NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
651154 |
6pqt   |
30633 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6pqt
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 778
_Distance_constraint_stats_list.Viol_count 599
_Distance_constraint_stats_list.Viol_total 2032.503
_Distance_constraint_stats_list.Viol_max 1.299
_Distance_constraint_stats_list.Viol_rms 0.0501
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0065
_Distance_constraint_stats_list.Viol_average_violations_only 0.1697
_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 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ALA 0.020 0.020 5 0 "[ . 1 . 2]"
1 8 ARG 1.186 0.331 8 0 "[ . 1 . 2]"
1 9 ARG 0.561 0.341 3 0 "[ . 1 . 2]"
1 10 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLU 4.148 0.331 8 0 "[ . 1 . 2]"
1 12 LEU 2.436 0.585 14 1 "[ . 1 +. 2]"
1 13 LEU 3.387 0.885 3 1 "[ + . 1 . 2]"
1 14 ALA 5.819 0.196 19 0 "[ . 1 . 2]"
1 15 LYS 1.838 0.331 8 0 "[ . 1 . 2]"
1 16 LYS 0.415 0.086 9 0 "[ . 1 . 2]"
1 17 ALA 9.993 0.272 17 0 "[ . 1 . 2]"
1 18 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LEU 1.843 1.299 16 1 "[ . 1 .+ 2]"
1 20 ALA 9.071 0.458 16 0 "[ . 1 . 2]"
1 21 GLU 0.251 0.046 1 0 "[ . 1 . 2]"
1 22 ILE 1.666 0.100 6 0 "[ . 1 . 2]"
1 23 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 GLN 4.190 0.617 2 7 "[ + *. * * *-*. 2]"
1 26 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLU 0.227 0.196 3 0 "[ . 1 . 2]"
1 28 LEU 1.851 0.585 14 2 "[ . 1- +. 2]"
1 29 ARG 2.214 0.564 11 1 "[ . 1+ . 2]"
1 30 ALA 7.257 0.836 20 7 "[ * * * **- +]"
1 31 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 GLN 2.989 0.531 6 2 "[ -+ 1 . 2]"
1 33 ALA 2.692 0.634 1 1 "[+ . 1 . 2]"
1 34 ALA 10.591 0.836 20 7 "[ * * * **- +]"
1 35 GLY 0.677 0.634 1 1 "[+ . 1 . 2]"
1 36 ARG 2.803 0.789 13 2 "[ - . 1 + . 2]"
1 37 SER 0.138 0.134 20 0 "[ . 1 . 2]"
1 38 ILE 2.473 0.439 5 0 "[ . 1 . 2]"
1 39 THR 0.864 0.439 5 0 "[ . 1 . 2]"
1 40 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 SER 0.632 0.525 12 1 "[ . 1 + . 2]"
1 42 GLU 0.825 0.525 12 1 "[ . 1 + . 2]"
1 43 LEU 0.248 0.219 17 0 "[ . 1 . 2]"
1 44 VAL 0.616 0.219 17 0 "[ . 1 . 2]"
1 45 SER 0.040 0.028 17 0 "[ . 1 . 2]"
1 46 PRO 0.040 0.028 17 0 "[ . 1 . 2]"
1 47 THR 0.106 0.047 3 0 "[ . 1 . 2]"
1 48 PRO 0.106 0.047 3 0 "[ . 1 . 2]"
1 49 SER 1.390 0.724 10 2 "[ . +- . 2]"
1 50 ARG 2.028 0.724 10 3 "[ . +* - 2]"
1 51 ALA 0.638 0.548 15 1 "[ . 1 + 2]"
1 52 ASN 0.009 0.008 12 0 "[ . 1 . 2]"
1 53 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ARG 0.356 0.146 3 0 "[ . 1 . 2]"
1 56 GLU 0.045 0.024 17 0 "[ . 1 . 2]"
1 57 ILE 2.120 0.123 5 0 "[ . 1 . 2]"
1 58 GLU 0.017 0.017 1 0 "[ . 1 . 2]"
1 59 SER 0.015 0.015 1 0 "[ . 1 . 2]"
1 60 LEU 2.327 0.310 19 0 "[ . 1 . 2]"
1 61 ILE 8.214 0.990 10 2 "[ . + - . 2]"
1 62 ASP 2.126 0.267 10 0 "[ . 1 . 2]"
1 63 SER 9.145 0.968 18 6 "[ * * * 1 .- + *]"
1 64 ILE 7.188 0.990 10 2 "[ . + - . 2]"
1 65 LEU 14.471 0.968 18 6 "[ * * * 1 .- + *]"
1 66 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 SER 3.429 0.901 9 3 "[ . - +1 *. 2]"
1 69 ALA 0.017 0.017 3 0 "[ . 1 . 2]"
1 70 GLY 0.017 0.017 3 0 "[ . 1 . 2]"
1 71 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 SER 0.597 0.480 5 0 "[ . 1 . 2]"
1 74 PRO 5.273 0.901 9 3 "[ . * +1 *. 2]"
1 75 ARG 2.331 0.514 9 1 "[ . +1 . 2]"
1 76 ARG 1.333 0.514 9 1 "[ . +1 . 2]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ARG 1.654 0.546 20 1 "[ . 1 . +]"
1 80 PRO 5.358 0.901 9 4 "[ . * +1 *. -]"
1 81 ASN 0.304 0.236 12 0 "[ . 1 . 2]"
1 82 SER 3.429 0.901 9 3 "[ . - +1 *. 2]"
1 83 VAL 2.733 0.429 6 0 "[ . 1 . 2]"
1 84 ILE 2.422 0.501 3 1 "[ + . 1 . 2]"
1 85 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 THR 1.656 0.476 16 0 "[ . 1 . 2]"
1 87 GLY 1.656 0.476 16 0 "[ . 1 . 2]"
1 88 GLU 3.241 0.579 11 3 "[ . 1+ - * 2]"
1 89 LEU 3.328 0.801 5 3 "[ *+- 1 . 2]"
1 90 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ALA HA 1 2 ALA MB 1.931 . 2.397 2.126 2.120 2.130 . 0 0 "[ . 1 . 2]" 1
2 1 3 HIS HA 1 4 MET H 3.877 . 5.756 3.475 3.061 3.585 . 0 0 "[ . 1 . 2]" 1
3 1 4 MET HA 1 5 MET H 2.509 . 3.296 2.360 2.067 2.791 . 0 0 "[ . 1 . 2]" 1
4 1 4 MET HB2 1 5 MET H 2.957 . 4.050 2.602 2.221 2.961 . 0 0 "[ . 1 . 2]" 1
5 1 4 MET HG3 1 5 MET H 4.567 . 7.174 4.223 3.465 4.864 . 0 0 "[ . 1 . 2]" 1
6 1 5 MET HA 1 6 GLN H 2.438 . 3.181 2.487 2.159 2.858 . 0 0 "[ . 1 . 2]" 1
7 1 5 MET QB 1 5 MET HG2 2.800 . 3.780 2.215 2.052 2.353 . 0 0 "[ . 1 . 2]" 1
8 1 5 MET QB 1 5 MET HG2 3.059 . 4.229 2.332 2.152 2.409 . 0 0 "[ . 1 . 2]" 1
9 1 5 MET QB 1 5 MET HG3 2.953 . 4.043 2.360 2.300 2.481 . 0 0 "[ . 1 . 2]" 1
10 1 5 MET HB2 1 5 MET HG3 2.764 . 3.719 2.327 2.188 2.829 . 0 0 "[ . 1 . 2]" 1
11 1 5 MET HB2 1 7 ALA H 3.150 . 4.390 2.806 2.555 3.040 . 0 0 "[ . 1 . 2]" 1
12 1 5 MET HB3 1 5 MET HG2 2.848 . 3.862 2.452 2.280 2.533 . 0 0 "[ . 1 . 2]" 1
13 1 5 MET HB3 1 8 ARG H 5.072 . 8.287 4.404 3.342 5.354 . 0 0 "[ . 1 . 2]" 1
14 1 6 GLN H 1 6 GLN HA 2.694 . 3.601 2.832 2.749 2.893 . 0 0 "[ . 1 . 2]" 1
15 1 6 GLN H 1 6 GLN QB 2.295 . 2.953 2.272 2.230 2.387 . 0 0 "[ . 1 . 2]" 1
16 1 6 GLN H 1 6 GLN QB 2.947 . 4.033 2.203 2.125 2.282 . 0 0 "[ . 1 . 2]" 1
17 1 6 GLN H 1 6 GLN QG 4.353 . 6.721 3.909 3.299 4.073 . 0 0 "[ . 1 . 2]" 1
18 1 6 GLN H 1 7 ALA MB 4.028 . 6.057 4.254 3.990 4.506 . 0 0 "[ . 1 . 2]" 1
19 1 6 GLN HA 1 6 GLN QG 2.494 . 3.272 2.554 2.365 3.071 . 0 0 "[ . 1 . 2]" 1
20 1 6 GLN HA 1 7 ALA H 2.536 . 3.340 2.685 2.658 2.722 . 0 0 "[ . 1 . 2]" 1
21 1 6 GLN HA 1 10 GLU HB2 3.351 . 4.754 3.900 3.661 4.103 . 0 0 "[ . 1 . 2]" 1
22 1 6 GLN QB 1 6 GLN QG 2.184 . 2.780 2.050 1.972 2.088 . 0 0 "[ . 1 . 2]" 1
23 1 6 GLN QG 1 7 ALA H 3.995 . 5.990 4.003 3.512 4.713 . 0 0 "[ . 1 . 2]" 1
24 1 7 ALA H 1 7 ALA MB 2.193 . 2.794 2.228 2.212 2.248 . 0 0 "[ . 1 . 2]" 1
25 1 7 ALA H 1 8 ARG H 3.007 . 4.138 2.780 2.646 2.902 . 0 0 "[ . 1 . 2]" 1
26 1 7 ALA HA 1 7 ALA MB 1.885 . 2.329 2.124 2.120 2.127 . 0 0 "[ . 1 . 2]" 1
27 1 7 ALA HA 1 7 ALA MB 1.638 . 1.974 1.893 1.890 1.897 . 0 0 "[ . 1 . 2]" 1
28 1 7 ALA HA 1 8 ARG H 2.405 . 3.128 2.740 2.729 2.751 . 0 0 "[ . 1 . 2]" 1
29 1 7 ALA MB 1 8 ARG H 2.145 . 2.720 2.404 2.236 2.740 0.020 5 0 "[ . 1 . 2]" 1
30 1 8 ARG H 1 8 ARG HB2 2.596 . 3.438 2.522 2.370 2.661 . 0 0 "[ . 1 . 2]" 1
31 1 8 ARG H 1 8 ARG HB3 2.708 . 3.624 2.591 2.435 2.743 . 0 0 "[ . 1 . 2]" 1
32 1 8 ARG H 1 8 ARG QG 4.103 . 6.208 3.988 3.956 4.073 . 0 0 "[ . 1 . 2]" 1
33 1 8 ARG H 1 11 GLU QB 4.674 . 7.404 5.001 4.534 5.980 . 0 0 "[ . 1 . 2]" 1
34 1 8 ARG HA 1 8 ARG HB3 2.963 . 4.060 2.964 2.944 2.983 . 0 0 "[ . 1 . 2]" 1
35 1 8 ARG HA 1 8 ARG HB3 2.836 . 3.841 2.458 2.302 2.523 . 0 0 "[ . 1 . 2]" 1
36 1 8 ARG HA 1 8 ARG HB3 2.902 . 3.955 2.380 2.183 2.520 . 0 0 "[ . 1 . 2]" 1
37 1 8 ARG HA 1 8 ARG HB3 3.026 . 4.170 2.559 2.363 2.697 . 0 0 "[ . 1 . 2]" 1
38 1 8 ARG HB2 1 8 ARG QG 2.389 . 3.103 2.339 2.291 2.387 . 0 0 "[ . 1 . 2]" 1
39 1 8 ARG HB3 1 8 ARG QG 1.943 . 2.415 1.983 1.889 2.070 . 0 0 "[ . 1 . 2]" 1
40 1 8 ARG HB3 1 9 ARG H 2.562 . 3.382 2.120 1.982 2.191 . 0 0 "[ . 1 . 2]" 1
41 1 8 ARG HB3 1 9 ARG HA 3.115 . 4.328 4.167 4.017 4.328 . 0 0 "[ . 1 . 2]" 1
42 1 8 ARG QG 1 9 ARG H 3.809 . 5.622 3.881 3.553 4.183 . 0 0 "[ . 1 . 2]" 1
43 1 8 ARG HG2 1 11 GLU HA 3.422 . 4.886 4.505 3.580 5.217 0.331 8 0 "[ . 1 . 2]" 1
44 1 8 ARG HG2 1 12 LEU H 2.963 . 4.060 3.084 2.310 3.932 . 0 0 "[ . 1 . 2]" 1
45 1 9 ARG H 1 9 ARG HA 2.693 . 3.600 2.803 2.713 2.861 . 0 0 "[ . 1 . 2]" 1
46 1 9 ARG H 1 9 ARG QB 2.230 . 2.852 2.209 2.069 2.271 . 0 0 "[ . 1 . 2]" 1
47 1 9 ARG H 1 10 GLU H 2.820 . 3.814 2.676 2.456 2.972 . 0 0 "[ . 1 . 2]" 1
48 1 9 ARG HA 1 9 ARG QB 2.251 . 2.885 2.137 2.099 2.172 . 0 0 "[ . 1 . 2]" 1
49 1 9 ARG HA 1 10 GLU H 2.623 . 3.483 2.719 2.661 2.753 . 0 0 "[ . 1 . 2]" 1
50 1 9 ARG HA 1 12 LEU MD2 2.725 . 3.653 1.956 1.821 2.027 . 0 0 "[ . 1 . 2]" 1
51 1 9 ARG QB 1 12 LEU MD2 4.266 . 6.541 3.955 3.502 4.167 . 0 0 "[ . 1 . 2]" 1
52 1 9 ARG QB 1 12 LEU MD2 4.218 . 6.442 3.928 3.497 4.191 . 0 0 "[ . 1 . 2]" 1
53 1 9 ARG QB 1 10 GLU H 2.723 . 3.650 2.664 2.289 3.046 . 0 0 "[ . 1 . 2]" 1
54 1 9 ARG QB 1 10 GLU HA 3.579 . 5.180 4.088 3.847 4.253 . 0 0 "[ . 1 . 2]" 1
55 1 9 ARG HB3 1 9 ARG QD 2.692 . 3.598 2.064 1.797 2.402 . 0 0 "[ . 1 . 2]" 1
56 1 9 ARG QD 1 10 GLU H 4.392 . 6.803 3.998 3.333 4.673 . 0 0 "[ . 1 . 2]" 1
57 1 9 ARG QD 1 13 LEU QD 2.856 . 3.876 2.563 2.319 3.120 . 0 0 "[ . 1 . 2]" 1
