ . 1 . 2]" 1
1411 1 78 LEU QD 1 81 LEU H . . 5.330 4.232 3.747 4.558 . 0 0 "[ . 1 . 2]" 1
1412 1 78 LEU QD 1 81 LEU HB2 . . 4.230 2.820 2.457 3.153 . 0 0 "[ . 1 . 2]" 1
1413 1 78 LEU QD 1 81 LEU QD . . 4.870 2.716 2.373 3.175 . 0 0 "[ . 1 . 2]" 1
1414 1 78 LEU QD 1 82 LYS H . . 4.770 3.194 2.514 4.313 . 0 0 "[ . 1 . 2]" 1
1415 1 78 LEU QD 1 82 LYS HA . . 5.260 3.877 3.562 4.552 . 0 0 "[ . 1 . 2]" 1
1416 1 78 LEU QD 1 82 LYS HB3 . . 4.900 4.170 3.353 5.415 0.515 17 1 "[ . 1 . + 2]" 1
1417 1 78 LEU QD 1 82 LYS QD . . 4.140 2.454 1.806 3.575 . 0 0 "[ . 1 . 2]" 1
1418 1 78 LEU QD 1 82 LYS HE2 . . 4.400 3.248 2.372 3.836 . 0 0 "[ . 1 . 2]" 1
1419 1 78 LEU QD 1 82 LYS HE3 . . 3.870 2.285 1.838 3.209 . 0 0 "[ . 1 . 2]" 1
1420 1 78 LEU QD 1 82 LYS QG . . 4.470 3.069 1.853 4.052 . 0 0 "[ . 1 . 2]" 1
1421 1 78 LEU HG 1 82 LYS QD . . 4.220 3.116 1.894 4.348 0.128 6 0 "[ . 1 . 2]" 1
1422 1 78 LEU HG 1 82 LYS HE3 . . 4.180 3.510 2.169 4.225 0.045 10 0 "[ . 1 . 2]" 1
1423 1 79 GLY H 1 80 ALA H . . 3.650 2.772 2.590 2.960 . 0 0 "[ . 1 . 2]" 1
1424 1 79 GLY H 1 80 ALA MB . . 4.950 4.412 4.259 4.522 . 0 0 "[ . 1 . 2]" 1
1425 1 79 GLY H 1 81 LEU H . . 5.290 4.466 3.882 4.930 . 0 0 "[ . 1 . 2]" 1
1426 1 79 GLY H 1 82 LYS H . . 5.500 4.857 4.582 4.980 . 0 0 "[ . 1 . 2]" 1
1427 1 79 GLY HA2 1 81 LEU H . . 5.500 4.851 4.175 5.342 . 0 0 "[ . 1 . 2]" 1
1428 1 79 GLY HA2 1 82 LYS H . . 4.510 4.022 3.418 4.369 . 0 0 "[ . 1 . 2]" 1
1429 1 79 GLY HA2 1 82 LYS HB2 . . 4.270 3.298 2.310 4.002 . 0 0 "[ . 1 . 2]" 1
1430 1 79 GLY HA2 1 82 LYS HB3 . . 4.400 3.769 3.193 4.404 0.004 18 0 "[ . 1 . 2]" 1
1431 1 79 GLY HA2 1 82 LYS QD . . 4.250 3.999 3.189 4.296 0.046 16 0 "[ . 1 . 2]" 1
1432 1 79 GLY HA2 1 83 ALA H . . 5.190 4.159 3.592 4.986 . 0 0 "[ . 1 . 2]" 1
1433 1 79 GLY HA3 1 80 ALA H . . 3.170 2.894 2.576 3.133 . 0 0 "[ . 1 . 2]" 1
1434 1 79 GLY HA3 1 80 ALA MB . . 5.310 4.369 4.305 4.417 . 0 0 "[ . 1 . 2]" 1
1435 1 80 ALA H 1 80 ALA MB . . 3.160 2.208 2.032 2.303 . 0 0 "[ . 1 . 2]" 1
1436 1 80 ALA H 1 81 LEU H . . 3.380 2.592 2.091 2.860 . 0 0 "[ . 1 . 2]" 1
1437 1 80 ALA H 1 81 LEU HG . . 4.990 4.353 3.921 5.163 0.173 16 0 "[ . 1 . 2]" 1
1438 1 80 ALA H 1 82 LYS H . . 4.820 4.059 3.436 4.597 . 0 0 "[ . 1 . 2]" 1
1439 1 80 ALA HA 1 82 LYS H . . 5.070 4.676 3.946 5.091 0.021 9 0 "[ . 1 . 2]" 1
1440 1 80 ALA HA 1 83 ALA H . . 4.030 3.825 3.483 3.979 . 0 0 "[ . 1 . 2]" 1
