NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
388770 |
1n9c   |
5597 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1n9c
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 1168
_Distance_constraint_stats_list.Viol_count 789
_Distance_constraint_stats_list.Viol_total 1175.152
_Distance_constraint_stats_list.Viol_max 0.619
_Distance_constraint_stats_list.Viol_rms 0.0111
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0496
_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 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 2 ASP 1.181 0.114 14 0 "[ . 1 . 2 . 3]"
1 3 ALA 1.181 0.114 14 0 "[ . 1 . 2 . 3]"
1 4 GLU 3.222 0.619 28 2 "[- . 1 . 2 . + 3]"
1 5 ALA 0.080 0.038 5 0 "[ . 1 . 2 . 3]"
1 6 VAL 4.831 0.190 5 0 "[ . 1 . 2 . 3]"
1 7 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 8 GLN 0.305 0.038 5 0 "[ . 1 . 2 . 3]"
1 9 GLN 1.092 0.068 16 0 "[ . 1 . 2 . 3]"
1 10 LYS 3.868 0.190 5 0 "[ . 1 . 2 . 3]"
1 11 CYS 0.020 0.020 23 0 "[ . 1 . 2 . 3]"
1 12 ILE 1.448 0.079 26 0 "[ . 1 . 2 . 3]"
1 13 SER 0.313 0.030 11 0 "[ . 1 . 2 . 3]"
1 14 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 15 HIS 0.154 0.041 8 0 "[ . 1 . 2 . 3]"
1 16 GLY 0.077 0.037 29 0 "[ . 1 . 2 . 3]"
1 17 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 18 ASP 0.179 0.024 26 0 "[ . 1 . 2 . 3]"
1 19 LEU 0.695 0.053 12 0 "[ . 1 . 2 . 3]"
1 20 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 21 GLY 0.202 0.083 29 0 "[ . 1 . 2 . 3]"
1 22 ALA 0.083 0.083 29 0 "[ . 1 . 2 . 3]"
1 23 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 24 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 25 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 26 ALA 0.119 0.026 20 0 "[ . 1 . 2 . 3]"
1 27 ILE 0.285 0.053 12 0 "[ . 1 . 2 . 3]"
1 28 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 29 LYS 0.063 0.015 1 0 "[ . 1 . 2 . 3]"
1 30 ALA 0.063 0.015 1 0 "[ . 1 . 2 . 3]"
1 31 GLY 2.449 0.180 10 0 "[ . 1 . 2 . 3]"
1 32 ALA 5.002 0.231 11 0 "[ . 1 . 2 . 3]"
1 33 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 34 TYR 2.114 0.107 29 0 "[ . 1 . 2 . 3]"
1 35 SER 0.699 0.066 15 0 "[ . 1 . 2 . 3]"
1 36 GLU 0.155 0.032 17 0 "[ . 1 . 2 . 3]"
1 37 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 38 GLU 1.044 0.066 15 0 "[ . 1 . 2 . 3]"
1 39 ILE 1.769 0.078 19 0 "[ . 1 . 2 . 3]"
1 40 LEU 2.755 0.113 15 0 "[ . 1 . 2 . 3]"
1 41 ASP 2.144 0.078 19 0 "[ . 1 . 2 . 3]"
1 42 ILE 5.153 0.113 15 0 "[ . 1 . 2 . 3]"
1 43 ILE 0.079 0.020 6 0 "[ . 1 . 2 . 3]"
1 44 LEU 3.361 0.138 9 0 "[ . 1 . 2 . 3]"
1 45 ASN 1.958 0.080 12 0 "[ . 1 . 2 . 3]"
1 46 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 47 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 50 MET 0.363 0.363 26 0 "[ . 1 . 2 . 3]"
1 51 PRO 1.172 0.066 18 0 "[ . 1 . 2 . 3]"
1 52 GLY 2.975 0.127 13 0 "[ . 1 . 2 . 3]"
1 53 GLY 1.837 0.127 13 0 "[ . 1 . 2 . 3]"
1 54 ILE 0.363 0.363 26 0 "[ . 1 . 2 . 3]"
1 55 ALA 0.009 0.006 14 0 "[ . 1 . 2 . 3]"
1 56 LYS 2.322 0.133 7 0 "[ . 1 . 2 . 3]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 58 ALA 0.128 0.041 17 0 "[ . 1 . 2 . 3]"
1 59 GLU 0.415 0.039 5 0 "[ . 1 . 2 . 3]"
1 60 ALA 3.211 0.138 9 0 "[ . 1 . 2 . 3]"
1 61 GLU 0.749 0.041 17 0 "[ . 1 . 2 . 3]"
1 62 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 63 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 64 ALA 0.003 0.003 22 0 "[ . 1 . 2 . 3]"
1 65 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 66 TRP 5.518 0.619 28 2 "[- . 1 . 2 . + 3]"
1 67 LEU 2.299 0.167 17 0 "[ . 1 . 2 . 3]"
1 68 ALA 0.108 0.024 4 0 "[ . 1 . 2 . 3]"
1 69 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 70 LYS 2.278 0.180 10 0 "[ . 1 . 2 . 3]"
1 71 LYS 3.404 0.231 11 0 "[ . 1 . 2 . 3]"
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 VAL HA 1 2 ASP H . . 3.400 2.088 2.023 2.148 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 1 VAL HB 1 2 ASP H . . 5.900 4.250 3.731 4.626 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 1 VAL HB 1 6 VAL QG . . 6.760 3.731 2.979 4.938 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 1 VAL HB 1 58 ALA MB . . 6.200 3.488 2.533 4.029 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 1 VAL HB 1 62 ALA MB . . 5.300 3.092 2.485 3.975 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 1 VAL QG 1 2 ASP H . . 7.760 2.858 2.271 3.172 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 1 VAL QG 1 6 VAL H . . 8.560 4.180 3.916 5.064 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 1 VAL QG 1 59 GLU HA . . 7.560 2.512 1.990 3.133 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 1 VAL QG 1 59 GLU QB . . 8.440 3.038 2.643 3.651 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 1 VAL QG 1 59 GLU HG3 . . 8.360 2.402 2.039 3.575 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 1 VAL QG 1 62 ALA MB . . 7.760 3.187 2.092 3.672 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 2 ASP H 1 3 ALA H . . 5.200 4.223 4.074 4.585 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 2 ASP H 1 3 ALA HA . . 5.300 5.318 4.803 5.414 0.114 14 0 "[ . 1 . 2 . 3]" 1
14 1 2 ASP H 1 5 ALA H . . 6.000 5.320 4.964 5.861 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 2 ASP H 1 5 ALA MB . . 5.800 3.869 3.287 4.399 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 2 ASP H 1 6 VAL QG . . 8.560 3.947 3.051 4.225 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 2 ASP HA 1 3 ALA H . . 3.400 2.151 2.090 2.419 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 2 ASP HA 1 3 ALA HA . . 6.000 4.382 4.157 4.449 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 2 ASP HA 1 3 ALA MB . . 5.500 3.955 3.888 4.009 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 2 ASP HA 1 4 GLU H . . 5.200 4.243 3.780 5.049 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 2 ASP HA 1 5 ALA H . . 6.000 4.413 4.262 4.918 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 2 ASP HA 1 5 ALA MB . . 7.000 4.291 4.147 4.535 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 2 ASP QB 1 4 GLU H . . 6.080 4.060 3.681 4.406 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 2 ASP QB 1 5 ALA H . . 5.140 2.936 2.527 3.394 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 2 ASP QB 1 5 ALA MB . . 5.810 2.050 1.947 2.356 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 2 ASP QB 1 6 VAL H . . 5.410 3.804 3.043 4.123 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 2 ASP HB2 1 3 ALA H . . 5.900 4.420 3.563 4.523 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 2 ASP HB2 1 5 ALA H . . 5.600 3.561 3.199 4.471 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 2 ASP HB2 1 5 ALA MB . . 6.400 2.254 2.018 3.484 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 2 ASP HB2 1 6 VAL H . . 6.000 4.158 3.161 5.550 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 2 ASP HB3 1 3 ALA H . . 5.900 3.926 2.649 4.448 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 2 ASP HB3 1 5 ALA H . . 5.600 3.152 2.617 3.765 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 2 ASP HB3 1 5 ALA MB . . 6.400 2.664 2.086 3.206 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 2 ASP HB3 1 6 VAL H . . 6.000 4.636 3.865 5.141 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 3 ALA H 1 3 ALA MB . . 3.400 2.201 2.159 2.418 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 3 ALA H 1 4 GLU H . . 4.200 3.100 2.670 3.269 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 3 ALA H 1 5 ALA H . . 5.800 4.296 3.426 4.424 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 3 ALA H 1 62 ALA MB . . 7.000 2.983 2.790 3.869 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 3 ALA HA 1 5 ALA H . . 5.600 4.504 4.305 4.691 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 3 ALA HA 1 6 VAL H . . 4.500 3.631 3.283 3.875 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 3 ALA HA 1 6 VAL HB . . 3.900 3.025 2.662 3.395 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 3 ALA HA 1 6 VAL MG1 . . 6.400 4.271 4.007 4.648 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 3 ALA HA 1 6 VAL QG . . 5.810 2.922 2.536 3.434 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 3 ALA HA 1 6 VAL MG2 . . 6.400 2.982 2.564 3.537 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 3 ALA HA 1 7 VAL H . . 5.600 4.325 3.947 4.732 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 3 ALA HA 1 7 VAL QG . . 7.860 4.005 3.719 4.256 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 3 ALA HA 1 62 ALA MB . . 7.000 2.711 2.326 3.116 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 3 ALA HA 1 63 VAL H . . 6.000 3.886 3.706 4.121 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 3 ALA HA 1 63 VAL QG . . 7.260 3.269 2.939 3.563 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 3 ALA MB 1 4 GLU H . . 4.000 2.347 2.114 2.661 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 3 ALA MB 1 5 ALA H . . 5.400 4.414 4.324 4.502 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 3 ALA MB 1 7 VAL QG . . 6.760 3.651 3.118 3.981 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 3 ALA MB 1 62 ALA HA . . 6.900 3.347 3.147 3.556 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 3 ALA MB 1 62 ALA MB . . 6.400 2.147 2.046 2.403 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 3 ALA MB 1 63 VAL H . . 7.000 3.618 3.147 4.149 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 3 ALA MB 1 63 VAL HA . . 5.100 2.398 2.079 3.147 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 3 ALA MB 1 66 TRP H . . 7.000 3.311 3.220 3.426 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 3 ALA MB 1 66 TRP HB2 . . 5.600 2.076 1.987 2.181 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 3 ALA MB 1 66 TRP HB3 . . 5.400 2.081 2.021 2.217 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 3 ALA MB 1 66 TRP HE3 . . 6.400 3.122 2.739 3.838 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 4 GLU H 1 4 GLU HB2 . . 3.700 3.593 3.499 3.674 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 4 GLU H 1 4 GLU QB . . 3.440 2.312 2.188 2.443 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 4 GLU H 1 4 GLU HB3 . . 3.700 2.340 2.211 2.480 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 4 GLU H 1 5 ALA H . . 3.900 2.701 2.291 2.832 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 4 GLU HA 1 5 ALA HA . . 6.000 4.839 4.796 4.868 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 4 GLU HA 1 7 VAL H . . 4.900 3.148 2.985 3.324 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 4 GLU HA 1 7 VAL HB . . 4.100 2.868 2.494 3.247 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 4 GLU HA 1 7 VAL MG1 . . 6.700 4.280 3.845 4.676 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 4 GLU HA 1 7 VAL QG . . 6.260 3.285 2.641 3.443 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 4 GLU HA 1 7 VAL MG2 . . 6.700 3.434 2.656 3.712 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 4 GLU HA 1 8 GLN H . . 5.500 3.724 3.406 4.056 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 4 GLU HA 1 66 TRP HH2 . . 5.600 3.529 2.892 4.701 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 4 GLU QB 1 5 ALA H . . 4.210 3.539 3.446 3.644 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 4 GLU QB 1 7 VAL HB . . 5.180 4.305 4.057 4.485 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 4 GLU HB2 1 5 ALA H . . 4.500 4.172 4.065 4.289 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 4 GLU HB2 1 66 TRP HH2 . . 6.000 4.181 3.199 5.546 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 4 GLU HB3 1 5 ALA H . . 4.500 3.829 3.667 3.968 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 4 GLU HB3 1 66 TRP HH2 . . 6.000 5.240 4.414 6.537 0.537 1 1 "[+ . 1 . 2 . 3]" 1
79 1 4 GLU QG 1 5 ALA H . . 5.690 2.326 2.206 2.467 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 4 GLU QG 1 8 GLN HB2 . . 3.980 3.560 3.485 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 4 GLU QG 1 8 GLN HB3 . . 4.980 4.522 4.498 4.548 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 4 GLU QG 1 66 TRP HH2 . . 6.380 5.739 4.885 6.999 0.619 28 1 "[ . 1 . 2 . + 3]" 1
83 1 4 GLU HG2 1 5 ALA H . . 6.000 2.417 2.307 2.572 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 4 GLU HG3 1 5 ALA H . . 6.000 3.037 2.798 3.341 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 5 ALA H 1 5 ALA MB . . 3.400 2.264 2.194 2.298 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 5 ALA H 1 6 VAL H . . 3.400 2.773 2.614 2.959 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 5 ALA H 1 6 VAL HA . . 6.000 5.471 5.312 5.619 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 5 ALA H 1 7 VAL H . . 5.600 4.307 4.192 4.417 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 5 ALA H 1 8 GLN H . . 5.700 4.734 4.578 4.828 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 5 ALA HA 1 7 VAL H . . 5.800 4.632 4.475 4.743 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 5 ALA HA 1 8 GLN H . . 4.500 3.637 3.319 3.912 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 5 ALA HA 1 8 GLN HB2 . . 3.800 2.315 2.162 2.562 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 5 ALA HA 1 8 GLN HB3 . . 3.900 3.724 3.516 3.938 0.038 5 0 "[ . 1 . 2 . 3]" 1
94 1 5 ALA HA 1 8 GLN HG2 . . 5.500 4.239 3.756 4.511 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 5 ALA HA 1 8 GLN QG . . 5.280 3.648 3.490 3.961 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 5 ALA HA 1 8 GLN HG3 . . 5.500 4.043 3.730 5.194 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 5 ALA MB 1 6 VAL H . . 3.700 2.511 2.380 2.736 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 5 ALA MB 1 6 VAL HA . . 5.800 4.038 3.925 4.141 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 5 ALA MB 1 6 VAL QG . . 9.160 3.327 3.166 3.463 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 5 ALA MB 1 8 GLN H . . 6.500 4.786 4.398 5.038 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 6 VAL H 1 6 VAL HB . . 3.600 2.587 2.444 2.730 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 6 VAL H 1 7 VAL H . . 3.900 3.008 2.850 3.117 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 6 VAL H 1 8 GLN H . . 4.400 4.342 3.948 4.436 0.036 16 0 "[ . 1 . 2 . 3]" 1
104 1 6 VAL H 1 63 VAL QG . . 8.560 4.538 4.293 4.762 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 6 VAL HA 1 8 GLN H . . 5.800 4.684 4.041 4.881 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 6 VAL HA 1 9 GLN H . . 4.500 3.699 3.531 3.820 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 6 VAL HA 1 9 GLN HB2 . . 4.100 4.113 3.821 4.168 0.068 16 0 "[ . 1 . 2 . 3]" 1
108 1 6 VAL HA 1 9 GLN HB3 . . 4.100 4.019 3.295 4.150 0.050 16 0 "[ . 1 . 2 . 3]" 1
