NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
650343 |
6khv   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6khv
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 1234
_Distance_constraint_stats_list.Viol_count 1348
_Distance_constraint_stats_list.Viol_total 1776.721
_Distance_constraint_stats_list.Viol_max 1.758
_Distance_constraint_stats_list.Viol_rms 0.0693
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0144
_Distance_constraint_stats_list.Viol_average_violations_only 0.1318
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 VAL 8.473 1.128 6 6 "[ * *.+**-1]"
1 2 ASP 2.426 0.509 9 1 "[ . +1]"
1 3 GLU 1.217 0.241 4 0 "[ . 1]"
1 4 PRO 3.810 0.352 8 0 "[ . 1]"
1 5 GLU 3.429 0.404 4 0 "[ . 1]"
1 6 SER 6.652 0.871 1 2 "[+ . -1]"
1 7 MET 5.566 0.747 6 2 "[ .+ - 1]"
1 8 VAL 3.342 0.170 1 0 "[ . 1]"
1 9 ASN 1.795 0.189 7 0 "[ . 1]"
1 10 LEU 0.284 0.093 3 0 "[ . 1]"
1 11 ALA 0.000 0.000 . 0 "[ . 1]"
1 12 PHE 2.429 1.758 8 1 "[ . + 1]"
1 14 LYS 5.378 1.758 8 1 "[ . + 1]"
1 15 ASN 3.130 0.708 7 1 "[ . + 1]"
1 16 ASP 0.431 0.170 1 0 "[ . 1]"
1 17 SER 6.242 1.638 4 3 "[* -+. 1]"
1 18 TYR 7.035 1.638 4 3 "[* -+. 1]"
1 19 GLU 2.836 0.617 1 1 "[+ . 1]"
1 20 LYS 3.193 1.231 10 1 "[ . +]"
1 21 GLY 0.398 0.061 10 0 "[ . 1]"
1 23 ASP 5.644 0.617 1 1 "[+ . 1]"
1 24 SER 3.446 0.322 3 0 "[ . 1]"
1 25 VAL 10.749 1.231 10 2 "[ . - +]"
1 26 VAL 3.347 0.988 10 2 "[ . - +]"
1 27 VAL 2.579 0.959 3 1 "[ + . 1]"
1 28 HIS 0.684 0.170 1 0 "[ . 1]"
1 29 VAL 1.928 0.708 7 1 "[ . + 1]"
1 30 TYR 14.066 0.869 8 4 "[ -. *+ *]"
1 31 VAL 3.098 0.197 7 0 "[ . 1]"
1 32 LYS 11.134 0.869 8 4 "[ * -. *+ 1]"
1 33 GLU 0.546 0.091 7 0 "[ . 1]"
1 34 ILE 1.045 0.162 3 0 "[ . 1]"
1 35 CYS 0.225 0.214 7 0 "[ . 1]"
1 36 ARG 3.734 0.484 4 0 "[ . 1]"
1 37 ASP 3.229 0.478 8 0 "[ . 1]"
1 38 THR 5.583 0.484 4 0 "[ . 1]"
1 39 SER 3.604 0.395 5 0 "[ . 1]"
1 40 ARG 0.454 0.107 6 0 "[ . 1]"
1 41 VAL 0.099 0.054 8 0 "[ . 1]"
1 42 LEU 0.000 0.000 . 0 "[ . 1]"
1 43 PHE 0.043 0.043 6 0 "[ . 1]"
1 44 ARG 0.000 0.000 . 0 "[ . 1]"
1 45 GLU 0.795 0.124 7 0 "[ . 1]"
1 46 GLN 1.555 0.235 5 0 "[ . 1]"
1 47 ASP 0.314 0.083 9 0 "[ . 1]"
1 48 PHE 1.532 0.116 8 0 "[ . 1]"
1 49 THR 1.546 0.143 9 0 "[ . 1]"
1 50 LEU 2.832 0.230 10 0 "[ . 1]"
1 51 ILE 1.879 0.230 10 0 "[ . 1]"
1 52 PHE 3.422 0.395 5 0 "[ . 1]"
1 53 GLN 1.933 0.214 7 0 "[ . 1]"
1 54 THR 1.048 0.108 7 0 "[ . 1]"
1 55 ARG 4.589 0.422 9 0 "[ . 1]"
1 56 ASP 3.604 0.299 8 0 "[ . 1]"
1 57 GLY 0.724 0.092 4 0 "[ . 1]"
1 58 ASN 7.395 0.606 10 4 "[ - * * +]"
1 59 PHE 5.539 0.996 1 2 "[+ .- 1]"
1 60 LEU 2.638 0.437 10 0 "[ . 1]"
1 61 ARG 7.134 0.996 1 2 "[+ .* 1]"
1 62 LEU 2.093 0.187 1 0 "[ . 1]"
1 63 HIS 0.307 0.090 8 0 "[ . 1]"
1 65 GLY 0.000 0.000 . 0 "[ . 1]"
1 66 CYS 0.399 0.243 8 0 "[ . 1]"
1 67 GLY 0.310 0.255 1 0 "[ . 1]"
1 69 HIS 8.348 0.744 4 4 "[ *+* - 1]"
1 70 THR 1.435 0.243 8 0 "[ . 1]"
1 71 THR 3.863 0.551 1 1 "[+ . 1]"
1 72 PHE 5.527 0.637 5 2 "[- + 1]"
1 73 ARG 4.783 0.947 5 1 "[ + 1]"
1 74 TRP 3.337 0.219 8 0 "[ . 1]"
1 75 GLN 2.979 0.585 8 1 "[ . + 1]"
1 76 VAL 1.114 0.585 8 1 "[ . + 1]"
1 77 LYS 0.792 0.169 2 0 "[ . 1]"
1 78 LEU 0.320 0.169 2 0 "[ . 1]"
1 79 ARG 0.000 0.000 . 0 "[ . 1]"
1 81 LEU 2.190 0.404 2 0 "[ . 1]"
1 82 ILE 1.261 0.226 4 0 "[ . 1]"
1 83 GLU 3.253 0.573 5 1 "[ + 1]"
1 85 GLU 6.333 0.805 4 2 "[ +- 1]"
1 86 GLN 2.085 0.772 4 1 "[ +. 1]"
1 87 CYS 1.134 0.338 7 0 "[ . 1]"
1 88 THR 4.559 0.460 1 0 "[ . 1]"
1 89 PHE 1.906 0.172 9 0 "[ . 1]"
1 90 CYS 4.310 0.211 7 0 "[ . 1]"
1 91 PHE 2.551 0.152 1 0 "[ . 1]"
1 92 THR 0.277 0.078 8 0 "[ . 1]"
1 93 ALA 1.096 0.139 4 0 "[ . 1]"
1 94 SER 0.000 0.000 . 0 "[ . 1]"
1 95 ARG 2.560 0.468 5 0 "[ . 1]"
1 96 ILE 3.974 0.197 7 0 "[ . 1]"
1 97 ASP 4.075 0.258 7 0 "[ . 1]"
1 98 ILE 3.300 0.211 7 0 "[ . 1]"
1 99 CYS 2.901 0.513 8 1 "[ . + 1]"
1 100 LEU 0.090 0.090 8 0 "[ . 1]"
1 101 ARG 7.621 0.916 7 1 "[ . + 1]"
1 102 LYS 1.634 0.328 4 0 "[ . 1]"
1 103 ARG 0.155 0.113 4 0 "[ . 1]"
1 106 GLN 0.900 0.200 5 0 "[ . 1]"
1 107 ARG 0.481 0.072 6 0 "[ . 1]"
1 111 LEU 0.000 0.000 . 0 "[ . 1]"
1 113 ALA 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 VAL H1 1 1 VAL HA 2.334 . 3.015 2.554 2.347 2.960 . 0 0 "[ . 1]" 1
2 1 1 VAL H1 1 1 VAL HB 2.053 . 2.580 3.052 2.436 3.708 1.128 6 6 "[ * *.+*-*1]" 1
3 1 1 VAL H1 1 1 VAL MG1 2.646 . 3.521 3.322 2.030 4.122 0.601 6 1 "[ .+ 1]" 1
4 1 1 VAL HA 1 1 VAL HB 2.593 . 3.434 2.726 2.380 3.037 . 0 0 "[ . 1]" 1
5 1 1 VAL HA 1 1 VAL MG1 2.776 . 3.739 2.783 2.286 3.228 . 0 0 "[ . 1]" 1
6 1 1 VAL HA 1 2 ASP H 2.298 . 2.958 2.581 2.099 3.467 0.509 9 1 "[ . +1]" 1
7 1 1 VAL HA 1 69 HIS H 3.761 . 5.529 5.257 4.713 5.706 0.177 9 0 "[ . 1]" 1
8 1 1 VAL HB 1 1 VAL MG1 2.478 . 3.246 2.125 2.120 2.133 . 0 0 "[ . 1]" 1
9 1 1 VAL HB 1 2 ASP H 3.213 . 4.503 3.730 1.798 4.516 0.125 9 0 "[ . 1]" 1
10 1 1 VAL MG1 1 2 ASP H 3.041 . 4.197 3.260 1.965 4.269 0.072 5 0 "[ . 1]" 1
11 1 2 ASP H 1 2 ASP HA 2.792 . 3.766 2.694 2.252 2.938 . 0 0 "[ . 1]" 1
12 1 2 ASP H 1 2 ASP HB2 2.805 . 3.788 3.336 2.521 3.885 0.097 10 0 "[ . 1]" 1
13 1 2 ASP H 1 2 ASP HB3 2.649 . 3.526 3.204 2.748 4.021 0.495 3 0 "[ . 1]" 1
14 1 2 ASP HA 1 2 ASP HB2 2.313 . 2.982 2.610 2.435 3.028 0.046 9 0 "[ . 1]" 1
15 1 3 GLU H 1 3 GLU HA 2.501 . 3.283 2.897 2.811 2.948 . 0 0 "[ . 1]" 1
16 1 3 GLU H 1 3 GLU HB2 2.807 . 3.792 3.066 2.440 3.647 . 0 0 "[ . 1]" 1
17 1 3 GLU H 1 3 GLU HG2 3.041 . 4.197 2.868 1.644 4.320 0.241 4 0 "[ . 1]" 1
18 1 3 GLU H 1 4 PRO HD3 3.454 . 4.946 4.417 3.749 4.905 . 0 0 "[ . 1]" 1
19 1 3 GLU H 1 4 PRO HG3 5.101 . 8.354 6.567 5.705 6.999 . 0 0 "[ . 1]" 1
20 1 3 GLU HA 1 4 PRO HD3 1.960 . 2.440 2.384 2.270 2.540 0.100 1 0 "[ . 1]" 1
21 1 3 GLU HA 1 4 PRO HG2 3.076 . 4.259 4.271 4.142 4.481 0.222 8 0 "[ . 1]" 1
22 1 4 PRO HA 1 4 PRO HD3 2.660 . 3.545 3.654 3.382 3.897 0.352 8 0 "[ . 1]" 1
23 1 4 PRO HA 1 4 PRO HG2 3.752 . 5.511 3.833 3.740 3.876 . 0 0 "[ . 1]" 1
24 1 4 PRO HA 1 5 GLU H 3.540 . 5.107 3.494 3.275 3.584 . 0 0 "[ . 1]" 1
25 1 4 PRO HB3 1 4 PRO HD3 2.317 . 2.988 2.990 2.824 3.221 0.233 8 0 "[ . 1]" 1
26 1 4 PRO HB3 1 5 GLU H 4.169 . 6.341 3.770 3.376 4.367 . 0 0 "[ . 1]" 1
27 1 4 PRO HD3 1 5 GLU H 2.835 . 3.840 3.913 3.802 4.024 0.184 9 0 "[ . 1]" 1
28 1 4 PRO HG2 1 5 GLU H 2.198 . 2.802 1.925 1.526 2.956 0.154 7 0 "[ . 1]" 1
29 1 4 PRO HG2 1 5 GLU HA 4.550 . 7.138 4.136 3.514 4.565 . 0 0 "[ . 1]" 1
30 1 4 PRO HG2 1 6 SER H 2.584 . 3.419 3.122 2.164 3.590 0.171 6 0 "[ . 1]" 1
31 1 5 GLU H 1 5 GLU HA 2.095 . 2.644 2.519 2.258 2.917 0.273 8 0 "[ . 1]" 1
32 1 5 GLU H 1 5 GLU HB2 2.523 . 3.319 3.241 2.821 3.723 0.404 4 0 "[ . 1]" 1
33 1 5 GLU H 1 6 SER H 2.695 . 3.603 2.535 2.090 2.859 . 0 0 "[ . 1]" 1
34 1 5 GLU HA 1 5 GLU HB2 2.410 . 3.136 2.714 2.405 3.019 . 0 0 "[ . 1]" 1
35 1 5 GLU HA 1 6 SER H 2.171 . 2.760 2.783 2.449 2.939 0.179 4 0 "[ . 1]" 1
36 1 6 SER H 1 6 SER HA 2.453 . 3.205 2.832 2.232 2.936 . 0 0 "[ . 1]" 1
37 1 6 SER H 1 6 SER HB2 2.364 . 3.062 3.243 2.594 3.933 0.871 1 2 "[+ . -1]" 1
38 1 6 SER H 1 7 MET HB2 3.891 . 5.783 5.441 4.441 6.231 0.448 8 0 "[ . 1]" 1
39 1 6 SER HA 1 6 SER HB2 1.951 . 2.427 2.518 2.426 2.636 0.209 5 0 "[ . 1]" 1
40 1 6 SER HA 1 7 MET H 2.143 . 2.717 2.307 2.144 2.699 . 0 0 "[ . 1]" 1
41 1 6 SER HA 1 7 MET HA 4.528 . 7.091 4.400 4.253 4.501 . 0 0 "[ . 1]" 1
42 1 6 SER HA 1 7 MET HB2 3.167 . 4.420 4.538 4.260 4.832 0.412 6 0 "[ . 1]" 1
43 1 6 SER HB2 1 7 MET H 3.273 . 4.612 4.166 3.085 4.592 . 0 0 "[ . 1]" 1
44 1 7 MET H 1 7 MET HA 2.646 . 3.521 2.910 2.836 2.950 . 0 0 "[ . 1]" 1
45 1 7 MET H 1 7 MET HB2 2.954 . 4.045 2.395 2.000 2.637 . 0 0 "[ . 1]" 1
46 1 7 MET H 1 7 MET HG2 2.762 . 3.715 3.876 2.873 4.462 0.747 6 2 "[ .+ - 1]" 1
47 1 7 MET H 1 8 VAL H 3.321 . 4.700 4.319 3.931 4.573 . 0 0 "[ . 1]" 1
48 1 7 MET HA 1 8 VAL H 2.381 . 3.090 2.170 2.110 2.253 . 0 0 "[ . 1]" 1
49 1 7 MET HA 1 71 THR H 3.093 . 4.288 3.246 2.155 4.289 0.001 1 0 "[ . 1]" 1
50 1 7 MET HA 1 72 PHE H 3.530 . 5.088 5.098 4.847 5.421 0.333 6 0 "[ . 1]" 1
51 1 8 VAL H 1 8 VAL HA 2.755 . 3.704 2.936 2.916 2.948 . 0 0 "[ . 1]" 1
52 1 8 VAL H 1 8 VAL HB 2.283 . 2.935 2.603 2.440 2.729 . 0 0 "[ . 1]" 1
53 1 8 VAL H 1 8 VAL MG2 2.189 . 2.788 2.554 2.253 2.881 0.093 8 0 "[ . 1]" 1
54 1 8 VAL H 1 72 PHE HB2 3.545 . 5.116 5.094 3.832 5.276 0.160 5 0 "[ . 1]" 1
55 1 8 VAL H 1 72 PHE HD1 3.395 . 4.836 4.417 3.432 5.006 0.170 1 0 "[ . 1]" 1
56 1 8 VAL HA 1 8 VAL HB 2.638 . 3.508 3.022 3.005 3.026 . 0 0 "[ . 1]" 1
57 1 8 VAL HA 1 8 VAL MG1 2.251 . 2.885 2.377 2.259 2.436 . 0 0 "[ . 1]" 1
58 1 8 VAL HA 1 8 VAL MG2 2.516 . 3.307 2.383 2.262 2.446 . 0 0 "[ . 1]" 1
59 1 8 VAL HA 1 9 ASN H 1.698 . 2.059 2.121 2.060 2.164 0.105 7 0 "[ . 1]" 1
60 1 8 VAL HA 1 9 ASN QB 3.177 . 4.438 4.271 4.158 4.347 . 0 0 "[ . 1]" 1
61 1 8 VAL HB 1 8 VAL MG2 2.470 . 3.232 2.129 2.116 2.133 . 0 0 "[ . 1]" 1
62 1 8 VAL HB 1 9 ASN H 4.675 . 7.407 4.007 3.913 4.159 . 0 0 "[ . 1]" 1
63 1 8 VAL HB 1 70 THR MG 2.860 . 3.882 3.344 2.757 3.870 . 0 0 "[ . 1]" 1
64 1 8 VAL HB 1 71 THR H 4.014 . 6.028 5.445 4.980 5.941 . 0 0 "[ . 1]" 1
65 1 8 VAL HB 1 72 PHE HD1 2.749 . 3.694 3.709 3.336 3.774 0.080 6 0 "[ . 1]" 1
66 1 8 VAL MG1 1 9 ASN H 1.721 . 2.091 2.180 2.148 2.239 0.148 8 0 "[ . 1]" 1
67 1 8 VAL MG1 1 70 THR MG 4.473 . 6.974 3.895 3.490 4.964 . 0 0 "[ . 1]" 1
68 1 8 VAL MG2 1 9 ASN H 3.560 . 5.144 3.871 3.631 3.983 . 0 0 "[ . 1]" 1
69 1 9 ASN H 1 9 ASN HA 2.800 . 3.780 2.916 2.873 2.938 . 0 0 "[ . 1]" 1
70 1 9 ASN H 1 9 ASN QB 2.290 . 2.946 2.402 2.272 2.587 . 0 0 "[ . 1]" 1
71 1 9 ASN H 1 9 ASN HD21 3.159 . 4.406 3.155 2.349 4.595 0.189 7 0 "[ . 1]" 1
72 1 9 ASN H 1 9 ASN HD22 3.315 . 4.689 4.200 3.707 4.789 0.100 4 0 "[ . 1]" 1
73 1 9 ASN H 1 10 LEU QB 3.909 . 5.819 5.603 5.431 5.788 . 0 0 "[ . 1]" 1
74 1 9 ASN HA 1 9 ASN QB 2.285 . 2.938 2.385 2.188 2.464 . 0 0 "[ . 1]" 1
75 1 9 ASN HA 1 10 LEU H 2.563 . 3.384 2.153 2.097 2.220 . 0 0 "[ . 1]" 1
76 1 9 ASN HA 1 10 LEU QB 3.519 . 5.067 4.058 3.899 4.549 . 0 0 "[ . 1]" 1
77 1 9 ASN HA 1 73 ARG H 3.155 . 4.399 3.270 2.852 3.731 . 0 0 "[ . 1]" 1
78 1 9 ASN QB 1 9 ASN HD21 2.528 . 3.327 2.220 2.106 2.754 . 0 0 "[ . 1]" 1
79 1 9 ASN QB 1 9 ASN HD22 2.762 . 3.715 3.272 3.200 3.470 . 0 0 "[ . 1]" 1
80 1 9 ASN QB 1 10 LEU H 3.172 . 4.429 3.229 2.801 3.449 . 0 0 "[ . 1]" 1
81 1 10 LEU H 1 10 LEU HA 2.506 . 3.291 2.903 2.881 2.956 . 0 0 "[ . 1]" 1
82 1 10 LEU H 1 10 LEU QB 2.219 . 2.835 2.305 2.094 2.776 . 0 0 "[ . 1]" 1
83 1 10 LEU H 1 73 ARG H 2.884 . 3.923 3.694 3.135 4.016 0.093 3 0 "[ . 1]" 1
84 1 10 LEU HA 1 10 LEU QB 2.640 . 3.511 2.392 2.164 2.538 . 0 0 "[ . 1]" 1
85 1 10 LEU HA 1 11 ALA H 3.133 . 4.360 2.143 2.079 2.230 . 0 0 "[ . 1]" 1
86 1 10 LEU HA 1 11 ALA MB 3.239 . 4.550 3.931 3.890 3.969 . 0 0 "[ . 1]" 1
87 1 10 LEU QB 1 11 ALA H 3.506 . 5.042 3.527 3.107 3.772 . 0 0 "[ . 1]" 1
88 1 10 LEU QB 1 12 PHE H 3.363 . 4.777 3.726 3.241 4.218 . 0 0 "[ . 1]" 1
89 1 11 ALA H 1 11 ALA HA 2.360 . 3.056 2.928 2.877 2.952 . 0 0 "[ . 1]" 1
90 1 11 ALA H 1 11 ALA MB 2.120 . 2.682 2.339 2.253 2.472 . 0 0 "[ . 1]" 1
91 1 11 ALA H 1 12 PHE H 1.977 . 2.466 2.111 1.888 2.380 . 0 0 "[ . 1]" 1
92 1 11 ALA HA 1 11 ALA MB 2.347 . 3.036 2.130 2.126 2.134 . 0 0 "[ . 1]" 1
93 1 11 ALA MB 1 12 PHE H 2.588 . 3.426 2.938 2.510 3.278 . 0 0 "[ . 1]" 1
94 1 11 ALA MB 1 12 PHE QB 3.322 . 4.702 3.564 3.089 3.997 . 0 0 "[ . 1]" 1
95 1 11 ALA MB 1 12 PHE QD 4.446 . 6.917 4.651 2.166 5.402 . 0 0 "[ . 1]" 1
96 1 12 PHE H 1 12 PHE HA 2.375 . 3.080 2.935 2.912 2.946 . 0 0 "[ . 1]" 1
