NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
434181 |
2jwg   |
15753 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jwg
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 884
_Distance_constraint_stats_list.Viol_count 1667
_Distance_constraint_stats_list.Viol_total 5442.234
_Distance_constraint_stats_list.Viol_max 0.918
_Distance_constraint_stats_list.Viol_rms 0.0364
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0050
_Distance_constraint_stats_list.Viol_average_violations_only 0.0933
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 LYS 4.853 0.328 14 0 "[ . 1 . 2 . 3 .]"
1 3 SER 2.277 0.509 31 1 "[ . 1 . 2 . 3+ .]"
1 4 PRO 5.838 0.865 26 2 "[ . 1 - . 2 .+ 3 .]"
1 5 GLU 8.738 0.587 11 1 "[ . 1+ . 2 . 3 .]"
1 6 ALA 3.666 0.509 31 1 "[ . 1 . 2 . 3+ .]"
1 7 GLU 2.154 0.151 35 0 "[ . 1 . 2 . 3 .]"
1 8 CYS 6.468 0.197 19 0 "[ . 1 . 2 . 3 .]"
1 9 ASN 9.522 0.587 11 6 "[** . - 1+ . 2 *. 3 *]"
1 10 LYS 21.439 0.837 24 13 "[** .*- * * .* 2* +. ** 3 * *]"
1 11 ILE 11.015 0.865 26 4 "[ . 1*- * 2 .+ 3 .]"
1 12 THR 1.880 0.123 23 0 "[ . 1 . 2 . 3 .]"
1 13 GLU 1.325 0.123 23 0 "[ . 1 . 2 . 3 .]"
1 14 GLU 19.011 0.305 33 0 "[ . 1 . 2 . 3 .]"
1 15 PRO 14.339 0.587 11 1 "[ . 1+ . 2 . 3 .]"
1 16 LYS 10.486 0.865 26 2 "[ . 1 - . 2 .+ 3 .]"
1 17 CYS 2.980 0.328 14 0 "[ . 1 . 2 . 3 .]"
1 18 SER 6.178 0.284 11 0 "[ . 1 . 2 . 3 .]"
1 19 GLU 0.099 0.099 3 0 "[ . 1 . 2 . 3 .]"
1 20 GLU 4.391 0.787 15 1 "[ . 1 + 2 . 3 .]"
1 21 LYS 4.449 0.275 33 0 "[ . 1 . 2 . 3 .]"
1 22 ILE 11.854 0.865 26 2 "[ . 1 - . 2 .+ 3 .]"
1 23 CYS 8.486 0.802 16 4 "[ . - * .+ 2 . * 3 .]"
1 24 SER 10.918 0.806 29 5 "[ . 1 . *- * * +3 .]"
1 25 TRP 6.600 0.587 11 1 "[ . 1+ . 2 . 3 .]"
1 26 HIS 9.702 0.295 29 0 "[ . 1 . 2 . 3 .]"
1 27 LYS 7.299 0.284 11 0 "[ . 1 . 2 . 3 .]"
1 28 GLU 3.661 0.460 29 0 "[ . 1 . 2 . 3 .]"
1 29 VAL 5.295 0.338 20 0 "[ . 1 . 2 . 3 .]"
1 30 LYS 11.772 0.918 34 1 "[ . 1 . 2 . 3 +.]"
1 31 ALA 5.234 0.299 18 0 "[ . 1 . 2 . 3 .]"
1 32 GLY 0.468 0.152 20 0 "[ . 1 . 2 . 3 .]"
1 33 GLU 6.213 0.918 34 1 "[ . 1 . 2 . 3 +.]"
1 34 LYS 13.244 0.587 11 1 "[ . 1+ . 2 . 3 .]"
1 35 ASN 11.731 0.263 11 0 "[ . 1 . 2 . 3 .]"
1 36 CYS 1.226 0.115 3 0 "[ . 1 . 2 . 3 .]"
1 37 GLN 9.628 0.802 16 4 "[ . * - .+ 2 . * 3 .]"
1 38 PHE 18.449 0.524 10 1 "[ . + . 2 . 3 .]"
1 39 ASN 20.406 0.806 29 6 "[ . 1 . ** * - +3 * .]"
1 40 SER 2.257 0.146 30 0 "[ . 1 . 2 . 3 .]"
1 41 THR 1.549 0.149 33 0 "[ . 1 . 2 . 3 .]"
1 42 LYS 19.894 0.865 26 5 "[ . 1 - . 2 * *+ 3 * .]"
1 43 ALA 5.441 0.386 19 0 "[ . 1 . 2 . 3 .]"
1 44 SER 0.432 0.151 32 0 "[ . 1 . 2 . 3 .]"
1 45 LYS 11.852 0.328 14 0 "[ . 1 . 2 . 3 .]"
1 46 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 LYS HA 1 2 LYS HB2 2.400 . 3.100 2.768 2.409 3.029 . 0 0 "[ . 1 . 2 . 3 .]" 1
2 1 2 LYS HA 1 2 LYS HB2 3.400 . 4.900 2.425 1.906 2.931 . 0 0 "[ . 1 . 2 . 3 .]" 1
3 1 2 LYS HA 1 2 LYS HB2 3.000 . 4.100 2.403 1.894 2.908 0.006 8 0 "[ . 1 . 2 . 3 .]" 1
4 1 2 LYS HA 1 2 LYS HB2 3.600 . 5.200 2.600 1.902 3.003 0.098 13 0 "[ . 1 . 2 . 3 .]" 1
5 1 2 LYS HA 1 2 LYS HB3 3.200 . 4.500 2.290 2.141 2.523 . 0 0 "[ . 1 . 2 . 3 .]" 1
6 1 2 LYS HA 1 2 LYS HB3 3.300 . 4.600 2.112 2.015 2.313 . 0 0 "[ . 1 . 2 . 3 .]" 1
7 1 2 LYS HA 1 2 LYS QD 3.600 . 5.200 2.268 1.855 2.501 0.145 8 0 "[ . 1 . 2 . 3 .]" 1
8 1 2 LYS HA 1 2 LYS QD 3.100 . 4.300 3.002 1.914 3.769 . 0 0 "[ . 1 . 2 . 3 .]" 1
9 1 2 LYS HA 1 2 LYS QD 2.500 . 3.300 2.341 1.900 2.522 . 0 0 "[ . 1 . 2 . 3 .]" 1
10 1 2 LYS HA 1 2 LYS QG 3.000 . 4.100 2.259 2.083 2.770 . 0 0 "[ . 1 . 2 . 3 .]" 1
11 1 2 LYS HA 1 2 LYS QG 3.400 . 4.800 2.355 2.089 3.087 . 0 0 "[ . 1 . 2 . 3 .]" 1
12 1 2 LYS HA 1 2 LYS QG 3.100 . 4.300 2.182 1.967 2.634 . 0 0 "[ . 1 . 2 . 3 .]" 1
13 1 2 LYS HA 1 2 LYS QG 3.600 . 5.200 2.256 2.000 2.743 . 0 0 "[ . 1 . 2 . 3 .]" 1
14 1 2 LYS HA 1 3 SER H 2.700 . 3.600 2.842 2.118 3.576 . 0 0 "[ . 1 . 2 . 3 .]" 1
15 1 2 LYS HB3 1 2 LYS QE 4.200 . 6.000 2.241 1.672 2.953 0.328 14 0 "[ . 1 . 2 . 3 .]" 1
16 1 2 LYS HB3 1 2 LYS QE 3.600 . 5.200 2.275 1.675 3.107 0.325 14 0 "[ . 1 . 2 . 3 .]" 1
17 1 2 LYS HB3 1 2 LYS QE 3.500 . 5.100 2.331 1.675 3.145 0.225 14 0 "[ . 1 . 2 . 3 .]" 1
18 1 2 LYS QE 1 2 LYS QG 2.700 . 3.600 1.924 1.822 2.108 . 0 0 "[ . 1 . 2 . 3 .]" 1
19 1 2 LYS QG 1 3 SER H 4.300 . 6.000 3.349 2.330 4.291 . 0 0 "[ . 1 . 2 . 3 .]" 1
20 1 2 LYS QG 1 3 SER H 4.000 . 6.000 3.260 2.326 4.032 . 0 0 "[ . 1 . 2 . 3 .]" 1
21 1 3 SER H 1 3 SER HB2 3.600 . 5.200 3.053 2.462 4.002 . 0 0 "[ . 1 . 2 . 3 .]" 1
22 1 3 SER H 1 3 SER HB3 3.400 . 4.800 3.423 2.347 4.033 . 0 0 "[ . 1 . 2 . 3 .]" 1
23 1 3 SER QB 1 6 ALA MB 2.700 . 3.600 2.270 1.797 3.609 0.009 32 0 "[ . 1 . 2 . 3 .]" 1
24 1 3 SER QB 1 6 ALA MB 2.600 . 3.400 2.248 1.793 3.551 0.151 32 0 "[ . 1 . 2 . 3 .]" 1
25 1 3 SER HB2 1 6 ALA H 2.500 . 3.300 2.863 2.468 3.259 . 0 0 "[ . 1 . 2 . 3 .]" 1
26 1 3 SER HB3 1 6 ALA H 2.700 . 3.600 2.935 2.473 3.444 . 0 0 "[ . 1 . 2 . 3 .]" 1
27 1 3 SER HB3 1 6 ALA MB 2.800 . 3.800 2.897 1.804 4.309 0.509 31 1 "[ . 1 . 2 . 3+ .]" 1
28 1 4 PRO HA 1 4 PRO HB3 2.000 . 2.500 2.277 2.256 2.301 . 0 0 "[ . 1 . 2 . 3 .]" 1
29 1 4 PRO HA 1 4 PRO HG2 3.500 . 5.000 3.904 3.856 4.038 . 0 0 "[ . 1 . 2 . 3 .]" 1
30 1 4 PRO HA 1 4 PRO HG3 3.800 . 5.600 3.628 2.942 4.020 . 0 0 "[ . 1 . 2 . 3 .]" 1
31 1 4 PRO HA 1 5 GLU H 2.700 . 3.600 3.541 3.487 3.574 . 0 0 "[ . 1 . 2 . 3 .]" 1
32 1 4 PRO HA 1 6 ALA H 3.800 . 5.600 4.559 4.276 4.808 . 0 0 "[ . 1 . 2 . 3 .]" 1
33 1 4 PRO HA 1 6 ALA MB 3.800 . 5.600 5.023 4.665 5.274 . 0 0 "[ . 1 . 2 . 3 .]" 1
34 1 4 PRO HA 1 7 GLU H 3.000 . 4.100 3.411 3.100 3.752 . 0 0 "[ . 1 . 2 . 3 .]" 1
35 1 4 PRO HA 1 7 GLU QB 2.500 . 3.300 2.751 2.049 3.430 0.130 32 0 "[ . 1 . 2 . 3 .]" 1
36 1 4 PRO HA 1 7 GLU QG 2.900 . 3.900 2.663 1.836 3.461 0.064 3 0 "[ . 1 . 2 . 3 .]" 1
37 1 4 PRO HA 1 38 PHE QR 3.700 . 5.400 4.208 4.000 4.501 . 0 0 "[ . 1 . 2 . 3 .]" 1
38 1 4 PRO HB2 1 4 PRO HD2 3.600 . 5.200 3.653 2.942 4.054 . 0 0 "[ . 1 . 2 . 3 .]" 1
39 1 4 PRO HB2 1 4 PRO QD 4.000 . 6.000 3.298 2.857 3.546 . 0 0 "[ . 1 . 2 . 3 .]" 1
40 1 4 PRO HB2 1 4 PRO HD3 4.000 . 6.000 3.895 3.875 3.992 . 0 0 "[ . 1 . 2 . 3 .]" 1
41 1 4 PRO HB2 1 4 PRO HG3 3.000 . 4.100 2.797 2.668 3.000 . 0 0 "[ . 1 . 2 . 3 .]" 1
42 1 4 PRO HB2 1 5 GLU H 2.500 . 3.300 2.996 2.495 3.318 0.018 32 0 "[ . 1 . 2 . 3 .]" 1
43 1 4 PRO HB2 1 8 CYS H 3.700 . 5.400 4.159 3.534 4.621 . 0 0 "[ . 1 . 2 . 3 .]" 1
44 1 4 PRO HB2 1 38 PHE HB3 3.700 . 5.400 4.728 3.738 5.438 0.038 25 0 "[ . 1 . 2 . 3 .]" 1
45 1 4 PRO HB2 1 38 PHE QD 2.200 . 2.800 2.726 2.244 2.965 0.165 34 0 "[ . 1 . 2 . 3 .]" 1
46 1 4 PRO HB2 1 38 PHE QR 3.300 . 4.700 2.432 2.128 2.786 . 0 0 "[ . 1 . 2 . 3 .]" 1
47 1 4 PRO HB3 1 38 PHE QD 2.600 . 3.400 2.529 1.744 2.988 0.056 8 0 "[ . 1 . 2 . 3 .]" 1
48 1 4 PRO HB3 1 4 PRO HD3 3.400 . 4.900 3.373 2.944 4.052 . 0 0 "[ . 1 . 2 . 3 .]" 1
49 1 4 PRO HB3 1 38 PHE HB3 3.500 . 5.100 2.681 1.935 3.311 . 0 0 "[ . 1 . 2 . 3 .]" 1
50 1 4 PRO HB3 1 22 ILE HG12 3.200 . 4.500 3.863 3.321 4.198 . 0 0 "[ . 1 . 2 . 3 .]" 1
51 1 4 PRO HB3 1 22 ILE QG 3.000 . 4.100 3.820 3.307 4.172 0.072 28 0 "[ . 1 . 2 . 3 .]" 1
52 1 4 PRO HB3 1 38 PHE QB 3.000 . 4.200 2.110 1.723 3.197 0.077 15 0 "[ . 1 . 2 . 3 .]" 1
53 1 4 PRO HB3 1 38 PHE QR 3.000 . 4.100 2.611 1.746 3.143 0.154 8 0 "[ . 1 . 2 . 3 .]" 1
54 1 4 PRO HD2 1 4 PRO HG2 2.300 . 3.000 2.310 2.271 2.321 . 0 0 "[ . 1 . 2 . 3 .]" 1
55 1 4 PRO HD2 1 4 PRO HG3 2.900 . 3.900 2.798 2.673 2.997 . 0 0 "[ . 1 . 2 . 3 .]" 1
56 1 4 PRO HD2 1 5 GLU H 2.500 . 3.300 2.870 2.253 3.217 . 0 0 "[ . 1 . 2 . 3 .]" 1
57 1 4 PRO HD2 1 5 GLU HA 4.100 . 6.000 4.330 4.123 4.986 . 0 0 "[ . 1 . 2 . 3 .]" 1
58 1 4 PRO HD2 1 38 PHE QD 4.100 . 6.000 5.410 4.465 6.039 0.039 22 0 "[ . 1 . 2 . 3 .]" 1
59 1 4 PRO HD3 1 4 PRO HG2 2.700 . 3.600 2.881 2.672 2.998 . 0 0 "[ . 1 . 2 . 3 .]" 1
60 1 4 PRO HD3 1 4 PRO HG3 2.500 . 3.300 2.311 2.271 2.326 . 0 0 "[ . 1 . 2 . 3 .]" 1
61 1 4 PRO HD3 1 5 GLU H 3.900 . 5.800 4.005 3.647 4.221 . 0 0 "[ . 1 . 2 . 3 .]" 1
62 1 4 PRO HG2 1 22 ILE HG12 2.800 . 3.800 3.498 2.428 4.665 0.865 26 2 "[ . 1 - . 2 .+ 3 .]" 1
63 1 4 PRO HG2 1 38 PHE QD 3.200 . 4.500 4.042 3.077 4.537 0.037 30 0 "[ . 1 . 2 . 3 .]" 1
64 1 4 PRO HG2 1 38 PHE QR 3.700 . 5.400 3.177 2.641 3.624 . 0 0 "[ . 1 . 2 . 3 .]" 1
65 1 4 PRO HG3 1 5 GLU H 3.600 . 5.200 4.204 3.773 4.675 . 0 0 "[ . 1 . 2 . 3 .]" 1
66 1 4 PRO HG3 1 6 ALA H 3.600 . 5.200 2.737 1.727 3.601 0.273 33 0 "[ . 1 . 2 . 3 .]" 1
67 1 5 GLU H 1 5 GLU HA 2.300 . 2.900 2.826 2.794 2.886 . 0 0 "[ . 1 . 2 . 3 .]" 1
68 1 5 GLU H 1 5 GLU HB2 2.200 . 2.800 2.532 2.404 2.729 . 0 0 "[ . 1 . 2 . 3 .]" 1
69 1 5 GLU H 1 5 GLU HB3 2.300 . 3.000 2.540 2.329 2.735 . 0 0 "[ . 1 . 2 . 3 .]" 1
70 1 5 GLU H 1 5 GLU HG2 4.100 . 6.000 4.490 4.367 4.634 . 0 0 "[ . 1 . 2 . 3 .]" 1
71 1 5 GLU H 1 5 GLU HG2 4.000 . 6.000 3.698 3.263 4.181 . 0 0 "[ . 1 . 2 . 3 .]" 1
72 1 5 GLU H 1 5 GLU HG3 3.900 . 5.800 4.442 4.290 4.508 . 0 0 "[ . 1 . 2 . 3 .]" 1
73 1 5 GLU H 1 5 GLU HG3 4.000 . 6.000 3.750 3.415 3.934 . 0 0 "[ . 1 . 2 . 3 .]" 1
74 1 5 GLU H 1 6 ALA H 1.500 . 2.200 1.711 1.691 1.718 . 0 0 "[ . 1 . 2 . 3 .]" 1
75 1 5 GLU H 1 6 ALA MB 3.900 . 5.800 2.688 2.034 3.237 . 0 0 "[ . 1 . 2 . 3 .]" 1
76 1 5 GLU H 1 6 ALA MB 4.100 . 6.000 3.058 2.638 3.536 . 0 0 "[ . 1 . 2 . 3 .]" 1
77 1 5 GLU H 1 6 ALA MB 4.300 . 6.000 2.720 2.036 3.245 . 0 0 "[ . 1 . 2 . 3 .]" 1
78 1 5 GLU H 1 38 PHE HB3 4.300 . 6.000 4.516 3.729 5.158 . 0 0 "[ . 1 . 2 . 3 .]" 1
79 1 5 GLU H 1 38 PHE QD 3.700 . 5.400 4.165 3.724 4.463 . 0 0 "[ . 1 . 2 . 3 .]" 1
80 1 5 GLU HA 1 5 GLU HB2 2.100 . 2.700 2.473 2.376 2.565 . 0 0 "[ . 1 . 2 . 3 .]" 1
81 1 5 GLU HA 1 5 GLU HB3 2.400 . 3.100 3.022 3.015 3.029 . 0 0 "[ . 1 . 2 . 3 .]" 1
82 1 5 GLU HA 1 5 GLU HB3 2.800 . 3.800 2.265 1.831 2.617 . 0 0 "[ . 1 . 2 . 3 .]" 1
83 1 5 GLU HA 1 5 GLU HB3 2.700 . 3.600 2.699 2.635 2.932 . 0 0 "[ . 1 . 2 . 3 .]" 1
84 1 5 GLU HA 1 5 GLU HG2 2.900 . 3.900 2.485 2.238 3.116 . 0 0 "[ . 1 . 2 . 3 .]" 1
85 1 5 GLU HA 1 5 GLU HG2 2.800 . 3.800 2.693 2.380 3.324 . 0 0 "[ . 1 . 2 . 3 .]" 1
86 1 5 GLU HA 1 5 GLU HG2 3.000 . 4.100 2.517 2.249 3.139 . 0 0 "[ . 1 . 2 . 3 .]" 1