1441 1 80 ALA HA 1 83 ALA MB . . 3.420 2.984 2.621 3.433 0.013 15 0 "[ . 1 . 2]" 1
1442 1 80 ALA HA 1 84 ALA H . . 4.640 4.475 4.162 4.677 0.037 20 0 "[ . 1 . 2]" 1
1443 1 80 ALA HA 1 84 ALA MB . . 5.290 4.661 4.384 4.978 . 0 0 "[ . 1 . 2]" 1
1444 1 80 ALA MB 1 81 LEU H . . 3.620 2.425 2.101 2.839 . 0 0 "[ . 1 . 2]" 1
1445 1 80 ALA MB 1 81 LEU QD . . 4.050 3.315 2.592 3.751 . 0 0 "[ . 1 . 2]" 1
1446 1 81 LEU H 1 81 LEU HB2 . . 3.160 2.580 2.263 2.737 . 0 0 "[ . 1 . 2]" 1
1447 1 81 LEU H 1 81 LEU QD . . 3.940 2.825 1.893 3.317 . 0 0 "[ . 1 . 2]" 1
1448 1 81 LEU H 1 81 LEU HG . . 3.270 2.197 1.944 3.385 0.115 16 0 "[ . 1 . 2]" 1
1449 1 81 LEU H 1 82 LYS H . . 3.450 2.750 2.519 2.920 . 0 0 "[ . 1 . 2]" 1
1450 1 81 LEU H 1 83 ALA H . . 5.270 4.321 3.928 4.898 . 0 0 "[ . 1 . 2]" 1
1451 1 81 LEU H 1 84 ALA H . . 5.500 4.717 4.471 4.899 . 0 0 "[ . 1 . 2]" 1
1452 1 81 LEU HA 1 81 LEU QD . . 2.980 2.425 2.006 2.997 0.017 15 0 "[ . 1 . 2]" 1
1453 1 81 LEU HA 1 81 LEU HG . . 3.890 2.974 2.410 3.403 . 0 0 "[ . 1 . 2]" 1
1454 1 81 LEU HA 1 84 ALA H . . 3.780 3.359 2.981 3.597 . 0 0 "[ . 1 . 2]" 1
1455 1 81 LEU HA 1 84 ALA MB . . 3.400 2.429 1.941 2.976 . 0 0 "[ . 1 . 2]" 1
1456 1 81 LEU HB2 1 81 LEU HG . . 2.970 2.610 2.398 2.986 0.016 16 0 "[ . 1 . 2]" 1
1457 1 81 LEU HB2 1 82 LYS H . . 3.040 2.443 2.099 2.948 . 0 0 "[ . 1 . 2]" 1
1458 1 81 LEU QD 1 82 LYS H . . 5.500 3.818 3.565 4.147 . 0 0 "[ . 1 . 2]" 1
1459 1 81 LEU QD 1 84 ALA H . . 5.500 5.021 4.479 5.228 . 0 0 "[ . 1 . 2]" 1
1460 1 81 LEU QD 1 84 ALA MB . . 4.260 3.631 2.835 4.046 . 0 0 "[ . 1 . 2]" 1
1461 1 82 LYS H 1 82 LYS HB2 . . 3.150 2.155 2.060 2.343 . 0 0 "[ . 1 . 2]" 1
1462 1 82 LYS H 1 82 LYS HB3 . . 4.190 3.196 2.798 3.565 . 0 0 "[ . 1 . 2]" 1
1463 1 82 LYS H 1 82 LYS HE3 . . 5.500 5.503 5.091 5.857 0.357 16 0 "[ . 1 . 2]" 1
1464 1 82 LYS H 1 83 ALA H . . 3.340 2.851 2.638 3.071 . 0 0 "[ . 1 . 2]" 1
1465 1 82 LYS H 1 83 ALA MB . . 5.500 4.442 4.321 4.515 . 0 0 "[ . 1 . 2]" 1
1466 1 82 LYS H 1 84 ALA H . . 4.640 3.965 3.687 4.137 . 0 0 "[ . 1 . 2]" 1
1467 1 82 LYS HA 1 82 LYS QD . . 3.830 3.673 2.614 3.880 0.050 20 0 "[ . 1 . 2]" 1
1468 1 82 LYS HA 1 82 LYS QG . . 3.250 2.140 2.015 2.364 . 0 0 "[ . 1 . 2]" 1
1469 1 82 LYS HA 1 85 ARG QD . . 4.300 3.212 2.097 3.945 . 0 0 "[ . 1 . 2]" 1
1470 1 82 LYS HB2 1 82 LYS HE2 . . 4.890 4.129 3.440 4.893 0.003 8 0 "[ . 1 . 2]" 1
1471 1 82 LYS HB2 1 83 ALA H . . 3.570 3.161 2.365 3.865 0.295 3 0 "[ . 1 . 2]" 1
