NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
400910 |
1v92   |
5876 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1v92
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 1710
_Distance_constraint_stats_list.Viol_count 2114
_Distance_constraint_stats_list.Viol_total 7803.874
_Distance_constraint_stats_list.Viol_max 4.191
_Distance_constraint_stats_list.Viol_rms 0.2118
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0456
_Distance_constraint_stats_list.Viol_average_violations_only 0.3692
_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 MET 8.695 1.121 8 6 "[* -* +**]"
1 2 ALA 5.744 0.455 4 0 "[ . 1]"
1 3 GLU 11.050 0.907 1 5 "[+ ** -*]"
1 4 GLU 30.074 1.121 8 10 [***-***+**]
1 5 ARG 50.300 1.194 4 10 [***+**-***]
1 6 GLN 59.286 2.226 8 10 [*******+-*]
1 7 ASP 30.585 0.914 6 10 [***-*+****]
1 8 ALA 48.374 0.994 6 10 [*-***+****]
1 9 LEU 114.231 3.909 10 10 [******-**+]
1 10 ARG 38.339 0.999 3 7 "[ +-.*****]"
1 11 GLU 34.821 0.851 6 10 [*****+-***]
1 12 PHE 115.912 2.816 10 10 [*-*******+]
1 13 VAL 43.264 1.651 9 10 [****-***+*]
1 14 ALA 4.610 0.464 5 0 "[ . 1]"
1 15 VAL 44.561 1.352 9 7 "[ * *.***+-]"
1 16 THR 29.300 0.864 8 4 "[ **. *+ 1]"
1 17 GLY 8.427 0.765 10 1 "[ . +]"
1 18 ALA 61.815 2.816 10 10 [*-*******+]
1 19 GLU 35.763 0.978 2 10 [*+**-*****]
1 20 GLU 25.354 0.999 3 7 "[ *+*.**- *]"
1 21 ASP 28.183 0.851 6 9 [****-+***1]
1 22 ARG 29.547 1.194 2 9 [*+*****-*1]
1 23 ALA 35.419 2.658 3 10 [*-+*******]
1 24 ARG 52.245 1.475 2 8 "[ +**.-****]"
1 25 PHE 30.675 0.851 6 9 [*****+***1]
1 26 PHE 88.933 2.172 5 10 [-***+*****]
1 27 LEU 73.048 3.909 10 10 [*********+]
1 28 GLU 77.992 2.672 9 10 [*****-**+*]
1 29 SER 14.621 1.409 5 5 "[ *- +* * 1]"
1 30 ALA 13.149 0.571 2 1 "[ + . 1]"
1 31 GLY 6.408 0.406 3 0 "[ . 1]"
1 32 TRP 75.336 2.226 8 9 "[ ****-*+**]"
1 33 ASP 22.629 0.747 5 5 "[ * *+-* 1]"
1 34 LEU 86.622 2.366 2 10 [*+****-***]
1 35 GLN 33.500 2.366 2 9 "[*+ ***-***]"
1 36 ILE 52.892 2.430 7 5 "[ *.*+**1]"
1 37 ALA 42.937 1.418 4 10 [***+**-***]
1 38 LEU 62.726 2.658 3 10 [*-+*******]
1 39 ALA 6.258 0.700 8 3 "[ . -+*1]"
1 40 SER 97.467 3.376 9 10 [-*******+*]
1 41 PHE 66.894 4.191 8 8 "[*** **-+*1]"
1 42 TYR 48.068 3.959 9 10 [**-*****+*]
1 43 GLU 37.513 1.599 8 9 "[ *-****+**]"
1 44 ASP 65.067 4.191 8 7 "[ ** ***+-1]"
1 45 GLY 16.269 1.084 7 8 "[ * ***+*-*]"
1 46 GLY 34.151 3.959 9 10 [*****-**+*]
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 MET HA 1 4 GLU HB2 3.000 . 4.200 3.992 1.857 5.056 0.856 10 1 "[ . +]" 1
2 1 1 MET HA 1 4 GLU QG 3.000 . 4.100 3.764 2.277 5.221 1.121 8 2 "[ .- + 1]" 1
3 1 1 MET QB 1 2 ALA H 1.900 . 2.300 2.238 1.827 2.755 0.455 4 0 "[ . 1]" 1
4 1 1 MET QB 1 2 ALA MB 2.800 . 3.800 3.518 3.216 3.859 0.059 5 0 "[ . 1]" 1
5 1 1 MET QB 1 2 ALA MB 2.700 . 3.600 3.359 2.998 3.765 0.165 9 0 "[ . 1]" 1
6 1 1 MET QB 1 3 GLU H 3.500 . 5.100 2.940 2.425 3.346 . 0 0 "[ . 1]" 1
7 1 1 MET QB 1 4 GLU QG 3.200 . 4.500 3.484 2.154 3.836 . 0 0 "[ . 1]" 1
8 1 1 MET QB 1 4 GLU QG 3.700 . 5.400 3.977 2.163 4.775 . 0 0 "[ . 1]" 1
9 1 1 MET QB 1 4 GLU QG 3.800 . 5.600 4.009 2.164 4.776 . 0 0 "[ . 1]" 1
10 1 1 MET HB3 1 2 ALA H 2.500 . 3.300 2.360 1.887 2.800 . 0 0 "[ . 1]" 1
11 1 1 MET HB3 1 2 ALA HA 2.500 . 3.300 2.597 2.562 2.623 . 0 0 "[ . 1]" 1
12 1 1 MET HB3 1 2 ALA HA 2.200 . 2.800 2.330 1.963 2.817 0.017 1 0 "[ . 1]" 1
13 1 1 MET HB3 1 2 ALA MB 2.900 . 3.900 3.732 3.305 4.135 0.235 5 0 "[ . 1]" 1
14 1 1 MET HB3 1 2 ALA MB 3.400 . 4.900 3.469 3.221 3.751 . 0 0 "[ . 1]" 1
15 1 1 MET HB3 1 2 ALA MB 3.200 . 4.500 3.561 3.236 3.935 . 0 0 "[ . 1]" 1
16 1 1 MET HB3 1 3 GLU H 3.000 . 4.200 3.761 2.526 4.927 0.727 9 3 "[* - +1]" 1
17 1 2 ALA H 1 2 ALA HA 2.400 . 3.100 2.787 2.757 2.807 . 0 0 "[ . 1]" 1
18 1 2 ALA H 1 2 ALA HA 2.100 . 2.700 2.510 2.497 2.525 . 0 0 "[ . 1]" 1
19 1 2 ALA H 1 2 ALA HA 2.500 . 3.300 2.320 2.240 2.451 . 0 0 "[ . 1]" 1
20 1 2 ALA H 1 2 ALA MB 2.200 . 2.800 2.002 1.962 2.044 . 0 0 "[ . 1]" 1
21 1 2 ALA H 1 3 GLU H 2.800 . 3.800 2.893 2.792 3.188 . 0 0 "[ . 1]" 1
22 1 2 ALA H 1 3 GLU HA 3.500 . 5.000 3.508 3.396 3.764 . 0 0 "[ . 1]" 1
23 1 2 ALA H 1 3 GLU HA 3.100 . 4.300 3.740 3.596 3.962 . 0 0 "[ . 1]" 1
24 1 2 ALA H 1 3 GLU HA 3.500 . 5.000 3.572 3.465 3.724 . 0 0 "[ . 1]" 1
25 1 2 ALA H 1 4 GLU QG 4.800 . 6.000 5.387 4.664 6.210 0.210 8 0 "[ . 1]" 1
26 1 2 ALA H 1 5 ARG H 2.700 . 6.000 5.309 4.786 5.746 . 0 0 "[ . 1]" 1
27 1 2 ALA HA 1 2 ALA MB 1.900 . 2.300 2.036 1.966 2.086 . 0 0 "[ . 1]" 1
28 1 2 ALA HA 1 2 ALA MB 2.000 . 2.500 1.903 1.893 1.910 . 0 0 "[ . 1]" 1
29 1 2 ALA HA 1 3 GLU H 6.000 . 6.000 3.538 3.487 3.582 . 0 0 "[ . 1]" 1
30 1 2 ALA HA 1 3 GLU H 2.800 . 3.800 2.584 2.535 2.648 . 0 0 "[ . 1]" 1
31 1 2 ALA HA 1 3 GLU H 2.600 . 3.500 3.221 3.116 3.355 . 0 0 "[ . 1]" 1
32 1 2 ALA HA 1 3 GLU H 2.300 . 3.000 2.954 2.851 3.056 0.056 9 0 "[ . 1]" 1
33 1 2 ALA HA 1 3 GLU H 2.800 . 3.800 3.153 3.001 3.326 . 0 0 "[ . 1]" 1
34 1 2 ALA HA 1 4 GLU QG 3.600 . 5.200 4.666 4.247 5.134 . 0 0 "[ . 1]" 1
35 1 2 ALA HA 1 5 ARG H 3.800 . 5.600 3.521 3.307 3.952 . 0 0 "[ . 1]" 1
36 1 2 ALA HA 1 5 ARG QB 2.400 . 3.100 2.634 2.408 2.844 . 0 0 "[ . 1]" 1
37 1 2 ALA HA 1 4 GLU HA 3.400 . 4.900 4.870 4.706 5.103 0.203 9 0 "[ . 1]" 1
38 1 2 ALA HA 1 4 GLU HA 3.600 . 5.200 4.641 4.456 4.723 . 0 0 "[ . 1]" 1
39 1 2 ALA HA 1 4 GLU HA 3.300 . 4.600 4.886 4.563 5.043 0.443 7 0 "[ . 1]" 1
40 1 2 ALA HA 1 4 GLU QG 3.400 . 4.900 4.317 4.178 4.620 . 0 0 "[ . 1]" 1
41 1 2 ALA HA 1 4 GLU QG 3.300 . 4.700 4.252 4.148 4.400 . 0 0 "[ . 1]" 1
42 1 2 ALA HA 1 4 GLU QG 3.600 . 5.300 3.919 3.759 4.032 . 0 0 "[ . 1]" 1
43 1 2 ALA HA 1 4 GLU QG 3.600 . 5.200 4.235 4.033 4.400 . 0 0 "[ . 1]" 1
44 1 2 ALA HA 1 4 GLU QG 3.800 . 5.700 4.911 4.322 5.200 . 0 0 "[ . 1]" 1
45 1 2 ALA HA 1 5 ARG H 3.100 . 4.300 3.694 3.427 4.308 0.008 9 0 "[ . 1]" 1
46 1 2 ALA HA 1 5 ARG H 3.300 . 4.600 3.620 3.385 4.134 . 0 0 "[ . 1]" 1
47 1 2 ALA HA 1 5 ARG QB 3.200 . 4.500 3.382 2.677 3.864 . 0 0 "[ . 1]" 1
48 1 2 ALA MB 1 3 GLU H 2.900 . 4.000 2.654 1.849 2.925 . 0 0 "[ . 1]" 1
49 1 2 ALA MB 1 3 GLU H 2.800 . 3.800 2.612 1.845 2.860 . 0 0 "[ . 1]" 1
50 1 2 ALA MB 1 3 GLU H 2.300 . 3.000 1.989 1.726 2.091 . 0 0 "[ . 1]" 1
51 1 2 ALA MB 1 5 ARG H 3.600 . 5.200 3.867 3.336 4.163 . 0 0 "[ . 1]" 1
52 1 2 ALA MB 1 6 GLN QG 3.400 . 4.900 3.531 3.322 3.697 . 0 0 "[ . 1]" 1
53 1 3 GLU H 1 3 GLU HA 2.000 . 2.500 2.427 2.393 2.465 . 0 0 "[ . 1]" 1
54 1 3 GLU H 1 4 GLU QG 2.700 . 3.600 2.489 1.936 3.185 . 0 0 "[ . 1]" 1
55 1 3 GLU H 1 6 GLN H 4.000 . 6.000 4.179 4.051 4.357 . 0 0 "[ . 1]" 1
56 1 3 GLU HA 1 3 GLU HB2 2.500 . 3.300 2.673 2.401 3.009 . 0 0 "[ . 1]" 1
57 1 3 GLU HA 1 3 GLU HB2 1.900 . 2.400 2.061 1.984 2.113 . 0 0 "[ . 1]" 1
58 1 3 GLU HA 1 3 GLU HB2 1.800 . 2.200 1.992 1.897 2.120 . 0 0 "[ . 1]" 1
59 1 3 GLU HA 1 3 GLU HB2 1.800 . 2.200 2.066 1.946 2.243 0.043 10 0 "[ . 1]" 1
60 1 3 GLU HA 1 3 GLU HB2 2.900 . 3.900 2.195 2.077 2.275 . 0 0 "[ . 1]" 1
61 1 3 GLU HA 1 3 GLU HB2 2.400 . 3.100 1.782 1.691 1.906 0.009 6 0 "[ . 1]" 1
62 1 3 GLU HA 1 3 GLU HB2 1.700 . 2.200 2.362 2.176 2.503 0.303 10 0 "[ . 1]" 1
63 1 3 GLU HA 1 4 GLU H 6.000 . 6.000 3.527 3.455 3.574 . 0 0 "[ . 1]" 1
64 1 3 GLU HA 1 4 GLU HA 2.500 . 3.300 2.848 2.378 3.226 . 0 0 "[ . 1]" 1
65 1 3 GLU HA 1 7 ASP H 2.400 . 3.100 3.235 3.176 3.296 0.196 1 0 "[ . 1]" 1
66 1 3 GLU HA 1 6 GLN H 3.200 . 4.500 2.567 2.533 2.591 . 0 0 "[ . 1]" 1
67 1 3 GLU HA 1 6 GLN H 3.100 . 4.300 2.661 2.598 2.707 . 0 0 "[ . 1]" 1
68 1 3 GLU HA 1 6 GLN QB 3.300 . 4.600 2.249 2.225 2.263 . 0 0 "[ . 1]" 1
69 1 3 GLU HA 1 6 GLN QG 3.000 . 4.100 2.315 2.005 2.644 . 0 0 "[ . 1]" 1
70 1 3 GLU HA 1 6 GLN QG 2.000 . 2.500 2.205 1.973 2.481 . 0 0 "[ . 1]" 1
71 1 3 GLU HA 1 7 ASP H 3.200 . 4.500 3.401 3.297 3.476 . 0 0 "[ . 1]" 1
72 1 3 GLU HA 1 6 GLN QB 2.300 . 3.000 3.490 3.152 3.907 0.907 1 5 "[+ ** -*]" 1
73 1 3 GLU HA 1 6 GLN QG 2.200 . 2.800 2.386 2.025 2.821 0.021 8 0 "[ . 1]" 1
74 1 3 GLU HA 1 6 GLN QG 2.100 . 2.600 2.252 1.990 2.587 . 0 0 "[ . 1]" 1
75 1 3 GLU HA 1 7 ASP QB 3.200 . 4.400 3.652 2.472 4.273 . 0 0 "[ . 1]" 1
76 1 3 GLU HA 1 7 ASP QB 3.500 . 5.000 4.500 4.090 4.797 . 0 0 "[ . 1]" 1
77 1 3 GLU HA 1 7 ASP QB 3.400 . 4.800 3.899 3.687 4.075 . 0 0 "[ . 1]" 1
78 1 3 GLU HB2 1 7 ASP HB2 3.600 . 5.200 5.129 4.867 5.392 0.192 9 0 "[ . 1]" 1
79 1 3 GLU HB2 1 7 ASP HA 3.500 . 5.000 4.732 4.356 5.093 0.093 4 0 "[ . 1]" 1
80 1 3 GLU HB2 1 7 ASP H 4.000 . 6.000 4.458 4.276 4.810 . 0 0 "[ . 1]" 1
81 1 3 GLU HB2 1 7 ASP QB 3.300 . 4.600 4.217 4.033 4.494 . 0 0 "[ . 1]" 1
82 1 3 GLU HB2 1 7 ASP QB 3.400 . 4.700 4.104 3.934 4.374 . 0 0 "[ . 1]" 1
83 1 4 GLU H 1 4 GLU HA 2.700 . 3.600 2.827 2.803 2.851 . 0 0 "[ . 1]" 1
84 1 4 GLU H 1 4 GLU HA 1.800 . 2.200 2.039 1.892 2.411 0.211 8 0 "[ . 1]" 1
85 1 4 GLU H 1 4 GLU HB2 2.200 . 2.800 2.183 1.934 2.401 . 0 0 "[ . 1]" 1
86 1 4 GLU H 1 4 GLU HB2 1.600 . 2.200 1.816 1.748 1.903 . 0 0 "[ . 1]" 1
87 1 4 GLU H 1 4 GLU QG 2.900 . 4.000 2.525 1.944 3.267 . 0 0 "[ . 1]" 1
88 1 4 GLU H 1 4 GLU QG 2.600 . 3.500 2.409 1.930 2.926 . 0 0 "[ . 1]" 1
89 1 4 GLU H 1 4 GLU QG 3.100 . 4.300 2.478 1.938 3.130 . 0 0 "[ . 1]" 1
90 1 4 GLU H 1 4 GLU QG 2.100 . 2.700 2.485 1.938 3.151 0.451 6 0 "[ . 1]" 1
91 1 4 GLU H 1 5 ARG H 2.700 . 3.600 2.805 2.800 2.810 . 0 0 "[ . 1]" 1
92 1 4 GLU H 1 5 ARG HB2 2.900 . 3.900 2.475 2.381 2.541 . 0 0 "[ . 1]" 1
93 1 4 GLU HA 1 4 GLU HB2 2.200 . 2.800 2.357 2.321 2.373 . 0 0 "[ . 1]" 1
94 1 4 GLU HA 1 4 GLU HB2 3.300 . 4.700 2.264 2.238 2.275 . 0 0 "[ . 1]" 1
95 1 4 GLU HA 1 4 GLU HB2 2.000 . 2.500 2.090 2.022 2.171 . 0 0 "[ . 1]" 1
96 1 4 GLU HA 1 4 GLU QG 3.100 . 4.300 2.094 1.890 2.340 0.010 2 0 "[ . 1]" 1
97 1 4 GLU HA 1 4 GLU QG 2.800 . 3.800 2.197 1.895 2.804 . 0 0 "[ . 1]" 1
98 1 4 GLU HA 1 4 GLU QG 2.100 . 2.700 2.070 1.873 2.467 . 0 0 "[ . 1]" 1
99 1 4 GLU HA 1 4 GLU QG 2.200 . 2.800 2.034 1.828 2.326 . 0 0 "[ . 1]" 1
100 1 4 GLU HA 1 4 GLU QG 2.400 . 3.100 2.122 1.901 2.514 . 0 0 "[ . 1]" 1
101 1 4 GLU HA 1 5 ARG H 2.000 . 2.500 2.137 1.994 2.278 . 0 0 "[ . 1]" 1
102 1 4 GLU HA 1 5 ARG H 2.600 . 3.400 2.856 2.812 2.893 . 0 0 "[ . 1]" 1
103 1 4 GLU HA 1 5 ARG H 2.600 . 3.400 2.909 2.847 2.936 . 0 0 "[ . 1]" 1
104 1 4 GLU HA 1 5 ARG HB2 3.000 . 4.100 2.365 2.218 2.535 . 0 0 "[ . 1]" 1
105 1 4 GLU HA 1 7 ASP H 2.400 . 3.100 3.627 3.517 3.701 0.601 8 7 "[ **-.**+ *]" 1
106 1 4 GLU HA 1 7 ASP H 2.100 . 2.600 2.038 1.894 2.400 . 0 0 "[ . 1]" 1
107 1 4 GLU HA 1 7 ASP H 2.900 . 4.000 2.101 1.922 2.602 . 0 0 "[ . 1]" 1
108 1 4 GLU HA 1 7 ASP HA 3.400 . 4.800 5.567 5.455 5.714 0.914 6 10 [*****+*-**] 1
109 1 4 GLU HA 1 7 ASP QB . . 2.700 2.798 2.615 2.973 0.273 2 0 "[ . 1]" 1
110 1 4 GLU HA 1 7 ASP QB 2.600 . 3.400 2.655 2.360 2.944 . 0 0 "[ . 1]" 1
111 1 4 GLU HA 1 7 ASP QB 2.400 . 3.100 2.264 2.179 2.304 . 0 0 "[ . 1]" 1
112 1 4 GLU HA 1 8 ALA H 3.200 . 4.500 1.999 1.783 2.156 0.117 7 0 "[ . 1]" 1
113 1 4 GLU HA 1 8 ALA H 3.200 . 4.500 2.088 1.816 2.298 0.084 7 0 "[ . 1]" 1
114 1 4 GLU HA 1 8 ALA H 2.600 . 3.500 2.155 2.004 2.306 . 0 0 "[ . 1]" 1
115 1 4 GLU HA 1 8 ALA MB 3.100 . 4.300 3.118 2.614 3.620 . 0 0 "[ . 1]" 1
116 1 4 GLU HA 1 8 ALA MB 3.400 . 4.800 3.148 2.621 3.690 . 0 0 "[ . 1]" 1
117 1 4 GLU HB2 1 4 GLU QG 1.900 . 2.400 1.722 1.707 1.739 . 0 0 "[ . 1]" 1
118 1 4 GLU HB2 1 5 ARG H 2.400 . 3.100 2.671 2.332 3.063 . 0 0 "[ . 1]" 1
119 1 4 GLU HB2 1 5 ARG HA 3.500 . 5.000 2.273 2.266 2.286 . 0 0 "[ . 1]" 1
120 1 4 GLU HB2 1 5 ARG HA 3.500 . 5.000 3.395 2.988 4.106 . 0 0 "[ . 1]" 1
121 1 4 GLU HB2 1 5 ARG HA 3.300 . 4.600 3.381 2.985 4.074 . 0 0 "[ . 1]" 1
122 1 4 GLU HB2 1 5 ARG QB 3.400 . 4.800 4.552 4.288 4.933 0.133 5 0 "[ . 1]" 1
123 1 4 GLU HB2 1 5 ARG HB2 2.900 . 3.900 4.052 3.958 4.186 0.286 5 0 "[ . 1]" 1
124 1 4 GLU HB2 1 5 ARG HB2 2.800 . 3.800 2.145 1.769 3.138 0.031 4 0 "[ . 1]" 1
125 1 4 GLU HB2 1 7 ASP QB 3.900 . 5.800 5.512 5.329 5.640 . 0 0 "[ . 1]" 1
126 1 4 GLU HB2 1 7 ASP QB 3.200 . 4.500 4.219 4.082 4.473 . 0 0 "[ . 1]" 1
127 1 4 GLU HB2 1 7 ASP QB 3.800 . 5.600 3.802 3.592 4.022 . 0 0 "[ . 1]" 1
128 1 4 GLU QG 1 5 ARG H 3.700 . 5.400 4.188 3.982 4.437 . 0 0 "[ . 1]" 1
129 1 4 GLU QG 1 5 ARG H 4.400 . 4.900 3.544 3.446 3.702 . 0 0 "[ . 1]" 1
130 1 4 GLU QG 1 5 ARG QB 3.400 . 4.800 4.255 3.288 5.165 0.365 5 0 "[ . 1]" 1
131 1 4 GLU QG 1 5 ARG HB2 3.000 . 4.100 3.579 3.337 3.761 . 0 0 "[ . 1]" 1
132 1 4 GLU QG 1 6 GLN QE 3.800 . 5.700 6.026 5.684 6.447 0.747 5 2 "[ + - 1]" 1
133 1 4 GLU QG 1 7 ASP QB 3.800 . 5.600 4.011 3.771 4.330 . 0 0 "[ . 1]" 1
134 1 4 GLU QG 1 7 ASP QB 3.100 . 4.300 3.839 3.649 4.092 . 0 0 "[ . 1]" 1
135 1 4 GLU QG 1 7 ASP QB 3.400 . 4.800 4.419 3.972 5.122 0.322 10 0 "[ . 1]" 1
136 1 4 GLU QG 1 7 ASP QB 3.800 . 5.600 4.281 3.898 4.783 . 0 0 "[ . 1]" 1
137 1 4 GLU QG 1 7 ASP QB 3.600 . 5.200 2.883 2.246 4.586 . 0 0 "[ . 1]" 1
138 1 4 GLU QG 1 7 ASP QB 3.400 . 4.800 2.755 2.202 4.447 . 0 0 "[ . 1]" 1
139 1 5 ARG H 1 5 ARG HB2 2.700 . 3.600 2.123 1.902 2.380 . 0 0 "[ . 1]" 1
140 1 5 ARG H 1 5 ARG HA 2.200 . 2.800 2.416 2.402 2.428 . 0 0 "[ . 1]" 1
141 1 5 ARG H 1 5 ARG HA 2.400 . 3.100 2.520 2.498 2.535 . 0 0 "[ . 1]" 1
142 1 5 ARG H 1 5 ARG HA 2.400 . 3.100 2.705 2.671 2.747 . 0 0 "[ . 1]" 1
143 1 5 ARG H 1 5 ARG HA 2.400 . 3.100 2.545 2.516 2.558 . 0 0 "[ . 1]" 1
144 1 5 ARG H 1 5 ARG HA 2.500 . 3.300 2.713 2.676 2.757 . 0 0 "[ . 1]" 1
145 1 5 ARG H 1 5 ARG QB 2.300 . 2.900 2.157 1.925 2.416 . 0 0 "[ . 1]" 1
146 1 5 ARG H 1 5 ARG QG 3.200 . 4.500 1.788 1.624 1.937 0.276 5 0 "[ . 1]" 1
147 1 5 ARG H 1 6 GLN QE 3.700 . 5.500 2.878 2.115 3.211 . 0 0 "[ . 1]" 1
148 1 5 ARG H 1 6 GLN QE 3.700 . 5.500 3.148 2.135 3.688 . 0 0 "[ . 1]" 1
149 1 5 ARG H 1 7 ASP H 2.900 . 3.900 4.610 4.267 4.777 0.877 4 9 [*-*+*****1] 1
150 1 5 ARG HA 1 5 ARG HB2 2.100 . 2.600 2.456 2.370 2.519 . 0 0 "[ . 1]" 1
151 1 5 ARG HA 1 5 ARG QB 2.100 . 2.700 2.476 2.379 2.548 . 0 0 "[ . 1]" 1
152 1 5 ARG HA 1 5 ARG QB 2.400 . 3.100 2.448 2.360 2.514 . 0 0 "[ . 1]" 1
153 1 5 ARG HA 1 5 ARG HB2 1.800 . 2.200 2.100 2.086 2.113 . 0 0 "[ . 1]" 1
154 1 5 ARG HA 1 5 ARG QG 2.200 . 2.800 2.209 1.920 2.709 . 0 0 "[ . 1]" 1
155 1 5 ARG HA 1 6 GLN QE 2.900 . 4.000 2.751 1.846 3.518 . 0 0 "[ . 1]" 1
156 1 5 ARG HA 1 6 GLN QG 3.300 . 4.700 3.172 3.079 3.206 . 0 0 "[ . 1]" 1
157 1 5 ARG HA 1 6 GLN QG 3.200 . 4.500 2.966 2.912 3.018 . 0 0 "[ . 1]" 1
158 1 5 ARG HA 1 8 ALA HA 3.100 . 4.300 4.469 4.332 4.542 0.242 7 0 "[ . 1]" 1
159 1 5 ARG HA 1 8 ALA MB 3.100 . 4.300 2.547 2.170 2.714 . 0 0 "[ . 1]" 1
160 1 5 ARG HA 1 8 ALA MB 2.800 . 3.800 2.513 2.159 2.664 . 0 0 "[ . 1]" 1
161 1 5 ARG HA 1 8 ALA MB 2.400 . 3.100 2.564 2.170 2.782 . 0 0 "[ . 1]" 1
162 1 5 ARG HA 1 32 TRP QB 3.300 . 4.700 3.409 3.297 3.531 . 0 0 "[ . 1]" 1
163 1 5 ARG HA 1 32 TRP QB 2.900 . 4.000 3.403 3.293 3.524 . 0 0 "[ . 1]" 1
164 1 5 ARG HA 1 28 GLU QB 3.000 . 4.100 3.645 3.349 4.048 . 0 0 "[ . 1]" 1
165 1 5 ARG HA 1 28 GLU HA 3.100 . 4.300 4.491 4.416 4.543 0.243 2 0 "[ . 1]" 1
166 1 5 ARG HA 1 27 LEU QD 3.300 . 4.700 3.863 3.650 4.230 . 0 0 "[ . 1]" 1
167 1 5 ARG HA 1 32 TRP HH2 3.600 . 5.200 4.314 4.172 4.549 . 0 0 "[ . 1]" 1
168 1 5 ARG HA 1 32 TRP HH2 3.100 . 4.300 4.451 4.317 4.594 0.294 4 0 "[ . 1]" 1
169 1 5 ARG HA 1 6 GLN QE 3.100 . 4.300 2.705 2.553 2.817 . 0 0 "[ . 1]" 1
170 1 5 ARG HA 1 8 ALA H 2.900 . 3.900 2.139 1.859 2.342 0.041 7 0 "[ . 1]" 1
171 1 5 ARG HA 1 8 ALA HA 3.300 . 4.700 4.600 4.335 4.723 0.023 1 0 "[ . 1]" 1
172 1 5 ARG HA 1 8 ALA HA 3.300 . 4.700 5.052 4.710 5.238 0.538 9 2 "[ . - +1]" 1
173 1 5 ARG HA 1 9 LEU H 3.400 . 4.800 3.495 3.350 3.522 . 0 0 "[ . 1]" 1
174 1 5 ARG HA 1 32 TRP QB 3.500 . 5.000 3.309 3.105 3.623 . 0 0 "[ . 1]" 1
175 1 5 ARG HA 1 32 TRP QB 3.200 . 4.500 3.376 3.255 3.498 . 0 0 "[ . 1]" 1
176 1 5 ARG HA 1 32 TRP HZ2 3.500 . 5.000 4.056 3.917 4.223 . 0 0 "[ . 1]" 1
177 1 5 ARG HA 1 32 TRP HA 3.300 . 4.700 4.192 4.035 4.424 . 0 0 "[ . 1]" 1
178 1 5 ARG QB 1 5 ARG HG2 1.800 . 2.200 2.143 2.075 2.252 0.052 9 0 "[ . 1]" 1
179 1 5 ARG QB 1 5 ARG HG2 2.100 . 2.700 1.685 1.590 1.813 . 0 0 "[ . 1]" 1
180 1 5 ARG QB 1 6 GLN H 3.000 . 4.200 2.510 2.322 2.710 . 0 0 "[ . 1]" 1
181 1 5 ARG QB 1 6 GLN QB 3.800 . 5.600 4.420 4.324 4.526 . 0 0 "[ . 1]" 1
182 1 5 ARG QB 1 6 GLN QE . . 2.700 3.091 1.734 3.817 1.117 5 7 "[ -* + ****]" 1
183 1 5 ARG QB 1 6 GLN QG 3.000 . 4.100 3.169 2.990 3.426 . 0 0 "[ . 1]" 1
184 1 5 ARG QB 1 6 GLN QG 2.900 . 4.000 3.068 2.876 3.319 . 0 0 "[ . 1]" 1
185 1 5 ARG HB2 1 8 ALA MB 3.400 . 4.800 3.899 3.791 4.104 . 0 0 "[ . 1]" 1
186 1 5 ARG QB 1 32 TRP HH2 3.100 . 4.300 3.533 3.185 4.063 . 0 0 "[ . 1]" 1
187 1 5 ARG QB 1 32 TRP HZ2 3.400 . 4.900 4.821 4.409 5.543 0.643 8 1 "[ . + 1]" 1
188 1 5 ARG HB3 1 5 ARG HG2 1.900 . 2.400 1.486 1.414 1.552 . 0 0 "[ . 1]" 1
189 1 5 ARG HB3 1 6 GLN QB 3.600 . 5.300 3.344 3.039 3.834 . 0 0 "[ . 1]" 1
190 1 5 ARG HB3 1 8 ALA H 3.300 . 4.700 2.832 1.612 3.662 0.288 9 0 "[ . 1]" 1
191 1 5 ARG HB3 1 28 GLU HG2 3.500 . 5.000 4.295 3.302 4.997 . 0 0 "[ . 1]" 1
192 1 5 ARG QG 1 6 GLN QE 2.700 . 3.600 3.491 2.943 4.031 0.431 9 0 "[ . 1]" 1