87 1 5 GLU HA 1 5 GLU HG3 2.200 . 2.800 2.481 2.281 2.760 . 0 0 "[ . 1 . 2 . 3 .]" 1
88 1 5 GLU HA 1 8 CYS H 3.200 . 4.500 3.109 3.021 3.287 . 0 0 "[ . 1 . 2 . 3 .]" 1
89 1 5 GLU HA 1 38 PHE QD 3.600 . 5.300 3.043 2.798 3.237 . 0 0 "[ . 1 . 2 . 3 .]" 1
90 1 5 GLU HA 1 8 CYS H 3.100 . 4.300 2.637 2.564 2.705 . 0 0 "[ . 1 . 2 . 3 .]" 1
91 1 5 GLU HA 1 8 CYS QB 3.300 . 4.600 3.073 2.680 4.061 . 0 0 "[ . 1 . 2 . 3 .]" 1
92 1 5 GLU HA 1 38 PHE QD 3.100 . 4.300 2.566 2.484 2.650 . 0 0 "[ . 1 . 2 . 3 .]" 1
93 1 5 GLU HA 1 37 GLN HA 4.200 . 6.000 4.089 3.439 4.988 . 0 0 "[ . 1 . 2 . 3 .]" 1
94 1 5 GLU HA 1 38 PHE H 2.700 . 3.600 2.680 2.027 3.281 . 0 0 "[ . 1 . 2 . 3 .]" 1
95 1 5 GLU HA 1 38 PHE HA 4.100 . 6.000 3.640 3.102 4.037 . 0 0 "[ . 1 . 2 . 3 .]" 1
96 1 5 GLU HA 1 38 PHE HB3 2.800 . 3.800 3.058 2.279 3.764 . 0 0 "[ . 1 . 2 . 3 .]" 1
97 1 5 GLU HB2 1 5 GLU HG2 2.900 . 4.000 2.887 2.456 3.011 . 0 0 "[ . 1 . 2 . 3 .]" 1
98 1 5 GLU HB2 1 5 GLU HG3 2.100 . 2.700 2.157 2.011 2.324 . 0 0 "[ . 1 . 2 . 3 .]" 1
99 1 5 GLU HB2 1 6 ALA H 3.400 . 4.900 3.759 3.582 3.890 . 0 0 "[ . 1 . 2 . 3 .]" 1
100 1 5 GLU HB2 1 6 ALA H 4.500 . 6.000 3.700 3.556 3.850 . 0 0 "[ . 1 . 2 . 3 .]" 1
101 1 5 GLU HB2 1 38 PHE HB3 3.400 . 4.800 2.685 1.935 3.324 0.065 35 0 "[ . 1 . 2 . 3 .]" 1
102 1 5 GLU HB2 1 38 PHE HB2 3.800 . 5.600 2.300 1.725 3.313 0.275 33 0 "[ . 1 . 2 . 3 .]" 1
103 1 5 GLU HB3 1 5 GLU HG2 2.400 . 3.100 2.435 2.348 2.589 . 0 0 "[ . 1 . 2 . 3 .]" 1
104 1 5 GLU HB3 1 5 GLU HG3 2.900 . 3.900 2.175 1.585 2.562 0.315 6 0 "[ . 1 . 2 . 3 .]" 1
105 1 5 GLU HB3 1 6 ALA H 2.300 . 3.000 2.440 2.199 2.605 . 0 0 "[ . 1 . 2 . 3 .]" 1
106 1 5 GLU HB3 1 9 ASN QB 4.300 . 6.000 3.453 2.643 3.910 . 0 0 "[ . 1 . 2 . 3 .]" 1
107 1 5 GLU HB3 1 9 ASN QB 3.200 . 4.400 3.802 2.696 4.987 0.587 11 1 "[ . 1+ . 2 . 3 .]" 1
108 1 5 GLU HB3 1 38 PHE HB3 3.400 . 4.900 2.022 1.783 2.086 0.117 17 0 "[ . 1 . 2 . 3 .]" 1
109 1 5 GLU HB3 1 38 PHE HB2 3.700 . 5.400 1.980 1.732 2.079 0.268 14 0 "[ . 1 . 2 . 3 .]" 1
110 1 5 GLU HB3 1 38 PHE HB3 3.500 . 5.000 1.997 1.731 2.082 0.269 14 0 "[ . 1 . 2 . 3 .]" 1
111 1 5 GLU HB3 1 38 PHE QD 4.600 . 6.000 5.070 4.645 5.484 . 0 0 "[ . 1 . 2 . 3 .]" 1
112 1 5 GLU HG2 1 6 ALA H 3.000 . 4.200 2.968 2.104 3.890 . 0 0 "[ . 1 . 2 . 3 .]" 1
113 1 5 GLU HG2 1 38 PHE HB2 4.200 . 6.000 3.438 2.613 4.003 . 0 0 "[ . 1 . 2 . 3 .]" 1
114 1 5 GLU HG2 1 37 GLN HB3 2.100 . 2.700 2.211 2.136 2.442 . 0 0 "[ . 1 . 2 . 3 .]" 1
115 1 5 GLU HG3 1 6 ALA H 2.600 . 3.500 3.183 2.451 3.648 0.148 2 0 "[ . 1 . 2 . 3 .]" 1
116 1 5 GLU HG3 1 37 GLN HB3 3.200 . 4.500 2.156 2.048 2.392 . 0 0 "[ . 1 . 2 . 3 .]" 1
117 1 5 GLU HG3 1 8 CYS QB 3.800 . 5.600 4.191 3.732 4.589 . 0 0 "[ . 1 . 2 . 3 .]" 1
118 1 5 GLU HG3 1 37 GLN HB3 3.100 . 4.300 2.165 2.061 2.397 . 0 0 "[ . 1 . 2 . 3 .]" 1
119 1 5 GLU HG3 1 38 PHE QD 4.000 . 6.000 4.804 3.864 6.137 0.137 13 0 "[ . 1 . 2 . 3 .]" 1
120 1 6 ALA H 1 6 ALA HA 2.200 . 2.800 2.805 2.773 2.856 0.056 17 0 "[ . 1 . 2 . 3 .]" 1
121 1 6 ALA H 1 6 ALA MB 2.000 . 2.500 2.127 2.007 2.238 . 0 0 "[ . 1 . 2 . 3 .]" 1
122 1 6 ALA H 1 7 GLU H 2.400 . 3.100 2.686 2.504 2.820 . 0 0 "[ . 1 . 2 . 3 .]" 1
123 1 6 ALA H 1 9 ASN H 3.400 . 4.800 4.658 4.516 4.861 0.061 17 0 "[ . 1 . 2 . 3 .]" 1
124 1 6 ALA H 1 9 ASN QB 3.700 . 5.400 3.426 3.384 3.463 . 0 0 "[ . 1 . 2 . 3 .]" 1
125 1 6 ALA H 1 9 ASN QB 4.000 . 6.000 3.314 3.193 3.404 . 0 0 "[ . 1 . 2 . 3 .]" 1
126 1 6 ALA HA 1 6 ALA MB 2.100 . 2.600 2.104 2.079 2.127 . 0 0 "[ . 1 . 2 . 3 .]" 1
127 1 6 ALA HA 1 6 ALA MB 2.000 . 2.500 2.014 1.964 2.094 . 0 0 "[ . 1 . 2 . 3 .]" 1
128 1 6 ALA HA 1 7 GLU H 2.500 . 6.000 3.534 3.502 3.578 . 0 0 "[ . 1 . 2 . 3 .]" 1
129 1 6 ALA HA 1 9 ASN H 2.800 . 3.800 3.386 3.123 3.728 . 0 0 "[ . 1 . 2 . 3 .]" 1
130 1 6 ALA HA 1 9 ASN QB 2.300 . 2.900 2.348 1.969 2.817 0.031 28 0 "[ . 1 . 2 . 3 .]" 1
131 1 6 ALA HA 1 10 LYS H 3.900 . 5.800 4.582 3.896 5.448 . 0 0 "[ . 1 . 2 . 3 .]" 1
132 1 6 ALA MB 1 7 GLU H 2.600 . 3.400 2.646 2.478 2.816 . 0 0 "[ . 1 . 2 . 3 .]" 1
133 1 6 ALA MB 1 7 GLU H 2.500 . 3.300 2.324 1.720 2.736 . 0 0 "[ . 1 . 2 . 3 .]" 1
134 1 6 ALA MB 1 9 ASN QB 4.000 . 6.000 3.432 3.239 3.648 . 0 0 "[ . 1 . 2 . 3 .]" 1
135 1 6 ALA MB 1 9 ASN H 4.600 . 6.000 4.529 4.365 4.789 . 0 0 "[ . 1 . 2 . 3 .]" 1
136 1 6 ALA MB 1 9 ASN HA 4.500 . 6.000 3.482 1.975 4.310 0.025 26 0 "[ . 1 . 2 . 3 .]" 1
137 1 6 ALA MB 1 9 ASN QB 3.900 . 5.800 3.693 3.473 4.137 . 0 0 "[ . 1 . 2 . 3 .]" 1
138 1 6 ALA MB 1 9 ASN QB 3.200 . 4.500 3.365 2.957 3.605 . 0 0 "[ . 1 . 2 . 3 .]" 1
139 1 6 ALA MB 1 9 ASN QB 3.700 . 5.400 3.334 2.944 3.564 . 0 0 "[ . 1 . 2 . 3 .]" 1
140 1 6 ALA MB 1 9 ASN QB 3.300 . 4.700 2.303 2.107 2.738 . 0 0 "[ . 1 . 2 . 3 .]" 1
141 1 7 GLU H 1 7 GLU HA 2.500 . 3.300 2.807 2.772 2.854 . 0 0 "[ . 1 . 2 . 3 .]" 1
142 1 7 GLU H 1 7 GLU QB 2.200 . 2.800 2.406 2.257 2.590 . 0 0 "[ . 1 . 2 . 3 .]" 1
143 1 7 GLU H 1 7 GLU QG 2.400 . 3.100 2.324 1.969 2.589 . 0 0 "[ . 1 . 2 . 3 .]" 1
144 1 7 GLU H 1 8 CYS H 2.500 . 3.300 2.762 2.650 2.890 . 0 0 "[ . 1 . 2 . 3 .]" 1
145 1 7 GLU H 1 9 ASN H 3.700 . 5.400 3.979 3.795 4.203 . 0 0 "[ . 1 . 2 . 3 .]" 1
146 1 7 GLU HA 1 7 GLU QB 2.300 . 2.900 2.335 2.162 2.446 . 0 0 "[ . 1 . 2 . 3 .]" 1
147 1 7 GLU HA 1 7 GLU QB 2.200 . 2.800 2.147 1.686 2.316 . 0 0 "[ . 1 . 2 . 3 .]" 1
148 1 7 GLU HA 1 7 GLU QG 2.600 . 3.500 2.791 2.310 3.364 . 0 0 "[ . 1 . 2 . 3 .]" 1
149 1 7 GLU HA 1 8 CYS H 2.400 . 3.100 2.328 2.296 2.355 . 0 0 "[ . 1 . 2 . 3 .]" 1
150 1 7 GLU HA 1 9 ASN H 3.200 . 4.500 4.370 4.041 4.569 0.069 33 0 "[ . 1 . 2 . 3 .]" 1
151 1 7 GLU HA 1 10 LYS QE 3.800 . 5.600 3.015 1.919 3.735 0.081 22 0 "[ . 1 . 2 . 3 .]" 1
152 1 7 GLU QB 1 7 GLU HG2 1.900 . 2.400 1.776 1.693 1.820 . 0 0 "[ . 1 . 2 . 3 .]" 1
153 1 7 GLU QB 1 8 CYS H 2.500 . 3.300 2.694 2.218 3.451 0.151 35 0 "[ . 1 . 2 . 3 .]" 1
154 1 7 GLU QB 1 9 ASN H 4.100 . 6.000 4.676 4.346 5.249 . 0 0 "[ . 1 . 2 . 3 .]" 1
155 1 7 GLU QB 1 10 LYS H 3.900 . 5.800 5.015 4.707 5.376 . 0 0 "[ . 1 . 2 . 3 .]" 1
156 1 7 GLU QG 1 8 CYS H 3.600 . 5.300 3.564 2.047 4.315 . 0 0 "[ . 1 . 2 . 3 .]" 1
157 1 7 GLU QG 1 9 ASN H 4.600 . 6.000 5.287 4.211 5.951 . 0 0 "[ . 1 . 2 . 3 .]" 1
158 1 8 CYS H 1 8 CYS HA 2.700 . 3.600 2.832 2.776 2.903 . 0 0 "[ . 1 . 2 . 3 .]" 1
159 1 8 CYS H 1 8 CYS QB 2.700 . 3.500 2.392 2.191 2.554 . 0 0 "[ . 1 . 2 . 3 .]" 1
160 1 8 CYS H 1 9 ASN H 2.400 . 3.100 2.617 2.324 2.795 . 0 0 "[ . 1 . 2 . 3 .]" 1
161 1 8 CYS H 1 10 LYS H 3.600 . 5.200 2.628 2.487 2.847 . 0 0 "[ . 1 . 2 . 3 .]" 1
162 1 8 CYS H 1 38 PHE QD 3.400 . 4.800 4.902 4.814 4.989 0.189 30 0 "[ . 1 . 2 . 3 .]" 1
163 1 8 CYS HA 1 8 CYS QB 2.500 . 3.300 2.369 2.298 2.433 . 0 0 "[ . 1 . 2 . 3 .]" 1
164 1 8 CYS HA 1 9 ASN H 3.100 . 4.300 3.523 3.446 3.553 . 0 0 "[ . 1 . 2 . 3 .]" 1
165 1 8 CYS HA 1 10 LYS H 3.700 . 5.400 3.990 3.636 4.444 . 0 0 "[ . 1 . 2 . 3 .]" 1
166 1 8 CYS HA 1 11 ILE H 3.500 . 5.000 3.590 3.295 3.922 . 0 0 "[ . 1 . 2 . 3 .]" 1
167 1 8 CYS HA 1 11 ILE HB 3.400 . 4.900 3.878 3.388 5.016 0.116 2 0 "[ . 1 . 2 . 3 .]" 1
168 1 8 CYS HA 1 11 ILE MD 3.700 . 5.400 2.264 1.803 2.877 0.197 19 0 "[ . 1 . 2 . 3 .]" 1
169 1 8 CYS HA 1 11 ILE QG 2.700 . 3.600 3.133 1.954 3.681 0.081 18 0 "[ . 1 . 2 . 3 .]" 1
170 1 8 CYS HA 1 20 GLU HG3 3.400 . 4.900 4.146 3.261 4.919 0.019 18 0 "[ . 1 . 2 . 3 .]" 1
171 1 8 CYS QB 1 9 ASN H 2.500 . 3.300 2.684 2.428 3.043 . 0 0 "[ . 1 . 2 . 3 .]" 1
172 1 8 CYS QB 1 9 ASN H 2.100 . 2.700 2.185 2.082 2.282 . 0 0 "[ . 1 . 2 . 3 .]" 1
173 1 8 CYS QB 1 9 ASN HD21 3.700 . 5.400 3.616 3.251 4.078 . 0 0 "[ . 1 . 2 . 3 .]" 1
174 1 8 CYS QB 1 9 ASN HD22 4.100 . 6.000 3.895 3.472 4.322 . 0 0 "[ . 1 . 2 . 3 .]" 1
175 1 8 CYS QB 1 11 ILE QG 4.400 . 6.000 4.454 3.452 5.104 . 0 0 "[ . 1 . 2 . 3 .]" 1
176 1 8 CYS QB 1 23 CYS HA 3.900 . 5.800 3.606 3.043 4.607 . 0 0 "[ . 1 . 2 . 3 .]" 1
177 1 8 CYS QB 1 23 CYS HB3 3.000 . 4.100 2.712 2.260 3.911 . 0 0 "[ . 1 . 2 . 3 .]" 1
178 1 8 CYS QB 1 24 SER H 3.800 . 5.600 4.048 3.515 5.022 . 0 0 "[ . 1 . 2 . 3 .]" 1
179 1 8 CYS QB 1 37 GLN H 3.900 . 5.800 3.573 3.052 4.818 . 0 0 "[ . 1 . 2 . 3 .]" 1
180 1 8 CYS QB 1 37 GLN HA 3.000 . 4.100 2.663 2.033 3.480 . 0 0 "[ . 1 . 2 . 3 .]" 1
181 1 8 CYS QB 1 38 PHE H 3.100 . 4.300 3.142 2.710 3.768 . 0 0 "[ . 1 . 2 . 3 .]" 1
182 1 8 CYS QB 1 38 PHE HA 3.700 . 5.100 3.378 2.919 4.013 . 0 0 "[ . 1 . 2 . 3 .]" 1
183 1 8 CYS QB 1 38 PHE QD 4.000 . 6.000 4.017 3.218 4.570 . 0 0 "[ . 1 . 2 . 3 .]" 1
184 1 9 ASN H 1 9 ASN HA 2.400 . 3.100 2.779 2.725 2.819 . 0 0 "[ . 1 . 2 . 3 .]" 1
185 1 9 ASN H 1 9 ASN QB 3.200 . 3.800 2.323 2.171 2.419 . 0 0 "[ . 1 . 2 . 3 .]" 1
186 1 9 ASN H 1 9 ASN HD21 2.500 . 3.300 2.963 2.679 3.147 . 0 0 "[ . 1 . 2 . 3 .]" 1
187 1 9 ASN H 1 10 LYS H 2.300 . 3.000 2.783 2.630 2.968 . 0 0 "[ . 1 . 2 . 3 .]" 1
188 1 9 ASN H 1 10 LYS HB2 4.300 . 6.000 5.531 4.780 6.560 0.560 1 5 "[+* . - 1 . 2 *. 3 *]" 1
189 1 9 ASN HA 1 9 ASN HD21 1.600 . 2.200 1.665 1.524 1.849 . 0 0 "[ . 1 . 2 . 3 .]" 1
190 1 9 ASN HA 1 9 ASN HD22 3.400 . 4.900 3.307 3.138 3.484 . 0 0 "[ . 1 . 2 . 3 .]" 1
191 1 9 ASN HA 1 10 LYS H 3.000 . 4.100 3.496 3.416 3.547 . 0 0 "[ . 1 . 2 . 3 .]" 1
192 1 9 ASN HA 1 10 LYS HG2 3.900 . 5.800 3.662 2.757 4.521 . 0 0 "[ . 1 . 2 . 3 .]" 1
193 1 9 ASN HA 1 11 ILE H 3.100 . 4.300 4.139 3.945 4.353 0.053 12 0 "[ . 1 . 2 . 3 .]" 1
194 1 9 ASN HA 1 36 CYS H 3.600 . 5.200 3.718 3.298 4.174 . 0 0 "[ . 1 . 2 . 3 .]" 1
195 1 9 ASN HA 1 36 CYS HB3 3.200 . 4.500 3.106 2.628 3.424 . 0 0 "[ . 1 . 2 . 3 .]" 1
196 1 9 ASN HA 1 34 LYS QB 3.500 . 5.000 3.804 2.782 4.731 . 0 0 "[ . 1 . 2 . 3 .]" 1
197 1 9 ASN HA 1 34 LYS QD 3.400 . 4.800 3.781 2.525 4.802 0.002 2 0 "[ . 1 . 2 . 3 .]" 1
198 1 9 ASN HA 1 36 CYS HB2 3.800 . 5.600 4.927 4.400 5.257 . 0 0 "[ . 1 . 2 . 3 .]" 1
199 1 9 ASN HA 1 38 PHE QD 3.700 . 5.400 4.781 4.265 4.946 . 0 0 "[ . 1 . 2 . 3 .]" 1
200 1 9 ASN QB 1 9 ASN HD21 3.200 . 4.400 2.918 2.903 2.939 . 0 0 "[ . 1 . 2 . 3 .]" 1
201 1 9 ASN QB 1 10 LYS H 2.700 . 3.600 2.850 2.580 3.107 . 0 0 "[ . 1 . 2 . 3 .]" 1
202 1 9 ASN QB 1 10 LYS HA 3.600 . 5.200 3.513 3.006 3.779 . 0 0 "[ . 1 . 2 . 3 .]" 1
203 1 9 ASN QB 1 10 LYS HG2 3.400 . 4.900 3.856 3.276 4.324 . 0 0 "[ . 1 . 2 . 3 .]" 1