58 1 9 ARG QD 1 13 LEU HG 2.083 . 2.626 2.415 2.053 2.967 0.341 3 0 "[ . 1 . 2]" 1
59 1 10 GLU H 1 10 GLU QB 2.490 . 3.265 2.235 2.150 2.304 . 0 0 "[ . 1 . 2]" 1
60 1 10 GLU H 1 10 GLU QG 4.126 . 6.254 4.016 3.807 4.081 . 0 0 "[ . 1 . 2]" 1
61 1 10 GLU H 1 11 GLU H 2.763 . 3.717 2.632 2.335 2.835 . 0 0 "[ . 1 . 2]" 1
62 1 10 GLU HA 1 10 GLU QB 2.213 . 2.825 2.404 2.343 2.518 . 0 0 "[ . 1 . 2]" 1
63 1 10 GLU HA 1 10 GLU QG 3.453 . 4.943 2.753 2.413 2.995 . 0 0 "[ . 1 . 2]" 1
64 1 10 GLU HA 1 11 GLU H 2.978 . 4.086 3.520 3.446 3.592 . 0 0 "[ . 1 . 2]" 1
65 1 10 GLU HA 1 13 LEU H 2.324 . 2.999 2.443 2.403 2.499 . 0 0 "[ . 1 . 2]" 1
66 1 10 GLU HA 1 13 LEU HB2 2.564 . 3.386 2.435 2.163 2.599 . 0 0 "[ . 1 . 2]" 1
67 1 10 GLU HA 1 14 ALA H 2.957 . 4.050 3.337 3.243 3.419 . 0 0 "[ . 1 . 2]" 1
68 1 10 GLU QB 1 11 GLU H 2.710 . 3.628 2.531 2.141 2.965 . 0 0 "[ . 1 . 2]" 1
69 1 10 GLU HB3 1 11 GLU H 3.032 . 4.181 2.526 2.139 2.893 . 0 0 "[ . 1 . 2]" 1
70 1 10 GLU HG3 1 11 GLU H 3.980 . 5.960 3.590 3.056 3.860 . 0 0 "[ . 1 . 2]" 1
71 1 11 GLU H 1 11 GLU HA 2.554 . 3.369 2.801 2.712 2.864 . 0 0 "[ . 1 . 2]" 1
72 1 11 GLU H 1 11 GLU QB 2.355 . 3.048 2.236 2.176 2.332 . 0 0 "[ . 1 . 2]" 1
73 1 11 GLU H 1 11 GLU QB 2.511 . 3.299 2.067 2.014 2.113 . 0 0 "[ . 1 . 2]" 1
74 1 11 GLU H 1 12 LEU H 2.613 . 3.467 2.659 2.385 2.970 . 0 0 "[ . 1 . 2]" 1
75 1 11 GLU HA 1 11 GLU QB 2.474 . 3.239 2.378 2.313 2.461 . 0 0 "[ . 1 . 2]" 1
76 1 11 GLU HA 1 11 GLU QG 3.412 . 4.867 2.796 2.433 3.004 . 0 0 "[ . 1 . 2]" 1
77 1 11 GLU HA 1 14 ALA MB 2.117 . 2.677 2.381 2.069 2.873 0.196 19 0 "[ . 1 . 2]" 1
78 1 11 GLU HA 1 14 ALA MB 1.425 . 1.679 1.818 1.752 1.868 0.189 19 0 "[ . 1 . 2]" 1
79 1 11 GLU QB 1 12 LEU H 2.738 . 3.675 2.690 2.305 2.891 . 0 0 "[ . 1 . 2]" 1
80 1 11 GLU QB 1 15 LYS H 4.422 . 6.866 4.736 4.122 5.268 . 0 0 "[ . 1 . 2]" 1
81 1 12 LEU H 1 12 LEU HA 2.471 . 3.234 2.823 2.735 2.864 . 0 0 "[ . 1 . 2]" 1
82 1 12 LEU H 1 12 LEU HA 2.188 . 2.786 2.516 2.453 2.549 . 0 0 "[ . 1 . 2]" 1
83 1 12 LEU H 1 12 LEU HB2 2.245 . 2.875 2.493 2.337 2.622 . 0 0 "[ . 1 . 2]" 1
84 1 12 LEU H 1 12 LEU HB3 2.709 . 3.627 2.819 2.430 3.602 . 0 0 "[ . 1 . 2]" 1
85 1 12 LEU H 1 12 LEU QD 3.924 . 5.849 3.548 3.082 3.746 . 0 0 "[ . 1 . 2]" 1
86 1 12 LEU HA 1 12 LEU HB2 2.852 . 3.869 2.627 2.431 3.012 . 0 0 "[ . 1 . 2]" 1
87 1 12 LEU HA 1 12 LEU HB2 2.455 . 3.209 2.427 2.225 2.683 . 0 0 "[ . 1 . 2]" 1
88 1 12 LEU HA 1 12 LEU HB3 2.390 . 3.104 2.871 2.506 3.021 . 0 0 "[ . 1 . 2]" 1
89 1 12 LEU HA 1 12 LEU HB3 2.301 . 2.963 2.360 2.191 2.624 . 0 0 "[ . 1 . 2]" 1
90 1 12 LEU HA 1 12 LEU MD1 1.904 . 2.357 1.991 1.775 2.942 0.585 14 1 "[ . 1 +. 2]" 1
91 1 12 LEU HA 1 15 LYS H 2.236 . 2.861 2.668 2.610 2.721 . 0 0 "[ . 1 . 2]" 1
92 1 12 LEU HA 1 15 LYS HB2 2.425 . 3.160 2.696 2.345 3.455 0.295 10 0 "[ . 1 . 2]" 1
93 1 12 LEU HB2 1 12 LEU MD2 2.221 . 2.837 2.210 2.066 2.850 0.013 2 0 "[ . 1 . 2]" 1
94 1 12 LEU HB2 1 12 LEU HG 1.837 . 2.259 1.781 1.724 1.854 . 0 0 "[ . 1 . 2]" 1
95 1 12 LEU HB2 1 13 LEU H 2.111 . 2.668 2.117 2.050 2.173 . 0 0 "[ . 1 . 2]" 1
96 1 12 LEU HB3 1 12 LEU QD 1.929 . 2.394 1.833 1.756 1.922 . 0 0 "[ . 1 . 2]" 1
97 1 12 LEU HB3 1 12 LEU MD1 1.710 . 2.076 1.766 1.716 1.809 . 0 0 "[ . 1 . 2]" 1
98 1 12 LEU HB3 1 12 LEU MD2 1.851 . 2.279 1.857 1.803 1.931 . 0 0 "[ . 1 . 2]" 1
99 1 12 LEU HB3 1 13 LEU H 3.203 . 4.486 2.765 2.199 3.562 . 0 0 "[ . 1 . 2]" 1
100 1 12 LEU MD1 1 15 LYS QE 2.371 . 3.074 2.533 2.044 3.160 0.086 9 0 "[ . 1 . 2]" 1
101 1 12 LEU QD 1 12 LEU HG 1.645 . 1.983 1.687 1.685 1.688 . 0 0 "[ . 1 . 2]" 1
102 1 12 LEU QD 1 13 LEU H 3.372 . 4.793 2.939 2.283 3.109 . 0 0 "[ . 1 . 2]" 1
103 1 12 LEU QD 1 15 LYS H 4.208 . 6.422 4.134 3.880 4.382 . 0 0 "[ . 1 . 2]" 1
104 1 12 LEU MD1 1 12 LEU HG 1.692 . 2.050 1.798 1.766 1.812 . 0 0 "[ . 1 . 2]" 1
105 1 12 LEU MD1 1 16 LYS QD 2.792 . 3.767 2.448 2.069 3.167 . 0 0 "[ . 1 . 2]" 1
106 1 12 LEU HG 1 16 LYS H 4.115 . 6.231 3.569 3.255 4.134 . 0 0 "[ . 1 . 2]" 1
107 1 13 LEU H 1 13 LEU HA 2.359 . 3.054 2.502 2.450 2.548 . 0 0 "[ . 1 . 2]" 1
108 1 13 LEU H 1 13 LEU HB3 3.512 . 5.053 3.591 3.478 3.619 . 0 0 "[ . 1 . 2]" 1
109 1 13 LEU H 1 13 LEU MD2 3.166 . 4.419 3.163 2.305 3.370 . 0 0 "[ . 1 . 2]" 1
110 1 13 LEU H 1 13 LEU HG 2.336 . 3.018 2.457 2.209 3.903 0.885 3 1 "[ + . 1 . 2]" 1
111 1 13 LEU H 1 14 ALA H 2.471 . 3.234 2.632 2.504 2.831 . 0 0 "[ . 1 . 2]" 1
112 1 13 LEU HA 1 13 LEU HB2 2.229 . 2.850 2.714 2.670 2.847 . 0 0 "[ . 1 . 2]" 1
113 1 13 LEU HA 1 13 LEU HB3 2.000 . 2.500 2.505 2.468 2.645 0.145 3 0 "[ . 1 . 2]" 1
114 1 13 LEU HA 1 13 LEU HB3 2.535 . 3.338 2.238 2.215 2.384 . 0 0 "[ . 1 . 2]" 1
115 1 13 LEU HA 1 13 LEU MD2 1.572 . 1.881 1.939 1.885 2.311 0.430 3 0 "[ . 1 . 2]" 1
116 1 13 LEU HA 1 13 LEU HG 2.661 . 3.546 3.098 2.982 3.674 0.128 3 0 "[ . 1 . 2]" 1
117 1 13 LEU HA 1 16 LYS H 2.603 . 3.450 3.077 2.946 3.191 . 0 0 "[ . 1 . 2]" 1
118 1 13 LEU HA 1 16 LYS H 2.612 . 3.465 2.617 2.560 2.645 . 0 0 "[ . 1 . 2]" 1
119 1 13 LEU HA 1 16 LYS QB 1.757 . 2.143 2.097 1.976 2.226 0.083 20 0 "[ . 1 . 2]" 1
120 1 13 LEU HB2 1 13 LEU MD1 1.704 . 2.067 1.673 1.647 1.705 . 0 0 "[ . 1 . 2]" 1
121 1 13 LEU HB2 1 13 LEU MD1 2.150 . 2.728 2.063 1.960 2.228 . 0 0 "[ . 1 . 2]" 1
122 1 13 LEU HB2 1 14 ALA H 2.872 . 3.903 2.739 2.556 2.911 . 0 0 "[ . 1 . 2]" 1
123 1 13 LEU HB3 1 13 LEU QD 1.973 . 2.460 1.889 1.876 1.946 . 0 0 "[ . 1 . 2]" 1
124 1 13 LEU MD1 1 14 ALA H 3.875 . 5.752 3.622 3.469 3.747 . 0 0 "[ . 1 . 2]" 1
125 1 13 LEU MD2 1 16 LYS H 4.347 . 6.709 3.108 3.036 3.557 . 0 0 "[ . 1 . 2]" 1
126 1 13 LEU MD2 1 16 LYS QB 2.802 . 3.783 2.977 2.757 3.569 . 0 0 "[ . 1 . 2]" 1
127 1 13 LEU HG 1 14 ALA H 3.894 . 5.790 4.475 4.348 5.195 . 0 0 "[ . 1 . 2]" 1
128 1 14 ALA H 1 14 ALA HA 2.531 . 3.332 2.806 2.767 2.853 . 0 0 "[ . 1 . 2]" 1
129 1 14 ALA H 1 14 ALA MB 1.783 . 2.180 2.225 2.201 2.247 0.067 2 0 "[ . 1 . 2]" 1
130 1 14 ALA H 1 15 LYS H 2.313 . 2.982 2.645 2.498 2.743 . 0 0 "[ . 1 . 2]" 1
131 1 14 ALA HA 1 14 ALA MB 1.616 . 1.942 1.893 1.890 1.895 . 0 0 "[ . 1 . 2]" 1
132 1 14 ALA HA 1 14 ALA MB 1.466 . 1.735 1.831 1.728 1.887 0.152 17 0 "[ . 1 . 2]" 1
133 1 14 ALA HA 1 15 LYS H 2.168 . 2.755 2.613 2.590 2.657 . 0 0 "[ . 1 . 2]" 1
134 1 14 ALA MB 1 15 LYS H 2.231 . 2.853 2.252 2.141 2.395 . 0 0 "[ . 1 . 2]" 1
135 1 14 ALA MB 1 15 LYS QB 3.377 . 4.803 3.536 3.330 3.687 . 0 0 "[ . 1 . 2]" 1
136 1 14 ALA MB 1 16 LYS H 3.963 . 5.926 3.505 3.394 3.611 . 0 0 "[ . 1 . 2]" 1
137 1 15 LYS H 1 15 LYS HA 2.437 . 3.179 2.841 2.799 2.869 . 0 0 "[ . 1 . 2]" 1
138 1 15 LYS H 1 15 LYS HA 2.316 . 2.986 2.467 2.430 2.499 . 0 0 "[ . 1 . 2]" 1
139 1 15 LYS H 1 15 LYS HA 2.301 . 2.963 2.508 2.409 2.597 . 0 0 "[ . 1 . 2]" 1
140 1 15 LYS H 1 15 LYS HB2 2.080 . 2.621 2.005 1.919 2.118 . 0 0 "[ . 1 . 2]" 1
141 1 15 LYS H 1 15 LYS HB2 1.983 . 2.475 2.099 2.016 2.173 . 0 0 "[ . 1 . 2]" 1
142 1 15 LYS H 1 15 LYS HG3 3.951 . 5.903 2.998 2.312 3.700 . 0 0 "[ . 1 . 2]" 1
143 1 15 LYS H 1 15 LYS HG3 4.252 . 6.512 3.318 2.329 4.307 . 0 0 "[ . 1 . 2]" 1
144 1 15 LYS HA 1 15 LYS QB 2.418 . 3.149 2.421 2.383 2.499 . 0 0 "[ . 1 . 2]" 1
145 1 15 LYS HA 1 15 LYS HB3 1.947 . 2.421 2.196 2.130 2.307 . 0 0 "[ . 1 . 2]" 1
146 1 15 LYS HA 1 18 ARG HG2 3.490 . 5.012 3.532 2.925 4.264 . 0 0 "[ . 1 . 2]" 1
147 1 15 LYS QB 1 15 LYS HD2 2.455 . 3.209 2.292 2.018 2.707 . 0 0 "[ . 1 . 2]" 1
148 1 15 LYS QB 1 15 LYS HG2 2.813 . 3.802 2.010 1.927 2.110 . 0 0 "[ . 1 . 2]" 1
149 1 15 LYS HB3 1 15 LYS HG3 2.386 . 3.098 2.183 2.006 2.336 . 0 0 "[ . 1 . 2]" 1
150 1 15 LYS QD 1 15 LYS HE2 1.925 . 2.388 1.758 1.717 1.847 . 0 0 "[ . 1 . 2]" 1
151 1 15 LYS QD 1 15 LYS HG3 2.225 . 2.844 2.282 2.174 2.478 . 0 0 "[ . 1 . 2]" 1
152 1 15 LYS HD3 1 15 LYS HG3 2.198 . 2.802 2.124 2.016 2.379 . 0 0 "[ . 1 . 2]" 1
153 1 15 LYS QE 1 15 LYS HG2 4.441 . 6.907 2.649 2.096 3.132 . 0 0 "[ . 1 . 2]" 1
154 1 15 LYS QE 1 15 LYS HG3 2.902 . 3.955 2.919 2.110 3.344 . 0 0 "[ . 1 . 2]" 1
155 1 15 LYS HG3 1 16 LYS H 4.473 . 6.974 3.996 3.754 4.259 . 0 0 "[ . 1 . 2]" 1
156 1 16 LYS H 1 16 LYS HA 2.557 . 3.375 2.835 2.733 2.918 . 0 0 "[ . 1 . 2]" 1
157 1 16 LYS H 1 16 LYS QB 1.980 . 2.470 2.242 2.130 2.367 . 0 0 "[ . 1 . 2]" 1
158 1 16 LYS H 1 16 LYS QD 4.027 . 6.054 3.781 3.463 4.008 . 0 0 "[ . 1 . 2]" 1
159 1 16 LYS H 1 16 LYS HG2 3.435 . 4.910 3.631 2.567 4.307 . 0 0 "[ . 1 . 2]" 1
160 1 16 LYS H 1 16 LYS HG2 3.504 . 5.039 3.874 2.692 4.546 . 0 0 "[ . 1 . 2]" 1
161 1 16 LYS HA 1 16 LYS QB 1.955 . 2.433 2.356 2.146 2.444 0.011 17 0 "[ . 1 . 2]" 1