193 1 5 ARG QG 1 6 GLN H 3.200 . 4.500 4.162 3.935 4.309 . 0 0 "[ . 1]" 1
194 1 5 ARG QG 1 6 GLN QE 3.100 . 4.300 1.919 1.658 2.953 0.242 6 0 "[ . 1]" 1
195 1 5 ARG QG 1 6 GLN QE 3.200 . 4.400 3.784 2.762 5.140 0.740 5 1 "[ + 1]" 1
196 1 5 ARG QG 1 6 GLN H 4.100 . 6.000 4.233 3.988 4.396 . 0 0 "[ . 1]" 1
197 1 5 ARG QG 1 6 GLN H 2.800 . 3.800 2.345 1.801 3.236 . 0 0 "[ . 1]" 1
198 1 5 ARG QG 1 6 GLN H 3.100 . 4.300 2.317 1.798 3.079 0.102 5 0 "[ . 1]" 1
199 1 5 ARG QG 1 6 GLN QE 5.300 . 6.000 4.770 3.348 5.769 . 0 0 "[ . 1]" 1
200 1 5 ARG QG 1 6 GLN QE 3.600 . 5.200 1.947 1.661 2.970 0.339 6 0 "[ . 1]" 1
201 1 5 ARG QG 1 6 GLN QE 2.800 . 3.800 3.448 2.735 4.397 0.597 5 1 "[ + 1]" 1
202 1 5 ARG QG 1 6 GLN QG 3.800 . 5.600 5.008 4.672 5.305 . 0 0 "[ . 1]" 1
203 1 5 ARG QG 1 6 GLN QG 3.500 . 5.000 4.050 3.578 4.379 . 0 0 "[ . 1]" 1
204 1 5 ARG QG 1 6 GLN QG 3.400 . 4.800 3.972 3.568 4.301 . 0 0 "[ . 1]" 1
205 1 5 ARG QG 1 8 ALA H 3.300 . 4.600 3.257 1.980 4.101 0.020 8 0 "[ . 1]" 1
206 1 5 ARG QG 1 32 TRP QB 3.400 . 4.800 2.165 1.893 2.458 0.107 6 0 "[ . 1]" 1
207 1 5 ARG QG 1 32 TRP QB 3.000 . 4.100 2.650 1.905 3.531 . 0 0 "[ . 1]" 1
208 1 5 ARG QG 1 32 TRP QB 3.200 . 4.400 3.603 3.129 4.112 . 0 0 "[ . 1]" 1
209 1 5 ARG QG 1 27 LEU MD1 3.300 . 4.600 2.454 1.547 3.040 0.453 9 0 "[ . 1]" 1
210 1 5 ARG QG 1 32 TRP QB 3.300 . 4.600 2.487 2.145 3.391 . 0 0 "[ . 1]" 1
211 1 5 ARG QG 1 32 TRP HD1 3.600 . 5.200 4.585 3.971 5.397 0.197 7 0 "[ . 1]" 1
212 1 5 ARG QG 1 32 TRP QB 3.200 . 4.100 4.304 3.670 5.258 1.158 4 2 "[ +- 1]" 1
213 1 5 ARG QG 1 32 TRP HE3 2.900 . 4.000 3.694 2.901 4.883 0.883 4 2 "[ +- 1]" 1
214 1 5 ARG QG 1 32 TRP HH2 2.500 . 3.300 3.249 2.374 4.147 0.847 4 4 "[ -+* *1]" 1
215 1 5 ARG QG 1 32 TRP HZ2 2.500 . 3.300 3.582 2.858 4.494 1.194 4 4 "[ +* - *1]" 1
216 1 5 ARG HG2 1 6 GLN QG 4.000 . 6.000 3.732 3.230 4.179 . 0 0 "[ . 1]" 1
217 1 6 GLN H 1 6 GLN HA 2.600 . 3.400 2.868 2.829 2.884 . 0 0 "[ . 1]" 1
218 1 6 GLN H 1 6 GLN QB 2.400 . 3.100 2.633 2.602 2.694 . 0 0 "[ . 1]" 1
219 1 6 GLN H 1 6 GLN QB 2.000 . 2.500 2.269 2.119 2.424 . 0 0 "[ . 1]" 1
220 1 6 GLN H 1 6 GLN QG 1.800 . 2.200 1.738 1.586 1.793 . 0 0 "[ . 1]" 1
221 1 6 GLN H 1 7 ASP H 2.400 . 3.100 2.800 2.755 2.821 . 0 0 "[ . 1]" 1
222 1 6 GLN H 1 7 ASP H 2.400 . 3.100 2.485 2.399 2.507 . 0 0 "[ . 1]" 1
223 1 6 GLN H 1 7 ASP QB 3.500 . 5.100 1.971 1.893 2.068 0.007 3 0 "[ . 1]" 1
224 1 6 GLN H 1 7 ASP QB 2.600 . 3.400 1.978 1.899 2.077 . 0 0 "[ . 1]" 1
225 1 6 GLN H 1 8 ALA MB 4.500 . 6.000 4.516 4.131 4.732 . 0 0 "[ . 1]" 1
226 1 6 GLN HA 1 10 ARG HB3 3.500 . 5.000 4.261 4.169 4.319 . 0 0 "[ . 1]" 1
227 1 6 GLN HA 1 6 GLN QB 3.100 . 4.300 2.279 2.272 2.289 . 0 0 "[ . 1]" 1
228 1 6 GLN HA 1 6 GLN QB 2.100 . 2.700 1.771 1.689 1.868 . 0 0 "[ . 1]" 1
229 1 6 GLN HA 1 6 GLN QB 3.100 . 4.300 2.158 2.059 2.195 . 0 0 "[ . 1]" 1
230 1 6 GLN HA 1 6 GLN QE 2.700 . 3.600 2.443 1.825 2.770 . 0 0 "[ . 1]" 1
231 1 6 GLN HA 1 6 GLN QE 2.300 . 3.000 2.373 1.823 2.716 . 0 0 "[ . 1]" 1
232 1 6 GLN HA 1 7 ASP H 6.000 . 6.000 3.577 3.566 3.586 . 0 0 "[ . 1]" 1
233 1 6 GLN HA 1 7 ASP H 2.200 . 2.800 2.747 2.734 2.763 . 0 0 "[ . 1]" 1
234 1 6 GLN HA 1 7 ASP HA 3.400 . 4.800 4.769 4.750 4.794 . 0 0 "[ . 1]" 1
235 1 6 GLN HA 1 7 ASP HA 3.400 . 4.900 4.523 4.383 4.585 . 0 0 "[ . 1]" 1
236 1 6 GLN HA 1 7 ASP HA 3.400 . 4.800 3.997 3.985 4.006 . 0 0 "[ . 1]" 1
237 1 6 GLN HA 1 8 ALA HA 3.600 . 5.200 5.388 5.073 5.770 0.570 5 1 "[ + 1]" 1
238 1 6 GLN HA 1 10 ARG QG 3.600 . 5.200 2.549 2.513 2.659 . 0 0 "[ . 1]" 1
239 1 6 GLN HA 1 9 LEU QB 2.300 . 3.000 2.123 2.068 2.255 . 0 0 "[ . 1]" 1
240 1 6 GLN HA 1 9 LEU QB 3.200 . 4.500 2.762 2.392 3.081 . 0 0 "[ . 1]" 1
241 1 6 GLN HA 1 9 LEU QD 3.400 . 4.800 2.656 1.858 3.293 0.142 8 0 "[ . 1]" 1
242 1 6 GLN HA 1 10 ARG QG 3.400 . 4.900 3.741 3.421 4.329 . 0 0 "[ . 1]" 1
243 1 6 GLN HA 1 24 ARG HB2 3.400 . 4.800 2.929 2.473 3.265 . 0 0 "[ . 1]" 1
244 1 6 GLN HA 1 27 LEU HG 3.100 . 4.300 3.132 2.427 4.055 . 0 0 "[ . 1]" 1
245 1 6 GLN HA 1 27 LEU QB 3.700 . 5.500 5.516 5.247 5.737 0.237 2 0 "[ . 1]" 1
246 1 6 GLN QB 1 6 GLN QE 4.000 . 6.000 2.779 2.109 3.643 . 0 0 "[ . 1]" 1
247 1 6 GLN QB 1 6 GLN QG 3.200 . 4.500 1.825 1.805 1.891 0.095 7 0 "[ . 1]" 1
248 1 6 GLN QB 1 7 ASP H 2.600 . 3.400 2.088 1.954 2.288 . 0 0 "[ . 1]" 1
249 1 6 GLN QB 1 7 ASP H 2.600 . 3.400 2.044 1.923 2.217 . 0 0 "[ . 1]" 1
250 1 6 GLN QB 1 7 ASP H 2.400 . 3.100 2.020 1.906 2.182 . 0 0 "[ . 1]" 1
251 1 6 GLN QB 1 7 ASP H 2.200 . 2.800 2.061 1.935 2.244 . 0 0 "[ . 1]" 1
252 1 6 GLN QB 1 7 ASP HA 3.100 . 4.300 3.831 3.806 3.856 . 0 0 "[ . 1]" 1
253 1 6 GLN QB 1 7 ASP QB 3.100 . 4.300 3.342 3.261 3.428 . 0 0 "[ . 1]" 1
254 1 6 GLN QB 1 7 ASP QB 3.300 . 4.600 3.267 3.187 3.325 . 0 0 "[ . 1]" 1
255 1 6 GLN QB 1 8 ALA H 4.500 . 6.000 4.064 3.882 4.248 . 0 0 "[ . 1]" 1
256 1 6 GLN QB 1 8 ALA MB 3.200 . 4.500 3.710 3.534 3.899 . 0 0 "[ . 1]" 1
257 1 6 GLN QB 1 9 LEU QD 3.300 . 4.700 2.940 2.663 3.522 . 0 0 "[ . 1]" 1
258 1 6 GLN QB 1 10 ARG QG 3.000 . 4.100 3.109 2.883 3.442 . 0 0 "[ . 1]" 1
259 1 6 GLN QB 1 10 ARG QG 2.900 . 4.000 3.550 3.385 3.709 . 0 0 "[ . 1]" 1
260 1 6 GLN QB 1 10 ARG QG 3.400 . 4.800 3.936 3.625 4.415 . 0 0 "[ . 1]" 1
261 1 6 GLN QE 1 6 GLN QG 2.800 . 2.800 2.405 2.205 2.717 . 0 0 "[ . 1]" 1
262 1 6 GLN QE 1 6 GLN QG 3.000 . 4.100 2.231 2.028 2.585 . 0 0 "[ . 1]" 1
263 1 6 GLN QE 1 7 ASP H 3.300 . 4.700 3.199 2.973 3.553 . 0 0 "[ . 1]" 1
264 1 6 GLN QE 1 7 ASP QB 3.600 . 5.300 4.354 4.217 4.514 . 0 0 "[ . 1]" 1
265 1 6 GLN QE 1 9 LEU QB 4.500 . 6.000 4.823 4.096 5.825 . 0 0 "[ . 1]" 1
266 1 6 GLN QE 1 9 LEU QD 3.700 . 5.400 3.785 2.903 4.590 . 0 0 "[ . 1]" 1
267 1 6 GLN QE 1 24 ARG HB2 3.200 . 4.400 4.078 3.654 4.673 0.273 4 0 "[ . 1]" 1
268 1 6 GLN QE 1 32 TRP HH2 2.100 . 2.600 2.209 2.194 2.218 . 0 0 "[ . 1]" 1
269 1 6 GLN QE 1 32 TRP HH2 2.300 . 3.000 4.000 3.482 4.212 1.212 7 9 "[ **-**+***]" 1
270 1 6 GLN QE 1 32 TRP HH2 3.500 . 5.100 5.050 3.680 6.074 0.974 7 3 "[ - +* 1]" 1
271 1 6 GLN QE 1 32 TRP HZ2 4.800 . 6.000 7.067 5.662 8.226 2.226 8 7 "[ ** * *+*-]" 1
272 1 6 GLN QG 1 8 ALA MB 3.400 . 4.900 4.162 3.871 4.496 . 0 0 "[ . 1]" 1
273 1 6 GLN QG 1 7 ASP H 3.000 . 4.100 3.403 3.388 3.423 . 0 0 "[ . 1]" 1
274 1 6 GLN QG 1 7 ASP QB 3.600 . 5.200 4.673 4.627 4.698 . 0 0 "[ . 1]" 1
275 1 7 ASP H 1 7 ASP HA 2.800 . 3.800 2.866 2.845 2.888 . 0 0 "[ . 1]" 1
276 1 7 ASP H 1 7 ASP QB 2.500 . 2.800 2.128 2.067 2.165 . 0 0 "[ . 1]" 1
277 1 7 ASP H 1 8 ALA H 2.400 . 3.100 2.783 2.600 2.829 . 0 0 "[ . 1]" 1
278 1 7 ASP H 1 8 ALA HA 3.000 . 4.100 3.510 3.480 3.530 . 0 0 "[ . 1]" 1
279 1 7 ASP H 1 8 ALA MB 4.300 . 6.000 4.252 4.181 4.308 . 0 0 "[ . 1]" 1
280 1 7 ASP H 1 8 ALA MB 2.900 . 3.900 2.153 1.974 2.465 . 0 0 "[ . 1]" 1
281 1 7 ASP H 1 8 ALA MB 3.400 . 4.800 3.502 3.039 3.793 . 0 0 "[ . 1]" 1
282 1 7 ASP H 1 8 ALA MB 2.500 . 3.300 3.020 2.905 3.097 . 0 0 "[ . 1]" 1
283 1 7 ASP H 1 10 ARG HB3 3.600 . 5.200 4.559 4.455 4.717 . 0 0 "[ . 1]" 1
284 1 7 ASP HA 1 7 ASP QB 2.300 . 2.900 2.367 2.299 2.484 . 0 0 "[ . 1]" 1
285 1 7 ASP HA 1 8 ALA H 3.500 . 5.000 3.580 3.524 3.590 . 0 0 "[ . 1]" 1
286 1 7 ASP HA 1 8 ALA HA 3.400 . 4.800 4.918 4.887 4.940 0.140 10 0 "[ . 1]" 1
287 1 7 ASP HA 1 8 ALA MB 3.500 . 5.000 3.248 2.906 3.732 . 0 0 "[ . 1]" 1
288 1 7 ASP HA 1 10 ARG H 3.500 . 5.000 3.513 3.507 3.520 . 0 0 "[ . 1]" 1
289 1 7 ASP HA 1 10 ARG HA 3.700 . 5.400 4.353 4.315 4.410 . 0 0 "[ . 1]" 1
290 1 7 ASP HA 1 10 ARG HA 3.400 . 4.900 4.110 4.078 4.152 . 0 0 "[ . 1]" 1
291 1 7 ASP HA 1 10 ARG HB2 2.200 . 2.800 2.344 2.171 2.707 . 0 0 "[ . 1]" 1
292 1 7 ASP HA 1 10 ARG QB 2.400 . 3.100 2.322 2.152 2.679 . 0 0 "[ . 1]" 1
293 1 7 ASP HA 1 10 ARG QD 3.900 . 5.800 5.219 4.945 5.710 . 0 0 "[ . 1]" 1
294 1 7 ASP HA 1 10 ARG QG 2.800 . 3.700 3.301 2.926 3.857 0.157 9 0 "[ . 1]" 1
295 1 7 ASP HA 1 11 GLU H 4.000 . 6.000 3.967 3.639 4.306 . 0 0 "[ . 1]" 1
296 1 7 ASP QB 1 8 ALA H 3.000 . 4.100 2.271 2.071 2.729 . 0 0 "[ . 1]" 1
297 1 7 ASP QB 1 8 ALA H 3.100 . 4.300 1.645 1.611 1.676 0.289 3 0 "[ . 1]" 1
298 1 7 ASP QB 1 8 ALA H 3.000 . 4.100 1.626 1.582 1.658 0.318 3 0 "[ . 1]" 1
299 1 7 ASP QB 1 8 ALA H 2.500 . 3.300 1.801 1.748 1.853 . 0 0 "[ . 1]" 1
300 1 7 ASP QB 1 8 ALA HA 3.100 . 4.300 4.138 3.847 4.307 0.007 1 0 "[ . 1]" 1
301 1 7 ASP QB 1 8 ALA HA 3.900 . 5.800 4.053 3.717 4.244 . 0 0 "[ . 1]" 1
302 1 7 ASP QB 1 8 ALA HA 3.600 . 5.200 3.713 2.973 4.141 . 0 0 "[ . 1]" 1
303 1 7 ASP QB 1 8 ALA HA 3.300 . 4.700 3.838 3.658 3.940 . 0 0 "[ . 1]" 1
304 1 7 ASP QB 1 8 ALA HA 3.500 . 5.000 3.641 2.963 3.998 . 0 0 "[ . 1]" 1
305 1 7 ASP QB 1 10 ARG QB 3.500 . 5.000 3.990 3.842 4.092 . 0 0 "[ . 1]" 1
306 1 7 ASP QB 1 10 ARG HB3 4.000 . 6.000 5.631 5.448 5.997 . 0 0 "[ . 1]" 1
307 1 7 ASP QB 1 11 GLU QB 3.500 . 5.000 4.396 4.104 4.627 . 0 0 "[ . 1]" 1
308 1 8 ALA H 1 9 LEU QB 3.800 . 5.600 4.111 3.990 4.272 . 0 0 "[ . 1]" 1
309 1 8 ALA H 1 8 ALA HA 2.600 . 3.400 2.787 2.754 2.845 . 0 0 "[ . 1]" 1
310 1 8 ALA H 1 8 ALA HA 3.100 . 4.300 2.471 2.400 2.509 . 0 0 "[ . 1]" 1
311 1 8 ALA H 1 8 ALA MB 2.400 . 3.100 2.125 2.085 2.170 . 0 0 "[ . 1]" 1
312 1 8 ALA H 1 8 ALA MB 3.100 . 4.300 2.022 1.896 2.127 0.004 10 0 "[ . 1]" 1
313 1 8 ALA H 1 8 ALA MB 2.200 . 2.800 1.974 1.944 2.005 . 0 0 "[ . 1]" 1
314 1 8 ALA H 1 10 ARG H 2.600 . 6.000 4.355 4.013 4.755 . 0 0 "[ . 1]" 1
315 1 8 ALA H 1 12 PHE QB 3.300 . 4.700 4.368 4.242 4.458 . 0 0 "[ . 1]" 1
316 1 8 ALA H 1 27 LEU MD1 3.000 . 4.100 3.488 3.249 3.566 . 0 0 "[ . 1]" 1
317 1 8 ALA H 1 27 LEU HG 3.200 . 4.500 3.777 3.263 4.009 . 0 0 "[ . 1]" 1
318 1 8 ALA H 1 27 LEU QD 4.700 . 6.000 5.258 5.116 5.463 . 0 0 "[ . 1]" 1
319 1 8 ALA HA 1 8 ALA MB 2.300 . 3.000 2.153 2.149 2.157 . 0 0 "[ . 1]" 1
320 1 8 ALA HA 1 8 ALA MB 2.000 . 2.500 2.083 2.065 2.102 . 0 0 "[ . 1]" 1
321 1 8 ALA HA 1 9 LEU H 2.700 . 3.600 3.589 3.562 3.602 0.002 8 0 "[ . 1]" 1
322 1 8 ALA HA 1 9 LEU HA 3.200 . 4.500 4.707 4.680 4.719 0.219 10 0 "[ . 1]" 1
323 1 8 ALA HA 1 9 LEU HA 3.200 . 4.500 4.483 4.392 4.579 0.079 5 0 "[ . 1]" 1
324 1 8 ALA HA 1 9 LEU HA 3.300 . 4.600 4.804 4.778 4.818 0.218 1 0 "[ . 1]" 1
325 1 8 ALA HA 1 9 LEU HA 3.100 . 4.300 4.470 4.296 4.569 0.269 7 0 "[ . 1]" 1
326 1 8 ALA HA 1 9 LEU QD 3.600 . 5.200 4.109 3.628 4.593 . 0 0 "[ . 1]" 1
327 1 8 ALA HA 1 34 LEU QD 3.400 . 4.900 3.806 3.500 4.120 . 0 0 "[ . 1]" 1
328 1 8 ALA HA 1 10 ARG HA 3.700 . 5.400 5.321 5.030 5.677 0.277 5 0 "[ . 1]" 1
329 1 8 ALA HA 1 34 LEU HG 3.300 . 4.700 4.300 4.236 4.410 . 0 0 "[ . 1]" 1
330 1 8 ALA HA 1 11 GLU H 6.000 . 6.000 3.526 3.515 3.533 . 0 0 "[ . 1]" 1
331 1 8 ALA HA 1 11 GLU H 3.100 . 4.300 3.155 3.142 3.164 . 0 0 "[ . 1]" 1
332 1 8 ALA HA 1 11 GLU HA 3.400 . 4.900 5.325 5.061 5.616 0.716 6 4 "[* *.+ - 1]" 1
333 1 8 ALA HA 1 11 GLU HA 3.100 . 4.300 4.492 4.402 4.597 0.297 6 0 "[ . 1]" 1
334 1 8 ALA HA 1 11 GLU HA 3.200 . 4.500 3.897 3.072 4.043 . 0 0 "[ . 1]" 1
335 1 8 ALA HA 1 11 GLU HA 3.100 . 4.300 4.861 4.544 5.151 0.851 6 9 [****-+***1] 1
336 1 8 ALA HA 1 11 GLU HA 2.500 . 3.300 2.462 2.281 2.542 . 0 0 "[ . 1]" 1
337 1 8 ALA HA 1 11 GLU QB 2.400 . 3.100 2.642 2.304 3.010 . 0 0 "[ . 1]" 1
338 1 8 ALA HA 1 11 GLU QB 1.900 . 2.400 2.233 2.031 2.541 0.141 6 0 "[ . 1]" 1
339 1 8 ALA HA 1 11 GLU QB 2.100 . 2.700 2.173 2.003 2.410 . 0 0 "[ . 1]" 1
340 1 8 ALA HA 1 11 GLU QB 3.100 . 4.300 2.107 1.864 2.442 0.036 5 0 "[ . 1]" 1
341 1 8 ALA HA 1 11 GLU QB 2.700 . 3.600 2.243 2.038 2.563 . 0 0 "[ . 1]" 1
342 1 8 ALA HA 1 11 GLU QB 2.300 . 3.000 2.176 2.005 2.417 . 0 0 "[ . 1]" 1
343 1 8 ALA HA 1 11 GLU QB 2.700 . 3.600 2.404 2.105 2.615 . 0 0 "[ . 1]" 1
344 1 8 ALA HA 1 11 GLU QB 3.100 . 4.300 2.595 2.288 2.914 . 0 0 "[ . 1]" 1
345 1 8 ALA HA 1 11 GLU QB 3.000 . 4.100 2.404 1.923 2.881 . 0 0 "[ . 1]" 1
346 1 8 ALA HA 1 11 GLU QG 3.100 . 4.300 4.140 3.488 4.822 0.522 1 1 "[+ . 1]" 1
347 1 8 ALA HA 1 11 GLU HG2 2.700 . 3.600 2.755 2.357 2.888 . 0 0 "[ . 1]" 1
348 1 8 ALA HA 1 11 GLU HG3 3.700 . 5.400 5.017 3.736 5.848 0.448 6 0 "[ . 1]" 1
349 1 8 ALA HA 1 11 GLU HG3 3.700 . 5.400 4.068 3.553 4.483 . 0 0 "[ . 1]" 1
350 1 8 ALA HA 1 12 PHE H 4.500 . 6.000 4.579 4.186 4.715 . 0 0 "[ . 1]" 1
351 1 8 ALA HA 1 12 PHE HA 4.200 . 6.000 6.712 6.144 6.994 0.994 6 8 "[*-***+** 1]" 1
352 1 8 ALA HA 1 12 PHE QB 3.700 . 5.400 4.538 4.302 4.659 . 0 0 "[ . 1]" 1
353 1 8 ALA HA 1 12 PHE QB 3.600 . 5.200 4.315 3.030 4.944 . 0 0 "[ . 1]" 1
354 1 8 ALA HA 1 34 LEU QD 2.900 . 3.900 3.005 2.674 3.360 . 0 0 "[ . 1]" 1
355 1 8 ALA HA 1 34 LEU QD 3.400 . 4.800 3.035 2.683 3.417 . 0 0 "[ . 1]" 1
356 1 8 ALA HA 1 32 TRP QB 3.600 . 5.200 4.398 4.263 4.490 . 0 0 "[ . 1]" 1
357 1 8 ALA HA 1 32 TRP QB 3.700 . 5.400 4.189 4.090 4.302 . 0 0 "[ . 1]" 1
358 1 8 ALA HA 1 32 TRP QB 3.200 . 4.500 4.530 4.358 4.698 0.198 8 0 "[ . 1]" 1
359 1 8 ALA HA 1 32 TRP HE3 3.800 . 5.600 4.650 4.365 5.203 . 0 0 "[ . 1]" 1
360 1 8 ALA HA 1 32 TRP QB 3.300 . 4.700 4.652 4.413 4.798 0.098 7 0 "[ . 1]" 1
361 1 8 ALA HA 1 32 TRP HE3 3.400 . 4.800 3.935 3.723 4.080 . 0 0 "[ . 1]" 1
362 1 8 ALA HA 1 32 TRP QB 3.100 . 4.300 4.438 4.197 4.649 0.349 6 0 "[ . 1]" 1
363 1 8 ALA HA 1 27 LEU HG 3.800 . 5.600 5.683 5.504 5.966 0.366 6 0 "[ . 1]" 1
364 1 8 ALA HA 1 27 LEU QD 3.300 . 4.700 4.669 4.330 4.917 0.217 3 0 "[ . 1]" 1
365 1 8 ALA HA 1 34 LEU HB2 3.300 . 4.600 3.849 3.770 3.900 . 0 0 "[ . 1]" 1
366 1 8 ALA MB 1 9 LEU H 2.000 . 2.500 1.879 1.812 1.967 . 0 0 "[ . 1]" 1
367 1 8 ALA MB 1 9 LEU HA 2.300 . 3.000 2.273 2.179 2.502 . 0 0 "[ . 1]" 1
368 1 8 ALA MB 1 9 LEU HA 2.100 . 2.700 2.563 2.525 2.667 . 0 0 "[ . 1]" 1
369 1 8 ALA MB 1 32 TRP QB 3.500 . 5.000 2.829 2.573 3.021 . 0 0 "[ . 1]" 1
370 1 8 ALA MB 1 27 LEU MD1 2.000 . 2.500 1.915 1.602 3.174 0.674 10 1 "[ . +]" 1
371 1 8 ALA MB 1 12 PHE QB 3.400 . 4.900 3.701 3.384 3.916 . 0 0 "[ . 1]" 1
372 1 8 ALA MB 1 34 LEU QD 3.500 . 5.100 3.075 2.005 3.711 . 0 0 "[ . 1]" 1
373 1 8 ALA MB 1 32 TRP QB 3.300 . 4.700 2.780 2.559 2.926 . 0 0 "[ . 1]" 1
374 1 8 ALA MB 1 27 LEU HG 2.800 . 3.800 2.998 1.954 4.308 0.508 10 1 "[ . +]" 1
375 1 8 ALA MB 1 32 TRP HA 3.100 . 4.300 3.945 3.739 4.288 . 0 0 "[ . 1]" 1
376 1 8 ALA MB 1 32 TRP QB 2.300 . 3.000 2.850 2.582 3.053 0.053 6 0 "[ . 1]" 1
377 1 8 ALA MB 1 32 TRP QB 2.200 . 2.800 2.021 1.994 2.035 . 0 0 "[ . 1]" 1
378 1 8 ALA MB 1 32 TRP QB 1.900 . 2.400 1.862 1.847 1.870 . 0 0 "[ . 1]" 1
379 1 8 ALA MB 1 32 TRP HE3 2.300 . 3.000 2.245 2.104 2.479 . 0 0 "[ . 1]" 1
380 1 8 ALA MB 1 11 GLU H 3.900 . 5.800 3.887 3.863 3.913 . 0 0 "[ . 1]" 1
381 1 8 ALA MB 1 11 GLU QB 3.900 . 5.800 3.531 3.364 3.681 . 0 0 "[ . 1]" 1
382 1 8 ALA MB 1 11 GLU QB 3.800 . 5.600 3.499 3.326 3.640 . 0 0 "[ . 1]" 1
383 1 8 ALA MB 1 11 GLU QB 2.000 . 2.500 2.048 2.021 2.089 . 0 0 "[ . 1]" 1
384 1 8 ALA MB 1 11 GLU QB 3.700 . 5.400 3.639 3.474 3.963 . 0 0 "[ . 1]" 1
385 1 8 ALA MB 1 32 TRP QB 3.400 . 4.900 2.945 2.651 3.137 . 0 0 "[ . 1]" 1
386 1 8 ALA MB 1 32 TRP HE3 2.300 . 2.900 2.618 2.484 2.703 . 0 0 "[ . 1]" 1
387 1 8 ALA MB 1 32 TRP QB 3.100 . 4.300 2.874 2.630 3.070 . 0 0 "[ . 1]" 1
388 1 8 ALA MB 1 32 TRP HD1 3.500 . 5.100 3.644 3.418 3.797 . 0 0 "[ . 1]" 1
389 1 8 ALA MB 1 33 ASP H 4.000 . 6.000 5.573 5.362 5.986 . 0 0 "[ . 1]" 1
390 1 9 LEU H 1 9 LEU HA 2.700 . 3.600 2.851 2.822 2.878 . 0 0 "[ . 1]" 1
391 1 9 LEU H 1 9 LEU QB . . 2.700 2.087 1.979 2.291 0.021 10 0 "[ . 1]" 1
392 1 9 LEU H 1 9 LEU QB 2.700 . 3.600 1.960 1.885 2.021 . 0 0 "[ . 1]" 1
393 1 9 LEU H 1 9 LEU QD 3.600 . 5.200 2.989 2.708 3.268 . 0 0 "[ . 1]" 1
394 1 9 LEU H 1 10 ARG H 2.600 . 3.400 2.833 2.812 2.858 . 0 0 "[ . 1]" 1
395 1 9 LEU H 1 10 ARG QG 3.400 . 4.900 3.413 1.794 3.637 0.106 2 0 "[ . 1]" 1
396 1 9 LEU H 1 12 PHE H 4.300 . 6.000 3.462 3.374 3.556 . 0 0 "[ . 1]" 1
397 1 9 LEU H 1 12 PHE QB 3.600 . 5.200 3.856 3.825 3.892 . 0 0 "[ . 1]" 1
398 1 9 LEU H 1 26 PHE H 3.300 . 6.000 5.113 5.081 5.134 . 0 0 "[ . 1]" 1
399 1 9 LEU H 1 24 ARG HG3 2.800 . 3.800 3.489 3.362 3.636 . 0 0 "[ . 1]" 1
400 1 9 LEU H 1 24 ARG QG 3.800 . 5.600 5.295 4.616 6.211 0.611 9 1 "[ . +1]" 1
401 1 9 LEU H 1 27 LEU QD 2.700 . 3.600 3.131 2.870 3.613 0.013 9 0 "[ . 1]" 1
402 1 9 LEU H 1 32 TRP QB 3.400 . 4.900 4.219 3.789 4.971 0.071 9 0 "[ . 1]" 1
403 1 9 LEU HA 1 10 ARG HB3 4.100 . 6.000 5.325 5.192 5.536 . 0 0 "[ . 1]" 1
404 1 9 LEU HA 1 11 GLU QB 3.300 . 4.700 4.212 4.132 4.292 . 0 0 "[ . 1]" 1
405 1 9 LEU HA 1 27 LEU MD1 2.200 . 2.800 1.940 1.643 2.209 . 0 0 "[ . 1]" 1
406 1 9 LEU HA 1 9 LEU QB 2.400 . 3.100 2.221 2.141 2.408 . 0 0 "[ . 1]" 1
407 1 9 LEU HA 1 9 LEU QB 2.100 . 2.600 2.105 2.051 2.223 . 0 0 "[ . 1]" 1
408 1 9 LEU HA 1 9 LEU QD 2.400 . 3.100 1.856 1.680 2.302 0.020 9 0 "[ . 1]" 1
409 1 9 LEU HA 1 9 LEU QD 3.100 . 4.300 2.020 1.697 2.635 0.203 3 0 "[ . 1]" 1
410 1 9 LEU HA 1 9 LEU QD 3.100 . 4.300 1.956 1.709 2.679 0.191 9 0 "[ . 1]" 1
411 1 9 LEU HA 1 10 ARG H 6.000 . 6.000 3.601 3.582 3.618 . 0 0 "[ . 1]" 1
412 1 9 LEU HA 1 12 PHE QB 2.700 . 3.600 1.639 1.543 1.678 0.257 6 0 "[ . 1]" 1
413 1 9 LEU HA 1 12 PHE QB 3.100 . 4.300 1.643 1.547 1.683 0.353 6 0 "[ . 1]" 1
414 1 9 LEU HA 1 12 PHE QB 2.800 . 3.800 1.643 1.547 1.683 0.253 6 0 "[ . 1]" 1