204 1 9 ASN QB 1 10 LYS HG2 3.500 . 5.000 3.994 3.319 4.717 . 0 0 "[ . 1 . 2 . 3 .]" 1
205 1 9 ASN QB 1 10 LYS HG2 2.400 . 6.000 3.741 3.164 4.330 . 0 0 "[ . 1 . 2 . 3 .]" 1
206 1 9 ASN QB 1 37 GLN HA 4.700 . 6.000 4.317 4.124 4.540 . 0 0 "[ . 1 . 2 . 3 .]" 1
207 1 9 ASN HD21 1 34 LYS QB 3.400 . 4.900 3.179 2.631 4.918 0.018 11 0 "[ . 1 . 2 . 3 .]" 1
208 1 9 ASN HD21 1 37 GLN HA 2.200 . 2.800 2.382 1.844 2.807 0.007 15 0 "[ . 1 . 2 . 3 .]" 1
209 1 9 ASN HD21 1 37 GLN HB2 3.900 . 5.800 4.083 3.327 4.704 . 0 0 "[ . 1 . 2 . 3 .]" 1
210 1 9 ASN HD21 1 37 GLN QG 3.800 . 5.600 4.595 4.093 5.072 . 0 0 "[ . 1 . 2 . 3 .]" 1
211 1 9 ASN HD21 1 38 PHE H 4.300 . 6.000 4.215 3.556 4.754 . 0 0 "[ . 1 . 2 . 3 .]" 1
212 1 9 ASN HD22 1 34 LYS QB 3.100 . 4.300 2.754 1.727 3.556 0.173 33 0 "[ . 1 . 2 . 3 .]" 1
213 1 9 ASN HD22 1 37 GLN HA 2.500 . 3.300 2.695 2.232 3.270 . 0 0 "[ . 1 . 2 . 3 .]" 1
214 1 9 ASN HD22 1 37 GLN HB2 3.000 . 4.200 3.271 2.324 3.981 . 0 0 "[ . 1 . 2 . 3 .]" 1
215 1 9 ASN HD22 1 38 PHE H 3.700 . 5.400 3.712 2.857 4.396 . 0 0 "[ . 1 . 2 . 3 .]" 1
216 1 10 LYS H 1 10 LYS HA 2.400 . 3.100 2.819 2.765 2.860 . 0 0 "[ . 1 . 2 . 3 .]" 1
217 1 10 LYS H 1 10 LYS HB2 2.200 . 2.800 2.901 2.319 3.637 0.837 24 13 "[** .** * * .* 2- +. ** 3 * *]" 1
218 1 10 LYS H 1 10 LYS HB3 3.000 . 4.100 3.201 2.455 3.606 . 0 0 "[ . 1 . 2 . 3 .]" 1
219 1 10 LYS H 1 10 LYS QD 4.400 . 6.000 3.754 3.100 4.324 . 0 0 "[ . 1 . 2 . 3 .]" 1
220 1 10 LYS H 1 10 LYS HE3 3.400 . 4.900 2.722 2.450 3.561 . 0 0 "[ . 1 . 2 . 3 .]" 1
221 1 10 LYS H 1 10 LYS HG2 2.500 . 3.300 2.707 1.867 3.675 0.375 22 0 "[ . 1 . 2 . 3 .]" 1
222 1 10 LYS H 1 10 LYS HG3 3.200 . 4.500 3.018 2.129 3.758 . 0 0 "[ . 1 . 2 . 3 .]" 1
223 1 10 LYS H 1 11 ILE H 2.300 . 2.900 2.654 2.505 2.878 . 0 0 "[ . 1 . 2 . 3 .]" 1
224 1 10 LYS H 1 11 ILE HB 4.200 . 6.000 4.964 4.694 5.362 . 0 0 "[ . 1 . 2 . 3 .]" 1
225 1 10 LYS H 1 11 ILE QG 4.800 . 6.000 4.546 3.757 5.306 . 0 0 "[ . 1 . 2 . 3 .]" 1
226 1 10 LYS HA 1 10 LYS QB 2.200 . 2.800 2.058 1.933 2.143 . 0 0 "[ . 1 . 2 . 3 .]" 1
227 1 10 LYS HA 1 10 LYS HB2 2.400 . 3.100 2.308 1.817 2.931 . 0 0 "[ . 1 . 2 . 3 .]" 1
228 1 10 LYS HA 1 10 LYS QD 2.800 . 3.800 2.246 1.779 2.821 0.021 23 0 "[ . 1 . 2 . 3 .]" 1
229 1 10 LYS HA 1 10 LYS QG 2.800 . 3.800 2.146 1.810 2.974 . 0 0 "[ . 1 . 2 . 3 .]" 1
230 1 10 LYS HA 1 10 LYS QG 2.600 . 3.400 2.218 1.860 3.134 . 0 0 "[ . 1 . 2 . 3 .]" 1
231 1 10 LYS HA 1 11 ILE H 3.000 . 4.100 3.498 3.441 3.587 . 0 0 "[ . 1 . 2 . 3 .]" 1
232 1 10 LYS HA 1 12 THR MG 3.300 . 4.700 3.505 2.752 3.815 . 0 0 "[ . 1 . 2 . 3 .]" 1
233 1 10 LYS HB3 1 11 ILE H 3.900 . 5.800 3.881 3.507 4.241 . 0 0 "[ . 1 . 2 . 3 .]" 1
234 1 10 LYS QE 1 10 LYS HG3 3.200 . 4.500 2.060 1.927 2.314 . 0 0 "[ . 1 . 2 . 3 .]" 1
235 1 10 LYS QE 1 10 LYS HG3 3.600 . 5.200 2.117 1.933 2.437 0.067 1 0 "[ . 1 . 2 . 3 .]" 1
236 1 10 LYS HE3 1 10 LYS QG 2.900 . 3.900 1.847 1.775 1.927 0.125 26 0 "[ . 1 . 2 . 3 .]" 1
237 1 11 ILE H 1 11 ILE HA 2.600 . 3.400 2.811 2.713 2.879 . 0 0 "[ . 1 . 2 . 3 .]" 1
238 1 11 ILE H 1 11 ILE HB 2.100 . 2.700 2.557 2.416 2.739 0.039 4 0 "[ . 1 . 2 . 3 .]" 1
239 1 11 ILE H 1 11 ILE MD 2.400 . 3.100 2.366 1.652 3.187 0.087 4 0 "[ . 1 . 2 . 3 .]" 1
240 1 11 ILE H 1 11 ILE QG 2.500 . 3.300 2.584 1.826 3.245 0.074 4 0 "[ . 1 . 2 . 3 .]" 1
241 1 11 ILE H 1 11 ILE QG 3.300 . 4.600 2.500 1.822 3.058 0.178 4 0 "[ . 1 . 2 . 3 .]" 1
242 1 11 ILE H 1 11 ILE MG 3.700 . 5.400 3.760 3.734 3.787 . 0 0 "[ . 1 . 2 . 3 .]" 1
243 1 11 ILE H 1 12 THR H 3.800 . 5.600 4.260 2.814 4.630 . 0 0 "[ . 1 . 2 . 3 .]" 1
244 1 11 ILE H 1 36 CYS HB2 2.300 . 6.000 4.863 4.340 5.516 . 0 0 "[ . 1 . 2 . 3 .]" 1
245 1 11 ILE H 1 36 CYS HB3 3.300 . 4.700 3.710 3.240 4.385 . 0 0 "[ . 1 . 2 . 3 .]" 1
246 1 11 ILE HA 1 11 ILE QG 2.200 . 2.800 2.053 1.861 2.212 . 0 0 "[ . 1 . 2 . 3 .]" 1
247 1 11 ILE HA 1 11 ILE HB 2.700 . 3.600 3.021 2.999 3.031 . 0 0 "[ . 1 . 2 . 3 .]" 1
248 1 11 ILE HA 1 11 ILE QG 2.700 . 3.600 2.721 2.334 3.139 . 0 0 "[ . 1 . 2 . 3 .]" 1
249 1 11 ILE HA 1 11 ILE MG 2.200 . 2.800 2.402 2.128 2.600 . 0 0 "[ . 1 . 2 . 3 .]" 1
250 1 11 ILE HA 1 12 THR H 1.800 . 2.200 2.008 1.861 2.310 0.110 23 0 "[ . 1 . 2 . 3 .]" 1
251 1 11 ILE HA 1 12 THR HA 4.100 . 6.000 4.598 4.349 5.380 . 0 0 "[ . 1 . 2 . 3 .]" 1
252 1 11 ILE HA 1 12 THR MG 3.000 . 4.200 3.917 3.615 4.294 0.094 1 0 "[ . 1 . 2 . 3 .]" 1
253 1 11 ILE HA 1 12 THR MG 3.400 . 4.800 3.802 3.531 4.251 . 0 0 "[ . 1 . 2 . 3 .]" 1
254 1 11 ILE HA 1 13 GLU H 3.600 . 5.300 3.920 3.597 4.445 . 0 0 "[ . 1 . 2 . 3 .]" 1
255 1 11 ILE HA 1 17 CYS HB2 2.600 . 3.400 2.442 2.257 2.583 . 0 0 "[ . 1 . 2 . 3 .]" 1
256 1 11 ILE HA 1 17 CYS HB2 2.600 . 3.500 2.481 2.278 2.619 . 0 0 "[ . 1 . 2 . 3 .]" 1
257 1 11 ILE HB 1 11 ILE MD 3.100 . 4.300 2.761 2.237 3.237 . 0 0 "[ . 1 . 2 . 3 .]" 1
258 1 11 ILE HB 1 11 ILE QG 1.800 . 2.200 1.853 1.785 1.908 . 0 0 "[ . 1 . 2 . 3 .]" 1
259 1 11 ILE HB 1 11 ILE MG 2.200 . 2.800 2.105 2.080 2.125 . 0 0 "[ . 1 . 2 . 3 .]" 1
260 1 11 ILE HB 1 12 THR H 3.500 . 5.100 3.716 2.269 4.229 . 0 0 "[ . 1 . 2 . 3 .]" 1
261 1 11 ILE HB 1 13 GLU H 4.100 . 6.000 3.533 2.866 4.115 . 0 0 "[ . 1 . 2 . 3 .]" 1
262 1 11 ILE HB 1 17 CYS HA 3.500 . 5.100 3.752 2.791 4.203 . 0 0 "[ . 1 . 2 . 3 .]" 1
263 1 11 ILE HB 1 36 CYS HB2 2.900 . 4.000 3.038 2.532 4.018 0.018 18 0 "[ . 1 . 2 . 3 .]" 1
264 1 11 ILE HB 1 36 CYS HB3 2.900 . 4.000 2.757 2.200 3.503 . 0 0 "[ . 1 . 2 . 3 .]" 1
265 1 11 ILE MD 1 11 ILE QG 1.900 . 2.400 1.856 1.837 1.889 . 0 0 "[ . 1 . 2 . 3 .]" 1
266 1 11 ILE MD 1 12 THR H 4.100 . 6.000 4.238 3.542 5.120 . 0 0 "[ . 1 . 2 . 3 .]" 1
267 1 11 ILE QG 1 20 GLU QB 3.800 . 5.600 3.351 2.725 3.807 . 0 0 "[ . 1 . 2 . 3 .]" 1
268 1 11 ILE QG 1 23 CYS HB2 3.900 . 5.800 3.300 2.335 3.864 . 0 0 "[ . 1 . 2 . 3 .]" 1
269 1 11 ILE QG 1 20 GLU QB 3.200 . 4.500 3.556 2.833 4.105 . 0 0 "[ . 1 . 2 . 3 .]" 1
270 1 11 ILE QG 1 20 GLU HG2 3.600 . 5.200 3.067 1.916 3.454 0.084 15 0 "[ . 1 . 2 . 3 .]" 1
271 1 11 ILE QG 1 12 THR H 4.100 . 6.000 4.337 3.904 4.724 . 0 0 "[ . 1 . 2 . 3 .]" 1
272 1 11 ILE QG 1 17 CYS HA 2.400 . 3.100 2.958 1.912 3.249 0.149 4 0 "[ . 1 . 2 . 3 .]" 1
273 1 11 ILE QG 1 20 GLU QB 3.500 . 5.000 3.755 3.033 4.400 . 0 0 "[ . 1 . 2 . 3 .]" 1
274 1 11 ILE QG 1 20 GLU HG2 2.800 . 3.800 3.261 1.923 3.730 . 0 0 "[ . 1 . 2 . 3 .]" 1
275 1 11 ILE QG 1 20 GLU HG3 2.200 . 2.800 2.389 1.564 3.587 0.787 15 1 "[ . 1 + 2 . 3 .]" 1
276 1 11 ILE QG 1 23 CYS HB3 4.200 . 6.000 4.742 3.936 5.819 . 0 0 "[ . 1 . 2 . 3 .]" 1
277 1 11 ILE MG 1 12 THR H 2.300 . 3.000 2.422 1.958 3.052 0.052 22 0 "[ . 1 . 2 . 3 .]" 1
278 1 11 ILE MG 1 12 THR HA 3.600 . 5.200 3.698 3.248 4.079 . 0 0 "[ . 1 . 2 . 3 .]" 1
279 1 11 ILE MG 1 13 GLU H 2.000 . 2.500 1.892 1.495 2.498 0.005 9 0 "[ . 1 . 2 . 3 .]" 1
280 1 11 ILE MG 1 13 GLU HB2 2.000 . 2.500 2.087 1.704 2.562 0.062 20 0 "[ . 1 . 2 . 3 .]" 1
281 1 11 ILE MG 1 13 GLU QG 3.500 . 5.100 3.882 3.180 4.611 . 0 0 "[ . 1 . 2 . 3 .]" 1
282 1 11 ILE MG 1 16 LYS H 3.700 . 5.400 3.951 3.539 4.273 . 0 0 "[ . 1 . 2 . 3 .]" 1
283 1 11 ILE MG 1 16 LYS HG3 4.100 . 6.000 4.070 3.084 4.750 . 0 0 "[ . 1 . 2 . 3 .]" 1
284 1 11 ILE MG 1 17 CYS H 2.200 . 2.800 2.461 2.003 2.686 . 0 0 "[ . 1 . 2 . 3 .]" 1
285 1 11 ILE MG 1 17 CYS HA 2.100 . 2.700 2.455 2.129 2.719 0.019 35 0 "[ . 1 . 2 . 3 .]" 1
286 1 11 ILE MG 1 17 CYS HB2 2.100 . 2.700 1.909 1.593 2.447 . 0 0 "[ . 1 . 2 . 3 .]" 1
287 1 11 ILE MG 1 17 CYS HB3 3.800 . 5.600 3.356 3.140 3.845 . 0 0 "[ . 1 . 2 . 3 .]" 1
288 1 11 ILE MG 1 25 TRP HE3 4.300 . 6.000 3.990 3.371 4.446 . 0 0 "[ . 1 . 2 . 3 .]" 1
289 1 11 ILE MG 1 25 TRP HH2 3.800 . 5.600 4.617 3.869 5.279 . 0 0 "[ . 1 . 2 . 3 .]" 1
290 1 11 ILE MG 1 36 CYS HB2 3.400 . 4.800 3.229 2.600 4.295 . 0 0 "[ . 1 . 2 . 3 .]" 1
291 1 12 THR H 1 12 THR HA 2.600 . 3.400 2.806 2.254 2.953 . 0 0 "[ . 1 . 2 . 3 .]" 1
292 1 12 THR H 1 12 THR MG 2.400 . 3.100 2.593 1.966 3.149 0.049 20 0 "[ . 1 . 2 . 3 .]" 1
293 1 12 THR H 1 13 GLU H 2.100 . 2.700 2.363 1.922 2.823 0.123 23 0 "[ . 1 . 2 . 3 .]" 1
294 1 12 THR H 1 13 GLU HB2 3.700 . 5.400 4.240 3.705 5.193 . 0 0 "[ . 1 . 2 . 3 .]" 1
295 1 12 THR H 1 13 GLU QG 3.700 . 5.400 3.844 3.072 5.080 . 0 0 "[ . 1 . 2 . 3 .]" 1
296 1 12 THR HA 1 12 THR MG 2.000 . 2.500 2.011 1.901 2.104 . 0 0 "[ . 1 . 2 . 3 .]" 1
297 1 12 THR HA 1 13 GLU H 2.400 . 3.100 2.723 2.426 3.176 0.076 21 0 "[ . 1 . 2 . 3 .]" 1
298 1 12 THR HA 1 25 TRP HH2 2.600 . 3.400 2.881 2.178 3.471 0.071 28 0 "[ . 1 . 2 . 3 .]" 1
299 1 12 THR MG 1 13 GLU H 3.400 . 4.800 3.798 1.995 4.415 0.005 16 0 "[ . 1 . 2 . 3 .]" 1
300 1 12 THR MG 1 25 TRP HH2 4.400 . 6.000 4.604 3.884 5.392 . 0 0 "[ . 1 . 2 . 3 .]" 1
301 1 13 GLU H 1 13 GLU HA 2.400 . 3.100 2.918 2.881 2.947 . 0 0 "[ . 1 . 2 . 3 .]" 1
302 1 13 GLU H 1 13 GLU HB2 2.200 . 2.800 2.678 2.342 2.850 0.050 31 0 "[ . 1 . 2 . 3 .]" 1
303 1 13 GLU H 1 13 GLU HB3 3.300 . 4.700 3.779 3.586 3.892 . 0 0 "[ . 1 . 2 . 3 .]" 1
304 1 13 GLU H 1 13 GLU HG2 2.400 . 3.100 2.136 1.921 2.719 . 0 0 "[ . 1 . 2 . 3 .]" 1
305 1 13 GLU H 1 14 GLU HA 3.700 . 5.400 3.741 3.363 4.023 . 0 0 "[ . 1 . 2 . 3 .]" 1
306 1 13 GLU H 1 14 GLU QB 4.600 . 6.000 4.757 4.437 5.218 . 0 0 "[ . 1 . 2 . 3 .]" 1
307 1 13 GLU H 1 17 CYS H 4.100 . 6.000 3.801 3.435 4.288 . 0 0 "[ . 1 . 2 . 3 .]" 1
308 1 13 GLU H 1 17 CYS HB2 3.700 . 5.400 2.646 2.384 2.931 . 0 0 "[ . 1 . 2 . 3 .]" 1
309 1 13 GLU HA 1 13 GLU HB2 2.700 . 3.600 3.020 3.004 3.028 . 0 0 "[ . 1 . 2 . 3 .]" 1
310 1 13 GLU HA 1 13 GLU HB3 2.300 . 2.900 2.513 2.401 2.602 . 0 0 "[ . 1 . 2 . 3 .]" 1
311 1 13 GLU HA 1 13 GLU QG 2.600 . 3.400 2.624 2.228 3.134 . 0 0 "[ . 1 . 2 . 3 .]" 1
312 1 13 GLU HA 1 13 GLU QG 3.000 . 4.100 2.323 2.096 2.740 . 0 0 "[ . 1 . 2 . 3 .]" 1
313 1 13 GLU HA 1 14 GLU H 1.800 . 2.200 2.176 2.116 2.224 0.024 6 0 "[ . 1 . 2 . 3 .]" 1
314 1 13 GLU HA 1 14 GLU HA 4.300 . 6.000 4.332 4.283 4.372 . 0 0 "[ . 1 . 2 . 3 .]" 1
315 1 13 GLU HA 1 14 GLU QB 4.900 . 6.000 4.119 4.013 4.574 . 0 0 "[ . 1 . 2 . 3 .]" 1
316 1 13 GLU HA 1 15 PRO HD2 3.700 . 5.400 3.531 3.111 3.778 . 0 0 "[ . 1 . 2 . 3 .]" 1
317 1 13 GLU HA 1 15 PRO HD3 4.500 . 6.000 4.491 4.217 4.805 . 0 0 "[ . 1 . 2 . 3 .]" 1