97 1 12 PHE H 1 12 PHE QB 1.999 . 2.498 2.422 2.326 2.591 0.093 10 0 "[ . 1]" 1
98 1 12 PHE H 1 12 PHE QD 4.796 . 7.672 4.168 3.545 4.299 . 0 0 "[ . 1]" 1
99 1 12 PHE H 1 14 LYS H 6.257 . 11.151 6.907 6.542 7.140 . 0 0 "[ . 1]" 1
100 1 12 PHE HA 1 12 PHE QD 2.314 . 2.983 2.816 2.693 2.973 . 0 0 "[ . 1]" 1
101 1 12 PHE QB 1 12 PHE QD . . 2.858 2.134 2.127 2.167 . 0 0 "[ . 1]" 1
102 1 12 PHE QB 1 59 PHE HB3 8.076 . 16.228 10.139 8.259 12.250 . 0 0 "[ . 1]" 1
103 1 12 PHE QD 1 14 LYS H 3.454 . 4.946 4.809 3.613 6.704 1.758 8 1 "[ . + 1]" 1
104 1 14 LYS H 1 14 LYS HA 2.826 . 3.825 2.894 2.790 2.950 . 0 0 "[ . 1]" 1
105 1 14 LYS H 1 14 LYS QB 2.281 . 2.932 2.514 2.142 2.921 . 0 0 "[ . 1]" 1
106 1 14 LYS H 1 14 LYS QG 4.131 . 6.264 3.647 1.582 4.222 0.416 3 0 "[ . 1]" 1
107 1 14 LYS HA 1 14 LYS QB 2.306 . 2.971 2.340 2.169 2.488 . 0 0 "[ . 1]" 1
108 1 14 LYS HA 1 14 LYS QG 2.826 . 3.825 3.008 2.250 3.297 . 0 0 "[ . 1]" 1
109 1 14 LYS HA 1 15 ASN H 2.185 . 2.782 2.414 2.153 2.854 0.072 2 0 "[ . 1]" 1
110 1 14 LYS QB 1 14 LYS QG . . 2.359 1.991 1.954 2.069 . 0 0 "[ . 1]" 1
111 1 14 LYS QB 1 15 ASN H 4.239 . 6.485 3.912 3.708 4.002 . 0 0 "[ . 1]" 1
112 1 14 LYS QB 1 30 TYR H 2.921 . 3.987 3.576 2.603 4.065 0.078 5 0 "[ . 1]" 1
113 1 14 LYS QB 1 30 TYR HB2 2.901 . 3.953 2.627 1.355 3.777 0.494 8 0 "[ . 1]" 1
114 1 14 LYS HE2 1 14 LYS QG 2.714 . 3.635 2.784 2.305 3.488 . 0 0 "[ . 1]" 1
115 1 14 LYS QG 1 15 ASN H 3.612 . 5.243 4.098 3.450 4.553 . 0 0 "[ . 1]" 1
116 1 14 LYS QG 1 30 TYR HA 3.778 . 5.563 4.636 4.145 5.018 . 0 0 "[ . 1]" 1
117 1 14 LYS QG 1 30 TYR HB2 2.616 . 3.472 2.579 1.883 3.397 . 0 0 "[ . 1]" 1
118 1 14 LYS QG 1 30 TYR HB3 2.370 . 3.072 2.955 2.292 3.488 0.416 3 0 "[ . 1]" 1
119 1 14 LYS QG 1 30 TYR HD1 2.504 . 3.288 2.870 2.108 3.378 0.090 5 0 "[ . 1]" 1
120 1 14 LYS QG 1 31 VAL HA 5.497 . 9.274 6.399 4.570 7.464 . 0 0 "[ . 1]" 1
121 1 15 ASN H 1 15 ASN HA 2.491 . 3.267 2.904 2.859 2.940 . 0 0 "[ . 1]" 1
122 1 15 ASN H 1 15 ASN HB2 2.897 . 3.946 3.911 3.807 4.032 0.086 3 0 "[ . 1]" 1
123 1 15 ASN H 1 15 ASN HD21 1.833 . 2.253 2.015 1.480 2.400 0.147 8 0 "[ . 1]" 1
124 1 15 ASN H 1 15 ASN HD22 2.768 . 3.726 3.513 3.197 3.766 0.040 9 0 "[ . 1]" 1
125 1 15 ASN H 1 16 ASP H 3.553 . 5.131 4.395 4.314 4.509 . 0 0 "[ . 1]" 1
126 1 15 ASN H 1 30 TYR HD1 2.824 . 3.821 3.655 3.164 3.894 0.073 5 0 "[ . 1]" 1
127 1 15 ASN HA 1 15 ASN HB2 2.477 . 3.244 2.375 2.293 2.564 . 0 0 "[ . 1]" 1
128 1 15 ASN HA 1 16 ASP H 2.460 . 3.217 2.329 2.253 2.461 . 0 0 "[ . 1]" 1
129 1 15 ASN HA 1 29 VAL HA 2.886 . 3.927 2.505 2.116 3.001 . 0 0 "[ . 1]" 1
130 1 15 ASN HA 1 29 VAL MG2 7.252 . 13.826 5.248 4.901 5.614 . 0 0 "[ . 1]" 1
131 1 15 ASN HA 1 30 TYR H 2.621 . 3.480 3.118 2.583 3.528 0.048 2 0 "[ . 1]" 1
132 1 15 ASN HA 1 30 TYR HD1 2.400 . 3.120 2.523 1.908 3.336 0.216 5 0 "[ . 1]" 1
133 1 15 ASN HB2 1 15 ASN HD21 2.836 . 3.841 3.467 2.902 3.544 . 0 0 "[ . 1]" 1
134 1 15 ASN HB2 1 15 ASN HD22 3.404 . 4.853 4.048 3.762 4.095 . 0 0 "[ . 1]" 1
135 1 15 ASN HB2 1 16 ASP H 2.248 . 2.880 2.660 2.055 2.937 0.057 6 0 "[ . 1]" 1
136 1 15 ASN HB2 1 28 HIS H 3.613 . 5.245 4.055 3.546 4.517 . 0 0 "[ . 1]" 1
137 1 15 ASN HB2 1 29 VAL HA 1.878 . 2.319 2.312 1.785 3.027 0.708 7 1 "[ . + 1]" 1
138 1 15 ASN HB2 1 29 VAL MG1 1.957 . 2.436 2.198 1.792 2.788 0.352 7 0 "[ . 1]" 1
139 1 15 ASN HB2 1 29 VAL MG2 5.677 . 9.705 4.593 4.354 5.158 . 0 0 "[ . 1]" 1
140 1 15 ASN HD21 1 30 TYR H 5.169 . 8.509 5.605 5.169 6.019 . 0 0 "[ . 1]" 1
141 1 16 ASP H 1 16 ASP HA 2.914 . 3.975 2.933 2.907 2.954 . 0 0 "[ . 1]" 1
142 1 16 ASP H 1 16 ASP QB 2.805 . 3.788 2.896 2.531 3.232 . 0 0 "[ . 1]" 1
143 1 16 ASP H 1 17 SER H 4.291 . 6.592 4.327 4.276 4.379 . 0 0 "[ . 1]" 1
144 1 16 ASP H 1 17 SER HA 3.314 . 4.687 4.670 4.564 4.748 0.061 10 0 "[ . 1]" 1
145 1 16 ASP H 1 27 VAL MG1 3.096 . 4.294 3.265 2.979 3.671 . 0 0 "[ . 1]" 1
146 1 16 ASP H 1 28 HIS H 2.895 . 3.943 3.097 2.874 3.493 . 0 0 "[ . 1]" 1
147 1 16 ASP H 1 28 HIS HB2 3.444 . 4.927 4.115 3.045 5.097 0.170 1 0 "[ . 1]" 1
148 1 16 ASP H 1 29 VAL HA 3.307 . 4.674 3.643 3.143 3.940 . 0 0 "[ . 1]" 1
149 1 16 ASP H 1 29 VAL MG2 6.364 . 11.426 5.901 5.628 6.122 . 0 0 "[ . 1]" 1
150 1 16 ASP HA 1 16 ASP QB 2.003 . 2.505 2.283 2.171 2.426 . 0 0 "[ . 1]" 1
151 1 16 ASP HA 1 17 SER H 2.336 . 3.018 2.204 2.182 2.244 . 0 0 "[ . 1]" 1
152 1 16 ASP QB 1 17 SER H 2.376 . 3.081 2.965 2.836 3.041 . 0 0 "[ . 1]" 1
153 1 16 ASP QB 1 28 HIS H 3.574 . 5.171 4.307 3.774 4.950 . 0 0 "[ . 1]" 1
154 1 17 SER H 1 17 SER HA 2.949 . 4.036 2.936 2.930 2.943 . 0 0 "[ . 1]" 1
155 1 17 SER H 1 17 SER HB2 3.167 . 4.421 3.561 2.774 3.698 . 0 0 "[ . 1]" 1
156 1 17 SER H 1 17 SER HB3 3.089 . 4.282 3.094 2.720 3.238 . 0 0 "[ . 1]" 1
157 1 17 SER H 1 18 TYR QD 3.071 . 4.250 4.666 4.178 5.888 1.638 4 2 "[- +. 1]" 1
158 1 17 SER H 1 27 VAL MG1 2.864 . 3.889 3.696 3.613 3.807 . 0 0 "[ . 1]" 1
159 1 17 SER H 1 27 VAL MG2 3.405 . 4.854 4.449 4.306 4.660 . 0 0 "[ . 1]" 1
160 1 17 SER HA 1 17 SER HB2 2.288 . 2.942 2.560 2.534 2.588 . 0 0 "[ . 1]" 1
161 1 17 SER HA 1 17 SER HB3 2.233 . 2.856 2.438 2.359 2.991 0.135 3 0 "[ . 1]" 1
162 1 17 SER HA 1 18 TYR H 2.263 . 2.903 2.205 2.178 2.231 . 0 0 "[ . 1]" 1
163 1 17 SER HA 1 18 TYR QD 3.221 . 4.518 4.307 3.797 4.489 . 0 0 "[ . 1]" 1
164 1 17 SER HA 1 26 VAL H 4.207 . 6.419 5.495 5.320 5.737 . 0 0 "[ . 1]" 1
165 1 17 SER HA 1 27 VAL HA 2.298 . 2.958 2.111 1.985 2.388 . 0 0 "[ . 1]" 1
166 1 17 SER HA 1 27 VAL MG1 2.721 . 3.646 2.280 2.119 2.406 . 0 0 "[ . 1]" 1
167 1 17 SER HA 1 27 VAL MG2 1.978 . 2.467 2.250 2.122 2.449 . 0 0 "[ . 1]" 1
168 1 17 SER HA 1 28 HIS H 2.742 . 3.682 3.200 2.886 3.573 . 0 0 "[ . 1]" 1
169 1 17 SER HB2 1 18 TYR H 2.478 . 3.246 3.059 2.870 3.973 0.727 3 1 "[ + . 1]" 1
170 1 17 SER HB2 1 27 VAL HA 3.549 . 5.123 4.122 3.907 4.405 . 0 0 "[ . 1]" 1
171 1 17 SER HB2 1 27 VAL MG1 4.619 . 7.286 3.442 2.803 3.845 . 0 0 "[ . 1]" 1
172 1 17 SER HB2 1 27 VAL MG2 2.800 . 3.780 2.303 2.164 2.892 . 0 0 "[ . 1]" 1
173 1 17 SER HB3 1 18 TYR H 3.064 . 4.238 3.869 3.550 3.999 . 0 0 "[ . 1]" 1
174 1 17 SER HB3 1 27 VAL HA 3.617 . 5.253 3.947 3.655 5.119 . 0 0 "[ . 1]" 1
175 1 17 SER HB3 1 27 VAL MG1 2.402 . 3.123 2.480 2.021 4.082 0.959 3 1 "[ + . 1]" 1
176 1 17 SER HB3 1 27 VAL MG2 3.017 . 4.155 2.334 2.066 3.637 . 0 0 "[ . 1]" 1
177 1 18 TYR H 1 18 TYR QB 2.109 . 2.665 2.696 2.552 2.967 0.302 1 0 "[ . 1]" 1
178 1 18 TYR H 1 18 TYR QD 3.203 . 4.486 3.365 1.986 3.782 . 0 0 "[ . 1]" 1
179 1 18 TYR H 1 25 VAL MG1 6.055 . 10.638 5.262 3.345 5.880 . 0 0 "[ . 1]" 1
180 1 18 TYR H 1 26 VAL HB 5.640 . 9.616 6.035 5.718 6.599 . 0 0 "[ . 1]" 1
181 1 18 TYR H 1 27 VAL MG2 2.074 . 2.612 2.695 2.621 2.752 0.140 7 0 "[ . 1]" 1
182 1 18 TYR HA 1 18 TYR QB 2.570 . 3.395 2.370 2.155 2.492 . 0 0 "[ . 1]" 1
183 1 18 TYR HA 1 19 GLU QG 4.657 . 7.368 3.809 3.344 4.318 . 0 0 "[ . 1]" 1
184 1 18 TYR QB 1 18 TYR QD 3.093 . 3.391 2.282 2.217 2.326 . 0 0 "[ . 1]" 1
185 1 18 TYR QB 1 19 GLU H 2.219 . 2.835 2.873 2.714 2.962 0.127 8 0 "[ . 1]" 1
186 1 18 TYR QB 1 20 LYS HA 5.862 . 10.157 5.146 4.390 5.981 . 0 0 "[ . 1]" 1
187 1 18 TYR QD 1 19 GLU H 2.936 . 4.013 3.864 3.692 4.010 . 0 0 "[ . 1]" 1
188 1 18 TYR QD 1 26 VAL MG1 6.444 . 11.634 3.475 2.826 4.013 . 0 0 "[ . 1]" 1
189 1 18 TYR QD 1 27 VAL MG2 5.242 . 8.677 5.187 3.953 5.620 . 0 0 "[ . 1]" 1
190 1 19 GLU H 1 19 GLU HA 2.777 . 3.741 2.935 2.919 2.951 . 0 0 "[ . 1]" 1
191 1 19 GLU H 1 19 GLU HB2 2.856 . 3.875 2.473 2.398 2.524 . 0 0 "[ . 1]" 1
192 1 19 GLU H 1 19 GLU QG 3.191 . 4.464 2.901 2.687 3.157 . 0 0 "[ . 1]" 1
193 1 19 GLU H 1 20 LYS H 3.222 . 4.520 4.224 4.088 4.433 . 0 0 "[ . 1]" 1
194 1 19 GLU HA 1 19 GLU QG 2.118 . 2.679 2.311 2.203 2.446 . 0 0 "[ . 1]" 1
195 1 19 GLU HA 1 20 LYS H 2.196 . 2.799 2.103 2.048 2.169 . 0 0 "[ . 1]" 1
196 1 19 GLU HA 1 25 VAL HB 2.919 . 3.984 2.985 2.669 4.161 0.177 10 0 "[ . 1]" 1
197 1 19 GLU HA 1 25 VAL MG2 2.352 . 3.044 2.447 2.226 2.641 . 0 0 "[ . 1]" 1
198 1 19 GLU HA 1 26 VAL H 3.311 . 4.682 3.094 2.803 3.433 . 0 0 "[ . 1]" 1
199 1 19 GLU HB2 1 20 LYS HA 5.060 . 8.260 5.034 4.784 5.171 . 0 0 "[ . 1]" 1
200 1 19 GLU QG 1 20 LYS H 3.306 . 4.672 4.040 3.943 4.292 . 0 0 "[ . 1]" 1
201 1 19 GLU QG 1 23 ASP H 4.637 . 7.324 7.374 6.897 7.941 0.617 1 1 "[+ . 1]" 1
202 1 19 GLU QG 1 25 VAL HA 2.416 . 3.146 3.171 3.119 3.209 0.063 6 0 "[ . 1]" 1
203 1 19 GLU QG 1 25 VAL MG1 4.308 . 4.514 3.232 1.866 3.555 0.122 10 0 "[ . 1]" 1
204 1 19 GLU QG 1 25 VAL MG2 2.512 . 2.903 2.085 1.680 2.363 0.043 10 0 "[ . 1]" 1
205 1 20 LYS H 1 21 GLY H 3.268 . 4.603 4.261 4.180 4.412 . 0 0 "[ . 1]" 1
206 1 20 LYS H 1 24 SER H 3.761 . 5.529 4.735 4.378 5.142 . 0 0 "[ . 1]" 1
207 1 20 LYS H 1 25 VAL HA 2.478 . 3.246 2.234 2.056 2.391 . 0 0 "[ . 1]" 1
208 1 20 LYS H 1 25 VAL HB 2.871 . 3.901 4.181 3.940 5.132 1.231 10 1 "[ . +]" 1
209 1 20 LYS HA 1 21 GLY H 1.712 . 2.078 2.118 2.108 2.139 0.061 10 0 "[ . 1]" 1
210 1 21 GLY H 1 25 VAL HB 6.770 . 12.499 7.744 7.467 8.981 . 0 0 "[ . 1]" 1
211 1 23 ASP H 1 23 ASP HA 2.755 . 3.704 2.946 2.929 2.953 . 0 0 "[ . 1]" 1
212 1 23 ASP H 1 23 ASP HB2 2.261 . 2.900 2.858 2.587 3.062 0.162 7 0 "[ . 1]" 1
213 1 23 ASP H 1 23 ASP HB3 2.189 . 2.788 2.687 2.343 2.866 0.078 1 0 "[ . 1]" 1
214 1 23 ASP H 1 24 SER H 2.543 . 3.352 2.084 1.979 2.253 . 0 0 "[ . 1]" 1
215 1 23 ASP H 1 24 SER HB2 2.843 . 3.854 3.943 3.826 4.057 0.203 4 0 "[ . 1]" 1
216 1 23 ASP H 1 24 SER HB3 3.068 . 4.244 4.278 4.064 4.566 0.322 3 0 "[ . 1]" 1
217 1 23 ASP H 1 25 VAL HA 6.545 . 11.900 7.094 6.902 7.328 . 0 0 "[ . 1]" 1
218 1 23 ASP HA 1 23 ASP HB2 2.428 . 3.165 2.534 2.389 2.640 . 0 0 "[ . 1]" 1
219 1 23 ASP HA 1 23 ASP HB3 2.385 . 3.096 3.005 2.977 3.024 . 0 0 "[ . 1]" 1
220 1 23 ASP HA 1 24 SER H 3.227 . 4.529 3.286 3.025 3.474 . 0 0 "[ . 1]" 1
221 1 23 ASP HB2 1 24 SER H 3.089 . 4.282 4.242 3.804 4.360 0.078 9 0 "[ . 1]" 1
222 1 23 ASP HB3 1 102 LYS HA 4.142 . 6.287 6.272 4.695 6.615 0.328 4 0 "[ . 1]" 1
223 1 24 SER H 1 24 SER HA 2.906 . 3.962 2.930 2.922 2.938 . 0 0 "[ . 1]" 1
224 1 24 SER H 1 24 SER HB2 2.807 . 3.792 2.872 2.720 3.059 . 0 0 "[ . 1]" 1
225 1 24 SER H 1 24 SER HB3 3.044 . 4.203 2.844 2.548 3.674 . 0 0 "[ . 1]" 1
226 1 24 SER H 1 25 VAL H 3.462 . 4.960 4.452 4.386 4.517 . 0 0 "[ . 1]" 1
227 1 24 SER H 1 25 VAL HB 4.668 . 7.392 5.370 4.916 6.078 . 0 0 "[ . 1]" 1
228 1 24 SER HA 1 24 SER HB2 2.976 . 4.083 2.584 2.473 2.995 . 0 0 "[ . 1]" 1
229 1 24 SER HA 1 24 SER HB3 2.780 . 3.746 2.945 2.315 3.030 . 0 0 "[ . 1]" 1
230 1 24 SER HA 1 25 VAL H 2.370 . 3.072 2.205 2.137 2.287 . 0 0 "[ . 1]" 1
231 1 24 SER HA 1 25 VAL HB 3.092 . 4.287 4.439 4.387 4.489 0.202 8 0 "[ . 1]" 1
232 1 24 SER HB2 1 25 VAL H 2.992 . 4.111 3.970 3.666 4.086 . 0 0 "[ . 1]" 1
233 1 24 SER HB3 1 25 VAL H 2.776 . 3.739 3.617 2.994 3.772 0.033 9 0 "[ . 1]" 1
234 1 24 SER HB3 1 25 VAL HA 3.668 . 5.349 4.538 4.356 4.842 . 0 0 "[ . 1]" 1
235 1 24 SER HB3 1 25 VAL HB 5.168 . 8.507 5.799 5.641 6.158 . 0 0 "[ . 1]" 1
236 1 24 SER HB3 1 26 VAL MG1 4.098 . 6.197 4.985 4.296 5.410 . 0 0 "[ . 1]" 1
237 1 25 VAL H 1 25 VAL HB 2.425 . 3.160 3.301 2.794 3.391 0.231 3 0 "[ . 1]" 1
238 1 25 VAL H 1 25 VAL MG1 2.352 . 3.044 2.421 2.168 3.928 0.884 10 1 "[ . +]" 1
239 1 25 VAL H 1 25 VAL MG2 3.616 . 5.250 3.771 2.841 3.903 . 0 0 "[ . 1]" 1
240 1 25 VAL H 1 100 LEU H 3.151 . 4.392 3.311 3.034 3.609 . 0 0 "[ . 1]" 1
241 1 25 VAL H 1 100 LEU HB2 3.736 . 5.480 3.463 3.219 4.002 . 0 0 "[ . 1]" 1
242 1 25 VAL H 1 101 ARG H 3.344 . 4.742 4.944 4.688 5.260 0.518 7 1 "[ . + 1]" 1