415 1 9 LEU HA 1 12 PHE QB 3.000 . 4.200 1.641 1.545 1.681 0.255 6 0 "[ . 1]" 1
416 1 9 LEU HA 1 24 ARG HG3 2.700 . 3.600 2.599 2.553 2.719 . 0 0 "[ . 1]" 1
417 1 9 LEU HA 1 11 GLU HA 2.800 . 3.800 3.993 3.974 4.018 0.218 1 0 "[ . 1]" 1
418 1 9 LEU HA 1 11 GLU HA 3.200 . 4.500 4.429 4.261 4.529 0.029 7 0 "[ . 1]" 1
419 1 9 LEU HA 1 12 PHE HA 3.100 . 4.300 3.954 3.809 4.129 . 0 0 "[ . 1]" 1
420 1 9 LEU HA 1 32 TRP HA 3.600 . 5.200 4.161 3.651 4.621 . 0 0 "[ . 1]" 1
421 1 9 LEU HA 1 10 ARG HB2 3.700 . 5.400 4.784 4.716 4.912 . 0 0 "[ . 1]" 1
422 1 9 LEU HA 1 11 GLU H 2.500 . 3.300 3.644 3.425 3.913 0.613 4 3 "[* +. - 1]" 1
423 1 9 LEU HA 1 11 GLU QB 3.600 . 5.200 4.260 4.160 4.366 . 0 0 "[ . 1]" 1
424 1 9 LEU HA 1 12 PHE H 3.100 . 4.300 3.194 3.141 3.246 . 0 0 "[ . 1]" 1
425 1 9 LEU HA 1 12 PHE HA 3.300 . 4.700 4.286 4.045 4.605 . 0 0 "[ . 1]" 1
426 1 9 LEU HA 1 12 PHE QB 3.000 . 4.100 2.400 2.201 2.556 . 0 0 "[ . 1]" 1
427 1 9 LEU HA 1 12 PHE QB 2.600 . 3.500 2.463 2.351 2.562 . 0 0 "[ . 1]" 1
428 1 9 LEU HA 1 12 PHE QB 3.100 . 4.300 2.411 2.304 2.508 . 0 0 "[ . 1]" 1
429 1 9 LEU HA 1 12 PHE QB 2.400 . 3.100 2.470 2.355 2.570 . 0 0 "[ . 1]" 1
430 1 9 LEU HA 1 12 PHE QD 3.100 . 4.300 2.971 1.868 3.578 0.032 8 0 "[ . 1]" 1
431 1 9 LEU HA 1 23 ALA MB 2.300 . 2.900 2.277 1.778 2.846 . 0 0 "[ . 1]" 1
432 1 9 LEU HA 1 24 ARG HA 3.800 . 5.600 4.378 4.105 4.477 . 0 0 "[ . 1]" 1
433 1 9 LEU HA 1 27 LEU HA 3.900 . 5.800 3.770 3.345 4.338 . 0 0 "[ . 1]" 1
434 1 9 LEU HA 1 27 LEU QB . . 3.800 3.904 3.517 4.477 0.677 9 1 "[ . +1]" 1
435 1 9 LEU HA 1 27 LEU QD 3.200 . 4.500 1.948 1.643 2.235 0.257 6 0 "[ . 1]" 1
436 1 9 LEU HA 1 27 LEU HG 1.900 . 2.300 2.659 1.871 4.715 2.415 10 3 "[ .- *+]" 1
437 1 9 LEU HA 1 28 GLU H 5.200 . 6.000 5.033 4.889 5.189 . 0 0 "[ . 1]" 1
438 1 9 LEU HA 1 28 GLU QG 4.400 . 6.000 7.786 7.376 8.577 2.577 9 10 [****-***+*] 1
439 1 9 LEU HA 1 32 TRP HA 4.200 . 6.000 4.692 4.211 5.343 . 0 0 "[ . 1]" 1
440 1 9 LEU HA 1 32 TRP HA 3.800 . 5.600 3.596 3.497 3.773 . 0 0 "[ . 1]" 1
441 1 9 LEU QB 1 12 PHE QB 3.300 . 4.700 3.044 2.903 3.255 . 0 0 "[ . 1]" 1
442 1 9 LEU QB 1 25 PHE H 3.200 . 4.500 3.332 2.756 4.423 . 0 0 "[ . 1]" 1
443 1 9 LEU QB 1 32 TRP QB 4.000 . 6.000 3.416 2.682 3.971 . 0 0 "[ . 1]" 1
444 1 9 LEU QB 1 9 LEU QD 3.300 . 4.700 1.732 1.597 1.938 0.303 6 0 "[ . 1]" 1
445 1 9 LEU QB 1 9 LEU QD 2.400 . 3.100 1.728 1.596 1.922 0.104 6 0 "[ . 1]" 1
446 1 9 LEU QB 1 9 LEU QD 2.700 . 3.600 1.848 1.747 1.931 0.053 6 0 "[ . 1]" 1
447 1 9 LEU QB 1 9 LEU QD 2.700 . 3.100 1.854 1.735 1.943 0.065 6 0 "[ . 1]" 1
448 1 9 LEU QB 1 9 LEU QD 2.900 . 3.900 1.878 1.762 1.966 0.138 6 0 "[ . 1]" 1
449 1 9 LEU QB 1 32 TRP QB 2.900 . 3.900 2.604 2.517 2.733 . 0 0 "[ . 1]" 1
450 1 9 LEU HB2 1 9 LEU HB3 1.600 . 2.200 1.657 1.646 1.661 . 0 0 "[ . 1]" 1
451 1 9 LEU QB 1 28 GLU HG2 3.200 . 4.400 3.474 3.383 3.533 . 0 0 "[ . 1]" 1
452 1 9 LEU QB 1 24 ARG HG3 1.900 . 2.400 2.143 2.040 2.189 . 0 0 "[ . 1]" 1
453 1 9 LEU QB 1 24 ARG HA 1.900 . 2.300 1.871 1.854 1.881 . 0 0 "[ . 1]" 1
454 1 9 LEU QB 1 23 ALA MB 3.200 . 4.400 2.923 1.997 3.311 0.003 6 0 "[ . 1]" 1
455 1 9 LEU QB 1 23 ALA MB 3.200 . 4.400 2.831 1.989 3.220 0.011 6 0 "[ . 1]" 1
456 1 9 LEU QB 1 23 ALA MB 3.100 . 4.300 2.953 1.997 3.418 . 0 0 "[ . 1]" 1
457 1 9 LEU QB 1 20 GLU HA 3.300 . 4.700 3.668 3.235 3.910 . 0 0 "[ . 1]" 1
458 1 9 LEU QB 1 20 GLU HA 3.500 . 5.000 4.001 3.317 4.463 . 0 0 "[ . 1]" 1
459 1 9 LEU QB 1 12 PHE QB 2.900 . 3.900 3.282 3.100 3.384 . 0 0 "[ . 1]" 1
460 1 9 LEU QB 1 23 ALA MB 2.900 . 3.900 2.403 1.951 2.583 . 0 0 "[ . 1]" 1
461 1 9 LEU QB 1 23 ALA MB 3.000 . 4.100 2.406 1.952 2.586 . 0 0 "[ . 1]" 1
462 1 9 LEU QB 1 24 ARG QG 2.400 . 3.100 3.103 2.391 3.763 0.663 9 2 "[ . +-]" 1
463 1 9 LEU QB 1 24 ARG QG 2.500 . 3.300 3.093 2.389 3.734 0.434 9 0 "[ . 1]" 1
464 1 9 LEU QB 1 30 ALA H 3.200 . 4.500 4.204 3.630 4.630 0.130 1 0 "[ . 1]" 1
465 1 9 LEU QB 1 23 ALA MB 3.300 . 4.700 2.844 1.988 3.300 . 0 0 "[ . 1]" 1
466 1 9 LEU QB 1 27 LEU HA 3.700 . 5.400 3.341 3.022 3.642 . 0 0 "[ . 1]" 1
467 1 9 LEU QB 1 32 TRP QB 2.900 . 3.900 3.362 3.031 3.645 . 0 0 "[ . 1]" 1
468 1 9 LEU QB 1 24 ARG HA 2.100 . 2.600 2.235 2.037 2.674 0.074 7 0 "[ . 1]" 1
469 1 9 LEU QB 1 27 LEU HA 3.300 . 4.600 3.421 3.058 3.815 . 0 0 "[ . 1]" 1
470 1 9 LEU QB 1 27 LEU HA 3.300 . 4.700 3.908 3.723 4.583 . 0 0 "[ . 1]" 1
471 1 9 LEU QB 1 25 PHE H 3.100 . 4.300 2.295 1.840 2.929 0.060 3 0 "[ . 1]" 1
472 1 9 LEU QB 1 32 TRP QB 3.800 . 5.600 3.522 3.078 4.014 . 0 0 "[ . 1]" 1
473 1 9 LEU QB 1 32 TRP QB 3.800 . 5.600 3.697 3.162 4.289 . 0 0 "[ . 1]" 1
474 1 9 LEU QB 1 26 PHE QD 3.300 . 4.600 4.547 3.052 4.896 0.296 4 0 "[ . 1]" 1
475 1 9 LEU QB 1 24 ARG HA 3.700 . 5.400 3.583 2.847 4.857 . 0 0 "[ . 1]" 1
476 1 9 LEU QB 1 24 ARG QG 2.200 . 2.800 2.302 2.100 2.494 . 0 0 "[ . 1]" 1
477 1 9 LEU QB 1 27 LEU QB 3.800 . 5.600 3.366 2.595 4.249 . 0 0 "[ . 1]" 1
478 1 9 LEU QB 1 24 ARG QG 2.600 . 3.400 3.115 2.392 3.786 0.386 9 0 "[ . 1]" 1
479 1 9 LEU QB 1 27 LEU QB 3.100 . 4.100 3.548 2.610 4.797 0.697 10 1 "[ . +]" 1
480 1 9 LEU QB 1 27 LEU QD 2.500 . 3.300 1.937 1.603 3.259 0.197 6 0 "[ . 1]" 1
481 1 9 LEU QB 1 27 LEU HG 1.900 . 2.300 3.482 2.020 6.209 3.909 10 7 "[ ** -** *+]" 1
482 1 9 LEU QB 1 28 GLU H 3.800 . 5.600 4.889 4.368 5.580 . 0 0 "[ . 1]" 1
483 1 9 LEU QB 1 28 GLU HA 4.300 . 6.000 6.297 5.612 7.674 1.674 9 3 "[ .- +*]" 1
484 1 9 LEU QB 1 32 TRP HA 3.900 . 4.100 4.164 3.851 4.650 0.550 10 2 "[ .- +]" 1
485 1 9 LEU QB 1 32 TRP HH2 3.100 . 4.300 3.453 3.260 3.910 . 0 0 "[ . 1]" 1
486 1 9 LEU QB 1 28 GLU QG 3.500 . 5.000 6.416 5.615 7.672 2.672 9 10 [-*******+*] 1
487 1 9 LEU QB 1 32 TRP HA 4.300 . 5.000 4.990 4.423 6.132 1.132 10 2 "[ . -+]" 1
488 1 9 LEU QD 1 10 ARG H 3.500 . 5.000 2.370 1.804 3.339 0.196 5 0 "[ . 1]" 1
489 1 9 LEU QD 1 10 ARG QG 3.400 . 4.800 1.766 1.642 1.942 0.358 1 0 "[ . 1]" 1
490 1 9 LEU QD 1 11 GLU H 3.300 . 4.700 2.476 1.957 3.125 . 0 0 "[ . 1]" 1
491 1 9 LEU QD 1 11 GLU QB 3.100 . 4.300 3.893 3.537 4.139 . 0 0 "[ . 1]" 1
492 1 9 LEU QD 1 20 GLU QG 2.400 . 3.100 3.002 2.507 3.413 0.313 2 0 "[ . 1]" 1
493 1 9 LEU QD 1 20 GLU QG 3.300 . 4.700 3.040 2.519 3.451 . 0 0 "[ . 1]" 1
494 1 9 LEU QD 1 20 GLU HA 2.500 . 3.300 1.641 1.476 2.110 0.224 9 0 "[ . 1]" 1
495 1 9 LEU QD 1 12 PHE QD 3.600 . 5.200 1.999 1.571 2.768 0.429 6 0 "[ . 1]" 1
496 1 9 LEU QD 1 13 VAL HB 3.400 . 4.900 3.012 2.688 3.504 . 0 0 "[ . 1]" 1
497 1 9 LEU QD 1 13 VAL HB 3.600 . 5.200 3.080 2.717 3.568 . 0 0 "[ . 1]" 1
498 1 9 LEU QD 1 24 ARG HB2 2.200 . 2.800 1.772 1.595 1.882 0.005 10 0 "[ . 1]" 1
499 1 9 LEU QD 1 24 ARG HA 3.000 . 4.100 2.308 1.698 2.854 0.202 7 0 "[ . 1]" 1
500 1 9 LEU QD 1 24 ARG QG 3.000 . 4.200 1.931 1.619 2.903 0.181 7 0 "[ . 1]" 1
501 1 9 LEU QD 1 27 LEU HG 3.100 . 4.300 1.618 1.439 1.986 0.461 3 0 "[ . 1]" 1
502 1 9 LEU QD 1 20 GLU HA 2.800 . 3.800 2.246 1.771 2.742 0.029 9 0 "[ . 1]" 1
503 1 9 LEU QD 1 21 ASP HA 3.800 . 5.600 4.279 3.681 5.026 . 0 0 "[ . 1]" 1
504 1 9 LEU QD 1 21 ASP HA 3.700 . 5.400 3.301 2.918 3.674 . 0 0 "[ . 1]" 1
505 1 9 LEU QD 1 23 ALA H 3.400 . 4.800 2.466 1.940 3.122 0.060 10 0 "[ . 1]" 1
506 1 9 LEU QD 1 23 ALA MB 3.200 . 4.500 1.671 1.464 2.025 0.436 10 0 "[ . 1]" 1
507 1 9 LEU QD 1 24 ARG H 2.900 . 4.000 2.510 1.959 3.228 . 0 0 "[ . 1]" 1
508 1 9 LEU QD 1 24 ARG H 3.000 . 4.100 1.950 1.534 2.904 0.366 10 0 "[ . 1]" 1
509 1 9 LEU QD 1 24 ARG QG 2.800 . 3.800 2.452 1.652 3.844 0.148 7 0 "[ . 1]" 1
510 1 9 LEU QD 1 24 ARG HG3 3.000 . 4.100 1.780 1.585 2.058 0.315 10 0 "[ . 1]" 1
511 1 9 LEU QD 1 27 LEU QB 3.900 . 5.800 3.104 2.145 4.166 . 0 0 "[ . 1]" 1
512 1 10 ARG H 1 10 ARG HA 2.600 . 3.400 2.818 2.799 2.829 . 0 0 "[ . 1]" 1
513 1 10 ARG H 1 10 ARG HA 3.000 . 4.100 2.400 2.381 2.428 . 0 0 "[ . 1]" 1
514 1 10 ARG H 1 10 ARG HA 2.000 . 2.500 2.438 2.415 2.471 . 0 0 "[ . 1]" 1
515 1 10 ARG H 1 10 ARG QB 2.000 . 2.500 2.165 2.136 2.210 . 0 0 "[ . 1]" 1
516 1 10 ARG H 1 10 ARG HB2 1.900 . 2.400 2.131 1.902 2.208 . 0 0 "[ . 1]" 1
517 1 10 ARG H 1 10 ARG HB2 1.900 . 2.400 2.083 1.894 2.162 . 0 0 "[ . 1]" 1
518 1 10 ARG H 1 10 ARG HB3 3.900 . 5.800 3.489 3.478 3.499 . 0 0 "[ . 1]" 1
519 1 10 ARG H 1 10 ARG QD 4.400 . 6.000 3.706 3.470 3.795 . 0 0 "[ . 1]" 1
520 1 10 ARG H 1 10 ARG QG 2.600 . 3.400 2.348 2.219 2.404 . 0 0 "[ . 1]" 1
521 1 10 ARG H 1 10 ARG QG 2.500 . 3.300 2.346 2.218 2.402 . 0 0 "[ . 1]" 1
522 1 10 ARG H 1 11 GLU H 2.600 . 3.400 2.785 2.739 2.815 . 0 0 "[ . 1]" 1
523 1 10 ARG H 1 11 GLU QB 3.800 . 5.600 3.976 3.907 4.055 . 0 0 "[ . 1]" 1
524 1 10 ARG H 1 12 PHE H 4.300 . 6.000 4.014 3.939 4.111 . 0 0 "[ . 1]" 1
525 1 10 ARG H 1 12 PHE QB 3.500 . 5.000 4.424 4.286 4.529 . 0 0 "[ . 1]" 1
526 1 10 ARG H 1 13 VAL H 4.700 . 6.000 4.381 4.307 4.486 . 0 0 "[ . 1]" 1
527 1 10 ARG H 1 13 VAL QG 4.900 . 6.000 3.806 3.613 4.093 . 0 0 "[ . 1]" 1
528 1 10 ARG HA 1 10 ARG HB3 2.500 . 3.300 2.619 2.579 2.639 . 0 0 "[ . 1]" 1
529 1 10 ARG HA 1 10 ARG HB3 2.600 . 3.500 2.108 1.880 2.307 . 0 0 "[ . 1]" 1
530 1 10 ARG HA 1 10 ARG HB3 2.000 . 2.500 2.270 1.921 2.573 0.073 4 0 "[ . 1]" 1
531 1 10 ARG HA 1 10 ARG HB3 2.700 . 3.600 2.452 2.292 2.556 . 0 0 "[ . 1]" 1
532 1 10 ARG HA 1 10 ARG QD 3.100 . 4.300 1.667 1.567 1.717 0.333 6 0 "[ . 1]" 1
533 1 10 ARG HA 1 10 ARG QG 2.700 . 3.600 2.432 2.274 2.579 . 0 0 "[ . 1]" 1
534 1 10 ARG HA 1 10 ARG QG 2.300 . 2.900 2.252 2.226 2.315 . 0 0 "[ . 1]" 1
535 1 10 ARG HA 1 10 ARG QG 2.700 . 3.600 2.259 1.927 2.572 . 0 0 "[ . 1]" 1
536 1 10 ARG HA 1 11 GLU H 6.000 . 6.000 3.573 3.557 3.593 . 0 0 "[ . 1]" 1
537 1 10 ARG HA 1 11 GLU HA 3.400 . 4.800 3.800 3.758 3.832 . 0 0 "[ . 1]" 1
538 1 10 ARG HA 1 12 PHE HA 3.000 . 4.100 4.120 3.934 4.342 0.242 10 0 "[ . 1]" 1
539 1 10 ARG HA 1 12 PHE QB 3.600 . 5.300 3.866 3.585 4.074 . 0 0 "[ . 1]" 1
540 1 10 ARG HA 1 13 VAL H 2.600 . 3.400 2.830 2.717 2.997 . 0 0 "[ . 1]" 1
541 1 10 ARG HA 1 13 VAL HA 3.700 . 5.400 3.803 3.760 3.902 . 0 0 "[ . 1]" 1
542 1 10 ARG HA 1 13 VAL HB 1.800 . 2.200 1.849 1.740 1.986 . 0 0 "[ . 1]" 1
543 1 10 ARG HA 1 13 VAL QG 2.400 . 3.100 2.391 2.120 2.638 . 0 0 "[ . 1]" 1
544 1 10 ARG HA 1 13 VAL QG 2.400 . 3.100 2.049 1.712 2.410 0.088 4 0 "[ . 1]" 1
545 1 10 ARG HA 1 14 ALA H 4.300 . 6.000 3.808 3.641 4.067 . 0 0 "[ . 1]" 1
546 1 10 ARG HA 1 20 GLU HA 3.300 . 4.600 4.001 3.614 4.245 . 0 0 "[ . 1]" 1
547 1 10 ARG HA 1 23 ALA MB 3.300 . 4.700 3.495 3.002 4.220 . 0 0 "[ . 1]" 1
548 1 10 ARG QB 1 10 ARG QD 2.900 . 4.000 2.657 2.624 2.755 . 0 0 "[ . 1]" 1
549 1 10 ARG QB 1 10 ARG QD 2.400 . 3.100 2.588 2.562 2.659 . 0 0 "[ . 1]" 1
550 1 10 ARG QB 1 10 ARG QD 2.300 . 3.000 2.556 2.532 2.616 . 0 0 "[ . 1]" 1
551 1 10 ARG QB 1 10 ARG HE 3.100 . 4.300 2.123 1.954 2.419 . 0 0 "[ . 1]" 1
552 1 10 ARG QB 1 10 ARG QG . . 2.600 2.029 2.021 2.033 . 0 0 "[ . 1]" 1
553 1 10 ARG QB 1 10 ARG QG 3.200 . 4.500 1.926 1.884 1.945 0.016 2 0 "[ . 1]" 1
554 1 10 ARG QB 1 11 GLU H 2.600 . 3.500 2.013 1.992 2.053 . 0 0 "[ . 1]" 1
555 1 10 ARG QB 1 13 VAL HA 3.600 . 5.200 5.247 5.094 5.418 0.218 3 0 "[ . 1]" 1
556 1 10 ARG HB2 1 11 GLU QB 3.600 . 5.200 3.484 3.396 3.548 . 0 0 "[ . 1]" 1
557 1 10 ARG QB 1 13 VAL QG 3.000 . 4.100 2.538 2.469 2.629 . 0 0 "[ . 1]" 1
558 1 10 ARG QB 1 13 VAL HA 3.800 . 5.600 5.508 4.943 5.758 0.158 6 0 "[ . 1]" 1
559 1 10 ARG QB 1 13 VAL HB 2.700 . 3.600 3.691 3.580 3.774 0.174 6 0 "[ . 1]" 1
560 1 10 ARG HB2 1 10 ARG HE 4.500 . 6.000 3.571 3.422 3.890 . 0 0 "[ . 1]" 1
561 1 10 ARG HB2 1 10 ARG QG 3.100 . 4.300 2.034 1.972 2.065 . 0 0 "[ . 1]" 1
562 1 10 ARG HB2 1 11 GLU HA 3.400 . 4.800 4.404 4.097 4.580 . 0 0 "[ . 1]" 1
563 1 10 ARG HB3 1 10 ARG HE 2.300 . 3.000 2.049 1.695 2.326 . 0 0 "[ . 1]" 1
564 1 10 ARG HB3 1 10 ARG QG 2.000 . 2.500 2.025 1.960 2.063 . 0 0 "[ . 1]" 1
565 1 10 ARG HB3 1 13 VAL HB 3.100 . 4.300 2.048 2.021 2.088 . 0 0 "[ . 1]" 1
566 1 10 ARG HB3 1 13 VAL QG 3.700 . 5.400 4.145 3.960 4.246 . 0 0 "[ . 1]" 1
567 1 10 ARG QD 1 10 ARG HE 2.300 . 3.000 2.169 2.095 2.197 . 0 0 "[ . 1]" 1
568 1 10 ARG QD 1 10 ARG HE 3.000 . 4.100 2.174 2.103 2.202 . 0 0 "[ . 1]" 1
569 1 10 ARG QD 1 10 ARG QG 3.000 . 4.100 2.057 2.054 2.060 . 0 0 "[ . 1]" 1
570 1 10 ARG QD 1 10 ARG QG 3.100 . 4.300 2.054 2.046 2.058 . 0 0 "[ . 1]" 1
571 1 10 ARG QD 1 11 GLU H 5.000 . 6.000 4.820 4.813 4.830 . 0 0 "[ . 1]" 1
572 1 10 ARG QD 1 11 GLU HA 3.000 . 4.100 4.115 4.061 4.143 0.043 5 0 "[ . 1]" 1
573 1 10 ARG QD 1 13 VAL QG 2.700 . 3.600 2.215 2.077 2.277 . 0 0 "[ . 1]" 1
574 1 10 ARG QD 1 13 VAL QG 2.200 . 2.800 1.914 1.774 1.977 . 0 0 "[ . 1]" 1
575 1 10 ARG QD 1 13 VAL QG 2.600 . 3.400 2.116 1.881 2.260 . 0 0 "[ . 1]" 1
576 1 10 ARG QD 1 13 VAL QG 3.100 . 3.600 2.202 1.905 2.391 . 0 0 "[ . 1]" 1
577 1 10 ARG QD 1 13 VAL HB 3.000 . 4.100 2.223 2.118 2.334 . 0 0 "[ . 1]" 1
578 1 10 ARG QD 1 19 GLU QG 3.500 . 5.000 5.175 4.767 5.448 0.448 3 0 "[ . 1]" 1
579 1 10 ARG QD 1 20 GLU HA 3.400 . 4.900 3.569 2.378 4.289 . 0 0 "[ . 1]" 1
580 1 10 ARG QD 1 20 GLU HA 3.400 . 4.800 3.501 2.375 4.102 . 0 0 "[ . 1]" 1
581 1 10 ARG QD 1 20 GLU QG 3.000 . 4.100 4.560 3.480 5.099 0.999 3 5 "[ +*. *- *]" 1
582 1 10 ARG QD 1 20 GLU QG 2.400 . 3.100 2.512 2.474 2.522 . 0 0 "[ . 1]" 1
583 1 10 ARG HE 1 10 ARG QG 3.000 . 4.100 2.484 2.206 3.023 . 0 0 "[ . 1]" 1
584 1 10 ARG HE 1 10 ARG QG 3.000 . 4.100 2.418 2.179 2.840 . 0 0 "[ . 1]" 1
585 1 10 ARG HE 1 13 VAL HB 3.700 . 5.400 4.272 3.709 4.712 . 0 0 "[ . 1]" 1
586 1 10 ARG HE 1 13 VAL QG 3.500 . 5.000 3.603 3.235 3.764 . 0 0 "[ . 1]" 1
587 1 10 ARG QG 1 11 GLU H 5.000 . 6.000 4.231 4.186 4.268 . 0 0 "[ . 1]" 1
588 1 10 ARG QG 1 11 GLU H 2.300 . 3.000 2.185 2.091 2.235 . 0 0 "[ . 1]" 1
589 1 10 ARG QG 1 11 GLU H 3.100 . 4.300 3.364 3.289 3.454 . 0 0 "[ . 1]" 1
590 1 10 ARG QG 1 11 GLU HA 3.600 . 5.200 4.769 4.105 5.113 . 0 0 "[ . 1]" 1
591 1 10 ARG QG 1 13 VAL HB 3.600 . 5.200 3.569 3.529 3.636 . 0 0 "[ . 1]" 1
592 1 10 ARG QG 1 13 VAL HB 4.100 . 6.000 4.020 3.929 4.115 . 0 0 "[ . 1]" 1
593 1 10 ARG QG 1 20 GLU QG 3.200 . 4.400 4.092 3.685 4.924 0.524 4 1 "[ +. 1]" 1
594 1 10 ARG QG 1 13 VAL HA 3.600 . 5.200 5.619 5.002 5.888 0.688 6 5 "[ *.+-**1]" 1
595 1 10 ARG QG 1 13 VAL HB 3.000 . 4.100 3.238 2.800 3.893 . 0 0 "[ . 1]" 1
596 1 10 ARG QG 1 13 VAL QG 3.900 . 5.800 3.223 3.136 3.270 . 0 0 "[ . 1]" 1
597 1 10 ARG QG 1 13 VAL QG 3.700 . 5.400 2.314 1.672 2.858 0.328 6 0 "[ . 1]" 1
598 1 10 ARG QG 1 20 GLU QG 3.600 . 5.300 3.533 2.847 4.918 . 0 0 "[ . 1]" 1
599 1 10 ARG QG 1 20 GLU HA 3.600 . 5.200 4.244 3.367 4.616 . 0 0 "[ . 1]" 1
600 1 10 ARG QG 1 20 GLU HA 3.900 . 5.800 4.316 3.376 4.749 . 0 0 "[ . 1]" 1
601 1 10 ARG QG 1 20 GLU QG 3.600 . 5.200 4.566 4.310 4.891 . 0 0 "[ . 1]" 1
602 1 10 ARG HG2 1 10 ARG HG3 1.500 . 2.200 1.625 1.619 1.631 . 0 0 "[ . 1]" 1
603 1 11 GLU H 1 11 GLU HA 2.800 . 3.800 2.825 2.813 2.849 . 0 0 "[ . 1]" 1
604 1 11 GLU H 1 11 GLU QB 2.300 . 2.700 2.099 2.069 2.134 . 0 0 "[ . 1]" 1
605 1 11 GLU H 1 11 GLU HG2 3.800 . 5.600 4.465 4.132 4.619 . 0 0 "[ . 1]" 1
606 1 11 GLU H 1 12 PHE H 2.600 . 3.500 2.620 2.548 2.679 . 0 0 "[ . 1]" 1
607 1 11 GLU H 1 12 PHE HA 3.300 . 4.700 3.957 3.617 4.148 . 0 0 "[ . 1]" 1
608 1 11 GLU H 1 12 PHE HA 3.200 . 4.500 3.593 3.325 3.725 . 0 0 "[ . 1]" 1
609 1 11 GLU H 1 12 PHE QB 3.800 . 5.600 4.251 4.145 4.318 . 0 0 "[ . 1]" 1
610 1 11 GLU H 1 13 VAL H 3.000 . 4.100 4.213 4.137 4.280 0.180 5 0 "[ . 1]" 1
611 1 11 GLU H 1 27 LEU HG 3.600 . 5.300 4.517 4.425 4.637 . 0 0 "[ . 1]" 1
612 1 11 GLU H 1 27 LEU HG 3.300 . 4.700 4.929 4.518 5.534 0.834 9 1 "[ . +1]" 1
613 1 11 GLU H 1 34 LEU QD 5.000 . 6.000 4.687 4.502 4.844 . 0 0 "[ . 1]" 1
614 1 11 GLU HA 1 11 GLU QB 2.200 . 2.800 2.469 2.455 2.480 . 0 0 "[ . 1]" 1
615 1 11 GLU HA 1 11 GLU QB 3.100 . 4.300 2.343 2.330 2.349 . 0 0 "[ . 1]" 1
616 1 11 GLU HA 1 11 GLU QB 3.200 . 3.500 2.135 2.068 2.224 . 0 0 "[ . 1]" 1
617 1 11 GLU HA 1 11 GLU HG2 2.600 . 3.400 2.532 2.109 2.794 . 0 0 "[ . 1]" 1
618 1 11 GLU HA 1 12 PHE H 2.900 . 3.900 3.513 3.498 3.525 . 0 0 "[ . 1]" 1
619 1 11 GLU HA 1 12 PHE HA 3.400 . 4.800 3.784 3.735 3.827 . 0 0 "[ . 1]" 1
620 1 11 GLU HA 1 12 PHE HA 3.100 . 4.300 3.691 3.527 3.800 . 0 0 "[ . 1]" 1
621 1 11 GLU HA 1 12 PHE HA 3.400 . 4.800 3.907 3.878 3.924 . 0 0 "[ . 1]" 1
622 1 11 GLU HA 1 12 PHE HA 3.400 . 4.900 3.949 3.880 4.079 . 0 0 "[ . 1]" 1
623 1 11 GLU HA 1 12 PHE HA 3.400 . 4.900 4.026 3.740 4.244 . 0 0 "[ . 1]" 1
624 1 11 GLU HA 1 12 PHE HA 3.500 . 5.000 3.918 3.641 4.233 . 0 0 "[ . 1]" 1
625 1 11 GLU HA 1 12 PHE HA 3.300 . 4.700 4.072 3.786 4.295 . 0 0 "[ . 1]" 1
626 1 11 GLU HA 1 12 PHE HA 3.300 . 4.700 4.131 3.812 4.300 . 0 0 "[ . 1]" 1
627 1 11 GLU HA 1 12 PHE QB 3.900 . 5.800 5.089 5.068 5.117 . 0 0 "[ . 1]" 1
628 1 11 GLU HA 1 12 PHE QB 3.600 . 5.200 3.885 3.723 4.063 . 0 0 "[ . 1]" 1
629 1 11 GLU HA 1 13 VAL H 3.300 . 4.700 3.373 3.311 3.397 . 0 0 "[ . 1]" 1
630 1 11 GLU HA 1 13 VAL QG 2.800 . 3.800 3.826 3.515 3.991 0.191 10 0 "[ . 1]" 1
631 1 11 GLU HA 1 13 VAL QG 3.400 . 4.900 2.774 2.207 3.397 . 0 0 "[ . 1]" 1
632 1 11 GLU HA 1 34 LEU QD 2.500 . 3.300 2.730 2.196 3.276 . 0 0 "[ . 1]" 1