318 1 13 GLU HA 1 25 TRP HH2 3.300 . 4.600 3.492 2.903 4.617 0.017 16 0 "[ . 1 . 2 . 3 .]" 1
319 1 13 GLU HA 1 25 TRP HZ2 3.900 . 5.800 4.528 3.726 5.647 . 0 0 "[ . 1 . 2 . 3 .]" 1
320 1 13 GLU HB2 1 13 GLU QG 1.700 . 2.200 1.704 1.688 1.730 . 0 0 "[ . 1 . 2 . 3 .]" 1
321 1 13 GLU HB2 1 14 GLU H 3.900 . 5.800 4.164 3.851 4.334 . 0 0 "[ . 1 . 2 . 3 .]" 1
322 1 13 GLU HB2 1 16 LYS H 2.100 . 2.700 2.274 1.994 2.408 . 0 0 "[ . 1 . 2 . 3 .]" 1
323 1 13 GLU HB3 1 14 GLU H 2.900 . 3.900 3.160 2.919 3.353 . 0 0 "[ . 1 . 2 . 3 .]" 1
324 1 13 GLU HB3 1 15 PRO HD2 2.100 . 2.600 2.220 1.786 2.616 0.016 1 0 "[ . 1 . 2 . 3 .]" 1
325 1 13 GLU HB3 1 15 PRO HD3 3.600 . 5.200 3.865 3.456 4.340 . 0 0 "[ . 1 . 2 . 3 .]" 1
326 1 13 GLU HB3 1 16 LYS H 2.900 . 4.000 2.977 2.557 3.440 . 0 0 "[ . 1 . 2 . 3 .]" 1
327 1 13 GLU QG 1 14 GLU H 4.100 . 6.000 4.277 3.704 4.680 . 0 0 "[ . 1 . 2 . 3 .]" 1
328 1 14 GLU H 1 14 GLU HA 2.400 . 3.100 2.787 2.734 2.836 . 0 0 "[ . 1 . 2 . 3 .]" 1
329 1 14 GLU H 1 14 GLU QB 2.100 . 2.700 2.251 2.107 2.616 . 0 0 "[ . 1 . 2 . 3 .]" 1
330 1 14 GLU H 1 15 PRO HD2 2.300 . 2.900 2.585 1.996 2.827 . 0 0 "[ . 1 . 2 . 3 .]" 1
331 1 14 GLU H 1 15 PRO HD3 2.400 . 3.100 2.769 2.545 3.166 0.066 30 0 "[ . 1 . 2 . 3 .]" 1
332 1 14 GLU H 1 18 SER QB 3.900 . 5.800 5.965 5.658 6.084 0.284 11 0 "[ . 1 . 2 . 3 .]" 1
333 1 14 GLU H 1 25 TRP HZ2 3.500 . 5.100 3.082 2.555 3.478 . 0 0 "[ . 1 . 2 . 3 .]" 1
334 1 14 GLU H 1 25 TRP HE3 3.500 . 5.000 4.087 3.647 4.610 . 0 0 "[ . 1 . 2 . 3 .]" 1
335 1 14 GLU H 1 25 TRP HH2 3.300 . 4.700 3.751 3.493 4.046 . 0 0 "[ . 1 . 2 . 3 .]" 1
336 1 14 GLU H 1 25 TRP HZ2 3.300 . 4.600 4.131 3.551 4.657 0.057 16 0 "[ . 1 . 2 . 3 .]" 1
337 1 14 GLU HA 1 14 GLU QB 2.300 . 2.900 2.346 2.223 2.449 . 0 0 "[ . 1 . 2 . 3 .]" 1
338 1 14 GLU HA 1 14 GLU QG 2.700 . 3.600 2.497 2.302 3.292 . 0 0 "[ . 1 . 2 . 3 .]" 1
339 1 14 GLU HA 1 15 PRO HD2 3.900 . 5.800 4.144 3.738 4.252 . 0 0 "[ . 1 . 2 . 3 .]" 1
340 1 14 GLU HA 1 17 CYS H 2.900 . 4.000 3.594 3.374 3.834 . 0 0 "[ . 1 . 2 . 3 .]" 1
341 1 14 GLU HA 1 17 CYS HB2 3.400 . 4.800 3.621 3.146 3.903 . 0 0 "[ . 1 . 2 . 3 .]" 1
342 1 14 GLU HA 1 17 CYS HB3 2.300 . 3.000 2.768 2.446 3.150 0.150 18 0 "[ . 1 . 2 . 3 .]" 1
343 1 14 GLU HA 1 18 SER H 3.500 . 5.000 3.722 3.434 4.138 . 0 0 "[ . 1 . 2 . 3 .]" 1
344 1 14 GLU HA 1 25 TRP QB 3.100 . 4.300 3.116 2.449 3.649 . 0 0 "[ . 1 . 2 . 3 .]" 1
345 1 14 GLU HA 1 25 TRP HD1 3.800 . 5.600 4.728 4.170 5.134 . 0 0 "[ . 1 . 2 . 3 .]" 1
346 1 14 GLU HA 1 25 TRP HE3 2.500 . 3.300 3.012 2.778 3.132 . 0 0 "[ . 1 . 2 . 3 .]" 1
347 1 14 GLU HA 1 25 TRP HH2 3.400 . 4.900 4.637 4.061 5.028 0.128 8 0 "[ . 1 . 2 . 3 .]" 1
348 1 14 GLU QB 1 14 GLU QG 2.200 . 2.800 2.055 1.968 2.088 . 0 0 "[ . 1 . 2 . 3 .]" 1
349 1 14 GLU QB 1 15 PRO HD2 3.500 . 5.000 2.996 2.625 3.164 . 0 0 "[ . 1 . 2 . 3 .]" 1
350 1 14 GLU QB 1 15 PRO HD3 3.000 . 4.100 1.763 1.595 2.222 0.305 33 0 "[ . 1 . 2 . 3 .]" 1
351 1 14 GLU QB 1 15 PRO HD2 3.500 . 5.000 3.047 2.658 3.201 . 0 0 "[ . 1 . 2 . 3 .]" 1
352 1 14 GLU QB 1 15 PRO HD3 2.100 . 2.700 1.767 1.599 2.226 0.301 33 0 "[ . 1 . 2 . 3 .]" 1
353 1 14 GLU QB 1 25 TRP QB 3.800 . 5.600 3.949 3.092 4.272 . 0 0 "[ . 1 . 2 . 3 .]" 1
354 1 14 GLU QB 1 25 TRP HD1 3.900 . 4.300 3.873 2.709 4.211 . 0 0 "[ . 1 . 2 . 3 .]" 1
355 1 14 GLU QB 1 25 TRP HE1 3.900 . 4.400 3.334 2.920 4.237 . 0 0 "[ . 1 . 2 . 3 .]" 1
356 1 14 GLU QB 1 25 TRP HE3 4.700 . 6.000 4.614 4.155 4.894 . 0 0 "[ . 1 . 2 . 3 .]" 1
357 1 14 GLU QB 1 25 TRP HZ2 3.900 . 5.800 3.801 3.077 4.885 . 0 0 "[ . 1 . 2 . 3 .]" 1
358 1 14 GLU QB 1 35 ASN HB3 3.800 . 5.600 4.440 3.694 4.940 . 0 0 "[ . 1 . 2 . 3 .]" 1
359 1 14 GLU QG 1 15 PRO HD2 4.200 . 6.000 4.506 3.811 5.063 . 0 0 "[ . 1 . 2 . 3 .]" 1
360 1 14 GLU QG 1 15 PRO HD3 3.200 . 4.500 3.433 2.447 3.985 . 0 0 "[ . 1 . 2 . 3 .]" 1
361 1 14 GLU QG 1 25 TRP QB 3.400 . 4.800 2.761 2.084 4.179 . 0 0 "[ . 1 . 2 . 3 .]" 1
362 1 14 GLU QG 1 25 TRP HD1 2.700 . 3.600 3.137 2.446 3.739 0.139 31 0 "[ . 1 . 2 . 3 .]" 1
363 1 14 GLU QG 1 25 TRP HE1 3.700 . 5.400 3.787 2.537 4.676 . 0 0 "[ . 1 . 2 . 3 .]" 1
364 1 14 GLU QG 1 25 TRP HE3 4.400 . 6.000 4.405 3.972 5.738 . 0 0 "[ . 1 . 2 . 3 .]" 1
365 1 15 PRO HA 1 15 PRO HB3 2.300 . 2.900 2.294 2.266 2.311 . 0 0 "[ . 1 . 2 . 3 .]" 1
366 1 15 PRO HA 1 15 PRO HD2 3.700 . 5.400 3.942 3.921 4.069 . 0 0 "[ . 1 . 2 . 3 .]" 1
367 1 15 PRO HA 1 15 PRO HD3 3.100 . 4.300 3.651 3.362 3.788 . 0 0 "[ . 1 . 2 . 3 .]" 1
368 1 15 PRO HA 1 15 PRO HG2 3.600 . 5.200 3.917 3.874 3.973 . 0 0 "[ . 1 . 2 . 3 .]" 1
369 1 15 PRO HA 1 18 SER H 3.200 . 4.500 3.844 3.496 4.505 0.005 8 0 "[ . 1 . 2 . 3 .]" 1
370 1 15 PRO HB2 1 15 PRO HD2 3.200 . 4.500 3.063 2.910 4.037 . 0 0 "[ . 1 . 2 . 3 .]" 1
371 1 15 PRO HB2 1 15 PRO HD3 3.600 . 5.300 3.867 3.851 3.920 . 0 0 "[ . 1 . 2 . 3 .]" 1
372 1 15 PRO HB2 1 16 LYS H 2.600 . 3.400 2.543 2.152 3.043 . 0 0 "[ . 1 . 2 . 3 .]" 1
373 1 15 PRO HB3 1 15 PRO HD2 3.400 . 4.800 3.894 3.874 3.923 . 0 0 "[ . 1 . 2 . 3 .]" 1
374 1 15 PRO HB3 1 15 PRO HD3 3.300 . 4.700 3.933 2.978 4.066 . 0 0 "[ . 1 . 2 . 3 .]" 1
375 1 15 PRO HD2 1 15 PRO HG2 2.200 . 2.800 2.311 2.298 2.324 . 0 0 "[ . 1 . 2 . 3 .]" 1
376 1 15 PRO HD2 1 15 PRO HG3 2.900 . 4.000 2.954 2.673 2.996 . 0 0 "[ . 1 . 2 . 3 .]" 1
377 1 15 PRO HD2 1 16 LYS H 2.400 . 3.100 2.799 2.509 3.120 0.020 20 0 "[ . 1 . 2 . 3 .]" 1
378 1 15 PRO HD2 1 17 CYS H 4.000 . 6.000 4.535 4.426 4.676 . 0 0 "[ . 1 . 2 . 3 .]" 1
379 1 15 PRO HD3 1 15 PRO HG2 2.600 . 3.500 2.726 2.681 2.993 . 0 0 "[ . 1 . 2 . 3 .]" 1
380 1 15 PRO HD3 1 15 PRO HG3 2.300 . 2.900 2.311 2.300 2.324 . 0 0 "[ . 1 . 2 . 3 .]" 1
381 1 15 PRO HD3 1 16 LYS H 3.600 . 5.200 4.066 3.906 4.353 . 0 0 "[ . 1 . 2 . 3 .]" 1
382 1 15 PRO HG2 1 16 LYS H 3.100 . 4.300 3.786 2.309 4.103 . 0 0 "[ . 1 . 2 . 3 .]" 1
383 1 16 LYS H 1 16 LYS HA 2.400 . 3.100 2.839 2.801 2.877 . 0 0 "[ . 1 . 2 . 3 .]" 1
384 1 16 LYS H 1 16 LYS HG2 2.700 . 3.600 3.316 2.108 3.910 0.310 20 0 "[ . 1 . 2 . 3 .]" 1
385 1 16 LYS H 1 16 LYS HG3 3.200 . 4.500 2.764 2.230 4.427 . 0 0 "[ . 1 . 2 . 3 .]" 1
386 1 16 LYS H 1 17 CYS H 2.100 . 2.700 2.629 2.475 2.722 0.022 33 0 "[ . 1 . 2 . 3 .]" 1
387 1 16 LYS H 1 18 SER H 3.700 . 5.400 4.068 3.908 4.496 . 0 0 "[ . 1 . 2 . 3 .]" 1
388 1 16 LYS HA 1 16 LYS QB 2.100 . 2.700 2.390 2.218 2.542 . 0 0 "[ . 1 . 2 . 3 .]" 1
389 1 16 LYS HA 1 16 LYS QD 3.600 . 5.200 3.597 1.968 4.339 0.032 21 0 "[ . 1 . 2 . 3 .]" 1
390 1 16 LYS HA 1 16 LYS HG3 2.900 . 3.900 3.198 2.858 3.804 . 0 0 "[ . 1 . 2 . 3 .]" 1
391 1 16 LYS HA 1 17 CYS H 3.000 . 4.100 3.548 3.531 3.572 . 0 0 "[ . 1 . 2 . 3 .]" 1
392 1 16 LYS QB 1 17 CYS H 2.100 . 2.600 2.485 2.354 2.650 0.050 20 0 "[ . 1 . 2 . 3 .]" 1
393 1 16 LYS HG2 1 17 CYS H 4.300 . 6.000 3.291 2.599 3.680 . 0 0 "[ . 1 . 2 . 3 .]" 1
394 1 16 LYS HG3 1 17 CYS H 4.800 . 6.000 4.445 3.884 4.966 . 0 0 "[ . 1 . 2 . 3 .]" 1
395 1 17 CYS H 1 17 CYS HB2 2.000 . 2.500 2.404 2.190 2.518 0.018 25 0 "[ . 1 . 2 . 3 .]" 1
396 1 17 CYS H 1 17 CYS HB3 2.200 . 2.800 2.652 2.512 2.899 0.099 29 0 "[ . 1 . 2 . 3 .]" 1
397 1 17 CYS H 1 18 SER H 2.300 . 3.000 2.660 2.488 2.885 . 0 0 "[ . 1 . 2 . 3 .]" 1
398 1 17 CYS H 1 18 SER H 3.100 . 4.300 2.585 2.344 2.757 . 0 0 "[ . 1 . 2 . 3 .]" 1
399 1 17 CYS H 1 18 SER QB 4.600 . 6.000 4.563 4.269 5.050 . 0 0 "[ . 1 . 2 . 3 .]" 1
400 1 17 CYS H 1 25 TRP QB 4.500 . 6.000 5.180 4.593 5.722 . 0 0 "[ . 1 . 2 . 3 .]" 1
401 1 17 CYS H 1 25 TRP HE3 4.300 . 6.000 4.395 4.083 4.696 . 0 0 "[ . 1 . 2 . 3 .]" 1
402 1 17 CYS HA 1 17 CYS HB2 2.400 . 3.100 2.486 2.281 2.628 . 0 0 "[ . 1 . 2 . 3 .]" 1
403 1 17 CYS HA 1 17 CYS HB3 2.900 . 3.900 3.020 2.969 3.039 . 0 0 "[ . 1 . 2 . 3 .]" 1
404 1 17 CYS HA 1 20 GLU H 2.700 . 3.600 2.380 2.044 2.951 . 0 0 "[ . 1 . 2 . 3 .]" 1
405 1 17 CYS HA 1 20 GLU HG2 3.000 . 4.100 2.857 2.191 4.110 0.010 24 0 "[ . 1 . 2 . 3 .]" 1
406 1 17 CYS HA 1 25 TRP HE3 4.200 . 6.000 4.691 4.424 5.330 . 0 0 "[ . 1 . 2 . 3 .]" 1
407 1 17 CYS HB2 1 18 SER H 3.500 . 5.000 3.776 3.643 3.894 . 0 0 "[ . 1 . 2 . 3 .]" 1
408 1 17 CYS HB2 1 25 TRP HE3 2.800 . 3.800 2.590 2.134 3.308 . 0 0 "[ . 1 . 2 . 3 .]" 1
409 1 17 CYS HB2 1 25 TRP HE3 2.400 . 3.100 2.560 2.127 3.141 0.041 18 0 "[ . 1 . 2 . 3 .]" 1
410 1 17 CYS HB2 1 25 TRP HH2 3.400 . 4.800 4.638 4.386 4.810 0.010 16 0 "[ . 1 . 2 . 3 .]" 1
411 1 17 CYS HB3 1 18 SER H 2.300 . 3.000 2.602 2.255 2.991 . 0 0 "[ . 1 . 2 . 3 .]" 1
412 1 17 CYS HB3 1 25 TRP H 4.200 . 6.000 4.471 3.856 5.065 . 0 0 "[ . 1 . 2 . 3 .]" 1
413 1 17 CYS HB3 1 25 TRP QB 2.700 . 3.600 2.967 2.275 3.608 0.008 18 0 "[ . 1 . 2 . 3 .]" 1
414 1 17 CYS HB3 1 25 TRP HE3 2.000 . 2.500 2.242 2.049 2.511 0.011 31 0 "[ . 1 . 2 . 3 .]" 1
415 1 17 CYS HB3 1 25 TRP HH2 4.800 . 6.000 5.719 5.308 6.026 0.026 10 0 "[ . 1 . 2 . 3 .]" 1
416 1 18 SER H 1 18 SER HA 2.500 . 3.300 2.814 2.739 2.882 . 0 0 "[ . 1 . 2 . 3 .]" 1
417 1 18 SER H 1 18 SER QB 2.500 . 3.300 2.323 2.006 2.569 . 0 0 "[ . 1 . 2 . 3 .]" 1
418 1 18 SER H 1 19 GLU H 2.700 . 3.600 2.635 2.394 3.161 . 0 0 "[ . 1 . 2 . 3 .]" 1
419 1 18 SER H 1 25 TRP QB 3.700 . 5.400 4.022 3.388 4.822 . 0 0 "[ . 1 . 2 . 3 .]" 1
420 1 18 SER H 1 25 TRP HE3 4.400 . 6.000 4.713 4.245 5.168 . 0 0 "[ . 1 . 2 . 3 .]" 1
421 1 18 SER HA 1 18 SER QB 2.100 . 2.700 2.339 2.185 2.540 . 0 0 "[ . 1 . 2 . 3 .]" 1
422 1 18 SER HA 1 19 GLU H 3.500 . 5.100 3.487 2.827 3.565 . 0 0 "[ . 1 . 2 . 3 .]" 1
423 1 18 SER HA 1 24 SER HA 3.000 . 4.100 3.687 2.136 4.160 0.060 26 0 "[ . 1 . 2 . 3 .]" 1
424 1 18 SER HA 1 25 TRP H 3.500 . 5.000 4.000 2.880 4.919 . 0 0 "[ . 1 . 2 . 3 .]" 1
425 1 18 SER QB 1 19 GLU H 3.200 . 4.500 3.016 2.514 3.876 . 0 0 "[ . 1 . 2 . 3 .]" 1
426 1 18 SER QB 1 19 GLU H 3.500 . 5.100 2.985 2.507 3.783 . 0 0 "[ . 1 . 2 . 3 .]" 1
427 1 18 SER QB 1 19 GLU H 2.800 . 3.800 2.234 1.974 2.561 . 0 0 "[ . 1 . 2 . 3 .]" 1
428 1 18 SER HB2 1 19 GLU H 2.700 . 3.600 2.305 2.024 2.644 . 0 0 "[ . 1 . 2 . 3 .]" 1
429 1 19 GLU H 1 19 GLU HA 2.500 . 3.300 2.858 2.798 2.948 . 0 0 "[ . 1 . 2 . 3 .]" 1
430 1 19 GLU H 1 19 GLU QB 2.400 . 3.100 2.355 2.069 2.841 . 0 0 "[ . 1 . 2 . 3 .]" 1
431 1 19 GLU H 1 19 GLU QB 2.500 . 3.300 2.096 1.932 2.250 . 0 0 "[ . 1 . 2 . 3 .]" 1