243 1 25 VAL HA 1 25 VAL MG1 2.764 . 3.719 3.126 2.400 3.214 . 0 0 "[ . 1]" 1
244 1 25 VAL HA 1 25 VAL MG2 2.449 . 3.199 2.445 2.417 2.469 . 0 0 "[ . 1]" 1
245 1 25 VAL HA 1 26 VAL H 2.428 . 3.165 2.167 2.125 2.215 . 0 0 "[ . 1]" 1
246 1 25 VAL HA 1 26 VAL MG1 2.731 . 3.663 3.464 3.358 3.545 . 0 0 "[ . 1]" 1
247 1 25 VAL HB 1 25 VAL MG1 2.792 . 3.766 2.127 2.119 2.133 . 0 0 "[ . 1]" 1
248 1 25 VAL HB 1 25 VAL MG2 2.421 . 3.154 2.129 2.116 2.134 . 0 0 "[ . 1]" 1
249 1 25 VAL HB 1 26 VAL H 3.242 . 4.556 4.176 4.052 4.258 . 0 0 "[ . 1]" 1
250 1 25 VAL MG1 1 25 VAL MG2 3.334 . 4.723 2.084 2.071 2.099 . 0 0 "[ . 1]" 1
251 1 25 VAL MG2 1 26 VAL H 2.407 . 3.131 2.931 2.581 4.119 0.988 10 1 "[ . +]" 1
252 1 25 VAL MG2 1 26 VAL HB 6.129 . 10.825 5.253 4.991 6.319 . 0 0 "[ . 1]" 1
253 1 26 VAL H 1 26 VAL HB 2.532 . 3.334 3.270 3.119 3.411 0.077 1 0 "[ . 1]" 1
254 1 26 VAL H 1 26 VAL MG1 2.735 . 3.670 2.051 1.946 2.155 . 0 0 "[ . 1]" 1
255 1 26 VAL H 1 26 VAL MG2 3.189 . 4.461 3.761 3.698 3.822 . 0 0 "[ . 1]" 1
256 1 26 VAL H 1 100 LEU H 4.204 . 6.413 4.559 4.377 4.693 . 0 0 "[ . 1]" 1
257 1 26 VAL HA 1 26 VAL HB 2.914 . 3.976 2.331 2.281 2.369 . 0 0 "[ . 1]" 1
258 1 26 VAL HA 1 26 VAL MG1 3.303 . 4.667 3.184 3.152 3.203 . 0 0 "[ . 1]" 1
259 1 26 VAL HA 1 26 VAL MG2 2.510 . 3.298 2.522 2.468 2.581 . 0 0 "[ . 1]" 1
260 1 26 VAL HA 1 27 VAL H 2.410 . 3.136 2.112 2.064 2.145 . 0 0 "[ . 1]" 1
261 1 26 VAL HA 1 99 CYS HA 2.235 . 2.860 2.264 1.980 2.506 . 0 0 "[ . 1]" 1
262 1 26 VAL HA 1 100 LEU H 2.932 . 4.006 2.708 2.556 2.934 . 0 0 "[ . 1]" 1
263 1 26 VAL HB 1 26 VAL MG1 2.409 . 3.134 2.123 2.119 2.131 . 0 0 "[ . 1]" 1
264 1 26 VAL HB 1 26 VAL MG2 2.468 . 3.229 2.119 2.110 2.122 . 0 0 "[ . 1]" 1
265 1 26 VAL HB 1 98 ILE HB 4.004 . 6.008 6.121 6.074 6.165 0.157 6 0 "[ . 1]" 1
266 1 26 VAL MG1 1 99 CYS HB2 5.738 . 9.854 5.400 4.194 5.773 . 0 0 "[ . 1]" 1
267 1 26 VAL MG1 1 99 CYS HB3 3.513 . 5.055 4.716 4.440 5.568 0.513 8 1 "[ . + 1]" 1
268 1 26 VAL MG2 1 27 VAL H 2.632 . 3.498 2.638 2.475 2.872 . 0 0 "[ . 1]" 1
269 1 26 VAL MG2 1 97 ASP HA 3.423 . 4.887 3.748 3.373 4.211 . 0 0 "[ . 1]" 1
270 1 26 VAL MG2 1 98 ILE H 2.676 . 3.571 2.778 2.552 3.170 . 0 0 "[ . 1]" 1
271 1 26 VAL MG2 1 98 ILE HB 4.063 . 6.127 4.351 4.160 4.580 . 0 0 "[ . 1]" 1
272 1 26 VAL MG2 1 98 ILE MG 4.282 . 6.573 4.553 4.275 4.837 . 0 0 "[ . 1]" 1
273 1 26 VAL MG2 1 99 CYS H 3.555 . 5.135 3.877 3.388 4.429 . 0 0 "[ . 1]" 1
274 1 27 VAL H 1 27 VAL HA 2.387 . 3.099 2.944 2.937 2.950 . 0 0 "[ . 1]" 1
275 1 27 VAL H 1 27 VAL HB 2.589 . 3.427 2.623 2.567 2.676 . 0 0 "[ . 1]" 1
276 1 27 VAL H 1 27 VAL MG1 3.483 . 4.999 3.844 3.816 3.870 . 0 0 "[ . 1]" 1
277 1 27 VAL H 1 27 VAL MG2 2.440 . 3.184 2.616 2.559 2.684 . 0 0 "[ . 1]" 1
278 1 27 VAL H 1 28 HIS HA 3.768 . 5.543 4.928 4.717 5.020 . 0 0 "[ . 1]" 1
279 1 27 VAL H 1 98 ILE H 2.721 . 3.647 3.007 2.727 3.518 . 0 0 "[ . 1]" 1
280 1 27 VAL H 1 98 ILE HB 2.995 . 4.116 3.252 3.159 3.402 . 0 0 "[ . 1]" 1
281 1 27 VAL H 1 99 CYS HA 3.605 . 5.229 3.746 3.562 3.850 . 0 0 "[ . 1]" 1
282 1 27 VAL HA 1 27 VAL MG1 1.849 . 2.276 2.274 2.247 2.302 0.026 4 0 "[ . 1]" 1
283 1 27 VAL HA 1 27 VAL MG2 2.081 . 2.622 2.336 2.288 2.390 . 0 0 "[ . 1]" 1
284 1 27 VAL HA 1 28 HIS H 2.596 . 3.438 2.260 2.223 2.346 . 0 0 "[ . 1]" 1
285 1 27 VAL HA 1 99 CYS H 6.117 . 10.795 7.871 7.660 8.026 . 0 0 "[ . 1]" 1
286 1 27 VAL HB 1 98 ILE HB 2.577 . 3.407 3.430 3.283 3.490 0.083 1 0 "[ . 1]" 1
287 1 27 VAL MG1 1 28 HIS H 1.675 . 2.026 2.055 2.006 2.115 0.089 9 0 "[ . 1]" 1
288 1 27 VAL MG1 1 98 ILE HB 4.416 . 6.854 4.691 4.622 4.792 . 0 0 "[ . 1]" 1
289 1 27 VAL MG2 1 28 HIS H 3.892 . 5.786 3.886 3.804 3.988 . 0 0 "[ . 1]" 1
290 1 27 VAL MG2 1 99 CYS HA 4.425 . 6.873 5.124 4.863 5.323 . 0 0 "[ . 1]" 1
291 1 28 HIS H 1 28 HIS HA 2.676 . 3.571 2.947 2.917 2.963 . 0 0 "[ . 1]" 1
292 1 28 HIS H 1 28 HIS HB2 2.792 . 3.766 3.196 2.629 3.851 0.085 1 0 "[ . 1]" 1
293 1 28 HIS H 1 98 ILE HA 5.798 . 10.000 7.783 7.566 7.983 . 0 0 "[ . 1]" 1
294 1 28 HIS HA 1 29 VAL H 2.436 . 3.178 2.120 2.004 2.185 . 0 0 "[ . 1]" 1
295 1 28 HIS HA 1 96 ILE H 3.790 . 5.586 4.447 4.056 4.878 . 0 0 "[ . 1]" 1
296 1 28 HIS HA 1 96 ILE MG 3.155 . 4.399 4.235 4.106 4.322 . 0 0 "[ . 1]" 1
297 1 28 HIS HA 1 97 ASP H 6.215 . 11.043 4.695 4.400 5.020 . 0 0 "[ . 1]" 1
298 1 28 HIS HB2 1 29 VAL H 3.340 . 4.734 3.932 3.153 4.538 . 0 0 "[ . 1]" 1
299 1 29 VAL H 1 29 VAL HB 3.123 . 4.342 3.704 3.635 3.763 . 0 0 "[ . 1]" 1
300 1 29 VAL H 1 29 VAL MG1 2.531 . 3.332 2.523 2.423 2.610 . 0 0 "[ . 1]" 1
301 1 29 VAL H 1 29 VAL MG2 2.978 . 4.087 2.047 1.881 2.228 . 0 0 "[ . 1]" 1
302 1 29 VAL H 1 30 TYR H 3.826 . 5.656 4.517 4.464 4.595 . 0 0 "[ . 1]" 1
303 1 29 VAL H 1 96 ILE H 2.987 . 4.102 3.375 3.133 3.808 . 0 0 "[ . 1]" 1
304 1 29 VAL H 1 96 ILE HB 2.540 . 3.346 3.349 3.116 3.518 0.172 2 0 "[ . 1]" 1
305 1 29 VAL HA 1 29 VAL MG1 2.032 . 2.548 2.308 2.242 2.389 . 0 0 "[ . 1]" 1
306 1 29 VAL HA 1 29 VAL MG2 3.635 . 5.287 3.214 3.209 3.224 . 0 0 "[ . 1]" 1
307 1 29 VAL HA 1 30 TYR H 2.439 . 3.183 2.243 2.155 2.339 . 0 0 "[ . 1]" 1
308 1 29 VAL HB 1 29 VAL MG1 2.002 . 2.503 2.119 2.116 2.122 . 0 0 "[ . 1]" 1
309 1 29 VAL HB 1 29 VAL MG2 2.477 . 3.244 2.131 2.125 2.135 . 0 0 "[ . 1]" 1
310 1 29 VAL HB 1 30 TYR HB2 5.465 . 9.198 5.526 4.850 6.148 . 0 0 "[ . 1]" 1
311 1 29 VAL HB 1 96 ILE HB 3.829 . 5.661 4.458 4.219 4.795 . 0 0 "[ . 1]" 1
312 1 29 VAL HB 1 96 ILE MG 5.332 . 8.886 5.008 4.738 5.351 . 0 0 "[ . 1]" 1
313 1 29 VAL MG1 1 29 VAL MG2 3.177 . 4.438 2.082 2.073 2.090 . 0 0 "[ . 1]" 1
314 1 29 VAL MG1 1 30 TYR H 3.107 . 4.314 3.884 3.727 3.979 . 0 0 "[ . 1]" 1
315 1 29 VAL MG2 1 30 TYR H 3.500 . 5.031 3.661 3.411 3.916 . 0 0 "[ . 1]" 1
316 1 29 VAL MG2 1 31 VAL H 5.090 . 8.329 3.671 3.462 3.835 . 0 0 "[ . 1]" 1
317 1 29 VAL MG2 1 94 SER HA 8.625 . 17.925 8.001 7.455 8.506 . 0 0 "[ . 1]" 1
318 1 29 VAL MG2 1 96 ILE H 2.962 . 4.059 3.064 2.925 3.343 . 0 0 "[ . 1]" 1
319 1 29 VAL MG2 1 96 ILE HB 2.317 . 2.988 1.873 1.660 2.129 . 0 0 "[ . 1]" 1
320 1 29 VAL MG2 1 97 ASP H 3.625 . 5.268 4.848 4.633 4.971 . 0 0 "[ . 1]" 1
321 1 30 TYR H 1 30 TYR HA 2.198 . 2.802 2.890 2.834 2.930 0.128 10 0 "[ . 1]" 1
322 1 30 TYR H 1 30 TYR HB2 2.921 . 3.987 2.898 2.305 3.610 . 0 0 "[ . 1]" 1
323 1 30 TYR H 1 30 TYR HB3 2.424 . 3.158 3.236 2.573 3.721 0.563 10 2 "[ -. +]" 1
324 1 30 TYR H 1 30 TYR HD1 2.633 . 3.499 2.075 1.706 2.566 0.061 2 0 "[ . 1]" 1
325 1 30 TYR H 1 31 VAL H 3.512 . 5.054 4.201 4.004 4.361 . 0 0 "[ . 1]" 1
326 1 30 TYR H 1 31 VAL MG2 3.093 . 4.288 3.842 3.445 4.160 . 0 0 "[ . 1]" 1
327 1 30 TYR H 1 32 LYS QG 4.253 . 6.514 6.763 6.193 7.383 0.869 8 3 "[ *. -+ 1]" 1
328 1 30 TYR HA 1 30 TYR HB2 2.038 . 2.557 2.806 2.423 3.028 0.471 1 0 "[ . 1]" 1
329 1 30 TYR HA 1 30 TYR HB3 2.596 . 3.438 2.480 2.400 2.551 . 0 0 "[ . 1]" 1
330 1 30 TYR HA 1 30 TYR HD1 2.995 . 4.116 3.919 3.681 4.091 . 0 0 "[ . 1]" 1
331 1 30 TYR HA 1 31 VAL H 2.239 . 2.866 2.186 2.157 2.239 . 0 0 "[ . 1]" 1
332 1 30 TYR HA 1 31 VAL HA 3.489 . 5.010 4.378 4.346 4.394 . 0 0 "[ . 1]" 1
333 1 30 TYR HA 1 31 VAL HB 4.308 . 6.628 4.803 4.576 4.987 . 0 0 "[ . 1]" 1
334 1 30 TYR HA 1 95 ARG HA 3.901 . 5.803 3.067 2.274 4.167 . 0 0 "[ . 1]" 1
335 1 30 TYR HB2 1 30 TYR HD1 2.688 . 3.591 2.963 2.402 3.703 0.112 6 0 "[ . 1]" 1
336 1 30 TYR HB2 1 31 VAL H 3.227 . 4.529 4.212 3.757 4.499 . 0 0 "[ . 1]" 1
337 1 30 TYR HB3 1 30 TYR HD1 2.691 . 3.596 3.214 2.477 3.698 0.102 8 0 "[ . 1]" 1
338 1 30 TYR HB3 1 31 VAL H 3.576 . 5.174 4.121 3.829 4.525 . 0 0 "[ . 1]" 1
339 1 30 TYR HD1 1 31 VAL H 5.672 . 9.694 5.717 5.564 5.887 . 0 0 "[ . 1]" 1
340 1 31 VAL H 1 31 VAL HA 2.763 . 3.717 2.945 2.927 2.961 . 0 0 "[ . 1]" 1
341 1 31 VAL H 1 31 VAL HB 2.811 . 3.798 2.707 2.443 2.919 . 0 0 "[ . 1]" 1
342 1 31 VAL H 1 31 VAL MG1 3.199 . 4.478 3.854 3.747 3.944 . 0 0 "[ . 1]" 1
343 1 31 VAL H 1 31 VAL MG2 3.013 . 4.148 2.680 2.455 2.916 . 0 0 "[ . 1]" 1
344 1 31 VAL H 1 32 LYS H 3.527 . 5.082 4.207 4.118 4.348 . 0 0 "[ . 1]" 1
345 1 31 VAL H 1 95 ARG QG 3.399 . 4.843 4.401 3.838 4.723 . 0 0 "[ . 1]" 1
346 1 31 VAL H 1 96 ILE H 2.646 . 3.521 3.425 3.146 3.609 0.088 10 0 "[ . 1]" 1
347 1 31 VAL H 1 96 ILE HB 3.035 . 4.186 4.321 4.247 4.383 0.197 7 0 "[ . 1]" 1
348 1 31 VAL HA 1 31 VAL HB 2.672 . 3.565 3.007 3.000 3.015 . 0 0 "[ . 1]" 1
349 1 31 VAL HA 1 31 VAL MG1 2.063 . 2.595 2.363 2.273 2.454 . 0 0 "[ . 1]" 1
350 1 31 VAL HA 1 31 VAL MG2 2.239 . 2.866 2.436 2.298 2.575 . 0 0 "[ . 1]" 1
351 1 31 VAL HA 1 32 LYS H 1.666 . 2.013 2.093 2.061 2.161 0.148 4 0 "[ . 1]" 1
352 1 31 VAL HA 1 32 LYS HB2 5.196 . 8.571 5.604 5.506 5.660 . 0 0 "[ . 1]" 1
353 1 31 VAL HB 1 31 VAL MG1 2.258 . 2.895 2.118 2.109 2.122 . 0 0 "[ . 1]" 1
354 1 31 VAL HB 1 31 VAL MG2 2.430 . 3.168 2.130 2.127 2.133 . 0 0 "[ . 1]" 1
355 1 31 VAL HB 1 32 LYS H 3.032 . 4.181 4.194 3.787 4.346 0.165 5 0 "[ . 1]" 1
356 1 31 VAL MG1 1 31 VAL MG2 2.868 . 3.897 2.086 2.077 2.096 . 0 0 "[ . 1]" 1
357 1 31 VAL MG1 1 32 LYS H 2.755 . 3.704 2.788 2.210 2.999 . 0 0 "[ . 1]" 1
358 1 31 VAL MG1 1 33 GLU H 3.859 . 5.721 4.850 4.423 5.438 . 0 0 "[ . 1]" 1
359 1 31 VAL MG1 1 55 ARG H 7.262 . 13.854 6.701 5.552 7.612 . 0 0 "[ . 1]" 1
360 1 31 VAL MG1 1 56 ASP H 9.638 . 21.248 9.345 7.554 10.462 . 0 0 "[ . 1]" 1
361 1 31 VAL MG1 1 96 ILE HA 5.371 . 8.977 6.325 5.299 7.487 . 0 0 "[ . 1]" 1
362 1 31 VAL MG1 1 96 ILE HB 4.812 . 7.707 4.856 4.067 5.955 . 0 0 "[ . 1]" 1
363 1 31 VAL MG2 1 32 LYS H 3.085 . 4.275 4.085 3.934 4.250 . 0 0 "[ . 1]" 1
364 1 31 VAL MG2 1 96 ILE HB 3.745 . 5.498 2.857 2.153 3.539 . 0 0 "[ . 1]" 1
365 1 31 VAL MG2 1 96 ILE MG 5.825 . 10.067 3.627 2.972 4.334 . 0 0 "[ . 1]" 1
366 1 32 LYS H 1 32 LYS HB2 2.672 . 3.565 3.741 3.650 3.799 0.234 5 0 "[ . 1]" 1
367 1 32 LYS H 1 32 LYS QE 3.007 . 4.137 4.431 4.035 4.965 0.828 2 2 "[ + -. 1]" 1
368 1 32 LYS H 1 32 LYS QG 1.923 . 2.385 2.195 2.022 2.346 . 0 0 "[ . 1]" 1
369 1 32 LYS HA 1 32 LYS HB3 2.520 . 3.314 2.388 2.342 2.444 . 0 0 "[ . 1]" 1
370 1 32 LYS HA 1 32 LYS QG 3.380 . 4.808 3.323 3.308 3.340 . 0 0 "[ . 1]" 1
371 1 32 LYS HA 1 33 GLU H 2.346 . 3.034 2.293 2.169 2.468 . 0 0 "[ . 1]" 1
372 1 32 LYS HA 1 33 GLU HA 3.181 . 4.446 4.438 4.357 4.537 0.091 7 0 "[ . 1]" 1
373 1 32 LYS HA 1 34 ILE H 4.256 . 6.520 3.656 3.502 3.758 . 0 0 "[ . 1]" 1
374 1 32 LYS HB2 1 33 GLU H 2.219 . 2.835 2.645 2.276 2.912 0.077 6 0 "[ . 1]" 1
375 1 32 LYS HB2 1 33 GLU HA 5.561 . 9.427 4.461 4.184 4.658 . 0 0 "[ . 1]" 1
376 1 32 LYS HB2 1 34 ILE H 3.437 . 4.914 5.006 4.786 5.076 0.162 3 0 "[ . 1]" 1
377 1 32 LYS HB3 1 33 GLU HA 4.902 . 7.905 5.885 5.720 5.999 . 0 0 "[ . 1]" 1
378 1 32 LYS QG 1 33 GLU H 3.985 . 5.970 3.902 3.477 4.238 . 0 0 "[ . 1]" 1
379 1 33 GLU H 1 33 GLU HA 2.326 . 3.002 2.264 2.249 2.277 . 0 0 "[ . 1]" 1
380 1 33 GLU H 1 33 GLU QG 2.366 . 3.066 2.760 2.495 3.134 0.068 8 0 "[ . 1]" 1
381 1 33 GLU H 1 34 ILE H 2.928 . 4.000 2.802 2.664 2.893 . 0 0 "[ . 1]" 1
382 1 33 GLU HA 1 33 GLU HB3 2.428 . 3.165 2.432 2.356 2.533 . 0 0 "[ . 1]" 1
383 1 33 GLU HA 1 33 GLU QG 2.627 . 3.489 2.634 2.259 3.318 . 0 0 "[ . 1]" 1
384 1 33 GLU HA 1 34 ILE H 2.711 . 3.629 2.774 2.631 2.872 . 0 0 "[ . 1]" 1
385 1 33 GLU HA 1 34 ILE HB 4.123 . 6.248 5.166 4.940 5.303 . 0 0 "[ . 1]" 1
386 1 33 GLU HB3 1 33 GLU QG 2.023 . 2.535 2.332 2.145 2.453 . 0 0 "[ . 1]" 1
387 1 33 GLU QG 1 34 ILE H 4.136 . 6.274 4.458 3.923 4.779 . 0 0 "[ . 1]" 1
388 1 33 GLU QG 1 55 ARG H 3.445 . 4.929 4.302 3.075 4.671 . 0 0 "[ . 1]" 1
389 1 33 GLU QG 1 56 ASP H 5.474 . 9.219 6.351 5.562 7.230 . 0 0 "[ . 1]" 1