633 1 11 GLU HA 1 14 ALA H 6.000 . 6.000 3.549 3.404 3.642 . 0 0 "[ . 1]" 1
634 1 11 GLU HA 1 14 ALA MB 2.800 . 3.800 2.347 2.208 2.507 . 0 0 "[ . 1]" 1
635 1 11 GLU HA 1 15 VAL H 3.000 . 6.000 4.689 4.543 4.787 . 0 0 "[ . 1]" 1
636 1 11 GLU HA 1 15 VAL QG 2.900 . 3.900 3.720 3.313 4.076 0.176 8 0 "[ . 1]" 1
637 1 11 GLU HA 1 34 LEU QD 3.400 . 4.900 2.670 2.003 3.124 . 0 0 "[ . 1]" 1
638 1 11 GLU QB 1 11 GLU QG 2.000 . 2.500 2.046 2.008 2.075 . 0 0 "[ . 1]" 1
639 1 11 GLU QB 1 11 GLU HG3 3.100 . 4.300 1.976 1.873 2.093 0.027 4 0 "[ . 1]" 1
640 1 11 GLU QB 1 11 GLU HG3 3.100 . 4.300 2.244 2.044 2.421 . 0 0 "[ . 1]" 1
641 1 11 GLU QB 1 12 PHE H . . 3.600 2.391 2.313 2.487 . 0 0 "[ . 1]" 1
642 1 11 GLU QB 1 12 PHE H 3.100 . 4.300 2.382 2.306 2.474 . 0 0 "[ . 1]" 1
643 1 11 GLU QB 1 12 PHE H 1.900 . 2.300 2.170 2.123 2.205 . 0 0 "[ . 1]" 1
644 1 11 GLU QB 1 12 PHE HA 3.700 . 4.700 3.888 3.865 3.923 . 0 0 "[ . 1]" 1
645 1 11 GLU QB 1 12 PHE HA 3.100 . 4.300 3.962 3.939 4.001 . 0 0 "[ . 1]" 1
646 1 11 GLU QB 1 12 PHE HA 3.100 . 4.300 2.586 2.324 2.854 . 0 0 "[ . 1]" 1
647 1 11 GLU QB 1 12 PHE QB 3.700 . 5.400 3.571 3.503 3.639 . 0 0 "[ . 1]" 1
648 1 11 GLU QB 1 12 PHE QB 3.300 . 4.700 3.407 3.355 3.455 . 0 0 "[ . 1]" 1
649 1 11 GLU QB 1 12 PHE QB 3.400 . 4.900 3.295 3.061 3.519 . 0 0 "[ . 1]" 1
650 1 11 GLU QB 1 13 VAL H 4.500 . 6.000 4.747 4.710 4.787 . 0 0 "[ . 1]" 1
651 1 11 GLU QB 1 34 LEU QD 2.000 . 2.500 1.863 1.850 1.870 . 0 0 "[ . 1]" 1
652 1 11 GLU QB 1 34 LEU HB2 3.200 . 4.500 3.336 3.018 3.893 . 0 0 "[ . 1]" 1
653 1 11 GLU QB 1 34 LEU QD 3.600 . 5.200 2.675 2.563 2.806 . 0 0 "[ . 1]" 1
654 1 11 GLU QB 1 14 ALA MB 3.300 . 4.700 3.805 3.546 3.961 . 0 0 "[ . 1]" 1
655 1 11 GLU HB2 1 11 GLU HB3 1.400 . 2.200 1.552 1.495 1.568 . 0 0 "[ . 1]" 1
656 1 11 GLU QB 1 34 LEU QD 3.000 . 4.100 2.641 2.544 2.768 . 0 0 "[ . 1]" 1
657 1 11 GLU QB 1 34 LEU QD 2.800 . 3.800 2.706 2.584 2.864 . 0 0 "[ . 1]" 1
658 1 11 GLU QG 1 34 LEU QD 2.700 . 3.600 2.770 2.430 3.224 . 0 0 "[ . 1]" 1
659 1 11 GLU QG 1 12 PHE H 3.400 . 4.900 3.991 3.787 4.377 . 0 0 "[ . 1]" 1
660 1 11 GLU QG 1 12 PHE HA 3.200 . 4.500 4.486 4.183 5.172 0.672 2 2 "[ + -. 1]" 1
661 1 11 GLU QG 1 12 PHE QB 4.000 . 6.000 4.884 4.621 5.333 . 0 0 "[ . 1]" 1
662 1 11 GLU HG2 1 34 LEU QB 3.200 . 4.500 3.785 3.338 4.651 0.151 2 0 "[ . 1]" 1
663 1 11 GLU QG 1 34 LEU QB 3.600 . 5.200 5.188 4.844 5.528 0.328 4 0 "[ . 1]" 1
664 1 11 GLU QG 1 34 LEU QD 2.400 . 3.100 2.877 2.449 3.415 0.315 4 0 "[ . 1]" 1
665 1 11 GLU QG 1 34 LEU QD 2.400 . 3.100 2.820 2.443 3.239 0.139 4 0 "[ . 1]" 1
666 1 11 GLU HG2 1 12 PHE H 4.300 . 6.000 4.587 4.263 4.983 . 0 0 "[ . 1]" 1
667 1 11 GLU HG2 1 12 PHE H 3.500 . 5.100 3.977 3.679 4.476 . 0 0 "[ . 1]" 1
668 1 11 GLU HG2 1 34 LEU QD 3.000 . 4.200 3.073 2.508 3.578 . 0 0 "[ . 1]" 1
669 1 11 GLU HG2 1 34 LEU HG 3.500 . 5.100 3.260 2.225 3.975 . 0 0 "[ . 1]" 1
670 1 11 GLU HG2 1 34 LEU QB 3.400 . 4.900 4.199 3.708 5.139 0.239 4 0 "[ . 1]" 1
671 1 11 GLU HG3 1 34 LEU QD 3.300 . 4.700 2.579 1.508 3.826 0.392 6 0 "[ . 1]" 1
672 1 12 PHE H 1 12 PHE HA 2.700 . 3.600 2.863 2.850 2.873 . 0 0 "[ . 1]" 1
673 1 12 PHE H 1 12 PHE QB 2.600 . 2.800 2.135 2.096 2.173 . 0 0 "[ . 1]" 1
674 1 12 PHE H 1 12 PHE QD 3.700 . 5.400 4.070 4.042 4.124 . 0 0 "[ . 1]" 1
675 1 12 PHE H 1 13 VAL H 2.600 . 3.500 2.676 2.588 2.746 . 0 0 "[ . 1]" 1
676 1 12 PHE H 1 13 VAL HA 3.900 . 5.800 5.300 5.236 5.354 . 0 0 "[ . 1]" 1
677 1 12 PHE H 1 13 VAL HB 2.000 . 2.500 1.747 1.578 1.814 . 0 0 "[ . 1]" 1
678 1 12 PHE H 1 13 VAL QG 3.400 . 4.900 3.748 3.700 3.849 . 0 0 "[ . 1]" 1
679 1 12 PHE H 1 15 VAL H 4.200 . 6.000 4.514 4.420 4.603 . 0 0 "[ . 1]" 1
680 1 12 PHE H 1 15 VAL HB 3.600 . 5.200 4.176 3.973 4.354 . 0 0 "[ . 1]" 1
681 1 12 PHE H 1 27 LEU QD 3.700 . 5.400 3.850 3.443 4.171 . 0 0 "[ . 1]" 1
682 1 12 PHE H 1 34 LEU QD 2.700 . 3.500 2.085 1.835 2.342 . 0 0 "[ . 1]" 1
683 1 12 PHE H 1 34 LEU QD 3.100 . 4.300 3.273 2.920 3.602 . 0 0 "[ . 1]" 1
684 1 12 PHE HA 1 14 ALA HA 3.100 . 4.300 3.843 3.771 3.893 . 0 0 "[ . 1]" 1
685 1 12 PHE HA 1 12 PHE QB 2.100 . 2.700 2.387 2.362 2.408 . 0 0 "[ . 1]" 1
686 1 12 PHE HA 1 12 PHE QD 2.800 . 3.800 1.999 1.662 3.057 0.138 5 0 "[ . 1]" 1
687 1 12 PHE HA 1 13 VAL H 3.500 . 5.000 3.570 3.551 3.585 . 0 0 "[ . 1]" 1
688 1 12 PHE HA 1 13 VAL H 2.300 . 3.000 2.741 2.725 2.760 . 0 0 "[ . 1]" 1
689 1 12 PHE HA 1 34 LEU QD 2.300 . 3.000 2.051 1.730 2.378 . 0 0 "[ . 1]" 1
690 1 12 PHE HA 1 14 ALA H 3.200 . 4.400 3.693 3.632 3.766 . 0 0 "[ . 1]" 1
691 1 12 PHE HA 1 14 ALA H 3.200 . 4.400 3.316 3.153 3.450 . 0 0 "[ . 1]" 1
692 1 12 PHE HA 1 14 ALA HA 3.300 . 4.600 4.216 4.090 4.517 . 0 0 "[ . 1]" 1
693 1 12 PHE HA 1 15 VAL H 2.700 . 3.600 2.899 2.821 2.971 . 0 0 "[ . 1]" 1
694 1 12 PHE HA 1 15 VAL HB 2.700 . 3.600 2.426 2.274 2.559 . 0 0 "[ . 1]" 1
695 1 12 PHE HA 1 15 VAL HB 2.300 . 3.000 2.196 2.124 2.275 . 0 0 "[ . 1]" 1
696 1 12 PHE HA 1 15 VAL HA 3.800 . 5.600 3.662 3.585 3.757 . 0 0 "[ . 1]" 1
697 1 12 PHE HA 1 15 VAL HB 3.000 . 4.100 3.048 2.498 3.505 . 0 0 "[ . 1]" 1
698 1 12 PHE HA 1 15 VAL HB 2.000 . 2.500 2.377 2.226 2.439 . 0 0 "[ . 1]" 1
699 1 12 PHE HA 1 15 VAL HB 2.100 . 2.700 2.428 2.233 2.528 . 0 0 "[ . 1]" 1
700 1 12 PHE HA 1 15 VAL QG 3.700 . 5.400 1.708 1.565 2.194 0.435 5 0 "[ . 1]" 1
701 1 12 PHE HA 1 16 THR H 4.200 . 6.000 3.376 3.176 3.540 . 0 0 "[ . 1]" 1
702 1 12 PHE HA 1 16 THR H 3.300 . 4.600 3.227 2.973 3.413 . 0 0 "[ . 1]" 1
703 1 12 PHE HA 1 34 LEU HA 3.000 . 4.100 3.589 3.482 3.763 . 0 0 "[ . 1]" 1
704 1 12 PHE HA 1 34 LEU QB 3.400 . 4.900 4.808 4.410 5.105 0.205 3 0 "[ . 1]" 1
705 1 12 PHE QB 1 12 PHE QD 2.400 . 3.100 2.241 2.159 2.305 . 0 0 "[ . 1]" 1
706 1 12 PHE QB 1 12 PHE QD 2.100 . 2.700 2.202 2.142 2.280 . 0 0 "[ . 1]" 1
707 1 12 PHE QB 1 12 PHE HZ 3.300 . 4.600 4.346 4.287 4.403 . 0 0 "[ . 1]" 1
708 1 12 PHE QB 1 13 VAL H . . 3.400 2.122 2.087 2.179 . 0 0 "[ . 1]" 1
709 1 12 PHE QB 1 13 VAL H 2.700 . 3.600 2.104 2.071 2.154 . 0 0 "[ . 1]" 1
710 1 12 PHE QB 1 13 VAL HA 3.200 . 4.500 4.031 4.004 4.065 . 0 0 "[ . 1]" 1
711 1 12 PHE QB 1 13 VAL HA 3.400 . 4.900 3.522 3.290 3.806 . 0 0 "[ . 1]" 1
712 1 12 PHE QB 1 13 VAL HA 3.200 . 4.500 4.023 3.990 4.064 . 0 0 "[ . 1]" 1
713 1 12 PHE QB 1 13 VAL QG 3.200 . 4.500 2.612 2.338 2.808 . 0 0 "[ . 1]" 1
714 1 12 PHE QB 1 14 ALA H 4.900 . 6.000 4.080 4.067 4.110 . 0 0 "[ . 1]" 1
715 1 12 PHE QB 1 15 VAL H 4.300 . 6.000 4.465 4.421 4.504 . 0 0 "[ . 1]" 1
716 1 12 PHE QB 1 15 VAL HB . . 3.400 3.924 3.284 4.752 1.352 9 4 "[ *. *-+1]" 1
717 1 12 PHE QB 1 37 ALA MB 3.100 . 4.300 2.481 1.876 2.963 0.024 2 0 "[ . 1]" 1
718 1 12 PHE QB 1 37 ALA MB 3.000 . 4.100 3.406 3.180 3.520 . 0 0 "[ . 1]" 1
719 1 12 PHE QB 1 27 LEU HG 3.500 . 5.000 2.265 1.955 2.456 0.045 10 0 "[ . 1]" 1
720 1 12 PHE QB 1 27 LEU HG 3.600 . 5.200 2.562 2.165 3.385 . 0 0 "[ . 1]" 1
721 1 12 PHE QB 1 34 LEU HG 2.000 . 2.500 2.077 2.045 2.107 . 0 0 "[ . 1]" 1
722 1 12 PHE QB 1 24 ARG HA 3.700 . 5.400 5.352 5.044 5.750 0.350 6 0 "[ . 1]" 1
723 1 12 PHE QB 1 37 ALA MB 3.200 . 4.400 4.157 3.926 4.354 . 0 0 "[ . 1]" 1
724 1 12 PHE QB 1 34 LEU QD 2.400 . 3.100 2.024 1.844 2.082 . 0 0 "[ . 1]" 1
725 1 12 PHE QB 1 23 ALA HA 3.600 . 5.200 4.230 4.052 4.410 . 0 0 "[ . 1]" 1
726 1 12 PHE QB 1 23 ALA MB 2.600 . 3.400 2.416 1.994 2.813 . 0 0 "[ . 1]" 1
727 1 12 PHE QB 1 24 ARG HA 3.700 . 5.400 5.453 5.049 5.768 0.368 6 0 "[ . 1]" 1
728 1 12 PHE QB 1 27 LEU QD 2.700 . 3.600 2.250 1.658 2.552 0.242 10 0 "[ . 1]" 1
729 1 12 PHE QB 1 27 LEU HG 2.900 . 4.000 2.792 2.188 3.908 . 0 0 "[ . 1]" 1
730 1 12 PHE QB 1 34 LEU HG 2.100 . 2.400 2.166 2.153 2.178 . 0 0 "[ . 1]" 1
731 1 12 PHE QB 1 34 LEU QB 3.600 . 5.200 5.174 4.667 5.437 0.237 2 0 "[ . 1]" 1
732 1 12 PHE QB 1 34 LEU QB 4.000 . 6.000 4.692 4.302 4.892 . 0 0 "[ . 1]" 1
733 1 12 PHE QB 1 34 LEU QD 3.600 . 5.200 2.716 2.031 3.182 . 0 0 "[ . 1]" 1
734 1 12 PHE QB 1 34 LEU HG 3.200 . 4.500 4.131 3.368 5.183 0.683 7 2 "[ . + -1]" 1
735 1 12 PHE QD 1 13 VAL H 3.300 . 4.700 3.736 2.944 4.029 . 0 0 "[ . 1]" 1
736 1 12 PHE QD 1 13 VAL H 2.800 . 3.800 3.582 2.878 3.884 0.084 9 0 "[ . 1]" 1
737 1 12 PHE QD 1 13 VAL HA 2.400 . 3.100 4.279 2.755 4.751 1.651 9 8 "[-****** +1]" 1
738 1 12 PHE QD 1 13 VAL HB 3.600 . 5.200 5.577 4.745 5.890 0.690 9 7 "[ ***-** +1]" 1
739 1 12 PHE QD 1 15 VAL H 3.300 . 4.700 3.698 3.418 3.911 . 0 0 "[ . 1]" 1
740 1 12 PHE QD 1 15 VAL HB 3.100 . 4.300 2.810 1.902 4.006 . 0 0 "[ . 1]" 1
741 1 12 PHE QD 1 15 VAL QG 3.700 . 5.400 1.824 1.546 2.559 0.454 9 0 "[ . 1]" 1
742 1 12 PHE QD 1 16 THR H 6.000 . 6.000 3.249 2.800 3.572 . 0 0 "[ . 1]" 1
743 1 12 PHE QD 1 16 THR H 3.200 . 4.500 3.027 2.651 3.333 . 0 0 "[ . 1]" 1
744 1 12 PHE QD 1 18 ALA H 4.400 . 6.000 5.001 3.720 5.448 . 0 0 "[ . 1]" 1
745 1 12 PHE QD 1 18 ALA HA 4.000 . 6.000 6.532 5.840 6.943 0.943 5 7 "[****+*- 1]" 1
746 1 12 PHE QD 1 18 ALA MB 3.100 . 4.300 3.094 2.660 3.327 . 0 0 "[ . 1]" 1
747 1 12 PHE QD 1 23 ALA HA 3.600 . 5.300 3.141 2.894 3.391 . 0 0 "[ . 1]" 1
748 1 12 PHE QD 1 23 ALA MB 2.400 . 3.100 2.126 1.698 2.614 0.002 9 0 "[ . 1]" 1
749 1 12 PHE QD 1 34 LEU HA 2.800 . 3.800 3.223 1.870 4.250 0.450 3 0 "[ . 1]" 1
750 1 12 PHE QD 1 38 LEU H 6.000 . 6.000 4.648 4.009 5.135 . 0 0 "[ . 1]" 1
751 1 12 PHE QD 1 38 LEU MD2 3.400 . 4.800 3.626 3.065 4.572 . 0 0 "[ . 1]" 1
752 1 12 PHE QD 1 38 LEU HG 2.600 . 3.400 3.149 2.660 3.861 0.461 10 0 "[ . 1]" 1
753 1 12 PHE QE 1 23 ALA HA 2.700 . 3.600 2.828 2.466 3.300 . 0 0 "[ . 1]" 1
754 1 12 PHE QE 1 13 VAL HA 3.100 . 4.300 5.436 4.417 5.863 1.563 9 8 "[-****** +1]" 1
755 1 12 PHE QE 1 16 THR HA 3.600 . 5.300 3.978 3.664 4.252 . 0 0 "[ . 1]" 1
756 1 12 PHE QE 1 16 THR HB 2.500 . 3.300 2.399 2.127 2.648 . 0 0 "[ . 1]" 1
757 1 12 PHE QE 1 16 THR MG 2.800 . 3.800 2.212 1.584 2.943 0.216 10 0 "[ . 1]" 1
758 1 12 PHE QE 1 18 ALA H 3.100 . 4.300 5.282 4.089 5.725 1.425 5 8 "[**-*+** *1]" 1
759 1 12 PHE QE 1 18 ALA MB 2.800 . 3.800 3.861 3.021 4.481 0.681 5 1 "[ + 1]" 1
760 1 12 PHE QE 1 18 ALA MB 2.300 . 3.000 2.574 2.012 2.871 . 0 0 "[ . 1]" 1
761 1 12 PHE QE 1 19 GLU HA 3.300 . 4.600 4.416 3.576 5.040 0.440 7 0 "[ . 1]" 1
762 1 12 PHE QE 1 23 ALA MB 2.800 . 3.800 3.239 2.933 3.523 . 0 0 "[ . 1]" 1
763 1 12 PHE QE 1 24 ARG HB3 3.400 . 4.800 4.407 2.906 5.225 0.425 8 0 "[ . 1]" 1
764 1 12 PHE QE 1 38 LEU H 6.000 . 6.000 3.037 1.881 3.931 . 0 0 "[ . 1]" 1
765 1 12 PHE QE 1 38 LEU HA 2.000 . 2.500 2.472 1.924 3.020 0.520 8 1 "[ . + 1]" 1
766 1 12 PHE QE 1 38 LEU QB 3.600 . 5.200 3.467 2.893 3.877 . 0 0 "[ . 1]" 1
767 1 12 PHE QE 1 38 LEU MD1 3.700 . 5.400 3.820 3.245 4.695 . 0 0 "[ . 1]" 1
768 1 12 PHE QE 1 41 PHE HA 3.400 . 4.800 4.023 3.867 4.106 . 0 0 "[ . 1]" 1
769 1 12 PHE QE 1 41 PHE QB 3.800 . 5.600 3.768 2.984 4.159 . 0 0 "[ . 1]" 1
770 1 12 PHE QE 1 41 PHE QB 2.900 . 3.900 3.412 2.900 3.597 . 0 0 "[ . 1]" 1
771 1 12 PHE QE 1 41 PHE QD 3.300 . 4.700 4.007 3.248 4.445 . 0 0 "[ . 1]" 1
772 1 12 PHE HZ 1 15 VAL HB 3.700 . 5.400 4.090 3.698 4.730 . 0 0 "[ . 1]" 1
773 1 12 PHE HZ 1 16 THR HB 3.100 . 4.300 2.713 2.577 2.793 . 0 0 "[ . 1]" 1
774 1 12 PHE HZ 1 16 THR HB 2.300 . 2.900 2.313 2.124 2.408 . 0 0 "[ . 1]" 1
775 1 12 PHE HZ 1 16 THR HB 2.500 . 3.300 2.480 2.217 2.627 . 0 0 "[ . 1]" 1
776 1 12 PHE HZ 1 16 THR HB 2.900 . 3.900 2.724 2.585 2.807 . 0 0 "[ . 1]" 1
777 1 12 PHE HZ 1 16 THR MG 3.000 . 4.100 3.565 3.507 3.634 . 0 0 "[ . 1]" 1
778 1 12 PHE HZ 1 18 ALA HA 3.800 . 5.600 7.875 7.192 8.416 2.816 10 10 [**-******+] 1
779 1 12 PHE HZ 1 18 ALA HA 3.600 . 5.200 4.835 3.636 5.795 0.595 5 1 "[ + 1]" 1
780 1 12 PHE HZ 1 18 ALA MB 3.500 . 5.000 2.466 2.146 2.973 . 0 0 "[ . 1]" 1
781 1 12 PHE HZ 1 18 ALA MB 2.900 . 4.000 2.140 1.536 2.715 0.264 10 0 "[ . 1]" 1
782 1 12 PHE HZ 1 23 ALA HA 3.300 . 4.600 3.786 3.412 3.889 . 0 0 "[ . 1]" 1
783 1 12 PHE HZ 1 26 PHE QE 2.800 . 3.800 1.805 1.506 2.528 0.294 9 0 "[ . 1]" 1
784 1 12 PHE HZ 1 26 PHE HZ 1.900 . 2.400 2.290 1.945 2.467 0.067 4 0 "[ . 1]" 1
785 1 12 PHE HZ 1 27 LEU H 3.600 . 5.200 4.558 4.410 4.640 . 0 0 "[ . 1]" 1
786 1 12 PHE HZ 1 38 LEU QB 3.300 . 4.600 3.545 3.345 3.693 . 0 0 "[ . 1]" 1
787 1 12 PHE HZ 1 41 PHE QB 3.600 . 5.200 3.140 2.700 3.348 . 0 0 "[ . 1]" 1
788 1 12 PHE HZ 1 41 PHE HA 2.900 . 3.900 2.830 2.751 2.877 . 0 0 "[ . 1]" 1
789 1 12 PHE HZ 1 38 LEU MD2 3.300 . 4.600 3.799 2.815 4.453 . 0 0 "[ . 1]" 1
790 1 12 PHE HZ 1 38 LEU HG 3.800 . 5.600 4.229 3.362 4.918 . 0 0 "[ . 1]" 1
791 1 12 PHE HZ 1 41 PHE H 3.800 . 5.600 3.774 3.416 4.232 . 0 0 "[ . 1]" 1
792 1 12 PHE HZ 1 41 PHE QD 2.700 . 3.600 3.158 2.693 3.484 . 0 0 "[ . 1]" 1
793 1 13 VAL H 1 13 VAL HA 2.800 . 3.800 2.812 2.792 2.846 . 0 0 "[ . 1]" 1
794 1 13 VAL H 1 13 VAL HA 2.100 . 2.600 2.445 2.082 2.588 . 0 0 "[ . 1]" 1
795 1 13 VAL H 1 13 VAL HB 2.300 . 2.900 2.363 2.252 2.446 . 0 0 "[ . 1]" 1
796 1 13 VAL H 1 13 VAL HB 1.900 . 2.400 2.072 1.862 2.250 . 0 0 "[ . 1]" 1
797 1 13 VAL H 1 13 VAL QG 2.600 . 4.900 2.183 2.072 2.356 . 0 0 "[ . 1]" 1
798 1 13 VAL H 1 13 VAL QG 3.000 . 4.100 2.152 2.037 2.326 . 0 0 "[ . 1]" 1
799 1 13 VAL H 1 13 VAL QG 2.800 . 3.800 2.154 2.041 2.311 . 0 0 "[ . 1]" 1
800 1 13 VAL H 1 14 ALA H 2.600 . 3.400 2.654 2.560 2.710 . 0 0 "[ . 1]" 1
801 1 13 VAL H 1 14 ALA HA 4.800 . 6.000 4.916 4.724 5.038 . 0 0 "[ . 1]" 1
802 1 13 VAL H 1 14 ALA MB 3.800 . 5.600 3.752 3.697 3.802 . 0 0 "[ . 1]" 1
803 1 13 VAL H 1 15 VAL H 4.100 . 6.000 4.061 3.975 4.181 . 0 0 "[ . 1]" 1
804 1 13 VAL H 1 18 ALA H 4.600 . 6.000 4.921 4.812 5.007 . 0 0 "[ . 1]" 1
805 1 13 VAL H 1 24 ARG H 3.300 . 6.000 5.373 4.952 5.794 . 0 0 "[ . 1]" 1
806 1 13 VAL HA 1 13 VAL HB 2.900 . 3.900 3.028 3.016 3.035 . 0 0 "[ . 1]" 1
807 1 13 VAL HA 1 13 VAL HB 2.500 . 3.300 2.728 2.064 2.861 . 0 0 "[ . 1]" 1
808 1 13 VAL HA 1 13 VAL QG 3.300 . 4.100 1.988 1.947 2.021 0.053 5 0 "[ . 1]" 1
809 1 13 VAL HA 1 14 ALA H 2.600 . 3.500 3.453 3.421 3.475 . 0 0 "[ . 1]" 1
810 1 13 VAL HA 1 14 ALA HA 3.000 . 4.100 3.341 2.811 3.731 . 0 0 "[ . 1]" 1
811 1 13 VAL HA 1 14 ALA HA 3.300 . 4.700 3.222 2.772 3.512 . 0 0 "[ . 1]" 1
812 1 13 VAL HA 1 16 THR H 2.900 . 3.900 3.542 3.474 3.599 . 0 0 "[ . 1]" 1
813 1 13 VAL HA 1 16 THR H 3.200 . 4.500 2.260 1.724 3.336 0.176 4 0 "[ . 1]" 1
814 1 13 VAL HA 1 16 THR HA 3.600 . 5.200 4.732 4.101 5.202 0.002 8 0 "[ . 1]" 1
815 1 13 VAL HA 1 16 THR HB 3.200 . 4.500 2.221 2.192 2.271 . 0 0 "[ . 1]" 1
816 1 13 VAL HA 1 17 GLY H 3.000 . 4.100 2.736 2.148 3.020 . 0 0 "[ . 1]" 1
817 1 13 VAL HA 1 17 GLY HA2 3.200 . 4.500 3.430 2.830 3.901 . 0 0 "[ . 1]" 1
818 1 13 VAL HA 1 17 GLY HA2 3.300 . 4.700 3.283 2.806 3.704 . 0 0 "[ . 1]" 1
819 1 13 VAL HA 1 17 GLY HA2 3.200 . 4.500 3.292 2.786 3.678 . 0 0 "[ . 1]" 1
820 1 13 VAL HA 1 17 GLY HA2 3.300 . 4.700 3.366 2.823 3.863 . 0 0 "[ . 1]" 1
821 1 13 VAL HA 1 17 GLY HA3 3.800 . 5.600 4.631 4.153 5.017 . 0 0 "[ . 1]" 1
822 1 13 VAL HA 1 18 ALA H 2.300 . 3.000 2.239 2.083 2.421 . 0 0 "[ . 1]" 1
823 1 13 VAL HA 1 18 ALA H 3.300 . 4.700 2.229 2.077 2.401 . 0 0 "[ . 1]" 1
824 1 13 VAL HA 1 18 ALA HA 3.700 . 5.400 3.878 2.294 4.410 . 0 0 "[ . 1]" 1
825 1 13 VAL HA 1 18 ALA HA 3.300 . 4.700 4.390 3.983 4.705 0.005 8 0 "[ . 1]" 1
826 1 13 VAL HA 1 18 ALA MB 2.900 . 3.900 2.442 1.869 3.053 0.031 2 0 "[ . 1]" 1
827 1 13 VAL HB 1 13 VAL QG 1.700 . 2.200 1.899 1.888 1.912 . 0 0 "[ . 1]" 1
828 1 13 VAL HB 1 14 ALA H 2.700 . 3.600 2.919 2.857 2.996 . 0 0 "[ . 1]" 1
829 1 13 VAL HB 1 17 GLY HA3 3.600 . 5.200 4.671 3.410 5.965 0.765 10 1 "[ . +]" 1
830 1 13 VAL QG 1 14 ALA H 3.600 . 3.800 3.357 3.281 3.402 . 0 0 "[ . 1]" 1
831 1 13 VAL QG 1 14 ALA H 2.800 . 3.800 3.014 2.907 3.110 . 0 0 "[ . 1]" 1
832 1 13 VAL QG 1 14 ALA H 3.000 . 4.100 2.549 1.609 3.187 0.291 9 0 "[ . 1]" 1
833 1 13 VAL QG 1 14 ALA HA 2.900 . 4.000 2.683 2.193 3.076 . 0 0 "[ . 1]" 1
834 1 13 VAL QG 1 14 ALA HA 3.200 . 4.500 2.315 1.871 2.789 0.029 7 0 "[ . 1]" 1
835 1 13 VAL QG 1 14 ALA HA 2.700 . 3.600 2.610 2.174 2.908 . 0 0 "[ . 1]" 1
836 1 13 VAL QG 1 14 ALA HA 3.600 . 5.200 3.470 3.273 3.693 . 0 0 "[ . 1]" 1
837 1 13 VAL QG 1 17 GLY H 4.700 . 6.000 3.578 3.236 3.839 . 0 0 "[ . 1]" 1
838 1 13 VAL QG 1 18 ALA H 3.500 . 6.000 2.982 2.862 3.058 . 0 0 "[ . 1]" 1
839 1 13 VAL QG 1 18 ALA H 3.300 . 4.600 2.873 2.803 2.970 . 0 0 "[ . 1]" 1
840 1 13 VAL QG 1 19 GLU HA 3.200 . 4.500 3.073 2.698 3.491 . 0 0 "[ . 1]" 1
841 1 13 VAL QG 1 18 ALA MB 3.400 . 4.800 2.427 2.052 2.764 . 0 0 "[ . 1]" 1
842 1 13 VAL QG 1 20 GLU QG 3.200 . 4.400 3.786 3.485 3.987 . 0 0 "[ . 1]" 1
843 1 13 VAL QG 1 19 GLU HG3 4.000 . 6.000 3.009 1.513 4.323 0.487 6 0 "[ . 1]" 1
844 1 13 VAL QG 1 20 GLU H 3.700 . 5.400 3.203 2.650 3.562 . 0 0 "[ . 1]" 1
845 1 13 VAL QG 1 20 GLU HA 2.500 . 3.300 2.474 2.152 2.875 . 0 0 "[ . 1]" 1
846 1 14 ALA H 1 14 ALA HA 2.700 . 3.600 2.898 2.871 2.917 . 0 0 "[ . 1]" 1
847 1 14 ALA H 1 14 ALA HA 2.000 . 2.500 2.088 1.838 2.258 . 0 0 "[ . 1]" 1
848 1 14 ALA H 1 14 ALA MB 2.300 . 3.000 2.116 2.036 2.164 . 0 0 "[ . 1]" 1
849 1 14 ALA H 1 15 VAL H 2.600 . 3.400 2.374 2.271 2.512 . 0 0 "[ . 1]" 1
850 1 14 ALA H 1 15 VAL HA 3.800 . 5.600 5.090 5.018 5.196 . 0 0 "[ . 1]" 1