432 1 19 GLU H 1 19 GLU HG2 3.700 . 5.400 3.740 2.033 4.613 . 0 0 "[ . 1 . 2 . 3 .]" 1
433 1 19 GLU H 1 19 GLU HG3 3.500 . 5.000 3.846 2.332 4.807 . 0 0 "[ . 1 . 2 . 3 .]" 1
434 1 19 GLU H 1 19 GLU HG3 3.700 . 5.400 3.116 2.296 3.936 . 0 0 "[ . 1 . 2 . 3 .]" 1
435 1 19 GLU H 1 19 GLU HG3 3.900 . 5.800 2.636 1.901 3.367 0.099 3 0 "[ . 1 . 2 . 3 .]" 1
436 1 19 GLU HA 1 19 GLU QB 2.200 . 2.800 2.366 2.171 2.535 . 0 0 "[ . 1 . 2 . 3 .]" 1
437 1 19 GLU QB 1 19 GLU HG2 2.200 . 2.800 2.314 2.154 2.421 . 0 0 "[ . 1 . 2 . 3 .]" 1
438 1 19 GLU QB 1 19 GLU HG3 2.200 . 2.800 2.293 2.147 2.402 . 0 0 "[ . 1 . 2 . 3 .]" 1
439 1 20 GLU H 1 20 GLU HA 2.600 . 3.400 2.804 2.745 2.906 . 0 0 "[ . 1 . 2 . 3 .]" 1
440 1 20 GLU H 1 20 GLU QB 2.500 . 3.300 2.382 2.117 2.517 . 0 0 "[ . 1 . 2 . 3 .]" 1
441 1 20 GLU H 1 20 GLU HG3 4.100 . 6.000 3.735 3.506 4.456 . 0 0 "[ . 1 . 2 . 3 .]" 1
442 1 20 GLU H 1 21 LYS H 3.200 . 4.500 3.579 2.453 4.086 . 0 0 "[ . 1 . 2 . 3 .]" 1
443 1 20 GLU HA 1 20 GLU QB 2.400 . 3.100 2.405 2.355 2.522 . 0 0 "[ . 1 . 2 . 3 .]" 1
444 1 20 GLU HA 1 20 GLU HG2 2.800 . 3.800 2.982 2.574 3.695 . 0 0 "[ . 1 . 2 . 3 .]" 1
445 1 20 GLU HA 1 20 GLU HG3 3.400 . 4.900 3.704 3.202 3.790 . 0 0 "[ . 1 . 2 . 3 .]" 1
446 1 20 GLU HA 1 21 LYS H 2.100 . 2.700 2.186 2.105 2.734 0.034 8 0 "[ . 1 . 2 . 3 .]" 1
447 1 20 GLU HA 1 21 LYS QB 4.400 . 6.000 4.342 4.006 4.602 . 0 0 "[ . 1 . 2 . 3 .]" 1
448 1 20 GLU HA 1 21 LYS HG2 3.300 . 4.700 3.247 1.998 4.110 . 0 0 "[ . 1 . 2 . 3 .]" 1
449 1 20 GLU QB 1 21 LYS H 3.800 . 5.600 2.943 2.478 3.664 . 0 0 "[ . 1 . 2 . 3 .]" 1
450 1 20 GLU QB 1 23 CYS H 3.200 . 4.500 3.313 2.493 3.669 . 0 0 "[ . 1 . 2 . 3 .]" 1
451 1 20 GLU QB 1 23 CYS HB2 2.800 . 3.800 2.129 1.727 3.305 0.073 15 0 "[ . 1 . 2 . 3 .]" 1
452 1 20 GLU HB2 1 20 GLU HG2 2.900 . 4.000 2.452 2.337 2.534 . 0 0 "[ . 1 . 2 . 3 .]" 1
453 1 20 GLU HB2 1 23 CYS H 3.200 . 4.500 3.841 2.794 4.926 0.426 15 0 "[ . 1 . 2 . 3 .]" 1
454 1 20 GLU HB2 1 23 CYS HB3 3.400 . 4.800 3.316 1.898 4.665 0.102 2 0 "[ . 1 . 2 . 3 .]" 1
455 1 20 GLU HB3 1 20 GLU HG2 2.400 . 3.100 2.992 2.485 3.013 . 0 0 "[ . 1 . 2 . 3 .]" 1
456 1 20 GLU HB3 1 21 LYS H 4.000 . 6.000 3.158 2.778 4.386 . 0 0 "[ . 1 . 2 . 3 .]" 1
457 1 20 GLU HB3 1 23 CYS H 3.400 . 4.800 3.702 2.802 4.397 . 0 0 "[ . 1 . 2 . 3 .]" 1
458 1 20 GLU HB3 1 23 CYS HB3 3.500 . 5.000 3.741 1.833 4.528 0.167 16 0 "[ . 1 . 2 . 3 .]" 1
459 1 20 GLU HG3 1 23 CYS H 4.500 . 6.000 5.664 3.744 6.144 0.144 28 0 "[ . 1 . 2 . 3 .]" 1
460 1 21 LYS H 1 21 LYS HA 2.600 . 3.400 2.811 2.264 2.909 . 0 0 "[ . 1 . 2 . 3 .]" 1
461 1 21 LYS H 1 21 LYS QB 2.600 . 3.500 2.449 2.212 3.261 . 0 0 "[ . 1 . 2 . 3 .]" 1
462 1 21 LYS H 1 21 LYS HG2 3.400 . 4.800 3.310 1.868 4.562 0.132 6 0 "[ . 1 . 2 . 3 .]" 1
463 1 21 LYS H 1 21 LYS HG3 3.100 . 4.300 3.240 1.839 4.495 0.195 29 0 "[ . 1 . 2 . 3 .]" 1
464 1 21 LYS HA 1 21 LYS QD 3.600 . 5.200 3.638 1.952 4.506 0.048 21 0 "[ . 1 . 2 . 3 .]" 1
465 1 21 LYS HA 1 23 CYS H 3.700 . 5.400 3.859 3.290 5.025 . 0 0 "[ . 1 . 2 . 3 .]" 1
466 1 21 LYS QD 1 21 LYS QE 2.200 . 2.800 2.027 1.995 2.092 . 0 0 "[ . 1 . 2 . 3 .]" 1
467 1 21 LYS QE 1 21 LYS HG3 3.600 . 5.200 2.799 2.278 3.532 . 0 0 "[ . 1 . 2 . 3 .]" 1
468 1 22 ILE H 1 22 ILE HA 2.500 . 3.300 2.499 2.226 2.943 . 0 0 "[ . 1 . 2 . 3 .]" 1
469 1 22 ILE H 1 22 ILE HB 2.300 . 2.900 2.828 2.077 3.203 0.303 34 0 "[ . 1 . 2 . 3 .]" 1
470 1 22 ILE H 1 22 ILE HG13 2.000 . 2.500 2.402 1.650 2.676 0.176 29 0 "[ . 1 . 2 . 3 .]" 1
471 1 22 ILE H 1 22 ILE MG 2.300 . 3.000 1.751 1.568 2.208 0.032 19 0 "[ . 1 . 2 . 3 .]" 1
472 1 22 ILE H 1 23 CYS HA 3.700 . 5.400 3.751 3.252 4.130 . 0 0 "[ . 1 . 2 . 3 .]" 1
473 1 22 ILE H 1 43 ALA MB 2.900 . 4.000 3.082 1.904 3.607 . 0 0 "[ . 1 . 2 . 3 .]" 1
474 1 22 ILE H 1 43 ALA MB 2.600 . 3.400 3.111 1.905 3.658 0.258 33 0 "[ . 1 . 2 . 3 .]" 1
475 1 22 ILE HA 1 22 ILE HB 2.300 . 3.000 2.592 2.433 2.810 . 0 0 "[ . 1 . 2 . 3 .]" 1
476 1 22 ILE HA 1 22 ILE MD 4.000 . 6.000 3.353 2.102 3.757 . 0 0 "[ . 1 . 2 . 3 .]" 1
477 1 22 ILE HA 1 22 ILE QG 2.000 . 2.500 2.238 2.090 2.451 . 0 0 "[ . 1 . 2 . 3 .]" 1
478 1 22 ILE HA 1 22 ILE MG 4.000 . 6.000 3.175 3.032 3.222 . 0 0 "[ . 1 . 2 . 3 .]" 1
479 1 22 ILE HA 1 23 CYS H 3.000 . 4.100 3.009 2.680 3.548 . 0 0 "[ . 1 . 2 . 3 .]" 1
480 1 22 ILE HA 1 43 ALA MB 2.700 . 3.600 1.988 1.676 2.558 0.124 29 0 "[ . 1 . 2 . 3 .]" 1
481 1 22 ILE HA 1 39 ASN H 3.600 . 5.300 4.637 4.041 5.587 0.287 16 0 "[ . 1 . 2 . 3 .]" 1
482 1 22 ILE HA 1 39 ASN HD22 3.300 . 4.600 2.721 1.972 5.003 0.403 21 0 "[ . 1 . 2 . 3 .]" 1
483 1 22 ILE HA 1 43 ALA HA 3.700 . 5.500 3.956 1.883 5.212 0.017 18 0 "[ . 1 . 2 . 3 .]" 1
484 1 22 ILE HB 1 22 ILE MD 2.700 . 3.600 2.535 2.247 3.249 . 0 0 "[ . 1 . 2 . 3 .]" 1
485 1 22 ILE HB 1 22 ILE QG 2.000 . 2.500 2.348 2.163 2.440 . 0 0 "[ . 1 . 2 . 3 .]" 1
486 1 22 ILE HB 1 23 CYS H 4.200 . 6.000 4.350 3.500 4.642 . 0 0 "[ . 1 . 2 . 3 .]" 1
487 1 22 ILE HB 1 43 ALA MB 2.800 . 3.800 2.929 1.797 3.842 0.042 18 0 "[ . 1 . 2 . 3 .]" 1
488 1 22 ILE MD 1 22 ILE QG 2.000 . 2.500 1.861 1.840 1.887 . 0 0 "[ . 1 . 2 . 3 .]" 1
489 1 22 ILE MD 1 23 CYS H 4.400 . 6.000 5.247 3.738 5.630 . 0 0 "[ . 1 . 2 . 3 .]" 1
490 1 22 ILE MD 1 38 PHE HA 4.700 . 6.000 5.173 3.580 6.050 0.050 2 0 "[ . 1 . 2 . 3 .]" 1
491 1 22 ILE MD 1 38 PHE QR 2.400 . 3.100 2.056 1.733 2.445 . 0 0 "[ . 1 . 2 . 3 .]" 1
492 1 22 ILE QG 1 22 ILE MG 2.100 . 2.700 2.264 2.077 2.367 . 0 0 "[ . 1 . 2 . 3 .]" 1
493 1 22 ILE QG 1 23 CYS H 3.600 . 5.200 4.479 4.198 4.962 . 0 0 "[ . 1 . 2 . 3 .]" 1
494 1 22 ILE QG 1 23 CYS HA 3.900 . 5.800 4.728 4.088 5.798 . 0 0 "[ . 1 . 2 . 3 .]" 1
495 1 22 ILE QG 1 38 PHE HA 3.800 . 5.600 4.744 3.890 5.645 0.045 16 0 "[ . 1 . 2 . 3 .]" 1
496 1 22 ILE QG 1 39 ASN H 3.500 . 5.000 3.894 2.869 5.049 0.049 35 0 "[ . 1 . 2 . 3 .]" 1
497 1 22 ILE QG 1 39 ASN HD21 3.600 . 5.200 4.509 2.816 5.289 0.089 20 0 "[ . 1 . 2 . 3 .]" 1
498 1 22 ILE QG 1 40 SER H 3.400 . 4.900 3.616 1.850 4.952 0.052 5 0 "[ . 1 . 2 . 3 .]" 1
499 1 22 ILE QG 1 41 THR HA 3.200 . 4.500 4.230 3.263 4.585 0.085 29 0 "[ . 1 . 2 . 3 .]" 1
500 1 22 ILE QG 1 43 ALA HA 3.400 . 4.800 4.266 2.268 4.910 0.110 13 0 "[ . 1 . 2 . 3 .]" 1
501 1 22 ILE QG 1 43 ALA MB 2.500 . 3.300 2.371 1.697 3.228 0.003 5 0 "[ . 1 . 2 . 3 .]" 1
502 1 22 ILE MG 1 23 CYS H 3.600 . 5.200 3.424 2.021 3.886 . 0 0 "[ . 1 . 2 . 3 .]" 1
503 1 23 CYS H 1 23 CYS HA 2.700 . 3.600 2.922 2.825 2.953 . 0 0 "[ . 1 . 2 . 3 .]" 1
504 1 23 CYS H 1 23 CYS HB2 2.900 . 4.000 2.743 2.461 3.584 . 0 0 "[ . 1 . 2 . 3 .]" 1
505 1 23 CYS H 1 23 CYS HB3 3.100 . 4.300 3.601 2.262 3.887 . 0 0 "[ . 1 . 2 . 3 .]" 1
506 1 23 CYS H 1 24 SER H 4.200 . 6.000 4.432 4.218 4.626 . 0 0 "[ . 1 . 2 . 3 .]" 1
507 1 23 CYS HA 1 23 CYS HB2 2.900 . 4.000 2.931 2.321 3.035 . 0 0 "[ . 1 . 2 . 3 .]" 1
508 1 23 CYS HA 1 23 CYS HB3 2.500 . 3.300 2.559 2.421 3.020 . 0 0 "[ . 1 . 2 . 3 .]" 1
509 1 23 CYS HA 1 24 SER H 2.000 . 2.500 2.273 2.191 2.445 . 0 0 "[ . 1 . 2 . 3 .]" 1
510 1 23 CYS HA 1 24 SER HA 4.100 . 6.000 4.432 4.344 4.509 . 0 0 "[ . 1 . 2 . 3 .]" 1
511 1 23 CYS HA 1 37 GLN H 4.100 . 6.000 4.664 4.212 5.355 . 0 0 "[ . 1 . 2 . 3 .]" 1
512 1 23 CYS HA 1 38 PHE HA 2.500 . 3.300 2.879 2.445 3.307 0.007 33 0 "[ . 1 . 2 . 3 .]" 1
513 1 23 CYS HA 1 38 PHE QR 3.300 . 4.600 3.861 3.275 4.343 . 0 0 "[ . 1 . 2 . 3 .]" 1
514 1 23 CYS HA 1 39 ASN H 2.300 . 3.000 2.787 1.838 3.112 0.112 35 0 "[ . 1 . 2 . 3 .]" 1
515 1 23 CYS HA 1 39 ASN HB2 3.900 . 5.800 5.137 2.418 5.877 0.077 17 0 "[ . 1 . 2 . 3 .]" 1
516 1 23 CYS HA 1 39 ASN HB3 3.700 . 5.400 4.128 3.187 5.860 0.460 29 0 "[ . 1 . 2 . 3 .]" 1
517 1 23 CYS HB2 1 24 SER H 3.000 . 4.100 3.929 3.627 4.121 0.021 34 0 "[ . 1 . 2 . 3 .]" 1
518 1 23 CYS HB3 1 24 SER H 2.800 . 3.800 3.038 2.436 4.180 0.380 10 0 "[ . 1 . 2 . 3 .]" 1
519 1 23 CYS HB3 1 37 GLN H 3.800 . 5.600 4.293 3.092 6.402 0.802 16 4 "[ . - * .+ 2 . * 3 .]" 1
520 1 23 CYS HB3 1 38 PHE HA 3.900 . 5.800 4.611 3.440 5.686 . 0 0 "[ . 1 . 2 . 3 .]" 1
521 1 23 CYS HB3 1 39 ASN H 4.700 . 6.000 5.204 4.156 6.044 0.044 16 0 "[ . 1 . 2 . 3 .]" 1
522 1 24 SER H 1 24 SER HA 2.500 . 3.300 2.932 2.893 2.952 . 0 0 "[ . 1 . 2 . 3 .]" 1
523 1 24 SER H 1 24 SER HB2 3.200 . 4.500 3.050 2.641 3.829 . 0 0 "[ . 1 . 2 . 3 .]" 1
524 1 24 SER H 1 24 SER HB3 2.800 . 3.800 3.178 2.552 3.925 0.125 2 0 "[ . 1 . 2 . 3 .]" 1
525 1 24 SER H 1 36 CYS HA 3.900 . 5.800 4.464 4.003 5.066 . 0 0 "[ . 1 . 2 . 3 .]" 1
526 1 24 SER H 1 37 GLN H 2.600 . 3.400 3.100 2.725 3.500 0.100 2 0 "[ . 1 . 2 . 3 .]" 1
527 1 24 SER H 1 37 GLN QE 3.700 . 5.400 3.612 2.806 4.391 . 0 0 "[ . 1 . 2 . 3 .]" 1
528 1 24 SER H 1 38 PHE HA 3.500 . 5.000 3.963 3.412 4.469 . 0 0 "[ . 1 . 2 . 3 .]" 1
529 1 24 SER H 1 39 ASN H 3.700 . 5.400 3.662 3.315 3.931 . 0 0 "[ . 1 . 2 . 3 .]" 1
530 1 24 SER H 1 39 ASN HB2 4.000 . 6.000 4.992 2.838 5.776 . 0 0 "[ . 1 . 2 . 3 .]" 1
531 1 24 SER H 1 39 ASN HB3 3.600 . 5.200 3.833 2.954 6.006 0.806 29 1 "[ . 1 . 2 . +3 .]" 1
532 1 24 SER HA 1 24 SER HB2 2.300 . 2.900 2.679 2.410 3.031 0.131 8 0 "[ . 1 . 2 . 3 .]" 1
533 1 24 SER HA 1 24 SER HB3 2.500 . 3.300 2.802 2.368 3.033 . 0 0 "[ . 1 . 2 . 3 .]" 1
534 1 24 SER HA 1 25 TRP H 2.000 . 2.500 2.238 2.189 2.297 . 0 0 "[ . 1 . 2 . 3 .]" 1
535 1 24 SER HA 1 25 TRP QB 5.000 . 6.000 4.044 3.980 4.118 . 0 0 "[ . 1 . 2 . 3 .]" 1
536 1 24 SER HB2 1 25 TRP H 3.100 . 4.300 3.956 2.708 4.307 0.007 33 0 "[ . 1 . 2 . 3 .]" 1
537 1 24 SER HB2 1 37 GLN QE 4.600 . 6.000 3.796 2.144 5.656 . 0 0 "[ . 1 . 2 . 3 .]" 1
538 1 24 SER HB2 1 39 ASN HB2 3.600 . 5.200 3.508 1.874 4.591 0.126 33 0 "[ . 1 . 2 . 3 .]" 1
539 1 24 SER HB2 1 39 ASN HB3 3.100 . 4.300 2.649 1.816 4.657 0.357 29 0 "[ . 1 . 2 . 3 .]" 1
540 1 24 SER HB2 1 39 ASN HD21 3.100 . 4.300 2.796 1.893 4.371 0.071 3 0 "[ . 1 . 2 . 3 .]" 1
541 1 24 SER HB2 1 39 ASN HD22 4.000 . 6.000 4.085 1.979 5.293 0.021 29 0 "[ . 1 . 2 . 3 .]" 1
542 1 24 SER HB3 1 25 TRP H 3.300 . 4.600 3.544 2.664 4.165 . 0 0 "[ . 1 . 2 . 3 .]" 1
543 1 24 SER HB3 1 37 GLN QE 3.700 . 5.400 3.227 1.841 4.949 0.159 23 0 "[ . 1 . 2 . 3 .]" 1
544 1 24 SER HB3 1 39 ASN HB2 3.500 . 5.000 4.069 2.394 5.232 0.232 5 0 "[ . 1 . 2 . 3 .]" 1