109 1 6 VAL HA 1 10 LYS H . . 6.000 3.966 3.611 4.548 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 6 VAL HA 1 10 LYS HB2 . . 4.700 3.356 2.978 3.746 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 6 VAL HA 1 10 LYS QB . . 4.320 3.293 2.942 3.632 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 6 VAL HA 1 10 LYS HB3 . . 4.700 4.813 4.571 4.890 0.190 5 0 "[ . 1 . 2 . 3]" 1
113 1 6 VAL HA 1 10 LYS QD . . 5.680 3.910 2.546 5.132 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 6 VAL HA 1 10 LYS QE . . 7.000 4.739 3.731 5.623 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 6 VAL HB 1 7 VAL H . . 3.700 2.500 2.281 2.755 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 6 VAL HB 1 7 VAL QG . . 8.360 2.857 2.592 3.060 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 6 VAL HB 1 63 VAL QG . . 6.460 2.528 2.323 2.892 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 6 VAL QG 1 7 VAL H . . 6.570 3.129 2.947 3.281 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 6 VAL QG 1 7 VAL QG . . 9.020 2.569 2.260 2.815 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 6 VAL QG 1 10 LYS QD . . 9.040 2.829 2.184 3.765 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 6 VAL QG 1 10 LYS QE . . 9.560 3.525 2.709 4.237 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 6 VAL QG 1 54 ILE MG . . 7.560 3.824 3.575 4.162 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 6 VAL QG 1 55 ALA MB . . 6.960 2.387 2.233 2.559 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 6 VAL QG 1 59 GLU HA . . 6.130 2.874 2.386 3.170 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 6 VAL QG 1 59 GLU QB . . 6.240 3.440 2.431 3.662 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 6 VAL QG 1 62 ALA MB . . 8.660 3.374 2.974 3.684 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 6 VAL MG1 1 7 VAL H . . 6.900 3.293 3.066 3.502 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 6 VAL MG1 1 59 GLU HA . . 6.900 4.014 3.379 4.330 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 6 VAL MG1 1 59 GLU HB2 . . 7.450 4.752 4.121 5.058 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 6 VAL MG1 1 59 GLU HB3 . . 7.450 4.161 2.565 4.510 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 6 VAL MG2 1 7 VAL H . . 6.900 3.925 3.770 4.118 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 6 VAL MG2 1 59 GLU HA . . 6.900 2.946 2.439 3.265 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 6 VAL MG2 1 59 GLU HB2 . . 7.450 4.292 4.113 4.556 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 6 VAL MG2 1 59 GLU HB3 . . 7.450 4.371 3.174 4.683 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 7 VAL H 1 7 VAL HB . . 3.600 2.333 2.121 2.684 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 7 VAL H 1 8 GLN H . . 4.200 2.635 2.492 2.813 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 7 VAL H 1 9 GLN H . . 5.600 4.073 3.955 4.219 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 7 VAL H 1 63 VAL MG1 . . 7.000 4.694 4.586 4.874 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 7 VAL H 1 63 VAL QG . . 6.330 3.401 3.193 3.637 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 7 VAL H 1 63 VAL MG2 . . 7.000 3.492 3.257 3.775 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 7 VAL HA 1 9 GLN H . . 5.500 3.473 3.328 3.624 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 7 VAL HA 1 10 LYS H . . 4.500 3.008 2.781 3.318 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 7 VAL HA 1 11 CYS H . . 4.600 2.725 2.143 3.130 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 7 VAL HA 1 11 CYS HB2 . . 4.100 3.210 2.433 3.687 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 7 VAL HA 1 12 ILE H . . 6.000 3.951 3.649 4.148 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 7 VAL HB 1 8 GLN H . . 3.900 2.832 2.577 3.571 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 7 VAL HB 1 8 GLN QG . . 5.980 3.636 3.319 4.727 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 7 VAL HB 1 66 TRP HE3 . . 6.000 4.341 3.925 4.815 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 7 VAL HB 1 66 TRP HH2 . . 5.700 2.637 2.276 3.528 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 7 VAL QG 1 8 GLN H . . 6.570 3.299 3.017 3.717 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 7 VAL QG 1 11 CYS HB2 . . 6.190 1.986 1.898 2.125 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 7 VAL QG 1 11 CYS HB3 . . 6.380 2.953 2.555 3.271 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 7 VAL QG 1 19 LEU QD . . 6.520 1.753 1.700 1.803 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 7 VAL QG 1 19 LEU HG . . 6.560 3.272 2.093 3.938 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 7 VAL QG 1 27 ILE QG . . 7.310 4.132 3.888 4.399 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 7 VAL QG 1 63 VAL QG . . 8.720 1.763 1.699 1.832 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 7 VAL QG 1 66 TRP HE3 . . 6.280 2.793 2.440 3.162 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 7 VAL QG 1 66 TRP HH2 . . 6.410 2.269 1.990 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 7 VAL QG 1 67 LEU QD . . 7.720 2.464 1.804 3.194 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 7 VAL MG1 1 8 GLN H . . 7.000 3.574 3.129 4.315 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 7 VAL MG1 1 11 CYS H . . 7.000 3.504 2.994 4.066 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 7 VAL MG1 1 11 CYS HB2 . . 7.000 1.993 1.906 2.136 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 7 VAL MG1 1 11 CYS HB3 . . 7.000 3.012 2.573 3.424 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 7 VAL MG1 1 19 LEU MD1 . . 9.220 2.109 1.945 2.839 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 7 VAL MG1 1 19 LEU MD2 . . 9.220 1.909 1.784 2.133 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 7 VAL MG1 1 27 ILE HG12 . . 8.550 4.720 4.361 5.154 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 7 VAL MG1 1 27 ILE HG13 . . 8.550 4.858 4.555 5.189 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 7 VAL MG1 1 66 TRP HE3 . . 7.000 4.281 3.917 4.624 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 7 VAL MG1 1 66 TRP HH2 . . 6.700 2.319 2.006 3.393 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 7 VAL MG1 1 67 LEU MD1 . . 10.420 4.024 1.984 4.856 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 7 VAL MG1 1 67 LEU MD2 . . 10.420 3.062 2.369 4.527 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 7 VAL MG2 1 8 GLN H . . 7.000 3.928 3.597 4.144 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 7 VAL MG2 1 11 CYS H . . 7.000 4.401 3.860 5.054 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 7 VAL MG2 1 11 CYS HB2 . . 7.000 3.826 3.430 4.257 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 7 VAL MG2 1 11 CYS HB3 . . 7.000 4.332 3.969 4.906 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 7 VAL MG2 1 19 LEU MD1 . . 9.220 4.134 3.874 4.381 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 7 VAL MG2 1 19 LEU MD2 . . 9.220 3.982 3.656 4.359 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 7 VAL MG2 1 27 ILE HG12 . . 8.550 6.025 5.695 6.529 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 7 VAL MG2 1 27 ILE HG13 . . 8.550 6.587 6.330 6.890 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 7 VAL MG2 1 66 TRP HE3 . . 7.000 2.832 2.462 3.247 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 7 VAL MG2 1 66 TRP HH2 . . 6.700 3.516 3.272 3.796 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 7 VAL MG2 1 67 LEU MD1 . . 10.420 4.325 2.086 5.225 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 7 VAL MG2 1 67 LEU MD2 . . 10.420 3.337 2.366 5.018 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 8 GLN H 1 8 GLN HB2 . . 3.700 2.291 2.243 2.370 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 8 GLN H 1 8 GLN HB3 . . 4.200 3.512 3.482 3.612 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 8 GLN H 1 8 GLN HG2 . . 5.600 2.508 2.288 3.377 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 8 GLN H 1 8 GLN HG3 . . 5.600 3.692 3.520 4.020 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 8 GLN H 1 9 GLN H . . 3.800 2.795 2.298 2.941 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 8 GLN H 1 10 LYS H . . 6.000 4.192 3.816 4.382 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 8 GLN H 1 11 CYS H . . 6.000 4.816 4.702 4.906 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 8 GLN H 1 12 ILE MG . . 7.000 3.873 3.702 4.150 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 8 GLN HA 1 10 LYS H . . 6.000 4.639 4.217 4.896 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 8 GLN HA 1 12 ILE H . . 6.000 3.866 3.711 4.210 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 8 GLN HA 1 12 ILE HB . . 4.900 4.354 4.150 4.710 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 8 GLN HA 1 12 ILE QG . . 6.600 2.830 2.178 3.922 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 8 GLN HA 1 12 ILE MG . . 5.500 2.067 1.983 2.167 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 8 GLN HB2 1 9 GLN H . . 4.900 3.598 3.493 3.764 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 8 GLN HB2 1 12 ILE MG . . 5.500 4.548 4.458 4.601 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 8 GLN HB3 1 9 GLN H . . 4.600 4.277 4.201 4.427 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 8 GLN HB3 1 12 ILE MG . . 5.400 4.008 3.863 4.188 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 9 GLN H 1 9 GLN HB2 . . 3.900 2.732 2.632 2.886 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 9 GLN H 1 9 GLN QB . . 3.700 2.594 2.488 2.703 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 9 GLN H 1 9 GLN HB3 . . 3.900 3.258 2.752 3.434 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 9 GLN H 1 9 GLN HG2 . . 5.700 4.722 4.361 4.842 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 9 GLN H 1 9 GLN HG3 . . 5.700 4.394 4.175 4.890 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 9 GLN H 1 10 LYS H . . 4.100 1.958 1.934 2.010 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 9 GLN H 1 10 LYS HA . . 6.000 4.731 4.636 4.777 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 9 GLN H 1 11 CYS H . . 4.000 3.514 3.263 3.824 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 9 GLN H 1 12 ILE H . . 6.000 4.284 4.064 4.470 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 9 GLN H 1 12 ILE MG . . 7.000 4.154 3.472 4.394 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 9 GLN HA 1 11 CYS H . . 6.000 4.660 4.315 5.248 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 9 GLN HA 1 12 ILE MG . . 7.000 4.656 3.713 5.067 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 10 LYS H 1 10 LYS HB2 . . 3.800 2.308 2.122 2.539 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 10 LYS H 1 10 LYS QB . . 3.600 2.269 2.093 2.498 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 10 LYS H 1 10 LYS HB3 . . 3.800 3.367 2.980 3.716 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 10 LYS H 1 10 LYS QE . . 7.000 5.434 5.004 5.801 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 10 LYS H 1 12 ILE H . . 3.800 3.680 3.207 3.879 0.079 26 0 "[ . 1 . 2 . 3]" 1
218 1 10 LYS HA 1 54 ILE MG . . 7.000 3.517 3.297 3.938 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 10 LYS QB 1 11 CYS H . . 5.080 3.010 2.373 3.297 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 10 LYS QB 1 54 ILE MG . . 5.590 2.310 2.088 2.753 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 10 LYS HB2 1 11 CYS HA . . 6.000 5.148 4.373 5.586 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 10 LYS HB2 1 54 ILE MG . . 6.000 3.642 3.421 4.034 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 10 LYS HB3 1 11 CYS HA . . 6.000 4.375 3.885 4.660 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 10 LYS HB3 1 54 ILE MG . . 6.000 2.337 2.106 2.810 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 10 LYS QD 1 54 ILE MG . . 6.880 2.809 1.988 3.915 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 10 LYS QE 1 54 ILE HA . . 7.000 4.972 4.140 5.665 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 10 LYS QE 1 54 ILE QG . . 7.880 5.916 5.196 6.320 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 10 LYS QE 1 54 ILE MG . . 8.000 3.620 3.017 4.055 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 10 LYS QE 1 55 ALA HA . . 7.000 4.221 3.484 4.725 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 10 LYS QE 1 55 ALA MB . . 8.000 4.023 3.259 4.727 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 11 CYS H 1 12 ILE H . . 4.200 2.119 1.995 2.458 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 11 CYS H 1 12 ILE HB . . 6.000 5.620 5.459 6.020 0.020 23 0 "[ . 1 . 2 . 3]" 1
233 1 11 CYS H 1 12 ILE QG . . 7.000 3.378 3.150 4.059 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 11 CYS H 1 12 ILE MG . . 6.800 3.702 3.450 3.809 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 11 CYS H 1 13 SER H . . 5.600 3.652 3.412 4.195 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 11 CYS HA 1 13 SER H . . 6.000 3.871 3.768 4.016 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 11 CYS HA 1 15 HIS HD2 . . 5.400 3.103 2.904 3.241 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 11 CYS HA 1 54 ILE MD . . 7.000 4.502 4.002 5.408 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 11 CYS HA 1 54 ILE MG . . 7.000 3.811 3.516 4.035 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 11 CYS HB2 1 12 ILE H . . 5.100 2.595 2.403 2.779 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 11 CYS HB2 1 12 ILE MG . . 6.900 3.500 3.288 3.625 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 11 CYS HB2 1 15 HIS HD2 . . 5.900 3.855 3.541 4.318 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 11 CYS HB2 1 27 ILE QG . . 6.880 4.824 4.413 5.278 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 11 CYS HB3 1 12 ILE H . . 5.800 3.918 3.746 4.072 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 11 CYS HB3 1 15 HIS HB2 . . 4.200 3.463 3.112 3.701 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 11 CYS HB3 1 15 HIS HD2 . . 4.700 2.528 2.284 2.877 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 12 ILE H 1 12 ILE HB . . 3.600 3.625 3.616 3.644 0.044 12 0 "[ . 1 . 2 . 3]" 1
248 1 12 ILE H 1 12 ILE MG . . 4.300 2.152 1.984 2.238 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 12 ILE H 1 13 SER H . . 4.400 2.843 2.739 2.908 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 12 ILE H 1 13 SER HA . . 5.400 5.398 5.306 5.430 0.030 11 0 "[ . 1 . 2 . 3]" 1