162 1 16 LYS HA 1 16 LYS HG2 3.555 . 5.135 3.512 2.870 3.935 . 0 0 "[ . 1 . 2]" 1
163 1 16 LYS QB 1 16 LYS QD 2.386 . 3.098 2.255 1.964 2.562 . 0 0 "[ . 1 . 2]" 1
164 1 16 LYS QB 1 16 LYS QE 2.582 . 3.415 2.064 1.814 2.988 . 0 0 "[ . 1 . 2]" 1
165 1 16 LYS QB 1 17 ALA H 2.876 . 3.910 2.813 2.566 3.621 . 0 0 "[ . 1 . 2]" 1
166 1 16 LYS QB 1 17 ALA H 2.062 . 2.594 2.310 2.208 2.440 . 0 0 "[ . 1 . 2]" 1
167 1 17 ALA H 1 17 ALA HA 2.390 . 3.104 2.353 2.153 2.525 . 0 0 "[ . 1 . 2]" 1
168 1 17 ALA H 1 17 ALA MB 1.622 . 1.951 2.215 2.202 2.223 0.272 17 0 "[ . 1 . 2]" 1
169 1 17 ALA HA 1 18 ARG H 3.491 . 5.014 3.496 3.416 3.553 . 0 0 "[ . 1 . 2]" 1
170 1 17 ALA HA 1 18 ARG H 2.446 . 3.194 2.695 2.666 2.720 . 0 0 "[ . 1 . 2]" 1
171 1 17 ALA HA 1 19 LEU H 3.855 . 5.713 3.184 3.077 3.321 . 0 0 "[ . 1 . 2]" 1
172 1 18 ARG H 1 18 ARG HB2 2.363 . 3.061 2.244 2.151 2.363 . 0 0 "[ . 1 . 2]" 1
173 1 18 ARG H 1 18 ARG HG2 2.895 . 3.943 3.060 2.291 3.787 . 0 0 "[ . 1 . 2]" 1
174 1 18 ARG H 1 18 ARG HG3 4.046 . 6.092 3.108 2.353 3.865 . 0 0 "[ . 1 . 2]" 1
175 1 18 ARG HA 1 18 ARG HD3 4.829 . 7.743 4.086 2.981 4.784 . 0 0 "[ . 1 . 2]" 1
176 1 18 ARG HA 1 21 GLU H 2.750 . 3.695 2.822 2.673 3.001 . 0 0 "[ . 1 . 2]" 1
177 1 18 ARG QB 1 18 ARG HD2 2.817 . 3.809 2.430 2.158 2.909 . 0 0 "[ . 1 . 2]" 1
178 1 18 ARG QB 1 18 ARG HD2 3.099 . 4.299 2.568 2.187 2.999 . 0 0 "[ . 1 . 2]" 1
179 1 18 ARG QB 1 18 ARG HD3 3.823 . 5.650 2.932 2.386 3.522 . 0 0 "[ . 1 . 2]" 1
180 1 18 ARG QB 1 18 ARG HG2 2.270 . 2.914 2.357 2.280 2.410 . 0 0 "[ . 1 . 2]" 1
181 1 18 ARG QB 1 18 ARG HG3 2.155 . 2.735 2.251 2.158 2.391 . 0 0 "[ . 1 . 2]" 1
182 1 18 ARG QB 1 19 LEU H 2.475 . 3.241 2.681 2.539 2.894 . 0 0 "[ . 1 . 2]" 1
183 1 18 ARG QB 1 19 LEU HA 3.353 . 4.758 3.586 3.520 3.686 . 0 0 "[ . 1 . 2]" 1
184 1 18 ARG QB 1 19 LEU QD 3.579 . 5.180 3.090 2.760 3.591 . 0 0 "[ . 1 . 2]" 1
185 1 18 ARG HD2 1 18 ARG HG3 2.893 . 3.939 2.734 2.377 3.027 . 0 0 "[ . 1 . 2]" 1
186 1 18 ARG HD2 1 18 ARG HG3 2.611 . 3.463 2.175 1.928 2.494 . 0 0 "[ . 1 . 2]" 1
187 1 18 ARG HD3 1 18 ARG HG2 2.906 . 3.962 2.750 2.439 3.022 . 0 0 "[ . 1 . 2]" 1
188 1 18 ARG HD3 1 18 ARG HG3 2.543 . 3.352 2.433 2.384 2.529 . 0 0 "[ . 1 . 2]" 1
189 1 18 ARG HG2 1 21 GLU H 4.865 . 7.824 4.447 3.586 4.643 . 0 0 "[ . 1 . 2]" 1
190 1 18 ARG HG3 1 21 GLU H 4.654 . 7.361 4.719 4.630 4.785 . 0 0 "[ . 1 . 2]" 1
191 1 19 LEU H 1 19 LEU HB2 2.188 . 2.786 2.439 2.385 2.612 . 0 0 "[ . 1 . 2]" 1
192 1 19 LEU H 1 19 LEU HB2 2.166 . 2.753 2.176 2.106 2.593 . 0 0 "[ . 1 . 2]" 1
193 1 19 LEU H 1 19 LEU HB3 3.628 . 5.273 3.531 2.400 3.618 . 0 0 "[ . 1 . 2]" 1
194 1 19 LEU H 1 19 LEU QD 3.102 . 4.305 3.168 3.079 3.730 . 0 0 "[ . 1 . 2]" 1
195 1 19 LEU H 1 19 LEU HG 2.390 . 3.104 2.509 2.286 4.403 1.299 16 1 "[ . 1 .+ 2]" 1
196 1 19 LEU HA 1 19 LEU QD 2.099 . 2.650 2.027 1.960 2.117 . 0 0 "[ . 1 . 2]" 1
197 1 19 LEU HA 1 20 ALA H 3.239 . 4.551 3.507 3.422 3.550 . 0 0 "[ . 1 . 2]" 1
198 1 19 LEU HA 1 21 GLU H 3.419 . 4.880 3.672 3.483 3.837 . 0 0 "[ . 1 . 2]" 1
199 1 19 LEU HA 1 22 ILE HB 2.435 . 3.176 2.556 2.426 2.796 . 0 0 "[ . 1 . 2]" 1
200 1 19 LEU HA 1 22 ILE MD 2.741 . 3.680 2.515 2.266 2.905 . 0 0 "[ . 1 . 2]" 1
201 1 19 LEU HB2 1 20 ALA H 2.596 . 3.439 2.783 2.469 3.897 0.458 16 0 "[ . 1 . 2]" 1
202 1 19 LEU HB3 1 19 LEU QD 1.810 . 2.220 1.657 1.637 1.704 . 0 0 "[ . 1 . 2]" 1
203 1 19 LEU QD 1 19 LEU HG 1.631 . 1.963 1.893 1.890 1.895 . 0 0 "[ . 1 . 2]" 1
204 1 19 LEU QD 1 19 LEU HG 1.833 . 2.253 1.824 1.807 1.880 . 0 0 "[ . 1 . 2]" 1
205 1 19 LEU QD 1 20 ALA H 4.210 . 6.426 4.123 3.854 4.320 . 0 0 "[ . 1 . 2]" 1
206 1 19 LEU QD 1 20 ALA H 3.727 . 5.463 3.422 3.097 3.668 . 0 0 "[ . 1 . 2]" 1
207 1 20 ALA H 1 20 ALA HA 2.415 . 3.144 2.805 2.791 2.817 . 0 0 "[ . 1 . 2]" 1
208 1 20 ALA H 1 20 ALA MB 1.674 . 2.024 2.219 2.208 2.229 0.205 20 0 "[ . 1 . 2]" 1
209 1 20 ALA H 1 21 GLU H 2.450 . 3.200 2.636 2.531 2.766 . 0 0 "[ . 1 . 2]" 1
210 1 20 ALA H 1 21 GLU QB 4.888 . 7.874 4.512 4.274 4.927 . 0 0 "[ . 1 . 2]" 1
211 1 20 ALA H 1 23 LYS QB 3.667 . 5.348 4.052 3.873 4.259 . 0 0 "[ . 1 . 2]" 1
212 1 20 ALA HA 1 23 LYS QD 3.799 . 5.603 3.785 3.254 4.533 . 0 0 "[ . 1 . 2]" 1
213 1 20 ALA MB 1 21 GLU H 2.604 . 3.452 2.586 2.246 2.771 . 0 0 "[ . 1 . 2]" 1
214 1 20 ALA MB 1 24 ARG H 4.114 . 6.230 3.820 2.638 4.191 . 0 0 "[ . 1 . 2]" 1
215 1 21 GLU H 1 21 GLU HA 2.649 . 3.526 2.807 2.762 2.845 . 0 0 "[ . 1 . 2]" 1
216 1 21 GLU H 1 21 GLU QB 2.341 . 3.026 2.310 2.193 2.453 . 0 0 "[ . 1 . 2]" 1
217 1 21 GLU H 1 21 GLU HG2 3.250 . 4.571 3.725 2.384 4.617 0.046 1 0 "[ . 1 . 2]" 1
218 1 21 GLU H 1 21 GLU HG3 4.192 . 6.389 3.987 2.733 4.489 . 0 0 "[ . 1 . 2]" 1
219 1 21 GLU H 1 22 ILE H 2.274 . 2.921 2.454 2.377 2.522 . 0 0 "[ . 1 . 2]" 1
220 1 21 GLU H 1 22 ILE HG13 4.740 . 7.548 4.009 3.938 4.106 . 0 0 "[ . 1 . 2]" 1
221 1 21 GLU HA 1 21 GLU QB 3.054 . 4.220 2.323 2.171 2.467 . 0 0 "[ . 1 . 2]" 1
222 1 21 GLU HA 1 21 GLU HG2 3.515 . 5.059 3.731 2.860 4.253 . 0 0 "[ . 1 . 2]" 1
223 1 21 GLU HA 1 21 GLU HG3 4.443 . 6.910 3.343 2.488 3.775 . 0 0 "[ . 1 . 2]" 1
224 1 21 GLU HA 1 24 ARG H 3.145 . 4.382 3.441 3.152 3.634 . 0 0 "[ . 1 . 2]" 1
225 1 21 GLU HA 1 24 ARG QB 3.365 . 4.780 2.750 2.420 3.222 . 0 0 "[ . 1 . 2]" 1
226 1 21 GLU QB 1 21 GLU HG2 2.390 . 3.104 2.217 2.133 2.376 . 0 0 "[ . 1 . 2]" 1
227 1 21 GLU QB 1 21 GLU HG3 2.418 . 3.149 2.345 2.162 2.505 . 0 0 "[ . 1 . 2]" 1
228 1 21 GLU QB 1 22 ILE H 2.998 . 4.121 2.679 2.260 3.432 . 0 0 "[ . 1 . 2]" 1
229 1 21 GLU QB 1 24 ARG H 4.087 . 6.175 4.268 4.150 4.423 . 0 0 "[ . 1 . 2]" 1
230 1 22 ILE H 1 22 ILE HA 2.462 . 3.220 2.787 2.759 2.807 . 0 0 "[ . 1 . 2]" 1
231 1 22 ILE H 1 22 ILE HB 2.164 . 2.749 2.456 2.418 2.492 . 0 0 "[ . 1 . 2]" 1
232 1 22 ILE H 1 22 ILE HB 2.183 . 2.779 2.233 2.198 2.263 . 0 0 "[ . 1 . 2]" 1
233 1 22 ILE H 1 22 ILE MD 2.866 . 3.893 3.473 3.362 3.544 . 0 0 "[ . 1 . 2]" 1
234 1 22 ILE H 1 22 ILE HG12 3.313 . 4.685 3.575 3.522 3.645 . 0 0 "[ . 1 . 2]" 1
235 1 22 ILE H 1 22 ILE HG13 2.597 . 3.440 2.231 2.157 2.302 . 0 0 "[ . 1 . 2]" 1
236 1 22 ILE H 1 22 ILE MG 3.199 . 4.478 3.744 3.731 3.759 . 0 0 "[ . 1 . 2]" 1
237 1 22 ILE H 1 22 ILE MG 2.887 . 3.929 2.465 2.082 2.914 . 0 0 "[ . 1 . 2]" 1
238 1 22 ILE HA 1 22 ILE MD 3.723 . 5.456 3.826 3.809 3.844 . 0 0 "[ . 1 . 2]" 1
239 1 22 ILE HA 1 22 ILE HG12 3.111 . 4.321 2.561 2.516 2.622 . 0 0 "[ . 1 . 2]" 1
240 1 22 ILE HA 1 22 ILE HG13 2.621 . 3.479 2.825 2.785 2.878 . 0 0 "[ . 1 . 2]" 1
241 1 22 ILE HA 1 22 ILE MG 2.362 . 3.059 2.484 2.452 2.513 . 0 0 "[ . 1 . 2]" 1
242 1 22 ILE HA 1 23 LYS H 3.547 . 5.120 3.540 3.521 3.554 . 0 0 "[ . 1 . 2]" 1
243 1 22 ILE HA 1 25 GLN H 3.322 . 4.702 3.561 3.206 3.946 . 0 0 "[ . 1 . 2]" 1
244 1 22 ILE HB 1 22 ILE MD 1.960 . 2.440 2.339 2.307 2.365 . 0 0 "[ . 1 . 2]" 1
245 1 22 ILE HB 1 22 ILE MD 1.557 . 1.860 1.920 1.785 1.960 0.100 6 0 "[ . 1 . 2]" 1
246 1 22 ILE HB 1 22 ILE HG12 2.713 . 3.633 3.014 3.008 3.019 . 0 0 "[ . 1 . 2]" 1
247 1 22 ILE HB 1 22 ILE MG 1.732 . 2.107 2.122 2.121 2.124 0.017 11 0 "[ . 1 . 2]" 1
248 1 22 ILE HB 1 23 LYS H 2.820 . 3.814 2.619 2.504 2.796 . 0 0 "[ . 1 . 2]" 1
249 1 22 ILE HB 1 23 LYS H 2.146 . 2.722 2.137 2.096 2.276 . 0 0 "[ . 1 . 2]" 1
250 1 22 ILE MD 1 22 ILE HG12 1.794 . 2.197 2.109 2.107 2.111 . 0 0 "[ . 1 . 2]" 1
251 1 22 ILE MD 1 22 ILE HG13 2.062 . 2.593 2.114 2.113 2.116 . 0 0 "[ . 1 . 2]" 1
252 1 22 ILE MD 1 22 ILE HG13 1.736 . 2.113 1.883 1.882 1.885 . 0 0 "[ . 1 . 2]" 1
253 1 22 ILE HG12 1 22 ILE MG 1.995 . 2.492 2.304 2.270 2.329 . 0 0 "[ . 1 . 2]" 1
254 1 22 ILE HG12 1 25 GLN H 4.705 . 7.472 4.289 3.476 5.084 . 0 0 "[ . 1 . 2]" 1
255 1 22 ILE HG13 1 22 ILE MG 2.635 . 3.503 3.186 3.178 3.192 . 0 0 "[ . 1 . 2]" 1
256 1 22 ILE MG 1 23 LYS H 2.858 . 3.879 3.244 3.150 3.405 . 0 0 "[ . 1 . 2]" 1
257 1 23 LYS H 1 23 LYS HA 2.714 . 3.635 2.801 2.781 2.815 . 0 0 "[ . 1 . 2]" 1
258 1 23 LYS H 1 23 LYS QB 2.780 . 3.746 2.267 2.222 2.415 . 0 0 "[ . 1 . 2]" 1
259 1 23 LYS H 1 23 LYS HG2 4.917 . 7.939 4.286 2.414 4.533 . 0 0 "[ . 1 . 2]" 1
260 1 23 LYS H 1 24 ARG H 2.521 . 3.316 2.704 2.643 2.806 . 0 0 "[ . 1 . 2]" 1
261 1 23 LYS H 1 25 GLN H 4.378 . 6.774 4.226 3.936 4.587 . 0 0 "[ . 1 . 2]" 1
262 1 23 LYS HA 1 23 LYS HG3 3.417 . 4.877 2.687 2.473 3.783 . 0 0 "[ . 1 . 2]" 1
263 1 23 LYS HA 1 24 ARG H 3.312 . 4.684 3.511 3.418 3.551 . 0 0 "[ . 1 . 2]" 1
264 1 23 LYS QD 1 23 LYS HG2 2.388 . 3.101 2.308 2.164 2.439 . 0 0 "[ . 1 . 2]" 1