545 1 24 SER HB3 1 39 ASN HB3 3.100 . 4.300 3.260 1.887 5.097 0.797 29 5 "[ . 1 . *- * * +3 .]" 1
546 1 24 SER HB3 1 39 ASN HD21 3.400 . 4.900 3.736 1.860 4.957 0.057 3 0 "[ . 1 . 2 . 3 .]" 1
547 1 24 SER HB3 1 39 ASN HD22 4.400 . 6.000 5.031 3.487 6.014 0.014 13 0 "[ . 1 . 2 . 3 .]" 1
548 1 25 TRP H 1 25 TRP HA 2.800 . 3.800 2.873 2.794 2.906 . 0 0 "[ . 1 . 2 . 3 .]" 1
549 1 25 TRP H 1 25 TRP QB 2.300 . 3.000 2.290 2.196 2.357 . 0 0 "[ . 1 . 2 . 3 .]" 1
550 1 25 TRP H 1 25 TRP HD1 4.600 . 6.000 5.144 5.037 5.294 . 0 0 "[ . 1 . 2 . 3 .]" 1
551 1 25 TRP H 1 25 TRP HE3 4.300 . 6.000 4.469 4.101 4.684 . 0 0 "[ . 1 . 2 . 3 .]" 1
552 1 25 TRP H 1 37 GLN QE 4.000 . 6.000 4.375 3.883 4.972 . 0 0 "[ . 1 . 2 . 3 .]" 1
553 1 25 TRP HA 1 25 TRP QB . . 3.300 2.411 2.385 2.446 . 0 0 "[ . 1 . 2 . 3 .]" 1
554 1 25 TRP HA 1 25 TRP HD1 3.700 . 5.400 4.428 4.314 4.520 . 0 0 "[ . 1 . 2 . 3 .]" 1
555 1 25 TRP HA 1 25 TRP HE3 2.300 . 3.000 2.462 2.076 2.757 . 0 0 "[ . 1 . 2 . 3 .]" 1
556 1 25 TRP HA 1 26 HIS H 2.000 . 2.500 2.165 2.028 2.551 0.051 14 0 "[ . 1 . 2 . 3 .]" 1
557 1 25 TRP HA 1 26 HIS HB2 4.400 . 6.000 4.103 3.715 4.463 . 0 0 "[ . 1 . 2 . 3 .]" 1
558 1 25 TRP HA 1 35 ASN HB3 4.100 . 6.000 4.377 3.899 4.835 . 0 0 "[ . 1 . 2 . 3 .]" 1
559 1 25 TRP HA 1 36 CYS HA 2.400 . 3.100 2.674 2.233 3.024 . 0 0 "[ . 1 . 2 . 3 .]" 1
560 1 25 TRP HA 1 37 GLN H 3.500 . 5.000 3.836 3.483 4.229 . 0 0 "[ . 1 . 2 . 3 .]" 1
561 1 25 TRP HA 1 37 GLN QE 2.700 . 3.600 3.458 3.066 3.628 0.028 6 0 "[ . 1 . 2 . 3 .]" 1
562 1 25 TRP QB 1 25 TRP HD1 2.100 . 2.600 2.515 2.494 2.548 . 0 0 "[ . 1 . 2 . 3 .]" 1
563 1 25 TRP QB 1 25 TRP HE1 4.500 . 6.000 4.395 4.376 4.418 . 0 0 "[ . 1 . 2 . 3 .]" 1
564 1 25 TRP QB 1 25 TRP HE3 2.300 . 3.000 2.826 2.704 2.991 . 0 0 "[ . 1 . 2 . 3 .]" 1
565 1 25 TRP QB 1 26 HIS H 4.000 . 6.000 3.525 2.847 3.809 . 0 0 "[ . 1 . 2 . 3 .]" 1
566 1 25 TRP QB 1 26 HIS H 2.600 . 3.400 2.606 2.382 2.724 . 0 0 "[ . 1 . 2 . 3 .]" 1
567 1 25 TRP QB 1 36 CYS HA 4.600 . 6.000 4.545 4.209 4.958 . 0 0 "[ . 1 . 2 . 3 .]" 1
568 1 25 TRP HD1 1 26 HIS H 3.400 . 4.800 4.140 3.089 4.753 . 0 0 "[ . 1 . 2 . 3 .]" 1
569 1 25 TRP HD1 1 26 HIS HA 3.700 . 5.400 4.891 4.405 5.383 . 0 0 "[ . 1 . 2 . 3 .]" 1
570 1 25 TRP HD1 1 27 LYS H 3.500 . 5.100 3.315 2.747 3.980 . 0 0 "[ . 1 . 2 . 3 .]" 1
571 1 25 TRP HD1 1 27 LYS HA 2.800 . 3.800 3.069 2.059 3.835 0.035 35 0 "[ . 1 . 2 . 3 .]" 1
572 1 25 TRP HD1 1 27 LYS QB 3.700 . 5.400 3.735 3.220 4.114 . 0 0 "[ . 1 . 2 . 3 .]" 1
573 1 25 TRP HD1 1 27 LYS QD 4.000 . 6.000 3.605 3.008 4.155 . 0 0 "[ . 1 . 2 . 3 .]" 1
574 1 25 TRP HD1 1 27 LYS QE 4.000 . 6.000 3.855 2.749 4.889 . 0 0 "[ . 1 . 2 . 3 .]" 1
575 1 25 TRP HD1 1 27 LYS HG2 2.400 . 3.100 2.040 1.614 3.102 0.086 22 0 "[ . 1 . 2 . 3 .]" 1
576 1 25 TRP HD1 1 27 LYS HG3 2.500 . 3.300 2.322 1.654 3.056 0.046 35 0 "[ . 1 . 2 . 3 .]" 1
577 1 25 TRP HD1 1 35 ASN HB3 3.600 . 5.200 5.111 4.620 5.317 0.117 24 0 "[ . 1 . 2 . 3 .]" 1
578 1 25 TRP HE1 1 27 LYS HA 2.500 . 3.300 2.707 2.122 3.314 0.014 23 0 "[ . 1 . 2 . 3 .]" 1
579 1 25 TRP HE1 1 27 LYS QB 3.800 . 5.600 4.105 3.628 4.596 . 0 0 "[ . 1 . 2 . 3 .]" 1
580 1 25 TRP HE1 1 27 LYS QD 2.500 . 6.000 4.816 3.484 5.940 . 0 0 "[ . 1 . 2 . 3 .]" 1
581 1 25 TRP HE1 1 27 LYS HG2 3.000 . 4.100 2.990 2.141 3.972 . 0 0 "[ . 1 . 2 . 3 .]" 1
582 1 25 TRP HE1 1 27 LYS HG3 4.200 . 6.000 4.152 2.474 5.261 . 0 0 "[ . 1 . 2 . 3 .]" 1
583 1 25 TRP HE1 1 35 ASN HB3 3.400 . 4.900 3.984 3.637 4.190 . 0 0 "[ . 1 . 2 . 3 .]" 1
584 1 25 TRP HE1 1 35 ASN HD21 3.300 . 4.600 3.082 2.447 3.715 . 0 0 "[ . 1 . 2 . 3 .]" 1
585 1 25 TRP HE1 1 35 ASN HD22 4.500 . 6.000 4.411 3.672 5.235 . 0 0 "[ . 1 . 2 . 3 .]" 1
586 1 25 TRP HE3 1 35 ASN HB2 3.400 . 4.900 3.682 3.376 3.881 . 0 0 "[ . 1 . 2 . 3 .]" 1
587 1 25 TRP HE3 1 26 HIS H 3.800 . 5.600 3.854 3.540 4.247 . 0 0 "[ . 1 . 2 . 3 .]" 1
588 1 25 TRP HE3 1 35 ASN HB2 3.900 . 5.800 4.816 4.457 5.211 . 0 0 "[ . 1 . 2 . 3 .]" 1
589 1 25 TRP HE3 1 35 ASN HB3 3.400 . 4.800 4.071 3.842 4.388 . 0 0 "[ . 1 . 2 . 3 .]" 1
590 1 25 TRP HE3 1 36 CYS HA 2.600 . 3.400 2.920 2.557 3.404 0.004 18 0 "[ . 1 . 2 . 3 .]" 1
591 1 25 TRP HE3 1 36 CYS HB2 2.600 . 3.400 2.629 1.969 3.093 . 0 0 "[ . 1 . 2 . 3 .]" 1
592 1 25 TRP HE3 1 36 CYS HB3 3.600 . 5.200 4.267 3.649 4.630 . 0 0 "[ . 1 . 2 . 3 .]" 1
593 1 25 TRP HE3 1 37 GLN H 4.700 . 6.000 4.813 4.404 5.194 . 0 0 "[ . 1 . 2 . 3 .]" 1
594 1 25 TRP HH2 1 25 TRP HZ3 1.900 . 2.400 2.433 2.428 2.437 0.037 7 0 "[ . 1 . 2 . 3 .]" 1
595 1 25 TRP HH2 1 35 ASN HB2 2.900 . 3.900 3.098 2.865 3.417 . 0 0 "[ . 1 . 2 . 3 .]" 1
596 1 25 TRP HH2 1 35 ASN HB3 3.400 . 4.900 3.311 3.027 3.744 . 0 0 "[ . 1 . 2 . 3 .]" 1
597 1 25 TRP HH2 1 36 CYS HA 4.600 . 6.000 5.732 5.429 6.026 0.026 29 0 "[ . 1 . 2 . 3 .]" 1
598 1 25 TRP HH2 1 36 CYS HB2 3.600 . 5.200 4.096 3.784 4.368 . 0 0 "[ . 1 . 2 . 3 .]" 1
599 1 25 TRP HZ2 1 27 LYS HA 4.200 . 6.000 4.828 4.216 5.550 . 0 0 "[ . 1 . 2 . 3 .]" 1
600 1 25 TRP HZ2 1 35 ASN HB3 2.400 . 3.100 3.070 2.725 3.225 0.125 20 0 "[ . 1 . 2 . 3 .]" 1
601 1 25 TRP HZ2 1 35 ASN HD22 3.900 . 5.800 3.890 3.426 4.417 . 0 0 "[ . 1 . 2 . 3 .]" 1
602 1 25 TRP HZ3 1 35 ASN HB2 2.900 . 4.000 3.706 3.398 4.028 0.028 4 0 "[ . 1 . 2 . 3 .]" 1
603 1 25 TRP HZ3 1 35 ASN HB3 3.000 . 4.100 3.801 3.513 4.096 . 0 0 "[ . 1 . 2 . 3 .]" 1
604 1 26 HIS H 1 26 HIS HA 2.700 . 3.600 2.928 2.873 2.953 . 0 0 "[ . 1 . 2 . 3 .]" 1
605 1 26 HIS H 1 26 HIS HB2 2.400 . 3.100 2.669 2.250 3.153 0.053 7 0 "[ . 1 . 2 . 3 .]" 1
606 1 26 HIS H 1 35 ASN HA 2.900 . 3.900 3.057 2.758 3.504 . 0 0 "[ . 1 . 2 . 3 .]" 1
607 1 26 HIS H 1 35 ASN HB2 4.300 . 6.000 4.676 4.250 5.033 . 0 0 "[ . 1 . 2 . 3 .]" 1
608 1 26 HIS H 1 35 ASN HB3 2.600 . 3.400 3.355 2.914 3.544 0.144 18 0 "[ . 1 . 2 . 3 .]" 1
609 1 26 HIS H 1 35 ASN HD21 3.800 . 5.600 4.371 3.936 4.782 . 0 0 "[ . 1 . 2 . 3 .]" 1
610 1 26 HIS H 1 36 CYS HA 3.200 . 4.500 3.464 2.835 4.338 . 0 0 "[ . 1 . 2 . 3 .]" 1
611 1 26 HIS H 1 37 GLN QE 2.800 . 3.800 3.271 2.275 3.764 . 0 0 "[ . 1 . 2 . 3 .]" 1
612 1 26 HIS HA 1 26 HIS HB2 2.400 . 3.100 2.598 2.481 2.705 . 0 0 "[ . 1 . 2 . 3 .]" 1
613 1 26 HIS HA 1 26 HIS HB3 2.500 . 3.300 3.017 2.981 3.036 . 0 0 "[ . 1 . 2 . 3 .]" 1
614 1 26 HIS HA 1 27 LYS H 2.000 . 2.500 2.351 2.179 2.509 0.009 35 0 "[ . 1 . 2 . 3 .]" 1
615 1 26 HIS HA 1 27 LYS QB 4.600 . 6.000 4.509 4.318 4.614 . 0 0 "[ . 1 . 2 . 3 .]" 1
616 1 26 HIS HA 1 27 LYS QB 2.600 . 3.500 2.367 2.166 2.455 . 0 0 "[ . 1 . 2 . 3 .]" 1
617 1 26 HIS HA 1 28 GLU H 4.100 . 6.000 4.205 3.781 4.799 . 0 0 "[ . 1 . 2 . 3 .]" 1
618 1 26 HIS HB2 1 26 HIS HD2 3.000 . 4.200 2.667 2.641 2.711 . 0 0 "[ . 1 . 2 . 3 .]" 1
619 1 26 HIS HB2 1 27 LYS H 4.400 . 6.000 4.631 4.491 4.677 . 0 0 "[ . 1 . 2 . 3 .]" 1
620 1 26 HIS HB2 1 29 VAL MG1 3.300 . 4.600 3.830 3.336 4.542 . 0 0 "[ . 1 . 2 . 3 .]" 1
621 1 26 HIS HB2 1 35 ASN HA 3.400 . 4.900 3.207 2.244 3.939 . 0 0 "[ . 1 . 2 . 3 .]" 1
622 1 26 HIS HB2 1 37 GLN QE 2.300 . 3.000 2.202 1.347 3.015 0.253 24 0 "[ . 1 . 2 . 3 .]" 1
623 1 26 HIS HB3 1 26 HIS HD2 3.700 . 5.400 3.587 3.471 3.746 . 0 0 "[ . 1 . 2 . 3 .]" 1
624 1 26 HIS HB3 1 27 LYS H 3.500 . 5.000 4.368 4.239 4.464 . 0 0 "[ . 1 . 2 . 3 .]" 1
625 1 26 HIS HB3 1 28 GLU H 3.300 . 6.000 5.256 3.515 6.013 0.013 30 0 "[ . 1 . 2 . 3 .]" 1
626 1 26 HIS HB3 1 29 VAL MG1 2.300 . 3.000 2.630 2.140 3.203 0.203 28 0 "[ . 1 . 2 . 3 .]" 1
627 1 26 HIS HB3 1 35 ASN HA 1.700 . 2.200 1.777 1.341 2.269 0.069 18 0 "[ . 1 . 2 . 3 .]" 1
628 1 26 HIS HB3 1 37 GLN QE 3.400 . 4.800 3.653 2.506 4.407 . 0 0 "[ . 1 . 2 . 3 .]" 1
629 1 26 HIS HD2 1 33 GLU QB 3.500 . 5.000 4.211 3.813 4.753 . 0 0 "[ . 1 . 2 . 3 .]" 1
630 1 26 HIS HD2 1 34 LYS H 3.200 . 4.500 4.548 4.317 4.602 0.102 8 0 "[ . 1 . 2 . 3 .]" 1
631 1 26 HIS HD2 1 35 ASN HA 4.300 . 6.000 5.082 4.330 5.707 . 0 0 "[ . 1 . 2 . 3 .]" 1
632 1 26 HIS HD2 1 37 GLN HB2 2.700 . 6.000 4.939 4.272 5.860 . 0 0 "[ . 1 . 2 . 3 .]" 1
633 1 26 HIS HD2 1 37 GLN QG 2.600 . 3.500 2.762 1.988 3.501 0.001 5 0 "[ . 1 . 2 . 3 .]" 1
634 1 26 HIS HE1 1 28 GLU HB3 3.400 . 4.800 4.303 2.146 5.095 0.295 29 0 "[ . 1 . 2 . 3 .]" 1
635 1 26 HIS HE1 1 28 GLU HB3 4.200 . 6.000 3.649 2.123 4.258 . 0 0 "[ . 1 . 2 . 3 .]" 1
636 1 26 HIS HE1 1 28 GLU QG 3.300 . 4.700 4.219 2.616 4.776 0.076 22 0 "[ . 1 . 2 . 3 .]" 1
637 1 26 HIS HE1 1 29 VAL HA 3.700 . 5.400 2.923 2.092 4.249 . 0 0 "[ . 1 . 2 . 3 .]" 1
638 1 26 HIS HE1 1 29 VAL QG 3.100 . 4.300 3.557 3.121 4.393 0.093 11 0 "[ . 1 . 2 . 3 .]" 1
639 1 26 HIS HE1 1 33 GLU QB 3.700 . 5.400 4.057 3.359 4.687 . 0 0 "[ . 1 . 2 . 3 .]" 1
640 1 26 HIS HE1 1 33 GLU QB 2.000 . 6.000 3.902 2.666 4.532 . 0 0 "[ . 1 . 2 . 3 .]" 1
641 1 26 HIS HE1 1 33 GLU QB 3.500 . 5.100 3.571 2.646 4.329 . 0 0 "[ . 1 . 2 . 3 .]" 1
642 1 26 HIS HE1 1 33 GLU QG 3.600 . 5.200 4.091 2.741 5.313 0.113 21 0 "[ . 1 . 2 . 3 .]" 1
643 1 26 HIS HE1 1 34 LYS H 4.300 . 6.000 5.816 5.096 6.102 0.102 20 0 "[ . 1 . 2 . 3 .]" 1
644 1 26 HIS HE1 1 35 ASN HA 5.000 . 6.000 6.097 5.388 6.205 0.205 16 0 "[ . 1 . 2 . 3 .]" 1
645 1 27 LYS H 1 27 LYS HA 2.600 . 3.500 2.749 2.641 2.880 . 0 0 "[ . 1 . 2 . 3 .]" 1
646 1 27 LYS H 1 27 LYS QB 2.300 . 3.000 2.512 2.287 2.687 . 0 0 "[ . 1 . 2 . 3 .]" 1
647 1 27 LYS H 1 27 LYS QD 4.900 . 6.000 3.862 3.519 4.324 . 0 0 "[ . 1 . 2 . 3 .]" 1
648 1 27 LYS H 1 27 LYS HG2 4.000 . 6.000 3.308 2.963 3.831 . 0 0 "[ . 1 . 2 . 3 .]" 1
649 1 27 LYS H 1 27 LYS HG3 2.600 . 3.400 2.121 1.854 2.704 . 0 0 "[ . 1 . 2 . 3 .]" 1
650 1 27 LYS H 1 28 GLU H 2.600 . 3.500 3.084 2.737 3.551 0.051 11 0 "[ . 1 . 2 . 3 .]" 1
651 1 27 LYS HA 1 27 LYS QB 2.100 . 2.700 2.375 2.336 2.461 . 0 0 "[ . 1 . 2 . 3 .]" 1
652 1 27 LYS HA 1 27 LYS QD 4.300 . 6.000 4.082 3.963 4.263 . 0 0 "[ . 1 . 2 . 3 .]" 1
653 1 27 LYS HA 1 27 LYS HG2 2.600 . 3.400 2.553 2.427 2.699 . 0 0 "[ . 1 . 2 . 3 .]" 1
654 1 27 LYS HA 1 27 LYS HG3 3.300 . 4.600 3.054 2.810 3.239 . 0 0 "[ . 1 . 2 . 3 .]" 1
655 1 27 LYS HA 1 28 GLU H 3.100 . 4.300 3.491 2.550 3.590 . 0 0 "[ . 1 . 2 . 3 .]" 1
656 1 27 LYS HA 1 28 GLU H 3.100 . 4.300 2.197 1.843 2.643 0.057 26 0 "[ . 1 . 2 . 3 .]" 1
657 1 27 LYS HA 1 29 VAL QG 3.400 . 4.900 3.777 3.363 4.237 . 0 0 "[ . 1 . 2 . 3 .]" 1