251 1 12 ILE HA 1 14 CYS H . . 5.000 3.760 3.569 3.878 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 12 ILE HA 1 15 HIS H . . 4.600 3.283 2.938 3.473 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 12 ILE HA 1 15 HIS HB2 . . 3.600 2.942 2.514 3.288 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 12 ILE HA 1 15 HIS HB3 . . 5.000 4.175 3.831 4.539 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 12 ILE HA 1 17 GLY QA . . 6.080 4.040 3.546 4.337 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 12 ILE HB 1 12 ILE MD . . 3.700 2.263 2.227 2.332 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 12 ILE HB 1 13 SER H . . 5.400 3.877 3.811 4.048 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 12 ILE HB 1 17 GLY H . . 6.000 3.598 3.223 4.120 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 12 ILE HB 1 17 GLY QA . . 5.580 2.399 2.209 2.639 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 12 ILE QG 1 13 SER H . . 6.800 2.294 2.206 2.714 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 12 ILE QG 1 17 GLY QA . . 7.880 4.061 3.254 4.284 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 12 ILE MG 1 17 GLY HA2 . . 7.000 2.295 2.144 2.777 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 12 ILE MG 1 17 GLY QA . . 6.410 2.273 2.129 2.731 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 12 ILE MG 1 17 GLY HA3 . . 7.000 3.704 3.613 4.041 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 12 ILE MG 1 19 LEU H . . 7.000 3.325 2.870 3.868 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 12 ILE MG 1 19 LEU QD . . 9.070 2.127 1.869 2.402 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 13 SER H 1 14 CYS H . . 5.000 3.012 2.828 3.075 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 13 SER H 1 15 HIS H . . 5.100 4.329 4.149 4.435 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 13 SER HA 1 16 GLY H . . 5.900 4.841 4.610 4.959 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 13 SER QB 1 15 HIS H . . 6.880 4.501 4.343 5.340 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 13 SER HB2 1 14 CYS H . . 6.000 3.292 2.599 4.075 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 13 SER HB3 1 14 CYS H . . 6.000 3.438 2.623 4.295 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 14 CYS H 1 14 CYS HB3 . . 4.100 3.878 3.842 3.927 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 14 CYS H 1 15 HIS HA . . 5.800 4.699 4.651 4.765 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 14 CYS H 1 15 HIS HB2 . . 5.200 4.052 3.948 4.179 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 14 CYS H 1 15 HIS HD2 . . 6.000 3.908 3.816 4.002 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 14 CYS H 1 16 GLY H . . 4.400 3.392 3.199 3.546 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 14 CYS H 1 19 LEU QD . . 8.570 5.155 4.785 5.645 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 14 CYS HA 1 16 GLY H . . 6.000 4.021 3.951 4.125 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 14 CYS HA 1 23 SER H . . 4.900 3.396 3.054 3.638 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 14 CYS HA 1 24 ALA MB . . 7.000 4.084 3.908 4.287 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 14 CYS HB2 1 15 HIS H . . 5.400 2.798 2.730 2.892 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 14 CYS HB2 1 15 HIS HD2 . . 6.000 3.511 3.442 3.574 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 14 CYS HB2 1 24 ALA MB . . 5.000 2.567 2.369 2.864 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 14 CYS HB3 1 15 HIS H . . 4.500 3.997 3.954 4.051 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 14 CYS HB3 1 23 SER HB2 . . 6.000 3.165 2.278 4.293 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 14 CYS HB3 1 23 SER HB3 . . 5.200 2.987 2.230 3.649 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 14 CYS HB3 1 24 ALA MB . . 5.700 2.655 2.428 2.938 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 15 HIS H 1 15 HIS HD2 . . 6.000 2.767 2.683 2.847 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 15 HIS H 1 16 GLY H . . 4.400 2.743 2.645 2.833 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 15 HIS H 1 19 LEU QD . . 8.570 4.109 3.760 4.654 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 15 HIS H 1 24 ALA MB . . 7.000 3.456 3.326 3.703 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 15 HIS HA 1 16 GLY HA3 . . 6.000 4.525 4.408 4.577 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 15 HIS HA 1 23 SER H . . 5.600 3.771 3.581 4.030 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 15 HIS HA 1 24 ALA MB . . 5.600 2.246 2.142 2.383 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 15 HIS HA 1 27 ILE QG . . 6.180 4.443 4.302 4.646 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 15 HIS HA 1 27 ILE MG . . 7.000 5.104 4.915 5.543 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 15 HIS HB2 1 16 GLY H . . 4.900 3.488 3.383 3.619 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 15 HIS HB2 1 19 LEU HA . . 4.700 3.398 3.166 3.533 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 15 HIS HB2 1 19 LEU QD . . 8.570 2.245 2.039 2.738 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 15 HIS HB2 1 19 LEU HG . . 4.900 4.544 3.791 4.941 0.041 8 0 "[ . 1 . 2 . 3]" 1
302 1 15 HIS HB2 1 24 ALA MB . . 7.000 4.111 3.992 4.283 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 15 HIS HB2 1 27 ILE HG12 . . 5.300 4.241 3.867 4.471 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 15 HIS HB2 1 27 ILE QG . . 4.930 3.505 3.249 3.650 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 15 HIS HB2 1 27 ILE HG13 . . 5.300 3.740 3.492 3.930 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 15 HIS HB2 1 27 ILE MG . . 7.000 5.136 5.017 5.292 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 15 HIS HB3 1 16 GLY H . . 5.400 4.158 4.067 4.262 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 15 HIS HB3 1 19 LEU HA . . 4.900 2.467 2.373 2.560 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 15 HIS HB3 1 19 LEU HB3 . . 4.700 3.313 3.100 3.581 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 15 HIS HB3 1 19 LEU MD1 . . 7.000 4.420 2.190 5.384 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 15 HIS HB3 1 19 LEU QD . . 6.670 2.514 2.185 3.228 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 15 HIS HB3 1 19 LEU MD2 . . 7.000 3.086 2.305 5.046 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 15 HIS HB3 1 19 LEU HG . . 6.000 4.513 3.850 4.989 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 15 HIS HB3 1 24 ALA MB . . 7.000 3.884 3.817 3.962 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 15 HIS HB3 1 27 ILE MD . . 6.900 3.615 3.284 3.810 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 15 HIS HB3 1 27 ILE HG12 . . 5.500 3.791 3.498 4.029 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 15 HIS HB3 1 27 ILE QG . . 5.330 2.622 2.415 2.809 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 15 HIS HB3 1 27 ILE HG13 . . 5.500 2.675 2.462 2.882 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 15 HIS HD2 1 24 ALA MB . . 6.800 3.656 3.476 3.896 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 15 HIS HD2 1 27 ILE HG12 . . 6.000 4.019 3.715 4.162 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 15 HIS HD2 1 27 ILE QG . . 5.360 3.778 3.551 3.920 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 15 HIS HD2 1 27 ILE HG13 . . 6.000 4.602 4.387 4.822 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 15 HIS HD2 1 27 ILE MG . . 7.000 4.888 4.701 4.992 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 15 HIS ND1 1 25 PRO O . . 3.000 2.811 2.748 2.892 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 16 GLY H 1 17 GLY H . . 5.600 4.144 3.630 4.311 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 16 GLY H 1 19 LEU QD . . 8.570 4.241 3.861 4.881 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 16 GLY H 1 22 ALA MB . . 6.100 3.284 3.178 3.377 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 16 GLY HA2 1 18 ASP H . . 6.000 5.119 4.584 5.821 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 16 GLY HA2 1 19 LEU H . . 5.400 4.824 4.544 5.437 0.037 29 0 "[ . 1 . 2 . 3]" 1
330 1 16 GLY HA2 1 22 ALA MB . . 5.600 2.739 2.139 3.141 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 16 GLY HA3 1 18 ASP H . . 5.700 4.286 3.842 4.619 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 16 GLY HA3 1 19 LEU H . . 4.500 3.829 3.599 4.106 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 16 GLY HA3 1 20 THR H . . 6.000 4.178 4.014 4.362 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 16 GLY HA3 1 21 GLY H . . 5.100 3.662 3.473 3.810 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 16 GLY HA3 1 22 ALA MB . . 5.500 2.511 2.321 2.847 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 17 GLY H 1 18 ASP H . . 4.400 3.057 2.379 3.492 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 17 GLY H 1 19 LEU H . . 5.000 3.558 1.969 4.228 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 17 GLY QA 1 19 LEU H . . 5.210 3.622 3.406 3.769 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 17 GLY HA2 1 19 LEU H . . 5.800 3.995 3.769 4.140 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 17 GLY HA3 1 19 LEU H . . 5.800 4.148 3.805 4.337 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 18 ASP H 1 19 LEU HA . . 5.000 4.901 4.646 5.024 0.024 26 0 "[ . 1 . 2 . 3]" 1
342 1 18 ASP H 1 19 LEU QD . . 8.570 4.668 3.897 4.983 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 18 ASP H 1 20 THR MG . . 7.000 4.123 3.576 4.456 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 18 ASP HA 1 20 THR H . . 6.000 4.495 4.396 4.645 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 18 ASP HB2 1 19 LEU H . . 5.700 3.714 3.309 4.455 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 18 ASP HB2 1 20 THR H . . 6.000 3.176 2.704 4.783 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 18 ASP HB2 1 20 THR MG . . 7.000 2.419 2.146 3.895 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 18 ASP HB3 1 20 THR H . . 5.800 3.894 3.106 4.115 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 18 ASP HB3 1 20 THR HB . . 6.000 5.234 4.498 5.525 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 19 LEU HA 1 21 GLY H . . 4.800 3.062 2.914 3.301 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 19 LEU HA 1 27 ILE MD . . 7.000 4.021 3.571 4.224 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 19 LEU HA 1 27 ILE HG12 . . 6.000 5.401 5.111 5.686 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 19 LEU HA 1 27 ILE HG13 . . 6.000 3.896 3.664 4.112 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 19 LEU HA 1 27 ILE MG . . 6.700 5.612 5.554 5.667 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 19 LEU HB2 1 20 THR H . . 5.700 4.133 4.043 4.260 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 19 LEU HB2 1 27 ILE MD . . 6.700 3.291 2.907 3.544 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 19 LEU HB2 1 27 ILE HG12 . . 6.000 5.833 5.340 6.053 0.053 12 0 "[ . 1 . 2 . 3]" 1
358 1 19 LEU HB2 1 27 ILE QG . . 5.640 4.330 3.906 4.544 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 19 LEU HB2 1 27 ILE HG13 . . 6.000 4.465 4.015 4.705 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 19 LEU HB2 1 28 ASP HA . . 6.000 2.770 2.348 3.323 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 19 LEU HB2 1 28 ASP HB3 . . 5.800 2.912 2.338 4.207 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 19 LEU HB3 1 20 THR H . . 6.000 4.514 4.442 4.548 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 19 LEU HB3 1 27 ILE H . . 5.900 3.141 2.817 3.425 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 19 LEU HB3 1 27 ILE HB . . 5.200 4.735 4.204 4.980 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 19 LEU HB3 1 27 ILE MD . . 5.500 2.224 2.042 2.366 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 19 LEU HB3 1 27 ILE HG12 . . 5.300 4.167 3.743 4.361 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 19 LEU HB3 1 27 ILE QG . . 4.880 2.746 2.347 2.972 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 19 LEU HB3 1 27 ILE HG13 . . 5.300 2.786 2.371 3.027 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 19 LEU HB3 1 27 ILE MG . . 7.000 4.740 4.467 4.947 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 19 LEU HB3 1 28 ASP H . . 5.500 2.945 2.640 3.190 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 19 LEU HB3 1 28 ASP HA . . 4.900 3.491 3.098 3.737 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 19 LEU HB3 1 28 ASP HB2 . . 6.000 4.529 3.505 5.229 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 19 LEU HB3 1 28 ASP HB3 . . 5.100 3.846 3.375 5.090 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 19 LEU QD 1 20 THR H . . 8.570 4.322 3.831 4.507 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 19 LEU QD 1 21 GLY H . . 8.570 4.649 4.227 5.111 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 19 LEU QD 1 27 ILE H . . 8.570 4.239 4.073 4.411 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 19 LEU QD 1 27 ILE HB . . 7.170 4.769 4.359 5.192 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 19 LEU QD 1 27 ILE MD . . 6.420 2.074 1.844 2.531 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 19 LEU QD 1 27 ILE QG . . 5.960 2.991 2.605 3.329 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 19 LEU QD 1 27 ILE MG . . 9.570 4.614 4.405 4.919 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 19 LEU QD 1 28 ASP H . . 8.570 4.174 3.984 4.341 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 19 LEU QD 1 66 TRP HH2 . . 6.140 2.226 1.959 2.648 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 19 LEU QD 1 67 LEU QD . . 7.640 2.817 2.304 3.605 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 19 LEU MD1 1 27 ILE MD . . 7.000 2.829 2.180 3.230 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 19 LEU MD1 1 27 ILE HG12 . . 6.800 5.082 3.327 5.680 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 19 LEU MD1 1 27 ILE HG13 . . 6.800 4.442 2.740 4.993 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 19 LEU MD1 1 66 TRP HH2 . . 7.000 2.642 1.972 4.375 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 19 LEU MD1 1 67 LEU MD1 . . 10.240 4.291 2.978 5.355 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 19 LEU MD1 1 67 LEU MD2 . . 10.240 3.373 2.350 4.756 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 19 LEU MD2 1 27 ILE MD . . 7.000 2.350 1.857 3.552 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 19 LEU MD2 1 27 ILE HG12 . . 6.800 4.229 3.478 5.746 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 19 LEU MD2 1 27 ILE HG13 . . 6.800 3.618 2.888 5.067 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 19 LEU MD2 1 66 TRP HH2 . . 7.000 3.368 2.018 4.182 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 19 LEU MD2 1 67 LEU MD1 . . 10.240 4.389 2.821 5.128 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 19 LEU MD2 1 67 LEU MD2 . . 10.240 3.669 2.822 4.700 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 19 LEU HG 1 27 ILE QG . . 6.380 4.848 3.663 5.520 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 20 THR H 1 20 THR MG . . 4.500 2.496 2.145 2.643 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 20 THR H 1 21 GLY H . . 3.800 2.595 2.520 2.702 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 20 THR HA 1 26 ALA HA . . 3.700 3.294 3.105 3.476 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 20 THR HA 1 26 ALA MB . . 5.400 2.597 2.371 2.830 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 20 THR HA 1 28 ASP HB2 . . 5.400 4.589 3.306 5.162 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 20 THR HA 1 28 ASP HB3 . . 5.600 3.327 2.761 3.614 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 20 THR HB 1 21 GLY H . . 6.000 4.083 3.985 4.257 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 20 THR MG 1 21 GLY H . . 7.000 4.326 4.136 4.436 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 21 GLY H 1 22 ALA H . . 3.900 3.051 2.680 3.983 0.083 29 0 "[ . 1 . 2 . 3]" 1