390 1 34 ILE H 1 34 ILE HB 2.299 . 2.959 2.476 2.164 2.674 . 0 0 "[ . 1]" 1
391 1 34 ILE H 1 34 ILE MG 3.273 . 4.612 3.714 3.244 3.808 . 0 0 "[ . 1]" 1
392 1 34 ILE HA 1 34 ILE HB 2.875 . 3.908 3.002 2.860 3.023 . 0 0 "[ . 1]" 1
393 1 34 ILE HA 1 34 ILE MG 2.567 . 3.391 2.479 2.288 2.950 . 0 0 "[ . 1]" 1
394 1 34 ILE HA 1 35 CYS H 2.548 . 3.359 2.158 2.121 2.196 . 0 0 "[ . 1]" 1
395 1 34 ILE HA 1 54 THR HA 2.537 . 3.341 2.439 2.086 2.993 . 0 0 "[ . 1]" 1
396 1 34 ILE HA 1 55 ARG H 3.513 . 5.055 4.083 3.371 4.596 . 0 0 "[ . 1]" 1
397 1 34 ILE HB 1 34 ILE MG 2.250 . 2.883 2.128 2.110 2.136 . 0 0 "[ . 1]" 1
398 1 34 ILE MG 1 35 CYS H 2.720 . 3.645 2.566 2.396 2.772 . 0 0 "[ . 1]" 1
399 1 34 ILE MG 1 35 CYS HB3 3.077 . 4.260 3.858 3.563 4.097 . 0 0 "[ . 1]" 1
400 1 34 ILE MG 1 36 ARG H 3.657 . 5.329 3.468 3.241 3.704 . 0 0 "[ . 1]" 1
401 1 34 ILE MG 1 36 ARG HA 2.845 . 3.857 2.903 2.661 3.139 . 0 0 "[ . 1]" 1
402 1 34 ILE MG 1 36 ARG QD 3.217 . 4.511 2.537 2.091 3.714 . 0 0 "[ . 1]" 1
403 1 34 ILE MG 1 36 ARG QG 2.724 . 3.652 3.390 2.761 3.517 . 0 0 "[ . 1]" 1
404 1 34 ILE MG 1 39 SER HA 3.562 . 5.148 3.936 3.695 4.231 . 0 0 "[ . 1]" 1
405 1 34 ILE MG 1 39 SER HB3 2.077 . 2.616 2.266 1.980 2.437 . 0 0 "[ . 1]" 1
406 1 34 ILE MG 1 52 PHE HA 4.200 . 6.405 4.473 4.093 5.046 . 0 0 "[ . 1]" 1
407 1 34 ILE MG 1 52 PHE HB3 3.054 . 4.220 3.323 3.038 3.738 . 0 0 "[ . 1]" 1
408 1 34 ILE MG 1 53 GLN H 3.107 . 4.314 3.513 2.890 4.142 . 0 0 "[ . 1]" 1
409 1 34 ILE MG 1 54 THR HA 4.740 . 7.549 4.060 3.444 4.683 . 0 0 "[ . 1]" 1
410 1 34 ILE MG 1 54 THR HB 5.159 . 8.486 4.371 3.078 6.012 . 0 0 "[ . 1]" 1
411 1 35 CYS H 1 35 CYS HB2 2.860 . 3.882 2.628 2.491 2.739 . 0 0 "[ . 1]" 1
412 1 35 CYS H 1 35 CYS HB3 3.064 . 4.238 2.475 2.409 2.563 . 0 0 "[ . 1]" 1
413 1 35 CYS H 1 36 ARG H 3.751 . 5.510 4.137 4.069 4.274 . 0 0 "[ . 1]" 1
414 1 35 CYS H 1 53 GLN H 3.138 . 4.369 3.650 3.450 4.082 . 0 0 "[ . 1]" 1
415 1 35 CYS H 1 54 THR HA 2.556 . 3.373 2.623 2.094 2.935 . 0 0 "[ . 1]" 1
416 1 35 CYS H 1 54 THR HB 4.583 . 7.209 4.453 3.670 5.321 . 0 0 "[ . 1]" 1
417 1 35 CYS HA 1 35 CYS HB2 2.731 . 3.663 2.475 2.443 2.526 . 0 0 "[ . 1]" 1
418 1 35 CYS HA 1 35 CYS HB3 2.780 . 3.746 3.030 3.026 3.034 . 0 0 "[ . 1]" 1
419 1 35 CYS HA 1 36 ARG H 2.691 . 3.596 2.183 2.145 2.208 . 0 0 "[ . 1]" 1
420 1 35 CYS HB2 1 53 GLN QB 2.784 . 3.753 2.907 2.649 3.372 . 0 0 "[ . 1]" 1
421 1 35 CYS HB3 1 36 ARG H 3.350 . 4.753 4.430 4.371 4.471 . 0 0 "[ . 1]" 1
422 1 35 CYS HB3 1 39 SER HB2 5.757 . 9.900 6.519 6.313 6.802 . 0 0 "[ . 1]" 1
423 1 35 CYS HB3 1 53 GLN QB 3.099 . 4.300 2.055 1.684 2.490 0.214 7 0 "[ . 1]" 1
424 1 36 ARG H 1 36 ARG HA 2.805 . 3.788 2.806 2.796 2.822 . 0 0 "[ . 1]" 1
425 1 36 ARG H 1 36 ARG HB2 3.071 . 4.250 2.514 2.394 2.617 . 0 0 "[ . 1]" 1
426 1 36 ARG H 1 36 ARG HB3 2.619 . 3.476 3.567 3.548 3.591 0.115 4 0 "[ . 1]" 1
427 1 36 ARG H 1 36 ARG QD 2.603 . 3.450 3.162 1.697 3.419 0.059 4 0 "[ . 1]" 1
428 1 36 ARG H 1 36 ARG QG 2.922 . 3.989 2.100 1.890 2.952 . 0 0 "[ . 1]" 1
429 1 36 ARG H 1 37 ASP H 2.886 . 3.927 2.628 2.504 2.699 . 0 0 "[ . 1]" 1
430 1 36 ARG H 1 37 ASP HA 4.977 . 8.074 5.182 5.052 5.236 . 0 0 "[ . 1]" 1
431 1 36 ARG HA 1 36 ARG HB2 2.530 . 3.330 3.020 3.012 3.025 . 0 0 "[ . 1]" 1
432 1 36 ARG HA 1 36 ARG HB3 2.403 . 3.125 2.453 2.403 2.510 . 0 0 "[ . 1]" 1
433 1 36 ARG HA 1 36 ARG QD 2.552 . 3.366 2.166 1.953 3.340 . 0 0 "[ . 1]" 1
434 1 36 ARG HA 1 36 ARG QG 2.666 . 3.555 2.844 2.264 2.991 . 0 0 "[ . 1]" 1
435 1 36 ARG HA 1 37 ASP H 3.151 . 4.392 3.408 3.353 3.442 . 0 0 "[ . 1]" 1
436 1 36 ARG HA 1 38 THR H 2.565 . 3.387 3.662 3.466 3.871 0.484 4 0 "[ . 1]" 1
437 1 36 ARG HA 1 39 SER H 3.109 . 4.317 3.075 2.905 3.307 . 0 0 "[ . 1]" 1
438 1 36 ARG HB2 1 36 ARG QD 2.840 . 3.848 3.332 2.707 3.505 . 0 0 "[ . 1]" 1
439 1 36 ARG HB2 1 37 ASP H 3.119 . 4.335 3.108 3.059 3.234 . 0 0 "[ . 1]" 1
440 1 36 ARG HB3 1 36 ARG QD 3.126 . 4.347 2.715 2.305 3.523 . 0 0 "[ . 1]" 1
441 1 36 ARG QD 1 36 ARG QG 2.357 . 3.052 2.035 1.989 2.090 . 0 0 "[ . 1]" 1
442 1 36 ARG QG 1 37 ASP H 3.189 . 4.461 4.173 4.041 4.470 0.009 4 0 "[ . 1]" 1
443 1 36 ARG QG 1 53 GLN QB 5.862 . 10.157 7.269 7.044 7.520 . 0 0 "[ . 1]" 1
444 1 37 ASP H 1 37 ASP HA 2.701 . 3.613 2.809 2.778 2.837 . 0 0 "[ . 1]" 1
445 1 37 ASP H 1 37 ASP HB2 2.619 . 3.476 2.513 2.279 2.734 . 0 0 "[ . 1]" 1
446 1 37 ASP H 1 37 ASP HB3 2.601 . 3.447 3.354 2.566 3.572 0.125 4 0 "[ . 1]" 1
447 1 37 ASP H 1 38 THR H 2.566 . 3.389 2.616 2.513 2.734 . 0 0 "[ . 1]" 1
448 1 37 ASP H 1 38 THR MG 3.071 . 4.250 4.108 4.060 4.217 . 0 0 "[ . 1]" 1
449 1 37 ASP H 1 39 SER H 3.358 . 4.767 3.907 3.783 4.059 . 0 0 "[ . 1]" 1
450 1 37 ASP HA 1 37 ASP HB2 2.635 . 3.503 2.910 2.487 3.025 . 0 0 "[ . 1]" 1
451 1 37 ASP HA 1 37 ASP HB3 2.128 . 2.694 2.568 2.353 3.030 0.336 9 0 "[ . 1]" 1
452 1 37 ASP HA 1 38 THR H 3.026 . 4.171 3.462 3.424 3.530 . 0 0 "[ . 1]" 1
453 1 37 ASP HA 1 38 THR MG 3.072 . 4.252 4.119 3.939 4.183 . 0 0 "[ . 1]" 1
454 1 37 ASP HB2 1 38 THR H 2.657 . 3.539 3.187 2.746 4.017 0.478 8 0 "[ . 1]" 1
455 1 37 ASP HB2 1 38 THR MG 2.675 . 3.570 2.763 2.213 3.858 0.288 8 0 "[ . 1]" 1
456 1 37 ASP HB3 1 38 THR H 2.920 . 3.986 3.750 2.907 4.075 0.089 10 0 "[ . 1]" 1
457 1 37 ASP HB3 1 38 THR MG 2.857 . 3.877 2.881 2.279 3.343 . 0 0 "[ . 1]" 1
458 1 38 THR H 1 38 THR HA 2.742 . 3.682 2.945 2.942 2.949 . 0 0 "[ . 1]" 1
459 1 38 THR H 1 38 THR HB 3.273 . 4.612 3.759 3.731 3.781 . 0 0 "[ . 1]" 1
460 1 38 THR H 1 38 THR MG 2.449 . 3.199 2.761 2.674 2.838 . 0 0 "[ . 1]" 1
461 1 38 THR H 1 39 SER H 1.983 . 2.475 1.960 1.846 2.099 . 0 0 "[ . 1]" 1
462 1 38 THR H 1 39 SER HB2 4.286 . 6.582 5.310 5.261 5.352 . 0 0 "[ . 1]" 1
463 1 38 THR H 1 39 SER HB3 2.826 . 3.825 3.933 3.887 3.954 0.129 3 0 "[ . 1]" 1
464 1 38 THR H 1 52 PHE HB3 5.722 . 9.814 5.668 5.501 5.829 . 0 0 "[ . 1]" 1
465 1 38 THR HA 1 38 THR MG 2.068 . 2.602 2.341 2.298 2.362 . 0 0 "[ . 1]" 1
466 1 38 THR HA 1 39 SER H 2.859 . 3.880 3.226 3.145 3.353 . 0 0 "[ . 1]" 1
467 1 38 THR HB 1 38 THR MG 2.219 . 2.835 2.116 2.112 2.122 . 0 0 "[ . 1]" 1
468 1 38 THR HB 1 53 GLN HG3 2.920 . 3.986 3.401 2.830 3.830 . 0 0 "[ . 1]" 1
469 1 38 THR MG 1 39 SER H 3.119 . 4.335 4.095 4.030 4.131 . 0 0 "[ . 1]" 1
470 1 38 THR MG 1 53 GLN HA 5.577 . 9.464 5.907 5.525 6.173 . 0 0 "[ . 1]" 1
471 1 38 THR MG 1 53 GLN HG3 4.086 . 6.173 3.825 3.184 4.447 . 0 0 "[ . 1]" 1
472 1 39 SER H 1 39 SER HA 2.835 . 3.840 2.849 2.803 2.903 . 0 0 "[ . 1]" 1
473 1 39 SER H 1 39 SER HB2 2.792 . 3.767 3.582 3.558 3.635 . 0 0 "[ . 1]" 1
474 1 39 SER H 1 39 SER HB3 2.757 . 3.707 2.623 2.462 2.737 . 0 0 "[ . 1]" 1
475 1 39 SER H 1 40 ARG H 3.701 . 5.414 4.406 4.294 4.480 . 0 0 "[ . 1]" 1
476 1 39 SER H 1 52 PHE HB3 3.071 . 4.250 4.342 4.312 4.393 0.143 9 0 "[ . 1]" 1
477 1 39 SER H 1 53 GLN H 3.324 . 4.705 4.446 4.062 4.736 0.031 1 0 "[ . 1]" 1
478 1 39 SER HA 1 39 SER HB2 2.478 . 3.246 2.474 2.433 2.501 . 0 0 "[ . 1]" 1
479 1 39 SER HA 1 39 SER HB3 2.711 . 3.629 2.439 2.415 2.473 . 0 0 "[ . 1]" 1
480 1 39 SER HA 1 40 ARG H 2.362 . 3.060 2.113 2.090 2.135 . 0 0 "[ . 1]" 1
481 1 39 SER HA 1 40 ARG QB 3.796 . 5.597 4.197 3.928 4.488 . 0 0 "[ . 1]" 1
482 1 39 SER HA 1 51 ILE MG 3.276 . 4.618 4.353 4.184 4.481 . 0 0 "[ . 1]" 1
483 1 39 SER HA 1 52 PHE HB3 3.282 . 4.629 1.840 1.540 1.911 0.395 5 0 "[ . 1]" 1
484 1 39 SER HA 1 52 PHE HD1 3.172 . 4.429 3.777 3.415 3.978 . 0 0 "[ . 1]" 1
485 1 39 SER HB2 1 40 ARG H 3.151 . 4.392 3.553 3.384 3.721 . 0 0 "[ . 1]" 1
486 1 39 SER HB2 1 53 GLN H 3.565 . 5.154 5.185 4.971 5.270 0.116 7 0 "[ . 1]" 1
487 1 39 SER HB3 1 40 ARG H 3.235 . 4.543 4.313 4.217 4.386 . 0 0 "[ . 1]" 1
488 1 40 ARG H 1 40 ARG HA 2.860 . 3.883 2.944 2.931 2.953 . 0 0 "[ . 1]" 1
489 1 40 ARG H 1 40 ARG QB 2.510 . 3.297 2.596 2.457 2.710 . 0 0 "[ . 1]" 1
490 1 40 ARG H 1 40 ARG QD 3.647 . 5.309 4.419 3.923 4.885 . 0 0 "[ . 1]" 1
491 1 40 ARG H 1 50 LEU HA 4.305 . 6.622 5.066 4.822 5.481 . 0 0 "[ . 1]" 1
492 1 40 ARG H 1 51 ILE H 3.159 . 4.406 3.455 3.306 3.692 . 0 0 "[ . 1]" 1
493 1 40 ARG H 1 51 ILE MG 2.760 . 3.712 2.845 2.673 3.021 . 0 0 "[ . 1]" 1
494 1 40 ARG H 1 52 PHE HB3 3.273 . 4.612 2.987 2.345 3.221 . 0 0 "[ . 1]" 1
495 1 40 ARG H 1 52 PHE HD1 2.800 . 3.780 3.820 3.730 3.887 0.107 6 0 "[ . 1]" 1
496 1 40 ARG QB 1 40 ARG QD 2.415 . 3.144 2.211 2.091 2.317 . 0 0 "[ . 1]" 1
497 1 40 ARG QB 1 51 ILE HA 3.817 . 5.639 5.290 5.180 5.382 . 0 0 "[ . 1]" 1
498 1 40 ARG QD 1 51 ILE MG 2.268 . 2.911 2.574 2.367 2.755 . 0 0 "[ . 1]" 1
499 1 41 VAL H 1 41 VAL HA 2.724 . 3.652 2.942 2.935 2.948 . 0 0 "[ . 1]" 1
500 1 41 VAL H 1 41 VAL MG1 2.824 . 3.821 2.819 2.071 3.875 0.054 8 0 "[ . 1]" 1
501 1 41 VAL HA 1 42 LEU H 1.968 . 2.452 2.137 2.119 2.158 . 0 0 "[ . 1]" 1
502 1 41 VAL HA 1 50 LEU HB2 5.719 . 9.807 5.602 5.224 6.060 . 0 0 "[ . 1]" 1
503 1 42 LEU H 1 42 LEU HA 2.463 . 3.221 2.949 2.947 2.953 . 0 0 "[ . 1]" 1
504 1 42 LEU H 1 42 LEU QB 2.179 . 2.773 2.482 2.377 2.548 . 0 0 "[ . 1]" 1
505 1 42 LEU H 1 43 PHE H 4.093 . 6.188 4.214 4.122 4.294 . 0 0 "[ . 1]" 1
506 1 42 LEU H 1 43 PHE QB 5.947 . 10.368 4.801 4.512 5.354 . 0 0 "[ . 1]" 1
507 1 42 LEU H 1 48 PHE HA 5.293 . 8.795 4.956 4.791 5.237 . 0 0 "[ . 1]" 1
508 1 42 LEU H 1 49 THR HB 4.139 . 6.281 3.643 3.292 4.310 . 0 0 "[ . 1]" 1
509 1 42 LEU HA 1 42 LEU QB 2.362 . 3.060 2.395 2.350 2.457 . 0 0 "[ . 1]" 1
510 1 42 LEU HA 1 43 PHE H 2.196 . 2.799 2.170 2.147 2.200 . 0 0 "[ . 1]" 1
511 1 42 LEU QB 1 43 PHE H 4.973 . 8.065 3.630 3.401 3.904 . 0 0 "[ . 1]" 1
512 1 42 LEU QB 1 49 THR H 2.811 . 3.798 2.976 2.647 3.147 . 0 0 "[ . 1]" 1
513 1 42 LEU QB 1 49 THR HB 2.413 . 3.141 2.466 2.076 2.799 . 0 0 "[ . 1]" 1
514 1 42 LEU QB 1 49 THR MG 4.457 . 6.940 3.912 3.603 4.241 . 0 0 "[ . 1]" 1
515 1 42 LEU QB 1 51 ILE MG 5.252 . 8.700 3.802 3.185 4.136 . 0 0 "[ . 1]" 1
516 1 43 PHE H 1 43 PHE QB 3.799 . 5.603 3.003 2.613 3.125 . 0 0 "[ . 1]" 1
517 1 43 PHE H 1 44 ARG H 3.361 . 4.773 4.443 4.380 4.519 . 0 0 "[ . 1]" 1
518 1 43 PHE H 1 44 ARG HB3 3.722 . 5.454 5.208 5.017 5.417 . 0 0 "[ . 1]" 1
519 1 43 PHE HA 1 44 ARG H 2.471 . 3.234 2.228 2.178 2.264 . 0 0 "[ . 1]" 1
520 1 43 PHE HA 1 48 PHE H 5.943 . 10.357 4.694 4.525 4.913 . 0 0 "[ . 1]" 1
521 1 43 PHE HA 1 48 PHE HA 2.554 . 3.369 2.103 1.976 2.375 . 0 0 "[ . 1]" 1
522 1 43 PHE HA 1 49 THR H 3.489 . 5.011 3.340 3.158 3.515 . 0 0 "[ . 1]" 1
523 1 43 PHE QB 1 44 ARG H 2.498 . 3.278 2.737 2.572 2.971 . 0 0 "[ . 1]" 1
524 1 43 PHE QB 1 44 ARG HA 3.055 . 4.221 4.117 3.917 4.157 . 0 0 "[ . 1]" 1
525 1 43 PHE QB 1 44 ARG HB2 5.073 . 8.290 5.864 5.770 5.923 . 0 0 "[ . 1]" 1
526 1 43 PHE QB 1 44 ARG HB3 4.485 . 6.999 5.171 5.088 5.352 . 0 0 "[ . 1]" 1
527 1 43 PHE QB 1 44 ARG QG 4.912 . 7.928 4.723 4.474 4.916 . 0 0 "[ . 1]" 1
528 1 43 PHE QB 1 48 PHE HB3 2.351 . 3.042 2.354 1.932 3.085 0.043 6 0 "[ . 1]" 1
529 1 43 PHE QB 1 49 THR HA 6.547 . 11.904 6.684 6.292 7.582 . 0 0 "[ . 1]" 1
530 1 44 ARG H 1 44 ARG HA 2.435 . 3.176 2.920 2.912 2.930 . 0 0 "[ . 1]" 1
531 1 44 ARG H 1 44 ARG HB2 2.956 . 4.049 3.889 3.798 3.926 . 0 0 "[ . 1]" 1
532 1 44 ARG H 1 44 ARG HB3 2.884 . 3.923 3.198 3.080 3.413 . 0 0 "[ . 1]" 1
533 1 44 ARG H 1 44 ARG QG 2.114 . 2.673 2.484 2.293 2.629 . 0 0 "[ . 1]" 1
534 1 44 ARG H 1 45 GLU H 4.259 . 6.527 4.274 4.261 4.291 . 0 0 "[ . 1]" 1
535 1 44 ARG H 1 47 ASP H 2.941 . 4.022 3.481 3.208 3.974 . 0 0 "[ . 1]" 1
536 1 44 ARG H 1 48 PHE HA 3.126 . 4.348 3.206 3.023 3.383 . 0 0 "[ . 1]" 1