265 1 23 LYS QD 1 23 LYS HG3 2.540 . 3.346 2.254 2.167 2.456 . 0 0 "[ . 1 . 2]" 1
266 1 23 LYS QE 1 23 LYS HG2 3.877 . 5.756 3.027 2.365 3.516 . 0 0 "[ . 1 . 2]" 1
267 1 23 LYS QE 1 23 LYS HG3 2.760 . 3.712 3.183 2.391 3.534 . 0 0 "[ . 1 . 2]" 1
268 1 24 ARG H 1 24 ARG HA 2.536 . 3.340 2.809 2.793 2.839 . 0 0 "[ . 1 . 2]" 1
269 1 24 ARG H 1 24 ARG QB 2.117 . 2.677 2.229 2.132 2.307 . 0 0 "[ . 1 . 2]" 1
270 1 24 ARG H 1 24 ARG HG3 4.177 . 6.358 4.366 3.834 4.568 . 0 0 "[ . 1 . 2]" 1
271 1 24 ARG H 1 25 GLN H 2.514 . 3.304 2.667 2.588 2.845 . 0 0 "[ . 1 . 2]" 1
272 1 24 ARG H 1 25 GLN HG2 4.191 . 6.387 3.976 3.568 4.322 . 0 0 "[ . 1 . 2]" 1
273 1 24 ARG HA 1 25 GLN H 3.201 . 4.482 3.497 3.431 3.560 . 0 0 "[ . 1 . 2]" 1
274 1 24 ARG QB 1 24 ARG HD3 4.475 . 6.978 3.048 2.363 3.538 . 0 0 "[ . 1 . 2]" 1
275 1 24 ARG QB 1 24 ARG HE 4.311 . 6.634 2.900 2.506 3.600 . 0 0 "[ . 1 . 2]" 1
276 1 24 ARG HD2 1 24 ARG HE 2.813 . 3.802 2.692 2.312 2.957 . 0 0 "[ . 1 . 2]" 1
277 1 24 ARG HD3 1 24 ARG HG2 2.968 . 4.069 2.771 2.334 3.029 . 0 0 "[ . 1 . 2]" 1
278 1 24 ARG HD3 1 24 ARG HG3 2.591 . 3.430 2.487 2.335 2.577 . 0 0 "[ . 1 . 2]" 1
279 1 24 ARG HE 1 24 ARG HG2 4.117 . 6.236 3.435 2.503 4.018 . 0 0 "[ . 1 . 2]" 1
280 1 25 GLN H 1 25 GLN HA 2.629 . 3.493 2.816 2.780 2.854 . 0 0 "[ . 1 . 2]" 1
281 1 25 GLN H 1 25 GLN HB2 2.332 . 3.012 2.873 2.425 3.629 0.617 2 7 "[ + *. * * *-*. 2]" 1
282 1 25 GLN H 1 25 GLN HG2 2.760 . 3.712 2.883 2.206 3.619 . 0 0 "[ . 1 . 2]" 1
283 1 25 GLN H 1 25 GLN HG3 3.826 . 5.656 3.074 2.223 3.842 . 0 0 "[ . 1 . 2]" 1
284 1 25 GLN H 1 26 ARG H 2.457 . 3.212 2.630 2.493 2.786 . 0 0 "[ . 1 . 2]" 1
285 1 25 GLN H 1 26 ARG QB 3.494 . 5.020 4.349 4.162 4.499 . 0 0 "[ . 1 . 2]" 1
286 1 25 GLN H 1 28 LEU HB2 3.875 . 5.752 4.864 4.554 5.255 . 0 0 "[ . 1 . 2]" 1
287 1 25 GLN HA 1 25 GLN QB 2.164 . 2.749 2.308 2.167 2.403 . 0 0 "[ . 1 . 2]" 1
288 1 25 GLN HA 1 25 GLN HG2 3.254 . 4.578 3.216 2.554 4.249 . 0 0 "[ . 1 . 2]" 1
289 1 25 GLN HA 1 25 GLN HG3 3.452 . 4.941 3.483 2.914 3.801 . 0 0 "[ . 1 . 2]" 1
290 1 25 GLN HA 1 26 ARG H 2.381 . 3.090 2.694 2.668 2.711 . 0 0 "[ . 1 . 2]" 1
291 1 25 GLN HA 1 29 ARG H 3.275 . 4.616 3.273 3.149 3.421 . 0 0 "[ . 1 . 2]" 1
292 1 25 GLN QB 1 25 GLN HG2 2.532 . 3.333 2.320 2.139 2.399 . 0 0 "[ . 1 . 2]" 1
293 1 25 GLN QB 1 25 GLN HG3 2.642 . 3.515 2.301 2.165 2.460 . 0 0 "[ . 1 . 2]" 1
294 1 25 GLN QB 1 29 ARG H 4.130 . 6.262 4.206 3.996 4.434 . 0 0 "[ . 1 . 2]" 1
295 1 25 GLN HB2 1 26 ARG H 2.299 . 2.960 2.299 2.082 2.520 . 0 0 "[ . 1 . 2]" 1
296 1 26 ARG H 1 26 ARG HB2 2.093 . 2.641 2.044 1.923 2.102 . 0 0 "[ . 1 . 2]" 1
297 1 26 ARG H 1 26 ARG HA 2.361 . 3.058 2.801 2.765 2.828 . 0 0 "[ . 1 . 2]" 1
298 1 26 ARG HA 1 26 ARG QB 2.470 . 3.232 2.345 2.306 2.393 . 0 0 "[ . 1 . 2]" 1
299 1 26 ARG QB 1 27 GLU H 2.739 . 3.677 2.350 2.080 2.560 . 0 0 "[ . 1 . 2]" 1
300 1 26 ARG QG 1 27 GLU HA 3.271 . 4.608 3.546 3.222 3.806 . 0 0 "[ . 1 . 2]" 1
301 1 27 GLU H 1 27 GLU HA 2.231 . 2.853 2.585 2.498 2.661 . 0 0 "[ . 1 . 2]" 1
302 1 27 GLU H 1 27 GLU QG 3.508 . 4.169 2.609 2.113 3.653 . 0 0 "[ . 1 . 2]" 1
303 1 27 GLU H 1 28 LEU QD 4.497 . 7.025 5.303 4.848 5.632 . 0 0 "[ . 1 . 2]" 1
304 1 27 GLU HA 1 27 GLU HB2 2.417 . 3.147 3.013 2.977 3.027 . 0 0 "[ . 1 . 2]" 1
305 1 27 GLU HA 1 27 GLU QG 2.435 . 3.176 2.747 2.333 3.017 . 0 0 "[ . 1 . 2]" 1
306 1 27 GLU HA 1 30 ALA H 2.656 . 3.538 3.048 2.856 3.242 . 0 0 "[ . 1 . 2]" 1
307 1 27 GLU HA 1 30 ALA MB 2.238 . 2.864 2.527 2.069 3.060 0.196 3 0 "[ . 1 . 2]" 1
308 1 27 GLU HB2 1 28 LEU H 3.069 . 4.247 2.834 2.519 3.127 . 0 0 "[ . 1 . 2]" 1
309 1 27 GLU HB2 1 30 ALA H 4.615 . 7.278 4.206 4.114 4.401 . 0 0 "[ . 1 . 2]" 1
310 1 27 GLU HB3 1 27 GLU QG 2.949 . 4.036 2.285 2.155 2.409 . 0 0 "[ . 1 . 2]" 1
311 1 27 GLU QG 1 28 LEU H 4.945 . 8.001 3.891 3.591 4.216 . 0 0 "[ . 1 . 2]" 1
312 1 28 LEU H 1 28 LEU HA 2.489 . 3.263 2.827 2.773 2.867 . 0 0 "[ . 1 . 2]" 1
313 1 28 LEU H 1 28 LEU HB2 2.089 . 2.635 2.308 2.062 2.468 . 0 0 "[ . 1 . 2]" 1
314 1 28 LEU H 1 28 LEU HB3 2.933 . 4.009 2.883 2.575 3.548 . 0 0 "[ . 1 . 2]" 1
315 1 28 LEU H 1 28 LEU MD1 3.030 . 4.177 3.933 3.674 4.295 0.118 2 0 "[ . 1 . 2]" 1
316 1 28 LEU H 1 28 LEU MD1 3.415 . 4.872 3.417 3.306 3.533 . 0 0 "[ . 1 . 2]" 1
317 1 28 LEU H 1 29 ARG H 2.469 . 3.231 2.632 2.474 2.748 . 0 0 "[ . 1 . 2]" 1
318 1 28 LEU HA 1 28 LEU HG 2.385 . 3.096 2.425 2.252 2.649 . 0 0 "[ . 1 . 2]" 1
319 1 28 LEU HA 1 31 GLN H 2.475 . 3.240 2.744 2.698 2.799 . 0 0 "[ . 1 . 2]" 1
320 1 28 LEU HB2 1 28 LEU QD 2.037 . 2.556 1.915 1.846 2.029 . 0 0 "[ . 1 . 2]" 1
321 1 28 LEU HB2 1 28 LEU MD1 1.529 . 1.821 1.726 1.713 1.760 . 0 0 "[ . 1 . 2]" 1
322 1 28 LEU HB2 1 29 ARG H 3.167 . 4.420 3.078 2.244 3.512 . 0 0 "[ . 1 . 2]" 1
323 1 28 LEU HB2 1 30 ALA H 4.534 . 7.103 3.949 3.752 4.447 . 0 0 "[ . 1 . 2]" 1
324 1 28 LEU HB3 1 29 ARG H 2.287 . 2.941 2.548 2.137 3.505 0.564 11 1 "[ . 1+ . 2]" 1
325 1 28 LEU HB3 1 30 ALA H 4.196 . 6.397 4.794 4.541 5.317 . 0 0 "[ . 1 . 2]" 1
326 1 28 LEU QD 1 29 ARG H 4.556 . 7.151 3.873 3.671 4.114 . 0 0 "[ . 1 . 2]" 1
327 1 29 ARG H 1 29 ARG HA 2.311 . 2.979 2.797 2.751 2.846 . 0 0 "[ . 1 . 2]" 1
328 1 29 ARG H 1 29 ARG HB2 2.144 . 2.718 2.385 2.226 2.494 . 0 0 "[ . 1 . 2]" 1
329 1 29 ARG H 1 30 ALA MB 4.721 . 7.506 4.358 4.244 4.507 . 0 0 "[ . 1 . 2]" 1
330 1 29 ARG H 1 33 ALA MB 5.450 . 9.163 5.967 5.542 6.432 . 0 0 "[ . 1 . 2]" 1
331 1 29 ARG HA 1 29 ARG QB 1.949 . 2.424 2.394 2.365 2.480 0.056 7 0 "[ . 1 . 2]" 1
332 1 29 ARG HA 1 32 GLN QB 1.705 . 2.069 2.043 1.821 2.435 0.366 12 0 "[ . 1 . 2]" 1
333 1 29 ARG QB 1 30 ALA H 2.705 . 3.620 2.859 2.454 3.051 . 0 0 "[ . 1 . 2]" 1
334 1 29 ARG QB 1 33 ALA H 3.526 . 5.080 4.502 3.999 4.993 . 0 0 "[ . 1 . 2]" 1
335 1 29 ARG HB3 1 30 ALA HA 2.843 . 3.854 2.391 2.146 2.502 . 0 0 "[ . 1 . 2]" 1
336 1 29 ARG QG 1 32 GLN H 3.647 . 5.309 4.667 4.166 5.187 . 0 0 "[ . 1 . 2]" 1
337 1 30 ALA H 1 30 ALA HA 2.447 . 3.196 2.827 2.748 2.866 . 0 0 "[ . 1 . 2]" 1
338 1 30 ALA H 1 30 ALA MB 1.902 . 2.354 2.236 2.194 2.264 . 0 0 "[ . 1 . 2]" 1
339 1 30 ALA H 1 31 GLN H 2.261 . 2.900 2.599 2.487 2.853 . 0 0 "[ . 1 . 2]" 1
340 1 30 ALA H 1 32 GLN QB 4.636 . 7.323 4.658 4.349 5.089 . 0 0 "[ . 1 . 2]" 1
341 1 30 ALA HA 1 36 ARG H 3.607 . 5.233 3.909 2.448 5.111 . 0 0 "[ . 1 . 2]" 1
342 1 30 ALA HA 1 34 ALA H 2.308 . 2.974 3.312 2.831 3.810 0.836 20 7 "[ * * * **- +]" 1
343 1 30 ALA MB 1 31 GLN H 2.538 . 3.343 2.569 2.178 2.841 . 0 0 "[ . 1 . 2]" 1
344 1 31 GLN H 1 31 GLN QB 2.176 . 2.768 2.262 2.159 2.343 . 0 0 "[ . 1 . 2]" 1
345 1 31 GLN H 1 31 GLN QB 2.584 . 3.419 2.053 2.001 2.137 . 0 0 "[ . 1 . 2]" 1
346 1 31 GLN H 1 31 GLN HG2 4.303 . 6.617 4.437 4.281 4.630 . 0 0 "[ . 1 . 2]" 1
347 1 31 GLN H 1 31 GLN HG2 4.805 . 7.691 4.087 3.664 4.448 . 0 0 "[ . 1 . 2]" 1
348 1 31 GLN H 1 31 GLN HG3 3.784 . 5.574 4.243 3.773 4.467 . 0 0 "[ . 1 . 2]" 1
349 1 31 GLN H 1 32 GLN H 2.279 . 2.928 2.436 2.178 2.838 . 0 0 "[ . 1 . 2]" 1
350 1 31 GLN HA 1 31 GLN QB 2.174 . 2.765 2.360 2.324 2.420 . 0 0 "[ . 1 . 2]" 1
351 1 31 GLN HA 1 31 GLN HG3 3.176 . 4.437 2.384 2.207 2.573 . 0 0 "[ . 1 . 2]" 1
352 1 31 GLN HA 1 32 GLN H 2.374 . 3.078 2.728 2.631 2.763 . 0 0 "[ . 1 . 2]" 1
353 1 31 GLN QB 1 31 GLN HG2 2.630 . 3.495 2.334 2.150 2.452 . 0 0 "[ . 1 . 2]" 1
354 1 31 GLN QB 1 31 GLN HG3 2.415 . 3.144 2.335 2.148 2.446 . 0 0 "[ . 1 . 2]" 1
355 1 31 GLN HB2 1 32 GLN H 2.382 . 3.092 2.299 2.203 2.381 . 0 0 "[ . 1 . 2]" 1
356 1 31 GLN HE22 1 31 GLN HG2 4.350 . 6.715 2.781 2.197 3.309 . 0 0 "[ . 1 . 2]" 1
357 1 31 GLN HE22 1 31 GLN HG3 3.953 . 5.906 3.079 2.235 3.313 . 0 0 "[ . 1 . 2]" 1
358 1 31 GLN HG2 1 32 GLN H 4.113 . 6.228 3.063 2.551 3.865 . 0 0 "[ . 1 . 2]" 1
359 1 32 GLN H 1 32 GLN HA 2.307 . 2.973 2.859 2.711 2.898 . 0 0 "[ . 1 . 2]" 1
360 1 32 GLN H 1 32 GLN QB 2.026 . 2.539 2.314 2.213 2.412 . 0 0 "[ . 1 . 2]" 1
361 1 32 GLN H 1 32 GLN HG2 2.856 . 3.875 3.535 2.232 4.406 0.531 6 2 "[ -+ 1 . 2]" 1
362 1 32 GLN H 1 32 GLN HG3 4.080 . 6.161 3.317 2.570 4.496 . 0 0 "[ . 1 . 2]" 1
363 1 32 GLN H 1 33 ALA MB 4.012 . 6.024 4.064 3.779 4.471 . 0 0 "[ . 1 . 2]" 1
364 1 32 GLN H 1 34 ALA H 3.276 . 4.617 3.793 3.365 4.485 . 0 0 "[ . 1 . 2]" 1
365 1 32 GLN HA 1 33 ALA H 2.299 . 2.960 2.744 2.732 2.768 . 0 0 "[ . 1 . 2]" 1
366 1 32 GLN QB 1 33 ALA H 2.367 . 3.067 2.364 2.234 2.665 . 0 0 "[ . 1 . 2]" 1
367 1 32 GLN HG2 1 33 ALA H 4.878 . 7.852 4.571 3.575 4.966 . 0 0 "[ . 1 . 2]" 1