406 1 21 GLY H 1 26 ALA HA . . 3.700 3.226 3.094 3.398 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 21 GLY H 1 26 ALA MB . . 7.000 4.190 3.965 4.380 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 21 GLY HA2 1 22 ALA H . . 3.500 2.324 2.204 2.423 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 21 GLY HA2 1 24 ALA H . . 4.400 3.518 3.380 3.783 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 21 GLY HA2 1 25 PRO HA . . 5.600 4.052 3.856 4.192 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 21 GLY HA2 1 26 ALA H . . 5.200 4.258 4.090 4.386 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 21 GLY HA2 1 26 ALA HA . . 3.100 3.034 2.820 3.126 0.026 20 0 "[ . 1 . 2 . 3]" 1
413 1 21 GLY HA2 1 26 ALA MB . . 7.000 4.231 3.957 4.379 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 21 GLY HA3 1 25 PRO HA . . 5.100 3.249 3.067 3.375 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 21 GLY HA3 1 26 ALA HA . . 4.600 2.659 2.545 2.889 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 21 GLY HA3 1 26 ALA MB . . 5.900 3.122 2.807 3.306 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 22 ALA H 1 23 SER H . . 4.300 2.843 2.507 3.099 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 22 ALA H 1 24 ALA H . . 3.800 2.940 2.090 3.324 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 22 ALA H 1 24 ALA MB . . 5.700 3.913 3.404 4.258 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 22 ALA MB 1 23 SER H . . 3.400 2.062 2.020 2.164 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 22 ALA MB 1 23 SER HA . . 6.500 4.074 4.019 4.139 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 22 ALA MB 1 24 ALA H . . 4.800 3.745 3.497 3.840 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 23 SER H 1 24 ALA H . . 3.800 2.419 2.262 2.532 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 23 SER H 1 24 ALA MB . . 5.500 3.752 3.605 3.850 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 23 SER HB2 1 24 ALA H . . 6.000 4.017 3.573 4.467 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 23 SER HB3 1 24 ALA H . . 5.700 4.102 3.709 4.447 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 24 ALA H 1 24 ALA MB . . 3.500 2.573 2.523 2.595 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 24 ALA MB 1 25 PRO HB2 . . 7.000 5.246 5.135 5.319 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 24 ALA MB 1 25 PRO HB3 . . 7.000 5.159 5.117 5.195 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 24 ALA MB 1 27 ILE MG . . 8.000 3.970 3.723 4.282 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 25 PRO HA 1 26 ALA H . . 3.500 2.377 2.327 2.403 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 25 PRO HA 1 26 ALA MB . . 5.300 4.090 3.989 4.145 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 25 PRO QB 1 26 ALA MB . . 7.380 3.904 3.841 3.975 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 25 PRO QD 1 27 ILE MG . . 7.880 4.000 3.772 4.311 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 25 PRO QG 1 26 ALA H . . 5.110 4.199 4.137 4.311 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 25 PRO QG 1 27 ILE MG . . 7.880 2.844 2.558 3.180 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 26 ALA H 1 26 ALA MB . . 3.400 2.213 2.166 2.226 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 26 ALA H 1 27 ILE MG . . 7.000 4.451 4.295 4.862 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 26 ALA HA 1 27 ILE HG12 . . 6.000 5.717 5.476 5.864 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 26 ALA HA 1 27 ILE QG . . 5.740 4.120 3.862 4.238 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 26 ALA HA 1 27 ILE HG13 . . 6.000 4.225 3.944 4.353 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 26 ALA HA 1 27 ILE MG . . 7.000 3.950 3.819 4.269 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 26 ALA HA 1 28 ASP H . . 4.400 3.444 3.279 3.550 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 26 ALA MB 1 27 ILE H . . 4.000 3.272 3.165 3.349 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 26 ALA MB 1 27 ILE MG . . 8.000 4.323 4.207 4.611 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 26 ALA MB 1 28 ASP H . . 4.300 3.303 3.158 3.417 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 26 ALA MB 1 28 ASP HB3 . . 5.200 3.900 2.818 4.336 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 26 ALA MB 1 29 LYS H . . 5.200 3.640 3.466 3.793 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 26 ALA MB 1 29 LYS QB . . 6.080 3.951 3.558 4.515 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 27 ILE H 1 27 ILE MD . . 5.600 3.464 3.280 3.567 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 27 ILE H 1 28 ASP H . . 3.500 2.038 1.984 2.172 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 27 ILE H 1 28 ASP HA . . 6.000 4.548 4.433 4.687 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 27 ILE H 1 28 ASP HB2 . . 6.000 5.265 4.136 5.611 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 27 ILE H 1 28 ASP HB3 . . 6.000 4.069 3.865 4.479 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 27 ILE HA 1 29 LYS H . . 4.900 3.393 3.114 3.644 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 27 ILE HA 1 30 ALA H . . 5.100 2.719 2.538 3.008 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 27 ILE HA 1 30 ALA HA . . 4.500 3.803 3.559 3.945 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 27 ILE HA 1 30 ALA MB . . 4.100 2.191 2.077 2.315 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 27 ILE HB 1 28 ASP H . . 5.300 4.463 4.309 4.548 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 27 ILE HB 1 30 ALA H . . 5.200 3.747 3.567 4.030 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 27 ILE HB 1 30 ALA MB . . 4.400 2.187 2.039 2.440 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 27 ILE MD 1 67 LEU MD1 . . 8.000 2.278 1.860 2.760 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 27 ILE MD 1 67 LEU MD2 . . 8.000 2.416 1.870 3.143 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 27 ILE QG 1 28 ASP H . . 5.790 3.616 3.443 3.833 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 27 ILE QG 1 30 ALA MB . . 7.880 3.961 3.818 4.200 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 27 ILE QG 1 63 VAL QG . . 8.340 5.479 5.373 5.547 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 27 ILE QG 1 67 LEU QD . . 7.850 3.670 3.302 4.027 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 27 ILE HG12 1 28 ASP H . . 6.000 5.166 4.990 5.345 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 27 ILE HG12 1 67 LEU MD1 . . 10.140 4.422 3.601 5.056 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 27 ILE HG12 1 67 LEU MD2 . . 10.140 4.799 3.749 5.491 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 27 ILE HG13 1 28 ASP H . . 6.000 3.693 3.509 3.928 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 27 ILE HG13 1 67 LEU MD1 . . 10.140 4.677 4.128 5.162 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 27 ILE HG13 1 67 LEU MD2 . . 10.140 4.874 4.092 5.410 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 27 ILE MG 1 28 ASP H . . 7.000 4.331 4.232 4.423 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 27 ILE MG 1 30 ALA H . . 7.000 4.330 4.084 4.595 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 27 ILE MG 1 30 ALA MB . . 7.100 2.585 2.180 2.835 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 27 ILE MG 1 67 LEU QD . . 9.570 4.001 3.402 4.423 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 27 ILE MG 1 67 LEU HG . . 7.000 5.737 5.517 6.045 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 28 ASP H 1 28 ASP HB3 . . 4.100 2.298 2.075 2.613 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 28 ASP H 1 29 LYS H . . 3.900 2.886 2.713 2.996 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 28 ASP H 1 30 ALA H . . 5.800 4.081 3.955 4.182 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 28 ASP HA 1 30 ALA H . . 5.600 4.025 3.844 4.263 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 28 ASP HA 1 67 LEU MD1 . . 7.000 3.741 2.852 5.204 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 28 ASP HA 1 67 LEU MD2 . . 7.000 3.604 2.846 4.079 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 28 ASP HB2 1 29 LYS H . . 6.000 3.904 3.332 4.418 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 28 ASP HB3 1 29 LYS H . . 5.500 3.545 2.484 3.849 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 28 ASP HB3 1 30 ALA H . . 6.000 5.369 4.728 5.577 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 29 LYS H 1 29 LYS HD2 . . 6.000 3.985 1.976 5.248 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 29 LYS H 1 29 LYS HD3 . . 6.000 3.999 2.469 5.054 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 29 LYS H 1 29 LYS QE . . 7.000 4.710 3.143 5.919 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 29 LYS H 1 30 ALA H . . 3.700 2.559 2.444 2.676 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 29 LYS H 1 30 ALA MB . . 4.900 4.149 4.088 4.192 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 29 LYS HA 1 32 ALA MB . . 5.900 3.372 2.953 3.865 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 29 LYS QB 1 30 ALA H . . 4.670 3.697 3.527 4.040 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 29 LYS HB2 1 30 ALA H . . 4.900 4.088 3.804 4.664 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 29 LYS HB3 1 30 ALA H . . 4.900 4.261 3.741 4.510 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 29 LYS QG 1 32 ALA MB . . 7.880 3.085 2.274 4.194 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 29 LYS HG2 1 30 ALA H . . 6.000 5.419 3.611 6.015 0.015 1 0 "[ . 1 . 2 . 3]" 1
499 1 29 LYS HG3 1 30 ALA H . . 6.000 5.263 3.504 5.891 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 30 ALA H 1 30 ALA MB . . 3.400 2.223 2.169 2.297 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 30 ALA H 1 31 GLY H . . 4.400 2.883 2.767 3.090 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 30 ALA H 1 32 ALA H . . 6.000 4.226 4.050 4.365 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 30 ALA HA 1 32 ALA H . . 5.100 3.970 3.788 4.092 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 30 ALA HA 1 33 ASN H . . 5.200 3.111 2.907 3.461 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 30 ALA HA 1 33 ASN HB2 . . 5.300 2.477 2.272 2.997 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 30 ALA HA 1 33 ASN HB3 . . 6.000 4.187 3.958 4.723 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 30 ALA HA 1 34 TYR H . . 6.000 3.508 3.213 3.812 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 30 ALA HA 1 34 TYR QD . . 7.800 3.529 2.850 4.182 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 30 ALA HA 1 34 TYR QE . . 8.000 4.282 3.007 5.044 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 30 ALA HA 1 39 ILE QG . . 6.500 4.698 4.505 5.016 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 30 ALA MB 1 31 GLY H . . 4.300 2.787 2.284 3.007 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 30 ALA MB 1 33 ASN H . . 6.700 4.432 4.281 4.568 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 30 ALA MB 1 34 TYR HB3 . . 6.600 4.768 4.530 5.076 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 30 ALA MB 1 34 TYR QD . . 8.400 2.534 2.126 2.976 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 30 ALA MB 1 34 TYR QE . . 9.000 3.678 2.527 4.339 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 30 ALA MB 1 39 ILE MD . . 6.900 2.542 2.251 2.708 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 30 ALA MB 1 39 ILE QG . . 8.000 2.620 2.425 2.880 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 30 ALA MB 1 39 ILE MG . . 6.400 3.348 2.920 3.773 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 30 ALA MB 1 67 LEU HB2 . . 6.100 5.016 3.974 5.181 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 30 ALA MB 1 67 LEU HB3 . . 5.000 3.912 2.726 4.190 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 30 ALA MB 1 67 LEU MD1 . . 7.100 2.336 1.860 4.076 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 30 ALA MB 1 67 LEU QD . . 6.670 1.986 1.856 2.187 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 30 ALA MB 1 67 LEU MD2 . . 7.100 3.589 1.917 4.483 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 31 GLY H 1 32 ALA H . . 4.000 2.826 2.653 3.000 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 31 GLY H 1 32 ALA HA . . 6.000 5.454 5.329 5.555 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 31 GLY H 1 32 ALA MB . . 5.600 4.566 4.392 4.669 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 31 GLY H 1 33 ASN H . . 5.200 4.299 4.055 4.514 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 31 GLY H 1 67 LEU HB3 . . 5.300 4.345 3.295 4.883 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 31 GLY H 1 68 ALA HA . . 4.200 4.069 3.804 4.224 0.024 4 0 "[ . 1 . 2 . 3]" 1
530 1 31 GLY H 1 70 LYS H . . 4.900 4.958 4.724 5.080 0.180 10 0 "[ . 1 . 2 . 3]" 1
531 1 31 GLY H 1 70 LYS QB . . 5.880 3.856 3.420 4.258 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 31 GLY H 1 71 LYS H . . 6.000 5.104 4.084 6.038 0.038 16 0 "[ . 1 . 2 . 3]" 1
533 1 31 GLY HA2 1 33 ASN H . . 5.500 4.545 4.159 4.737 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 31 GLY HA2 1 34 TYR H . . 4.700 3.763 3.536 3.988 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 31 GLY HA2 1 34 TYR HB3 . . 6.000 5.832 5.659 6.008 0.008 13 0 "[ . 1 . 2 . 3]" 1