537 1 44 ARG H 1 48 PHE HB3 3.013 . 4.148 3.375 3.216 3.545 . 0 0 "[ . 1]" 1
538 1 44 ARG HA 1 44 ARG HB2 2.657 . 3.540 2.406 2.344 2.539 . 0 0 "[ . 1]" 1
539 1 44 ARG HA 1 44 ARG QG 3.595 . 5.211 3.343 3.331 3.362 . 0 0 "[ . 1]" 1
540 1 44 ARG HA 1 45 GLU H 2.239 . 2.866 2.746 2.705 2.790 . 0 0 "[ . 1]" 1
541 1 44 ARG HA 1 45 GLU HB3 5.416 . 9.083 5.106 4.858 5.288 . 0 0 "[ . 1]" 1
542 1 44 ARG HB2 1 45 GLU H 1.981 . 2.472 1.964 1.777 2.121 . 0 0 "[ . 1]" 1
543 1 44 ARG QG 1 45 GLU H 3.558 . 5.141 2.588 2.333 3.148 . 0 0 "[ . 1]" 1
544 1 44 ARG QG 1 45 GLU HG2 2.840 . 3.848 2.497 2.145 3.747 . 0 0 "[ . 1]" 1
545 1 44 ARG QG 1 47 ASP H 3.028 . 4.174 2.246 2.064 2.555 . 0 0 "[ . 1]" 1
546 1 44 ARG QG 1 47 ASP QB 3.383 . 4.485 3.757 3.682 3.860 . 0 0 "[ . 1]" 1
547 1 45 GLU H 1 45 GLU HA 2.800 . 3.780 2.680 2.624 2.768 . 0 0 "[ . 1]" 1
548 1 45 GLU H 1 45 GLU HB3 2.167 . 2.754 2.611 2.506 2.763 0.009 4 0 "[ . 1]" 1
549 1 45 GLU H 1 45 GLU HG2 2.526 . 3.324 2.147 1.966 2.406 . 0 0 "[ . 1]" 1
550 1 45 GLU H 1 46 GLN HA 4.534 . 7.103 5.569 5.440 5.628 . 0 0 "[ . 1]" 1
551 1 45 GLU H 1 46 GLN HG2 8.022 . 16.066 5.615 5.093 6.436 . 0 0 "[ . 1]" 1
552 1 45 GLU H 1 47 ASP H 3.495 . 5.022 4.278 4.114 4.443 . 0 0 "[ . 1]" 1
553 1 45 GLU HA 1 45 GLU HB3 1.827 . 2.244 2.323 2.281 2.368 0.124 7 0 "[ . 1]" 1
554 1 45 GLU HA 1 45 GLU HG2 3.409 . 4.862 3.629 3.585 3.718 . 0 0 "[ . 1]" 1
555 1 45 GLU HA 1 46 GLN H 3.123 . 4.342 3.610 3.581 3.636 . 0 0 "[ . 1]" 1
556 1 46 GLN H 1 46 GLN HA 2.516 . 3.307 2.945 2.937 2.955 . 0 0 "[ . 1]" 1
557 1 46 GLN H 1 46 GLN QB 3.482 . 4.997 2.882 2.581 3.172 . 0 0 "[ . 1]" 1
558 1 46 GLN H 1 46 GLN HG2 2.762 . 3.715 3.000 2.245 3.950 0.235 5 0 "[ . 1]" 1
559 1 46 GLN H 1 47 ASP H 2.374 . 3.079 2.079 2.002 2.270 . 0 0 "[ . 1]" 1
560 1 46 GLN HA 1 47 ASP H 2.860 . 3.882 3.364 3.138 3.456 . 0 0 "[ . 1]" 1
561 1 46 GLN QB 1 46 GLN HE21 2.554 . 3.369 2.452 1.727 2.845 0.012 9 0 "[ . 1]" 1
562 1 46 GLN QB 1 46 GLN HE22 3.093 . 4.288 3.460 3.173 3.613 . 0 0 "[ . 1]" 1
563 1 46 GLN QB 1 47 ASP H 3.146 . 4.384 3.527 3.141 3.994 . 0 0 "[ . 1]" 1
564 1 46 GLN QB 1 78 LEU H 3.417 . 4.877 3.568 2.978 3.954 . 0 0 "[ . 1]" 1
565 1 46 GLN QB 1 82 ILE H 3.203 . 4.486 3.828 3.052 4.455 . 0 0 "[ . 1]" 1
566 1 46 GLN HE21 1 81 LEU H 1.600 . 1.920 2.045 1.990 2.137 0.217 1 0 "[ . 1]" 1
567 1 47 ASP H 1 47 ASP HA 2.397 . 3.115 2.914 2.869 2.943 . 0 0 "[ . 1]" 1
568 1 47 ASP H 1 47 ASP QB 3.138 . 4.369 3.135 2.870 3.300 . 0 0 "[ . 1]" 1
569 1 47 ASP H 1 48 PHE H 4.359 . 6.734 4.423 4.378 4.497 . 0 0 "[ . 1]" 1
570 1 47 ASP H 1 77 LYS HG2 5.351 . 8.930 5.281 4.668 6.136 . 0 0 "[ . 1]" 1
571 1 47 ASP HA 1 47 ASP QB 2.657 . 3.455 2.162 2.144 2.174 . 0 0 "[ . 1]" 1
572 1 47 ASP HA 1 77 LYS HA 2.818 . 3.810 2.637 2.323 2.956 . 0 0 "[ . 1]" 1
573 1 47 ASP HA 1 78 LEU H 3.130 . 4.355 2.680 2.284 3.141 . 0 0 "[ . 1]" 1
574 1 47 ASP QB 1 48 PHE H 2.357 . 3.052 2.298 2.144 2.447 . 0 0 "[ . 1]" 1
575 1 47 ASP QB 1 76 VAL MG1 4.515 . 7.063 4.215 3.822 4.632 . 0 0 "[ . 1]" 1
576 1 47 ASP QB 1 77 LYS H 3.866 . 5.734 3.997 3.831 4.215 . 0 0 "[ . 1]" 1
577 1 47 ASP QB 1 77 LYS HA 2.381 . 3.090 1.820 1.671 2.231 0.083 9 0 "[ . 1]" 1
578 1 47 ASP QB 1 77 LYS HG2 2.524 . 3.320 1.984 1.649 2.512 0.079 4 0 "[ . 1]" 1
579 1 47 ASP QB 1 78 LEU H 3.048 . 4.209 2.931 2.569 3.324 . 0 0 "[ . 1]" 1
580 1 48 PHE H 1 48 PHE HB3 2.650 . 3.528 3.524 3.476 3.557 0.029 8 0 "[ . 1]" 1
581 1 48 PHE H 1 48 PHE HD1 3.146 . 4.384 3.998 3.563 4.245 . 0 0 "[ . 1]" 1
582 1 48 PHE H 1 76 VAL HB 3.327 . 4.711 3.944 3.491 4.558 . 0 0 "[ . 1]" 1
583 1 48 PHE H 1 76 VAL MG1 3.907 . 5.815 3.949 2.971 4.396 . 0 0 "[ . 1]" 1
584 1 48 PHE H 1 77 LYS HA 3.408 . 4.860 3.586 3.287 3.724 . 0 0 "[ . 1]" 1
585 1 48 PHE H 1 77 LYS QB 4.643 . 7.338 5.414 5.179 5.508 . 0 0 "[ . 1]" 1
586 1 48 PHE HA 1 48 PHE HB3 1.998 . 2.497 2.359 2.337 2.383 . 0 0 "[ . 1]" 1
587 1 48 PHE HA 1 48 PHE HD1 4.075 . 6.150 4.263 4.095 4.312 . 0 0 "[ . 1]" 1
588 1 48 PHE HA 1 49 THR H 1.775 . 2.169 2.217 2.186 2.246 0.077 10 0 "[ . 1]" 1
589 1 48 PHE HB3 1 48 PHE HD1 3.635 . 5.287 3.680 3.646 3.757 . 0 0 "[ . 1]" 1
590 1 48 PHE HB3 1 49 THR H 2.788 . 3.760 3.779 3.648 3.815 0.055 1 0 "[ . 1]" 1
591 1 48 PHE HB3 1 76 VAL HA 5.087 . 8.321 8.036 7.845 8.250 . 0 0 "[ . 1]" 1
592 1 48 PHE HB3 1 77 LYS H 7.040 . 13.236 8.429 8.202 8.633 . 0 0 "[ . 1]" 1
593 1 48 PHE HD1 1 49 THR H 2.998 . 4.122 4.098 3.929 4.184 0.062 3 0 "[ . 1]" 1
594 1 48 PHE HD1 1 50 LEU H 3.126 . 4.348 4.163 3.910 4.391 0.043 3 0 "[ . 1]" 1
595 1 48 PHE HD1 1 76 VAL H 3.898 . 5.797 3.696 3.177 4.086 . 0 0 "[ . 1]" 1
596 1 48 PHE HD1 1 76 VAL HB 2.707 . 3.623 3.619 3.250 3.739 0.116 8 0 "[ . 1]" 1
597 1 49 THR H 1 49 THR HB 2.768 . 3.726 2.863 2.653 2.995 . 0 0 "[ . 1]" 1
598 1 49 THR H 1 49 THR MG 3.820 . 5.644 3.909 3.859 3.974 . 0 0 "[ . 1]" 1
599 1 49 THR H 1 74 TRP HD1 4.523 . 7.081 6.931 6.383 7.224 0.143 9 0 "[ . 1]" 1
600 1 49 THR H 1 76 VAL HB 6.459 . 11.674 6.568 6.132 7.071 . 0 0 "[ . 1]" 1
601 1 49 THR HA 1 49 THR HB 2.796 . 3.773 3.004 2.994 3.016 . 0 0 "[ . 1]" 1
602 1 49 THR HA 1 49 THR MG 2.100 . 2.651 2.272 2.252 2.283 . 0 0 "[ . 1]" 1
603 1 49 THR HB 1 49 THR MG 2.095 . 2.643 2.125 2.098 2.141 . 0 0 "[ . 1]" 1
604 1 49 THR MG 1 50 LEU H 2.665 . 3.553 2.623 2.501 2.827 . 0 0 "[ . 1]" 1
605 1 49 THR MG 1 73 ARG HA 3.064 . 4.238 3.943 3.690 4.134 . 0 0 "[ . 1]" 1
606 1 49 THR MG 1 73 ARG QB 2.323 . 2.997 2.554 2.150 2.768 . 0 0 "[ . 1]" 1
607 1 49 THR MG 1 74 TRP H 2.552 . 3.366 3.267 3.213 3.316 . 0 0 "[ . 1]" 1
608 1 49 THR MG 1 74 TRP HD1 4.129 . 6.260 5.116 4.824 5.485 . 0 0 "[ . 1]" 1
609 1 49 THR MG 1 75 GLN HB2 2.412 . 3.139 2.029 1.735 2.977 . 0 0 "[ . 1]" 1
610 1 49 THR MG 1 75 GLN HG2 2.749 . 3.694 2.402 2.089 3.406 . 0 0 "[ . 1]" 1
611 1 49 THR MG 1 76 VAL H 3.911 . 5.823 4.457 4.213 4.935 . 0 0 "[ . 1]" 1
612 1 50 LEU H 1 50 LEU HB2 2.798 . 3.776 2.439 2.348 2.556 . 0 0 "[ . 1]" 1
613 1 50 LEU H 1 51 ILE H 3.004 . 4.132 4.320 4.274 4.362 0.230 10 0 "[ . 1]" 1
614 1 50 LEU H 1 51 ILE HB 3.988 . 5.976 5.279 5.064 5.425 . 0 0 "[ . 1]" 1
615 1 50 LEU H 1 73 ARG HA 3.418 . 4.878 4.570 4.400 4.835 . 0 0 "[ . 1]" 1
616 1 50 LEU H 1 74 TRP QB 3.583 . 5.188 3.859 3.220 4.698 . 0 0 "[ . 1]" 1
617 1 50 LEU H 1 75 GLN HB2 3.302 . 4.665 4.750 4.711 4.809 0.144 8 0 "[ . 1]" 1
618 1 50 LEU HB2 1 75 GLN HB2 7.550 . 14.676 6.758 6.584 6.885 . 0 0 "[ . 1]" 1
619 1 51 ILE H 1 51 ILE HA 2.660 . 3.544 2.944 2.941 2.951 . 0 0 "[ . 1]" 1
620 1 51 ILE H 1 51 ILE HB 2.578 . 3.409 3.178 3.086 3.257 . 0 0 "[ . 1]" 1
621 1 51 ILE H 1 51 ILE MG 2.308 . 2.974 2.010 1.937 2.092 . 0 0 "[ . 1]" 1
622 1 51 ILE H 1 74 TRP HD1 5.898 . 10.247 7.794 7.254 8.237 . 0 0 "[ . 1]" 1
623 1 51 ILE HA 1 51 ILE HB 2.456 . 3.210 2.393 2.370 2.422 . 0 0 "[ . 1]" 1
624 1 51 ILE HA 1 51 ILE MG 3.281 . 4.627 3.215 3.203 3.227 . 0 0 "[ . 1]" 1
625 1 51 ILE HA 1 52 PHE H 2.396 . 3.114 2.138 2.107 2.218 . 0 0 "[ . 1]" 1
626 1 51 ILE HA 1 71 THR MG 3.852 . 5.706 3.862 3.330 4.446 . 0 0 "[ . 1]" 1
627 1 51 ILE HB 1 51 ILE MG 3.099 . 4.300 2.123 2.117 2.128 . 0 0 "[ . 1]" 1
628 1 51 ILE MG 1 52 PHE H 4.142 . 6.287 4.181 4.119 4.237 . 0 0 "[ . 1]" 1
629 1 51 ILE MG 1 52 PHE HB3 5.180 . 8.535 4.723 4.433 4.890 . 0 0 "[ . 1]" 1
630 1 51 ILE MG 1 53 GLN H 4.589 . 7.221 6.284 6.166 6.404 . 0 0 "[ . 1]" 1
631 1 51 ILE MG 1 73 ARG H 5.368 . 8.970 6.829 6.164 7.335 . 0 0 "[ . 1]" 1
632 1 51 ILE MG 1 74 TRP H 5.554 . 9.410 5.542 5.347 5.860 . 0 0 "[ . 1]" 1
633 1 52 PHE H 1 52 PHE HA 2.255 . 2.891 2.886 2.876 2.909 0.018 6 0 "[ . 1]" 1
634 1 52 PHE H 1 52 PHE HB3 3.528 . 5.084 3.621 3.566 3.721 . 0 0 "[ . 1]" 1
635 1 52 PHE H 1 52 PHE HD1 4.796 . 7.672 3.868 3.405 4.988 . 0 0 "[ . 1]" 1
636 1 52 PHE H 1 53 GLN QB 5.556 . 9.415 5.841 5.733 5.903 . 0 0 "[ . 1]" 1
637 1 52 PHE H 1 72 PHE HB2 3.456 . 4.949 4.157 3.705 5.097 0.148 1 0 "[ . 1]" 1
638 1 52 PHE H 1 72 PHE HD1 6.770 . 12.499 5.878 5.170 6.309 . 0 0 "[ . 1]" 1
639 1 52 PHE H 1 73 ARG HA 2.514 . 3.304 3.398 3.367 3.470 0.166 6 0 "[ . 1]" 1
640 1 52 PHE H 1 73 ARG QB 3.537 . 5.101 4.080 3.645 4.341 . 0 0 "[ . 1]" 1
641 1 52 PHE HA 1 52 PHE HB3 2.014 . 2.521 2.356 2.326 2.391 . 0 0 "[ . 1]" 1
642 1 52 PHE HA 1 52 PHE HD1 4.129 . 6.260 4.195 4.069 4.597 . 0 0 "[ . 1]" 1
643 1 52 PHE HA 1 53 GLN H 2.475 . 3.241 2.430 2.333 2.462 . 0 0 "[ . 1]" 1
644 1 52 PHE HA 1 53 GLN QB 3.418 . 4.878 4.392 4.198 4.516 . 0 0 "[ . 1]" 1
645 1 52 PHE HB3 1 53 GLN H 3.449 . 4.936 3.490 3.360 3.679 . 0 0 "[ . 1]" 1
646 1 52 PHE HB3 1 72 PHE HD1 6.099 . 10.749 8.261 7.668 8.736 . 0 0 "[ . 1]" 1
647 1 53 GLN H 1 53 GLN QB 3.241 . 4.554 2.474 2.432 2.542 . 0 0 "[ . 1]" 1
648 1 53 GLN H 1 53 GLN HE21 2.909 . 3.967 3.954 3.769 4.080 0.113 3 0 "[ . 1]" 1
649 1 53 GLN H 1 53 GLN HG3 5.183 . 8.540 3.012 2.753 3.334 . 0 0 "[ . 1]" 1
650 1 53 GLN H 1 54 THR H 4.816 . 7.716 4.474 4.428 4.501 . 0 0 "[ . 1]" 1
651 1 53 GLN HA 1 53 GLN QB . . 3.825 2.404 2.363 2.448 . 0 0 "[ . 1]" 1
652 1 53 GLN HA 1 53 GLN HG3 2.757 . 3.707 2.956 2.778 3.133 . 0 0 "[ . 1]" 1
653 1 53 GLN HA 1 54 THR HA 3.184 . 4.451 4.470 4.453 4.493 0.042 8 0 "[ . 1]" 1
654 1 53 GLN HA 1 54 THR HB 3.152 . 4.394 4.158 3.979 4.273 . 0 0 "[ . 1]" 1
655 1 53 GLN HA 1 54 THR MG 5.460 . 9.187 4.329 3.788 5.327 . 0 0 "[ . 1]" 1
656 1 53 GLN HA 1 70 THR HB 3.670 . 5.354 5.320 5.034 5.496 0.142 8 0 "[ . 1]" 1
657 1 53 GLN HA 1 70 THR MG 4.644 . 7.339 5.102 3.668 5.654 . 0 0 "[ . 1]" 1
658 1 53 GLN HA 1 71 THR MG 2.997 . 4.120 3.576 3.268 3.987 . 0 0 "[ . 1]" 1
659 1 53 GLN QB 1 53 GLN HE21 1.580 . 1.892 1.750 1.648 1.813 . 0 0 "[ . 1]" 1
660 1 53 GLN QB 1 53 GLN HE22 3.887 . 5.776 3.186 3.136 3.237 . 0 0 "[ . 1]" 1
661 1 53 GLN QB 1 53 GLN HG3 3.288 . 4.639 2.359 2.326 2.403 . 0 0 "[ . 1]" 1
662 1 53 GLN QB 1 54 THR H 2.868 . 3.896 2.648 2.595 2.738 . 0 0 "[ . 1]" 1
663 1 53 GLN HE21 1 53 GLN HG3 2.669 . 3.560 2.893 2.838 2.928 . 0 0 "[ . 1]" 1
664 1 53 GLN HE21 1 54 THR H 4.177 . 6.357 5.301 5.120 5.556 . 0 0 "[ . 1]" 1
665 1 53 GLN HE21 1 54 THR HB 5.770 . 9.932 7.580 7.246 7.756 . 0 0 "[ . 1]" 1
666 1 53 GLN HE21 1 71 THR MG 3.699 . 5.409 4.834 4.120 4.982 . 0 0 "[ . 1]" 1
667 1 53 GLN HG3 1 71 THR HB 3.408 . 4.859 4.671 4.286 4.983 0.124 8 0 "[ . 1]" 1
668 1 53 GLN HG3 1 71 THR MG 2.717 . 3.640 2.462 2.256 2.599 . 0 0 "[ . 1]" 1
669 1 53 GLN HG3 1 72 PHE H 4.309 . 6.630 4.030 3.519 4.317 . 0 0 "[ . 1]" 1
670 1 54 THR H 1 54 THR HB 3.328 . 4.712 3.009 2.527 3.239 . 0 0 "[ . 1]" 1
671 1 54 THR H 1 54 THR MG 2.773 . 3.734 2.865 2.413 3.721 . 0 0 "[ . 1]" 1
672 1 54 THR HA 1 54 THR MG 3.426 . 4.893 3.018 2.588 3.193 . 0 0 "[ . 1]" 1
673 1 54 THR HA 1 55 ARG H 2.495 . 3.273 2.500 2.386 2.572 . 0 0 "[ . 1]" 1
674 1 54 THR HA 1 55 ARG HB3 4.176 . 6.355 4.487 4.245 4.733 . 0 0 "[ . 1]" 1
675 1 54 THR HA 1 56 ASP H 5.479 . 9.231 5.902 5.641 6.107 . 0 0 "[ . 1]" 1
676 1 54 THR HB 1 54 THR MG 2.448 . 3.197 2.129 2.113 2.138 . 0 0 "[ . 1]" 1
677 1 54 THR HB 1 55 ARG H 2.897 . 3.946 3.888 3.751 4.054 0.108 7 0 "[ . 1]" 1
678 1 54 THR HB 1 56 ASP H 5.946 . 10.366 6.027 5.006 6.548 . 0 0 "[ . 1]" 1
679 1 54 THR HB 1 56 ASP QB 5.738 . 9.854 5.427 3.757 6.055 . 0 0 "[ . 1]" 1
680 1 54 THR MG 1 55 ARG H 2.133 . 2.702 2.595 2.161 2.808 0.106 3 0 "[ . 1]" 1
681 1 54 THR MG 1 55 ARG HA 2.731 . 3.663 3.241 3.092 3.357 . 0 0 "[ . 1]" 1
682 1 54 THR MG 1 55 ARG HB2 4.104 . 6.210 5.005 4.748 5.153 . 0 0 "[ . 1]" 1
683 1 54 THR MG 1 55 ARG HD2 5.456 . 9.177 4.847 3.421 6.235 . 0 0 "[ . 1]" 1