851 1 14 ALA H 1 15 VAL HB 3.100 . 4.300 3.798 3.672 3.952 . 0 0 "[ . 1]" 1
852 1 14 ALA H 1 16 THR H 4.800 . 6.000 3.975 3.910 4.129 . 0 0 "[ . 1]" 1
853 1 14 ALA HA 1 14 ALA MB 2.200 . 2.800 2.148 2.138 2.159 . 0 0 "[ . 1]" 1
854 1 14 ALA HA 1 15 VAL H 3.400 . 4.900 3.520 3.498 3.552 . 0 0 "[ . 1]" 1
855 1 14 ALA HA 1 15 VAL H 3.300 . 4.700 2.777 2.737 2.794 . 0 0 "[ . 1]" 1
856 1 14 ALA HA 1 15 VAL H 2.500 . 3.300 3.156 3.140 3.177 . 0 0 "[ . 1]" 1
857 1 14 ALA HA 1 15 VAL HA 3.200 . 4.500 4.176 4.141 4.223 . 0 0 "[ . 1]" 1
858 1 14 ALA HA 1 15 VAL HA 3.200 . 4.500 4.022 3.966 4.077 . 0 0 "[ . 1]" 1
859 1 14 ALA HA 1 15 VAL HB 2.900 . 3.900 3.709 3.533 3.782 . 0 0 "[ . 1]" 1
860 1 14 ALA HA 1 15 VAL HB 3.400 . 4.800 4.447 3.931 4.613 . 0 0 "[ . 1]" 1
861 1 14 ALA HA 1 15 VAL HB 3.200 . 4.500 2.934 2.473 3.272 . 0 0 "[ . 1]" 1
862 1 14 ALA HA 1 16 THR H 3.000 . 4.100 3.064 2.615 3.607 . 0 0 "[ . 1]" 1
863 1 14 ALA HA 1 17 GLY HA3 3.600 . 5.200 5.281 5.097 5.664 0.464 5 0 "[ . 1]" 1
864 1 14 ALA MB 1 15 VAL H 3.100 . 4.300 2.640 2.497 2.704 . 0 0 "[ . 1]" 1
865 1 14 ALA MB 1 15 VAL HA 3.300 . 4.700 3.912 3.832 3.985 . 0 0 "[ . 1]" 1
866 1 14 ALA MB 1 15 VAL HB 3.200 . 4.500 3.380 3.263 3.626 . 0 0 "[ . 1]" 1
867 1 14 ALA MB 1 16 THR H 3.200 . 6.000 4.594 4.558 4.617 . 0 0 "[ . 1]" 1
868 1 15 VAL H 1 15 VAL HA 2.800 . 3.700 2.948 2.916 2.964 . 0 0 "[ . 1]" 1
869 1 15 VAL H 1 15 VAL HB 2.000 . 2.500 2.714 2.481 3.543 1.043 6 1 "[ .+ 1]" 1
870 1 15 VAL H 1 15 VAL HB 2.900 . 4.000 2.238 2.146 2.380 . 0 0 "[ . 1]" 1
871 1 15 VAL H 1 15 VAL QG 3.600 . 3.600 1.850 1.785 1.955 0.215 9 0 "[ . 1]" 1
872 1 15 VAL H 1 16 THR H 2.400 . 3.100 2.300 2.206 2.480 . 0 0 "[ . 1]" 1
873 1 15 VAL H 1 17 GLY H 4.200 . 6.000 3.248 3.136 3.449 . 0 0 "[ . 1]" 1
874 1 15 VAL HA 1 15 VAL HB 2.500 . 3.300 2.569 2.284 3.017 . 0 0 "[ . 1]" 1
875 1 15 VAL HA 1 15 VAL QG 2.700 . 2.800 2.222 2.039 2.457 . 0 0 "[ . 1]" 1
876 1 15 VAL HA 1 16 THR H 2.600 . 3.500 3.524 3.507 3.542 0.042 7 0 "[ . 1]" 1
877 1 15 VAL HA 1 16 THR HA 3.200 . 4.500 4.704 4.665 4.748 0.248 3 0 "[ . 1]" 1
878 1 15 VAL HA 1 16 THR HA 3.100 . 4.300 3.841 3.816 3.889 . 0 0 "[ . 1]" 1
879 1 15 VAL HA 1 16 THR HA 3.200 . 4.500 4.392 4.257 4.495 . 0 0 "[ . 1]" 1
880 1 15 VAL HA 1 38 LEU MD1 4.400 . 6.000 4.737 4.252 5.186 . 0 0 "[ . 1]" 1
881 1 15 VAL HB 1 15 VAL QG 1.800 . 2.200 1.605 1.565 1.629 . 0 0 "[ . 1]" 1
882 1 15 VAL HB 1 15 VAL QG 1.700 . 2.200 1.835 1.736 1.896 . 0 0 "[ . 1]" 1
883 1 15 VAL HB 1 15 VAL QG 1.700 . 2.200 1.726 1.661 1.764 . 0 0 "[ . 1]" 1
884 1 15 VAL HB 1 16 THR H 2.900 . 3.900 3.372 2.063 3.771 . 0 0 "[ . 1]" 1
885 1 15 VAL HB 1 16 THR H 2.400 . 3.100 2.980 2.049 3.235 0.135 6 0 "[ . 1]" 1
886 1 15 VAL HB 1 16 THR MG 3.800 . 5.600 5.057 3.273 5.661 0.061 10 0 "[ . 1]" 1
887 1 15 VAL HB 1 34 LEU QD 3.000 . 4.100 2.177 2.065 2.330 . 0 0 "[ . 1]" 1
888 1 15 VAL HB 1 41 PHE QB 3.800 . 5.600 4.250 4.028 4.534 . 0 0 "[ . 1]" 1
889 1 15 VAL QG 1 16 THR H 3.300 . 4.500 1.969 1.664 2.995 0.236 6 0 "[ . 1]" 1
890 1 15 VAL QG 1 16 THR HA 3.000 . 4.100 2.630 1.977 3.309 . 0 0 "[ . 1]" 1
891 1 15 VAL QG 1 16 THR HA 3.100 . 4.300 2.753 2.322 3.430 . 0 0 "[ . 1]" 1
892 1 15 VAL QG 1 17 GLY H 3.900 . 5.800 3.490 3.306 4.059 . 0 0 "[ . 1]" 1
893 1 15 VAL QG 1 27 LEU MD2 3.200 . 4.500 2.916 2.394 3.481 . 0 0 "[ . 1]" 1
894 1 15 VAL QG 1 34 LEU MD2 2.800 . 3.800 1.821 1.517 2.064 0.283 6 0 "[ . 1]" 1
895 1 15 VAL QG 1 35 GLN QE 3.400 . 6.000 5.874 3.727 6.554 0.554 6 3 "[ * .+ -]" 1
896 1 15 VAL MG1 1 15 VAL MG2 2.300 . 3.000 1.868 1.785 1.941 . 0 0 "[ . 1]" 1
897 1 15 VAL QG 1 38 LEU QB 3.800 . 5.600 3.477 3.294 3.755 . 0 0 "[ . 1]" 1
898 1 15 VAL QG 1 38 LEU MD1 . . 2.800 1.810 1.531 2.144 0.469 5 0 "[ . 1]" 1
899 1 15 VAL QG 1 38 LEU HG 3.100 . 4.300 2.371 1.675 3.004 0.225 6 0 "[ . 1]" 1
900 1 16 THR H 1 16 THR HA 2.900 . 3.900 2.942 2.920 2.959 . 0 0 "[ . 1]" 1
901 1 16 THR H 1 16 THR HA . . 3.100 2.641 2.445 2.792 . 0 0 "[ . 1]" 1
902 1 16 THR H 1 16 THR HA 3.300 . 4.700 2.658 2.455 2.815 . 0 0 "[ . 1]" 1
903 1 16 THR H 1 16 THR HB 2.600 . 3.400 2.118 1.914 2.710 . 0 0 "[ . 1]" 1
904 1 16 THR H 1 16 THR HB 2.800 . 3.800 2.113 1.910 2.692 . 0 0 "[ . 1]" 1
905 1 16 THR H 1 16 THR MG 3.400 . 4.800 2.817 1.742 3.144 0.258 7 0 "[ . 1]" 1
906 1 16 THR H 1 17 GLY H 2.500 . 3.300 2.256 2.223 2.314 . 0 0 "[ . 1]" 1
907 1 16 THR H 1 18 ALA H 4.500 . 6.000 3.769 3.689 3.836 . 0 0 "[ . 1]" 1
908 1 16 THR H 1 18 ALA MB 5.500 . 6.000 4.637 4.498 4.788 . 0 0 "[ . 1]" 1
909 1 16 THR H 1 38 LEU MD1 4.600 . 6.000 5.066 4.676 5.470 . 0 0 "[ . 1]" 1
910 1 16 THR HA 1 16 THR HB 3.300 . 4.700 2.752 2.373 2.856 . 0 0 "[ . 1]" 1
911 1 16 THR HA 1 16 THR HB 2.600 . 3.400 2.686 2.350 2.785 . 0 0 "[ . 1]" 1
912 1 16 THR HA 1 16 THR MG 2.300 . 3.000 2.966 2.858 3.184 0.184 7 0 "[ . 1]" 1
913 1 16 THR HA 1 17 GLY H 3.000 . 4.100 2.309 2.295 2.327 . 0 0 "[ . 1]" 1
914 1 16 THR HA 1 18 ALA MB 3.200 . 4.500 3.610 3.422 3.805 . 0 0 "[ . 1]" 1
915 1 16 THR HA 1 18 ALA MB 3.300 . 4.700 3.315 3.191 3.377 . 0 0 "[ . 1]" 1
916 1 16 THR HA 1 38 LEU MD2 3.300 . 4.700 3.136 2.427 4.070 . 0 0 "[ . 1]" 1
917 1 16 THR HA 1 38 LEU HG 3.600 . 5.200 5.335 4.237 6.064 0.864 8 4 "[ -*. *+ 1]" 1
918 1 16 THR HB 1 16 THR MG 2.000 . 2.500 2.096 2.073 2.107 . 0 0 "[ . 1]" 1
919 1 16 THR HB 1 17 GLY H 2.900 . 4.000 3.496 3.318 3.804 . 0 0 "[ . 1]" 1
920 1 16 THR HB 1 17 GLY HA3 3.800 . 5.600 5.735 5.631 5.906 0.306 3 0 "[ . 1]" 1
921 1 16 THR HB 1 17 GLY HA3 3.100 . 4.300 4.584 4.427 4.706 0.406 3 0 "[ . 1]" 1
922 1 16 THR HB 1 18 ALA H 2.600 . 3.400 3.562 3.520 3.666 0.266 7 0 "[ . 1]" 1
923 1 16 THR HB 1 18 ALA HA 3.500 . 5.000 3.995 3.907 4.084 . 0 0 "[ . 1]" 1
924 1 16 THR HB 1 23 ALA HA 3.000 . 4.100 3.755 3.547 4.186 0.086 2 0 "[ . 1]" 1
925 1 16 THR HB 1 41 PHE HZ 3.600 . 5.200 4.426 4.405 4.450 . 0 0 "[ . 1]" 1
926 1 16 THR MG 1 17 GLY H 3.400 . 4.900 2.685 1.523 3.168 0.377 3 0 "[ . 1]" 1
927 1 16 THR MG 1 17 GLY HA3 3.100 . 4.300 3.774 3.614 4.005 . 0 0 "[ . 1]" 1
928 1 16 THR MG 1 18 ALA H 2.900 . 4.000 1.645 1.573 1.754 0.227 1 0 "[ . 1]" 1
929 1 16 THR MG 1 18 ALA HA 3.400 . 4.900 3.214 2.889 3.822 . 0 0 "[ . 1]" 1
930 1 16 THR MG 1 26 PHE HZ 3.500 . 5.000 2.062 1.484 3.298 0.516 8 1 "[ . + 1]" 1
931 1 16 THR MG 1 38 LEU HA 3.400 . 4.900 4.966 4.617 5.341 0.441 10 0 "[ . 1]" 1
932 1 16 THR MG 1 38 LEU HG 3.800 . 5.600 5.386 4.893 5.865 0.265 4 0 "[ . 1]" 1
933 1 16 THR MG 1 41 PHE QB 3.200 . 4.500 4.048 3.824 4.437 . 0 0 "[ . 1]" 1
934 1 16 THR MG 1 41 PHE QD 2.700 . 3.600 3.354 2.986 4.283 0.683 7 2 "[ - . + 1]" 1
935 1 17 GLY H 1 17 GLY HA2 2.500 . 3.300 2.347 2.331 2.365 . 0 0 "[ . 1]" 1
936 1 17 GLY H 1 17 GLY HA3 2.900 . 3.900 2.853 2.774 2.888 . 0 0 "[ . 1]" 1
937 1 17 GLY H 1 18 ALA H 2.500 . 3.300 2.527 2.317 2.780 . 0 0 "[ . 1]" 1
938 1 17 GLY H 1 18 ALA MB 4.400 . 6.000 4.171 3.866 4.418 . 0 0 "[ . 1]" 1
939 1 17 GLY HA2 1 18 ALA H 3.100 . 4.300 3.083 3.004 3.131 . 0 0 "[ . 1]" 1
940 1 17 GLY HA3 1 18 ALA H 3.500 . 5.100 3.442 3.390 3.487 . 0 0 "[ . 1]" 1
941 1 17 GLY HA3 1 18 ALA HA 3.300 . 4.600 4.538 4.470 4.623 0.023 3 0 "[ . 1]" 1
942 1 17 GLY HA3 1 18 ALA HA 3.200 . 4.500 4.529 4.463 4.614 0.114 3 0 "[ . 1]" 1
943 1 18 ALA H 1 18 ALA HA 2.300 . 3.000 2.905 2.835 2.977 . 0 0 "[ . 1]" 1
944 1 18 ALA H 1 18 ALA HA 2.300 . 3.000 2.738 2.603 2.804 . 0 0 "[ . 1]" 1
945 1 18 ALA H 1 18 ALA MB 2.200 . 2.800 2.172 2.011 2.311 . 0 0 "[ . 1]" 1
946 1 18 ALA H 1 19 GLU H 4.900 . 6.000 4.519 4.396 4.616 . 0 0 "[ . 1]" 1
947 1 18 ALA H 1 23 ALA H 4.000 . 6.000 5.488 5.176 5.848 . 0 0 "[ . 1]" 1
948 1 18 ALA HA 1 18 ALA MB 2.200 . 2.800 2.137 2.121 2.151 . 0 0 "[ . 1]" 1
949 1 18 ALA HA 1 19 GLU H 2.100 . 2.700 2.482 2.407 2.567 . 0 0 "[ . 1]" 1
950 1 18 ALA HA 1 19 GLU HB3 2.300 . 2.900 2.787 2.388 2.897 . 0 0 "[ . 1]" 1
951 1 18 ALA HA 1 19 GLU HB3 2.200 . 2.800 2.750 2.388 2.847 0.047 7 0 "[ . 1]" 1
952 1 18 ALA HA 1 38 LEU HA 3.500 . 5.000 4.064 4.038 4.083 . 0 0 "[ . 1]" 1
953 1 18 ALA HA 1 38 LEU HA 3.200 . 4.500 4.430 4.366 4.459 . 0 0 "[ . 1]" 1
954 1 18 ALA HA 1 22 ARG H 4.000 . 6.000 4.295 4.013 4.952 . 0 0 "[ . 1]" 1
955 1 18 ALA HA 1 19 GLU HB3 3.100 . 4.300 3.866 3.463 4.335 0.035 10 0 "[ . 1]" 1
956 1 18 ALA HA 1 22 ARG QD 3.800 . 5.600 4.019 2.299 4.615 . 0 0 "[ . 1]" 1
957 1 18 ALA HA 1 41 PHE HZ 3.300 . 4.700 2.738 2.169 3.620 . 0 0 "[ . 1]" 1
958 1 18 ALA HA 1 38 LEU HA 3.800 . 5.600 5.306 4.625 5.802 0.202 2 0 "[ . 1]" 1
959 1 18 ALA HA 1 26 PHE HZ 3.700 . 5.400 4.903 3.653 5.886 0.486 5 0 "[ . 1]" 1
960 1 18 ALA HA 1 41 PHE HZ 3.300 . 4.700 2.773 2.175 3.755 . 0 0 "[ . 1]" 1
961 1 18 ALA MB 1 19 GLU HB3 3.800 . 5.600 3.784 3.472 4.015 . 0 0 "[ . 1]" 1
962 1 18 ALA MB 1 19 GLU HB3 3.400 . 4.800 3.659 3.383 3.893 . 0 0 "[ . 1]" 1
963 1 18 ALA MB 1 19 GLU H 2.600 . 3.500 2.135 1.812 2.345 . 0 0 "[ . 1]" 1
964 1 18 ALA MB 1 19 GLU H 2.700 . 3.600 1.773 1.683 1.883 0.117 4 0 "[ . 1]" 1
965 1 18 ALA MB 1 19 GLU HB2 2.900 . 3.900 2.154 1.770 3.200 0.130 4 0 "[ . 1]" 1
966 1 18 ALA MB 1 19 GLU HB3 3.900 . 5.800 4.168 3.643 4.574 . 0 0 "[ . 1]" 1
967 1 18 ALA MB 1 19 GLU QG 3.700 . 5.400 3.640 2.722 4.190 . 0 0 "[ . 1]" 1
968 1 18 ALA MB 1 22 ARG H 3.900 . 5.800 4.262 3.928 4.496 . 0 0 "[ . 1]" 1
969 1 18 ALA MB 1 22 ARG HA 2.900 . 3.900 3.522 3.487 3.553 . 0 0 "[ . 1]" 1
970 1 18 ALA MB 1 22 ARG HB2 3.600 . 5.200 3.402 3.069 4.009 . 0 0 "[ . 1]" 1
971 1 18 ALA MB 1 22 ARG QB 2.500 . 3.300 2.141 1.762 3.236 . 0 0 "[ . 1]" 1
972 1 18 ALA MB 1 22 ARG QD 3.500 . 5.000 2.600 1.884 3.516 0.116 2 0 "[ . 1]" 1
973 1 18 ALA MB 1 23 ALA H 3.500 . 5.000 2.667 2.317 3.407 . 0 0 "[ . 1]" 1
974 1 18 ALA MB 1 23 ALA HA 2.900 . 3.900 2.224 1.866 2.419 0.034 7 0 "[ . 1]" 1
975 1 18 ALA MB 1 23 ALA MB 2.600 . 3.500 2.211 1.751 3.229 . 0 0 "[ . 1]" 1
976 1 18 ALA MB 1 23 ALA MB 1.400 . 2.200 1.664 1.566 1.757 . 0 0 "[ . 1]" 1
977 1 18 ALA MB 1 41 PHE QB 3.500 . 5.000 3.661 2.933 4.012 . 0 0 "[ . 1]" 1
978 1 18 ALA MB 1 26 PHE HZ 3.000 . 4.100 2.598 1.682 3.293 0.218 7 0 "[ . 1]" 1
979 1 18 ALA MB 1 41 PHE QB 3.500 . 5.000 4.062 3.830 4.284 . 0 0 "[ . 1]" 1
980 1 18 ALA MB 1 41 PHE QB 3.700 . 5.400 3.867 3.706 4.040 . 0 0 "[ . 1]" 1
981 1 18 ALA MB 1 38 LEU HA 5.000 . 6.000 6.608 6.140 6.989 0.989 10 7 "[***** - +]" 1
982 1 18 ALA MB 1 38 LEU HA 2.500 . 3.300 2.511 2.446 2.549 . 0 0 "[ . 1]" 1
983 1 18 ALA MB 1 38 LEU HG 2.600 . 3.400 2.338 2.263 2.408 . 0 0 "[ . 1]" 1
984 1 18 ALA MB 1 41 PHE QD 3.200 . 4.500 4.092 3.714 4.362 . 0 0 "[ . 1]" 1
985 1 18 ALA MB 1 41 PHE QE 2.800 . 3.800 2.621 2.043 2.960 . 0 0 "[ . 1]" 1
986 1 19 GLU H 1 19 GLU HA 2.400 . 3.100 2.920 2.872 2.954 . 0 0 "[ . 1]" 1
987 1 19 GLU H 1 19 GLU HB2 2.900 . 3.900 2.891 1.878 3.532 0.022 2 0 "[ . 1]" 1
988 1 19 GLU H 1 19 GLU HB2 2.100 . 2.600 1.977 1.710 2.891 0.291 10 0 "[ . 1]" 1
989 1 19 GLU H 1 19 GLU HB3 2.800 . 3.800 2.493 2.017 2.975 . 0 0 "[ . 1]" 1
990 1 19 GLU H 1 19 GLU HB3 2.000 . 2.500 2.001 1.837 2.195 . 0 0 "[ . 1]" 1
991 1 19 GLU H 1 19 GLU QG 4.000 . 4.500 3.147 1.961 3.461 0.039 10 0 "[ . 1]" 1
992 1 19 GLU H 1 20 GLU H 4.500 . 6.000 4.515 4.378 4.572 . 0 0 "[ . 1]" 1
993 1 19 GLU H 1 22 ARG HB2 3.100 . 4.300 2.421 1.945 3.327 . 0 0 "[ . 1]" 1
994 1 19 GLU H 1 22 ARG QG 4.700 . 6.000 3.261 2.117 3.914 . 0 0 "[ . 1]" 1
995 1 19 GLU H 1 22 ARG QG 3.100 . 4.300 3.228 2.116 3.819 . 0 0 "[ . 1]" 1
996 1 19 GLU H 1 23 ALA H 3.300 . 4.700 3.169 2.447 4.236 . 0 0 "[ . 1]" 1
997 1 19 GLU HA 1 19 GLU HB2 2.600 . 3.500 2.343 2.201 2.543 . 0 0 "[ . 1]" 1
998 1 19 GLU HA 1 19 GLU QG 2.300 . 2.800 2.687 1.949 3.346 0.546 10 2 "[ - +]" 1
999 1 19 GLU HA 1 20 GLU H 2.200 . 2.800 2.363 2.253 2.713 . 0 0 "[ . 1]" 1
1000 1 19 GLU HA 1 20 GLU HA 2.900 . 3.900 4.068 4.042 4.088 0.188 9 0 "[ . 1]" 1
1001 1 19 GLU HA 1 20 GLU HA 3.400 . 4.800 4.079 3.773 4.258 . 0 0 "[ . 1]" 1
1002 1 19 GLU HA 1 22 ARG QD 3.800 . 5.600 4.863 4.119 5.092 . 0 0 "[ . 1]" 1
1003 1 19 GLU HA 1 21 ASP HB2 3.400 . 4.800 3.833 3.721 3.903 . 0 0 "[ . 1]" 1
1004 1 19 GLU HA 1 21 ASP HB2 3.400 . 4.800 3.715 3.621 3.768 . 0 0 "[ . 1]" 1
1005 1 19 GLU HA 1 22 ARG H 3.100 . 4.300 2.780 2.740 2.809 . 0 0 "[ . 1]" 1
1006 1 19 GLU HA 1 22 ARG HB2 3.100 . 4.300 2.426 1.942 2.700 . 0 0 "[ . 1]" 1
1007 1 19 GLU HA 1 22 ARG HB2 2.200 . 2.800 2.989 1.987 3.778 0.978 2 4 "[ + .-* *1]" 1
1008 1 19 GLU HB2 1 19 GLU HG2 2.000 . 2.500 2.214 2.039 2.326 . 0 0 "[ . 1]" 1
1009 1 19 GLU HB2 1 19 GLU QG 2.600 . 3.500 2.210 2.032 2.324 . 0 0 "[ . 1]" 1
1010 1 19 GLU HB2 1 19 GLU QG 2.300 . 2.300 2.120 2.014 2.253 . 0 0 "[ . 1]" 1
1011 1 19 GLU HB2 1 21 ASP HA 3.200 . 4.500 3.852 3.755 3.890 . 0 0 "[ . 1]" 1
1012 1 19 GLU HB2 1 21 ASP HA 3.400 . 4.900 3.780 3.691 3.848 . 0 0 "[ . 1]" 1
1013 1 19 GLU HB2 1 21 ASP QB 3.200 . 4.500 3.878 3.646 4.131 . 0 0 "[ . 1]" 1
1014 1 19 GLU HB2 1 22 ARG H 2.800 . 3.800 2.722 1.833 2.878 . 0 0 "[ . 1]" 1
1015 1 19 GLU HB3 1 20 GLU H 2.700 . 3.600 1.741 1.576 1.795 0.224 10 0 "[ . 1]" 1
1016 1 19 GLU HB3 1 21 ASP HB2 3.600 . 5.200 3.309 2.885 3.845 . 0 0 "[ . 1]" 1
1017 1 19 GLU HB3 1 19 GLU QG 1.900 . 2.300 2.274 2.128 2.390 0.090 5 0 "[ . 1]" 1
1018 1 19 GLU HB3 1 20 GLU H 3.900 . 5.800 1.746 1.576 1.811 0.424 10 0 "[ . 1]" 1
1019 1 19 GLU HB3 1 21 ASP HA 3.600 . 5.200 4.260 4.141 4.326 . 0 0 "[ . 1]" 1
1020 1 19 GLU HB3 1 22 ARG HB2 1.600 . 2.200 1.515 1.323 1.682 . 0 0 "[ . 1]" 1
1021 1 19 GLU HB3 1 21 ASP HA 3.900 . 5.800 5.645 4.959 6.446 0.646 5 1 "[ + 1]" 1
1022 1 19 GLU HB3 1 21 ASP QB 3.300 . 4.700 4.172 3.232 5.374 0.674 5 1 "[ + 1]" 1
1023 1 19 GLU HB3 1 22 ARG H 4.800 . 6.000 2.754 1.971 4.481 . 0 0 "[ . 1]" 1
1024 1 19 GLU HB3 1 22 ARG HD2 3.400 . 4.800 3.789 3.573 4.284 . 0 0 "[ . 1]" 1
1025 1 19 GLU HB3 1 22 ARG QG 3.600 . 5.200 3.535 2.856 4.848 . 0 0 "[ . 1]" 1
1026 1 19 GLU HB3 1 22 ARG QG 3.100 . 4.300 2.032 1.991 2.083 . 0 0 "[ . 1]" 1
1027 1 19 GLU HB3 1 22 ARG HG3 3.100 . 4.300 2.038 1.999 2.088 . 0 0 "[ . 1]" 1
1028 1 19 GLU QG 1 20 GLU H 2.600 . 3.400 2.470 1.630 3.391 0.170 4 0 "[ . 1]" 1
1029 1 19 GLU QG 1 21 ASP HB2 3.400 . 4.900 3.173 2.175 4.970 0.070 2 0 "[ . 1]" 1
1030 1 19 GLU QG 1 20 GLU H . . 3.400 3.023 2.577 3.448 0.048 8 0 "[ . 1]" 1
1031 1 19 GLU QG 1 20 GLU HA 3.500 . 5.000 4.675 4.084 5.754 0.754 8 3 "[ - .* + 1]" 1
1032 1 19 GLU QG 1 21 ASP H 3.600 . 5.200 2.798 1.614 4.545 0.386 4 0 "[ . 1]" 1
1033 1 19 GLU QG 1 21 ASP HA 3.500 . 5.000 4.327 3.560 5.571 0.571 2 1 "[ + . 1]" 1
1034 1 19 GLU QG 1 22 ARG H 3.400 . 4.800 2.312 1.303 4.282 0.697 3 5 "[* +-. * *1]" 1
1035 1 19 GLU QG 1 22 ARG QG 3.700 . 5.400 3.073 2.221 3.668 . 0 0 "[ . 1]" 1
1036 1 19 GLU QG 1 23 ALA H 3.600 . 5.200 4.054 2.971 5.669 0.469 6 0 "[ . 1]" 1
1037 1 19 GLU QG 1 23 ALA H 3.800 . 5.600 3.862 2.968 5.364 . 0 0 "[ . 1]" 1
1038 1 20 GLU H 1 20 GLU HA 2.800 . 3.800 2.745 2.694 2.903 . 0 0 "[ . 1]" 1
1039 1 20 GLU H 1 20 GLU HA 2.100 . 2.700 2.655 2.615 2.775 0.075 10 0 "[ . 1]" 1
1040 1 20 GLU H 1 20 GLU QB 2.300 . 3.000 2.793 2.731 2.891 . 0 0 "[ . 1]" 1
1041 1 20 GLU H 1 20 GLU QG . . 3.100 1.750 1.579 1.818 0.321 10 0 "[ . 1]" 1
1042 1 20 GLU H 1 24 ARG H 3.700 . 6.000 5.877 5.650 6.142 0.142 6 0 "[ . 1]" 1
1043 1 20 GLU HA 1 20 GLU QB 2.200 . 2.800 2.182 2.175 2.185 . 0 0 "[ . 1]" 1
1044 1 20 GLU HA 1 20 GLU QG 2.500 . 3.000 3.183 3.158 3.206 0.206 2 0 "[ . 1]" 1
1045 1 20 GLU HA 1 20 GLU QG 3.200 . 4.400 2.500 2.286 2.703 . 0 0 "[ . 1]" 1
1046 1 20 GLU HA 1 21 ASP H 3.600 . 5.200 3.539 3.524 3.559 . 0 0 "[ . 1]" 1
1047 1 20 GLU HA 1 21 ASP HA 3.300 . 4.700 4.729 4.681 4.827 0.127 10 0 "[ . 1]" 1
1048 1 20 GLU HA 1 21 ASP QB 3.800 . 5.600 5.325 5.108 5.517 . 0 0 "[ . 1]" 1
1049 1 20 GLU HA 1 22 ARG H 3.200 . 4.500 4.882 4.690 5.035 0.535 7 3 "[ * . +- 1]" 1
1050 1 20 GLU HA 1 23 ALA H 3.300 . 4.700 4.340 3.846 4.614 . 0 0 "[ . 1]" 1
1051 1 20 GLU HA 1 24 ARG H 3.900 . 5.800 4.089 3.686 4.346 . 0 0 "[ . 1]" 1
1052 1 20 GLU QB 1 21 ASP H 2.400 . 3.100 2.798 2.776 2.820 . 0 0 "[ . 1]" 1
1053 1 20 GLU QG 1 21 ASP H 4.000 . 5.400 1.859 1.817 1.923 0.183 5 0 "[ . 1]" 1
1054 1 21 ASP H 1 21 ASP HA 2.600 . 3.500 2.881 2.830 2.904 . 0 0 "[ . 1]" 1
1055 1 21 ASP H 1 21 ASP HB2 2.300 . 3.000 2.223 1.956 2.561 . 0 0 "[ . 1]" 1
1056 1 21 ASP H 1 21 ASP QB 2.100 . 2.700 2.192 1.939 2.502 . 0 0 "[ . 1]" 1
1057 1 21 ASP H 1 22 ARG H 2.500 . 3.300 2.672 2.557 2.850 . 0 0 "[ . 1]" 1
1058 1 21 ASP H 1 22 ARG HG2 4.400 . 6.000 4.478 4.317 4.596 . 0 0 "[ . 1]" 1
1059 1 21 ASP H 1 23 ALA H 4.000 . 6.000 4.355 4.098 4.581 . 0 0 "[ . 1]" 1
1060 1 21 ASP HA 1 21 ASP QB 2.000 . 2.500 2.438 2.315 2.541 0.041 8 0 "[ . 1]" 1
1061 1 21 ASP HA 1 22 ARG H 3.100 . 4.300 3.594 3.549 3.616 . 0 0 "[ . 1]" 1
1062 1 21 ASP HA 1 24 ARG HB2 2.300 . 2.900 1.948 1.799 2.165 . 0 0 "[ . 1]" 1
1063 1 21 ASP HA 1 24 ARG H 2.900 . 3.900 3.557 3.532 3.577 . 0 0 "[ . 1]" 1
1064 1 21 ASP HA 1 24 ARG HA 3.800 . 5.600 5.139 5.071 5.272 . 0 0 "[ . 1]" 1
1065 1 21 ASP HA 1 24 ARG HB2 2.300 . 3.000 2.635 2.502 2.756 . 0 0 "[ . 1]" 1
1066 1 21 ASP HA 1 24 ARG QB 2.900 . 4.000 2.404 2.303 2.526 . 0 0 "[ . 1]" 1