368 1 32 GLN HG3 1 33 ALA H 5.100 . 8.351 4.587 4.316 5.117 . 0 0 "[ . 1 . 2]" 1
369 1 33 ALA H 1 33 ALA MB 1.853 . 2.282 2.230 2.205 2.247 . 0 0 "[ . 1 . 2]" 1
370 1 33 ALA H 1 34 ALA H 2.389 . 3.103 2.502 2.424 2.644 . 0 0 "[ . 1 . 2]" 1
371 1 33 ALA HA 1 33 ALA MB 1.674 . 2.024 1.891 1.887 1.897 . 0 0 "[ . 1 . 2]" 1
372 1 33 ALA MB 1 34 ALA H 1.930 . 2.396 2.457 2.194 2.843 0.447 20 0 "[ . 1 . 2]" 1
373 1 33 ALA MB 1 36 ARG H 3.636 . 5.289 3.446 2.613 4.116 . 0 0 "[ . 1 . 2]" 1
374 1 33 ALA MB 1 35 GLY H 2.607 . 3.456 2.793 2.471 4.090 0.634 1 1 "[+ . 1 . 2]" 1
375 1 34 ALA H 1 34 ALA HA 2.300 . 2.961 2.318 2.260 2.874 . 0 0 "[ . 1 . 2]" 1
376 1 34 ALA H 1 35 GLY H 2.311 . 2.979 2.651 2.366 2.974 . 0 0 "[ . 1 . 2]" 1
377 1 34 ALA HA 1 34 ALA MB 1.690 . 2.047 2.120 2.115 2.130 0.083 15 0 "[ . 1 . 2]" 1
378 1 34 ALA HA 1 35 GLY H 2.629 . 3.493 3.056 2.486 3.535 0.042 15 0 "[ . 1 . 2]" 1
379 1 34 ALA MB 1 35 GLY H 2.987 . 4.102 3.389 2.377 3.703 . 0 0 "[ . 1 . 2]" 1
380 1 35 GLY H 1 35 GLY QA 2.204 . 2.811 2.323 2.197 2.493 . 0 0 "[ . 1 . 2]" 1
381 1 35 GLY QA 1 36 ARG H 2.569 . 3.394 2.679 2.265 2.918 . 0 0 "[ . 1 . 2]" 1
382 1 36 ARG H 1 36 ARG HA 2.593 . 3.433 2.758 2.240 2.942 . 0 0 "[ . 1 . 2]" 1
383 1 36 ARG H 1 36 ARG HB2 2.441 . 3.186 2.962 2.393 3.975 0.789 13 2 "[ - . 1 + . 2]" 1
384 1 36 ARG H 1 36 ARG HB3 3.597 . 5.215 3.386 2.459 4.044 . 0 0 "[ . 1 . 2]" 1
385 1 36 ARG H 1 36 ARG QG 3.082 . 4.269 3.195 2.279 4.227 . 0 0 "[ . 1 . 2]" 1
386 1 36 ARG H 1 37 SER H 3.090 . 4.284 3.105 2.441 4.418 0.134 20 0 "[ . 1 . 2]" 1
387 1 36 ARG HA 1 37 SER H 2.271 . 2.916 2.379 1.901 2.823 . 0 0 "[ . 1 . 2]" 1
388 1 36 ARG HB2 1 37 SER H 4.318 . 6.648 4.309 3.620 4.618 . 0 0 "[ . 1 . 2]" 1
389 1 36 ARG HB3 1 36 ARG QD 2.328 . 3.005 2.121 1.854 2.404 . 0 0 "[ . 1 . 2]" 1
390 1 36 ARG HB3 1 37 SER H 3.999 . 5.998 3.812 2.763 3.998 . 0 0 "[ . 1 . 2]" 1
391 1 36 ARG HG2 1 37 SER H 4.039 . 6.078 3.541 2.736 3.857 . 0 0 "[ . 1 . 2]" 1
392 1 37 SER H 1 37 SER HA 2.689 . 3.593 2.698 2.260 2.944 . 0 0 "[ . 1 . 2]" 1
393 1 37 SER H 1 37 SER HA 2.216 . 2.830 2.460 2.132 2.713 . 0 0 "[ . 1 . 2]" 1
394 1 37 SER H 1 37 SER QB 3.027 . 4.172 3.090 2.627 3.421 . 0 0 "[ . 1 . 2]" 1
395 1 37 SER H 1 37 SER QB 3.053 . 4.218 2.546 2.316 2.811 . 0 0 "[ . 1 . 2]" 1
396 1 37 SER H 1 37 SER QB 3.821 . 5.646 2.998 2.578 3.379 . 0 0 "[ . 1 . 2]" 1
397 1 37 SER HA 1 38 ILE H 2.094 . 2.642 2.339 2.116 2.647 0.005 1 0 "[ . 1 . 2]" 1
398 1 37 SER HA 1 38 ILE H 2.024 . 2.536 2.183 1.955 2.460 . 0 0 "[ . 1 . 2]" 1
399 1 37 SER QB 1 38 ILE H 4.048 . 6.097 3.780 3.134 4.008 . 0 0 "[ . 1 . 2]" 1
400 1 37 SER QB 1 38 ILE H 3.200 . 4.480 2.535 2.310 2.735 . 0 0 "[ . 1 . 2]" 1
401 1 37 SER HB2 1 38 ILE H 3.481 . 4.996 2.598 2.367 2.819 . 0 0 "[ . 1 . 2]" 1
402 1 38 ILE H 1 38 ILE HA 2.835 . 3.840 2.671 2.269 2.948 . 0 0 "[ . 1 . 2]" 1
403 1 38 ILE H 1 38 ILE HB 2.478 . 3.246 2.668 2.342 3.147 . 0 0 "[ . 1 . 2]" 1
404 1 38 ILE H 1 38 ILE MD 3.434 . 4.908 4.028 3.625 4.394 . 0 0 "[ . 1 . 2]" 1
405 1 38 ILE H 1 38 ILE HG12 4.008 . 6.016 3.511 2.320 3.883 . 0 0 "[ . 1 . 2]" 1
406 1 38 ILE H 1 38 ILE HG13 2.888 . 3.931 2.700 2.368 2.947 . 0 0 "[ . 1 . 2]" 1
407 1 38 ILE H 1 38 ILE MG 3.460 . 4.957 3.338 2.877 3.530 . 0 0 "[ . 1 . 2]" 1
408 1 38 ILE H 1 39 THR H 2.923 . 3.991 3.475 2.723 4.430 0.439 5 0 "[ . 1 . 2]" 1
409 1 38 ILE HA 1 38 ILE HB 2.623 . 3.483 2.969 2.477 3.027 . 0 0 "[ . 1 . 2]" 1
410 1 38 ILE HA 1 38 ILE MD 3.863 . 5.728 3.908 3.843 4.179 . 0 0 "[ . 1 . 2]" 1
411 1 38 ILE HA 1 38 ILE MG 2.437 . 3.179 2.358 2.300 2.414 . 0 0 "[ . 1 . 2]" 1
412 1 38 ILE HA 1 39 THR H 2.279 . 2.928 2.339 2.139 2.663 . 0 0 "[ . 1 . 2]" 1
413 1 38 ILE HA 1 39 THR H 2.321 . 2.994 2.171 1.928 2.373 . 0 0 "[ . 1 . 2]" 1
414 1 38 ILE HA 1 39 THR H 2.091 . 2.638 2.080 1.890 2.258 . 0 0 "[ . 1 . 2]" 1
415 1 38 ILE HB 1 38 ILE MD 1.848 . 2.275 2.355 2.315 2.384 0.109 5 0 "[ . 1 . 2]" 1
416 1 38 ILE HB 1 38 ILE HG13 2.797 . 3.775 2.074 2.057 2.082 . 0 0 "[ . 1 . 2]" 1
417 1 38 ILE HB 1 38 ILE MG 1.749 . 2.131 2.125 2.116 2.129 . 0 0 "[ . 1 . 2]" 1
418 1 38 ILE HB 1 38 ILE MG 1.537 . 1.832 1.687 1.685 1.689 . 0 0 "[ . 1 . 2]" 1
419 1 38 ILE MD 1 38 ILE HG12 1.546 . 1.845 1.679 1.677 1.680 . 0 0 "[ . 1 . 2]" 1
420 1 38 ILE MD 1 38 ILE HG13 1.705 . 2.068 1.762 1.761 1.763 . 0 0 "[ . 1 . 2]" 1
421 1 38 ILE HG12 1 38 ILE MG 1.740 . 2.119 1.851 1.818 1.868 . 0 0 "[ . 1 . 2]" 1
422 1 38 ILE MG 1 39 THR H 3.338 . 4.730 3.644 2.916 4.357 . 0 0 "[ . 1 . 2]" 1
423 1 39 THR H 1 39 THR HA 2.897 . 3.946 2.928 2.796 2.947 . 0 0 "[ . 1 . 2]" 1
424 1 39 THR H 1 39 THR HB 2.719 . 3.643 2.759 2.559 2.963 . 0 0 "[ . 1 . 2]" 1
425 1 39 THR H 1 39 THR HB 2.628 . 3.491 2.415 2.322 2.473 . 0 0 "[ . 1 . 2]" 1
426 1 39 THR H 1 39 THR MG 3.751 . 5.510 3.891 3.739 3.978 . 0 0 "[ . 1 . 2]" 1
427 1 39 THR HA 1 39 THR MG 2.252 . 2.886 2.333 2.279 2.403 . 0 0 "[ . 1 . 2]" 1
428 1 39 THR HA 1 40 PRO HD2 2.357 . 3.051 2.469 2.277 2.620 . 0 0 "[ . 1 . 2]" 1
429 1 39 THR HA 1 40 PRO HD3 2.436 . 3.177 2.210 2.075 2.453 . 0 0 "[ . 1 . 2]" 1
430 1 39 THR HB 1 39 THR MG 1.925 . 2.388 2.134 2.132 2.136 . 0 0 "[ . 1 . 2]" 1
431 1 39 THR MG 1 40 PRO HD2 3.427 . 4.895 3.432 2.816 3.765 . 0 0 "[ . 1 . 2]" 1
432 1 39 THR MG 1 40 PRO HD2 3.461 . 4.958 2.905 2.592 3.191 . 0 0 "[ . 1 . 2]" 1
433 1 39 THR MG 1 40 PRO HD3 3.747 . 5.502 3.973 3.702 4.249 . 0 0 "[ . 1 . 2]" 1
434 1 39 THR MG 1 40 PRO HD3 3.793 . 5.591 3.466 3.285 3.632 . 0 0 "[ . 1 . 2]" 1
435 1 39 THR MG 1 41 SER QB 3.512 . 5.054 2.732 2.293 3.537 . 0 0 "[ . 1 . 2]" 1
436 1 40 PRO HA 1 41 SER H 2.151 . 2.729 2.228 2.128 2.655 . 0 0 "[ . 1 . 2]" 1
437 1 40 PRO HB2 1 41 SER H 4.040 . 6.080 4.083 3.620 4.343 . 0 0 "[ . 1 . 2]" 1
438 1 40 PRO HB3 1 41 SER H 3.681 . 5.374 3.937 3.320 4.627 . 0 0 "[ . 1 . 2]" 1
439 1 40 PRO HD2 1 40 PRO HG2 2.239 . 2.866 1.958 1.916 1.980 . 0 0 "[ . 1 . 2]" 1
440 1 40 PRO HD3 1 40 PRO HG3 2.709 . 3.626 2.319 2.268 2.332 . 0 0 "[ . 1 . 2]" 1
441 1 41 SER H 1 41 SER QB 3.015 . 4.152 2.757 2.401 3.340 . 0 0 "[ . 1 . 2]" 1
442 1 41 SER HA 1 42 GLU H 2.266 . 2.908 2.514 2.119 3.433 0.525 12 1 "[ . 1 + . 2]" 1
443 1 41 SER HA 1 42 GLU QG 4.047 . 6.094 4.175 3.451 4.845 . 0 0 "[ . 1 . 2]" 1
444 1 41 SER QB 1 42 GLU H 4.356 . 6.728 3.577 3.275 3.791 . 0 0 "[ . 1 . 2]" 1
445 1 41 SER HB3 1 42 GLU H 3.237 . 4.547 2.877 2.608 3.241 . 0 0 "[ . 1 . 2]" 1
446 1 42 GLU H 1 42 GLU HA 2.621 . 3.480 2.464 2.024 2.627 . 0 0 "[ . 1 . 2]" 1
447 1 42 GLU H 1 42 GLU HB3 2.799 . 3.778 2.997 2.569 3.720 . 0 0 "[ . 1 . 2]" 1
448 1 42 GLU H 1 42 GLU QG 4.094 . 6.189 4.142 4.003 4.315 . 0 0 "[ . 1 . 2]" 1
449 1 42 GLU H 1 42 GLU QG 3.933 . 5.866 3.309 2.750 3.611 . 0 0 "[ . 1 . 2]" 1
450 1 42 GLU H 1 43 LEU H 2.726 . 3.655 3.018 2.532 3.684 0.029 12 0 "[ . 1 . 2]" 1
451 1 42 GLU HA 1 42 GLU HB2 2.447 . 3.196 2.309 2.193 2.429 . 0 0 "[ . 1 . 2]" 1
452 1 42 GLU HA 1 42 GLU HB3 2.331 . 3.010 3.018 3.006 3.027 0.017 19 0 "[ . 1 . 2]" 1
453 1 42 GLU HA 1 43 LEU H 2.296 . 2.955 2.544 2.236 2.857 . 0 0 "[ . 1 . 2]" 1
454 1 42 GLU HB2 1 42 GLU QG 2.142 . 2.716 1.925 1.842 1.971 . 0 0 "[ . 1 . 2]" 1
455 1 42 GLU HB2 1 42 GLU QG 2.377 . 3.083 2.013 1.978 2.135 . 0 0 "[ . 1 . 2]" 1
456 1 42 GLU HB2 1 43 LEU H 3.774 . 5.554 4.294 3.960 4.472 . 0 0 "[ . 1 . 2]" 1
457 1 43 LEU H 1 43 LEU QB 2.538 . 3.343 2.651 2.273 3.294 . 0 0 "[ . 1 . 2]" 1
458 1 43 LEU H 1 43 LEU MD1 4.004 . 6.008 4.163 2.707 4.564 . 0 0 "[ . 1 . 2]" 1
459 1 43 LEU H 1 43 LEU MD2 3.089 . 4.282 2.876 2.578 3.301 . 0 0 "[ . 1 . 2]" 1
460 1 43 LEU H 1 44 VAL H 2.895 . 3.942 3.180 2.706 4.161 0.219 17 0 "[ . 1 . 2]" 1
461 1 43 LEU HA 1 43 LEU QB 2.217 . 2.831 2.399 2.169 2.509 . 0 0 "[ . 1 . 2]" 1
462 1 43 LEU HA 1 43 LEU QB 2.764 . 3.719 2.212 2.121 2.390 . 0 0 "[ . 1 . 2]" 1
463 1 43 LEU HA 1 43 LEU QB 2.772 . 3.733 2.191 2.029 2.369 . 0 0 "[ . 1 . 2]" 1
464 1 43 LEU HA 1 43 LEU HG 2.766 . 3.722 2.483 2.231 2.720 . 0 0 "[ . 1 . 2]" 1
465 1 43 LEU HA 1 44 VAL H 2.266 . 2.908 2.516 2.147 2.847 . 0 0 "[ . 1 . 2]" 1
466 1 43 LEU HA 1 44 VAL QG 3.163 . 4.414 3.901 3.214 4.369 . 0 0 "[ . 1 . 2]" 1
467 1 43 LEU QB 1 44 VAL H 3.995 . 5.990 3.748 3.127 3.932 . 0 0 "[ . 1 . 2]" 1
468 1 43 LEU MD2 1 43 LEU HG 1.900 . 2.351 1.625 1.623 1.626 . 0 0 "[ . 1 . 2]" 1
469 1 44 VAL H 1 44 VAL HA 2.841 . 3.850 2.790 2.270 2.948 . 0 0 "[ . 1 . 2]" 1
470 1 44 VAL H 1 44 VAL HB 2.626 . 3.488 2.853 2.517 3.630 0.142 6 0 "[ . 1 . 2]" 1