684 1 54 THR MG 1 55 ARG HG2 5.079 . 8.303 4.560 3.729 5.100 . 0 0 "[ . 1]" 1
685 1 54 THR MG 1 56 ASP H 2.721 . 3.646 3.341 3.148 3.533 . 0 0 "[ . 1]" 1
686 1 54 THR MG 1 56 ASP QB 2.688 . 3.591 2.976 2.003 3.250 . 0 0 "[ . 1]" 1
687 1 54 THR MG 1 59 PHE H 6.365 . 11.429 6.485 5.717 6.840 . 0 0 "[ . 1]" 1
688 1 54 THR MG 1 59 PHE HA 5.862 . 10.157 7.901 7.535 8.263 . 0 0 "[ . 1]" 1
689 1 55 ARG H 1 55 ARG HB2 3.578 . 5.179 3.869 3.806 3.935 . 0 0 "[ . 1]" 1
690 1 55 ARG H 1 55 ARG HB3 2.511 . 3.299 3.153 2.955 3.321 0.022 3 0 "[ . 1]" 1
691 1 55 ARG H 1 55 ARG HD2 2.788 . 3.760 2.722 1.723 4.182 0.422 9 0 "[ . 1]" 1
692 1 55 ARG H 1 55 ARG HG2 2.370 . 3.072 2.821 2.407 3.109 0.037 8 0 "[ . 1]" 1
693 1 55 ARG H 1 56 ASP H 2.873 . 3.905 4.140 4.028 4.204 0.299 8 0 "[ . 1]" 1
694 1 55 ARG H 1 56 ASP QB 3.798 . 5.601 4.751 4.451 5.409 . 0 0 "[ . 1]" 1
695 1 55 ARG H 1 58 ASN HD22 6.703 . 12.318 8.630 7.829 9.057 . 0 0 "[ . 1]" 1
696 1 55 ARG HA 1 55 ARG HB2 2.349 . 3.038 2.416 2.338 2.448 . 0 0 "[ . 1]" 1
697 1 55 ARG HA 1 55 ARG HB3 2.134 . 2.703 2.476 2.439 2.558 . 0 0 "[ . 1]" 1
698 1 55 ARG HA 1 55 ARG HD2 4.260 . 6.528 4.224 3.891 4.723 . 0 0 "[ . 1]" 1
699 1 55 ARG HA 1 55 ARG HG2 3.491 . 5.014 3.649 3.578 3.712 . 0 0 "[ . 1]" 1
700 1 55 ARG HB2 1 55 ARG HD2 3.135 . 4.363 3.598 3.322 3.802 . 0 0 "[ . 1]" 1
701 1 55 ARG HB2 1 56 ASP H 2.758 . 3.709 3.540 3.488 3.596 . 0 0 "[ . 1]" 1
702 1 55 ARG HB2 1 56 ASP HA 4.456 . 6.938 4.744 4.457 5.124 . 0 0 "[ . 1]" 1
703 1 55 ARG HB2 1 57 GLY H 3.595 . 5.211 5.106 4.591 5.286 0.075 3 0 "[ . 1]" 1
704 1 55 ARG HB3 1 55 ARG HD2 2.477 . 3.244 2.595 2.211 2.987 . 0 0 "[ . 1]" 1
705 1 55 ARG HD2 1 55 ARG HG2 2.461 . 3.218 2.634 2.417 3.018 . 0 0 "[ . 1]" 1
706 1 55 ARG HG2 1 56 ASP H 3.279 . 4.623 4.458 4.260 4.542 . 0 0 "[ . 1]" 1
707 1 55 ARG HG2 1 56 ASP HA 3.063 . 4.236 4.240 4.070 4.353 0.117 2 0 "[ . 1]" 1
708 1 55 ARG HG2 1 57 GLY HA2 4.829 . 7.744 6.263 5.121 7.038 . 0 0 "[ . 1]" 1
709 1 56 ASP H 1 56 ASP HA 2.675 . 3.570 2.928 2.890 2.947 . 0 0 "[ . 1]" 1
710 1 56 ASP H 1 56 ASP QB 2.427 . 2.822 2.650 2.480 2.908 0.086 2 0 "[ . 1]" 1
711 1 56 ASP H 1 57 GLY H 3.054 . 4.220 4.113 3.925 4.245 0.025 3 0 "[ . 1]" 1
712 1 56 ASP H 1 60 LEU H 3.454 . 4.946 4.038 3.670 4.488 . 0 0 "[ . 1]" 1
713 1 56 ASP HA 1 56 ASP QB 1.948 . 2.422 2.313 2.156 2.402 . 0 0 "[ . 1]" 1
714 1 56 ASP HA 1 57 GLY H 2.178 . 2.771 2.146 2.073 2.242 . 0 0 "[ . 1]" 1
715 1 56 ASP HA 1 57 GLY HA2 3.755 . 5.517 4.362 4.238 4.494 . 0 0 "[ . 1]" 1
716 1 56 ASP HA 1 58 ASN H 2.899 . 3.949 3.933 3.597 4.180 0.231 10 0 "[ . 1]" 1
717 1 56 ASP QB 1 57 GLY H 3.130 . 4.355 3.784 3.601 3.945 . 0 0 "[ . 1]" 1
718 1 57 GLY H 1 57 GLY HA2 2.431 . 3.170 2.778 2.763 2.794 . 0 0 "[ . 1]" 1
719 1 57 GLY H 1 58 ASN H 2.702 . 3.615 2.806 2.714 2.875 . 0 0 "[ . 1]" 1
720 1 57 GLY H 1 59 PHE H 3.954 . 5.908 4.498 4.343 4.839 . 0 0 "[ . 1]" 1
721 1 57 GLY H 1 60 LEU HB3 4.005 . 6.010 5.742 5.420 6.102 0.092 4 0 "[ . 1]" 1
722 1 57 GLY H 1 61 ARG HB3 6.232 . 11.087 6.450 6.208 6.797 . 0 0 "[ . 1]" 1
723 1 57 GLY HA2 1 58 ASN H 2.621 . 3.480 3.517 3.502 3.538 0.058 8 0 "[ . 1]" 1
724 1 57 GLY HA2 1 58 ASN HA 4.278 . 6.566 4.766 4.686 4.820 . 0 0 "[ . 1]" 1
725 1 57 GLY HA2 1 60 LEU H 5.106 . 8.365 3.718 3.388 3.837 . 0 0 "[ . 1]" 1
726 1 57 GLY HA2 1 60 LEU HB3 3.693 . 5.398 4.308 3.812 4.473 . 0 0 "[ . 1]" 1
727 1 57 GLY HA2 1 60 LEU HG 2.608 . 3.458 2.096 1.882 3.301 . 0 0 "[ . 1]" 1
728 1 58 ASN H 1 58 ASN HA 2.534 . 3.337 2.833 2.808 2.855 . 0 0 "[ . 1]" 1
729 1 58 ASN H 1 58 ASN HB2 2.356 . 3.050 3.223 2.892 3.656 0.606 10 4 "[ - * * +]" 1
730 1 58 ASN H 1 58 ASN HB3 3.032 . 4.181 3.075 2.341 3.527 . 0 0 "[ . 1]" 1
731 1 58 ASN H 1 58 ASN HD21 3.123 . 4.342 1.812 1.441 2.113 0.463 10 0 "[ . 1]" 1
732 1 58 ASN H 1 58 ASN HD22 3.257 . 4.583 2.811 2.381 3.534 . 0 0 "[ . 1]" 1
733 1 58 ASN H 1 59 PHE H 2.517 . 3.309 2.696 2.622 2.795 . 0 0 "[ . 1]" 1
734 1 58 ASN H 1 60 LEU H 3.004 . 4.132 4.126 3.956 4.188 0.056 10 0 "[ . 1]" 1
735 1 58 ASN H 1 61 ARG HB2 5.832 . 10.084 6.861 6.359 7.189 . 0 0 "[ . 1]" 1
736 1 58 ASN H 1 61 ARG HB3 4.789 . 7.655 5.249 4.728 5.679 . 0 0 "[ . 1]" 1
737 1 58 ASN HA 1 58 ASN HB2 2.278 . 2.927 2.733 2.334 2.987 0.060 4 0 "[ . 1]" 1
738 1 58 ASN HA 1 58 ASN HB3 2.001 . 2.502 2.394 2.270 2.612 0.110 3 0 "[ . 1]" 1
739 1 58 ASN HA 1 59 PHE H 2.853 . 3.870 3.552 3.532 3.572 . 0 0 "[ . 1]" 1
740 1 58 ASN HA 1 61 ARG H 2.992 . 4.111 4.048 3.733 4.176 0.065 5 0 "[ . 1]" 1
741 1 58 ASN HA 1 61 ARG HG2 2.632 . 3.498 3.116 2.896 3.555 0.057 8 0 "[ . 1]" 1
742 1 58 ASN HA 1 62 LEU HB2 4.841 . 7.770 6.456 6.321 6.679 . 0 0 "[ . 1]" 1
743 1 58 ASN HA 1 62 LEU HG 3.295 . 4.652 4.363 4.234 4.540 . 0 0 "[ . 1]" 1
744 1 58 ASN HB2 1 58 ASN HD21 2.886 . 3.927 2.787 2.263 3.545 . 0 0 "[ . 1]" 1
745 1 58 ASN HB2 1 58 ASN HD22 3.044 . 4.203 3.732 3.487 4.085 . 0 0 "[ . 1]" 1
746 1 58 ASN HB2 1 59 PHE H 2.822 . 3.817 3.028 2.423 3.961 0.144 8 0 "[ . 1]" 1
747 1 58 ASN HB2 1 59 PHE HA 5.321 . 8.860 4.186 3.783 4.844 . 0 0 "[ . 1]" 1
748 1 58 ASN HB2 1 59 PHE HB3 4.752 . 7.575 5.748 4.600 6.773 . 0 0 "[ . 1]" 1
749 1 58 ASN HB3 1 58 ASN HD21 2.967 . 4.067 3.165 2.389 3.501 . 0 0 "[ . 1]" 1
750 1 58 ASN HB3 1 59 PHE H 3.014 . 4.150 3.841 3.649 3.963 . 0 0 "[ . 1]" 1
751 1 58 ASN HB3 1 59 PHE HA 5.421 . 9.094 5.158 4.796 5.606 . 0 0 "[ . 1]" 1
752 1 58 ASN HB3 1 59 PHE HB3 4.798 . 7.675 6.789 6.158 7.174 . 0 0 "[ . 1]" 1
753 1 58 ASN HB3 1 61 ARG HG2 5.044 . 8.225 5.139 4.757 5.893 . 0 0 "[ . 1]" 1
754 1 58 ASN HD21 1 59 PHE H 3.818 . 5.640 2.340 1.799 2.754 0.197 10 0 "[ . 1]" 1
755 1 58 ASN HD21 1 60 LEU H 3.242 . 4.556 4.482 3.853 4.813 0.257 9 0 "[ . 1]" 1
756 1 58 ASN HD21 1 61 ARG HB2 5.156 . 8.479 8.241 7.235 8.579 0.100 4 0 "[ . 1]" 1
757 1 59 PHE H 1 59 PHE HA 2.570 . 3.395 2.853 2.845 2.862 . 0 0 "[ . 1]" 1
758 1 59 PHE H 1 59 PHE HB2 2.302 . 2.965 2.365 2.224 2.600 . 0 0 "[ . 1]" 1
759 1 59 PHE H 1 59 PHE HB3 2.611 . 3.463 3.339 2.466 3.580 0.117 5 0 "[ . 1]" 1
760 1 59 PHE H 1 59 PHE QD 2.987 . 4.102 2.996 2.137 4.187 0.085 10 0 "[ . 1]" 1
761 1 59 PHE H 1 60 LEU H 2.663 . 3.550 2.539 2.496 2.594 . 0 0 "[ . 1]" 1
762 1 59 PHE H 1 60 LEU HA 5.320 . 8.858 5.145 5.096 5.181 . 0 0 "[ . 1]" 1
763 1 59 PHE H 1 60 LEU HB3 4.284 . 6.578 5.138 4.928 6.061 . 0 0 "[ . 1]" 1
764 1 59 PHE H 1 60 LEU HG 2.962 . 4.059 4.080 3.975 4.140 0.081 5 0 "[ . 1]" 1
765 1 59 PHE H 1 61 ARG H 3.247 . 4.565 4.080 3.856 4.267 . 0 0 "[ . 1]" 1
766 1 59 PHE H 1 61 ARG HD2 3.945 . 5.890 5.580 5.195 6.886 0.996 1 1 "[+ . 1]" 1
767 1 59 PHE H 1 62 LEU HG 3.502 . 5.035 4.924 4.778 5.045 0.010 5 0 "[ . 1]" 1
768 1 59 PHE HA 1 59 PHE HB2 2.305 . 2.969 2.893 2.457 3.017 0.048 8 0 "[ . 1]" 1
769 1 59 PHE HA 1 59 PHE HB3 2.458 . 3.213 2.658 2.500 3.024 . 0 0 "[ . 1]" 1
770 1 59 PHE HA 1 59 PHE QD 2.254 . 2.889 2.512 2.121 2.869 . 0 0 "[ . 1]" 1
771 1 59 PHE HA 1 60 LEU H 2.839 . 3.847 3.543 3.499 3.568 . 0 0 "[ . 1]" 1
772 1 59 PHE HA 1 60 LEU HG 5.295 . 8.799 5.571 5.508 5.613 . 0 0 "[ . 1]" 1
773 1 59 PHE HA 1 61 ARG H 3.812 . 5.628 4.344 4.179 4.514 . 0 0 "[ . 1]" 1
774 1 59 PHE HA 1 61 ARG HG2 5.939 . 10.348 4.248 3.991 4.538 . 0 0 "[ . 1]" 1
775 1 59 PHE HA 1 62 LEU H 3.812 . 5.628 3.589 3.431 3.721 . 0 0 "[ . 1]" 1
776 1 59 PHE HA 1 62 LEU HG 2.360 . 3.056 3.099 2.982 3.151 0.095 2 0 "[ . 1]" 1
777 1 59 PHE HB2 1 59 PHE QD 3.071 . 4.250 2.491 2.268 2.695 . 0 0 "[ . 1]" 1
778 1 59 PHE HB2 1 60 LEU H 2.556 . 3.373 2.906 2.508 3.810 0.437 10 0 "[ . 1]" 1
779 1 59 PHE HB2 1 61 ARG H 3.597 . 5.215 5.221 4.827 5.755 0.540 6 1 "[ .+ 1]" 1
780 1 59 PHE HB3 1 59 PHE QD 2.768 . 3.726 2.435 2.276 2.696 . 0 0 "[ . 1]" 1
781 1 59 PHE HB3 1 60 LEU H 2.818 . 3.810 3.257 2.450 3.559 . 0 0 "[ . 1]" 1
782 1 59 PHE QD 1 60 LEU H 3.602 . 5.224 4.195 3.524 4.493 . 0 0 "[ . 1]" 1
783 1 59 PHE QD 1 60 LEU HG 4.859 . 7.810 5.829 5.285 6.204 . 0 0 "[ . 1]" 1
784 1 60 LEU H 1 60 LEU HA 2.747 . 3.690 2.826 2.803 2.846 . 0 0 "[ . 1]" 1
785 1 60 LEU H 1 60 LEU HB3 2.886 . 3.927 2.732 2.572 3.603 . 0 0 "[ . 1]" 1
786 1 60 LEU H 1 60 LEU HG 1.935 . 2.403 2.259 2.175 2.348 . 0 0 "[ . 1]" 1
787 1 60 LEU H 1 61 ARG H 3.038 . 4.192 2.693 2.612 2.793 . 0 0 "[ . 1]" 1
788 1 60 LEU H 1 61 ARG HA 4.104 . 6.210 5.276 5.210 5.331 . 0 0 "[ . 1]" 1
789 1 60 LEU H 1 62 LEU HB2 5.141 . 8.445 5.447 5.374 5.539 . 0 0 "[ . 1]" 1
790 1 60 LEU H 1 62 LEU HG 3.998 . 5.996 5.180 4.915 5.347 . 0 0 "[ . 1]" 1
791 1 60 LEU HA 1 60 LEU HB3 2.098 . 2.648 2.423 2.395 2.479 . 0 0 "[ . 1]" 1
792 1 60 LEU HA 1 61 ARG HB3 5.321 . 8.860 5.649 5.468 5.762 . 0 0 "[ . 1]" 1
793 1 60 LEU HB3 1 60 LEU HG 2.374 . 3.079 2.643 2.594 3.014 . 0 0 "[ . 1]" 1
794 1 60 LEU HG 1 62 LEU HG 4.504 . 7.040 6.521 6.342 7.137 0.097 4 0 "[ . 1]" 1
795 1 61 ARG H 1 61 ARG HA 2.463 . 3.221 2.810 2.788 2.832 . 0 0 "[ . 1]" 1
796 1 61 ARG H 1 61 ARG HB2 2.553 . 3.367 3.493 3.342 3.551 0.184 7 0 "[ . 1]" 1
797 1 61 ARG H 1 61 ARG HB3 2.397 . 3.115 2.259 2.037 2.375 . 0 0 "[ . 1]" 1
798 1 61 ARG H 1 61 ARG HD2 3.404 . 4.853 3.951 3.684 4.687 . 0 0 "[ . 1]" 1
799 1 61 ARG H 1 61 ARG HG2 2.554 . 3.369 2.584 2.205 3.249 . 0 0 "[ . 1]" 1
800 1 61 ARG H 1 62 LEU H 2.784 . 3.753 2.577 2.522 2.631 . 0 0 "[ . 1]" 1
801 1 61 ARG H 1 62 LEU HB2 3.597 . 5.215 4.922 4.791 5.037 . 0 0 "[ . 1]" 1
802 1 61 ARG H 1 62 LEU HG 3.489 . 5.010 4.088 4.005 4.204 . 0 0 "[ . 1]" 1
803 1 61 ARG HA 1 61 ARG HB2 2.371 . 3.074 2.327 2.251 2.390 . 0 0 "[ . 1]" 1
804 1 61 ARG HA 1 61 ARG HB3 2.422 . 3.155 2.592 2.490 2.767 . 0 0 "[ . 1]" 1
805 1 61 ARG HA 1 61 ARG HD2 3.363 . 4.777 4.793 4.704 4.862 0.085 8 0 "[ . 1]" 1
806 1 61 ARG HA 1 61 ARG HG2 3.651 . 5.317 3.739 3.708 3.791 . 0 0 "[ . 1]" 1
807 1 61 ARG HA 1 62 LEU H 3.042 . 4.198 3.474 3.444 3.493 . 0 0 "[ . 1]" 1
808 1 61 ARG HA 1 63 HIS H 2.892 . 3.937 3.909 3.723 4.027 0.090 8 0 "[ . 1]" 1
809 1 61 ARG HB2 1 61 ARG HD2 2.356 . 3.050 3.046 2.653 3.220 0.170 6 0 "[ . 1]" 1
810 1 61 ARG HB2 1 62 LEU H 4.104 . 6.210 4.072 3.892 4.187 . 0 0 "[ . 1]" 1
811 1 61 ARG HB2 1 63 HIS H 5.202 . 8.584 5.501 5.362 5.701 . 0 0 "[ . 1]" 1
812 1 61 ARG HB3 1 61 ARG HD2 2.357 . 3.052 2.453 2.345 2.974 . 0 0 "[ . 1]" 1
813 1 61 ARG HB3 1 62 LEU H 2.919 . 3.984 3.773 3.408 3.913 . 0 0 "[ . 1]" 1
814 1 61 ARG HB3 1 62 LEU HB2 5.298 . 8.807 6.253 5.768 6.433 . 0 0 "[ . 1]" 1
815 1 61 ARG HD2 1 61 ARG HG2 2.000 . 2.500 2.521 2.381 3.022 0.522 1 1 "[+ . 1]" 1
816 1 61 ARG HG2 1 62 LEU H 1.795 . 2.198 2.346 2.302 2.385 0.187 1 0 "[ . 1]" 1
817 1 61 ARG HG2 1 62 LEU HB2 3.736 . 5.480 4.309 4.072 4.428 . 0 0 "[ . 1]" 1
818 1 62 LEU H 1 62 LEU HA 2.584 . 3.419 2.878 2.863 2.908 . 0 0 "[ . 1]" 1
819 1 62 LEU H 1 62 LEU HB2 2.272 . 2.917 2.558 2.485 2.616 . 0 0 "[ . 1]" 1
820 1 62 LEU H 1 62 LEU HB3 2.721 . 3.647 3.615 3.601 3.641 . 0 0 "[ . 1]" 1
821 1 62 LEU H 1 62 LEU HG 2.053 . 2.580 2.258 2.195 2.346 . 0 0 "[ . 1]" 1
822 1 62 LEU H 1 63 HIS H 2.495 . 3.273 2.448 2.328 2.532 . 0 0 "[ . 1]" 1
823 1 62 LEU HA 1 62 LEU HB2 2.570 . 3.395 3.018 3.015 3.020 . 0 0 "[ . 1]" 1
824 1 62 LEU HA 1 62 LEU HB3 2.593 . 3.434 2.424 2.390 2.464 . 0 0 "[ . 1]" 1
825 1 62 LEU HA 1 62 LEU HG 2.603 . 3.450 3.250 3.162 3.329 . 0 0 "[ . 1]" 1
826 1 62 LEU HA 1 63 HIS H 2.617 . 3.473 3.425 3.388 3.462 . 0 0 "[ . 1]" 1
827 1 62 LEU HB2 1 62 LEU HG 2.152 . 2.731 2.448 2.440 2.469 . 0 0 "[ . 1]" 1
828 1 62 LEU HB2 1 63 HIS H 2.636 . 3.505 3.153 3.060 3.285 . 0 0 "[ . 1]" 1
829 1 62 LEU HB3 1 62 LEU HG 2.796 . 3.773 3.020 3.017 3.023 . 0 0 "[ . 1]" 1