1067 1 21 ASP HA 1 24 ARG HB3 2.800 . 3.800 2.781 2.639 2.933 . 0 0 "[ . 1]" 1
1068 1 21 ASP HA 1 24 ARG QG 3.000 . 4.100 4.353 4.226 4.541 0.441 4 0 "[ . 1]" 1
1069 1 21 ASP HA 1 25 PHE QB 3.400 . 4.800 4.765 4.434 5.052 0.252 6 0 "[ . 1]" 1
1070 1 21 ASP QB 1 24 ARG H 3.400 . 4.800 4.690 4.545 4.798 . 0 0 "[ . 1]" 1
1071 1 21 ASP QB 1 22 ARG H 2.600 . 3.400 2.600 2.367 2.783 . 0 0 "[ . 1]" 1
1072 1 21 ASP QB 1 22 ARG HA 3.300 . 4.700 3.886 3.767 3.960 . 0 0 "[ . 1]" 1
1073 1 21 ASP QB 1 22 ARG HA 3.300 . 4.700 3.831 3.656 3.947 . 0 0 "[ . 1]" 1
1074 1 21 ASP HB2 1 22 ARG HG2 3.200 . 4.500 4.366 4.261 4.688 0.188 2 0 "[ . 1]" 1
1075 1 21 ASP QB 1 23 ALA H 3.600 . 5.200 4.831 4.644 5.073 . 0 0 "[ . 1]" 1
1076 1 21 ASP QB 1 24 ARG H 3.700 . 5.500 5.052 5.003 5.110 . 0 0 "[ . 1]" 1
1077 1 21 ASP QB 1 24 ARG QB 3.800 . 5.600 4.120 3.938 4.282 . 0 0 "[ . 1]" 1
1078 1 21 ASP QB 1 24 ARG HB3 3.700 . 5.400 4.567 4.259 4.844 . 0 0 "[ . 1]" 1
1079 1 21 ASP HB2 1 22 ARG H 3.100 . 4.300 2.848 2.404 3.397 . 0 0 "[ . 1]" 1
1080 1 22 ARG H 1 22 ARG HA 2.300 . 2.900 2.814 2.767 2.840 . 0 0 "[ . 1]" 1
1081 1 22 ARG H 1 22 ARG HA 2.600 . 3.500 2.315 1.951 2.605 . 0 0 "[ . 1]" 1
1082 1 22 ARG H 1 22 ARG HB2 2.000 . 2.500 1.978 1.846 2.936 0.436 2 0 "[ . 1]" 1
1083 1 22 ARG H 1 22 ARG HB3 2.800 . 3.800 2.854 1.842 3.002 . 0 0 "[ . 1]" 1
1084 1 22 ARG H 1 22 ARG HD2 5.000 . 6.000 4.815 4.608 5.016 . 0 0 "[ . 1]" 1
1085 1 22 ARG H 1 22 ARG HG2 3.700 . 5.400 3.683 3.623 3.772 . 0 0 "[ . 1]" 1
1086 1 22 ARG H 1 22 ARG QG 3.900 . 5.800 3.430 3.392 3.489 . 0 0 "[ . 1]" 1
1087 1 22 ARG H 1 23 ALA H 2.400 . 3.100 2.796 2.679 2.828 . 0 0 "[ . 1]" 1
1088 1 22 ARG H 1 23 ALA HA 3.600 . 5.200 5.411 5.332 5.439 0.239 1 0 "[ . 1]" 1
1089 1 22 ARG H 1 23 ALA HA 3.100 . 4.300 4.344 4.112 4.548 0.248 9 0 "[ . 1]" 1
1090 1 22 ARG H 1 23 ALA MB 3.700 . 5.400 4.238 4.151 4.317 . 0 0 "[ . 1]" 1
1091 1 22 ARG H 1 24 ARG H 3.900 . 5.800 4.322 4.050 4.543 . 0 0 "[ . 1]" 1
1092 1 22 ARG H 1 24 ARG HB3 3.300 . 4.700 3.492 3.264 3.984 . 0 0 "[ . 1]" 1
1093 1 22 ARG H 1 25 PHE QB 3.300 . 4.600 4.472 4.161 4.742 0.142 9 0 "[ . 1]" 1
1094 1 22 ARG H 1 25 PHE QB 3.400 . 4.800 4.343 4.084 4.561 . 0 0 "[ . 1]" 1
1095 1 22 ARG HA 1 22 ARG HB2 2.000 . 2.500 2.111 1.875 2.331 . 0 0 "[ . 1]" 1
1096 1 22 ARG HA 1 22 ARG HB2 3.100 . 4.300 2.448 1.943 2.749 . 0 0 "[ . 1]" 1
1097 1 22 ARG HA 1 22 ARG QD 2.200 . 2.800 2.816 2.456 3.994 1.194 2 1 "[ + . 1]" 1
1098 1 22 ARG HA 1 22 ARG QG 2.200 . 2.800 1.997 1.816 2.283 . 0 0 "[ . 1]" 1
1099 1 22 ARG HA 1 22 ARG HG2 2.100 . 2.600 2.017 1.825 2.372 . 0 0 "[ . 1]" 1
1100 1 22 ARG HA 1 23 ALA H 2.500 . 3.300 2.738 2.704 2.766 . 0 0 "[ . 1]" 1
1101 1 22 ARG HA 1 23 ALA H 3.100 . 4.300 3.447 3.284 3.523 . 0 0 "[ . 1]" 1
1102 1 22 ARG HA 1 25 PHE H 3.500 . 5.100 3.553 3.513 3.581 . 0 0 "[ . 1]" 1
1103 1 22 ARG HA 1 25 PHE H 3.200 . 4.400 3.112 2.752 3.369 . 0 0 "[ . 1]" 1
1104 1 22 ARG HA 1 25 PHE HA 2.500 . 3.300 2.462 2.280 2.542 . 0 0 "[ . 1]" 1
1105 1 22 ARG HA 1 25 PHE QB 2.300 . 2.900 2.432 2.226 2.647 . 0 0 "[ . 1]" 1
1106 1 22 ARG HA 1 25 PHE QB 3.100 . 4.300 2.141 2.040 2.249 . 0 0 "[ . 1]" 1
1107 1 22 ARG HA 1 25 PHE QD 3.100 . 4.300 2.970 2.070 4.221 . 0 0 "[ . 1]" 1
1108 1 22 ARG HA 1 25 PHE QE 3.600 . 5.200 4.813 4.289 5.491 0.291 9 0 "[ . 1]" 1
1109 1 22 ARG HA 1 25 PHE QE 3.500 . 5.000 4.796 4.285 5.466 0.466 9 0 "[ . 1]" 1
1110 1 22 ARG HA 1 26 PHE H 3.200 . 6.000 4.518 4.376 4.618 . 0 0 "[ . 1]" 1
1111 1 22 ARG HB2 1 22 ARG QD 2.800 . 3.800 3.187 2.100 3.499 . 0 0 "[ . 1]" 1
1112 1 22 ARG HB2 1 22 ARG QG 1.800 . 2.200 2.198 2.151 2.452 0.252 2 0 "[ . 1]" 1
1113 1 22 ARG HB2 1 23 ALA H 3.200 . 4.500 3.194 3.038 3.655 . 0 0 "[ . 1]" 1
1114 1 22 ARG HB2 1 23 ALA HA 3.100 . 4.300 3.849 3.740 4.008 . 0 0 "[ . 1]" 1
1115 1 22 ARG HB3 1 23 ALA HA 3.100 . 4.300 4.030 3.881 4.942 0.642 2 1 "[ + . 1]" 1
1116 1 22 ARG HB3 1 41 PHE HZ 3.500 . 5.100 2.751 1.891 3.735 0.009 6 0 "[ . 1]" 1
1117 1 22 ARG QD 1 23 ALA HA 3.300 . 4.700 3.350 3.139 4.301 . 0 0 "[ . 1]" 1
1118 1 22 ARG QD 1 25 PHE HB2 3.000 . 4.200 3.643 3.249 4.997 0.797 2 1 "[ + . 1]" 1
1119 1 22 ARG QD 1 22 ARG QG 2.100 . 2.700 2.088 2.046 2.111 . 0 0 "[ . 1]" 1
1120 1 22 ARG QD 1 22 ARG QG 1.900 . 2.300 2.028 1.994 2.051 . 0 0 "[ . 1]" 1
1121 1 22 ARG QD 1 23 ALA HA 3.700 . 5.400 3.798 3.549 4.310 . 0 0 "[ . 1]" 1
1122 1 22 ARG QD 1 26 PHE QE 2.600 . 3.400 2.251 1.723 3.269 0.077 4 0 "[ . 1]" 1
1123 1 22 ARG QD 1 25 PHE QB 3.400 . 4.800 3.567 3.053 4.911 0.111 2 0 "[ . 1]" 1
1124 1 22 ARG QD 1 41 PHE HZ 3.500 . 5.000 3.585 2.301 4.775 . 0 0 "[ . 1]" 1
1125 1 22 ARG QD 1 26 PHE QE 3.000 . 4.200 2.256 1.724 3.294 0.076 4 0 "[ . 1]" 1
1126 1 22 ARG QD 1 41 PHE QE 3.100 . 4.300 2.895 1.709 4.193 0.191 10 0 "[ . 1]" 1
1127 1 22 ARG QD 1 41 PHE HZ 3.400 . 4.800 3.594 2.302 4.817 0.017 7 0 "[ . 1]" 1
1128 1 22 ARG HD3 1 25 PHE H 3.300 . 4.600 3.467 3.428 3.518 . 0 0 "[ . 1]" 1
1129 1 22 ARG HD3 1 26 PHE H 3.400 . 4.900 4.367 4.009 4.943 0.043 2 0 "[ . 1]" 1
1130 1 22 ARG HD3 1 25 PHE QB 2.700 . 3.600 3.343 3.082 3.643 0.043 10 0 "[ . 1]" 1
1131 1 22 ARG QG 1 26 PHE QE 2.900 . 4.000 3.187 2.357 3.337 . 0 0 "[ . 1]" 1
1132 1 22 ARG QG 1 25 PHE HB2 3.800 . 5.600 3.860 3.585 4.064 . 0 0 "[ . 1]" 1
1133 1 22 ARG HG2 1 25 PHE QB 3.100 . 4.300 3.659 3.078 3.896 . 0 0 "[ . 1]" 1
1134 1 22 ARG HG2 1 25 PHE QB 3.200 . 4.400 3.558 3.342 3.738 . 0 0 "[ . 1]" 1
1135 1 22 ARG QG 1 23 ALA HA 3.800 . 5.600 3.822 2.781 4.135 . 0 0 "[ . 1]" 1
1136 1 22 ARG QG 1 23 ALA HA 3.800 . 5.700 4.252 2.815 4.477 . 0 0 "[ . 1]" 1
1137 1 22 ARG QG 1 25 PHE HB2 3.100 . 4.300 3.727 3.419 3.939 . 0 0 "[ . 1]" 1
1138 1 22 ARG HG2 1 25 PHE QE 3.400 . 4.800 4.133 3.676 4.861 0.061 4 0 "[ . 1]" 1
1139 1 22 ARG HG2 1 25 PHE HB2 4.100 . 6.000 3.581 3.363 3.859 . 0 0 "[ . 1]" 1
1140 1 22 ARG HG3 1 25 PHE QD 3.300 . 4.600 3.995 2.864 4.500 . 0 0 "[ . 1]" 1
1141 1 22 ARG HG3 1 26 PHE QE 3.500 . 5.100 3.097 2.480 3.194 . 0 0 "[ . 1]" 1
1142 1 23 ALA H 1 23 ALA HA 2.500 . 3.300 2.856 2.816 2.884 . 0 0 "[ . 1]" 1
1143 1 23 ALA H 1 23 ALA MB 2.300 . 2.900 1.932 1.897 1.985 . 0 0 "[ . 1]" 1
1144 1 23 ALA H 1 24 ARG H 2.700 . 3.600 2.806 2.707 2.853 . 0 0 "[ . 1]" 1
1145 1 23 ALA H 1 25 PHE HB2 2.900 . 3.900 3.934 3.775 4.087 0.187 6 0 "[ . 1]" 1
1146 1 23 ALA H 1 25 PHE H 4.100 . 6.000 3.811 3.589 4.056 . 0 0 "[ . 1]" 1
1147 1 23 ALA H 1 26 PHE H 6.000 . 6.000 5.096 5.039 5.131 . 0 0 "[ . 1]" 1
1148 1 23 ALA HA 1 23 ALA MB 2.400 . 3.100 2.115 2.107 2.124 . 0 0 "[ . 1]" 1
1149 1 23 ALA HA 1 24 ARG H 3.700 . 5.400 3.581 3.558 3.602 . 0 0 "[ . 1]" 1
1150 1 23 ALA HA 1 24 ARG H 2.900 . 4.000 3.135 3.103 3.158 . 0 0 "[ . 1]" 1
1151 1 23 ALA HA 1 38 LEU HG 4.000 . 6.000 5.687 5.238 5.979 . 0 0 "[ . 1]" 1
1152 1 23 ALA HA 1 38 LEU HG 3.400 . 4.900 4.241 3.960 4.479 . 0 0 "[ . 1]" 1
1153 1 23 ALA HA 1 26 PHE QE 2.700 . 3.600 1.778 1.649 1.903 0.151 2 0 "[ . 1]" 1
1154 1 23 ALA HA 1 26 PHE H 3.200 . 4.500 3.538 3.504 3.568 . 0 0 "[ . 1]" 1
1155 1 23 ALA HA 1 26 PHE H 3.500 . 5.000 3.410 3.383 3.435 . 0 0 "[ . 1]" 1
1156 1 23 ALA HA 1 26 PHE QE 2.900 . 3.900 1.988 1.743 2.304 0.157 2 0 "[ . 1]" 1
1157 1 23 ALA HA 1 26 PHE QE 2.700 . 3.600 2.190 1.789 2.955 0.011 2 0 "[ . 1]" 1
1158 1 23 ALA HA 1 26 PHE HZ 2.600 . 3.400 3.187 2.766 3.510 0.110 6 0 "[ . 1]" 1
1159 1 23 ALA HA 1 26 PHE HZ 2.200 . 2.800 2.200 2.090 2.329 . 0 0 "[ . 1]" 1
1160 1 23 ALA HA 1 41 PHE QB 3.200 . 4.500 3.832 3.663 3.981 . 0 0 "[ . 1]" 1
1161 1 23 ALA HA 1 41 PHE QB 3.300 . 4.700 3.817 3.645 3.943 . 0 0 "[ . 1]" 1
1162 1 23 ALA HA 1 38 LEU HA 3.800 . 5.600 7.731 6.948 8.258 2.658 3 10 [**+****-**] 1
1163 1 23 ALA HA 1 41 PHE QD 2.500 . 3.300 2.475 2.135 2.756 . 0 0 "[ . 1]" 1
1164 1 23 ALA HA 1 41 PHE QB 3.300 . 4.600 3.938 3.726 4.102 . 0 0 "[ . 1]" 1
1165 1 23 ALA MB 1 27 LEU MD1 2.800 . 3.800 2.402 1.548 3.143 0.252 6 0 "[ . 1]" 1
1166 1 23 ALA MB 1 24 ARG H 2.700 . 3.600 2.305 2.136 2.444 . 0 0 "[ . 1]" 1
1167 1 23 ALA MB 1 24 ARG HA 3.200 . 4.500 3.691 3.634 3.753 . 0 0 "[ . 1]" 1
1168 1 23 ALA MB 1 25 PHE H 4.700 . 6.000 4.068 3.936 4.248 . 0 0 "[ . 1]" 1
1169 1 23 ALA MB 1 25 PHE HA 3.400 . 4.800 3.586 2.938 4.407 . 0 0 "[ . 1]" 1
1170 1 23 ALA MB 1 27 LEU H 3.000 . 4.100 2.768 1.611 3.587 0.289 9 0 "[ . 1]" 1
1171 1 24 ARG H 1 24 ARG HA 2.500 . 3.300 2.790 2.764 2.808 . 0 0 "[ . 1]" 1
1172 1 24 ARG H 1 24 ARG HB2 2.200 . 2.800 1.989 1.963 2.028 . 0 0 "[ . 1]" 1
1173 1 24 ARG H 1 24 ARG HB2 2.400 . 3.100 1.822 1.587 1.995 0.113 8 0 "[ . 1]" 1
1174 1 24 ARG H 1 24 ARG HG2 4.300 . 6.000 4.348 4.026 4.506 . 0 0 "[ . 1]" 1
1175 1 24 ARG H 1 25 PHE H 2.900 . 3.900 2.807 2.719 2.872 . 0 0 "[ . 1]" 1
1176 1 24 ARG H 1 25 PHE QB 4.700 . 6.000 4.371 4.275 4.477 . 0 0 "[ . 1]" 1
1177 1 24 ARG H 1 26 PHE H 6.000 . 6.000 4.935 4.858 5.001 . 0 0 "[ . 1]" 1
1178 1 24 ARG H 1 28 GLU H 4.100 . 6.000 5.290 5.064 5.488 . 0 0 "[ . 1]" 1
1179 1 24 ARG H 1 28 GLU QG 4.800 . 6.000 5.893 5.611 6.288 0.288 6 0 "[ . 1]" 1
1180 1 24 ARG HA 1 24 ARG QG 2.000 . 2.500 2.149 1.972 2.230 . 0 0 "[ . 1]" 1
1181 1 24 ARG HA 1 25 PHE H 6.000 . 6.000 3.508 3.474 3.538 . 0 0 "[ . 1]" 1
1182 1 24 ARG HA 1 26 PHE H 4.500 . 6.000 5.023 4.974 5.062 . 0 0 "[ . 1]" 1
1183 1 24 ARG HA 1 26 PHE HA 3.900 . 5.800 4.917 4.716 5.205 . 0 0 "[ . 1]" 1
1184 1 24 ARG HA 1 27 LEU H 2.900 . 3.900 3.531 3.501 3.574 . 0 0 "[ . 1]" 1
1185 1 24 ARG HA 1 27 LEU QB . . 2.200 1.969 1.828 2.294 0.094 10 0 "[ . 1]" 1
1186 1 24 ARG HA 1 27 LEU QD 2.400 . 3.100 2.683 2.179 3.221 0.121 10 0 "[ . 1]" 1
1187 1 24 ARG HA 1 27 LEU MD1 2.300 . 3.000 2.594 2.181 3.556 0.556 10 1 "[ . +]" 1
1188 1 24 ARG HA 1 28 GLU HG2 2.600 . 3.400 3.228 3.154 3.265 . 0 0 "[ . 1]" 1
1189 1 24 ARG HA 1 28 GLU QG 3.200 . 4.500 3.161 3.134 3.189 . 0 0 "[ . 1]" 1
1190 1 24 ARG HA 1 32 TRP QB 3.400 . 4.900 3.672 3.475 4.081 . 0 0 "[ . 1]" 1
1191 1 24 ARG QB 1 25 PHE H 3.300 . 4.600 2.661 2.514 2.749 . 0 0 "[ . 1]" 1
1192 1 24 ARG HB2 1 24 ARG QG 2.100 . 2.700 1.934 1.858 1.983 . 0 0 "[ . 1]" 1
1193 1 24 ARG HB2 1 24 ARG QG 2.000 . 2.500 2.077 2.015 2.148 . 0 0 "[ . 1]" 1
1194 1 24 ARG HB2 1 25 PHE H 3.300 . 4.600 3.519 3.504 3.541 . 0 0 "[ . 1]" 1
1195 1 24 ARG HB2 1 27 LEU H 2.900 . 3.900 2.708 2.564 2.831 . 0 0 "[ . 1]" 1
1196 1 24 ARG HB2 1 27 LEU QB 3.900 . 5.800 4.240 4.130 4.485 . 0 0 "[ . 1]" 1
1197 1 24 ARG HB2 1 27 LEU MD1 3.700 . 5.400 3.263 2.877 4.212 . 0 0 "[ . 1]" 1
1198 1 24 ARG HB3 1 25 PHE HA 3.000 . 4.200 3.989 3.964 4.026 . 0 0 "[ . 1]" 1
1199 1 24 ARG HB3 1 25 PHE QB 3.700 . 5.400 4.367 4.077 4.556 . 0 0 "[ . 1]" 1
1200 1 24 ARG HG2 1 25 PHE HB2 3.500 . 5.000 4.635 4.462 4.854 . 0 0 "[ . 1]" 1
1201 1 24 ARG HG2 1 25 PHE HB2 4.000 . 6.000 5.005 4.752 5.354 . 0 0 "[ . 1]" 1
1202 1 24 ARG HG2 1 25 PHE HB2 3.200 . 4.500 4.771 4.586 5.006 0.506 6 1 "[ .+ 1]" 1
1203 1 24 ARG QG 1 26 PHE H 3.700 . 5.400 5.345 4.896 5.755 0.355 4 0 "[ . 1]" 1
1204 1 24 ARG QG 1 28 GLU HG2 2.400 . 3.100 3.930 3.391 4.575 1.475 2 6 "[ +-*.** *1]" 1
1205 1 24 ARG QG 1 27 LEU MD1 2.400 . 3.100 3.236 2.877 3.979 0.879 10 2 "[ .- +]" 1
1206 1 24 ARG QG 1 25 PHE H 3.000 . 4.100 3.323 3.040 3.669 . 0 0 "[ . 1]" 1
1207 1 24 ARG QG 1 25 PHE HA 3.300 . 4.600 4.990 4.621 5.329 0.729 7 4 "[ **. +- 1]" 1
1208 1 24 ARG QG 1 27 LEU H 3.300 . 4.700 5.151 5.082 5.173 0.473 5 0 "[ . 1]" 1
1209 1 24 ARG QG 1 27 LEU QB 3.800 . 4.500 3.512 3.309 3.760 . 0 0 "[ . 1]" 1
1210 1 24 ARG QG 1 27 LEU QD 2.700 . 3.600 3.206 2.872 3.795 0.195 10 0 "[ . 1]" 1
1211 1 24 ARG HG2 1 29 SER QB 3.800 . 5.600 5.621 5.349 6.100 0.500 6 0 "[ . 1]" 1
1212 1 24 ARG HG2 1 25 PHE H 4.300 . 6.000 4.793 4.507 5.003 . 0 0 "[ . 1]" 1
1213 1 24 ARG HG3 1 33 ASP H 4.000 . 6.000 6.114 6.002 6.216 0.216 9 0 "[ . 1]" 1
1214 1 25 PHE H 1 25 PHE HA 2.900 . 4.000 2.871 2.864 2.875 . 0 0 "[ . 1]" 1
1215 1 25 PHE H 1 25 PHE HA 2.500 . 3.300 2.724 2.556 2.826 . 0 0 "[ . 1]" 1
1216 1 25 PHE H 1 25 PHE HB2 2.200 . 2.800 1.945 1.935 1.976 . 0 0 "[ . 1]" 1
1217 1 25 PHE H 1 25 PHE QB 2.500 . 3.300 1.929 1.919 1.962 . 0 0 "[ . 1]" 1
1218 1 25 PHE H 1 25 PHE QB 2.000 . 2.500 1.856 1.848 1.882 . 0 0 "[ . 1]" 1
1219 1 25 PHE H 1 25 PHE QD 4.100 . 6.000 3.426 2.622 3.794 . 0 0 "[ . 1]" 1
1220 1 25 PHE H 1 25 PHE QD 3.100 . 4.300 3.170 2.579 3.394 . 0 0 "[ . 1]" 1
1221 1 25 PHE H 1 26 PHE H 3.000 . 4.100 2.860 2.841 2.869 . 0 0 "[ . 1]" 1
1222 1 25 PHE H 1 26 PHE HA 4.900 . 6.000 5.323 5.303 5.345 . 0 0 "[ . 1]" 1
1223 1 25 PHE H 1 26 PHE QB 6.000 . 6.000 5.185 4.992 5.384 . 0 0 "[ . 1]" 1
1224 1 25 PHE H 1 26 PHE QD 4.500 . 6.000 4.051 3.794 4.787 . 0 0 "[ . 1]" 1
1225 1 25 PHE H 1 27 LEU H 3.700 . 5.400 3.394 3.347 3.471 . 0 0 "[ . 1]" 1
1226 1 25 PHE H 1 27 LEU QB 3.100 . 4.300 3.410 3.330 3.513 . 0 0 "[ . 1]" 1
1227 1 25 PHE H 1 27 LEU QB 3.600 . 5.200 3.106 2.586 3.289 . 0 0 "[ . 1]" 1
1228 1 25 PHE H 1 28 GLU H 4.500 . 6.000 4.642 4.560 4.860 . 0 0 "[ . 1]" 1
1229 1 25 PHE HA 1 26 PHE HA 3.000 . 4.100 3.875 3.716 4.017 . 0 0 "[ . 1]" 1
1230 1 25 PHE HA 1 25 PHE QB 2.000 . 2.500 2.546 2.532 2.550 0.050 5 0 "[ . 1]" 1
1231 1 25 PHE HA 1 25 PHE QD 2.400 . 3.100 2.366 1.942 2.810 . 0 0 "[ . 1]" 1
1232 1 25 PHE HA 1 26 PHE H 3.600 . 5.200 3.566 3.553 3.582 . 0 0 "[ . 1]" 1
1233 1 25 PHE HA 1 27 LEU H 4.500 . 6.000 4.311 4.222 4.393 . 0 0 "[ . 1]" 1
1234 1 25 PHE HA 1 28 GLU H 3.900 . 5.800 4.603 4.462 4.670 . 0 0 "[ . 1]" 1
1235 1 25 PHE HA 1 28 GLU QG 3.000 . 4.100 3.006 2.911 3.086 . 0 0 "[ . 1]" 1
1236 1 25 PHE HA 1 28 GLU QG 3.400 . 4.800 2.978 2.889 3.058 . 0 0 "[ . 1]" 1
1237 1 25 PHE HA 1 29 SER H 4.000 . 6.000 4.475 4.340 4.599 . 0 0 "[ . 1]" 1
1238 1 25 PHE QB 1 25 PHE QD 2.100 . 2.600 2.190 2.154 2.243 . 0 0 "[ . 1]" 1
1239 1 25 PHE QB 1 26 PHE H 2.400 . 3.100 2.178 2.117 2.285 . 0 0 "[ . 1]" 1
1240 1 25 PHE QB 1 26 PHE HA 2.800 . 3.800 3.723 3.684 3.743 . 0 0 "[ . 1]" 1
1241 1 25 PHE QB 1 26 PHE QB 3.400 . 4.800 3.318 3.114 3.631 . 0 0 "[ . 1]" 1
1242 1 25 PHE QB 1 26 PHE QD 3.100 . 4.300 2.944 2.235 3.671 . 0 0 "[ . 1]" 1
1243 1 25 PHE QB 1 27 LEU H 5.000 . 6.000 3.939 3.895 4.012 . 0 0 "[ . 1]" 1
1244 1 25 PHE QB 1 27 LEU H 3.800 . 5.600 3.730 3.696 3.775 . 0 0 "[ . 1]" 1
1245 1 25 PHE QB 1 28 GLU HG2 3.500 . 5.100 4.778 4.497 5.202 0.102 5 0 "[ . 1]" 1
1246 1 25 PHE HB2 1 26 PHE H 3.200 . 4.500 2.773 2.590 2.829 . 0 0 "[ . 1]" 1
1247 1 25 PHE HB3 1 25 PHE QE 2.600 . 3.400 2.287 2.136 2.468 . 0 0 "[ . 1]" 1
1248 1 25 PHE HB3 1 26 PHE QB 3.400 . 4.800 2.995 2.357 3.464 . 0 0 "[ . 1]" 1
1249 1 25 PHE HB3 1 27 LEU QB 3.500 . 5.000 3.740 3.290 3.993 . 0 0 "[ . 1]" 1
1250 1 25 PHE QD 1 26 PHE H 3.600 . 5.200 4.205 4.130 4.323 . 0 0 "[ . 1]" 1
1251 1 25 PHE QD 1 26 PHE HA 3.000 . 4.100 4.221 3.877 4.873 0.773 6 1 "[ .+ 1]" 1
1252 1 26 PHE H 1 26 PHE HA 2.300 . 3.000 2.928 2.916 2.940 . 0 0 "[ . 1]" 1
1253 1 26 PHE H 1 26 PHE QB 2.700 . 3.600 2.608 2.400 2.839 . 0 0 "[ . 1]" 1
1254 1 26 PHE H 1 26 PHE QD 2.500 . 3.300 2.099 1.824 2.912 . 0 0 "[ . 1]" 1
1255 1 26 PHE H 1 27 LEU H 2.600 . 3.500 2.318 2.246 2.391 . 0 0 "[ . 1]" 1
1256 1 26 PHE H 1 27 LEU QB 3.300 . 4.600 3.969 3.907 4.027 . 0 0 "[ . 1]" 1
1257 1 26 PHE H 1 27 LEU MD2 4.000 . 6.000 4.473 4.250 5.019 . 0 0 "[ . 1]" 1
1258 1 26 PHE H 1 28 GLU H 4.200 . 6.000 4.532 4.416 4.744 . 0 0 "[ . 1]" 1
1259 1 26 PHE H 1 28 GLU H 4.500 . 6.000 4.108 4.072 4.164 . 0 0 "[ . 1]" 1
1260 1 26 PHE H 1 29 SER QB 3.700 . 5.500 3.839 3.763 3.932 . 0 0 "[ . 1]" 1
1261 1 26 PHE HA 1 26 PHE QB 2.300 . 2.800 2.171 2.159 2.180 . 0 0 "[ . 1]" 1
1262 1 26 PHE HA 1 26 PHE QD 3.000 . 4.100 3.697 3.634 3.728 . 0 0 "[ . 1]" 1
1263 1 26 PHE HA 1 27 LEU H 3.800 . 5.600 3.390 3.360 3.412 . 0 0 "[ . 1]" 1
1264 1 26 PHE HA 1 27 LEU H 3.100 . 4.300 3.232 3.150 3.290 . 0 0 "[ . 1]" 1
1265 1 26 PHE HA 1 27 LEU QB 3.500 . 5.000 2.995 2.361 3.369 . 0 0 "[ . 1]" 1
1266 1 26 PHE HA 1 28 GLU H 3.400 . 4.800 4.462 4.266 4.889 0.089 10 0 "[ . 1]" 1
1267 1 26 PHE HA 1 28 GLU HG3 2.800 . 3.800 2.598 2.326 2.864 . 0 0 "[ . 1]" 1
1268 1 26 PHE HA 1 29 SER HA 3.400 . 4.800 3.592 3.530 3.746 . 0 0 "[ . 1]" 1
1269 1 26 PHE HA 1 37 ALA HA 3.200 . 4.500 5.080 4.122 5.856 1.356 2 5 "[-+* ** 1]" 1
1270 1 26 PHE HA 1 40 SER HA 3.700 . 5.400 5.819 4.728 7.010 1.610 5 5 "[-** +* 1]" 1
1271 1 26 PHE HA 1 40 SER QB 3.800 . 5.600 5.901 4.781 7.118 1.518 5 5 "[-** +* 1]" 1
1272 1 26 PHE HA 1 40 SER QB 3.700 . 5.300 4.874 4.104 5.863 0.563 5 1 "[ + 1]" 1
1273 1 26 PHE QB 1 26 PHE QD 2.500 . 3.100 2.145 2.133 2.180 . 0 0 "[ . 1]" 1
1274 1 26 PHE QB 1 26 PHE QE 3.500 . 5.000 3.775 3.738 3.824 . 0 0 "[ . 1]" 1
1275 1 26 PHE QB 1 26 PHE QE 2.900 . 3.900 3.202 2.844 3.625 . 0 0 "[ . 1]" 1
1276 1 26 PHE QB 1 26 PHE HZ 3.400 . 4.800 4.342 4.285 4.401 . 0 0 "[ . 1]" 1
1277 1 26 PHE QB 1 27 LEU H . . 4.600 3.754 3.699 3.829 . 0 0 "[ . 1]" 1
1278 1 26 PHE QB 1 27 LEU H 3.700 . 5.400 3.674 3.540 3.791 . 0 0 "[ . 1]" 1
1279 1 26 PHE QB 1 27 LEU HA 3.400 . 4.900 4.459 4.157 4.703 . 0 0 "[ . 1]" 1
1280 1 26 PHE QB 1 27 LEU HA 3.700 . 5.500 4.588 4.285 4.808 . 0 0 "[ . 1]" 1