471 1 44 VAL H 1 44 VAL QG 2.768 . 3.725 2.506 2.093 3.038 . 0 0 "[ . 1 . 2]" 1
472 1 44 VAL H 1 45 SER H 3.226 . 4.527 3.645 3.147 4.191 . 0 0 "[ . 1 . 2]" 1
473 1 44 VAL HA 1 44 VAL QG 2.234 . 2.841 2.157 2.122 2.329 . 0 0 "[ . 1 . 2]" 1
474 1 44 VAL HA 1 44 VAL QG 1.895 . 2.344 2.006 1.972 2.110 . 0 0 "[ . 1 . 2]" 1
475 1 44 VAL HA 1 45 SER H 2.084 . 2.627 2.291 2.103 2.530 . 0 0 "[ . 1 . 2]" 1
476 1 44 VAL HB 1 44 VAL QG 1.730 . 2.044 1.892 1.881 1.895 . 0 0 "[ . 1 . 2]" 1
477 1 44 VAL HB 1 44 VAL QG 1.669 . 2.017 1.685 1.681 1.687 . 0 0 "[ . 1 . 2]" 1
478 1 44 VAL HB 1 45 SER H 3.752 . 5.512 4.424 4.270 4.609 . 0 0 "[ . 1 . 2]" 1
479 1 44 VAL QG 1 45 SER H 3.606 . 5.232 3.398 2.864 3.681 . 0 0 "[ . 1 . 2]" 1
480 1 45 SER H 1 45 SER QB 3.010 . 4.142 2.930 2.634 3.347 . 0 0 "[ . 1 . 2]" 1
481 1 45 SER H 1 46 PRO HD3 2.892 . 3.937 2.972 2.435 3.922 . 0 0 "[ . 1 . 2]" 1
482 1 45 SER HA 1 46 PRO HD2 2.882 . 3.920 2.684 2.317 2.935 . 0 0 "[ . 1 . 2]" 1
483 1 45 SER HA 1 46 PRO HD3 2.193 . 2.794 2.311 2.042 2.822 0.028 17 0 "[ . 1 . 2]" 1
484 1 45 SER HA 1 46 PRO HD3 2.089 . 2.634 1.989 1.855 2.149 . 0 0 "[ . 1 . 2]" 1
485 1 45 SER HB2 1 47 THR H 3.381 . 4.810 2.893 2.495 3.223 . 0 0 "[ . 1 . 2]" 1
486 1 46 PRO HA 1 47 THR H 3.194 . 4.469 2.411 2.136 2.535 . 0 0 "[ . 1 . 2]" 1
487 1 46 PRO HB2 1 46 PRO HD3 4.100 . 6.201 3.105 2.638 3.387 . 0 0 "[ . 1 . 2]" 1
488 1 46 PRO HB2 1 47 THR H 4.303 . 6.618 4.113 3.266 4.329 . 0 0 "[ . 1 . 2]" 1
489 1 46 PRO HB3 1 46 PRO HD2 4.050 . 6.100 2.889 2.788 3.269 . 0 0 "[ . 1 . 2]" 1
490 1 46 PRO HB3 1 46 PRO HD3 4.096 . 6.193 3.449 2.992 3.539 . 0 0 "[ . 1 . 2]" 1
491 1 46 PRO HB3 1 47 THR H 4.255 . 6.518 4.368 3.983 4.603 . 0 0 "[ . 1 . 2]" 1
492 1 46 PRO HD2 1 46 PRO HG3 2.343 . 3.029 2.165 2.130 2.190 . 0 0 "[ . 1 . 2]" 1
493 1 46 PRO HD2 1 47 THR H 3.766 . 5.539 3.506 2.663 4.448 . 0 0 "[ . 1 . 2]" 1
494 1 46 PRO HD3 1 46 PRO HG2 2.093 . 2.641 1.920 1.900 1.951 . 0 0 "[ . 1 . 2]" 1
495 1 46 PRO QG 1 47 THR H 4.536 . 7.108 4.165 3.582 4.516 . 0 0 "[ . 1 . 2]" 1
496 1 47 THR H 1 47 THR HB 2.880 . 3.917 2.678 2.583 2.806 . 0 0 "[ . 1 . 2]" 1
497 1 47 THR H 1 47 THR MG 3.820 . 5.645 3.838 3.768 3.872 . 0 0 "[ . 1 . 2]" 1
498 1 47 THR HA 1 47 THR MG 2.188 . 2.786 2.306 2.221 2.390 . 0 0 "[ . 1 . 2]" 1
499 1 47 THR HA 1 48 PRO HD2 2.115 . 2.674 2.433 1.941 2.721 0.047 3 0 "[ . 1 . 2]" 1
500 1 47 THR HA 1 48 PRO HD3 2.913 . 3.974 2.206 1.931 2.719 . 0 0 "[ . 1 . 2]" 1
501 1 47 THR HB 1 47 THR MG 1.949 . 2.424 2.132 2.129 2.136 . 0 0 "[ . 1 . 2]" 1
502 1 48 PRO HA 1 49 SER H 2.249 . 2.881 2.328 2.040 2.780 . 0 0 "[ . 1 . 2]" 1
503 1 48 PRO HA 1 49 SER H 2.044 . 2.566 2.160 1.952 2.522 . 0 0 "[ . 1 . 2]" 1
504 1 48 PRO HB2 1 49 SER H 4.854 . 7.800 4.211 3.457 4.363 . 0 0 "[ . 1 . 2]" 1
505 1 48 PRO HB3 1 49 SER H 4.334 . 6.682 4.459 4.010 4.660 . 0 0 "[ . 1 . 2]" 1
506 1 49 SER H 1 49 SER QB 3.182 . 4.448 2.800 2.377 3.323 . 0 0 "[ . 1 . 2]" 1
507 1 49 SER HA 1 50 ARG H 2.405 . 3.128 2.384 2.154 2.929 . 0 0 "[ . 1 . 2]" 1
508 1 49 SER HA 1 50 ARG HB2 3.475 . 4.985 4.624 4.040 5.709 0.724 10 2 "[ . +- . 2]" 1
509 1 49 SER QB 1 50 ARG H 4.187 . 6.378 3.430 3.156 3.568 . 0 0 "[ . 1 . 2]" 1
510 1 50 ARG H 1 50 ARG HB2 2.856 . 3.876 2.756 2.483 3.222 . 0 0 "[ . 1 . 2]" 1
511 1 50 ARG H 1 50 ARG HB3 2.996 . 4.118 2.944 2.632 3.575 . 0 0 "[ . 1 . 2]" 1
512 1 50 ARG HA 1 51 ALA H 2.292 . 2.949 2.417 2.120 3.497 0.548 15 1 "[ . 1 + 2]" 1
513 1 50 ARG HB2 1 50 ARG HD2 2.924 . 3.993 2.377 1.972 2.738 . 0 0 "[ . 1 . 2]" 1
514 1 50 ARG HB2 1 50 ARG QG 2.045 . 2.568 1.926 1.812 2.021 . 0 0 "[ . 1 . 2]" 1
515 1 50 ARG HB2 1 51 ALA H 4.611 . 7.268 4.132 2.714 4.636 . 0 0 "[ . 1 . 2]" 1
516 1 50 ARG HB3 1 50 ARG QD 3.809 . 5.622 2.504 2.102 2.827 . 0 0 "[ . 1 . 2]" 1
517 1 50 ARG HB3 1 50 ARG HD2 3.670 . 5.353 2.532 2.094 2.993 . 0 0 "[ . 1 . 2]" 1
518 1 50 ARG HB3 1 50 ARG QG 1.870 . 2.307 1.856 1.799 1.973 . 0 0 "[ . 1 . 2]" 1
519 1 50 ARG QD 1 50 ARG HG3 2.003 . 2.505 2.125 2.119 2.133 . 0 0 "[ . 1 . 2]" 1
520 1 51 ALA H 1 51 ALA HA 2.638 . 3.508 2.736 2.266 2.942 . 0 0 "[ . 1 . 2]" 1
521 1 51 ALA H 1 51 ALA MB 2.284 . 2.936 2.478 2.238 2.894 . 0 0 "[ . 1 . 2]" 1
522 1 51 ALA HA 1 51 ALA MB 1.849 . 2.276 2.125 2.122 2.133 . 0 0 "[ . 1 . 2]" 1
523 1 51 ALA HA 1 51 ALA MB 1.715 . 2.083 1.894 1.890 1.898 . 0 0 "[ . 1 . 2]" 1
524 1 51 ALA HA 1 52 ASN H 2.478 . 3.245 2.474 2.180 3.038 . 0 0 "[ . 1 . 2]" 1
525 1 51 ALA MB 1 52 ASN H 4.092 . 6.185 3.637 3.457 3.717 . 0 0 "[ . 1 . 2]" 1
526 1 52 ASN H 1 52 ASN HB2 4.200 . 6.405 2.679 2.172 3.272 . 0 0 "[ . 1 . 2]" 1
527 1 52 ASN H 1 52 ASN HB3 3.016 . 4.153 3.388 2.595 4.108 . 0 0 "[ . 1 . 2]" 1
528 1 52 ASN H 1 53 SER H 3.531 . 5.089 3.400 2.777 4.494 . 0 0 "[ . 1 . 2]" 1
529 1 52 ASN HA 1 52 ASN HB2 2.781 . 3.747 2.778 2.439 3.038 . 0 0 "[ . 1 . 2]" 1
530 1 52 ASN HA 1 53 SER H 2.734 . 3.668 2.474 2.164 2.894 . 0 0 "[ . 1 . 2]" 1
531 1 52 ASN HB2 1 52 ASN HD21 4.346 . 6.707 2.215 1.977 2.700 0.008 12 0 "[ . 1 . 2]" 1
532 1 52 ASN HB2 1 53 SER H 4.838 . 7.764 4.419 4.007 4.647 . 0 0 "[ . 1 . 2]" 1
533 1 53 SER H 1 53 SER HA 2.656 . 3.538 2.393 2.182 2.613 . 0 0 "[ . 1 . 2]" 1
534 1 53 SER H 1 53 SER HB2 2.808 . 3.794 2.672 2.341 3.159 . 0 0 "[ . 1 . 2]" 1
535 1 53 SER H 1 53 SER HB2 3.180 . 4.444 2.507 2.273 2.909 . 0 0 "[ . 1 . 2]" 1
536 1 53 SER H 1 53 SER HB3 3.500 . 5.031 2.503 2.259 2.780 . 0 0 "[ . 1 . 2]" 1
537 1 53 SER HA 1 53 SER HB2 2.273 . 2.919 2.052 1.945 2.207 . 0 0 "[ . 1 . 2]" 1
538 1 53 SER HA 1 54 ARG H 2.360 . 3.056 2.410 2.139 2.931 . 0 0 "[ . 1 . 2]" 1
539 1 53 SER HB3 1 54 ARG H 3.880 . 5.762 4.318 3.868 4.655 . 0 0 "[ . 1 . 2]" 1
540 1 54 ARG H 1 54 ARG HA 2.696 . 3.604 2.822 2.272 2.952 . 0 0 "[ . 1 . 2]" 1
541 1 54 ARG H 1 54 ARG HB2 2.537 . 3.341 2.656 2.300 3.221 . 0 0 "[ . 1 . 2]" 1
542 1 54 ARG H 1 54 ARG HB3 3.324 . 4.705 3.213 2.471 3.757 . 0 0 "[ . 1 . 2]" 1
543 1 54 ARG H 1 54 ARG HB3 3.554 . 5.133 3.115 2.458 3.568 . 0 0 "[ . 1 . 2]" 1
544 1 54 ARG H 1 54 ARG QG 4.018 . 6.037 3.782 2.516 4.220 . 0 0 "[ . 1 . 2]" 1
545 1 54 ARG HA 1 54 ARG QD 3.045 . 4.204 2.568 2.053 3.259 . 0 0 "[ . 1 . 2]" 1
546 1 54 ARG HB3 1 55 ARG H 3.039 . 4.194 2.837 2.417 3.551 . 0 0 "[ . 1 . 2]" 1
547 1 54 ARG HG2 1 55 ARG H 3.793 . 5.592 3.917 3.611 4.143 . 0 0 "[ . 1 . 2]" 1
548 1 54 ARG HG2 1 55 ARG H 3.954 . 5.908 3.549 2.983 3.828 . 0 0 "[ . 1 . 2]" 1
549 1 55 ARG H 1 55 ARG HB2 2.598 . 3.442 3.004 2.374 3.588 0.146 3 0 "[ . 1 . 2]" 1
550 1 55 ARG HA 1 56 GLU H 2.303 . 2.966 2.188 1.925 2.741 . 0 0 "[ . 1 . 2]" 1
551 1 55 ARG HB3 1 56 GLU H 4.013 . 6.026 3.038 1.980 3.681 0.020 13 0 "[ . 1 . 2]" 1
552 1 56 GLU H 1 56 GLU QB 2.537 . 3.341 2.830 2.261 3.365 0.024 17 0 "[ . 1 . 2]" 1
553 1 56 GLU H 1 56 GLU QB 2.941 . 4.022 2.658 2.253 3.024 . 0 0 "[ . 1 . 2]" 1
554 1 56 GLU H 1 56 GLU QB 2.811 . 3.799 2.159 2.007 2.366 . 0 0 "[ . 1 . 2]" 1
555 1 56 GLU H 1 56 GLU QG 3.583 . 5.188 3.671 2.817 4.423 . 0 0 "[ . 1 . 2]" 1
556 1 56 GLU H 1 56 GLU QG 4.310 . 6.633 3.373 2.768 3.751 . 0 0 "[ . 1 . 2]" 1
557 1 56 GLU H 1 57 ILE H 3.042 . 4.199 3.540 3.008 4.064 . 0 0 "[ . 1 . 2]" 1
558 1 56 GLU HA 1 56 GLU QG 2.905 . 3.960 2.733 2.359 3.378 . 0 0 "[ . 1 . 2]" 1
559 1 56 GLU HA 1 56 GLU QG 2.930 . 4.003 2.636 2.335 3.140 . 0 0 "[ . 1 . 2]" 1
560 1 56 GLU HA 1 56 GLU HG3 3.227 . 4.528 2.631 2.255 2.878 . 0 0 "[ . 1 . 2]" 1
561 1 56 GLU HA 1 57 ILE H 2.194 . 2.795 2.233 2.099 2.388 . 0 0 "[ . 1 . 2]" 1
562 1 56 GLU HA 1 58 GLU H 2.902 . 3.955 2.671 2.540 2.766 . 0 0 "[ . 1 . 2]" 1
563 1 56 GLU QB 1 56 GLU HG3 2.412 . 3.139 2.071 2.012 2.222 . 0 0 "[ . 1 . 2]" 1
564 1 56 GLU QB 1 57 ILE H 3.316 . 4.691 3.731 3.099 4.006 . 0 0 "[ . 1 . 2]" 1
565 1 56 GLU QB 1 59 SER H 3.035 . 4.187 3.133 2.652 3.711 . 0 0 "[ . 1 . 2]" 1
566 1 56 GLU QG 1 57 ILE H 4.733 . 7.533 4.489 3.942 4.807 . 0 0 "[ . 1 . 2]" 1
567 1 56 GLU HG2 1 58 GLU H 3.903 . 5.807 4.224 3.505 4.446 . 0 0 "[ . 1 . 2]" 1
568 1 56 GLU HG2 1 59 SER H 4.551 . 7.140 3.938 3.558 4.647 . 0 0 "[ . 1 . 2]" 1
569 1 57 ILE H 1 57 ILE HA 2.661 . 3.546 2.853 2.779 2.918 . 0 0 "[ . 1 . 2]" 1
570 1 57 ILE H 1 57 ILE HB 2.276 . 2.924 2.512 2.437 2.602 . 0 0 "[ . 1 . 2]" 1
571 1 57 ILE H 1 57 ILE MD 3.356 . 4.764 3.523 3.441 3.665 . 0 0 "[ . 1 . 2]" 1
572 1 57 ILE H 1 57 ILE HG12 3.871 . 5.744 3.507 3.407 3.758 . 0 0 "[ . 1 . 2]" 1
573 1 57 ILE H 1 57 ILE HG13 2.321 . 2.994 2.188 2.074 2.493 . 0 0 "[ . 1 . 2]" 1