830 1 62 LEU HB3 1 63 HIS H 3.884 . 5.769 4.125 4.050 4.216 . 0 0 "[ . 1]" 1
831 1 62 LEU HB3 1 63 HIS QB 5.811 . 10.032 5.083 4.261 5.271 . 0 0 "[ . 1]" 1
832 1 62 LEU HG 1 63 HIS H 3.738 . 5.485 4.392 4.286 4.512 . 0 0 "[ . 1]" 1
833 1 63 HIS H 1 63 HIS HA 2.852 . 3.868 2.943 2.933 2.953 . 0 0 "[ . 1]" 1
834 1 63 HIS H 1 63 HIS QB 2.621 . 3.480 2.749 2.656 2.897 . 0 0 "[ . 1]" 1
835 1 63 HIS H 1 66 CYS H 4.773 . 7.621 4.899 4.671 5.461 . 0 0 "[ . 1]" 1
836 1 63 HIS HA 1 65 GLY H 5.590 . 9.496 5.926 5.797 6.012 . 0 0 "[ . 1]" 1
837 1 63 HIS QB 1 65 GLY H 3.852 . 5.707 5.155 4.927 5.451 . 0 0 "[ . 1]" 1
838 1 63 HIS QB 1 66 CYS H 2.639 . 3.509 3.347 3.243 3.525 0.016 3 0 "[ . 1]" 1
839 1 63 HIS QB 1 66 CYS HA 3.371 . 4.791 4.117 3.750 4.366 . 0 0 "[ . 1]" 1
840 1 63 HIS QB 1 66 CYS QB 1.878 . 2.319 1.890 1.590 2.261 . 0 0 "[ . 1]" 1
841 1 65 GLY H 1 65 GLY HA3 2.323 . 2.998 2.929 2.880 2.949 . 0 0 "[ . 1]" 1
842 1 65 GLY H 1 66 CYS H 2.990 . 4.107 2.593 2.479 2.725 . 0 0 "[ . 1]" 1
843 1 65 GLY HA3 1 66 CYS H 2.738 . 3.675 3.169 3.046 3.290 . 0 0 "[ . 1]" 1
844 1 65 GLY HA3 1 66 CYS QB 4.239 . 6.485 4.820 4.668 5.010 . 0 0 "[ . 1]" 1
845 1 66 CYS H 1 66 CYS QB 2.881 . 3.919 2.281 2.243 2.524 . 0 0 "[ . 1]" 1
846 1 66 CYS H 1 67 GLY H 5.256 . 8.709 4.612 4.601 4.627 . 0 0 "[ . 1]" 1
847 1 66 CYS H 1 70 THR MG 5.132 . 8.424 6.153 5.727 6.921 . 0 0 "[ . 1]" 1
848 1 66 CYS HA 1 66 CYS QB 2.058 . 2.587 2.373 2.198 2.417 . 0 0 "[ . 1]" 1
849 1 66 CYS HA 1 67 GLY H 1.963 . 2.444 2.237 2.205 2.288 . 0 0 "[ . 1]" 1
850 1 66 CYS HA 1 70 THR H 3.048 . 4.209 4.086 3.452 4.452 0.243 8 0 "[ . 1]" 1
851 1 66 CYS QB 1 70 THR MG 5.502 . 9.286 4.206 3.946 4.419 . 0 0 "[ . 1]" 1
852 1 67 GLY H 1 69 HIS H 3.447 . 4.933 3.420 3.029 3.846 . 0 0 "[ . 1]" 1
853 1 67 GLY H 1 70 THR H 3.279 . 4.623 2.739 2.421 3.020 . 0 0 "[ . 1]" 1
854 1 67 GLY H 1 70 THR HB 3.176 . 4.437 2.217 1.883 2.845 0.032 5 0 "[ . 1]" 1
855 1 67 GLY H 1 70 THR MG 3.562 . 5.148 3.440 3.205 3.876 . 0 0 "[ . 1]" 1
856 1 67 GLY HA2 1 69 HIS H 4.063 . 6.127 4.478 4.224 4.641 . 0 0 "[ . 1]" 1
857 1 67 GLY HA2 1 72 PHE HB2 5.313 . 8.842 7.683 6.707 9.097 0.255 1 0 "[ . 1]" 1
858 1 69 HIS H 1 69 HIS HA 2.455 . 3.208 2.941 2.904 2.956 . 0 0 "[ . 1]" 1
859 1 69 HIS H 1 69 HIS HB2 2.381 . 3.090 3.087 2.463 3.834 0.744 4 4 "[ *+* - 1]" 1
860 1 69 HIS H 1 69 HIS HB3 2.845 . 3.857 3.403 2.847 3.726 . 0 0 "[ . 1]" 1
861 1 69 HIS H 1 69 HIS HE1 3.123 . 4.342 4.508 4.406 4.569 0.227 1 0 "[ . 1]" 1
862 1 69 HIS H 1 70 THR H 2.293 . 2.950 2.139 1.917 2.325 . 0 0 "[ . 1]" 1
863 1 69 HIS H 1 70 THR HA 3.528 . 5.084 4.691 4.517 4.967 . 0 0 "[ . 1]" 1
864 1 69 HIS H 1 70 THR MG 4.919 . 7.943 5.308 5.117 5.538 . 0 0 "[ . 1]" 1
865 1 69 HIS H 1 71 THR H 3.996 . 5.992 6.218 6.052 6.321 0.329 9 0 "[ . 1]" 1
866 1 69 HIS H 1 71 THR HA 4.606 . 7.258 7.050 6.829 7.372 0.114 8 0 "[ . 1]" 1
867 1 69 HIS HA 1 69 HIS HB2 2.441 . 3.186 2.766 2.320 3.028 . 0 0 "[ . 1]" 1
868 1 69 HIS HA 1 69 HIS HB3 2.491 . 3.267 2.457 2.376 2.597 . 0 0 "[ . 1]" 1
869 1 69 HIS HA 1 70 THR MG 4.628 . 7.305 5.946 5.843 5.985 . 0 0 "[ . 1]" 1
870 1 69 HIS HA 1 71 THR H 3.679 . 5.371 5.424 5.374 5.479 0.108 6 0 "[ . 1]" 1
871 1 69 HIS HB3 1 70 THR H 3.064 . 4.238 4.263 3.919 4.420 0.182 8 0 "[ . 1]" 1
872 1 70 THR H 1 70 THR HA 2.432 . 3.171 2.925 2.876 2.937 . 0 0 "[ . 1]" 1
873 1 70 THR H 1 70 THR HB 2.627 . 3.489 2.679 2.509 2.818 . 0 0 "[ . 1]" 1
874 1 70 THR H 1 70 THR MG 4.469 . 6.965 3.822 3.774 3.846 . 0 0 "[ . 1]" 1
875 1 70 THR H 1 71 THR H 3.151 . 4.392 4.299 4.246 4.432 0.040 8 0 "[ . 1]" 1
876 1 70 THR HA 1 70 THR MG 2.207 . 2.816 2.295 2.193 2.390 . 0 0 "[ . 1]" 1
877 1 70 THR HA 1 71 THR H 2.289 . 2.944 2.159 2.137 2.191 . 0 0 "[ . 1]" 1
878 1 70 THR HA 1 71 THR HA 4.025 . 6.050 4.378 4.242 4.411 . 0 0 "[ . 1]" 1
879 1 70 THR HB 1 70 THR MG 2.207 . 2.816 2.132 2.118 2.137 . 0 0 "[ . 1]" 1
880 1 70 THR MG 1 71 THR H 2.588 . 3.425 3.035 2.879 3.149 . 0 0 "[ . 1]" 1
881 1 70 THR MG 1 71 THR HA 4.827 . 7.740 3.910 2.722 4.256 . 0 0 "[ . 1]" 1
882 1 70 THR MG 1 72 PHE H 3.372 . 4.793 4.349 3.304 4.597 . 0 0 "[ . 1]" 1
883 1 70 THR MG 1 72 PHE HB2 5.620 . 9.567 4.855 4.102 5.255 . 0 0 "[ . 1]" 1
884 1 70 THR MG 1 72 PHE HD1 7.356 . 14.119 2.733 2.172 3.084 . 0 0 "[ . 1]" 1
885 1 71 THR H 1 71 THR HB 2.459 . 3.215 2.764 2.615 3.301 0.086 8 0 "[ . 1]" 1
886 1 71 THR H 1 71 THR MG 3.419 . 4.881 3.842 3.797 3.885 . 0 0 "[ . 1]" 1
887 1 71 THR H 1 72 PHE H 3.257 . 4.583 4.399 4.246 4.483 . 0 0 "[ . 1]" 1
888 1 71 THR H 1 72 PHE HB2 6.472 . 11.708 6.232 5.924 6.530 . 0 0 "[ . 1]" 1
889 1 71 THR H 1 72 PHE HD1 3.361 . 4.773 4.539 4.358 4.830 0.057 7 0 "[ . 1]" 1
890 1 71 THR HA 1 71 THR MG 1.755 . 2.140 2.138 2.069 2.176 0.036 5 0 "[ . 1]" 1
891 1 71 THR HA 1 72 PHE H 2.319 . 2.991 2.143 2.105 2.176 . 0 0 "[ . 1]" 1
892 1 71 THR HA 1 72 PHE HB2 4.340 . 6.695 4.387 4.111 5.494 . 0 0 "[ . 1]" 1
893 1 71 THR HA 1 72 PHE HD1 3.089 . 4.282 3.444 2.880 3.957 . 0 0 "[ . 1]" 1
894 1 71 THR HB 1 71 THR MG 2.266 . 2.908 2.109 2.094 2.123 . 0 0 "[ . 1]" 1
895 1 71 THR HB 1 72 PHE H 3.194 . 4.469 3.985 3.602 4.229 . 0 0 "[ . 1]" 1
896 1 71 THR HB 1 72 PHE HB2 5.939 . 10.348 6.184 5.649 6.761 . 0 0 "[ . 1]" 1
897 1 71 THR MG 1 72 PHE H 2.371 . 3.074 2.508 2.027 2.768 . 0 0 "[ . 1]" 1
898 1 71 THR MG 1 72 PHE HB2 3.331 . 4.718 4.504 4.335 5.269 0.551 1 1 "[+ . 1]" 1
899 1 71 THR MG 1 73 ARG QB 4.080 . 6.161 4.012 3.528 4.714 . 0 0 "[ . 1]" 1
900 1 72 PHE H 1 72 PHE HB2 2.582 . 3.415 2.454 2.220 3.788 0.373 1 0 "[ . 1]" 1
901 1 72 PHE H 1 72 PHE HD1 2.750 . 3.696 2.744 2.370 3.257 . 0 0 "[ . 1]" 1
902 1 72 PHE H 1 73 ARG H 4.539 . 7.115 4.490 4.433 4.520 . 0 0 "[ . 1]" 1
903 1 72 PHE HA 1 73 ARG HD2 2.749 . 3.694 3.838 3.677 4.331 0.637 5 1 "[ + 1]" 1
904 1 72 PHE HA 1 73 ARG QG 2.586 . 3.422 3.436 3.389 3.492 0.070 10 0 "[ . 1]" 1
905 1 72 PHE HB2 1 72 PHE HD1 2.939 . 4.019 2.742 2.502 3.607 . 0 0 "[ . 1]" 1
906 1 72 PHE HB2 1 73 ARG H 5.698 . 9.756 3.940 2.491 4.253 . 0 0 "[ . 1]" 1
907 1 72 PHE HD1 1 73 ARG H 4.601 . 7.247 5.369 5.080 5.540 . 0 0 "[ . 1]" 1
908 1 73 ARG H 1 73 ARG QB . . 3.440 3.201 3.065 3.264 . 0 0 "[ . 1]" 1
909 1 73 ARG H 1 73 ARG HD2 3.839 . 5.681 3.044 1.966 3.560 0.031 3 0 "[ . 1]" 1
910 1 73 ARG H 1 73 ARG QG 2.880 . 3.917 2.237 1.877 2.751 . 0 0 "[ . 1]" 1
911 1 73 ARG H 1 74 TRP H 3.900 . 5.801 4.282 4.213 4.348 . 0 0 "[ . 1]" 1
912 1 73 ARG HA 1 73 ARG QB . . 2.619 2.156 2.127 2.174 . 0 0 "[ . 1]" 1
913 1 73 ARG HA 1 73 ARG HD2 3.029 . 4.176 4.166 3.685 5.123 0.947 5 1 "[ + 1]" 1
914 1 73 ARG HA 1 73 ARG QG 3.081 . 4.267 3.334 3.149 3.443 . 0 0 "[ . 1]" 1
915 1 73 ARG HA 1 74 TRP H 2.374 . 3.079 2.169 2.099 2.231 . 0 0 "[ . 1]" 1
916 1 73 ARG QB 1 73 ARG HD2 . . 3.036 2.601 2.243 3.426 0.390 5 0 "[ . 1]" 1
917 1 73 ARG QB 1 74 TRP H 3.944 . 5.888 3.010 2.893 3.129 . 0 0 "[ . 1]" 1
918 1 73 ARG HD2 1 73 ARG QG 1.994 . 2.491 2.311 2.169 2.388 . 0 0 "[ . 1]" 1
919 1 73 ARG QG 1 74 TRP H 3.645 . 5.305 4.423 4.108 4.794 . 0 0 "[ . 1]" 1
920 1 74 TRP H 1 74 TRP HA 2.195 . 2.797 2.937 2.916 2.950 0.153 9 0 "[ . 1]" 1
921 1 74 TRP H 1 74 TRP QB 3.054 . 4.220 2.662 2.446 3.053 . 0 0 "[ . 1]" 1
922 1 74 TRP H 1 74 TRP HD1 3.268 . 4.603 4.520 4.172 4.703 0.100 2 0 "[ . 1]" 1
923 1 74 TRP H 1 75 GLN H 3.444 . 4.927 4.326 4.249 4.393 . 0 0 "[ . 1]" 1
924 1 74 TRP H 1 75 GLN HB2 5.090 . 8.329 5.046 4.759 5.234 . 0 0 "[ . 1]" 1
925 1 74 TRP H 1 76 VAL H 4.441 . 6.906 6.392 6.075 6.616 . 0 0 "[ . 1]" 1
926 1 74 TRP HA 1 74 TRP QB 2.173 . 2.763 2.291 2.168 2.352 . 0 0 "[ . 1]" 1
927 1 74 TRP HA 1 74 TRP HD1 3.755 . 5.517 4.132 4.070 4.229 . 0 0 "[ . 1]" 1
928 1 74 TRP HA 1 75 GLN H 2.396 . 3.114 2.167 2.142 2.206 . 0 0 "[ . 1]" 1
929 1 74 TRP HA 1 75 GLN HB3 5.456 . 9.177 4.687 4.590 4.785 . 0 0 "[ . 1]" 1
930 1 74 TRP QB 1 74 TRP HD1 2.215 . 2.828 2.701 2.615 2.821 . 0 0 "[ . 1]" 1
931 1 74 TRP QB 1 75 GLN H 3.288 . 4.639 3.495 3.003 3.743 . 0 0 "[ . 1]" 1
932 1 74 TRP QB 1 76 VAL H 4.270 . 6.549 5.496 5.182 5.753 . 0 0 "[ . 1]" 1
933 1 74 TRP HD1 1 75 GLN H 2.749 . 3.693 3.793 3.719 3.912 0.219 8 0 "[ . 1]" 1
934 1 74 TRP HD1 1 76 VAL MG1 4.149 . 6.300 4.882 4.455 5.126 . 0 0 "[ . 1]" 1
935 1 75 GLN H 1 75 GLN HB2 2.567 . 3.391 2.832 2.716 2.969 . 0 0 "[ . 1]" 1
936 1 75 GLN H 1 75 GLN HB3 2.516 . 3.307 2.769 2.664 2.916 . 0 0 "[ . 1]" 1
937 1 75 GLN H 1 75 GLN HG2 3.379 . 4.806 4.627 4.566 4.683 . 0 0 "[ . 1]" 1
938 1 75 GLN H 1 76 VAL H 3.252 . 4.574 4.249 4.166 4.406 . 0 0 "[ . 1]" 1
939 1 75 GLN H 1 76 VAL HB 5.526 . 9.344 5.901 4.994 6.263 . 0 0 "[ . 1]" 1
940 1 75 GLN H 1 76 VAL MG1 5.955 . 10.388 6.255 6.056 6.453 . 0 0 "[ . 1]" 1
941 1 75 GLN HA 1 75 GLN HB2 2.629 . 3.493 2.566 2.536 2.634 . 0 0 "[ . 1]" 1
942 1 75 GLN HA 1 75 GLN HB3 2.818 . 3.810 3.018 2.992 3.028 . 0 0 "[ . 1]" 1
943 1 75 GLN HA 1 75 GLN HG2 2.764 . 3.719 2.483 2.389 2.548 . 0 0 "[ . 1]" 1
944 1 75 GLN HA 1 76 VAL HB 3.207 . 4.493 4.465 4.307 4.590 0.097 1 0 "[ . 1]" 1
945 1 75 GLN HB2 1 76 VAL H 3.464 . 4.964 4.407 4.260 4.499 . 0 0 "[ . 1]" 1
946 1 75 GLN HB3 1 75 GLN HG2 2.470 . 3.232 3.012 3.008 3.014 . 0 0 "[ . 1]" 1
947 1 75 GLN HB3 1 76 VAL H 4.561 . 7.161 4.144 3.986 4.227 . 0 0 "[ . 1]" 1
948 1 75 GLN HE21 1 75 GLN HG2 2.767 . 3.724 2.590 2.167 3.514 . 0 0 "[ . 1]" 1
949 1 75 GLN HE22 1 75 GLN HG2 2.893 . 3.939 3.647 3.448 4.055 0.116 7 0 "[ . 1]" 1
950 1 75 GLN HE22 1 76 VAL MG1 3.128 . 4.351 4.331 4.198 4.936 0.585 8 1 "[ . + 1]" 1
951 1 75 GLN HG2 1 76 VAL H 3.048 . 4.209 3.581 3.094 3.804 . 0 0 "[ . 1]" 1
952 1 76 VAL H 1 76 VAL HA 2.992 . 4.111 2.943 2.925 2.953 . 0 0 "[ . 1]" 1
953 1 76 VAL H 1 76 VAL HB 2.666 . 3.555 2.530 2.405 2.654 . 0 0 "[ . 1]" 1
954 1 76 VAL H 1 76 VAL MG1 3.101 . 4.303 3.658 3.115 3.802 . 0 0 "[ . 1]" 1
955 1 76 VAL H 1 76 VAL MG2 3.048 . 4.209 3.023 2.763 3.742 . 0 0 "[ . 1]" 1
956 1 76 VAL H 1 77 LYS H 4.189 . 6.382 4.295 4.197 4.411 . 0 0 "[ . 1]" 1
957 1 76 VAL H 1 77 LYS HG2 5.563 . 9.432 5.571 4.823 6.074 . 0 0 "[ . 1]" 1
958 1 76 VAL HA 1 76 VAL HB 2.506 . 3.291 2.990 2.798 3.024 . 0 0 "[ . 1]" 1
959 1 76 VAL HA 1 76 VAL MG1 2.499 . 3.279 2.589 2.427 3.018 . 0 0 "[ . 1]" 1
960 1 76 VAL HA 1 76 VAL MG2 2.545 . 3.355 2.249 1.816 2.378 . 0 0 "[ . 1]" 1
961 1 76 VAL HA 1 77 LYS H 2.263 . 2.903 2.162 2.131 2.195 . 0 0 "[ . 1]" 1
962 1 76 VAL HA 1 77 LYS QB 4.696 . 7.453 4.416 4.341 4.533 . 0 0 "[ . 1]" 1
963 1 76 VAL HA 1 77 LYS HG2 5.981 . 10.452 5.288 4.373 5.682 . 0 0 "[ . 1]" 1
964 1 76 VAL HB 1 76 VAL MG1 2.432 . 3.171 2.119 2.092 2.136 . 0 0 "[ . 1]" 1
965 1 76 VAL HB 1 76 VAL MG2 2.471 . 3.234 2.125 2.091 2.134 . 0 0 "[ . 1]" 1
966 1 76 VAL HB 1 77 LYS H 3.269 . 4.604 4.376 4.297 4.439 . 0 0 "[ . 1]" 1
967 1 76 VAL MG1 1 76 VAL MG2 3.998 . 5.996 2.076 2.042 2.098 . 0 0 "[ . 1]" 1
968 1 76 VAL MG1 1 77 LYS H 2.764 . 3.719 2.849 2.694 3.052 . 0 0 "[ . 1]" 1
969 1 76 VAL MG2 1 77 LYS H 3.263 . 4.593 3.789 2.636 4.133 . 0 0 "[ . 1]" 1
970 1 77 LYS H 1 77 LYS QB 2.780 . 3.670 2.442 2.351 2.638 . 0 0 "[ . 1]" 1
971 1 77 LYS H 1 77 LYS HG2 2.914 . 3.975 3.792 3.298 4.098 0.123 9 0 "[ . 1]" 1
972 1 77 LYS H 1 77 LYS HG3 2.916 . 3.979 2.883 2.545 3.178 . 0 0 "[ . 1]" 1
973 1 77 LYS H 1 78 LEU H 3.407 . 4.858 4.335 4.225 4.479 . 0 0 "[ . 1]" 1
974 1 77 LYS H 1 78 LEU HA 3.572 . 5.167 4.975 4.836 5.130 . 0 0 "[ . 1]" 1
975 1 77 LYS HA 1 77 LYS HG2 2.416 . 3.146 2.451 2.342 2.524 . 0 0 "[ . 1]" 1
976 1 77 LYS HA 1 78 LEU H 2.534 . 3.337 2.133 2.097 2.163 . 0 0 "[ . 1]" 1