1281 1 26 PHE QB 1 27 LEU HA 2.600 . 3.500 3.868 2.430 4.833 1.333 9 6 "[ * **-*+1]" 1
1282 1 26 PHE QB 1 28 GLU QG 3.900 . 5.800 4.954 4.758 5.152 . 0 0 "[ . 1]" 1
1283 1 26 PHE QB 1 37 ALA HA 3.900 . 5.800 3.870 2.484 4.980 . 0 0 "[ . 1]" 1
1284 1 26 PHE QB 1 37 ALA HA 3.000 . 4.100 3.338 2.268 4.329 0.229 2 0 "[ . 1]" 1
1285 1 26 PHE QB 1 37 ALA MB 3.800 . 5.600 4.008 2.978 4.541 . 0 0 "[ . 1]" 1
1286 1 26 PHE QB 1 37 ALA MB 3.800 . 5.600 3.760 2.954 4.160 . 0 0 "[ . 1]" 1
1287 1 26 PHE QB 1 40 SER H 4.100 . 6.000 5.977 4.525 7.186 1.186 2 4 "[ +* *- 1]" 1
1288 1 26 PHE QB 1 40 SER HA 3.700 . 5.500 4.108 3.006 4.665 . 0 0 "[ . 1]" 1
1289 1 26 PHE QB 1 40 SER HA 3.600 . 5.000 4.541 3.031 5.582 0.582 5 2 "[ + -1]" 1
1290 1 26 PHE QB 1 40 SER QB 3.000 . 4.100 3.721 2.621 4.820 0.720 5 2 "[ - + 1]" 1
1291 1 26 PHE QB 1 40 SER QB 2.900 . 3.900 3.137 2.559 3.616 . 0 0 "[ . 1]" 1
1292 1 26 PHE QB 1 41 PHE H 3.800 . 5.600 5.557 4.462 6.629 1.029 5 3 "[ *- + 1]" 1
1293 1 26 PHE QB 1 41 PHE H 3.800 . 5.600 4.683 4.170 5.226 . 0 0 "[ . 1]" 1
1294 1 26 PHE QB 1 41 PHE HA 3.300 . 4.700 4.666 2.436 6.872 2.172 5 6 "[ * +*-**1]" 1
1295 1 26 PHE QD 1 27 LEU H 3.000 . 4.100 3.078 2.232 3.481 . 0 0 "[ . 1]" 1
1296 1 26 PHE QD 1 27 LEU HA 2.500 . 3.300 3.768 2.620 4.209 0.909 6 6 "[**- *+ *1]" 1
1297 1 26 PHE QD 1 41 PHE QB 3.800 . 5.600 3.496 2.531 3.856 . 0 0 "[ . 1]" 1
1298 1 26 PHE QD 1 37 ALA MB 2.900 . 4.000 2.664 1.773 3.172 0.027 8 0 "[ . 1]" 1
1299 1 26 PHE QD 1 40 SER HA 3.600 . 5.200 5.926 5.494 6.724 1.524 5 6 "[ ***+- *]" 1
1300 1 26 PHE QD 1 41 PHE H 4.200 . 6.000 4.395 3.591 5.095 . 0 0 "[ . 1]" 1
1301 1 26 PHE QE 1 27 LEU QB 3.200 . 4.500 3.177 2.618 3.399 . 0 0 "[ . 1]" 1
1302 1 26 PHE QE 1 38 LEU MD2 3.700 . 5.400 3.918 3.744 4.316 . 0 0 "[ . 1]" 1
1303 1 26 PHE QE 1 37 ALA HA 2.300 . 3.000 2.643 2.368 2.780 . 0 0 "[ . 1]" 1
1304 1 26 PHE QE 1 41 PHE QB 3.100 . 4.300 3.453 2.918 4.223 . 0 0 "[ . 1]" 1
1305 1 26 PHE HZ 1 27 LEU QB 3.600 . 5.200 4.728 4.358 5.182 . 0 0 "[ . 1]" 1
1306 1 26 PHE HZ 1 37 ALA HA 3.000 . 4.100 4.864 4.539 5.518 1.418 4 7 "[-* +. ****]" 1
1307 1 26 PHE HZ 1 38 LEU MD2 3.600 . 5.200 3.159 2.387 3.876 . 0 0 "[ . 1]" 1
1308 1 26 PHE HZ 1 40 SER QB 3.200 . 4.500 5.166 4.816 5.659 1.159 4 9 "[** +*****-]" 1
1309 1 26 PHE HZ 1 41 PHE QB 2.300 . 3.000 2.235 2.155 2.344 . 0 0 "[ . 1]" 1
1310 1 26 PHE HZ 1 41 PHE QD 2.400 . 3.100 2.655 2.353 3.033 . 0 0 "[ . 1]" 1
1311 1 27 LEU H 1 27 LEU HA 2.200 . 2.800 2.484 2.460 2.507 . 0 0 "[ . 1]" 1
1312 1 27 LEU H 1 27 LEU HA 2.200 . 2.800 2.027 2.000 2.045 . 0 0 "[ . 1]" 1
1313 1 27 LEU H 1 27 LEU HA 2.800 . 3.800 2.320 2.181 2.471 . 0 0 "[ . 1]" 1
1314 1 27 LEU H 1 27 LEU QB 2.400 . 3.100 2.099 1.972 2.175 . 0 0 "[ . 1]" 1
1315 1 27 LEU H 1 27 LEU QD 3.400 . 4.900 3.526 3.254 3.606 . 0 0 "[ . 1]" 1
1316 1 27 LEU H 1 27 LEU HG 3.700 . 5.400 4.207 3.329 4.488 . 0 0 "[ . 1]" 1
1317 1 27 LEU H 1 28 GLU H 2.700 . 3.600 2.697 2.594 2.813 . 0 0 "[ . 1]" 1
1318 1 27 LEU H 1 29 SER H 4.100 . 6.000 3.892 3.782 3.978 . 0 0 "[ . 1]" 1
1319 1 27 LEU H 1 30 ALA MB 4.500 . 6.000 4.020 3.827 4.239 . 0 0 "[ . 1]" 1
1320 1 27 LEU H 1 37 ALA MB 2.800 . 3.800 3.569 3.189 3.759 . 0 0 "[ . 1]" 1
1321 1 27 LEU H 1 37 ALA MB 3.500 . 5.000 4.145 3.392 4.574 . 0 0 "[ . 1]" 1
1322 1 27 LEU HA 1 27 LEU QB 2.400 . 3.100 2.474 2.409 2.556 . 0 0 "[ . 1]" 1
1323 1 27 LEU HA 1 27 LEU QB 2.000 . 2.500 2.294 1.904 2.413 . 0 0 "[ . 1]" 1
1324 1 27 LEU HA 1 27 LEU QD 2.500 . 3.300 1.962 1.693 2.777 0.007 8 0 "[ . 1]" 1
1325 1 27 LEU HA 1 27 LEU MD2 2.100 . 2.600 1.796 1.420 3.267 0.667 10 1 "[ . +]" 1
1326 1 27 LEU HA 1 27 LEU HG 2.800 . 3.800 2.908 1.957 3.230 . 0 0 "[ . 1]" 1
1327 1 27 LEU HA 1 28 GLU H 3.300 . 4.700 3.550 3.523 3.565 . 0 0 "[ . 1]" 1
1328 1 27 LEU HA 1 28 GLU HA 3.000 . 4.100 3.617 3.445 3.960 . 0 0 "[ . 1]" 1
1329 1 27 LEU HA 1 28 GLU HG2 3.100 . 4.300 2.526 2.514 2.530 . 0 0 "[ . 1]" 1
1330 1 27 LEU HA 1 29 SER H 4.100 . 6.000 4.850 4.728 4.951 . 0 0 "[ . 1]" 1
1331 1 27 LEU HA 1 30 ALA H 3.200 . 4.500 4.075 3.701 4.221 . 0 0 "[ . 1]" 1
1332 1 27 LEU HA 1 31 GLY H 4.800 . 6.000 4.587 4.264 4.703 . 0 0 "[ . 1]" 1
1333 1 27 LEU HA 1 32 TRP H 3.100 . 4.300 3.097 2.936 3.161 . 0 0 "[ . 1]" 1
1334 1 27 LEU HA 1 32 TRP H 3.600 . 5.200 3.950 3.427 4.137 . 0 0 "[ . 1]" 1
1335 1 27 LEU HA 1 33 ASP H 3.700 . 5.400 3.495 3.228 3.601 . 0 0 "[ . 1]" 1
1336 1 27 LEU HA 1 37 ALA MB 2.200 . 2.800 2.321 1.959 2.594 . 0 0 "[ . 1]" 1
1337 1 27 LEU QB 1 27 LEU QD 2.400 . 2.600 1.932 1.734 2.007 . 0 0 "[ . 1]" 1
1338 1 27 LEU QB 1 27 LEU MD2 1.900 . 2.300 1.821 1.678 1.860 . 0 0 "[ . 1]" 1
1339 1 27 LEU QB 1 27 LEU HG 2.400 . 2.700 2.231 2.123 2.532 . 0 0 "[ . 1]" 1
1340 1 27 LEU QB 1 32 TRP HA 3.700 . 5.400 2.799 1.867 3.151 0.133 10 0 "[ . 1]" 1
1341 1 27 LEU QB 1 32 TRP QB 3.400 . 4.900 3.415 3.133 3.506 . 0 0 "[ . 1]" 1
1342 1 27 LEU QB 1 28 GLU H . . 3.100 2.075 1.928 2.231 . 0 0 "[ . 1]" 1
1343 1 27 LEU QB 1 28 GLU QG 4.200 . 6.000 3.812 3.626 3.933 . 0 0 "[ . 1]" 1
1344 1 27 LEU QB 1 28 GLU HG2 3.600 . 5.200 2.876 2.484 3.252 . 0 0 "[ . 1]" 1
1345 1 27 LEU QB 1 29 SER HA 3.800 . 5.600 5.676 5.342 5.951 0.351 2 0 "[ . 1]" 1
1346 1 27 LEU QB 1 32 TRP H 6.000 . 6.000 4.160 3.405 4.563 . 0 0 "[ . 1]" 1
1347 1 27 LEU QB 1 32 TRP HA 3.600 . 5.200 3.027 2.366 3.425 . 0 0 "[ . 1]" 1
1348 1 27 LEU QB 1 32 TRP QB 4.100 . 6.000 3.798 3.312 4.076 . 0 0 "[ . 1]" 1
1349 1 27 LEU QB 1 37 ALA MB 3.100 . 4.300 3.882 3.515 4.178 . 0 0 "[ . 1]" 1
1350 1 27 LEU QD 1 27 LEU HG 1.700 . 2.200 1.902 1.894 1.919 . 0 0 "[ . 1]" 1
1351 1 27 LEU QD 1 28 GLU H . . 3.100 3.112 2.782 3.636 0.536 6 1 "[ .+ 1]" 1
1352 1 27 LEU QD 1 28 GLU QG 3.400 . 4.800 4.385 4.013 4.944 0.144 6 0 "[ . 1]" 1
1353 1 27 LEU QD 1 30 ALA MB 3.500 . 5.000 3.739 3.415 4.229 . 0 0 "[ . 1]" 1
1354 1 27 LEU QD 1 32 TRP H 4.300 . 4.300 3.059 2.816 3.594 . 0 0 "[ . 1]" 1
1355 1 27 LEU QD 1 32 TRP HA 2.300 . 3.000 1.511 1.429 1.897 0.171 2 0 "[ . 1]" 1
1356 1 27 LEU QD 1 32 TRP QB 1.900 . 2.400 1.612 1.485 2.025 . 0 0 "[ . 1]" 1
1357 1 27 LEU QD 1 32 TRP HE3 2.100 . 2.700 1.743 1.615 1.953 0.085 5 0 "[ . 1]" 1
1358 1 27 LEU QD 1 33 ASP H 3.500 . 4.300 3.109 2.727 3.887 . 0 0 "[ . 1]" 1
1359 1 27 LEU QD 1 34 LEU H 3.700 . 5.500 4.571 4.325 4.962 . 0 0 "[ . 1]" 1
1360 1 27 LEU QD 1 34 LEU QB 3.400 . 4.900 4.940 4.717 5.350 0.450 6 0 "[ . 1]" 1
1361 1 27 LEU QD 1 34 LEU QD 2.300 . 2.900 2.954 2.398 3.549 0.649 6 2 "[ - .+ 1]" 1
1362 1 27 LEU QD 1 37 ALA H 4.200 . 6.000 4.560 4.101 5.091 . 0 0 "[ . 1]" 1
1363 1 27 LEU QD 1 37 ALA MB 2.900 . 3.900 2.540 2.166 3.061 . 0 0 "[ . 1]" 1
1364 1 27 LEU HG 1 28 GLU H 4.400 . 6.000 4.623 4.445 4.704 . 0 0 "[ . 1]" 1
1365 1 27 LEU HG 1 28 GLU QG 4.000 . 6.000 6.312 6.176 6.534 0.534 4 1 "[ +. 1]" 1
1366 1 27 LEU HG 1 28 GLU HG2 3.200 . 4.500 2.925 2.493 3.334 . 0 0 "[ . 1]" 1
1367 1 27 LEU HG 1 32 TRP HA 3.500 . 5.000 3.430 1.952 3.785 0.048 10 0 "[ . 1]" 1
1368 1 27 LEU HG 1 32 TRP QB 3.600 . 5.200 3.692 3.431 4.039 . 0 0 "[ . 1]" 1
1369 1 28 GLU H 1 28 GLU HA 2.500 . 3.300 2.859 2.820 2.875 . 0 0 "[ . 1]" 1
1370 1 28 GLU H 1 28 GLU QB 3.100 . 3.600 2.243 2.144 2.303 . 0 0 "[ . 1]" 1
1371 1 28 GLU H 1 28 GLU HG2 2.200 . 2.800 2.809 2.200 3.261 0.461 10 0 "[ . 1]" 1
1372 1 28 GLU H 1 29 SER H 2.600 . 3.400 2.649 2.579 2.799 . 0 0 "[ . 1]" 1
1373 1 28 GLU H 1 29 SER QB 4.500 . 4.600 3.521 3.353 3.709 . 0 0 "[ . 1]" 1
1374 1 28 GLU H 1 30 ALA H 3.900 . 5.800 4.094 4.022 4.141 . 0 0 "[ . 1]" 1
1375 1 28 GLU HA 1 29 SER H 3.400 . 4.900 2.364 2.351 2.374 . 0 0 "[ . 1]" 1
1376 1 28 GLU HA 1 28 GLU QB 2.900 . 3.900 2.179 2.172 2.187 . 0 0 "[ . 1]" 1
1377 1 28 GLU HA 1 28 GLU QG 3.300 . 4.700 3.340 3.252 3.397 . 0 0 "[ . 1]" 1
1378 1 28 GLU HA 1 29 SER H 3.200 . 4.400 3.533 3.526 3.541 . 0 0 "[ . 1]" 1
1379 1 28 GLU HA 1 29 SER H 2.600 . 3.400 3.419 3.370 3.486 0.086 10 0 "[ . 1]" 1
1380 1 28 GLU HA 1 30 ALA H 3.900 . 5.800 3.917 3.791 4.045 . 0 0 "[ . 1]" 1
1381 1 28 GLU HA 1 31 GLY H 3.400 . 4.900 2.913 2.650 2.993 . 0 0 "[ . 1]" 1
1382 1 28 GLU HA 1 31 GLY HA3 3.900 . 5.800 4.740 4.408 4.907 . 0 0 "[ . 1]" 1
1383 1 28 GLU HA 1 32 TRP HA 2.400 . 3.100 3.351 3.074 3.979 0.879 6 3 "[ .+ -*]" 1
1384 1 28 GLU HA 1 32 TRP QB 2.900 . 3.900 3.755 3.535 4.217 0.317 10 0 "[ . 1]" 1
1385 1 28 GLU HA 1 32 TRP HE1 3.000 . 6.000 2.702 2.271 2.934 . 0 0 "[ . 1]" 1
1386 1 28 GLU QB 1 28 GLU QG 2.000 . 2.500 2.056 2.029 2.096 . 0 0 "[ . 1]" 1
1387 1 28 GLU QB 1 29 SER H 3.300 . 4.600 3.222 3.207 3.233 . 0 0 "[ . 1]" 1
1388 1 28 GLU QB 1 29 SER H 2.800 . 3.700 3.083 3.018 3.177 . 0 0 "[ . 1]" 1
1389 1 28 GLU QB 1 29 SER HA 3.400 . 4.800 4.009 3.927 4.072 . 0 0 "[ . 1]" 1
1390 1 28 GLU QB 1 29 SER QB 2.900 . 4.000 4.044 3.889 4.269 0.269 6 0 "[ . 1]" 1
1391 1 28 GLU QB 1 30 ALA H 4.800 . 6.000 4.783 4.696 4.850 . 0 0 "[ . 1]" 1
1392 1 28 GLU QB 1 30 ALA H 3.400 . 4.800 3.682 3.435 3.851 . 0 0 "[ . 1]" 1
1393 1 28 GLU QB 1 30 ALA H 3.100 . 4.300 2.392 2.252 2.568 . 0 0 "[ . 1]" 1
1394 1 28 GLU QB 1 32 TRP HA 4.000 . 6.000 4.488 4.173 5.054 . 0 0 "[ . 1]" 1
1395 1 28 GLU QB 1 32 TRP QB 3.600 . 5.200 4.455 4.220 5.004 . 0 0 "[ . 1]" 1
1396 1 28 GLU QB 1 32 TRP HE1 4.100 . 5.800 2.306 1.991 2.447 0.009 9 0 "[ . 1]" 1
1397 1 28 GLU QB 1 32 TRP HH2 3.100 . 4.300 3.537 3.287 4.115 . 0 0 "[ . 1]" 1
1398 1 28 GLU QB 1 32 TRP HZ2 2.900 . 4.000 2.425 2.269 2.608 . 0 0 "[ . 1]" 1
1399 1 28 GLU QB 1 33 ASP H 3.700 . 5.400 4.389 3.508 5.229 . 0 0 "[ . 1]" 1
1400 1 28 GLU QG 1 29 SER HB2 3.500 . 5.000 2.914 2.829 2.982 . 0 0 "[ . 1]" 1
1401 1 28 GLU QG 1 29 SER QB 3.400 . 4.800 2.897 2.809 2.974 . 0 0 "[ . 1]" 1
1402 1 28 GLU QG 1 29 SER HB2 2.800 . 3.800 2.906 2.824 2.968 . 0 0 "[ . 1]" 1
1403 1 28 GLU QG 1 37 ALA MB 3.500 . 5.000 4.118 3.887 4.434 . 0 0 "[ . 1]" 1
1404 1 28 GLU QG 1 29 SER H 2.200 . 2.800 1.573 1.448 1.703 0.152 10 0 "[ . 1]" 1
1405 1 28 GLU QG 1 29 SER HA 2.700 . 3.600 3.328 2.796 3.713 0.113 8 0 "[ . 1]" 1
1406 1 28 GLU QG 1 29 SER HA 2.400 . 3.100 2.656 2.313 2.884 . 0 0 "[ . 1]" 1
1407 1 28 GLU QG 1 29 SER QB 3.600 . 4.500 2.890 2.807 2.960 . 0 0 "[ . 1]" 1
1408 1 28 GLU QG 1 32 TRP QB 3.600 . 5.300 5.860 5.666 6.257 0.957 6 3 "[ .+ -*]" 1
1409 1 28 GLU QG 1 32 TRP QB 3.600 . 5.200 5.244 4.905 5.527 0.327 5 0 "[ . 1]" 1
1410 1 28 GLU HG2 1 29 SER H 4.400 . 6.000 2.637 1.780 3.190 0.220 4 0 "[ . 1]" 1
1411 1 28 GLU HG3 1 29 SER HA 2.600 . 3.400 2.675 2.318 2.905 . 0 0 "[ . 1]" 1
1412 1 28 GLU HG3 1 30 ALA MB 3.500 . 5.000 4.032 3.650 4.604 . 0 0 "[ . 1]" 1
1413 1 29 SER H 1 29 SER HA 2.700 . 3.600 2.765 2.755 2.798 . 0 0 "[ . 1]" 1
1414 1 29 SER H 1 29 SER QB 2.500 . 2.800 2.025 1.998 2.052 . 0 0 "[ . 1]" 1
1415 1 29 SER H 1 29 SER QB 2.200 . 2.800 2.018 1.989 2.044 . 0 0 "[ . 1]" 1
1416 1 29 SER H 1 30 ALA H 2.600 . 3.400 2.834 2.805 2.846 . 0 0 "[ . 1]" 1
1417 1 29 SER H 1 30 ALA HA 4.900 . 6.000 5.469 5.440 5.480 . 0 0 "[ . 1]" 1
1418 1 29 SER H 1 30 ALA MB 4.200 . 6.000 4.492 4.469 4.525 . 0 0 "[ . 1]" 1
1419 1 29 SER H 1 31 GLY H 3.900 . 5.800 3.938 3.832 3.971 . 0 0 "[ . 1]" 1
1420 1 29 SER H 1 32 TRP H 4.700 . 6.000 4.379 4.277 4.576 . 0 0 "[ . 1]" 1
1421 1 29 SER HA 1 29 SER QB 2.100 . 2.400 2.459 2.451 2.467 0.067 10 0 "[ . 1]" 1
1422 1 29 SER HA 1 30 ALA H 3.100 . 4.300 3.509 3.495 3.524 . 0 0 "[ . 1]" 1
1423 1 29 SER HA 1 30 ALA H 2.600 . 3.400 2.099 2.039 2.246 . 0 0 "[ . 1]" 1
1424 1 29 SER QB 1 30 ALA H . . 3.300 2.527 2.467 2.595 . 0 0 "[ . 1]" 1
1425 1 29 SER QB 1 30 ALA H 2.700 . 3.600 2.496 2.442 2.556 . 0 0 "[ . 1]" 1
1426 1 29 SER QB 1 30 ALA HA 3.500 . 5.000 4.078 4.053 4.139 . 0 0 "[ . 1]" 1
1427 1 29 SER QB 1 30 ALA HA 3.700 . 5.400 4.046 4.021 4.108 . 0 0 "[ . 1]" 1
1428 1 29 SER QB 1 30 ALA MB 3.200 . 4.500 3.301 3.272 3.322 . 0 0 "[ . 1]" 1
1429 1 29 SER QB 1 30 ALA MB 3.600 . 5.200 3.212 3.189 3.229 . 0 0 "[ . 1]" 1
1430 1 29 SER QB 1 31 GLY H 3.300 . 6.000 4.361 4.317 4.416 . 0 0 "[ . 1]" 1
1431 1 29 SER QB 1 40 SER QB 3.200 . 4.500 4.954 4.188 5.909 1.409 5 5 "[ *- +* * 1]" 1
1432 1 30 ALA H 1 30 ALA HA 2.300 . 3.000 2.955 2.948 2.964 . 0 0 "[ . 1]" 1
1433 1 30 ALA H 1 30 ALA MB 2.300 . 2.900 2.201 2.185 2.235 . 0 0 "[ . 1]" 1
1434 1 30 ALA H 1 31 GLY H 2.700 . 3.600 2.396 2.255 2.469 . 0 0 "[ . 1]" 1
1435 1 30 ALA H 1 31 GLY H 3.200 . 4.500 2.358 2.235 2.424 . 0 0 "[ . 1]" 1
1436 1 30 ALA H 1 31 GLY HA3 4.600 . 6.000 5.018 4.917 5.077 . 0 0 "[ . 1]" 1
1437 1 30 ALA H 1 32 TRP H 2.900 . 4.000 3.437 3.373 3.507 . 0 0 "[ . 1]" 1
1438 1 30 ALA H 1 32 TRP H 2.500 . 3.300 2.386 2.303 2.491 . 0 0 "[ . 1]" 1
1439 1 30 ALA H 1 32 TRP QB 4.600 . 6.000 5.457 5.353 5.563 . 0 0 "[ . 1]" 1
1440 1 30 ALA H 1 33 ASP H 2.900 . 3.900 3.988 3.913 4.114 0.214 6 0 "[ . 1]" 1
1441 1 30 ALA H 1 33 ASP H 6.000 . 6.000 4.567 4.376 4.703 . 0 0 "[ . 1]" 1
1442 1 30 ALA H 1 36 ILE MG 4.200 . 6.000 4.575 4.217 4.758 . 0 0 "[ . 1]" 1
1443 1 30 ALA HA 1 30 ALA MB 2.200 . 2.800 2.148 2.144 2.149 . 0 0 "[ . 1]" 1
1444 1 30 ALA HA 1 31 GLY H 3.100 . 4.300 3.271 3.253 3.296 . 0 0 "[ . 1]" 1
1445 1 30 ALA HA 1 31 GLY HA3 3.300 . 4.700 4.497 4.486 4.504 . 0 0 "[ . 1]" 1
1446 1 30 ALA HA 1 36 ILE MD 4.000 . 6.000 3.769 2.154 5.831 . 0 0 "[ . 1]" 1
1447 1 30 ALA HA 1 36 ILE MG 3.700 . 5.400 3.486 2.986 3.847 . 0 0 "[ . 1]" 1
1448 1 30 ALA MB 1 31 GLY H 3.300 . 4.600 3.277 3.258 3.285 . 0 0 "[ . 1]" 1
1449 1 30 ALA MB 1 32 TRP H 3.300 . 6.000 3.783 3.653 3.947 . 0 0 "[ . 1]" 1
1450 1 30 ALA MB 1 33 ASP H 2.800 . 6.000 3.193 3.140 3.245 . 0 0 "[ . 1]" 1
1451 1 30 ALA MB 1 33 ASP HB2 3.600 . 5.200 4.015 3.703 4.374 . 0 0 "[ . 1]" 1
1452 1 30 ALA MB 1 33 ASP HB2 3.200 . 4.500 3.456 2.613 4.230 . 0 0 "[ . 1]" 1
1453 1 30 ALA MB 1 33 ASP HB3 2.900 . 4.000 2.766 1.512 3.718 0.288 6 0 "[ . 1]" 1
1454 1 30 ALA MB 1 33 ASP HB3 3.100 . 4.300 2.238 1.510 3.217 0.390 6 0 "[ . 1]" 1
1455 1 30 ALA MB 1 36 ILE MG 2.400 . 3.100 1.557 1.495 1.610 0.205 10 0 "[ . 1]" 1
1456 1 30 ALA MB 1 36 ILE MG 2.700 . 3.600 1.606 1.549 1.669 0.251 10 0 "[ . 1]" 1
1457 1 30 ALA MB 1 36 ILE H 3.500 . 5.000 2.848 1.612 3.698 0.388 9 0 "[ . 1]" 1
1458 1 30 ALA MB 1 36 ILE HA 2.300 . 3.000 2.719 2.397 3.143 0.143 6 0 "[ . 1]" 1
1459 1 30 ALA MB 1 36 ILE HB 2.600 . 3.400 2.110 1.654 2.427 0.146 7 0 "[ . 1]" 1
1460 1 30 ALA MB 1 36 ILE MG 2.300 . 3.000 1.643 1.572 1.683 0.028 10 0 "[ . 1]" 1
1461 1 31 GLY H 1 31 GLY HA2 2.400 . 3.100 2.393 2.384 2.406 . 0 0 "[ . 1]" 1
1462 1 31 GLY H 1 31 GLY HA3 2.900 . 3.900 2.934 2.929 2.940 . 0 0 "[ . 1]" 1
1463 1 31 GLY H 1 32 TRP H 2.500 . 3.300 2.268 2.229 2.358 . 0 0 "[ . 1]" 1
1464 1 31 GLY H 1 32 TRP QB 4.100 . 6.000 4.538 4.455 4.605 . 0 0 "[ . 1]" 1
1465 1 31 GLY H 1 33 ASP H 3.900 . 5.800 3.899 3.796 3.977 . 0 0 "[ . 1]" 1
1466 1 31 GLY HA2 1 32 TRP H 2.900 . 4.000 2.801 2.734 2.839 . 0 0 "[ . 1]" 1
1467 1 31 GLY HA2 1 32 TRP HD1 2.400 . 3.100 2.116 2.053 2.273 . 0 0 "[ . 1]" 1
1468 1 31 GLY HA2 1 33 ASP H 4.300 . 6.000 4.206 4.177 4.231 . 0 0 "[ . 1]" 1
1469 1 31 GLY HA3 1 32 TRP H 3.600 . 5.200 3.514 3.505 3.535 . 0 0 "[ . 1]" 1
1470 1 31 GLY HA3 1 32 TRP HA 3.100 . 4.300 3.674 3.596 3.777 . 0 0 "[ . 1]" 1
1471 1 31 GLY HA3 1 32 TRP HD1 3.800 . 5.600 3.472 3.349 3.693 . 0 0 "[ . 1]" 1
1472 1 31 GLY HA3 1 33 ASP H 3.900 . 5.800 3.560 3.512 3.627 . 0 0 "[ . 1]" 1
1473 1 31 GLY HA3 1 33 ASP HB2 2.900 . 3.900 3.365 3.261 3.492 . 0 0 "[ . 1]" 1
1474 1 31 GLY HA3 1 33 ASP HB3 3.500 . 5.000 4.751 4.555 5.036 0.036 10 0 "[ . 1]" 1
1475 1 31 GLY HA3 1 33 ASP HB3 2.600 . 3.500 2.639 1.963 3.772 0.272 4 0 "[ . 1]" 1
1476 1 32 TRP H 1 32 TRP HA 2.500 . 3.300 2.321 2.307 2.327 . 0 0 "[ . 1]" 1
1477 1 32 TRP H 1 32 TRP QB 3.400 . 4.000 3.230 3.176 3.265 . 0 0 "[ . 1]" 1
1478 1 32 TRP H 1 33 ASP H 2.500 . 3.300 2.877 2.865 2.885 . 0 0 "[ . 1]" 1
1479 1 32 TRP HA 1 32 TRP QB 2.100 . 2.600 2.235 2.200 2.288 . 0 0 "[ . 1]" 1
1480 1 32 TRP HA 1 33 ASP H 3.600 . 5.200 2.928 2.894 2.993 . 0 0 "[ . 1]" 1
1481 1 32 TRP HA 1 33 ASP HA 3.300 . 4.600 4.648 4.602 4.679 0.079 9 0 "[ . 1]" 1
1482 1 32 TRP HA 1 37 ALA MB 3.900 . 5.800 3.963 3.681 4.206 . 0 0 "[ . 1]" 1
1483 1 32 TRP QB 1 32 TRP HD1 2.800 . 3.800 2.840 2.759 2.889 . 0 0 "[ . 1]" 1
1484 1 32 TRP QB 1 32 TRP HE3 3.100 . 4.300 2.410 2.400 2.422 . 0 0 "[ . 1]" 1
1485 1 33 ASP H 1 33 ASP HA 3.000 . 4.100 2.968 2.953 2.987 . 0 0 "[ . 1]" 1
1486 1 33 ASP H 1 33 ASP HB2 2.400 . 3.100 2.294 2.140 2.479 . 0 0 "[ . 1]" 1
1487 1 33 ASP H 1 33 ASP HB3 2.500 . 3.300 2.774 2.541 2.927 . 0 0 "[ . 1]" 1
1488 1 33 ASP H 1 33 ASP HB3 2.600 . 3.400 2.436 2.134 2.720 . 0 0 "[ . 1]" 1
1489 1 33 ASP H 1 34 LEU H 4.600 . 6.000 4.609 4.534 4.642 . 0 0 "[ . 1]" 1
1490 1 33 ASP H 1 36 ILE HB 3.500 . 5.000 4.543 3.529 5.670 0.670 4 1 "[ +. 1]" 1
1491 1 33 ASP H 1 37 ALA H 3.400 . 4.800 4.135 3.842 4.358 . 0 0 "[ . 1]" 1
1492 1 33 ASP H 1 36 ILE HB 3.700 . 5.400 3.829 2.884 4.831 . 0 0 "[ . 1]" 1
1493 1 33 ASP H 1 36 ILE MG 3.400 . 4.900 3.831 3.009 4.993 0.093 8 0 "[ . 1]" 1
1494 1 33 ASP H 1 37 ALA H 4.600 . 6.000 4.180 3.881 4.429 . 0 0 "[ . 1]" 1
1495 1 33 ASP HA 1 33 ASP HB2 2.300 . 3.000 2.676 2.559 2.763 . 0 0 "[ . 1]" 1