574 1 57 ILE H 1 57 ILE MG 3.423 . 4.887 3.763 3.751 3.799 . 0 0 "[ . 1 . 2]" 1
575 1 57 ILE H 1 58 GLU H 2.274 . 2.921 2.449 2.200 2.733 . 0 0 "[ . 1 . 2]" 1
576 1 57 ILE HA 1 57 ILE HB 2.337 . 3.020 2.514 2.221 2.688 . 0 0 "[ . 1 . 2]" 1
577 1 57 ILE HA 1 57 ILE MD 3.370 . 4.790 3.853 3.824 3.892 . 0 0 "[ . 1 . 2]" 1
578 1 57 ILE HA 1 57 ILE HG12 2.768 . 3.725 2.592 2.529 2.673 . 0 0 "[ . 1 . 2]" 1
579 1 57 ILE HA 1 57 ILE HG13 2.712 . 3.631 2.682 2.540 3.022 . 0 0 "[ . 1 . 2]" 1
580 1 57 ILE HA 1 57 ILE MG 2.089 . 2.634 2.394 2.326 2.437 . 0 0 "[ . 1 . 2]" 1
581 1 57 ILE HA 1 58 GLU H 2.638 . 3.508 3.410 3.155 3.525 0.017 1 0 "[ . 1 . 2]" 1
582 1 57 ILE HB 1 57 ILE MD 1.835 . 2.256 2.361 2.340 2.379 0.123 5 0 "[ . 1 . 2]" 1
583 1 57 ILE HB 1 57 ILE HG13 2.198 . 2.802 2.207 2.196 2.219 . 0 0 "[ . 1 . 2]" 1
584 1 57 ILE HB 1 57 ILE MG 1.536 . 1.831 1.771 1.767 1.773 . 0 0 "[ . 1 . 2]" 1
585 1 57 ILE HB 1 58 GLU H 3.410 . 4.864 3.055 2.673 3.741 . 0 0 "[ . 1 . 2]" 1
586 1 57 ILE MD 1 57 ILE HG12 1.691 . 2.048 1.679 1.677 1.680 . 0 0 "[ . 1 . 2]" 1
587 1 57 ILE MD 1 57 ILE HG13 1.774 . 2.167 1.884 1.883 1.886 . 0 0 "[ . 1 . 2]" 1
588 1 57 ILE HG13 1 57 ILE MG 2.400 . 3.120 2.631 2.333 2.666 . 0 0 "[ . 1 . 2]" 1
589 1 57 ILE MG 1 58 GLU H 3.415 . 4.873 3.757 3.427 4.181 . 0 0 "[ . 1 . 2]" 1
590 1 58 GLU H 1 58 GLU QB 2.605 . 3.453 2.257 2.116 2.427 . 0 0 "[ . 1 . 2]" 1
591 1 58 GLU H 1 59 SER H 2.717 . 3.640 2.610 2.511 2.667 . 0 0 "[ . 1 . 2]" 1
592 1 58 GLU H 1 59 SER H 2.771 . 3.731 2.474 2.344 2.593 . 0 0 "[ . 1 . 2]" 1
593 1 58 GLU H 1 59 SER QB 4.382 . 6.782 5.073 4.461 5.401 . 0 0 "[ . 1 . 2]" 1
594 1 58 GLU H 1 60 LEU HB2 4.211 . 6.427 5.042 4.492 5.638 . 0 0 "[ . 1 . 2]" 1
595 1 58 GLU HA 1 59 SER H 2.829 . 3.830 3.440 3.313 3.552 . 0 0 "[ . 1 . 2]" 1
596 1 58 GLU QB 1 59 SER H 3.418 . 4.879 2.941 2.566 3.262 . 0 0 "[ . 1 . 2]" 1
597 1 59 SER H 1 59 SER QB 3.077 . 4.260 2.970 2.600 3.423 . 0 0 "[ . 1 . 2]" 1
598 1 59 SER HA 1 59 SER HB2 2.228 . 2.848 2.167 2.066 2.320 . 0 0 "[ . 1 . 2]" 1
599 1 59 SER HA 1 60 LEU H 2.647 . 3.523 3.051 2.511 3.538 0.015 1 0 "[ . 1 . 2]" 1
600 1 59 SER QB 1 60 LEU H 4.123 . 6.247 3.605 2.871 3.870 . 0 0 "[ . 1 . 2]" 1
601 1 60 LEU H 1 60 LEU HB2 2.304 . 2.968 2.609 2.226 3.121 0.153 12 0 "[ . 1 . 2]" 1
602 1 60 LEU H 1 60 LEU HB3 3.347 . 4.747 2.683 2.376 3.351 . 0 0 "[ . 1 . 2]" 1
603 1 60 LEU H 1 60 LEU MD2 3.451 . 4.940 2.954 2.746 3.052 . 0 0 "[ . 1 . 2]" 1
604 1 60 LEU H 1 60 LEU MD2 4.004 . 6.008 2.754 2.492 2.846 . 0 0 "[ . 1 . 2]" 1
605 1 60 LEU H 1 61 ILE H 2.562 . 3.383 2.424 1.903 3.669 0.286 1 0 "[ . 1 . 2]" 1
606 1 60 LEU H 1 61 ILE MG 3.515 . 5.059 4.163 3.778 4.301 . 0 0 "[ . 1 . 2]" 1
607 1 60 LEU HA 1 60 LEU HB2 2.056 . 2.584 2.431 2.244 2.697 0.113 16 0 "[ . 1 . 2]" 1
608 1 60 LEU HA 1 60 LEU MD1 2.649 . 3.526 2.688 2.111 3.836 0.310 19 0 "[ . 1 . 2]" 1
609 1 60 LEU HA 1 60 LEU MD1 1.971 . 2.456 1.921 1.747 2.082 . 0 0 "[ . 1 . 2]" 1
610 1 60 LEU HA 1 61 ILE H 2.855 . 3.874 3.463 3.114 3.575 . 0 0 "[ . 1 . 2]" 1
611 1 60 LEU HB2 1 61 ILE H 3.298 . 4.657 3.657 2.801 4.375 . 0 0 "[ . 1 . 2]" 1
612 1 60 LEU HB3 1 61 ILE H 3.092 . 4.287 2.968 2.264 3.769 . 0 0 "[ . 1 . 2]" 1
613 1 60 LEU MD1 1 61 ILE H 3.467 . 4.970 3.569 3.234 3.663 . 0 0 "[ . 1 . 2]" 1
614 1 60 LEU MD1 1 63 SER H 3.951 . 5.902 3.884 3.460 4.149 . 0 0 "[ . 1 . 2]" 1
615 1 60 LEU MD1 1 63 SER H 3.841 . 5.685 3.232 2.793 3.636 . 0 0 "[ . 1 . 2]" 1
616 1 61 ILE H 1 61 ILE HA 2.708 . 3.625 2.862 2.785 2.908 . 0 0 "[ . 1 . 2]" 1
617 1 61 ILE H 1 61 ILE HB 2.418 . 3.149 2.568 2.487 2.625 . 0 0 "[ . 1 . 2]" 1
618 1 61 ILE H 1 61 ILE MD 3.210 . 4.498 3.150 3.004 3.475 . 0 0 "[ . 1 . 2]" 1
619 1 61 ILE H 1 61 ILE HG12 2.364 . 3.063 2.187 2.072 2.528 . 0 0 "[ . 1 . 2]" 1
620 1 61 ILE H 1 61 ILE HG13 4.040 . 6.080 3.672 3.586 3.898 . 0 0 "[ . 1 . 2]" 1
621 1 61 ILE H 1 61 ILE MG 3.626 . 5.270 3.780 3.760 3.807 . 0 0 "[ . 1 . 2]" 1
622 1 61 ILE H 1 62 ASP H 2.459 . 3.215 2.457 2.303 2.679 . 0 0 "[ . 1 . 2]" 1
623 1 61 ILE HA 1 61 ILE MD 1.957 . 2.436 2.058 1.985 2.120 . 0 0 "[ . 1 . 2]" 1
624 1 61 ILE HA 1 61 ILE MG 1.877 . 2.317 2.351 2.295 2.419 0.102 17 0 "[ . 1 . 2]" 1
625 1 61 ILE HA 1 62 ASP H 2.631 . 3.496 3.416 3.182 3.517 0.021 17 0 "[ . 1 . 2]" 1
626 1 61 ILE HA 1 64 ILE HG13 2.750 . 3.695 3.168 2.787 4.685 0.990 10 2 "[ . + - . 2]" 1
627 1 61 ILE HB 1 61 ILE HG13 2.273 . 2.919 2.374 2.361 2.381 . 0 0 "[ . 1 . 2]" 1
628 1 61 ILE MD 1 61 ILE HG12 1.553 . 1.854 1.884 1.883 1.886 0.032 12 0 "[ . 1 . 2]" 1
629 1 61 ILE MG 1 64 ILE HB 1.572 . 1.881 2.044 1.846 2.104 0.223 6 0 "[ . 1 . 2]" 1
630 1 61 ILE MG 1 65 LEU HA 3.200 . 4.480 3.321 2.981 3.567 . 0 0 "[ . 1 . 2]" 1
631 1 62 ASP H 1 62 ASP HA 2.770 . 3.729 2.822 2.806 2.834 . 0 0 "[ . 1 . 2]" 1
632 1 62 ASP H 1 62 ASP HB2 2.413 . 3.141 2.555 2.297 2.734 . 0 0 "[ . 1 . 2]" 1
633 1 62 ASP H 1 62 ASP HB3 3.202 . 4.483 2.961 2.387 3.607 . 0 0 "[ . 1 . 2]" 1
634 1 62 ASP HA 1 62 ASP HB3 2.920 . 3.985 2.804 2.460 3.035 . 0 0 "[ . 1 . 2]" 1
635 1 62 ASP HA 1 63 SER H 2.801 . 3.781 3.494 3.434 3.532 . 0 0 "[ . 1 . 2]" 1
636 1 62 ASP HB2 1 63 SER H 2.816 . 3.807 3.488 2.669 4.074 0.267 10 0 "[ . 1 . 2]" 1
637 1 63 SER H 1 63 SER HA 2.770 . 3.729 2.859 2.813 2.893 . 0 0 "[ . 1 . 2]" 1
638 1 63 SER H 1 63 SER QB 3.014 . 4.150 2.602 2.309 2.851 . 0 0 "[ . 1 . 2]" 1
639 1 63 SER H 1 63 SER QB 2.853 . 3.871 2.473 2.201 2.741 . 0 0 "[ . 1 . 2]" 1
640 1 63 SER H 1 65 LEU HB2 3.557 . 5.138 5.477 4.998 6.106 0.968 18 6 "[ * * * 1 .- + *]" 1
641 1 63 SER H 1 65 LEU HB3 3.923 . 5.847 3.333 2.794 4.273 . 0 0 "[ . 1 . 2]" 1
642 1 63 SER HA 1 64 ILE H 2.708 . 3.625 3.450 3.356 3.523 . 0 0 "[ . 1 . 2]" 1
643 1 63 SER QB 1 64 ILE H 3.522 . 5.073 3.159 2.606 3.706 . 0 0 "[ . 1 . 2]" 1
644 1 64 ILE H 1 64 ILE HA 2.669 . 3.559 2.877 2.829 2.914 . 0 0 "[ . 1 . 2]" 1
645 1 64 ILE H 1 64 ILE HB 2.040 . 2.560 2.471 2.327 2.543 . 0 0 "[ . 1 . 2]" 1
646 1 64 ILE H 1 64 ILE MD 2.962 . 4.058 3.452 2.292 3.667 . 0 0 "[ . 1 . 2]" 1
647 1 64 ILE H 1 64 ILE HG12 3.530 . 5.087 3.562 3.361 4.143 . 0 0 "[ . 1 . 2]" 1
648 1 64 ILE H 1 64 ILE MG 3.095 . 4.292 3.750 3.686 3.776 . 0 0 "[ . 1 . 2]" 1
649 1 64 ILE H 1 65 LEU H 2.066 . 2.600 2.301 2.118 2.469 . 0 0 "[ . 1 . 2]" 1
650 1 64 ILE HA 1 64 ILE MD 3.357 . 4.765 3.746 2.811 3.867 . 0 0 "[ . 1 . 2]" 1
651 1 64 ILE HA 1 64 ILE MG 2.235 . 2.860 2.414 2.368 2.561 . 0 0 "[ . 1 . 2]" 1
652 1 64 ILE HA 1 65 LEU H 3.060 . 4.230 3.462 3.393 3.516 . 0 0 "[ . 1 . 2]" 1
653 1 64 ILE HA 1 65 LEU H 2.398 . 3.117 2.443 2.171 3.050 . 0 0 "[ . 1 . 2]" 1
654 1 64 ILE HB 1 64 ILE MD 1.954 . 2.431 2.383 2.348 2.402 . 0 0 "[ . 1 . 2]" 1
655 1 64 ILE HB 1 65 LEU H 3.072 . 4.252 2.825 2.643 3.180 . 0 0 "[ . 1 . 2]" 1
656 1 65 LEU H 1 65 LEU HB2 2.672 . 3.565 2.465 2.202 2.661 . 0 0 "[ . 1 . 2]" 1
657 1 65 LEU H 1 65 LEU HB3 2.475 . 3.241 2.649 2.442 3.617 0.376 11 0 "[ . 1 . 2]" 1
658 1 65 LEU H 1 65 LEU QD 3.990 . 5.980 3.369 3.089 3.550 . 0 0 "[ . 1 . 2]" 1
659 1 65 LEU H 1 65 LEU QD 3.508 . 5.046 3.239 2.624 3.497 . 0 0 "[ . 1 . 2]" 1
660 1 65 LEU H 1 65 LEU QD 3.505 . 5.040 3.312 2.695 3.703 . 0 0 "[ . 1 . 2]" 1
661 1 65 LEU H 1 65 LEU HG 3.513 . 5.056 3.916 2.503 4.422 . 0 0 "[ . 1 . 2]" 1
662 1 65 LEU HA 1 65 LEU HB3 2.095 . 2.644 2.964 2.496 3.029 0.385 9 0 "[ . 1 . 2]" 1
663 1 65 LEU HA 1 65 LEU QD 2.008 . 2.512 2.026 1.857 2.121 . 0 0 "[ . 1 . 2]" 1
664 1 65 LEU HA 1 66 SER H 2.894 . 3.941 3.318 2.669 3.506 . 0 0 "[ . 1 . 2]" 1
665 1 65 LEU HA 1 66 SER H 3.933 . 5.866 3.010 2.405 3.193 . 0 0 "[ . 1 . 2]" 1
666 1 65 LEU HB2 1 66 SER H 3.760 . 5.528 4.080 3.000 4.634 . 0 0 "[ . 1 . 2]" 1
667 1 66 SER H 1 66 SER HB2 3.331 . 4.718 3.292 2.635 3.672 . 0 0 "[ . 1 . 2]" 1
668 1 66 SER H 1 66 SER HB3 3.180 . 4.444 3.220 2.643 4.000 . 0 0 "[ . 1 . 2]" 1
669 1 66 SER HA 1 67 SER H 3.013 . 4.148 2.989 2.669 3.325 . 0 0 "[ . 1 . 2]" 1
670 1 66 SER HB2 1 67 SER H 3.958 . 5.916 3.209 2.911 3.502 . 0 0 "[ . 1 . 2]" 1
671 1 66 SER HB3 1 67 SER H 3.625 . 5.267 3.021 2.452 3.330 . 0 0 "[ . 1 . 2]" 1
672 1 67 SER H 1 67 SER HA 2.657 . 3.540 2.328 1.922 2.548 . 0 0 "[ . 1 . 2]" 1
673 1 67 SER H 1 67 SER HB2 4.087 . 6.175 3.331 2.979 3.651 . 0 0 "[ . 1 . 2]" 1
674 1 68 SER HA 1 69 ALA H 2.513 . 3.302 2.580 2.170 3.263 . 0 0 "[ . 1 . 2]" 1
675 1 68 SER HA 1 74 PRO QG 3.528 . 5.084 4.643 2.765 5.985 0.901 9 3 "[ . - +1 *. 2]" 1
676 1 68 SER HB2 1 69 ALA H 3.842 . 5.687 3.898 3.557 4.225 . 0 0 "[ . 1 . 2]" 1