536 1 31 GLY HA2 1 39 ILE MD . . 5.300 2.325 2.193 2.490 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 31 GLY HA2 1 68 ALA HA . . 3.800 2.263 2.161 2.486 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 31 GLY HA2 1 68 ALA MB . . 6.900 3.505 3.367 3.684 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 31 GLY HA3 1 33 ASN H . . 5.300 4.837 4.568 4.982 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 31 GLY HA3 1 34 TYR H . . 5.600 4.943 4.748 5.149 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 31 GLY HA3 1 68 ALA HA . . 3.100 2.239 2.131 2.359 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 31 GLY HA3 1 71 LYS QE . . 7.000 4.674 4.031 5.362 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 32 ALA H 1 32 ALA MB . . 3.400 2.298 2.239 2.334 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 32 ALA H 1 33 ASN H . . 3.800 2.400 2.267 2.566 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 32 ALA H 1 33 ASN HB2 . . 6.000 4.603 4.379 4.757 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 32 ALA H 1 34 TYR H . . 3.900 3.955 3.895 4.007 0.107 29 0 "[ . 1 . 2 . 3]" 1
547 1 32 ALA H 1 70 LYS QB . . 6.880 5.451 4.853 5.871 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 32 ALA H 1 71 LYS HA . . 3.600 3.712 3.607 3.831 0.231 11 0 "[ . 1 . 2 . 3]" 1
549 1 32 ALA H 1 71 LYS QB . . 6.880 2.519 1.917 2.878 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 32 ALA H 1 71 LYS QG . . 5.700 4.534 3.128 5.044 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 32 ALA HA 1 34 TYR H . . 5.500 4.639 4.410 4.978 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 32 ALA HA 1 71 LYS HA . . 6.000 5.128 4.523 5.826 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 32 ALA HA 1 71 LYS QD . . 7.000 2.520 2.141 3.196 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 32 ALA HA 1 71 LYS QE . . 7.000 4.585 3.882 5.232 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 32 ALA MB 1 33 ASN H . . 4.000 2.530 2.315 2.885 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 32 ALA MB 1 33 ASN HA . . 6.500 3.767 3.642 3.989 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 32 ALA MB 1 34 TYR H . . 7.000 4.540 4.407 4.729 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 32 ALA MB 1 71 LYS HA . . 5.700 3.467 2.912 3.956 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 32 ALA MB 1 71 LYS QD . . 6.500 3.311 2.233 3.930 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 32 ALA MB 1 71 LYS QG . . 6.600 3.722 2.960 4.056 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 33 ASN H 1 33 ASN HB2 . . 3.900 2.470 2.326 2.604 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 33 ASN H 1 34 TYR H . . 3.500 2.537 2.167 2.692 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 33 ASN H 1 34 TYR HA . . 6.000 5.282 4.926 5.380 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 33 ASN HB2 1 34 TYR H . . 5.000 2.728 2.432 2.934 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 33 ASN HB2 1 34 TYR QD . . 6.700 3.598 3.167 3.869 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 33 ASN HB3 1 34 TYR H . . 5.800 3.702 3.382 3.918 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 33 ASN HB3 1 34 TYR QD . . 7.400 3.588 3.273 3.928 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 33 ASN HB3 1 34 TYR QE . . 8.000 3.442 2.831 4.069 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 34 TYR H 1 34 TYR QE . . 7.000 5.114 4.657 5.449 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 34 TYR H 1 35 SER H . . 6.000 4.409 4.353 4.465 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 34 TYR HA 1 35 SER H . . 3.400 2.452 2.305 2.745 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 34 TYR HA 1 38 GLU HB2 . . 5.000 4.052 3.760 4.212 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 34 TYR HA 1 38 GLU HB3 . . 4.800 4.754 4.492 4.851 0.051 11 0 "[ . 1 . 2 . 3]" 1
574 1 34 TYR HA 1 38 GLU QG . . 6.880 3.858 3.100 4.634 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 34 TYR HB2 1 35 SER H . . 4.500 3.455 2.915 3.895 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 34 TYR HB2 1 38 GLU HB2 . . 4.500 3.385 2.939 3.631 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 34 TYR HB2 1 38 GLU HB3 . . 4.300 4.155 3.787 4.316 0.016 20 0 "[ . 1 . 2 . 3]" 1
578 1 34 TYR HB2 1 39 ILE H . . 5.800 4.308 3.921 4.588 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 34 TYR HB2 1 39 ILE MD . . 7.000 2.792 2.613 3.031 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 34 TYR HB2 1 39 ILE QG . . 6.700 2.474 2.298 2.722 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 34 TYR HB3 1 35 SER H . . 4.500 2.594 2.172 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 34 TYR HB3 1 38 GLU H . . 4.700 4.558 4.421 4.715 0.015 13 0 "[ . 1 . 2 . 3]" 1
583 1 34 TYR HB3 1 38 GLU HB2 . . 3.700 2.266 2.195 2.344 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 34 TYR HB3 1 38 GLU HB3 . . 4.300 2.774 2.536 2.957 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 34 TYR HB3 1 38 GLU HG2 . . 5.000 4.271 3.885 4.741 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 34 TYR HB3 1 38 GLU HG3 . . 5.000 3.382 2.652 4.259 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 34 TYR HB3 1 39 ILE H . . 5.100 4.085 3.913 4.304 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 34 TYR HB3 1 39 ILE MD . . 7.000 4.017 3.852 4.366 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 34 TYR QD 1 35 SER H . . 8.000 4.252 3.923 4.517 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 34 TYR QD 1 38 GLU HB2 . . 6.600 4.305 4.167 4.470 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 34 TYR QD 1 38 GLU HB3 . . 7.500 4.221 3.981 4.522 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 34 TYR QD 1 39 ILE MD . . 9.000 3.817 3.184 4.267 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 34 TYR QD 1 42 ILE QG . . 8.880 5.805 4.892 6.163 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 34 TYR QE 1 38 GLU HB2 . . 8.000 6.099 5.897 6.345 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 34 TYR QE 1 38 GLU QG . . 8.880 6.016 5.254 6.917 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 34 TYR QE 1 42 ILE MD . . 9.000 4.076 3.532 5.094 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 34 TYR QE 1 42 ILE QG . . 8.380 5.934 4.702 6.596 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 35 SER H 1 36 GLU H . . 4.600 4.565 4.408 4.632 0.032 17 0 "[ . 1 . 2 . 3]" 1
599 1 35 SER H 1 37 GLU H . . 6.000 5.149 4.803 5.527 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 35 SER H 1 38 GLU H . . 5.200 3.527 3.246 3.703 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 35 SER H 1 38 GLU HB2 . . 3.800 2.601 2.210 2.827 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 35 SER H 1 38 GLU HB3 . . 4.000 3.958 3.705 4.066 0.066 15 0 "[ . 1 . 2 . 3]" 1
603 1 35 SER H 1 38 GLU HG2 . . 6.000 3.676 2.817 4.364 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 35 SER H 1 38 GLU HG3 . . 6.000 2.667 2.227 3.183 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 35 SER H 1 39 ILE H . . 5.700 4.265 3.705 4.544 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 35 SER HA 1 36 GLU H . . 3.600 2.438 2.351 2.559 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 35 SER HA 1 36 GLU QG . . 7.000 4.556 4.024 5.865 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 35 SER HA 1 37 GLU H . . 5.300 4.616 4.448 4.994 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 35 SER HA 1 38 GLU H . . 6.000 4.814 4.695 4.986 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 35 SER HA 1 68 ALA MB . . 7.000 3.569 3.244 3.991 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 35 SER QB 1 36 GLU H . . 4.340 2.553 2.237 3.235 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 35 SER QB 1 36 GLU QG . . 7.780 3.564 3.092 4.886 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 35 SER QB 1 37 GLU H . . 5.040 3.067 2.699 3.795 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 35 SER QB 1 37 GLU QB . . 6.770 4.105 3.767 4.625 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 35 SER QB 1 37 GLU QG . . 7.750 2.290 1.997 3.117 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 35 SER QB 1 38 GLU H . . 5.350 3.154 2.792 3.694 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 35 SER QB 1 38 GLU HB2 . . 5.550 3.956 3.647 4.537 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 35 SER HB2 1 36 GLU H . . 4.900 3.645 2.432 3.966 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 35 SER HB2 1 37 GLU H . . 5.500 3.876 2.975 5.092 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 35 SER HB2 1 37 GLU HB2 . . 7.750 5.535 4.902 7.145 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 35 SER HB2 1 37 GLU HB3 . . 7.750 5.222 4.485 6.694 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 35 SER HB2 1 38 GLU H . . 5.900 3.583 2.884 4.924 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 35 SER HB2 1 38 GLU HB2 . . 6.000 4.295 3.744 5.280 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 35 SER HB3 1 36 GLU H . . 4.900 2.658 2.268 3.528 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 35 SER HB3 1 37 GLU H . . 5.500 3.314 2.733 4.692 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 35 SER HB3 1 37 GLU HB2 . . 7.750 5.643 4.904 6.762 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 35 SER HB3 1 37 GLU HB3 . . 7.750 4.942 4.256 6.083 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 35 SER HB3 1 38 GLU H . . 5.900 4.007 2.820 4.827 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 35 SER HB3 1 38 GLU HB2 . . 6.000 5.030 3.788 5.633 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 36 GLU H 1 36 GLU HB2 . . 3.800 3.574 2.831 3.689 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 36 GLU H 1 36 GLU QB . . 3.600 2.549 2.133 2.783 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 36 GLU H 1 36 GLU HB3 . . 3.800 2.614 2.207 2.900 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 36 GLU H 1 37 GLU H . . 4.400 2.907 2.676 3.203 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 36 GLU H 1 38 GLU H . . 6.000 4.500 4.266 4.763 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 36 GLU H 1 68 ALA MB . . 5.900 2.785 2.409 3.157 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 36 GLU HA 1 39 ILE H . . 4.800 3.491 3.366 3.639 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 36 GLU HA 1 39 ILE HB . . 3.500 2.669 2.492 2.883 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 36 GLU HA 1 39 ILE QG . . 6.000 3.765 3.308 4.025 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 36 GLU HA 1 39 ILE MG . . 5.500 4.017 3.838 4.227 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 36 GLU HA 1 64 ALA MB . . 5.400 2.755 2.482 3.107 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 36 GLU HA 1 68 ALA MB . . 5.100 2.740 2.458 2.998 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 36 GLU QB 1 37 GLU H . . 4.310 3.416 2.823 3.639 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 36 GLU QB 1 64 ALA MB . . 6.280 2.324 2.135 3.309 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 36 GLU QB 1 65 ALA HA . . 4.830 2.725 2.392 3.008 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 36 GLU QB 1 65 ALA MB . . 6.540 3.781 3.528 4.074 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 36 GLU QB 1 68 ALA H . . 5.980 3.701 3.359 3.925 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 36 GLU QB 1 68 ALA MB . . 5.880 2.038 1.932 2.155 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 36 GLU QB 1 69 GLU QB . . 7.250 5.805 5.773 5.852 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 36 GLU HB2 1 37 GLU H . . 4.500 3.741 3.346 4.112 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 36 GLU HB2 1 65 ALA HA . . 5.100 3.239 2.650 3.641 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 36 GLU HB2 1 65 ALA MB . . 6.700 4.125 3.911 4.414 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 36 GLU HB3 1 37 GLU H . . 4.500 4.034 2.876 4.311 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 36 GLU HB3 1 65 ALA HA . . 5.100 3.026 2.474 4.126 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 36 GLU HB3 1 65 ALA MB . . 6.700 4.426 3.985 5.043 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 36 GLU QG 1 37 GLU HA . . 6.400 4.036 3.369 4.618 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 36 GLU QG 1 37 GLU HG2 . . 6.400 3.937 3.174 4.869 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 36 GLU QG 1 37 GLU QG . . 6.140 3.796 3.121 4.509 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 36 GLU QG 1 37 GLU HG3 . . 6.400 5.141 4.611 5.555 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 36 GLU QG 1 65 ALA HA . . 6.700 3.924 3.560 4.285 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 37 GLU H 1 37 GLU HB2 . . 3.700 3.576 3.530 3.623 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 37 GLU H 1 37 GLU HB3 . . 3.700 2.578 2.342 2.742 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 37 GLU H 1 38 GLU H . . 4.200 3.015 2.853 3.449 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 37 GLU H 1 39 ILE H . . 5.400 4.384 4.202 4.730 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 37 GLU HA 1 40 LEU H . . 4.300 3.845 3.674 4.090 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 37 GLU HA 1 40 LEU HB2 . . 4.300 3.477 3.190 3.730 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 37 GLU HA 1 40 LEU HB3 . . 3.800 2.721 2.474 2.936 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 37 GLU HA 1 40 LEU MD1 . . 7.000 5.041 4.703 5.263 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 37 GLU HA 1 40 LEU MD2 . . 6.800 3.104 2.829 3.323 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 37 GLU HA 1 41 ASP H . . 5.200 3.951 3.824 4.147 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 37 GLU QB 1 38 GLU QG . . 5.750 3.974 3.824 4.181 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 37 GLU HB2 1 38 GLU H . . 4.400 3.513 3.270 3.753 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 37 GLU HB3 1 38 GLU H . . 4.400 3.994 3.838 4.126 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 37 GLU QG 1 38 GLU H . . 6.780 1.988 1.798 2.202 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 37 GLU QG 1 38 GLU HA . . 6.880 3.787 3.520 4.022 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 37 GLU QG 1 38 GLU HB2 . . 4.880 3.854 3.655 4.050 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 37 GLU QG 1 38 GLU QG . . 4.350 2.255 2.088 2.405 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 37 GLU HG2 1 38 GLU HG2 . . 5.650 3.742 2.274 5.594 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 37 GLU HG2 1 38 GLU HG3 . . 5.650 3.809 2.226 5.248 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 37 GLU HG3 1 38 GLU HG2 . . 5.650 3.151 2.316 4.298 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 37 GLU HG3 1 38 GLU HG3 . . 5.650 3.517 2.168 5.381 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 38 GLU H 1 38 GLU HB3 . . 3.900 3.563 3.532 3.602 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 38 GLU H 1 38 GLU HG2 . . 5.700 2.741 2.116 3.561 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 38 GLU H 1 38 GLU HG3 . . 5.700 2.837 2.042 3.545 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 38 GLU H 1 39 ILE H . . 4.300 2.652 2.477 2.763 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 38 GLU H 1 39 ILE HA . . 5.400 5.310 5.169 5.397 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 38 GLU H 1 39 ILE QG . . 6.400 4.207 3.863 4.554 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 38 GLU H 1 40 LEU H . . 4.300 4.225 4.051 4.318 0.018 10 0 "[ . 1 . 2 . 3]" 1