1472 1 82 LYS HB3 1 82 LYS HE2 . . 4.930 4.426 3.175 5.468 0.538 16 1 "[ . 1 .+ 2]" 1
1473 1 82 LYS HB3 1 82 LYS HE3 . . 4.830 4.792 4.250 5.251 0.421 13 0 "[ . 1 . 2]" 1
1474 1 82 LYS HB3 1 83 ALA H . . 3.910 2.737 2.203 3.323 . 0 0 "[ . 1 . 2]" 1
1475 1 82 LYS HE2 1 82 LYS QG . . 3.740 2.177 1.976 3.302 . 0 0 "[ . 1 . 2]" 1
1476 1 83 ALA H 1 83 ALA MB . . 3.240 2.152 2.072 2.208 . 0 0 "[ . 1 . 2]" 1
1477 1 83 ALA H 1 84 ALA H . . 3.440 2.570 2.208 2.804 . 0 0 "[ . 1 . 2]" 1
1478 1 83 ALA HA 1 86 GLU HB2 . . 4.680 3.242 2.208 4.721 0.041 15 0 "[ . 1 . 2]" 1
1479 1 83 ALA HA 1 86 GLU HB3 . . 5.050 4.366 2.872 5.111 0.061 15 0 "[ . 1 . 2]" 1
1480 1 83 ALA HA 1 86 GLU HG3 . . 4.790 3.601 2.451 4.804 0.014 19 0 "[ . 1 . 2]" 1
1481 1 83 ALA MB 1 84 ALA H . . 3.650 2.896 2.603 3.090 . 0 0 "[ . 1 . 2]" 1
1482 1 83 ALA MB 1 84 ALA HA . . 4.750 3.879 3.750 3.959 . 0 0 "[ . 1 . 2]" 1
1483 1 83 ALA MB 1 84 ALA MB . . 4.180 3.937 3.741 4.123 . 0 0 "[ . 1 . 2]" 1
1484 1 84 ALA H 1 84 ALA MB . . 3.090 2.161 2.055 2.259 . 0 0 "[ . 1 . 2]" 1
1485 1 84 ALA H 1 85 ARG HG3 . . 5.400 5.293 4.101 6.306 0.906 15 5 "[ * 1 ** + - 2]" 1
1486 1 84 ALA HA 1 85 ARG HA . . 4.990 4.685 4.565 4.879 . 0 0 "[ . 1 . 2]" 1
1487 1 84 ALA MB 1 85 ARG HA . . 4.040 3.837 3.581 4.046 0.006 8 0 "[ . 1 . 2]" 1
1488 1 84 ALA MB 1 85 ARG QD . . 5.500 3.789 2.173 4.848 . 0 0 "[ . 1 . 2]" 1
1489 1 85 ARG HA 1 85 ARG QD . . 4.580 3.942 2.285 4.325 . 0 0 "[ . 1 . 2]" 1
1490 1 85 ARG HA 1 85 ARG QG . . 3.330 2.870 2.191 3.381 0.051 20 0 "[ . 1 . 2]" 1
1491 1 85 ARG HB3 1 85 ARG HE . . 5.500 3.855 2.001 5.132 . 0 0 "[ . 1 . 2]" 1
1492 1 86 GLU H 1 86 GLU HB2 . . 3.250 2.524 2.067 3.305 0.055 18 0 "[ . 1 . 2]" 1
1493 1 86 GLU H 1 86 GLU HB3 . . 4.090 3.416 2.381 4.051 . 0 0 "[ . 1 . 2]" 1
1494 1 86 GLU H 1 86 GLU HG2 . . 4.260 3.716 2.663 4.659 0.399 19 0 "[ . 1 . 2]" 1
1495 1 86 GLU H 1 87 GLU H . . 3.370 2.802 2.084 3.288 . 0 0 "[ . 1 . 2]" 1
1496 1 86 GLU HA 1 86 GLU HG2 . . 3.510 2.454 2.019 3.831 0.321 19 0 "[ . 1 . 2]" 1
1497 1 87 GLU H 1 87 GLU HB2 . . 3.380 3.000 2.064 3.892 0.512 19 2 "[ . 1 - . +2]" 1
1498 1 87 GLU H 1 87 GLU HB3 . . 3.860 3.268 2.390 3.859 . 0 0 "[ . 1 . 2]" 1
1499 1 87 GLU H 1 87 GLU QG . . 3.970 3.194 2.078 3.970 0.000 6 0 "[ . 1 . 2]" 1
1500 1 87 GLU HB3 1 87 GLU QG . . 2.590 2.356 2.129 2.524 . 0 0 "[ . 1 . 2]" 1
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