658 1 27 LYS HA 1 35 ASN HD21 2.500 . 3.300 3.155 2.597 3.366 0.066 11 0 "[ . 1 . 2 . 3 .]" 1
659 1 27 LYS HA 1 35 ASN HD22 3.300 . 4.700 4.058 3.556 4.477 . 0 0 "[ . 1 . 2 . 3 .]" 1
660 1 27 LYS QB 1 27 LYS QE 3.700 . 5.400 2.706 1.945 3.662 0.055 6 0 "[ . 1 . 2 . 3 .]" 1
661 1 27 LYS QB 1 29 VAL MG1 3.900 . 5.800 3.804 3.389 4.201 . 0 0 "[ . 1 . 2 . 3 .]" 1
662 1 27 LYS QD 1 27 LYS QE 2.100 . 2.700 2.035 1.997 2.092 . 0 0 "[ . 1 . 2 . 3 .]" 1
663 1 27 LYS QE 1 27 LYS HG2 3.100 . 4.300 2.823 2.279 3.514 . 0 0 "[ . 1 . 2 . 3 .]" 1
664 1 27 LYS QE 1 27 LYS HG3 3.200 . 4.500 2.867 2.298 3.518 . 0 0 "[ . 1 . 2 . 3 .]" 1
665 1 27 LYS HG2 1 29 VAL MG1 4.000 . 6.000 4.097 3.811 4.592 . 0 0 "[ . 1 . 2 . 3 .]" 1
666 1 27 LYS QG 1 29 VAL MG1 3.800 . 5.600 4.003 3.712 4.405 . 0 0 "[ . 1 . 2 . 3 .]" 1
667 1 28 GLU H 1 28 GLU HA 2.400 . 3.100 2.896 2.797 2.951 . 0 0 "[ . 1 . 2 . 3 .]" 1
668 1 28 GLU H 1 28 GLU HB2 2.400 . 3.100 2.741 2.229 3.560 0.460 29 0 "[ . 1 . 2 . 3 .]" 1
669 1 28 GLU H 1 28 GLU HB3 2.600 . 3.400 2.763 2.408 3.561 0.161 19 0 "[ . 1 . 2 . 3 .]" 1
670 1 28 GLU H 1 28 GLU QG 3.700 . 5.400 3.745 1.889 4.341 0.111 29 0 "[ . 1 . 2 . 3 .]" 1
671 1 28 GLU H 1 29 VAL H 3.400 . 4.800 4.162 3.490 4.569 . 0 0 "[ . 1 . 2 . 3 .]" 1
672 1 28 GLU H 1 29 VAL MG1 3.500 . 5.000 4.218 3.120 4.728 . 0 0 "[ . 1 . 2 . 3 .]" 1
673 1 28 GLU H 1 29 VAL QG 3.700 . 5.400 4.016 3.002 4.520 . 0 0 "[ . 1 . 2 . 3 .]" 1
674 1 28 GLU HA 1 28 GLU HB2 2.800 . 3.700 2.578 2.422 3.019 . 0 0 "[ . 1 . 2 . 3 .]" 1
675 1 28 GLU HA 1 28 GLU HB3 2.500 . 3.300 2.920 2.398 3.033 . 0 0 "[ . 1 . 2 . 3 .]" 1
676 1 28 GLU HA 1 28 GLU QG 3.100 . 4.300 2.667 2.315 3.361 . 0 0 "[ . 1 . 2 . 3 .]" 1
677 1 28 GLU HA 1 28 GLU QG 3.000 . 4.200 2.560 2.279 2.997 . 0 0 "[ . 1 . 2 . 3 .]" 1
678 1 28 GLU HA 1 29 VAL H 2.000 . 2.500 2.286 2.136 2.529 0.029 29 0 "[ . 1 . 2 . 3 .]" 1
679 1 28 GLU HA 1 29 VAL QG 3.400 . 4.800 3.414 3.146 3.701 . 0 0 "[ . 1 . 2 . 3 .]" 1
680 1 28 GLU HA 1 35 ASN HD22 4.300 . 6.000 5.310 3.948 6.096 0.096 27 0 "[ . 1 . 2 . 3 .]" 1
681 1 28 GLU HB2 1 29 VAL H 3.600 . 5.300 4.393 4.059 4.663 . 0 0 "[ . 1 . 2 . 3 .]" 1
682 1 28 GLU HB3 1 29 VAL H 4.100 . 6.000 4.208 3.466 4.631 . 0 0 "[ . 1 . 2 . 3 .]" 1
683 1 29 VAL H 1 29 VAL HA 2.400 . 3.100 2.903 2.789 2.950 . 0 0 "[ . 1 . 2 . 3 .]" 1
684 1 29 VAL H 1 29 VAL HB 3.300 . 4.700 3.715 2.966 3.881 . 0 0 "[ . 1 . 2 . 3 .]" 1
685 1 29 VAL H 1 29 VAL QG 2.100 . 2.600 1.990 1.628 2.352 . 0 0 "[ . 1 . 2 . 3 .]" 1
686 1 29 VAL H 1 30 LYS H 3.400 . 4.800 3.434 2.632 3.907 . 0 0 "[ . 1 . 2 . 3 .]" 1
687 1 29 VAL H 1 35 ASN HD22 3.900 . 5.800 4.528 3.820 5.653 . 0 0 "[ . 1 . 2 . 3 .]" 1
688 1 29 VAL HA 1 29 VAL HB 2.000 . 2.500 2.520 2.254 2.593 0.093 12 0 "[ . 1 . 2 . 3 .]" 1
689 1 29 VAL HA 1 29 VAL QG 2.100 . 2.600 2.188 1.994 2.538 . 0 0 "[ . 1 . 2 . 3 .]" 1
690 1 29 VAL HA 1 30 LYS H 1.800 . 2.200 2.136 2.072 2.217 0.017 18 0 "[ . 1 . 2 . 3 .]" 1
691 1 29 VAL HA 1 30 LYS HB2 4.300 . 6.000 4.425 4.112 4.751 . 0 0 "[ . 1 . 2 . 3 .]" 1
692 1 29 VAL HA 1 33 GLU QB 3.700 . 5.400 2.145 1.887 2.266 0.113 28 0 "[ . 1 . 2 . 3 .]" 1
693 1 29 VAL HA 1 33 GLU QB 3.000 . 4.100 3.175 2.032 3.937 . 0 0 "[ . 1 . 2 . 3 .]" 1
694 1 29 VAL HB 1 29 VAL QG 1.800 . 2.200 1.874 1.856 1.893 . 0 0 "[ . 1 . 2 . 3 .]" 1
695 1 29 VAL HB 1 30 LYS H 2.500 . 3.300 3.092 2.722 3.638 0.338 20 0 "[ . 1 . 2 . 3 .]" 1
696 1 29 VAL HB 1 33 GLU QB 2.100 . 2.600 2.142 1.590 2.388 0.010 6 0 "[ . 1 . 2 . 3 .]" 1
697 1 29 VAL QG 1 30 LYS HA 4.000 . 6.000 3.940 3.479 4.174 . 0 0 "[ . 1 . 2 . 3 .]" 1
698 1 29 VAL QG 1 33 GLU HG2 3.900 . 5.800 4.030 1.958 5.217 0.042 15 0 "[ . 1 . 2 . 3 .]" 1
699 1 29 VAL QG 1 30 LYS H 3.100 . 4.300 3.385 2.350 3.544 . 0 0 "[ . 1 . 2 . 3 .]" 1
700 1 29 VAL QG 1 30 LYS HA 4.000 . 6.000 4.196 3.493 4.409 . 0 0 "[ . 1 . 2 . 3 .]" 1
701 1 29 VAL MG1 1 30 LYS HB2 4.300 . 6.000 4.085 3.776 4.400 . 0 0 "[ . 1 . 2 . 3 .]" 1
702 1 29 VAL MG1 1 30 LYS HB3 4.000 . 6.000 2.563 1.794 3.627 0.206 20 0 "[ . 1 . 2 . 3 .]" 1
703 1 29 VAL QG 1 33 GLU QB 2.900 . 4.000 2.593 1.795 3.764 0.105 20 0 "[ . 1 . 2 . 3 .]" 1
704 1 29 VAL MG1 1 34 LYS QD 3.700 . 5.400 4.587 3.631 5.413 0.013 20 0 "[ . 1 . 2 . 3 .]" 1
705 1 30 LYS H 1 30 LYS HA 2.500 . 3.300 2.912 2.876 2.942 . 0 0 "[ . 1 . 2 . 3 .]" 1
706 1 30 LYS H 1 30 LYS HB2 2.300 . 3.000 2.758 2.254 3.150 0.150 11 0 "[ . 1 . 2 . 3 .]" 1
707 1 30 LYS H 1 30 LYS HB3 2.100 . 2.700 2.554 2.291 2.850 0.150 15 0 "[ . 1 . 2 . 3 .]" 1
708 1 30 LYS H 1 30 LYS QG 2.700 . 3.600 3.382 2.376 3.740 0.140 18 0 "[ . 1 . 2 . 3 .]" 1
709 1 30 LYS HA 1 30 LYS HB2 2.400 . 3.100 2.495 2.380 2.650 . 0 0 "[ . 1 . 2 . 3 .]" 1
710 1 30 LYS HA 1 30 LYS HB3 2.600 . 3.400 3.024 2.981 3.035 . 0 0 "[ . 1 . 2 . 3 .]" 1
711 1 30 LYS HA 1 30 LYS HG3 2.400 . 3.100 2.033 1.979 2.109 . 0 0 "[ . 1 . 2 . 3 .]" 1
712 1 30 LYS HA 1 31 ALA H 1.900 . 2.400 2.320 2.120 2.624 0.224 15 0 "[ . 1 . 2 . 3 .]" 1
713 1 30 LYS HA 1 31 ALA MB 4.100 . 6.000 3.969 3.616 4.332 . 0 0 "[ . 1 . 2 . 3 .]" 1
714 1 30 LYS HB2 1 31 ALA H 3.200 . 4.500 4.253 3.958 4.580 0.080 17 0 "[ . 1 . 2 . 3 .]" 1
715 1 30 LYS HB2 1 33 GLU H 4.700 . 6.000 5.593 4.767 6.918 0.918 34 1 "[ . 1 . 2 . 3 +.]" 1
716 1 30 LYS HB3 1 31 ALA H 3.100 . 4.300 4.077 3.737 4.390 0.090 20 0 "[ . 1 . 2 . 3 .]" 1
717 1 30 LYS HB3 1 33 GLU QG 2.200 . 2.800 1.948 1.778 2.080 . 0 0 "[ . 1 . 2 . 3 .]" 1
718 1 31 ALA H 1 31 ALA HA 2.400 . 3.100 2.576 2.239 2.839 . 0 0 "[ . 1 . 2 . 3 .]" 1
719 1 31 ALA H 1 31 ALA MB 2.000 . 2.500 2.393 2.032 2.799 0.299 18 0 "[ . 1 . 2 . 3 .]" 1
720 1 31 ALA H 1 32 GLY H 4.000 . 6.000 3.934 1.975 4.573 0.025 6 0 "[ . 1 . 2 . 3 .]" 1
721 1 31 ALA H 1 33 GLU H 4.000 . 6.000 4.567 2.255 5.090 . 0 0 "[ . 1 . 2 . 3 .]" 1
722 1 31 ALA HA 1 31 ALA MB 2.200 . 2.800 2.106 2.082 2.130 . 0 0 "[ . 1 . 2 . 3 .]" 1
723 1 31 ALA HA 1 33 GLU H 3.700 . 5.400 4.104 3.486 5.415 0.015 25 0 "[ . 1 . 2 . 3 .]" 1
724 1 31 ALA MB 1 32 GLY H 3.500 . 5.000 3.258 1.848 3.722 0.152 20 0 "[ . 1 . 2 . 3 .]" 1
725 1 31 ALA MB 1 32 GLY HA2 4.200 . 6.000 4.402 3.766 5.072 . 0 0 "[ . 1 . 2 . 3 .]" 1
726 1 31 ALA MB 1 32 GLY HA3 2.500 . 6.000 4.201 3.680 4.530 . 0 0 "[ . 1 . 2 . 3 .]" 1
727 1 31 ALA MB 1 33 GLU H 4.400 . 6.000 4.591 3.236 5.309 . 0 0 "[ . 1 . 2 . 3 .]" 1
728 1 32 GLY H 1 32 GLY HA2 2.800 . 3.800 2.617 2.295 2.882 . 0 0 "[ . 1 . 2 . 3 .]" 1
729 1 32 GLY H 1 32 GLY HA3 2.700 . 3.600 2.858 2.294 2.962 . 0 0 "[ . 1 . 2 . 3 .]" 1
730 1 32 GLY H 1 33 GLU H 2.600 . 3.400 2.433 1.946 3.444 0.044 34 0 "[ . 1 . 2 . 3 .]" 1
731 1 32 GLY H 1 33 GLU QB 4.000 . 6.000 3.581 3.420 3.817 . 0 0 "[ . 1 . 2 . 3 .]" 1
732 1 32 GLY HA2 1 33 GLU H 3.000 . 4.100 3.374 2.662 3.550 . 0 0 "[ . 1 . 2 . 3 .]" 1
733 1 32 GLY HA3 1 33 GLU H 3.400 . 4.800 2.994 2.678 3.575 . 0 0 "[ . 1 . 2 . 3 .]" 1
734 1 33 GLU H 1 33 GLU HA 2.500 . 3.300 2.854 2.295 2.918 . 0 0 "[ . 1 . 2 . 3 .]" 1
735 1 33 GLU H 1 33 GLU QB 2.000 . 2.500 2.401 2.156 2.709 0.209 34 0 "[ . 1 . 2 . 3 .]" 1
736 1 33 GLU H 1 33 GLU QG 2.600 . 3.500 2.511 1.955 3.517 0.017 3 0 "[ . 1 . 2 . 3 .]" 1
737 1 33 GLU HA 1 33 GLU QB 2.400 . 3.000 2.382 2.190 2.526 . 0 0 "[ . 1 . 2 . 3 .]" 1
738 1 33 GLU HA 1 33 GLU QG 2.900 . 4.000 2.681 2.368 3.522 . 0 0 "[ . 1 . 2 . 3 .]" 1
739 1 33 GLU HA 1 34 LYS H 2.300 . 3.000 2.795 2.440 3.065 0.065 24 0 "[ . 1 . 2 . 3 .]" 1
740 1 33 GLU QB 1 34 LYS H 2.500 . 3.300 1.780 1.470 2.189 0.230 34 0 "[ . 1 . 2 . 3 .]" 1
741 1 33 GLU QG 1 34 LYS H 4.300 . 6.000 3.731 2.484 4.184 . 0 0 "[ . 1 . 2 . 3 .]" 1
742 1 34 LYS H 1 34 LYS HA 2.800 . 3.800 2.909 2.842 2.950 . 0 0 "[ . 1 . 2 . 3 .]" 1
743 1 34 LYS H 1 34 LYS QB 2.200 . 2.800 2.671 2.346 3.200 0.400 11 0 "[ . 1 . 2 . 3 .]" 1
744 1 34 LYS H 1 34 LYS QD 2.900 . 6.000 4.393 3.048 5.414 . 0 0 "[ . 1 . 2 . 3 .]" 1
745 1 34 LYS H 1 35 ASN H 3.600 . 5.200 4.282 4.046 4.554 . 0 0 "[ . 1 . 2 . 3 .]" 1
746 1 34 LYS HA 1 34 LYS QB 2.300 . 3.000 2.431 2.165 2.549 . 0 0 "[ . 1 . 2 . 3 .]" 1
747 1 34 LYS HA 1 34 LYS QD 2.500 . 3.300 2.001 1.715 2.888 . 0 0 "[ . 1 . 2 . 3 .]" 1
748 1 34 LYS HA 1 34 LYS QG 3.200 . 4.500 2.399 2.059 2.728 . 0 0 "[ . 1 . 2 . 3 .]" 1
749 1 34 LYS HA 1 35 ASN H 1.900 . 2.300 2.227 2.119 2.483 0.183 33 0 "[ . 1 . 2 . 3 .]" 1
750 1 34 LYS HA 1 36 CYS H 4.200 . 6.000 4.497 3.938 5.328 . 0 0 "[ . 1 . 2 . 3 .]" 1
751 1 34 LYS QB 1 35 ASN H 3.000 . 4.100 3.233 2.600 3.692 . 0 0 "[ . 1 . 2 . 3 .]" 1
752 1 34 LYS QB 1 36 CYS H 3.300 . 4.700 3.736 2.685 4.701 0.001 29 0 "[ . 1 . 2 . 3 .]" 1
753 1 34 LYS QD 1 34 LYS QE 3.600 . 5.200 2.044 2.000 2.092 . 0 0 "[ . 1 . 2 . 3 .]" 1
754 1 34 LYS QD 1 35 ASN H 2.400 . 3.100 2.855 1.875 3.363 0.263 11 0 "[ . 1 . 2 . 3 .]" 1
755 1 34 LYS QD 1 36 CYS H 3.100 . 4.300 3.892 2.664 4.415 0.115 3 0 "[ . 1 . 2 . 3 .]" 1
756 1 35 ASN H 1 35 ASN HA 2.200 . 2.800 2.835 2.766 2.923 0.123 8 0 "[ . 1 . 2 . 3 .]" 1
757 1 35 ASN H 1 35 ASN HB2 2.100 . 2.700 2.442 2.339 2.581 . 0 0 "[ . 1 . 2 . 3 .]" 1
758 1 35 ASN H 1 35 ASN HB3 2.900 . 4.000 3.614 3.587 3.660 . 0 0 "[ . 1 . 2 . 3 .]" 1
759 1 35 ASN H 1 36 CYS H 2.400 . 3.100 2.774 2.112 3.086 . 0 0 "[ . 1 . 2 . 3 .]" 1
760 1 35 ASN HA 1 35 ASN HB2 2.600 . 3.500 3.022 3.005 3.034 . 0 0 "[ . 1 . 2 . 3 .]" 1
761 1 35 ASN HA 1 35 ASN HD21 2.300 . 6.000 3.383 3.197 3.527 . 0 0 "[ . 1 . 2 . 3 .]" 1
762 1 35 ASN HA 1 35 ASN HD22 3.200 . 4.500 4.062 3.943 4.165 . 0 0 "[ . 1 . 2 . 3 .]" 1
763 1 35 ASN HA 1 36 CYS H 3.100 . 4.300 3.579 3.452 3.622 . 0 0 "[ . 1 . 2 . 3 .]" 1
764 1 35 ASN HA 1 37 GLN QE 4.400 . 6.000 4.589 3.459 5.448 . 0 0 "[ . 1 . 2 . 3 .]" 1
765 1 35 ASN HB2 1 35 ASN HD21 3.300 . 4.600 3.309 3.245 3.369 . 0 0 "[ . 1 . 2 . 3 .]" 1
766 1 35 ASN HB2 1 35 ASN HD22 4.100 . 6.000 3.972 3.942 4.005 . 0 0 "[ . 1 . 2 . 3 .]" 1
767 1 35 ASN HB2 1 36 CYS H 2.400 . 3.100 2.483 2.104 3.183 0.083 18 0 "[ . 1 . 2 . 3 .]" 1
768 1 35 ASN HB3 1 35 ASN HD21 1.800 . 2.200 2.124 2.100 2.146 . 0 0 "[ . 1 . 2 . 3 .]" 1
769 1 35 ASN HB3 1 35 ASN HD22 2.800 . 3.800 3.441 3.429 3.452 . 0 0 "[ . 1 . 2 . 3 .]" 1
770 1 35 ASN HB3 1 36 CYS H 3.500 . 5.000 3.354 2.825 3.873 . 0 0 "[ . 1 . 2 . 3 .]" 1
771 1 35 ASN HB3 1 36 CYS HA 4.000 . 6.000 4.417 4.133 4.663 . 0 0 "[ . 1 . 2 . 3 .]" 1