677 1 69 ALA H 1 69 ALA HA 2.747 . 3.690 2.842 2.265 2.945 . 0 0 "[ . 1 . 2]" 1
678 1 69 ALA H 1 69 ALA MB 2.312 . 2.980 2.405 2.243 2.876 . 0 0 "[ . 1 . 2]" 1
679 1 69 ALA HA 1 69 ALA MB 1.947 . 2.421 2.127 2.122 2.131 . 0 0 "[ . 1 . 2]" 1
680 1 69 ALA HA 1 70 GLY H 2.543 . 3.351 2.567 2.156 3.368 0.017 3 0 "[ . 1 . 2]" 1
681 1 69 ALA MB 1 70 GLY H 3.651 . 5.318 3.491 3.056 3.708 . 0 0 "[ . 1 . 2]" 1
682 1 70 GLY H 1 70 GLY QA 2.409 . 3.135 2.347 2.190 2.494 . 0 0 "[ . 1 . 2]" 1
683 1 70 GLY H 1 71 ALA H 3.419 . 4.880 3.597 2.647 4.425 . 0 0 "[ . 1 . 2]" 1
684 1 70 GLY QA 1 71 ALA H 2.648 . 3.525 2.334 2.127 2.810 . 0 0 "[ . 1 . 2]" 1
685 1 71 ALA H 1 71 ALA MB 2.555 . 3.371 2.374 2.267 2.848 . 0 0 "[ . 1 . 2]" 1
686 1 71 ALA H 1 72 ASN H 3.323 . 4.703 3.071 2.533 4.003 . 0 0 "[ . 1 . 2]" 1
687 1 71 ALA HA 1 72 ASN H 2.851 . 3.867 2.805 2.288 3.324 . 0 0 "[ . 1 . 2]" 1
688 1 71 ALA MB 1 72 ASN H 4.085 . 6.171 3.597 3.205 3.722 . 0 0 "[ . 1 . 2]" 1
689 1 72 ASN H 1 72 ASN HB3 3.396 . 4.838 3.606 2.659 4.169 . 0 0 "[ . 1 . 2]" 1
690 1 72 ASN H 1 73 SER H 2.758 . 3.709 2.671 2.060 3.426 . 0 0 "[ . 1 . 2]" 1
691 1 72 ASN HA 1 73 SER H 2.576 . 3.406 2.502 2.093 2.807 . 0 0 "[ . 1 . 2]" 1
692 1 73 SER H 1 73 SER QB 3.857 . 5.716 3.190 2.670 3.402 . 0 0 "[ . 1 . 2]" 1
693 1 73 SER H 1 73 SER QB 3.266 . 4.600 2.982 1.815 3.297 0.117 5 0 "[ . 1 . 2]" 1
694 1 73 SER HA 1 74 PRO HD3 2.778 . 3.743 2.644 2.012 4.223 0.480 5 0 "[ . 1 . 2]" 1
695 1 74 PRO HA 1 74 PRO HB2 2.238 . 2.864 2.470 2.405 2.647 . 0 0 "[ . 1 . 2]" 1
696 1 74 PRO HA 1 75 ARG H 2.324 . 2.999 2.381 2.159 3.128 0.129 20 0 "[ . 1 . 2]" 1
697 1 74 PRO QG 1 75 ARG HG2 3.311 . 4.682 3.827 2.438 5.196 0.514 9 1 "[ . +1 . 2]" 1
698 1 75 ARG H 1 75 ARG HB2 2.889 . 3.932 2.529 2.270 2.737 . 0 0 "[ . 1 . 2]" 1
699 1 75 ARG H 1 75 ARG HB3 2.651 . 3.530 2.952 2.476 3.804 0.274 12 0 "[ . 1 . 2]" 1
700 1 75 ARG H 1 75 ARG QG 3.920 . 5.840 3.791 2.919 4.100 . 0 0 "[ . 1 . 2]" 1
701 1 75 ARG HA 1 76 ARG H 2.273 . 2.919 2.352 2.081 2.788 . 0 0 "[ . 1 . 2]" 1
702 1 75 ARG HB2 1 77 GLY H 4.530 . 7.095 4.226 3.205 4.455 . 0 0 "[ . 1 . 2]" 1
703 1 75 ARG HG2 1 76 ARG H 4.068 . 6.137 3.338 2.607 4.088 . 0 0 "[ . 1 . 2]" 1
704 1 76 ARG H 1 76 ARG HB3 2.856 . 3.876 3.323 2.487 4.091 0.215 10 0 "[ . 1 . 2]" 1
705 1 76 ARG HA 1 77 GLY H 2.472 . 3.236 2.495 2.174 2.965 . 0 0 "[ . 1 . 2]" 1
706 1 76 ARG QG 1 77 GLY H 4.778 . 7.631 4.465 3.545 4.876 . 0 0 "[ . 1 . 2]" 1
707 1 77 GLY H 1 77 GLY QA 2.650 . 3.528 2.370 2.219 2.501 . 0 0 "[ . 1 . 2]" 1
708 1 77 GLY H 1 78 SER H 3.687 . 5.386 3.552 2.598 4.361 . 0 0 "[ . 1 . 2]" 1
709 1 77 GLY QA 1 78 SER H 2.643 . 3.516 2.364 2.127 2.741 . 0 0 "[ . 1 . 2]" 1
710 1 78 SER H 1 78 SER QB 3.164 . 4.416 2.573 2.282 2.898 . 0 0 "[ . 1 . 2]" 1
711 1 78 SER H 1 79 ARG H 3.174 . 4.433 3.158 2.697 3.802 . 0 0 "[ . 1 . 2]" 1
712 1 78 SER HA 1 79 ARG H 2.485 . 3.257 2.567 2.178 2.821 . 0 0 "[ . 1 . 2]" 1
713 1 79 ARG H 1 79 ARG HB3 3.397 . 4.839 3.400 2.817 3.918 . 0 0 "[ . 1 . 2]" 1
714 1 79 ARG H 1 79 ARG QG 3.836 . 5.675 3.677 2.795 4.316 . 0 0 "[ . 1 . 2]" 1
715 1 79 ARG H 1 81 ASN H 4.231 . 6.468 5.116 4.267 5.876 . 0 0 "[ . 1 . 2]" 1
716 1 79 ARG HA 1 80 PRO HD2 2.003 . 2.505 2.357 1.935 3.051 0.546 20 1 "[ . 1 . +]" 1
717 1 79 ARG HA 1 80 PRO HD3 2.802 . 3.783 2.263 1.840 2.723 . 0 0 "[ . 1 . 2]" 1
718 1 80 PRO HA 1 81 ASN H 1.952 . 2.428 2.272 2.140 2.664 0.236 12 0 "[ . 1 . 2]" 1
719 1 80 PRO HB3 1 81 ASN H 4.055 . 6.110 4.274 3.946 4.637 . 0 0 "[ . 1 . 2]" 1
720 1 81 ASN H 1 81 ASN HB3 3.862 . 5.727 3.383 2.530 4.098 . 0 0 "[ . 1 . 2]" 1
721 1 81 ASN H 1 82 SER H 3.961 . 5.922 3.842 2.742 4.593 . 0 0 "[ . 1 . 2]" 1
722 1 81 ASN HA 1 82 SER H 2.520 . 3.314 2.367 2.140 2.884 . 0 0 "[ . 1 . 2]" 1
723 1 81 ASN HB2 1 82 SER H 4.615 . 7.277 4.370 2.923 4.629 . 0 0 "[ . 1 . 2]" 1
724 1 82 SER HA 1 83 VAL H 2.231 . 2.853 2.496 2.151 2.843 . 0 0 "[ . 1 . 2]" 1
725 1 82 SER QB 1 83 VAL H 4.486 . 7.001 3.890 3.500 4.040 . 0 0 "[ . 1 . 2]" 1
726 1 83 VAL H 1 83 VAL HA 2.916 . 3.979 2.912 2.851 2.950 . 0 0 "[ . 1 . 2]" 1
727 1 83 VAL H 1 83 VAL HB 2.574 . 3.402 2.658 2.539 3.266 . 0 0 "[ . 1 . 2]" 1
728 1 83 VAL H 1 83 VAL MG2 2.787 . 3.758 2.496 1.934 4.036 0.278 1 0 "[ . 1 . 2]" 1
729 1 83 VAL HA 1 83 VAL HB 2.810 . 3.797 2.973 2.526 3.029 . 0 0 "[ . 1 . 2]" 1
730 1 83 VAL HA 1 83 VAL MG1 2.319 . 2.991 2.441 2.297 3.207 0.216 1 0 "[ . 1 . 2]" 1
731 1 83 VAL HA 1 83 VAL MG2 2.346 . 3.034 2.428 2.275 2.523 . 0 0 "[ . 1 . 2]" 1
732 1 83 VAL HA 1 84 ILE H 2.298 . 2.958 2.531 2.192 3.387 0.429 6 0 "[ . 1 . 2]" 1
733 1 83 VAL HB 1 83 VAL MG1 1.719 . 2.088 2.122 2.112 2.126 0.038 7 0 "[ . 1 . 2]" 1
734 1 83 VAL HB 1 83 VAL MG2 1.764 . 2.153 2.124 2.119 2.127 . 0 0 "[ . 1 . 2]" 1
735 1 83 VAL HB 1 84 ILE H 3.690 . 5.392 4.284 3.166 4.458 . 0 0 "[ . 1 . 2]" 1
736 1 83 VAL QG 1 84 ILE H 3.345 . 4.743 3.206 2.654 3.353 . 0 0 "[ . 1 . 2]" 1
737 1 83 VAL MG1 1 85 SER H 3.440 . 4.919 3.198 2.794 3.922 . 0 0 "[ . 1 . 2]" 1
738 1 84 ILE H 1 84 ILE HB 2.414 . 3.142 2.737 2.510 3.643 0.501 3 1 "[ + . 1 . 2]" 1
739 1 84 ILE H 1 84 ILE MD 3.719 . 5.448 3.905 3.652 4.204 . 0 0 "[ . 1 . 2]" 1
740 1 84 ILE H 1 84 ILE HG12 2.921 . 3.988 3.782 3.251 4.118 0.130 13 0 "[ . 1 . 2]" 1
741 1 84 ILE H 1 84 ILE HG13 4.071 . 6.143 2.636 2.394 3.013 . 0 0 "[ . 1 . 2]" 1
742 1 84 ILE H 1 84 ILE MG 3.204 . 4.487 3.857 3.784 3.948 . 0 0 "[ . 1 . 2]" 1
743 1 84 ILE H 1 85 SER H 3.551 . 5.128 3.699 2.786 4.317 . 0 0 "[ . 1 . 2]" 1
744 1 84 ILE HA 1 84 ILE HB 2.850 . 3.865 3.024 3.020 3.027 . 0 0 "[ . 1 . 2]" 1
745 1 84 ILE HA 1 84 ILE MD 3.496 . 5.024 3.868 3.817 3.901 . 0 0 "[ . 1 . 2]" 1
746 1 84 ILE HA 1 84 ILE MG 2.275 . 2.922 2.363 2.322 2.418 . 0 0 "[ . 1 . 2]" 1
747 1 84 ILE HA 1 85 SER H 2.236 . 2.861 2.324 2.144 2.701 . 0 0 "[ . 1 . 2]" 1
748 1 84 ILE HB 1 84 ILE MD 1.956 . 2.434 2.385 2.355 2.424 . 0 0 "[ . 1 . 2]" 1
749 1 84 ILE HB 1 85 SER H 3.973 . 5.946 4.395 4.252 4.458 . 0 0 "[ . 1 . 2]" 1
750 1 85 SER H 1 85 SER QB 3.329 . 4.714 2.780 2.267 3.394 . 0 0 "[ . 1 . 2]" 1
751 1 85 SER H 1 86 THR H 3.244 . 4.559 2.581 2.353 3.421 . 0 0 "[ . 1 . 2]" 1
752 1 85 SER HA 1 86 THR H 4.110 . 6.221 3.280 2.667 3.578 . 0 0 "[ . 1 . 2]" 1
753 1 85 SER HA 1 86 THR H 2.429 . 3.166 2.576 2.293 2.930 . 0 0 "[ . 1 . 2]" 1
754 1 85 SER QB 1 86 THR H 4.353 . 6.721 3.237 2.702 3.531 . 0 0 "[ . 1 . 2]" 1
755 1 86 THR H 1 86 THR HA 2.963 . 4.061 2.614 2.447 2.834 . 0 0 "[ . 1 . 2]" 1
756 1 86 THR H 1 86 THR MG 3.525 . 5.079 3.170 2.560 3.999 . 0 0 "[ . 1 . 2]" 1
757 1 86 THR H 1 87 GLY H 2.833 . 3.836 3.174 2.420 4.312 0.476 16 0 "[ . 1 . 2]" 1
758 1 86 THR HA 1 87 GLY H 2.634 . 3.502 2.690 2.184 3.529 0.027 14 0 "[ . 1 . 2]" 1
759 1 86 THR HB 1 86 THR MG 2.053 . 2.580 2.134 2.129 2.137 . 0 0 "[ . 1 . 2]" 1
760 1 87 GLY H 1 87 GLY HA2 2.654 . 3.535 2.733 2.323 2.952 . 0 0 "[ . 1 . 2]" 1
761 1 87 GLY H 1 87 GLY HA3 2.852 . 3.869 2.721 2.320 2.952 . 0 0 "[ . 1 . 2]" 1
762 1 87 GLY HA2 1 88 GLU H 2.703 . 3.616 3.119 2.291 3.563 . 0 0 "[ . 1 . 2]" 1
763 1 87 GLY HA3 1 88 GLU H 3.458 . 4.953 3.059 2.261 3.559 . 0 0 "[ . 1 . 2]" 1
764 1 88 GLU H 1 88 GLU HA 2.848 . 3.862 2.749 2.260 2.945 . 0 0 "[ . 1 . 2]" 1
765 1 88 GLU H 1 88 GLU HB2 3.838 . 5.679 3.060 2.494 3.543 . 0 0 "[ . 1 . 2]" 1
766 1 88 GLU H 1 88 GLU HB3 2.653 . 3.533 3.374 2.523 4.112 0.579 11 3 "[ . 1+ - * 2]" 1
767 1 88 GLU H 1 88 GLU QG 3.805 . 5.614 3.660 2.512 4.355 . 0 0 "[ . 1 . 2]" 1
768 1 88 GLU H 1 89 LEU H 2.761 . 3.714 3.148 2.615 3.817 0.103 3 0 "[ . 1 . 2]" 1
769 1 88 GLU HA 1 89 LEU H 2.330 . 3.009 2.494 2.163 2.929 . 0 0 "[ . 1 . 2]" 1
770 1 88 GLU HB2 1 89 LEU H 4.222 . 6.451 4.466 4.121 4.651 . 0 0 "[ . 1 . 2]" 1
771 1 89 LEU H 1 89 LEU HA 2.952 . 4.041 2.885 2.274 2.949 . 0 0 "[ . 1 . 2]" 1
772 1 89 LEU H 1 89 LEU HB2 2.377 . 3.083 2.709 2.295 3.572 0.489 6 0 "[ . 1 . 2]" 1
773 1 89 LEU H 1 89 LEU HB3 3.862 . 5.727 3.379 2.535 4.073 . 0 0 "[ . 1 . 2]" 1
774 1 89 LEU HA 1 89 LEU MD1 2.371 . 3.074 2.515 1.958 3.875 0.801 5 3 "[ *+- 1 . 2]" 1
775 1 91 THR H 1 92 ASP H 3.284 . 4.632 3.145 2.248 3.952 . 0 0 "[ . 1 . 2]" 1
776 1 91 THR HB 1 91 THR MG 2.325 . 3.001 2.140 2.138 2.145 . 0 0 "[ . 1 . 2]" 1
777 1 92 ASP H 1 92 ASP HA 2.697 . 3.606 2.691 2.268 2.944 . 0 0 "[ . 1 . 2]" 1
778 1 92 ASP H 1 92 ASP HB3 3.395 . 4.836 3.461 2.718 4.125 . 0 0 "[ . 1 . 2]" 1
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