688 1 38 GLU HA 1 40 LEU H . . 6.000 4.727 4.636 4.828 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 38 GLU HA 1 41 ASP H . . 4.500 3.662 3.488 3.808 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 38 GLU HA 1 41 ASP HB2 . . 5.000 3.620 2.851 4.145 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 38 GLU HA 1 41 ASP HB3 . . 4.600 3.287 2.552 4.230 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 38 GLU HA 1 42 ILE H . . 6.000 4.121 3.984 4.806 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 38 GLU HB2 1 39 ILE H . . 3.600 2.408 2.281 2.520 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 38 GLU HB2 1 39 ILE HA . . 4.700 4.197 3.959 4.343 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 38 GLU HB2 1 39 ILE MD . . 4.900 4.232 3.979 4.484 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 38 GLU HB2 1 39 ILE QG . . 6.400 2.903 2.729 3.111 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 38 GLU HB2 1 42 ILE QG . . 6.880 5.762 5.477 6.169 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 38 GLU HB3 1 39 ILE H . . 4.600 3.497 3.351 3.626 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 38 GLU QG 1 39 ILE H . . 6.880 3.964 3.832 4.093 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 39 ILE H 1 39 ILE HB . . 3.400 2.461 2.332 2.575 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 39 ILE H 1 39 ILE MD . . 5.400 3.381 3.183 3.562 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 39 ILE H 1 41 ASP H . . 4.100 4.159 4.118 4.178 0.078 19 0 "[ . 1 . 2 . 3]" 1
703 1 39 ILE HA 1 41 ASP H . . 6.000 4.606 4.506 4.662 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 39 ILE HA 1 42 ILE H . . 4.600 3.437 3.308 3.605 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 39 ILE HA 1 42 ILE HB . . 4.100 2.504 2.407 2.622 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 39 ILE HA 1 42 ILE QG . . 5.280 4.243 4.041 4.485 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 39 ILE HA 1 42 ILE MG . . 7.000 3.575 3.330 3.738 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 39 ILE HA 1 43 ILE H . . 4.500 4.051 3.978 4.157 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 39 ILE HB 1 40 LEU H . . 3.900 2.504 2.403 2.593 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 39 ILE HB 1 42 ILE MG . . 7.000 5.859 5.679 5.887 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 39 ILE HB 1 64 ALA HA . . 5.100 2.942 2.863 3.072 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 39 ILE HB 1 64 ALA MB . . 4.700 3.143 2.735 3.448 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 39 ILE MD 1 67 LEU HB2 . . 6.200 3.638 2.586 4.139 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 39 ILE MD 1 67 LEU HB3 . . 7.000 2.273 2.128 2.585 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 39 ILE QG 1 40 LEU H . . 6.200 4.028 3.881 4.183 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 39 ILE QG 1 42 ILE MG . . 8.000 4.678 4.364 4.942 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 39 ILE QG 1 64 ALA HA . . 5.300 4.765 4.731 4.806 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 39 ILE MG 1 40 LEU H . . 7.000 3.374 3.126 3.609 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 39 ILE MG 1 40 LEU HA . . 7.000 3.716 3.391 4.016 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 39 ILE MG 1 43 ILE H . . 7.000 3.937 3.800 4.100 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 39 ILE MG 1 43 ILE MD . . 6.600 2.015 1.935 2.182 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 39 ILE MG 1 43 ILE QG . . 7.480 2.777 2.533 2.956 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 39 ILE MG 1 64 ALA HA . . 7.000 2.440 2.270 2.680 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 39 ILE MG 1 64 ALA MB . . 6.600 3.272 2.931 3.566 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 39 ILE MG 1 67 LEU HB2 . . 5.200 3.053 2.370 3.563 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 39 ILE MG 1 67 LEU HB3 . . 5.600 2.589 2.308 3.149 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 39 ILE MG 1 67 LEU HG . . 7.000 3.340 2.476 4.565 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 40 LEU H 1 40 LEU HB2 . . 3.500 2.353 2.292 2.410 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 40 LEU H 1 40 LEU HB3 . . 3.700 2.546 2.462 2.658 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 40 LEU H 1 41 ASP H . . 4.500 2.864 2.811 2.913 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 40 LEU H 1 42 ILE H . . 5.900 4.149 4.005 4.239 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 40 LEU H 1 64 ALA HA . . 5.600 3.975 3.669 4.296 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 40 LEU H 1 64 ALA MB . . 5.400 2.741 2.582 2.946 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 40 LEU HA 1 40 LEU MD1 . . 4.200 2.124 2.086 2.249 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 40 LEU HA 1 42 ILE H . . 6.000 4.515 3.857 4.610 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 40 LEU HA 1 43 ILE H . . 4.300 3.581 3.437 3.681 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 40 LEU HA 1 43 ILE QG . . 6.880 3.934 3.707 4.080 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 40 LEU HA 1 43 ILE MG . . 7.000 4.179 4.020 4.348 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 40 LEU HB2 1 41 ASP H . . 4.600 3.639 3.570 3.706 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 40 LEU HB2 1 42 ILE H . . 5.600 5.681 5.392 5.713 0.113 15 0 "[ . 1 . 2 . 3]" 1
741 1 40 LEU HB2 1 43 ILE H . . 6.000 5.749 5.646 5.830 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 40 LEU HB2 1 61 GLU HA . . 5.200 4.192 3.857 4.623 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 40 LEU HB2 1 64 ALA MB . . 4.600 2.044 1.962 2.088 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 40 LEU HB3 1 41 ASP H . . 3.800 2.258 2.170 2.319 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 40 LEU MD1 1 41 ASP H . . 7.000 4.368 4.208 4.566 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 40 LEU MD1 1 44 LEU MD1 . . 7.200 2.413 2.196 2.764 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 40 LEU MD1 1 60 ALA MB . . 6.000 2.017 1.965 2.102 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 40 LEU MD1 1 61 GLU H . . 6.500 3.049 2.969 3.114 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 40 LEU MD1 1 61 GLU HA . . 5.400 2.186 2.067 2.345 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 40 LEU MD1 1 61 GLU HB2 . . 6.900 4.244 4.103 4.346 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 40 LEU MD1 1 61 GLU HB3 . . 7.000 4.136 3.921 4.298 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 40 LEU MD1 1 61 GLU HG2 . . 6.300 3.003 2.495 3.239 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 40 LEU MD1 1 61 GLU QG . . 5.940 2.502 2.199 2.701 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 40 LEU MD1 1 61 GLU HG3 . . 6.300 2.685 2.437 2.893 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 40 LEU MD1 1 64 ALA H . . 7.000 3.397 3.123 3.599 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 40 LEU MD1 1 64 ALA MB . . 6.100 2.253 2.027 2.498 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 40 LEU MD2 1 41 ASP HA . . 6.000 4.702 4.256 5.006 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 40 LEU MD2 1 60 ALA MB . . 6.300 4.132 3.996 4.278 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 40 LEU MD2 1 61 GLU HA . . 6.400 3.131 2.680 3.540 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 40 LEU MD2 1 61 GLU HB2 . . 6.800 5.141 4.645 5.613 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 40 LEU MD2 1 61 GLU QG . . 5.780 2.798 2.288 3.319 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 40 LEU HG 1 41 ASP H . . 5.600 3.572 3.424 3.774 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 40 LEU HG 1 41 ASP HA . . 3.900 3.598 3.359 3.828 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 40 LEU HG 1 44 LEU MD1 . . 5.600 2.131 2.041 2.223 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 40 LEU HG 1 44 LEU HG . . 3.800 3.460 2.851 3.824 0.024 21 0 "[ . 1 . 2 . 3]" 1
766 1 40 LEU HG 1 60 ALA MB . . 6.900 3.896 3.478 4.186 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 41 ASP H 1 41 ASP HB2 . . 3.500 2.422 2.151 3.004 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 41 ASP H 1 41 ASP HB3 . . 3.700 2.833 2.190 3.441 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 41 ASP H 1 42 ILE H . . 3.700 2.734 2.654 2.836 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 41 ASP HA 1 43 ILE H . . 4.600 4.507 4.402 4.620 0.020 6 0 "[ . 1 . 2 . 3]" 1
771 1 41 ASP HA 1 44 LEU H . . 4.700 3.547 3.418 3.771 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 41 ASP HA 1 44 LEU HB2 . . 4.600 2.687 2.561 2.901 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 41 ASP HA 1 44 LEU QB . . 3.990 2.661 2.539 2.869 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 41 ASP HA 1 44 LEU HB3 . . 4.600 4.320 4.186 4.539 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 41 ASP HA 1 44 LEU MD1 . . 7.000 2.622 2.356 3.221 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 41 ASP HA 1 44 LEU HG . . 5.100 4.160 4.010 4.461 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 41 ASP HA 1 45 ASN H . . 5.800 3.954 3.735 4.075 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 41 ASP HB2 1 42 ILE H . . 4.700 3.733 3.163 4.327 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 41 ASP HB2 1 42 ILE HB . . 6.000 5.842 5.270 6.058 0.058 13 0 "[ . 1 . 2 . 3]" 1
780 1 42 ILE H 1 42 ILE HB . . 3.300 2.216 2.147 2.305 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 42 ILE H 1 42 ILE MD . . 5.300 3.380 2.413 3.836 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 42 ILE H 1 42 ILE HG12 . . 5.500 4.093 3.901 4.513 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 42 ILE H 1 42 ILE QG . . 4.950 2.883 2.548 3.615 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 42 ILE H 1 42 ILE HG13 . . 5.500 2.960 2.582 3.884 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 42 ILE H 1 43 ILE H . . 3.900 2.745 2.146 2.794 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 42 ILE H 1 43 ILE MD . . 7.000 4.796 4.141 5.268 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 42 ILE H 1 43 ILE QG . . 4.980 4.455 3.979 4.485 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 42 ILE H 1 44 LEU H . . 5.800 4.256 3.729 4.343 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 42 ILE H 1 44 LEU HG . . 6.000 5.964 5.423 6.036 0.036 3 0 "[ . 1 . 2 . 3]" 1
790 1 42 ILE HA 1 42 ILE MD . . 4.600 3.665 2.951 3.805 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 42 ILE HA 1 42 ILE QG . . 3.800 2.224 2.177 2.279 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 42 ILE HA 1 44 LEU H . . 6.000 4.551 4.455 4.683 . 0 0 "[ . 1 . 2 . 3]" 1
793 1 42 ILE HA 1 45 ASN H . . 5.000 3.371 3.255 3.505 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 42 ILE HA 1 45 ASN HB2 . . 3.200 2.692 2.623 2.748 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 42 ILE HA 1 45 ASN HB3 . . 4.100 4.163 4.139 4.180 0.080 12 0 "[ . 1 . 2 . 3]" 1
796 1 42 ILE HA 1 46 GLY H . . 4.500 2.753 2.550 3.208 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 42 ILE HA 1 47 GLN HB2 . . 6.000 4.596 4.334 4.967 . 0 0 "[ . 1 . 2 . 3]" 1
798 1 42 ILE HA 1 50 MET ME . . 7.000 4.397 4.271 4.618 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 42 ILE HB 1 42 ILE MD . . 3.700 2.319 2.198 2.427 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 42 ILE HB 1 43 ILE H . . 4.000 2.947 2.802 3.086 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 42 ILE MD 1 43 ILE H . . 7.000 4.760 4.393 4.960 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 42 ILE MD 1 45 ASN HB2 . . 7.000 5.630 4.726 5.872 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 42 ILE MD 1 45 ASN HB3 . . 7.000 6.621 5.822 6.886 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 42 ILE MD 1 47 GLN HB2 . . 6.400 3.424 2.592 4.423 . 0 0 "[ . 1 . 2 . 3]" 1
805 1 42 ILE MD 1 47 GLN HB3 . . 7.000 4.796 3.792 5.845 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 42 ILE MD 1 47 GLN HG2 . . 7.000 4.319 3.628 5.728 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 42 ILE QG 1 43 ILE H . . 6.880 4.453 4.326 4.629 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 42 ILE QG 1 47 GLN HB2 . . 6.580 2.871 2.408 3.400 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 42 ILE MG 1 43 ILE H . . 6.800 2.953 2.769 3.195 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 42 ILE MG 1 43 ILE HA . . 7.000 3.222 2.967 3.361 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 42 ILE MG 1 43 ILE MD . . 8.000 4.196 3.956 4.502 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 42 ILE MG 1 43 ILE QG . . 7.880 2.830 2.549 3.104 . 0 0 "[ . 1 . 2 . 3]" 1
813 1 42 ILE MG 1 43 ILE MG . . 8.000 4.670 4.452 4.818 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 42 ILE MG 1 44 LEU H . . 7.000 4.900 4.744 4.982 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 42 ILE MG 1 47 GLN HB2 . . 6.400 2.524 2.284 3.053 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 42 ILE MG 1 47 GLN HB3 . . 6.300 3.261 2.551 3.712 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 42 ILE MG 1 50 MET ME . . 6.200 2.256 2.072 2.476 . 0 0 "[ . 1 . 2 . 3]" 1
818 1 43 ILE H 1 43 ILE HB . . 3.600 2.402 2.364 2.443 . 0 0 "[ . 1 . 2 . 3]" 1
819 1 43 ILE H 1 43 ILE MD . . 5.000 3.124 2.959 3.444 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 43 ILE H 1 43 ILE HG12 . . 5.100 3.663 3.584 3.743 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 43 ILE H 1 43 ILE HG13 . . 5.100 2.239 2.194 2.324 . 0 0 "[ . 1 . 2 . 3]" 1
822 1 43 ILE H 1 44 LEU H . . 4.100 2.707 2.630 2.757 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 43 ILE H 1 44 LEU QB . . 6.380 4.615 4.530 4.702 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 43 ILE H 1 44 LEU HG . . 5.600 4.611 4.477 4.695 . 0 0 "[ . 1 . 2 . 3]" 1