1496 1 33 ASP HA 1 33 ASP HB3 2.900 . 4.000 2.977 2.915 3.024 . 0 0 "[ . 1]" 1
1497 1 33 ASP HA 1 34 LEU H 2.400 . 3.100 2.341 2.209 2.445 . 0 0 "[ . 1]" 1
1498 1 33 ASP HA 1 34 LEU HA 3.300 . 4.700 4.429 4.419 4.437 . 0 0 "[ . 1]" 1
1499 1 33 ASP HA 1 35 GLN H 4.800 . 6.000 4.677 4.313 4.973 . 0 0 "[ . 1]" 1
1500 1 33 ASP HB2 1 34 LEU H 4.600 . 6.000 4.245 4.034 4.427 . 0 0 "[ . 1]" 1
1501 1 33 ASP HB2 1 36 ILE H 4.400 . 6.000 4.619 4.468 4.740 . 0 0 "[ . 1]" 1
1502 1 33 ASP HB2 1 36 ILE MG 3.300 . 4.700 3.427 2.615 4.614 . 0 0 "[ . 1]" 1
1503 1 33 ASP HB2 1 37 ALA H 3.300 . 6.000 4.699 4.273 5.023 . 0 0 "[ . 1]" 1
1504 1 33 ASP HB3 1 34 LEU H 3.600 . 5.200 3.534 3.374 3.642 . 0 0 "[ . 1]" 1
1505 1 33 ASP HB3 1 34 LEU H 3.400 . 4.900 3.470 3.145 3.618 . 0 0 "[ . 1]" 1
1506 1 33 ASP HB3 1 34 LEU HB2 3.200 . 4.500 2.947 2.011 4.225 . 0 0 "[ . 1]" 1
1507 1 33 ASP HB3 1 36 ILE H 3.300 . 4.700 2.677 2.309 2.846 . 0 0 "[ . 1]" 1
1508 1 33 ASP HB3 1 36 ILE H 2.400 . 3.100 2.105 1.812 2.530 . 0 0 "[ . 1]" 1
1509 1 33 ASP HB3 1 37 ALA HA 2.600 . 3.400 2.671 1.964 3.868 0.468 4 0 "[ . 1]" 1
1510 1 33 ASP HB3 1 36 ILE HB 3.000 . 4.100 3.353 2.232 4.146 0.046 4 0 "[ . 1]" 1
1511 1 33 ASP HB3 1 36 ILE MD 3.100 . 4.300 3.793 3.249 4.275 . 0 0 "[ . 1]" 1
1512 1 33 ASP HB3 1 36 ILE QG 4.000 . 6.000 3.363 1.513 4.598 0.487 6 0 "[ . 1]" 1
1513 1 33 ASP HB3 1 37 ALA H 3.500 . 5.000 3.213 2.691 3.601 . 0 0 "[ . 1]" 1
1514 1 34 LEU H 1 34 LEU HA 2.900 . 4.000 2.939 2.900 2.963 . 0 0 "[ . 1]" 1
1515 1 34 LEU H 1 34 LEU HA 2.200 . 2.800 2.539 2.172 2.838 0.038 1 0 "[ . 1]" 1
1516 1 34 LEU H 1 34 LEU HB2 2.400 . 3.100 2.143 2.023 2.233 . 0 0 "[ . 1]" 1
1517 1 34 LEU H 1 34 LEU QB 2.700 . 3.600 2.124 2.008 2.210 . 0 0 "[ . 1]" 1
1518 1 34 LEU H 1 34 LEU QD 3.500 . 5.100 2.113 1.845 2.384 0.155 9 0 "[ . 1]" 1
1519 1 34 LEU H 1 34 LEU HG 3.300 . 4.600 3.539 3.518 3.587 . 0 0 "[ . 1]" 1
1520 1 34 LEU H 1 35 GLN H 2.900 . 3.900 2.617 2.346 2.827 . 0 0 "[ . 1]" 1
1521 1 34 LEU H 1 37 ALA H 4.000 . 6.000 4.841 4.681 4.989 . 0 0 "[ . 1]" 1
1522 1 34 LEU H 1 37 ALA MB 4.500 . 6.000 4.436 4.271 4.675 . 0 0 "[ . 1]" 1
1523 1 34 LEU HA 1 34 LEU HB2 2.400 . 3.100 2.447 2.417 2.486 . 0 0 "[ . 1]" 1
1524 1 34 LEU HA 1 34 LEU QB 2.300 . 2.900 2.465 2.432 2.509 . 0 0 "[ . 1]" 1
1525 1 34 LEU HA 1 34 LEU QD 2.300 . 2.900 2.329 1.781 2.882 . 0 0 "[ . 1]" 1
1526 1 34 LEU HA 1 34 LEU HG 2.700 . 3.600 2.858 1.981 3.702 0.102 9 0 "[ . 1]" 1
1527 1 34 LEU HA 1 34 LEU HG 2.200 . 2.800 2.344 1.965 2.863 0.063 1 0 "[ . 1]" 1
1528 1 34 LEU HA 1 37 ALA H 3.600 . 5.200 3.950 3.615 4.336 . 0 0 "[ . 1]" 1
1529 1 34 LEU HA 1 38 LEU H 3.100 . 4.300 2.948 2.238 3.640 . 0 0 "[ . 1]" 1
1530 1 34 LEU QB 1 34 LEU QD 3.100 . 3.100 1.943 1.794 2.064 0.106 6 0 "[ . 1]" 1
1531 1 34 LEU QB 1 34 LEU HG 2.300 . 2.900 2.339 2.175 2.523 . 0 0 "[ . 1]" 1
1532 1 34 LEU QB 1 34 LEU HG 2.300 . 3.000 2.068 2.017 2.139 . 0 0 "[ . 1]" 1
1533 1 34 LEU QB 1 35 GLN H 2.000 . 2.500 2.318 2.128 2.587 0.087 1 0 "[ . 1]" 1
1534 1 34 LEU QB 1 35 GLN QE 2.900 . 4.000 5.630 3.042 6.366 2.366 2 9 "[*+ ****-**]" 1
1535 1 34 LEU HB2 1 35 GLN H 3.100 . 4.300 2.415 2.178 2.666 . 0 0 "[ . 1]" 1
1536 1 34 LEU HB2 1 36 ILE H 2.300 . 6.000 4.795 4.261 5.130 . 0 0 "[ . 1]" 1
1537 1 34 LEU HB3 1 37 ALA MB 3.300 . 4.700 3.309 3.162 3.447 . 0 0 "[ . 1]" 1
1538 1 34 LEU QD 1 34 LEU HG 2.100 . 2.600 1.824 1.785 1.855 . 0 0 "[ . 1]" 1
1539 1 34 LEU QD 1 35 GLN H 3.100 . 6.000 3.736 3.648 3.871 . 0 0 "[ . 1]" 1
1540 1 34 LEU MD1 1 34 LEU MD2 2.600 . 3.400 1.853 1.797 1.897 0.003 10 0 "[ . 1]" 1
1541 1 34 LEU QD 1 38 LEU H 2.900 . 6.000 4.337 4.100 4.466 . 0 0 "[ . 1]" 1
1542 1 34 LEU HG 1 35 GLN H 2.400 . 3.100 2.714 2.568 2.840 . 0 0 "[ . 1]" 1
1543 1 35 GLN H 1 35 GLN HA 2.700 . 3.600 2.758 2.713 2.822 . 0 0 "[ . 1]" 1
1544 1 35 GLN H 1 35 GLN HG2 2.800 . 3.800 3.237 2.386 3.514 . 0 0 "[ . 1]" 1
1545 1 35 GLN H 1 37 ALA H 3.600 . 5.200 4.878 4.559 5.119 . 0 0 "[ . 1]" 1
1546 1 35 GLN HA 1 36 ILE H 3.600 . 5.200 3.564 3.535 3.589 . 0 0 "[ . 1]" 1
1547 1 35 GLN HA 1 36 ILE HA 2.500 . 3.300 2.844 2.376 3.214 . 0 0 "[ . 1]" 1
1548 1 35 GLN HA 1 36 ILE HA 2.800 . 3.700 2.837 2.375 3.207 . 0 0 "[ . 1]" 1
1549 1 35 GLN HA 1 38 LEU QB 3.100 . 4.300 2.941 2.504 3.251 . 0 0 "[ . 1]" 1
1550 1 35 GLN HA 1 38 LEU H 3.400 . 4.800 4.337 4.008 4.651 . 0 0 "[ . 1]" 1
1551 1 35 GLN HA 1 39 ALA H 3.900 . 5.800 3.961 3.542 4.488 . 0 0 "[ . 1]" 1
1552 1 35 GLN HB3 1 35 GLN QE 3.600 . 5.300 2.844 1.893 4.017 0.007 6 0 "[ . 1]" 1
1553 1 35 GLN QE 1 35 GLN HG2 3.000 . 4.100 2.842 2.224 3.400 . 0 0 "[ . 1]" 1
1554 1 36 ILE H 1 36 ILE HA 2.400 . 3.100 2.885 2.794 2.945 . 0 0 "[ . 1]" 1
1555 1 36 ILE H 1 36 ILE HB 2.800 . 3.800 2.733 2.579 2.871 . 0 0 "[ . 1]" 1
1556 1 36 ILE H 1 36 ILE MD 4.000 . 6.000 3.378 1.981 4.277 0.019 8 0 "[ . 1]" 1
1557 1 36 ILE H 1 36 ILE QG . . 4.800 2.985 1.612 3.890 0.388 9 0 "[ . 1]" 1
1558 1 36 ILE H 1 36 ILE MG 2.600 . 3.500 2.426 1.577 3.675 0.175 6 0 "[ . 1]" 1
1559 1 36 ILE H 1 37 ALA H 2.600 . 3.500 2.779 2.676 2.889 . 0 0 "[ . 1]" 1
1560 1 36 ILE H 1 38 LEU H 4.300 . 6.000 3.876 3.542 4.120 . 0 0 "[ . 1]" 1
1561 1 36 ILE HA 1 36 ILE HB 2.500 . 3.300 2.629 2.386 2.983 . 0 0 "[ . 1]" 1
1562 1 36 ILE HA 1 36 ILE MD 3.400 . 4.900 3.050 2.013 3.821 . 0 0 "[ . 1]" 1
1563 1 36 ILE HA 1 36 ILE QG 2.200 . 2.800 2.788 2.407 3.307 0.507 8 2 "[ . -+ 1]" 1
1564 1 36 ILE HA 1 36 ILE QG 2.500 . 3.300 2.699 2.379 3.135 . 0 0 "[ . 1]" 1
1565 1 36 ILE HA 1 36 ILE MG 3.300 . 4.700 2.719 2.006 3.192 . 0 0 "[ . 1]" 1
1566 1 36 ILE HA 1 37 ALA MB 2.800 . 3.800 3.585 3.547 3.620 . 0 0 "[ . 1]" 1
1567 1 36 ILE HA 1 37 ALA MB 3.300 . 4.700 3.407 3.275 3.479 . 0 0 "[ . 1]" 1
1568 1 36 ILE HA 1 38 LEU H 3.500 . 5.000 3.990 3.748 4.261 . 0 0 "[ . 1]" 1
1569 1 36 ILE HA 1 39 ALA H 2.400 . 3.100 2.693 2.623 2.742 . 0 0 "[ . 1]" 1
1570 1 36 ILE HA 1 39 ALA MB 2.000 . 2.500 2.048 2.012 2.079 . 0 0 "[ . 1]" 1
1571 1 36 ILE HB 1 36 ILE MD 2.400 . 3.100 2.108 1.908 2.308 . 0 0 "[ . 1]" 1
1572 1 36 ILE HB 1 36 ILE QG 2.300 . 3.000 2.326 2.165 2.489 . 0 0 "[ . 1]" 1
1573 1 36 ILE HB 1 37 ALA H 3.400 . 4.900 2.853 1.662 3.653 0.238 9 0 "[ . 1]" 1
1574 1 36 ILE MD 1 36 ILE QG 2.000 . 2.500 1.897 1.882 1.916 . 0 0 "[ . 1]" 1
1575 1 36 ILE MD 1 36 ILE QG 1.600 . 2.200 1.763 1.716 1.803 . 0 0 "[ . 1]" 1
1576 1 36 ILE MD 1 36 ILE MG 2.900 . 4.000 2.189 1.987 2.482 . 0 0 "[ . 1]" 1
1577 1 36 ILE MD 1 37 ALA H 6.000 . 6.000 3.922 3.698 4.096 . 0 0 "[ . 1]" 1
1578 1 36 ILE QG 1 37 ALA H 3.900 . 3.900 2.817 2.741 2.926 . 0 0 "[ . 1]" 1
1579 1 36 ILE QG 1 39 ALA MB 3.500 . 5.100 3.462 3.081 3.708 . 0 0 "[ . 1]" 1
1580 1 36 ILE QG 1 39 ALA H 3.400 . 4.900 5.154 4.460 5.600 0.700 8 3 "[ . -+*1]" 1
1581 1 36 ILE QG 1 40 SER H 3.100 . 4.300 5.340 4.140 6.730 2.430 7 4 "[ .-+**1]" 1
1582 1 36 ILE MG 1 37 ALA H 2.800 . 3.700 2.284 1.589 3.306 0.311 5 0 "[ . 1]" 1
1583 1 36 ILE MG 1 39 ALA H 3.400 . 6.000 4.808 4.664 5.090 . 0 0 "[ . 1]" 1
1584 1 36 ILE MG 1 40 SER H 3.400 . 6.000 5.214 4.713 5.582 . 0 0 "[ . 1]" 1
1585 1 37 ALA H 1 37 ALA MB 2.300 . 3.000 2.077 1.976 2.151 . 0 0 "[ . 1]" 1
1586 1 37 ALA H 1 38 LEU H 2.700 . 3.600 2.870 2.840 2.906 . 0 0 "[ . 1]" 1
1587 1 37 ALA H 1 38 LEU HG 3.000 . 6.000 5.651 4.694 6.346 0.346 3 0 "[ . 1]" 1
1588 1 37 ALA H 1 39 ALA H 4.300 . 6.000 4.396 4.207 4.621 . 0 0 "[ . 1]" 1
1589 1 37 ALA HA 1 37 ALA MB 2.200 . 2.800 2.146 2.130 2.158 . 0 0 "[ . 1]" 1
1590 1 37 ALA HA 1 40 SER HA 3.600 . 5.200 5.581 5.174 6.083 0.883 5 2 "[ + -1]" 1
1591 1 37 ALA HA 1 40 SER HA 2.500 . 3.300 2.860 2.379 3.257 . 0 0 "[ . 1]" 1
1592 1 37 ALA HA 1 40 SER QB 2.200 . 2.800 2.869 2.383 3.270 0.470 5 0 "[ . 1]" 1
1593 1 37 ALA MB 1 40 SER H 4.500 . 6.000 4.052 3.853 4.411 . 0 0 "[ . 1]" 1
1594 1 37 ALA MB 1 40 SER QB 3.500 . 5.000 4.017 3.704 4.444 . 0 0 "[ . 1]" 1
1595 1 38 LEU H 1 38 LEU HA 2.800 . 3.800 2.848 2.829 2.869 . 0 0 "[ . 1]" 1
1596 1 38 LEU H 1 38 LEU QB 2.400 . 3.100 2.034 1.916 2.226 . 0 0 "[ . 1]" 1
1597 1 38 LEU H 1 38 LEU MD1 4.000 . 6.000 3.840 3.449 4.184 . 0 0 "[ . 1]" 1
1598 1 38 LEU H 1 38 LEU MD2 3.900 . 5.800 3.829 3.569 4.036 . 0 0 "[ . 1]" 1
1599 1 38 LEU H 1 38 LEU HG 2.500 . 3.300 3.043 2.305 3.558 0.258 3 0 "[ . 1]" 1
1600 1 38 LEU H 1 39 ALA H 2.800 . 3.800 2.782 2.681 2.824 . 0 0 "[ . 1]" 1
1601 1 38 LEU H 1 39 ALA MB 4.200 . 6.000 4.215 4.109 4.304 . 0 0 "[ . 1]" 1
1602 1 38 LEU H 1 40 SER H 3.900 . 5.800 4.134 3.907 4.684 . 0 0 "[ . 1]" 1
1603 1 38 LEU HA 1 38 LEU QB 2.600 . 3.400 2.512 2.447 2.550 . 0 0 "[ . 1]" 1
1604 1 38 LEU HA 1 38 LEU MD1 3.600 . 5.200 3.717 3.660 3.781 . 0 0 "[ . 1]" 1
1605 1 38 LEU HA 1 38 LEU MD2 2.500 . 3.300 1.885 1.783 2.065 . 0 0 "[ . 1]" 1
1606 1 38 LEU HA 1 38 LEU HG 2.400 . 3.100 2.659 2.494 2.789 . 0 0 "[ . 1]" 1
1607 1 38 LEU HA 1 39 ALA H 2.700 . 3.600 3.580 3.572 3.596 . 0 0 "[ . 1]" 1
1608 1 38 LEU HA 1 41 PHE H 3.100 . 4.300 3.521 3.463 3.565 . 0 0 "[ . 1]" 1
1609 1 38 LEU HA 1 41 PHE H 2.600 . 3.400 3.333 3.204 3.391 . 0 0 "[ . 1]" 1
1610 1 38 LEU HA 1 41 PHE QB 2.400 . 3.100 2.624 2.340 2.929 . 0 0 "[ . 1]" 1
1611 1 38 LEU HA 1 41 PHE QD 3.600 . 5.200 4.411 4.073 4.809 . 0 0 "[ . 1]" 1
1612 1 38 LEU HA 1 42 TYR H 4.000 . 6.000 4.167 3.697 4.577 . 0 0 "[ . 1]" 1
1613 1 38 LEU QB 1 38 LEU MD1 2.900 . 3.300 2.041 1.983 2.094 . 0 0 "[ . 1]" 1
1614 1 38 LEU QB 1 38 LEU MD2 2.400 . 3.100 2.317 2.200 2.422 . 0 0 "[ . 1]" 1
1615 1 38 LEU QB 1 38 LEU HG 2.400 . 3.100 2.317 2.247 2.384 . 0 0 "[ . 1]" 1
1616 1 38 LEU QB 1 39 ALA H 2.800 . 3.800 2.405 2.323 2.534 . 0 0 "[ . 1]" 1
1617 1 38 LEU QB 1 40 SER H 6.000 . 6.000 4.484 4.266 4.907 . 0 0 "[ . 1]" 1
1618 1 38 LEU QB 1 42 TYR QE 2.800 . 3.800 4.082 2.888 5.162 1.362 5 3 "[ * +- 1]" 1
1619 1 38 LEU MD1 1 38 LEU MD2 2.800 . 3.800 1.924 1.850 2.078 . 0 0 "[ . 1]" 1
1620 1 38 LEU MD1 1 38 LEU HG 2.200 . 2.800 2.124 2.112 2.147 . 0 0 "[ . 1]" 1
1621 1 38 LEU MD1 1 39 ALA H 3.200 . 6.000 4.336 4.279 4.414 . 0 0 "[ . 1]" 1
1622 1 38 LEU MD2 1 38 LEU HG 2.300 . 3.000 2.122 2.110 2.152 . 0 0 "[ . 1]" 1
1623 1 38 LEU MD2 1 39 ALA H 3.700 . 5.400 4.215 3.865 4.536 . 0 0 "[ . 1]" 1
1624 1 38 LEU MD2 1 42 TYR QE 2.700 . 3.600 2.383 1.764 3.060 0.036 7 0 "[ . 1]" 1
1625 1 38 LEU HG 1 39 ALA H 3.700 . 5.400 4.722 4.383 5.005 . 0 0 "[ . 1]" 1
1626 1 39 ALA H 1 39 ALA HA 2.900 . 3.900 2.788 2.764 2.814 . 0 0 "[ . 1]" 1
1627 1 39 ALA H 1 39 ALA MB 2.400 . 3.100 2.131 2.056 2.175 . 0 0 "[ . 1]" 1
1628 1 39 ALA H 1 40 SER H 2.800 . 3.800 2.875 2.723 3.142 . 0 0 "[ . 1]" 1
1629 1 39 ALA H 1 40 SER HA 3.800 . 5.600 5.483 5.352 5.674 0.074 5 0 "[ . 1]" 1
1630 1 39 ALA HA 1 39 ALA MB 2.300 . 3.000 2.150 2.137 2.159 . 0 0 "[ . 1]" 1
1631 1 39 ALA HA 1 41 PHE H 3.000 . 4.200 3.516 3.496 3.536 . 0 0 "[ . 1]" 1
1632 1 39 ALA HA 1 41 PHE QB 2.900 . 4.000 3.621 3.580 3.681 . 0 0 "[ . 1]" 1
1633 1 39 ALA HA 1 42 TYR QB 2.500 . 3.300 2.302 2.243 2.398 . 0 0 "[ . 1]" 1
1634 1 39 ALA HA 1 42 TYR QB 3.500 . 5.000 2.290 2.231 2.379 . 0 0 "[ . 1]" 1
1635 1 39 ALA HA 1 42 TYR QD 3.100 . 4.300 2.561 1.990 3.044 . 0 0 "[ . 1]" 1
1636 1 39 ALA HA 1 42 TYR QE 3.200 . 4.500 4.295 4.003 4.496 . 0 0 "[ . 1]" 1
1637 1 39 ALA MB 1 40 SER H 2.800 . 6.000 2.521 2.203 2.692 . 0 0 "[ . 1]" 1
1638 1 39 ALA MB 1 41 PHE H 4.600 . 6.000 4.891 4.491 5.126 . 0 0 "[ . 1]" 1
1639 1 39 ALA MB 1 42 TYR H 4.500 . 6.000 4.886 4.624 5.030 . 0 0 "[ . 1]" 1
1640 1 39 ALA MB 1 42 TYR QD 3.900 . 5.800 5.232 4.530 5.855 0.055 5 0 "[ . 1]" 1
1641 1 40 SER H 1 40 SER HA 2.500 . 3.300 2.846 2.801 2.880 . 0 0 "[ . 1]" 1
1642 1 40 SER H 1 40 SER QB 2.700 . 3.600 2.117 1.929 2.658 . 0 0 "[ . 1]" 1
1643 1 40 SER H 1 41 PHE H 2.800 . 3.800 2.948 2.869 3.032 . 0 0 "[ . 1]" 1
1644 1 40 SER H 1 41 PHE QB . . 4.900 4.128 4.065 4.255 . 0 0 "[ . 1]" 1
1645 1 40 SER H 1 42 TYR H 3.500 . 5.000 3.829 3.587 4.103 . 0 0 "[ . 1]" 1
1646 1 40 SER HA 1 40 SER QB 2.400 . 2.600 2.467 2.283 2.546 . 0 0 "[ . 1]" 1
1647 1 40 SER HA 1 41 PHE H 3.000 . 4.100 3.586 3.579 3.592 . 0 0 "[ . 1]" 1
1648 1 40 SER HA 1 43 GLU H 3.300 . 4.600 3.479 3.010 3.546 . 0 0 "[ . 1]" 1
1649 1 40 SER HA 1 44 ASP QB 3.100 . 4.300 3.875 3.015 4.633 0.333 9 0 "[ . 1]" 1
1650 1 40 SER HA 1 44 ASP H 3.700 . 5.400 4.731 3.968 5.061 . 0 0 "[ . 1]" 1
1651 1 40 SER HA 1 44 ASP HA 3.000 . 4.200 4.819 3.236 7.576 3.376 9 4 "[ - * *+1]" 1
1652 1 40 SER HA 1 44 ASP QB 3.300 . 4.700 4.848 3.046 6.492 1.792 9 4 "[ *- *+1]" 1
1653 1 40 SER QB 1 41 PHE H 3.100 . 4.300 2.146 1.860 2.352 0.040 7 0 "[ . 1]" 1
1654 1 40 SER QB 1 41 PHE H 3.000 . 4.100 1.968 1.759 2.084 0.141 7 0 "[ . 1]" 1
1655 1 40 SER QB 1 41 PHE H 3.100 . 4.300 2.143 1.860 2.345 0.040 7 0 "[ . 1]" 1
1656 1 40 SER QB 1 44 ASP HA 3.400 . 4.900 4.370 4.035 4.723 . 0 0 "[ . 1]" 1
1657 1 41 PHE H 1 41 PHE HA 2.800 . 3.800 2.712 2.679 2.757 . 0 0 "[ . 1]" 1
1658 1 41 PHE H 1 41 PHE QB 2.500 . 3.300 1.796 1.782 1.814 0.018 3 0 "[ . 1]" 1
1659 1 41 PHE H 1 41 PHE QB 2.400 . 3.100 1.741 1.698 1.768 0.002 5 0 "[ . 1]" 1
1660 1 41 PHE H 1 41 PHE QD 3.200 . 4.500 2.726 2.658 2.836 . 0 0 "[ . 1]" 1
1661 1 41 PHE H 1 42 TYR H 2.500 . 3.300 3.024 2.897 3.146 . 0 0 "[ . 1]" 1
1662 1 41 PHE HA 1 41 PHE QB 2.100 . 2.700 2.528 2.517 2.532 . 0 0 "[ . 1]" 1
1663 1 41 PHE HA 1 41 PHE QD 2.300 . 2.900 2.479 2.137 2.764 . 0 0 "[ . 1]" 1
1664 1 41 PHE HA 1 42 TYR H 6.000 . 6.000 3.572 3.540 3.582 . 0 0 "[ . 1]" 1
1665 1 41 PHE HA 1 44 ASP H 4.000 . 6.000 6.157 3.964 7.972 1.972 8 6 "[ * ***+-1]" 1
1666 1 41 PHE HA 1 44 ASP QB 3.000 . 4.100 5.506 2.437 8.291 4.191 8 6 "[ * **-+*1]" 1
1667 1 41 PHE QB 1 41 PHE QD 2.400 . 3.100 2.166 2.151 2.179 . 0 0 "[ . 1]" 1
1668 1 41 PHE QB 1 42 TYR H 3.100 . 4.300 2.360 2.104 2.530 . 0 0 "[ . 1]" 1
1669 1 41 PHE QD 1 42 TYR H 3.700 . 6.000 4.330 4.141 4.462 . 0 0 "[ . 1]" 1
1670 1 41 PHE QD 1 42 TYR QE 2.900 . 3.900 2.949 2.345 4.070 0.170 3 0 "[ . 1]" 1
1671 1 42 TYR H 1 42 TYR HA 2.900 . 3.900 2.891 2.860 2.929 . 0 0 "[ . 1]" 1
1672 1 42 TYR H 1 42 TYR HA 2.300 . 2.900 2.229 2.093 2.358 . 0 0 "[ . 1]" 1
1673 1 42 TYR H 1 42 TYR QB 2.800 . 3.800 2.267 2.113 2.449 . 0 0 "[ . 1]" 1
1674 1 42 TYR H 1 42 TYR QB 3.200 . 4.500 1.902 1.860 1.963 0.040 9 0 "[ . 1]" 1
1675 1 42 TYR H 1 42 TYR QD 2.600 . 3.400 2.046 1.636 2.538 0.164 8 0 "[ . 1]" 1
1676 1 42 TYR H 1 42 TYR QE 4.800 . 6.000 4.112 3.903 4.317 . 0 0 "[ . 1]" 1
1677 1 42 TYR H 1 43 GLU HB2 5.100 . 6.000 4.850 4.507 5.382 . 0 0 "[ . 1]" 1
1678 1 42 TYR HA 1 42 TYR QB 2.300 . 2.900 2.397 2.332 2.463 . 0 0 "[ . 1]" 1
1679 1 42 TYR HA 1 46 GLY QA 3.600 . 5.200 5.156 4.194 6.799 1.599 8 2 "[ .- + 1]" 1
1680 1 42 TYR HA 1 46 GLY H 3.800 . 5.600 7.827 5.967 9.559 3.959 9 9 [**-*.***+*] 1
1681 1 42 TYR QB 1 42 TYR QD 2.200 . 2.800 2.247 2.160 2.360 . 0 0 "[ . 1]" 1
1682 1 42 TYR QB 1 43 GLU H 4.000 . 6.000 2.456 2.257 2.689 . 0 0 "[ . 1]" 1
1683 1 42 TYR QB 1 43 GLU QG 3.000 . 4.100 2.845 2.209 5.043 0.943 9 1 "[ . +1]" 1
1684 1 42 TYR QD 1 43 GLU QB 3.700 . 5.400 5.704 5.402 5.900 0.500 3 1 "[ + . 1]" 1
1685 1 43 GLU H 1 43 GLU HA 2.700 . 3.600 2.864 2.359 2.971 . 0 0 "[ . 1]" 1
1686 1 43 GLU H 1 43 GLU HB2 2.500 . 3.300 2.569 2.267 2.954 . 0 0 "[ . 1]" 1
1687 1 43 GLU H 1 43 GLU HG2 3.400 . 4.800 2.423 2.012 3.135 . 0 0 "[ . 1]" 1
1688 1 43 GLU HA 1 43 GLU QG 2.700 . 3.600 2.612 2.072 3.089 . 0 0 "[ . 1]" 1
1689 1 43 GLU HA 1 44 ASP H 2.900 . 3.900 2.700 2.247 3.065 . 0 0 "[ . 1]" 1
1690 1 43 GLU HA 1 44 ASP HA 3.500 . 5.100 4.566 4.381 4.792 . 0 0 "[ . 1]" 1
1691 1 43 GLU HA 1 45 GLY H 2.600 . 3.500 3.460 3.118 3.715 0.215 5 0 "[ . 1]" 1
1692 1 43 GLU HA 1 45 GLY QA 3.200 . 4.500 5.295 4.811 5.584 1.084 7 8 "[ * ***+*-*]" 1
1693 1 43 GLU HB2 1 43 GLU HG2 1.800 . 2.200 2.117 2.071 2.272 0.072 6 0 "[ . 1]" 1
1694 1 43 GLU HB2 1 44 ASP H 3.200 . 4.400 3.601 3.513 3.733 . 0 0 "[ . 1]" 1
1695 1 43 GLU HG2 1 44 ASP H 3.100 . 6.000 4.594 4.273 5.034 . 0 0 "[ . 1]" 1
1696 1 44 ASP H 1 44 ASP QB 3.100 . 3.400 2.220 2.130 2.431 . 0 0 "[ . 1]" 1
1697 1 44 ASP H 1 46 GLY H 3.500 . 5.000 4.822 3.394 5.849 0.849 9 1 "[ . +1]" 1
1698 1 44 ASP HA 1 45 GLY H 3.100 . 4.300 3.256 2.958 3.496 . 0 0 "[ . 1]" 1
1699 1 44 ASP HA 1 45 GLY QA 3.400 . 4.900 4.192 4.096 4.322 . 0 0 "[ . 1]" 1
1700 1 44 ASP QB 1 45 GLY H 4.100 . 5.400 3.365 2.855 3.796 . 0 0 "[ . 1]" 1
1701 1 44 ASP QB 1 45 GLY QA 3.400 . 4.800 4.111 4.007 4.299 . 0 0 "[ . 1]" 1
1702 1 44 ASP QB 1 46 GLY H 4.500 . 5.600 5.342 4.249 5.990 0.390 9 0 "[ . 1]" 1
1703 1 45 GLY H 1 45 GLY HA2 2.100 . 2.700 2.683 2.428 2.950 0.250 5 0 "[ . 1]" 1
1704 1 45 GLY H 1 45 GLY QA 2.500 . 3.300 2.445 2.320 2.532 . 0 0 "[ . 1]" 1
1705 1 45 GLY H 1 45 GLY QA 2.400 . 3.100 2.188 2.105 2.265 . 0 0 "[ . 1]" 1
1706 1 45 GLY H 1 46 GLY H 2.200 . 2.800 2.662 2.188 2.840 0.040 5 0 "[ . 1]" 1
1707 1 45 GLY QA 1 46 GLY H 3.500 . 5.000 2.490 2.356 2.746 . 0 0 "[ . 1]" 1
1708 1 45 GLY QA 1 46 GLY QA 3.600 . 5.200 3.749 3.659 3.865 . 0 0 "[ . 1]" 1
1709 1 45 GLY HA2 1 46 GLY H 3.100 . 4.300 2.546 2.391 2.871 . 0 0 "[ . 1]" 1
1710 1 46 GLY H 1 46 GLY QA 2.600 . 3.300 2.323 2.235 2.526 . 0 0 "[ . 1]" 1
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