772 1 36 CYS H 1 36 CYS HA 2.800 . 3.800 2.927 2.834 2.949 . 0 0 "[ . 1 . 2 . 3 .]" 1
773 1 36 CYS H 1 36 CYS HB2 2.300 . 2.900 2.746 2.481 3.006 0.106 18 0 "[ . 1 . 2 . 3 .]" 1
774 1 36 CYS H 1 36 CYS HB3 2.500 . 3.300 2.708 2.623 3.066 . 0 0 "[ . 1 . 2 . 3 .]" 1
775 1 36 CYS H 1 37 GLN H 4.500 . 6.000 4.383 4.247 4.503 . 0 0 "[ . 1 . 2 . 3 .]" 1
776 1 36 CYS HA 1 36 CYS HB2 2.600 . 3.500 2.540 2.496 2.615 . 0 0 "[ . 1 . 2 . 3 .]" 1
777 1 36 CYS HA 1 36 CYS HB3 2.800 . 3.800 3.016 2.987 3.025 . 0 0 "[ . 1 . 2 . 3 .]" 1
778 1 36 CYS HA 1 37 GLN H 2.000 . 2.500 2.139 2.080 2.198 . 0 0 "[ . 1 . 2 . 3 .]" 1
779 1 36 CYS HA 1 37 GLN HB2 4.000 . 6.000 5.578 5.459 5.669 . 0 0 "[ . 1 . 2 . 3 .]" 1
780 1 36 CYS HA 1 37 GLN HB3 4.600 . 6.000 4.679 4.098 4.952 . 0 0 "[ . 1 . 2 . 3 .]" 1
781 1 36 CYS HA 1 37 GLN QE 3.000 . 4.200 3.422 2.715 4.011 . 0 0 "[ . 1 . 2 . 3 .]" 1
782 1 36 CYS HB2 1 37 GLN H 4.400 . 6.000 4.360 4.193 4.481 . 0 0 "[ . 1 . 2 . 3 .]" 1
783 1 36 CYS HB3 1 37 GLN H 3.700 . 5.400 4.135 3.803 4.303 . 0 0 "[ . 1 . 2 . 3 .]" 1
784 1 37 GLN H 1 37 GLN HA 2.700 . 3.600 2.898 2.869 2.933 . 0 0 "[ . 1 . 2 . 3 .]" 1
785 1 37 GLN H 1 37 GLN HB2 3.000 . 4.100 3.853 3.749 4.007 . 0 0 "[ . 1 . 2 . 3 .]" 1
786 1 37 GLN H 1 37 GLN HB3 3.000 . 4.100 3.489 2.948 3.700 . 0 0 "[ . 1 . 2 . 3 .]" 1
787 1 37 GLN H 1 37 GLN QE 2.400 . 3.200 2.556 2.057 2.979 . 0 0 "[ . 1 . 2 . 3 .]" 1
788 1 37 GLN H 1 37 GLN QG 3.500 . 4.500 2.640 2.149 3.750 . 0 0 "[ . 1 . 2 . 3 .]" 1
789 1 37 GLN HA 1 37 GLN HB2 2.700 . 3.600 2.537 2.253 2.661 . 0 0 "[ . 1 . 2 . 3 .]" 1
790 1 37 GLN HA 1 37 GLN QG 3.400 . 4.800 3.391 3.298 3.496 . 0 0 "[ . 1 . 2 . 3 .]" 1
791 1 37 GLN HA 1 38 PHE H 1.900 . 2.400 2.332 2.214 2.454 0.054 8 0 "[ . 1 . 2 . 3 .]" 1
792 1 37 GLN HA 1 38 PHE HA 4.000 . 6.000 4.259 4.155 4.331 . 0 0 "[ . 1 . 2 . 3 .]" 1
793 1 37 GLN HB2 1 37 GLN QE 3.100 . 4.300 3.786 3.214 4.190 . 0 0 "[ . 1 . 2 . 3 .]" 1
794 1 37 GLN HB2 1 38 PHE H 4.400 . 6.000 2.506 2.189 2.935 . 0 0 "[ . 1 . 2 . 3 .]" 1
795 1 37 GLN HB3 1 37 GLN QE 3.900 . 5.800 3.740 1.655 4.276 0.345 14 0 "[ . 1 . 2 . 3 .]" 1
796 1 37 GLN HB3 1 38 PHE H 2.700 . 3.600 3.598 3.315 4.124 0.524 10 1 "[ . + . 2 . 3 .]" 1
797 1 37 GLN QE 1 37 GLN QG 3.100 . 4.300 2.183 2.031 2.770 . 0 0 "[ . 1 . 2 . 3 .]" 1
798 1 37 GLN QG 1 38 PHE H 4.100 . 5.100 4.037 2.846 4.534 . 0 0 "[ . 1 . 2 . 3 .]" 1
799 1 38 PHE H 1 38 PHE HA 2.500 . 3.300 2.811 2.743 2.865 . 0 0 "[ . 1 . 2 . 3 .]" 1
800 1 38 PHE H 1 38 PHE HB2 2.100 . 2.600 2.362 2.206 2.562 . 0 0 "[ . 1 . 2 . 3 .]" 1
801 1 38 PHE H 1 38 PHE HB3 2.300 . 3.000 2.618 2.435 2.816 . 0 0 "[ . 1 . 2 . 3 .]" 1
802 1 38 PHE H 1 38 PHE QD 3.500 . 5.000 4.083 3.948 4.166 . 0 0 "[ . 1 . 2 . 3 .]" 1
803 1 38 PHE H 1 39 ASN H 4.300 . 6.000 4.509 4.371 4.603 . 0 0 "[ . 1 . 2 . 3 .]" 1
804 1 38 PHE HA 1 38 PHE HB2 2.200 . 2.800 2.534 2.440 2.625 . 0 0 "[ . 1 . 2 . 3 .]" 1
805 1 38 PHE HA 1 38 PHE HB3 2.600 . 3.400 3.021 2.996 3.033 . 0 0 "[ . 1 . 2 . 3 .]" 1
806 1 38 PHE HA 1 38 PHE QD 1.900 . 2.300 2.259 2.008 2.519 0.219 30 0 "[ . 1 . 2 . 3 .]" 1
807 1 38 PHE HA 1 39 ASN H 1.800 . 2.200 2.175 2.100 2.231 0.031 27 0 "[ . 1 . 2 . 3 .]" 1
808 1 38 PHE HA 1 39 ASN HA 4.200 . 6.000 4.378 4.329 4.418 . 0 0 "[ . 1 . 2 . 3 .]" 1
809 1 38 PHE HA 1 39 ASN HB2 4.800 . 6.000 5.513 4.196 5.793 . 0 0 "[ . 1 . 2 . 3 .]" 1
810 1 38 PHE HA 1 39 ASN HB3 4.600 . 6.000 4.722 4.328 5.414 . 0 0 "[ . 1 . 2 . 3 .]" 1
811 1 38 PHE HB2 1 38 PHE QD 2.300 . 3.000 2.636 2.473 2.726 . 0 0 "[ . 1 . 2 . 3 .]" 1
812 1 38 PHE HB2 1 39 ASN H 3.900 . 5.800 4.386 4.249 4.467 . 0 0 "[ . 1 . 2 . 3 .]" 1
813 1 38 PHE HB3 1 38 PHE QD 1.900 . 2.400 2.262 2.248 2.321 . 0 0 "[ . 1 . 2 . 3 .]" 1
814 1 38 PHE HB3 1 39 ASN H 3.700 . 5.400 4.168 3.744 4.354 . 0 0 "[ . 1 . 2 . 3 .]" 1
815 1 38 PHE QR 1 41 THR HA 3.500 . 5.100 4.778 3.575 5.249 0.149 33 0 "[ . 1 . 2 . 3 .]" 1
816 1 38 PHE QR 1 40 SER HA 2.400 . 3.100 2.426 2.050 2.913 . 0 0 "[ . 1 . 2 . 3 .]" 1
817 1 38 PHE QR 1 40 SER QB 3.500 . 5.000 2.741 2.136 3.225 . 0 0 "[ . 1 . 2 . 3 .]" 1
818 1 38 PHE QD 1 39 ASN H 2.600 . 3.400 3.359 2.833 3.552 0.152 27 0 "[ . 1 . 2 . 3 .]" 1
819 1 38 PHE QD 1 40 SER H 3.200 . 4.500 3.280 2.555 4.564 0.064 30 0 "[ . 1 . 2 . 3 .]" 1
820 1 38 PHE QD 1 40 SER HA 2.300 . 6.000 3.285 2.477 3.985 . 0 0 "[ . 1 . 2 . 3 .]" 1
821 1 38 PHE QD 1 40 SER QB 2.500 . 3.300 2.974 2.176 3.446 0.146 30 0 "[ . 1 . 2 . 3 .]" 1
822 1 38 PHE QE 1 41 THR MG 4.300 . 6.000 5.071 2.853 6.118 0.118 6 0 "[ . 1 . 2 . 3 .]" 1
823 1 39 ASN H 1 39 ASN HA 2.600 . 3.400 2.876 2.788 2.927 . 0 0 "[ . 1 . 2 . 3 .]" 1
824 1 39 ASN H 1 39 ASN HB2 2.700 . 3.600 3.438 2.077 3.730 0.130 5 0 "[ . 1 . 2 . 3 .]" 1
825 1 39 ASN H 1 39 ASN HB3 2.400 . 3.200 2.794 2.256 3.313 0.113 29 0 "[ . 1 . 2 . 3 .]" 1
826 1 39 ASN H 1 40 SER H 3.300 . 4.600 2.590 2.195 4.391 . 0 0 "[ . 1 . 2 . 3 .]" 1
827 1 39 ASN HA 1 39 ASN HB2 2.500 . 3.300 2.491 2.362 2.857 . 0 0 "[ . 1 . 2 . 3 .]" 1
828 1 39 ASN HA 1 39 ASN HB3 2.500 . 3.300 2.510 2.282 3.027 . 0 0 "[ . 1 . 2 . 3 .]" 1
829 1 39 ASN HA 1 39 ASN HD22 4.600 . 6.000 5.131 4.232 5.349 . 0 0 "[ . 1 . 2 . 3 .]" 1
830 1 39 ASN HA 1 40 SER H 3.500 . 5.000 3.312 2.165 3.525 . 0 0 "[ . 1 . 2 . 3 .]" 1
831 1 39 ASN HB2 1 39 ASN HD21 2.600 . 3.500 2.921 2.099 3.311 . 0 0 "[ . 1 . 2 . 3 .]" 1
832 1 39 ASN HB2 1 39 ASN HD22 3.800 . 5.600 3.781 3.409 3.975 . 0 0 "[ . 1 . 2 . 3 .]" 1
833 1 39 ASN HB2 1 40 SER H 4.100 . 6.000 3.937 1.925 4.443 0.075 30 0 "[ . 1 . 2 . 3 .]" 1
834 1 39 ASN HB2 1 42 LYS H 4.000 . 6.000 4.479 2.907 6.659 0.659 23 1 "[ . 1 . 2 + . 3 .]" 1
835 1 39 ASN HB2 1 42 LYS HB2 3.200 . 4.500 2.896 1.805 4.746 0.246 29 0 "[ . 1 . 2 . 3 .]" 1
836 1 39 ASN HB2 1 42 LYS HB3 3.000 . 4.100 2.901 1.834 4.753 0.653 33 2 "[ . 1 . 2 - 3 + .]" 1
837 1 39 ASN HB3 1 39 ASN HD21 2.500 . 3.300 2.342 2.044 3.261 . 0 0 "[ . 1 . 2 . 3 .]" 1
838 1 39 ASN HB3 1 39 ASN HD22 3.600 . 5.200 3.527 3.378 3.941 . 0 0 "[ . 1 . 2 . 3 .]" 1
839 1 39 ASN HB3 1 40 SER H 3.700 . 5.400 3.973 2.352 4.584 . 0 0 "[ . 1 . 2 . 3 .]" 1
840 1 39 ASN HB3 1 42 LYS HB2 3.300 . 4.700 4.002 2.716 4.769 0.069 3 0 "[ . 1 . 2 . 3 .]" 1
841 1 39 ASN HB3 1 42 LYS HB3 3.100 . 4.300 3.731 2.241 4.725 0.425 19 0 "[ . 1 . 2 . 3 .]" 1
842 1 39 ASN HD22 1 42 LYS HB2 3.700 . 5.400 4.428 1.937 5.555 0.155 26 0 "[ . 1 . 2 . 3 .]" 1
843 1 40 SER H 1 40 SER HA 2.500 . 3.300 2.289 2.245 2.886 . 0 0 "[ . 1 . 2 . 3 .]" 1
844 1 40 SER H 1 40 SER HA 3.100 . 4.300 2.109 1.841 2.431 0.059 26 0 "[ . 1 . 2 . 3 .]" 1
845 1 40 SER H 1 40 SER HA 3.300 . 4.700 2.228 1.848 2.722 0.052 26 0 "[ . 1 . 2 . 3 .]" 1
846 1 40 SER H 1 40 SER QB 3.100 . 4.300 3.011 2.324 3.457 . 0 0 "[ . 1 . 2 . 3 .]" 1
847 1 40 SER HA 1 41 THR H 2.700 . 3.600 2.662 2.077 3.591 . 0 0 "[ . 1 . 2 . 3 .]" 1
848 1 40 SER HA 1 43 ALA H 4.100 . 6.000 5.917 5.219 6.136 0.136 6 0 "[ . 1 . 2 . 3 .]" 1
849 1 40 SER QB 1 41 THR H 4.000 . 6.000 3.281 1.915 4.046 0.085 3 0 "[ . 1 . 2 . 3 .]" 1
850 1 41 THR H 1 41 THR HA 2.600 . 3.500 2.516 2.241 2.938 . 0 0 "[ . 1 . 2 . 3 .]" 1
851 1 41 THR H 1 41 THR HB 3.100 . 4.300 3.579 2.746 4.068 . 0 0 "[ . 1 . 2 . 3 .]" 1
852 1 41 THR H 1 41 THR MG 3.300 . 4.600 3.192 2.083 4.001 . 0 0 "[ . 1 . 2 . 3 .]" 1
853 1 41 THR H 1 42 LYS H 3.300 . 4.600 3.116 2.136 4.427 . 0 0 "[ . 1 . 2 . 3 .]" 1
854 1 41 THR HA 1 41 THR MG 2.200 . 2.800 1.960 1.847 2.101 . 0 0 "[ . 1 . 2 . 3 .]" 1
855 1 41 THR HA 1 42 LYS H 2.400 . 3.100 2.655 2.088 3.073 . 0 0 "[ . 1 . 2 . 3 .]" 1
856 1 41 THR HA 1 42 LYS H 2.500 . 3.300 2.635 2.083 3.045 . 0 0 "[ . 1 . 2 . 3 .]" 1
857 1 41 THR HB 1 42 LYS H 3.300 . 4.700 4.310 3.817 4.675 . 0 0 "[ . 1 . 2 . 3 .]" 1
858 1 41 THR MG 1 42 LYS H 4.000 . 6.000 4.100 2.821 4.424 . 0 0 "[ . 1 . 2 . 3 .]" 1
859 1 41 THR MG 1 42 LYS HA 4.100 . 6.000 4.735 3.529 5.617 . 0 0 "[ . 1 . 2 . 3 .]" 1
860 1 42 LYS H 1 42 LYS HA 2.500 . 3.300 2.888 2.747 2.945 . 0 0 "[ . 1 . 2 . 3 .]" 1
861 1 42 LYS H 1 42 LYS HB2 2.700 . 3.600 2.943 2.245 3.570 . 0 0 "[ . 1 . 2 . 3 .]" 1
862 1 42 LYS H 1 42 LYS HB3 2.600 . 3.500 3.081 2.470 3.757 0.257 35 0 "[ . 1 . 2 . 3 .]" 1
863 1 42 LYS H 1 42 LYS QG 3.500 . 5.100 3.973 2.654 4.458 . 0 0 "[ . 1 . 2 . 3 .]" 1
864 1 42 LYS H 1 43 ALA H 2.600 . 3.400 2.167 1.784 2.513 0.016 12 0 "[ . 1 . 2 . 3 .]" 1
865 1 42 LYS HA 1 42 LYS HB2 2.400 . 3.100 2.643 2.428 3.019 . 0 0 "[ . 1 . 2 . 3 .]" 1
866 1 42 LYS HA 1 42 LYS HB3 2.500 . 3.300 2.909 2.519 3.034 . 0 0 "[ . 1 . 2 . 3 .]" 1
867 1 42 LYS HA 1 42 LYS QE 3.300 . 4.600 4.063 2.649 4.730 0.130 32 0 "[ . 1 . 2 . 3 .]" 1
868 1 42 LYS HA 1 42 LYS QG 2.700 . 3.600 2.642 2.268 3.049 . 0 0 "[ . 1 . 2 . 3 .]" 1
869 1 42 LYS HA 1 43 ALA H 2.700 . 3.600 3.387 2.866 3.575 . 0 0 "[ . 1 . 2 . 3 .]" 1
870 1 42 LYS HB2 1 43 ALA H 3.200 . 4.500 3.731 2.554 4.507 0.007 15 0 "[ . 1 . 2 . 3 .]" 1
871 1 42 LYS HB3 1 43 ALA H 2.900 . 4.000 2.997 2.067 4.386 0.386 19 0 "[ . 1 . 2 . 3 .]" 1
872 1 43 ALA H 1 43 ALA HA 2.700 . 3.600 2.818 2.245 2.947 . 0 0 "[ . 1 . 2 . 3 .]" 1
873 1 43 ALA H 1 43 ALA MB 2.200 . 2.800 2.273 2.029 2.891 0.091 18 0 "[ . 1 . 2 . 3 .]" 1
874 1 43 ALA H 1 44 SER H 3.500 . 5.000 3.670 2.381 4.624 . 0 0 "[ . 1 . 2 . 3 .]" 1
875 1 43 ALA HA 1 44 SER H 2.900 . 3.900 2.778 2.117 3.569 . 0 0 "[ . 1 . 2 . 3 .]" 1
876 1 44 SER H 1 44 SER HA 2.900 . 3.900 2.813 2.264 2.953 . 0 0 "[ . 1 . 2 . 3 .]" 1
877 1 44 SER H 1 44 SER QB 2.900 . 3.900 2.726 2.228 3.413 . 0 0 "[ . 1 . 2 . 3 .]" 1
878 1 44 SER HA 1 44 SER QB 2.200 . 2.800 2.321 2.174 2.421 . 0 0 "[ . 1 . 2 . 3 .]" 1
879 1 44 SER HA 1 45 LYS H 2.800 . 3.800 2.435 1.965 2.801 . 0 0 "[ . 1 . 2 . 3 .]" 1
880 1 45 LYS H 1 45 LYS QD 4.000 . 6.000 4.318 1.990 5.351 0.010 9 0 "[ . 1 . 2 . 3 .]" 1
881 1 45 LYS HA 1 45 LYS HB3 2.800 . 3.800 2.750 2.398 3.032 . 0 0 "[ . 1 . 2 . 3 .]" 1
882 1 45 LYS HA 1 46 SER H 2.700 . 3.600 2.954 2.119 3.578 . 0 0 "[ . 1 . 2 . 3 .]" 1
883 1 46 SER H 1 46 SER HA 2.800 . 3.800 2.832 2.262 2.945 . 0 0 "[ . 1 . 2 . 3 .]" 1
884 1 46 SER H 1 46 SER QB 3.400 . 4.800 2.912 2.458 3.372 . 0 0 "[ . 1 . 2 . 3 .]" 1
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