825 1 43 ILE H 1 45 ASN H . . 5.100 4.046 3.973 4.111 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 43 ILE H 1 50 MET ME . . 7.000 3.919 3.710 4.140 . 0 0 "[ . 1 . 2 . 3]" 1
827 1 43 ILE HA 1 43 ILE QG . . 3.990 2.389 2.335 2.453 . 0 0 "[ . 1 . 2 . 3]" 1
828 1 43 ILE HA 1 45 ASN H . . 4.500 4.412 4.242 4.518 0.018 5 0 "[ . 1 . 2 . 3]" 1
829 1 43 ILE HA 1 50 MET ME . . 5.100 2.275 2.098 2.406 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 43 ILE HB 1 44 LEU H . . 4.200 2.479 2.402 2.589 . 0 0 "[ . 1 . 2 . 3]" 1
831 1 43 ILE HB 1 44 LEU HG . . 4.700 3.248 3.071 3.374 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 43 ILE HB 1 50 MET ME . . 7.000 4.639 4.422 4.785 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 43 ILE MD 1 44 LEU H . . 7.000 4.231 4.038 4.347 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 43 ILE MD 1 50 MET ME . . 8.000 4.332 4.050 4.519 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 43 ILE MD 1 63 VAL HB . . 6.000 2.190 2.041 2.344 . 0 0 "[ . 1 . 2 . 3]" 1
836 1 43 ILE MD 1 63 VAL MG1 . . 6.700 1.896 1.800 2.081 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 43 ILE MD 1 63 VAL QG . . 6.020 1.866 1.791 2.040 . 0 0 "[ . 1 . 2 . 3]" 1
838 1 43 ILE MD 1 63 VAL MG2 . . 6.700 2.908 2.421 3.274 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 43 ILE MD 1 64 ALA H . . 6.100 3.201 2.905 3.533 . 0 0 "[ . 1 . 2 . 3]" 1
840 1 43 ILE MD 1 64 ALA HA . . 6.200 3.286 2.958 3.709 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 43 ILE QG 1 44 LEU H . . 5.640 4.107 4.018 4.166 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 43 ILE QG 1 50 MET ME . . 6.180 2.905 2.610 3.077 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 43 ILE QG 1 63 VAL QG . . 9.040 2.947 2.556 3.299 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 43 ILE QG 1 64 ALA MB . . 7.780 4.861 4.402 5.275 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 43 ILE HG12 1 44 LEU H . . 6.000 5.037 4.940 5.114 . 0 0 "[ . 1 . 2 . 3]" 1
846 1 43 ILE HG13 1 44 LEU H . . 6.000 4.353 4.254 4.412 . 0 0 "[ . 1 . 2 . 3]" 1
847 1 43 ILE MG 1 44 LEU H . . 7.000 3.233 3.144 3.324 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 43 ILE MG 1 44 LEU HA . . 6.900 3.336 3.153 3.511 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 43 ILE MG 1 44 LEU HG . . 7.000 3.402 3.216 3.667 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 43 ILE MG 1 50 MET ME . . 7.700 3.526 3.308 3.685 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 43 ILE MG 1 54 ILE H . . 7.000 3.682 3.399 4.082 . 0 0 "[ . 1 . 2 . 3]" 1
852 1 43 ILE MG 1 54 ILE HB . . 7.000 3.168 2.761 3.533 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 43 ILE MG 1 54 ILE MG . . 8.000 3.789 3.427 3.997 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 43 ILE MG 1 55 ALA H . . 5.800 2.632 2.492 2.842 . 0 0 "[ . 1 . 2 . 3]" 1
855 1 43 ILE MG 1 55 ALA MB . . 5.700 2.084 1.932 2.177 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 43 ILE MG 1 60 ALA HA . . 6.500 2.571 2.291 2.970 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 43 ILE MG 1 60 ALA MB . . 6.500 2.240 2.096 2.474 . 0 0 "[ . 1 . 2 . 3]" 1
858 1 43 ILE MG 1 63 VAL HB . . 7.000 3.446 3.156 3.816 . 0 0 "[ . 1 . 2 . 3]" 1
859 1 43 ILE MG 1 63 VAL QG . . 9.560 2.941 2.648 3.264 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 44 LEU H 1 44 LEU QB . . 3.710 2.342 2.316 2.381 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 44 LEU H 1 44 LEU MD1 . . 4.300 3.386 3.210 3.578 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 44 LEU H 1 44 LEU HG . . 4.800 2.382 2.303 2.469 . 0 0 "[ . 1 . 2 . 3]" 1
863 1 44 LEU H 1 45 ASN H . . 4.000 2.669 2.622 2.708 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 44 LEU H 1 46 GLY H . . 5.100 4.523 4.171 4.752 . 0 0 "[ . 1 . 2 . 3]" 1
865 1 44 LEU HA 1 44 LEU HG . . 3.900 2.961 2.845 3.071 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 44 LEU HA 1 46 GLY H . . 6.000 5.323 4.810 5.663 . 0 0 "[ . 1 . 2 . 3]" 1
867 1 44 LEU HA 1 52 GLY QA . . 6.880 4.708 4.154 5.032 . 0 0 "[ . 1 . 2 . 3]" 1
868 1 44 LEU HA 1 53 GLY H . . 3.400 3.081 2.632 3.324 . 0 0 "[ . 1 . 2 . 3]" 1
869 1 44 LEU HA 1 55 ALA H . . 6.000 4.325 4.257 4.431 . 0 0 "[ . 1 . 2 . 3]" 1
870 1 44 LEU HA 1 60 ALA MB . . 6.100 3.872 3.693 4.069 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 44 LEU QB 1 45 ASN H . . 4.370 2.719 2.581 2.885 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 44 LEU QB 1 55 ALA H . . 6.880 6.171 6.125 6.208 . 0 0 "[ . 1 . 2 . 3]" 1
873 1 44 LEU HB2 1 45 ASN H . . 4.600 2.793 2.641 2.978 . 0 0 "[ . 1 . 2 . 3]" 1
874 1 44 LEU HB3 1 45 ASN H . . 4.600 3.738 3.627 3.874 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 44 LEU MD1 1 45 ASN H . . 6.800 4.559 4.380 4.784 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 44 LEU MD1 1 60 ALA MB . . 7.800 3.062 2.945 3.164 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 44 LEU MD2 1 53 GLY H . . 7.000 4.771 4.394 4.984 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 44 LEU MD2 1 53 GLY HA2 . . 7.000 3.696 3.404 4.058 . 0 0 "[ . 1 . 2 . 3]" 1
879 1 44 LEU MD2 1 53 GLY HA3 . . 7.000 5.069 4.733 5.473 . 0 0 "[ . 1 . 2 . 3]" 1
880 1 44 LEU MD2 1 55 ALA HA . . 7.000 5.357 5.214 5.499 . 0 0 "[ . 1 . 2 . 3]" 1
881 1 44 LEU MD2 1 56 LYS HA . . 7.000 2.025 1.943 2.125 . 0 0 "[ . 1 . 2 . 3]" 1
882 1 44 LEU MD2 1 56 LYS QB . . 6.480 2.945 2.154 3.409 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 44 LEU MD2 1 56 LYS QD . . 8.000 3.243 1.943 4.149 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 44 LEU MD2 1 57 GLY H . . 7.000 2.328 2.104 2.561 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 44 LEU MD2 1 60 ALA H . . 7.000 3.992 3.807 4.268 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 44 LEU MD2 1 60 ALA MB . . 6.600 2.219 2.027 2.580 . 0 0 "[ . 1 . 2 . 3]" 1
887 1 44 LEU HG 1 45 ASN H . . 5.300 4.585 4.490 4.711 . 0 0 "[ . 1 . 2 . 3]" 1
888 1 44 LEU HG 1 53 GLY H . . 6.000 5.763 5.363 6.026 0.026 11 0 "[ . 1 . 2 . 3]" 1
889 1 44 LEU HG 1 55 ALA H . . 6.000 5.828 5.649 6.006 0.006 14 0 "[ . 1 . 2 . 3]" 1
890 1 44 LEU HG 1 56 LYS HA . . 4.800 4.028 3.736 4.221 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 44 LEU HG 1 60 ALA H . . 5.300 5.399 5.367 5.438 0.138 9 0 "[ . 1 . 2 . 3]" 1
892 1 44 LEU HG 1 60 ALA MB . . 5.300 2.420 2.317 2.587 . 0 0 "[ . 1 . 2 . 3]" 1
893 1 45 ASN H 1 46 GLY H . . 3.700 2.457 2.330 2.583 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 45 ASN H 1 46 GLY HA2 . . 6.000 4.701 4.562 4.791 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 45 ASN H 1 46 GLY QA . . 5.320 4.357 4.250 4.429 . 0 0 "[ . 1 . 2 . 3]" 1
896 1 45 ASN H 1 46 GLY HA3 . . 6.000 5.150 5.069 5.213 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 45 ASN HA 1 52 GLY QA . . 5.080 4.010 3.423 4.261 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 45 ASN HB2 1 46 GLY H . . 4.900 2.431 2.290 2.728 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 46 GLY H 1 47 GLN H . . 6.000 4.104 3.270 4.438 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 46 GLY H 1 50 MET ME . . 7.000 3.654 3.409 3.997 . 0 0 "[ . 1 . 2 . 3]" 1
901 1 46 GLY H 1 52 GLY HA2 . . 4.100 3.650 3.060 4.048 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 46 GLY H 1 52 GLY QA . . 3.710 3.179 2.877 3.317 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 46 GLY H 1 52 GLY HA3 . . 4.100 3.555 3.108 4.057 . 0 0 "[ . 1 . 2 . 3]" 1
904 1 46 GLY QA 1 50 MET HG2 . . 6.880 2.704 2.393 3.774 . 0 0 "[ . 1 . 2 . 3]" 1
905 1 46 GLY QA 1 52 GLY H . . 5.100 3.284 2.745 3.697 . 0 0 "[ . 1 . 2 . 3]" 1
906 1 46 GLY QA 1 52 GLY QA . . 4.970 2.200 2.035 2.429 . 0 0 "[ . 1 . 2 . 3]" 1
907 1 46 GLY HA2 1 50 MET ME . . 7.000 2.730 2.375 3.107 . 0 0 "[ . 1 . 2 . 3]" 1
908 1 46 GLY HA2 1 52 GLY H . . 5.700 3.595 3.190 4.617 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 46 GLY HA2 1 52 GLY HA2 . . 6.350 2.609 2.390 3.064 . 0 0 "[ . 1 . 2 . 3]" 1
910 1 46 GLY HA2 1 52 GLY HA3 . . 6.350 2.755 2.357 4.003 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 46 GLY HA3 1 50 MET ME . . 7.000 4.330 3.989 4.681 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 46 GLY HA3 1 52 GLY H . . 5.700 4.071 2.843 4.617 . 0 0 "[ . 1 . 2 . 3]" 1
913 1 46 GLY HA3 1 52 GLY HA2 . . 6.350 3.601 2.909 4.119 . 0 0 "[ . 1 . 2 . 3]" 1
914 1 46 GLY HA3 1 52 GLY HA3 . . 6.350 2.811 2.456 3.313 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 47 GLN H 1 48 GLY H . . 6.000 4.256 3.706 4.688 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 47 GLN H 1 50 MET H . . 5.500 3.417 2.612 4.328 . 0 0 "[ . 1 . 2 . 3]" 1
917 1 47 GLN H 1 50 MET HB2 . . 4.900 3.764 3.577 4.164 . 0 0 "[ . 1 . 2 . 3]" 1
918 1 47 GLN H 1 50 MET HB3 . . 4.200 2.143 1.973 2.624 . 0 0 "[ . 1 . 2 . 3]" 1
919 1 47 GLN H 1 50 MET ME . . 7.000 3.933 2.748 4.523 . 0 0 "[ . 1 . 2 . 3]" 1
920 1 47 GLN H 1 50 MET HG2 . . 6.000 3.389 2.940 3.894 . 0 0 "[ . 1 . 2 . 3]" 1
921 1 47 GLN HA 1 48 GLY QA . . 4.580 4.047 3.964 4.109 . 0 0 "[ . 1 . 2 . 3]" 1
922 1 47 GLN HB2 1 48 GLY H . . 6.000 4.095 3.543 4.679 . 0 0 "[ . 1 . 2 . 3]" 1
923 1 47 GLN HG2 1 48 GLY QA . . 6.880 4.882 3.882 5.232 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 47 GLN HG3 1 48 GLY H . . 5.300 2.714 2.278 3.527 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 48 GLY H 1 49 GLY H . . 6.000 3.996 3.214 4.556 . 0 0 "[ . 1 . 2 . 3]" 1
926 1 48 GLY QA 1 50 MET H . . 6.880 3.733 3.614 3.894 . 0 0 "[ . 1 . 2 . 3]" 1
927 1 49 GLY H 1 50 MET H . . 4.500 2.770 1.941 3.103 . 0 0 "[ . 1 . 2 . 3]" 1
928 1 49 GLY H 1 50 MET HA . . 5.300 5.065 4.612 5.258 . 0 0 "[ . 1 . 2 . 3]" 1
929 1 50 MET ME 1 52 GLY QA . . 7.880 2.899 2.447 3.926 . 0 0 "[ . 1 . 2 . 3]" 1
930 1 50 MET ME 1 54 ILE H . . 7.000 4.227 3.822 4.632 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 50 MET ME 1 54 ILE HB . . 7.000 3.619 3.334 3.873 . 0 0 "[ . 1 . 2 . 3]" 1
932 1 50 MET ME 1 54 ILE QG . . 7.880 3.834 2.956 4.256 . 0 0 "[ . 1 . 2 . 3]" 1
933 1 50 MET ME 1 54 ILE MG . . 8.000 4.135 4.001 4.340 . 0 0 "[ . 1 . 2 . 3]" 1
934 1 50 MET ME 1 55 ALA MB . . 8.000 5.292 5.020 5.522 . 0 0 "[ . 1 . 2 . 3]" 1
935 1 50 MET HG2 1 54 ILE MD . . 7.000 3.575 2.528 7.363 0.363 26 0 "[ . 1 . 2 . 3]" 1
936 1 50 MET HG3 1 54 ILE MD . . 7.000 3.397 2.474 6.383 . 0 0 "[ . 1 . 2 . 3]" 1
937 1 51 PRO HA 1 52 GLY H . . 3.500 3.266 2.232 3.566 0.066 18 0 "[ . 1 . 2 . 3]" 1
938 1 51 PRO HA 1 52 GLY HA2 . . 6.000 5.101 4.444 5.313 . 0 0 "[ . 1 . 2 . 3]" 1
939 1 51 PRO HA 1 52 GLY QA . . 5.550 4.244 3.882 4.365 . 0 0 "[ . 1 . 2 . 3]" 1
940 1 51 PRO HA 1 52 GLY HA3 . . 6.000 4.551 4.282 4.644 . 0 0 "[ . 1 . 2 . 3]" 1
941 1 51 PRO QG 1 52 GLY H . . 5.500 2.822 2.149 4.691 . 0 0 "[ . 1 . 2 . 3]" 1
942 1 52 GLY H 1 53 GLY H . . 4.300 4.360 4.328 4.427 0.127 13 0 "[ . 1 . 2 . 3]" 1
943 1 52 GLY QA 1 54 ILE H . . 6.880 3.025 2.690 3.367 . 0 0 "[ . 1 . 2 . 3]" 1
944 1 53 GLY H 1 54 ILE H . . 4.500 2.517 2.350 2.649 . 0 0 "[ . 1 . 2 . 3]" 1
945 1 53 GLY H 1 55 ALA H . . 5.600 4.010 3.747 4.167 . 0 0 "[ . 1 . 2 . 3]" 1
946 1 53 GLY HA2 1 55 ALA H . . 5.800 3.342 3.140 3.517 . 0 0 "[ . 1 . 2 . 3]" 1
947 1 53 GLY HA2 1 56 LYS QE . . 7.000 3.187 2.102 5.174 . 0 0 "[ . 1 . 2 . 3]" 1
948 1 53 GLY HA3 1 56 LYS QD . . 6.800 4.057 2.937 5.227 . 0 0 "[ . 1 . 2 . 3]" 1
949 1 53 GLY HA3 1 56 LYS QE . . 7.000 3.391 2.236 5.369 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 53 GLY HA3 1 56 LYS QG . . 6.800 3.952 2.942 6.029 . 0 0 "[ . 1 . 2 . 3]" 1
951 1 54 ILE H 1 54 ILE HB . . 3.700 2.262 2.180 2.390 . 0 0 "[ . 1 . 2 . 3]" 1
952 1 54 ILE H 1 54 ILE HG12 . . 5.700 3.375 2.186 3.914 . 0 0 "[ . 1 . 2 . 3]" 1
953 1 54 ILE H 1 54 ILE HG13 . . 5.700 2.694 2.080 3.691 . 0 0 "[ . 1 . 2 . 3]" 1
954 1 54 ILE H 1 55 ALA H . . 3.900 2.600 2.511 2.778 . 0 0 "[ . 1 . 2 . 3]" 1
955 1 54 ILE HB 1 55 ALA H . . 4.200 2.894 2.498 3.085 . 0 0 "[ . 1 . 2 . 3]" 1
956 1 54 ILE MD 1 55 ALA H . . 7.000 4.601 4.198 4.999 . 0 0 "[ . 1 . 2 . 3]" 1
957 1 54 ILE QG 1 55 ALA H . . 6.880 4.289 3.983 4.393 . 0 0 "[ . 1 . 2 . 3]" 1
958 1 54 ILE MG 1 55 ALA H . . 7.000 3.508 3.291 3.679 . 0 0 "[ . 1 . 2 . 3]" 1
959 1 54 ILE MG 1 55 ALA HA . . 7.000 4.105 3.876 4.295 . 0 0 "[ . 1 . 2 . 3]" 1
960 1 54 ILE MG 1 55 ALA MB . . 6.600 3.059 2.854 3.266 . 0 0 "[ . 1 . 2 . 3]" 1
961 1 55 ALA H 1 56 LYS H . . 5.600 4.292 4.229 4.347 . 0 0 "[ . 1 . 2 . 3]" 1
962 1 55 ALA H 1 60 ALA MB . . 6.500 4.038 3.930 4.200 . 0 0 "[ . 1 . 2 . 3]" 1
963 1 55 ALA HA 1 56 LYS H . . 3.200 2.362 2.273 2.435 . 0 0 "[ . 1 . 2 . 3]" 1
964 1 55 ALA HA 1 56 LYS QD . . 7.000 5.538 3.322 6.273 . 0 0 "[ . 1 . 2 . 3]" 1
965 1 55 ALA HA 1 59 GLU QB . . 5.880 3.259 2.675 3.630 . 0 0 "[ . 1 . 2 . 3]" 1
966 1 55 ALA MB 1 56 LYS H . . 3.900 2.915 2.707 3.111 . 0 0 "[ . 1 . 2 . 3]" 1
967 1 55 ALA MB 1 56 LYS HA . . 5.600 4.001 3.897 4.167 . 0 0 "[ . 1 . 2 . 3]" 1
968 1 55 ALA MB 1 59 GLU HA . . 7.000 4.009 3.815 4.160 . 0 0 "[ . 1 . 2 . 3]" 1
969 1 55 ALA MB 1 59 GLU HB2 . . 6.300 3.684 2.792 3.855 . 0 0 "[ . 1 . 2 . 3]" 1
970 1 55 ALA MB 1 59 GLU QB . . 5.900 2.295 1.947 2.501 . 0 0 "[ . 1 . 2 . 3]" 1
971 1 55 ALA MB 1 59 GLU HB3 . . 6.300 2.318 1.987 2.534 . 0 0 "[ . 1 . 2 . 3]" 1
972 1 55 ALA MB 1 59 GLU HG3 . . 7.000 3.466 2.555 3.812 . 0 0 "[ . 1 . 2 . 3]" 1
973 1 55 ALA MB 1 60 ALA H . . 6.200 3.186 2.990 3.374 . 0 0 "[ . 1 . 2 . 3]" 1
974 1 55 ALA MB 1 60 ALA HA . . 5.600 2.746 2.392 2.906 . 0 0 "[ . 1 . 2 . 3]" 1
975 1 56 LYS H 1 56 LYS HB2 . . 3.700 3.013 2.637 3.823 0.123 8 0 "[ . 1 . 2 . 3]" 1
976 1 56 LYS H 1 56 LYS HB3 . . 3.700 3.719 3.200 3.833 0.133 7 0 "[ . 1 . 2 . 3]" 1
977 1 56 LYS H 1 59 GLU H . . 4.300 4.131 3.859 4.317 0.017 11 0 "[ . 1 . 2 . 3]" 1
978 1 56 LYS H 1 59 GLU HB2 . . 4.600 3.134 2.056 3.455 . 0 0 "[ . 1 . 2 . 3]" 1
979 1 56 LYS H 1 59 GLU QB . . 4.420 2.137 1.968 2.281 . 0 0 "[ . 1 . 2 . 3]" 1
980 1 56 LYS H 1 59 GLU HB3 . . 4.600 2.231 2.025 3.309 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 56 LYS H 1 60 ALA H . . 4.600 3.520 3.217 3.722 . 0 0 "[ . 1 . 2 . 3]" 1
982 1 56 LYS H 1 60 ALA MB . . 4.600 3.661 3.461 3.831 . 0 0 "[ . 1 . 2 . 3]" 1
983 1 56 LYS HA 1 60 ALA H . . 5.800 3.336 3.031 3.668 . 0 0 "[ . 1 . 2 . 3]" 1
984 1 56 LYS HA 1 60 ALA MB . . 4.100 2.371 2.114 2.628 . 0 0 "[ . 1 . 2 . 3]" 1
985 1 56 LYS QB 1 57 GLY H . . 4.980 2.606 2.314 3.362 . 0 0 "[ . 1 . 2 . 3]" 1
986 1 56 LYS QB 1 60 ALA H . . 6.280 4.746 4.596 4.897 . 0 0 "[ . 1 . 2 . 3]" 1
987 1 56 LYS QB 1 60 ALA MB . . 7.180 4.066 3.592 4.347 . 0 0 "[ . 1 . 2 . 3]" 1
988 1 57 GLY H 1 58 ALA H . . 5.600 4.615 4.599 4.638 . 0 0 "[ . 1 . 2 . 3]" 1
989 1 57 GLY H 1 59 GLU H . . 6.000 4.829 4.444 5.239 . 0 0 "[ . 1 . 2 . 3]" 1
990 1 57 GLY H 1 60 ALA H . . 6.000 3.840 3.727 4.000 . 0 0 "[ . 1 . 2 . 3]" 1
991 1 57 GLY QA 1 60 ALA H . . 5.790 4.022 3.926 4.095 . 0 0 "[ . 1 . 2 . 3]" 1
992 1 57 GLY QA 1 60 ALA MB . . 5.480 3.964 3.780 4.069 . 0 0 "[ . 1 . 2 . 3]" 1
993 1 57 GLY QA 1 61 GLU H . . 5.150 4.128 4.020 4.248 . 0 0 "[ . 1 . 2 . 3]" 1
994 1 57 GLY HA2 1 59 GLU H . . 5.600 4.595 4.258 5.060 . 0 0 "[ . 1 . 2 . 3]" 1
995 1 57 GLY HA2 1 60 ALA H . . 6.000 4.502 4.383 4.600 . 0 0 "[ . 1 . 2 . 3]" 1
996 1 57 GLY HA2 1 61 GLU H . . 6.000 4.371 4.234 4.517 . 0 0 "[ . 1 . 2 . 3]" 1
997 1 57 GLY HA3 1 59 GLU H . . 5.600 3.709 3.509 4.149 . 0 0 "[ . 1 . 2 . 3]" 1
998 1 57 GLY HA3 1 60 ALA H . . 6.000 4.528 4.431 4.596 . 0 0 "[ . 1 . 2 . 3]" 1
999 1 57 GLY HA3 1 61 GLU H . . 6.000 5.073 4.983 5.167 . 0 0 "[ . 1 . 2 . 3]" 1
1000 1 58 ALA H 1 58 ALA MB . . 3.600 2.223 2.182 2.235 . 0 0 "[ . 1 . 2 . 3]" 1
1001 1 58 ALA H 1 59 GLU H . . 4.400 3.027 2.912 3.139 . 0 0 "[ . 1 . 2 . 3]" 1
1002 1 58 ALA H 1 60 ALA H . . 6.000 4.728 4.573 4.921 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 58 ALA HA 1 60 ALA H . . 6.000 4.691 4.481 4.842 . 0 0 "[ . 1 . 2 . 3]" 1
1004 1 58 ALA HA 1 61 GLU H . . 4.300 3.577 3.395 3.727 . 0 0 "[ . 1 . 2 . 3]" 1
1005 1 58 ALA HA 1 61 GLU HB2 . . 4.100 2.260 2.172 2.423 . 0 0 "[ . 1 . 2 . 3]" 1
1006 1 58 ALA HA 1 61 GLU HB3 . . 3.800 3.773 3.664 3.841 0.041 17 0 "[ . 1 . 2 . 3]" 1
1007 1 58 ALA HA 1 61 GLU QG . . 6.480 3.663 3.402 3.988 . 0 0 "[ . 1 . 2 . 3]" 1
1008 1 58 ALA HA 1 62 ALA H . . 4.700 3.510 3.344 3.667 . 0 0 "[ . 1 . 2 . 3]" 1
1009 1 58 ALA MB 1 59 GLU H . . 4.000 2.708 2.501 3.214 . 0 0 "[ . 1 . 2 . 3]" 1
1010 1 58 ALA MB 1 59 GLU HA . . 5.300 3.938 3.847 4.254 . 0 0 "[ . 1 . 2 . 3]" 1
1011 1 58 ALA MB 1 60 ALA H . . 6.700 4.848 4.736 5.200 . 0 0 "[ . 1 . 2 . 3]" 1
1012 1 59 GLU H 1 59 GLU QB . . 3.810 2.098 2.029 2.331 . 0 0 "[ . 1 . 2 . 3]" 1
1013 1 59 GLU H 1 59 GLU HG2 . . 5.600 4.497 3.861 4.657 . 0 0 "[ . 1 . 2 . 3]" 1
1014 1 59 GLU H 1 59 GLU HG3 . . 4.800 4.202 3.597 4.412 . 0 0 "[ . 1 . 2 . 3]" 1
1015 1 59 GLU H 1 60 ALA H . . 3.800 2.824 2.544 3.058 . 0 0 "[ . 1 . 2 . 3]" 1
1016 1 59 GLU H 1 60 ALA HA . . 6.000 5.400 5.125 5.546 . 0 0 "[ . 1 . 2 . 3]" 1
1017 1 59 GLU H 1 60 ALA MB . . 5.500 4.492 4.211 4.629 . 0 0 "[ . 1 . 2 . 3]" 1
1018 1 59 GLU H 1 61 GLU H . . 5.200 4.014 3.590 4.415 . 0 0 "[ . 1 . 2 . 3]" 1
1019 1 59 GLU HA 1 61 GLU H . . 4.700 4.708 4.620 4.739 0.039 5 0 "[ . 1 . 2 . 3]" 1
1020 1 59 GLU HA 1 62 ALA H . . 4.500 3.930 3.756 4.074 . 0 0 "[ . 1 . 2 . 3]" 1
1021 1 59 GLU HA 1 62 ALA MB . . 4.100 2.999 2.792 3.286 . 0 0 "[ . 1 . 2 . 3]" 1
1022 1 59 GLU HA 1 63 VAL H . . 5.500 4.168 3.783 4.418 . 0 0 "[ . 1 . 2 . 3]" 1
1023 1 59 GLU QB 1 60 ALA H . . 4.010 2.347 2.137 2.563 . 0 0 "[ . 1 . 2 . 3]" 1
1024 1 59 GLU QB 1 60 ALA HA . . 6.580 3.981 3.642 4.123 . 0 0 "[ . 1 . 2 . 3]" 1
1025 1 59 GLU HB2 1 60 ALA H . . 4.200 3.521 2.491 3.748 . 0 0 "[ . 1 . 2 . 3]" 1
1026 1 59 GLU HB3 1 60 ALA H . . 4.200 2.414 2.159 3.236 . 0 0 "[ . 1 . 2 . 3]" 1
1027 1 60 ALA H 1 60 ALA MB . . 3.400 2.214 2.140 2.241 . 0 0 "[ . 1 . 2 . 3]" 1
1028 1 60 ALA H 1 61 GLU H . . 3.900 2.508 2.446 2.625 . 0 0 "[ . 1 . 2 . 3]" 1
1029 1 60 ALA H 1 61 GLU HB2 . . 5.900 4.571 4.482 4.629 . 0 0 "[ . 1 . 2 . 3]" 1
1030 1 60 ALA H 1 61 GLU HB3 . . 6.000 6.005 5.929 6.025 0.025 5 0 "[ . 1 . 2 . 3]" 1
1031 1 60 ALA H 1 61 GLU QG . . 6.880 4.162 4.009 4.623 . 0 0 "[ . 1 . 2 . 3]" 1
1032 1 60 ALA H 1 62 ALA H . . 4.600 4.233 4.154 4.351 . 0 0 "[ . 1 . 2 . 3]" 1
1033 1 60 ALA HA 1 62 ALA H . . 5.700 4.598 4.427 4.762 . 0 0 "[ . 1 . 2 . 3]" 1
1034 1 60 ALA HA 1 63 VAL H . . 4.600 3.359 3.174 3.667 . 0 0 "[ . 1 . 2 . 3]" 1
1035 1 60 ALA HA 1 63 VAL HB . . 4.100 2.563 2.315 2.997 . 0 0 "[ . 1 . 2 . 3]" 1
1036 1 60 ALA HA 1 63 VAL MG1 . . 7.000 4.004 3.599 4.445 . 0 0 "[ . 1 . 2 . 3]" 1
1037 1 60 ALA HA 1 63 VAL MG2 . . 7.000 2.766 2.395 3.258 . 0 0 "[ . 1 . 2 . 3]" 1
1038 1 60 ALA HA 1 64 ALA H . . 5.600 3.853 3.729 4.039 . 0 0 "[ . 1 . 2 . 3]" 1
1039 1 60 ALA MB 1 61 GLU H . . 3.800 2.612 2.515 2.718 . 0 0 "[ . 1 . 2 . 3]" 1
1040 1 60 ALA MB 1 61 GLU HB2 . . 7.000 4.680 4.443 4.761 . 0 0 "[ . 1 . 2 . 3]" 1
1041 1 60 ALA MB 1 61 GLU QG . . 7.780 3.322 3.207 3.619 . 0 0 "[ . 1 . 2 . 3]" 1
1042 1 60 ALA MB 1 62 ALA H . . 6.200 4.725 4.622 4.790 . 0 0 "[ . 1 . 2 . 3]" 1
1043 1 61 GLU H 1 61 GLU HB2 . . 3.500 2.421 2.265 2.481 . 0 0 "[ . 1 . 2 . 3]" 1
1044 1 61 GLU H 1 61 GLU HB3 . . 3.700 3.570 3.519 3.607 . 0 0 "[ . 1 . 2 . 3]" 1
1045 1 61 GLU H 1 62 ALA H . . 4.700 2.802 2.720 2.869 . 0 0 "[ . 1 . 2 . 3]" 1
1046 1 61 GLU H 1 63 VAL H . . 4.400 4.238 4.111 4.333 . 0 0 "[ . 1 . 2 . 3]" 1
1047 1 61 GLU HA 1 63 VAL H . . 6.000 4.712 4.526 4.820 . 0 0 "[ . 1 . 2 . 3]" 1
1048 1 61 GLU HA 1 64 ALA H . . 4.700 3.580 3.263 3.824 . 0 0 "[ . 1 . 2 . 3]" 1
1049 1 61 GLU HB2 1 62 ALA H . . 4.100 2.390 2.259 2.537 . 0 0 "[ . 1 . 2 . 3]" 1
1050 1 61 GLU HB3 1 62 ALA H . . 4.400 3.391 3.060 3.514 . 0 0 "[ . 1 . 2 . 3]" 1
1051 1 61 GLU QG 1 62 ALA H . . 5.740 4.098 4.041 4.247 . 0 0 "[ . 1 . 2 . 3]" 1
1052 1 61 GLU QG 1 64 ALA MB . . 7.580 4.290 3.832 4.597 . 0 0 "[ . 1 . 2 . 3]" 1
1053 1 61 GLU HG2 1 62 ALA H . . 6.000 4.977 4.851 5.048 . 0 0 "[ . 1 . 2 . 3]" 1
1054 1 61 GLU HG3 1 62 ALA H . . 6.000 4.363 4.289 4.604 . 0 0 "[ . 1 . 2 . 3]" 1
1055 1 62 ALA H 1 62 ALA MB . . 3.400 2.233 2.192 2.260 . 0 0 "[ . 1 . 2 . 3]" 1
1056 1 62 ALA H 1 63 VAL H . . 3.800 2.866 2.733 2.932 . 0 0 "[ . 1 . 2 . 3]" 1
1057 1 62 ALA H 1 64 ALA H . . 5.700 4.418 4.198 4.622 . 0 0 "[ . 1 . 2 . 3]" 1
1058 1 62 ALA HA 1 64 ALA H . . 6.000 4.757 4.474 5.000 . 0 0 "[ . 1 . 2 . 3]" 1
1059 1 62 ALA HA 1 65 ALA H . . 4.400 3.849 3.581 4.025 . 0 0 "[ . 1 . 2 . 3]" 1
1060 1 62 ALA HA 1 65 ALA MB . . 4.800 3.003 2.797 3.275 . 0 0 "[ . 1 . 2 . 3]" 1
1061 1 62 ALA HA 1 66 TRP H . . 5.300 3.885 3.754 4.047 . 0 0 "[ . 1 . 2 . 3]" 1
1062 1 62 ALA MB 1 63 VAL H . . 3.700 2.435 2.346 2.558 . 0 0 "[ . 1 . 2 . 3]" 1
1063 1 62 ALA MB 1 63 VAL HA . . 5.600 3.939 3.881 4.012 . 0 0 "[ . 1 . 2 . 3]" 1
1064 1 63 VAL H 1 63 VAL HB . . 3.400 2.626 2.472 2.778 . 0 0 "[ . 1 . 2 . 3]" 1
1065 1 63 VAL H 1 64 ALA H . . 3.800 3.005 2.879 3.120 . 0 0 "[ . 1 . 2 . 3]" 1
1066 1 63 VAL H 1 64 ALA HA . . 6.000 5.546 5.447 5.626 . 0 0 "[ . 1 . 2 . 3]" 1
1067 1 63 VAL H 1 65 ALA H . . 5.700 4.666 4.571 4.852 . 0 0 "[ . 1 . 2 . 3]" 1
1068 1 63 VAL HA 1 65 ALA H . . 5.200 4.842 4.704 4.955 . 0 0 "[ . 1 . 2 . 3]" 1
1069 1 63 VAL HA 1 66 TRP H . . 4.500 3.829 3.557 4.078 . 0 0 "[ . 1 . 2 . 3]" 1
1070 1 63 VAL HA 1 66 TRP HB3 . . 4.200 2.736 2.451 2.954 . 0 0 "[ . 1 . 2 . 3]" 1
1071 1 63 VAL HA 1 66 TRP HE3 . . 5.400 2.538 2.118 3.027 . 0 0 "[ . 1 . 2 . 3]" 1
1072 1 63 VAL HA 1 67 LEU H . . 5.300 3.777 3.245 4.027 . 0 0 "[ . 1 . 2 . 3]" 1
1073 1 63 VAL HB 1 64 ALA H . . 3.900 2.391 2.278 2.641 . 0 0 "[ . 1 . 2 . 3]" 1
1074 1 63 VAL QG 1 64 ALA H . . 6.520 2.972 2.774 3.236 . 0 0 "[ . 1 . 2 . 3]" 1
1075 1 63 VAL QG 1 64 ALA HA . . 8.560 3.005 2.775 3.348 . 0 0 "[ . 1 . 2 . 3]" 1
1076 1 63 VAL QG 1 66 TRP H . . 8.560 4.551 4.360 4.725 . 0 0 "[ . 1 . 2 . 3]" 1
1077 1 63 VAL QG 1 67 LEU H . . 8.560 3.577 3.089 3.867 . 0 0 "[ . 1 . 2 . 3]" 1
1078 1 63 VAL QG 1 67 LEU HB2 . . 8.160 2.619 2.135 3.322 . 0 0 "[ . 1 . 2 . 3]" 1
1079 1 63 VAL QG 1 67 LEU QD . . 8.730 2.631 1.864 3.626 . 0 0 "[ . 1 . 2 . 3]" 1
1080 1 63 VAL QG 1 67 LEU HG . . 6.760 3.288 2.602 4.752 . 0 0 "[ . 1 . 2 . 3]" 1
1081 1 63 VAL MG1 1 64 ALA H . . 7.000 3.092 2.841 3.447 . 0 0 "[ . 1 . 2 . 3]" 1
1082 1 63 VAL MG2 1 64 ALA H . . 7.000 3.880 3.771 3.978 . 0 0 "[ . 1 . 2 . 3]" 1
1083 1 64 ALA H 1 64 ALA MB . . 3.400 2.175 2.120 2.198 . 0 0 "[ . 1 . 2 . 3]" 1
1084 1 64 ALA H 1 65 ALA H . . 4.100 2.981 2.876 3.110 . 0 0 "[ . 1 . 2 . 3]" 1
1085 1 64 ALA H 1 66 TRP H . . 5.900 4.465 4.312 4.577 . 0 0 "[ . 1 . 2 . 3]" 1
1086 1 64 ALA HA 1 66 TRP H . . 6.000 4.838 4.709 4.965 . 0 0 "[ . 1 . 2 . 3]" 1
1087 1 64 ALA HA 1 67 LEU H . . 5.000 3.770 3.517 4.245 . 0 0 "[ . 1 . 2 . 3]" 1
1088 1 64 ALA HA 1 67 LEU HB2 . . 4.200 3.407 2.611 4.203 0.003 22 0 "[ . 1 . 2 . 3]" 1
1089 1 64 ALA HA 1 67 LEU HB3 . . 4.900 3.587 3.072 4.674 . 0 0 "[ . 1 . 2 . 3]" 1
1090 1 64 ALA HA 1 67 LEU QD . . 6.470 4.471 3.374 4.846 . 0 0 "[ . 1 . 2 . 3]" 1
1091 1 64 ALA HA 1 68 ALA H . . 5.100 3.892 3.776 4.040 . 0 0 "[ . 1 . 2 . 3]" 1
1092 1 64 ALA MB 1 65 ALA H . . 3.800 2.314 2.166 2.457 . 0 0 "[ . 1 . 2 . 3]" 1
1093 1 65 ALA H 1 65 ALA MB . . 3.400 2.226 2.210 2.245 . 0 0 "[ . 1 . 2 . 3]" 1
1094 1 65 ALA H 1 66 TRP H . . 3.500 2.852 2.772 2.920 . 0 0 "[ . 1 . 2 . 3]" 1
1095 1 65 ALA H 1 67 LEU H . . 5.500 4.232 4.015 4.610 . 0 0 "[ . 1 . 2 . 3]" 1
1096 1 65 ALA HA 1 68 ALA MB . . 4.100 2.664 2.465 2.802 . 0 0 "[ . 1 . 2 . 3]" 1
1097 1 65 ALA HA 1 69 GLU H . . 6.000 4.172 3.980 4.425 . 0 0 "[ . 1 . 2 . 3]" 1
1098 1 65 ALA MB 1 66 TRP H . . 3.700 2.336 2.241 2.456 . 0 0 "[ . 1 . 2 . 3]" 1
1099 1 65 ALA MB 1 66 TRP HB2 . . 7.000 3.951 3.828 4.147 . 0 0 "[ . 1 . 2 . 3]" 1
1100 1 65 ALA MB 1 66 TRP HB3 . . 7.000 4.213 4.055 4.371 . 0 0 "[ . 1 . 2 . 3]" 1
1101 1 66 TRP H 1 66 TRP HB2 . . 3.600 2.574 2.482 2.752 . 0 0 "[ . 1 . 2 . 3]" 1
1102 1 66 TRP H 1 66 TRP HB3 . . 3.700 2.223 2.134 2.326 . 0 0 "[ . 1 . 2 . 3]" 1
1103 1 66 TRP H 1 67 LEU H . . 3.900 2.779 2.690 2.901 . 0 0 "[ . 1 . 2 . 3]" 1
1104 1 66 TRP H 1 67 LEU QD . . 8.570 5.329 4.892 5.920 . 0 0 "[ . 1 . 2 . 3]" 1
1105 1 66 TRP H 1 68 ALA H . . 4.600 4.281 4.043 4.444 . 0 0 "[ . 1 . 2 . 3]" 1
1106 1 66 TRP HA 1 68 ALA H . . 5.700 4.629 4.396 4.787 . 0 0 "[ . 1 . 2 . 3]" 1
1107 1 66 TRP HA 1 69 GLU H . . 5.400 3.392 3.246 3.580 . 0 0 "[ . 1 . 2 . 3]" 1
1108 1 66 TRP HA 1 69 GLU HB2 . . 6.000 3.761 2.921 4.980 . 0 0 "[ . 1 . 2 . 3]" 1
1109 1 66 TRP HA 1 69 GLU QB . . 5.740 2.651 2.241 3.936 . 0 0 "[ . 1 . 2 . 3]" 1
1110 1 66 TRP HA 1 69 GLU HB3 . . 6.000 2.719 2.272 4.124 . 0 0 "[ . 1 . 2 . 3]" 1
1111 1 66 TRP HB2 1 67 LEU H . . 4.000 3.996 3.833 4.098 0.098 21 0 "[ . 1 . 2 . 3]" 1
1112 1 66 TRP HB3 1 67 LEU H . . 4.600 2.633 2.398 2.823 . 0 0 "[ . 1 . 2 . 3]" 1
1113 1 66 TRP HB3 1 67 LEU QD . . 8.570 4.309 3.718 5.360 . 0 0 "[ . 1 . 2 . 3]" 1
1114 1 66 TRP HB3 1 67 LEU HG . . 6.000 5.853 4.582 6.065 0.065 17 0 "[ . 1 . 2 . 3]" 1
1115 1 66 TRP HE3 1 67 LEU H . . 4.700 2.877 2.222 3.282 . 0 0 "[ . 1 . 2 . 3]" 1
1116 1 66 TRP HE3 1 67 LEU HA . . 5.000 3.631 3.156 4.309 . 0 0 "[ . 1 . 2 . 3]" 1
1117 1 66 TRP HE3 1 67 LEU HB2 . . 5.200 2.954 2.399 4.074 . 0 0 "[ . 1 . 2 . 3]" 1
1118 1 66 TRP HE3 1 67 LEU HB3 . . 5.700 4.554 4.088 5.188 . 0 0 "[ . 1 . 2 . 3]" 1
1119 1 66 TRP HE3 1 67 LEU MD1 . . 6.000 4.306 1.954 5.046 . 0 0 "[ . 1 . 2 . 3]" 1
1120 1 66 TRP HE3 1 67 LEU QD . . 5.690 2.590 1.950 3.883 . 0 0 "[ . 1 . 2 . 3]" 1
1121 1 66 TRP HE3 1 67 LEU MD2 . . 6.000 3.006 2.131 4.689 . 0 0 "[ . 1 . 2 . 3]" 1
1122 1 66 TRP HE3 1 67 LEU HG . . 4.100 3.925 2.660 4.267 0.167 17 0 "[ . 1 . 2 . 3]" 1
1123 1 66 TRP HH2 1 67 LEU QD . . 8.570 3.124 2.221 4.022 . 0 0 "[ . 1 . 2 . 3]" 1
1124 1 66 TRP HH2 1 70 LYS QE . . 7.000 5.572 3.752 6.736 . 0 0 "[ . 1 . 2 . 3]" 1
1125 1 66 TRP HH2 1 70 LYS QG . . 6.580 4.128 3.437 4.970 . 0 0 "[ . 1 . 2 . 3]" 1
1126 1 67 LEU H 1 67 LEU HB2 . . 3.800 2.216 2.075 2.523 . 0 0 "[ . 1 . 2 . 3]" 1
1127 1 67 LEU H 1 67 LEU HG . . 5.300 4.244 3.253 4.524 . 0 0 "[ . 1 . 2 . 3]" 1
1128 1 67 LEU H 1 68 ALA H . . 4.000 2.612 2.418 2.791 . 0 0 "[ . 1 . 2 . 3]" 1
1129 1 67 LEU H 1 69 GLU H . . 5.700 3.895 3.715 4.314 . 0 0 "[ . 1 . 2 . 3]" 1
1130 1 67 LEU HA 1 69 GLU H . . 4.900 4.153 3.722 4.621 . 0 0 "[ . 1 . 2 . 3]" 1
1131 1 67 LEU HA 1 70 LYS H . . 4.600 3.062 2.662 3.347 . 0 0 "[ . 1 . 2 . 3]" 1
1132 1 67 LEU HA 1 70 LYS QG . . 5.380 3.187 2.788 3.502 . 0 0 "[ . 1 . 2 . 3]" 1
1133 1 67 LEU HB2 1 68 ALA H . . 4.400 3.452 3.046 3.830 . 0 0 "[ . 1 . 2 . 3]" 1
1134 1 67 LEU HB3 1 68 ALA H . . 4.600 2.904 2.642 3.666 . 0 0 "[ . 1 . 2 . 3]" 1
1135 1 67 LEU QD 1 70 LYS QB . . 7.250 2.484 1.948 3.434 . 0 0 "[ . 1 . 2 . 3]" 1
1136 1 67 LEU QD 1 70 LYS QD . . 9.570 3.615 2.664 4.380 . 0 0 "[ . 1 . 2 . 3]" 1
1137 1 68 ALA H 1 68 ALA MB . . 3.400 2.252 2.220 2.291 . 0 0 "[ . 1 . 2 . 3]" 1
1138 1 68 ALA H 1 69 GLU H . . 4.200 2.718 2.511 2.873 . 0 0 "[ . 1 . 2 . 3]" 1
1139 1 68 ALA H 1 69 GLU QB . . 5.480 4.450 4.226 4.890 . 0 0 "[ . 1 . 2 . 3]" 1
1140 1 68 ALA H 1 70 LYS H . . 5.300 3.971 3.800 4.112 . 0 0 "[ . 1 . 2 . 3]" 1
1141 1 68 ALA H 1 70 LYS QB . . 5.080 4.570 4.428 4.676 . 0 0 "[ . 1 . 2 . 3]" 1
1142 1 68 ALA HA 1 70 LYS H . . 5.300 3.950 3.694 4.172 . 0 0 "[ . 1 . 2 . 3]" 1
1143 1 68 ALA MB 1 69 GLU H . . 4.300 2.671 2.446 2.938 . 0 0 "[ . 1 . 2 . 3]" 1
1144 1 68 ALA MB 1 69 GLU QB . . 7.880 3.726 3.563 3.961 . 0 0 "[ . 1 . 2 . 3]" 1
1145 1 68 ALA MB 1 71 LYS QE . . 8.000 3.940 2.941 5.306 . 0 0 "[ . 1 . 2 . 3]" 1
1146 1 69 GLU H 1 69 GLU QB . . 3.860 2.166 2.053 2.356 . 0 0 "[ . 1 . 2 . 3]" 1
1147 1 69 GLU H 1 69 GLU HG2 . . 5.600 4.148 3.162 4.526 . 0 0 "[ . 1 . 2 . 3]" 1
1148 1 69 GLU H 1 69 GLU HG3 . . 5.600 4.151 2.260 4.621 . 0 0 "[ . 1 . 2 . 3]" 1
1149 1 69 GLU H 1 70 LYS H . . 3.700 2.673 2.387 2.864 . 0 0 "[ . 1 . 2 . 3]" 1
1150 1 69 GLU H 1 70 LYS HA . . 6.000 5.048 4.737 5.284 . 0 0 "[ . 1 . 2 . 3]" 1
1151 1 69 GLU H 1 70 LYS QB . . 6.480 4.105 3.864 4.338 . 0 0 "[ . 1 . 2 . 3]" 1
1152 1 69 GLU HA 1 71 LYS H . . 6.000 3.752 3.375 4.269 . 0 0 "[ . 1 . 2 . 3]" 1
1153 1 69 GLU HA 1 71 LYS QD . . 7.000 4.473 3.986 5.327 . 0 0 "[ . 1 . 2 . 3]" 1
1154 1 69 GLU HA 1 71 LYS QE . . 6.900 3.154 2.289 3.990 . 0 0 "[ . 1 . 2 . 3]" 1
1155 1 69 GLU HA 1 71 LYS QG . . 7.000 3.391 2.851 4.018 . 0 0 "[ . 1 . 2 . 3]" 1
1156 1 69 GLU QG 1 71 LYS QE . . 6.580 5.066 4.652 5.287 . 0 0 "[ . 1 . 2 . 3]" 1
1157 1 70 LYS H 1 70 LYS HB2 . . 4.100 2.123 1.969 2.498 . 0 0 "[ . 1 . 2 . 3]" 1
1158 1 70 LYS H 1 70 LYS QB . . 3.850 2.040 1.945 2.171 . 0 0 "[ . 1 . 2 . 3]" 1
1159 1 70 LYS H 1 70 LYS HB3 . . 4.100 2.771 2.382 3.184 . 0 0 "[ . 1 . 2 . 3]" 1
1160 1 70 LYS H 1 70 LYS QE . . 7.000 4.726 2.771 5.610 . 0 0 "[ . 1 . 2 . 3]" 1
1161 1 70 LYS H 1 71 LYS H . . 6.000 2.806 2.360 3.449 . 0 0 "[ . 1 . 2 . 3]" 1
1162 1 70 LYS H 1 71 LYS QD . . 6.500 4.922 4.426 5.827 . 0 0 "[ . 1 . 2 . 3]" 1
1163 1 70 LYS QB 1 71 LYS H . . 4.940 3.337 2.561 3.903 . 0 0 "[ . 1 . 2 . 3]" 1
1164 1 70 LYS HB2 1 71 LYS H . . 5.400 4.077 3.608 4.612 . 0 0 "[ . 1 . 2 . 3]" 1
1165 1 70 LYS HB3 1 71 LYS H . . 5.400 3.562 2.619 4.277 . 0 0 "[ . 1 . 2 . 3]" 1
1166 1 70 LYS QE 1 71 LYS QB . . 6.180 5.073 4.934 5.189 . 0 0 "[ . 1 . 2 . 3]" 1
1167 1 70 LYS QG 1 71 LYS H . . 6.480 4.770 4.395 5.108 . 0 0 "[ . 1 . 2 . 3]" 1
1168 1 71 LYS H 1 71 LYS QE . . 7.000 3.909 3.260 4.283 . 0 0 "[ . 1 . 2 . 3]" 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 9, 2024 7:01:15 PM GMT (wattos1)