977 1 77 LYS QB 1 78 LEU H . . 3.565 3.326 3.001 3.450 . 0 0 "[ . 1]" 1
978 1 77 LYS QB 1 78 LEU HA 3.950 . 5.900 4.341 4.094 4.531 . 0 0 "[ . 1]" 1
979 1 77 LYS HG3 1 78 LEU H 3.578 . 5.179 5.155 5.002 5.348 0.169 2 0 "[ . 1]" 1
980 1 78 LEU H 1 78 LEU HA 2.780 . 3.746 2.921 2.895 2.946 . 0 0 "[ . 1]" 1
981 1 79 ARG H 1 79 ARG HA 2.888 . 3.931 2.902 2.891 2.917 . 0 0 "[ . 1]" 1
982 1 81 LEU H 1 81 LEU HA 2.092 . 2.639 2.578 2.242 2.733 0.094 7 0 "[ . 1]" 1
983 1 81 LEU H 1 81 LEU HB2 2.684 . 3.585 3.478 2.672 3.989 0.404 2 0 "[ . 1]" 1
984 1 81 LEU H 1 82 ILE H 3.992 . 5.984 4.487 4.014 4.615 . 0 0 "[ . 1]" 1
985 1 81 LEU HA 1 82 ILE MG 5.465 . 9.198 4.038 3.771 4.274 . 0 0 "[ . 1]" 1
986 1 82 ILE H 1 82 ILE HA 2.672 . 3.565 2.947 2.918 2.957 . 0 0 "[ . 1]" 1
987 1 82 ILE H 1 82 ILE HB 2.714 . 3.635 3.657 3.566 3.739 0.104 2 0 "[ . 1]" 1
988 1 82 ILE H 1 82 ILE MG 3.204 . 4.487 3.258 3.109 3.471 . 0 0 "[ . 1]" 1
989 1 82 ILE H 1 83 GLU H 3.489 . 5.011 4.478 4.385 4.518 . 0 0 "[ . 1]" 1
990 1 82 ILE HA 1 82 ILE HB 2.694 . 3.601 2.608 2.542 2.707 . 0 0 "[ . 1]" 1
991 1 82 ILE HA 1 82 ILE MG 2.480 . 3.249 2.193 2.158 2.229 . 0 0 "[ . 1]" 1
992 1 82 ILE HA 1 83 GLU H 1.935 . 2.403 2.422 2.297 2.489 0.086 5 0 "[ . 1]" 1
993 1 82 ILE HB 1 82 ILE MG 2.050 . 2.575 2.112 2.101 2.128 . 0 0 "[ . 1]" 1
994 1 82 ILE HB 1 83 GLU H 2.212 . 2.824 2.340 2.156 2.887 0.063 7 0 "[ . 1]" 1
995 1 82 ILE HB 1 85 GLU HA 5.671 . 9.691 8.633 8.104 9.062 . 0 0 "[ . 1]" 1
996 1 82 ILE HB 1 85 GLU HB2 5.340 . 8.904 8.503 8.049 9.130 0.226 4 0 "[ . 1]" 1
997 1 82 ILE HB 1 87 CYS QB 3.354 . 4.760 4.268 3.346 4.648 . 0 0 "[ . 1]" 1
998 1 82 ILE MG 1 83 GLU H 2.435 . 3.176 3.153 3.071 3.244 0.068 1 0 "[ . 1]" 1
999 1 82 ILE MG 1 103 ARG HA 6.332 . 11.343 5.753 3.858 6.718 . 0 0 "[ . 1]" 1
1000 1 83 GLU H 1 83 GLU HA 2.471 . 3.234 2.945 2.880 2.972 . 0 0 "[ . 1]" 1
1001 1 83 GLU H 1 83 GLU QB 2.223 . 2.841 2.548 2.306 2.826 . 0 0 "[ . 1]" 1
1002 1 83 GLU H 1 86 GLN H 4.606 . 7.258 5.119 4.913 5.464 . 0 0 "[ . 1]" 1
1003 1 83 GLU H 1 86 GLN QG 5.060 . 8.260 4.892 4.479 5.368 . 0 0 "[ . 1]" 1
1004 1 83 GLU H 1 101 ARG H 4.054 . 6.108 4.040 3.518 4.684 . 0 0 "[ . 1]" 1
1005 1 83 GLU H 1 101 ARG QD 3.463 . 4.962 4.354 2.451 5.029 0.067 10 0 "[ . 1]" 1
1006 1 83 GLU H 1 103 ARG H 3.217 . 4.511 3.725 3.060 4.553 0.042 9 0 "[ . 1]" 1
1007 1 83 GLU H 1 103 ARG HA 6.096 . 10.741 5.462 3.069 6.970 . 0 0 "[ . 1]" 1
1008 1 83 GLU HA 1 83 GLU QB 2.475 . 3.241 2.368 2.218 2.521 . 0 0 "[ . 1]" 1
1009 1 83 GLU HA 1 103 ARG H 5.922 . 10.306 5.649 4.708 6.693 . 0 0 "[ . 1]" 1
1010 1 83 GLU QB 1 85 GLU H 2.661 . 3.546 3.764 3.410 4.119 0.573 5 1 "[ + 1]" 1
1011 1 83 GLU QB 1 86 GLN QG 2.001 . 2.502 2.176 1.428 2.551 0.072 9 0 "[ . 1]" 1
1012 1 85 GLU H 1 85 GLU HA 2.356 . 3.050 2.819 2.789 2.847 . 0 0 "[ . 1]" 1
1013 1 85 GLU H 1 85 GLU HB2 1.999 . 2.498 2.437 2.334 2.607 0.109 2 0 "[ . 1]" 1
1014 1 85 GLU H 1 85 GLU HB3 2.652 . 3.531 3.458 2.571 3.587 0.056 5 0 "[ . 1]" 1
1015 1 85 GLU H 1 85 GLU QG 2.386 . 3.098 2.386 1.769 3.903 0.805 4 1 "[ +. 1]" 1
1016 1 85 GLU H 1 86 GLN H 2.801 . 3.782 2.570 2.489 2.686 . 0 0 "[ . 1]" 1
1017 1 85 GLU H 1 86 GLN QG 3.659 . 5.333 3.965 3.588 4.219 . 0 0 "[ . 1]" 1
1018 1 85 GLU H 1 87 CYS H 3.146 . 4.384 3.931 3.690 4.234 . 0 0 "[ . 1]" 1
1019 1 85 GLU HA 1 85 GLU HB2 2.581 . 3.414 2.956 2.489 3.012 . 0 0 "[ . 1]" 1
1020 1 85 GLU HA 1 85 GLU HB3 2.081 . 2.622 2.530 2.390 3.005 0.383 4 0 "[ . 1]" 1
1021 1 85 GLU HA 1 85 GLU QG 2.059 . 2.589 2.511 2.292 2.738 0.149 10 0 "[ . 1]" 1
1022 1 85 GLU HA 1 86 GLN H 2.831 . 3.833 3.460 3.421 3.501 . 0 0 "[ . 1]" 1
1023 1 85 GLU HA 1 86 GLN QG 4.319 . 6.651 5.015 4.787 5.340 . 0 0 "[ . 1]" 1
1024 1 85 GLU HA 1 87 CYS H 2.904 . 3.958 3.955 3.712 4.062 0.104 8 0 "[ . 1]" 1
1025 1 85 GLU HB2 1 85 GLU QG 2.208 . 2.817 2.281 2.144 2.492 . 0 0 "[ . 1]" 1
1026 1 85 GLU HB2 1 86 GLN H 2.407 . 3.131 3.030 2.684 3.903 0.772 4 1 "[ +. 1]" 1
1027 1 85 GLU HB3 1 86 GLN H 2.840 . 3.848 3.769 2.775 3.959 0.111 6 0 "[ . 1]" 1
1028 1 85 GLU QG 1 86 GLN H 3.162 . 4.412 4.110 3.685 4.255 . 0 0 "[ . 1]" 1
1029 1 86 GLN H 1 86 GLN HA 2.669 . 3.560 2.912 2.896 2.938 . 0 0 "[ . 1]" 1
1030 1 86 GLN H 1 86 GLN HB2 2.333 . 3.013 2.625 2.531 3.022 0.009 9 0 "[ . 1]" 1
1031 1 86 GLN H 1 86 GLN HB3 3.187 . 4.457 3.658 3.630 3.691 . 0 0 "[ . 1]" 1
1032 1 86 GLN H 1 86 GLN QG 1.986 . 2.479 2.312 1.994 2.479 0.000 1 0 "[ . 1]" 1
1033 1 86 GLN H 1 87 CYS H 2.503 . 3.286 2.325 2.131 2.619 . 0 0 "[ . 1]" 1
1034 1 86 GLN H 1 101 ARG QD 3.227 . 4.529 4.056 3.265 4.530 0.001 3 0 "[ . 1]" 1
1035 1 86 GLN HA 1 86 GLN HB2 2.504 . 3.288 3.015 2.950 3.029 . 0 0 "[ . 1]" 1
1036 1 86 GLN HA 1 86 GLN HB3 2.075 . 2.613 2.406 2.267 2.450 . 0 0 "[ . 1]" 1
1037 1 86 GLN HA 1 86 GLN QG 2.616 . 3.472 2.916 2.416 3.320 . 0 0 "[ . 1]" 1
1038 1 86 GLN HA 1 87 CYS H 2.637 . 3.507 3.369 3.290 3.458 . 0 0 "[ . 1]" 1
1039 1 86 GLN HB2 1 86 GLN QG 2.243 . 2.872 2.188 2.150 2.288 . 0 0 "[ . 1]" 1
1040 1 86 GLN HB2 1 101 ARG H 4.136 . 6.274 4.878 4.590 5.152 . 0 0 "[ . 1]" 1
1041 1 86 GLN HB3 1 86 GLN HE21 3.115 . 4.328 4.111 3.725 4.445 0.117 7 0 "[ . 1]" 1
1042 1 86 GLN HB3 1 86 GLN HE22 3.257 . 4.583 4.484 4.173 4.705 0.122 7 0 "[ . 1]" 1
1043 1 86 GLN HB3 1 87 CYS H 4.177 . 6.357 4.233 4.036 4.465 . 0 0 "[ . 1]" 1
1044 1 86 GLN HE21 1 86 GLN QG 1.835 . 2.256 2.186 2.147 2.247 . 0 0 "[ . 1]" 1
1045 1 87 CYS H 1 87 CYS HA 2.510 . 3.298 2.890 2.847 2.923 . 0 0 "[ . 1]" 1
1046 1 87 CYS H 1 87 CYS QB 2.112 . 2.670 2.309 2.070 2.702 0.032 2 0 "[ . 1]" 1
1047 1 87 CYS H 1 88 THR H 3.729 . 5.467 4.534 4.467 4.569 . 0 0 "[ . 1]" 1
1048 1 87 CYS H 1 88 THR MG 4.363 . 6.743 5.543 5.402 5.653 . 0 0 "[ . 1]" 1
1049 1 87 CYS H 1 89 PHE H 7.660 . 14.994 7.695 7.354 7.838 . 0 0 "[ . 1]" 1
1050 1 87 CYS H 1 101 ARG H 3.673 . 5.359 5.119 4.739 5.482 0.123 2 0 "[ . 1]" 1
1051 1 87 CYS H 1 101 ARG QD 2.744 . 3.685 3.102 2.618 3.338 . 0 0 "[ . 1]" 1
1052 1 87 CYS HA 1 88 THR H 2.374 . 3.079 2.258 2.150 2.473 . 0 0 "[ . 1]" 1
1053 1 87 CYS HA 1 88 THR MG 3.166 . 4.419 3.472 3.352 3.644 . 0 0 "[ . 1]" 1
1054 1 87 CYS HA 1 89 PHE H 5.677 . 9.706 6.385 6.297 6.449 . 0 0 "[ . 1]" 1
1055 1 87 CYS QB 1 88 THR H 2.879 . 3.538 2.965 2.268 3.380 . 0 0 "[ . 1]" 1
1056 1 87 CYS QB 1 101 ARG H 2.471 . 3.234 2.975 2.611 3.310 0.076 2 0 "[ . 1]" 1
1057 1 87 CYS QB 1 101 ARG QD 2.506 . 3.291 2.613 1.552 3.148 0.338 7 0 "[ . 1]" 1
1058 1 88 THR H 1 88 THR HA 2.833 . 3.837 2.928 2.918 2.949 . 0 0 "[ . 1]" 1
1059 1 88 THR H 1 88 THR MG 2.530 . 3.330 2.347 2.139 2.416 . 0 0 "[ . 1]" 1
1060 1 88 THR H 1 89 PHE H 3.871 . 5.744 4.379 4.352 4.417 . 0 0 "[ . 1]" 1
1061 1 88 THR H 1 89 PHE HA 4.503 . 7.038 4.681 4.597 4.815 . 0 0 "[ . 1]" 1
1062 1 88 THR H 1 98 ILE MG 3.431 . 4.903 4.002 3.768 4.345 . 0 0 "[ . 1]" 1
1063 1 88 THR H 1 99 CYS H 2.900 . 3.951 3.604 3.461 3.749 . 0 0 "[ . 1]" 1
1064 1 88 THR H 1 99 CYS HB2 3.058 . 4.227 3.397 2.949 4.649 0.422 8 0 "[ . 1]" 1
1065 1 88 THR H 1 99 CYS HB3 3.249 . 4.569 4.216 2.915 4.612 0.043 4 0 "[ . 1]" 1
1066 1 88 THR H 1 101 ARG H 3.429 . 4.899 5.223 4.836 5.359 0.460 1 0 "[ . 1]" 1
1067 1 88 THR H 1 101 ARG QD 3.745 . 5.498 3.878 3.368 5.329 . 0 0 "[ . 1]" 1
1068 1 88 THR HA 1 88 THR MG 3.003 . 4.130 3.193 3.166 3.204 . 0 0 "[ . 1]" 1
1069 1 88 THR HA 1 90 CYS QB 6.870 . 12.770 7.098 6.562 7.376 . 0 0 "[ . 1]" 1
1070 1 88 THR MG 1 89 PHE H 2.611 . 3.463 3.320 3.250 3.428 . 0 0 "[ . 1]" 1
1071 1 88 THR MG 1 89 PHE HA 2.994 . 4.115 3.713 3.611 3.828 . 0 0 "[ . 1]" 1
1072 1 88 THR MG 1 89 PHE QB 6.702 . 12.316 4.822 4.766 4.898 . 0 0 "[ . 1]" 1
1073 1 88 THR MG 1 90 CYS QB 3.745 . 5.498 4.648 3.918 4.888 . 0 0 "[ . 1]" 1
1074 1 88 THR MG 1 99 CYS HB2 3.317 . 4.692 2.189 1.811 3.467 0.131 1 0 "[ . 1]" 1
1075 1 88 THR MG 1 100 LEU H 5.632 . 9.598 5.435 5.175 5.869 . 0 0 "[ . 1]" 1
1076 1 89 PHE H 1 89 PHE HA 2.939 . 4.019 2.930 2.917 2.943 . 0 0 "[ . 1]" 1
1077 1 89 PHE H 1 89 PHE QB 3.956 . 5.912 3.070 2.610 3.202 . 0 0 "[ . 1]" 1
1078 1 89 PHE H 1 90 CYS H 3.082 . 4.269 4.411 4.380 4.441 0.172 9 0 "[ . 1]" 1
1079 1 89 PHE H 1 90 CYS QB 5.437 . 9.132 5.328 4.832 5.558 . 0 0 "[ . 1]" 1
1080 1 89 PHE H 1 91 PHE HD1 6.663 . 12.212 7.795 6.713 8.174 . 0 0 "[ . 1]" 1
1081 1 89 PHE H 1 99 CYS H 3.777 . 5.560 4.757 4.614 4.969 . 0 0 "[ . 1]" 1
1082 1 89 PHE H 1 99 CYS HA 6.931 . 12.937 7.525 7.337 7.778 . 0 0 "[ . 1]" 1
1083 1 89 PHE HA 1 89 PHE QB 2.588 . 3.426 2.198 2.171 2.378 . 0 0 "[ . 1]" 1
1084 1 89 PHE HA 1 90 CYS H 2.050 . 2.575 2.392 2.345 2.473 . 0 0 "[ . 1]" 1
1085 1 89 PHE HA 1 90 CYS QB 3.531 . 5.090 3.841 3.594 4.004 . 0 0 "[ . 1]" 1
1086 1 89 PHE HA 1 98 ILE MG 2.788 . 3.760 2.808 2.678 2.917 . 0 0 "[ . 1]" 1
1087 1 89 PHE HA 1 99 CYS H 2.959 . 4.054 2.860 2.555 3.109 . 0 0 "[ . 1]" 1
1088 1 89 PHE QB 1 90 CYS H 1.850 . 2.278 2.325 2.264 2.360 0.082 8 0 "[ . 1]" 1
1089 1 90 CYS H 1 90 CYS HA 2.217 . 2.831 2.903 2.896 2.919 0.088 8 0 "[ . 1]" 1
1090 1 90 CYS H 1 90 CYS QB 2.364 . 3.062 2.635 2.531 2.699 . 0 0 "[ . 1]" 1
1091 1 90 CYS H 1 91 PHE HD1 3.082 . 4.269 4.122 3.473 4.349 0.080 5 0 "[ . 1]" 1
1092 1 90 CYS H 1 96 ILE MG 3.579 . 5.180 3.728 3.448 4.114 . 0 0 "[ . 1]" 1
1093 1 90 CYS H 1 97 ASP HB2 3.710 . 5.431 4.036 3.441 5.132 . 0 0 "[ . 1]" 1
1094 1 90 CYS HA 1 90 CYS QB 2.319 . 2.991 2.411 2.272 2.465 . 0 0 "[ . 1]" 1
1095 1 90 CYS HA 1 91 PHE H 2.323 . 2.998 2.245 2.170 2.318 . 0 0 "[ . 1]" 1
1096 1 90 CYS QB 1 91 PHE H 4.099 . 6.199 3.194 2.775 3.840 . 0 0 "[ . 1]" 1
1097 1 90 CYS QB 1 92 THR MG 3.988 . 5.976 4.032 3.363 4.882 . 0 0 "[ . 1]" 1
1098 1 90 CYS QB 1 96 ILE MG 5.456 . 9.177 4.769 4.596 4.970 . 0 0 "[ . 1]" 1
1099 1 90 CYS QB 1 97 ASP H 4.544 . 7.125 3.432 3.066 3.657 . 0 0 "[ . 1]" 1
1100 1 90 CYS QB 1 97 ASP HB3 1.917 . 2.376 2.207 1.558 2.440 0.064 2 0 "[ . 1]" 1
1101 1 90 CYS QB 1 98 ILE HA 2.685 . 3.586 3.710 3.633 3.797 0.211 7 0 "[ . 1]" 1
1102 1 90 CYS QB 1 98 ILE MG 4.652 . 7.358 5.219 5.055 5.299 . 0 0 "[ . 1]" 1
1103 1 91 PHE H 1 91 PHE HB2 2.362 . 3.060 2.606 2.491 2.673 . 0 0 "[ . 1]" 1
1104 1 91 PHE H 1 91 PHE HB3 2.735 . 3.670 3.749 3.689 3.785 0.115 3 0 "[ . 1]" 1
1105 1 91 PHE H 1 91 PHE HD1 3.022 . 4.164 3.998 3.228 4.215 0.051 6 0 "[ . 1]" 1
1106 1 91 PHE H 1 92 THR H 3.232 . 4.538 4.219 4.148 4.319 . 0 0 "[ . 1]" 1
1107 1 91 PHE H 1 95 ARG QG 7.683 . 15.061 9.262 9.020 9.389 . 0 0 "[ . 1]" 1
1108 1 91 PHE H 1 96 ILE MG 5.483 . 9.241 5.514 5.193 5.796 . 0 0 "[ . 1]" 1
1109 1 91 PHE H 1 97 ASP H 3.242 . 4.556 4.615 4.516 4.708 0.152 1 0 "[ . 1]" 1
1110 1 91 PHE HA 1 91 PHE HB2 2.393 . 3.109 3.020 3.014 3.025 . 0 0 "[ . 1]" 1
1111 1 91 PHE HA 1 91 PHE HD1 2.915 . 3.977 2.033 1.855 2.159 . 0 0 "[ . 1]" 1
1112 1 91 PHE HA 1 92 THR H 1.809 . 2.218 2.148 2.122 2.178 . 0 0 "[ . 1]" 1
1113 1 91 PHE HA 1 92 THR MG 6.149 . 10.876 4.106 3.819 4.438 . 0 0 "[ . 1]" 1
1114 1 91 PHE HB2 1 91 PHE HD1 2.826 . 3.825 3.673 3.362 3.732 . 0 0 "[ . 1]" 1
1115 1 91 PHE HB2 1 92 THR H 3.461 . 4.958 4.346 4.205 4.459 . 0 0 "[ . 1]" 1
1116 1 91 PHE HB2 1 95 ARG HA 5.536 . 9.367 8.869 8.465 9.247 . 0 0 "[ . 1]" 1
1117 1 91 PHE HB3 1 91 PHE HD1 2.788 . 3.760 3.055 2.930 3.543 . 0 0 "[ . 1]" 1
1118 1 91 PHE HD1 1 92 THR H 3.268 . 4.603 3.934 3.758 4.228 . 0 0 "[ . 1]" 1
1119 1 91 PHE HD1 1 97 ASP H 3.100 . 4.301 3.318 3.156 3.538 . 0 0 "[ . 1]" 1
1120 1 91 PHE HD1 1 97 ASP HA 3.998 . 5.996 6.072 6.039 6.114 0.118 7 0 "[ . 1]" 1
1121 1 92 THR H 1 92 THR MG 2.203 . 2.810 2.787 2.727 2.834 0.024 2 0 "[ . 1]" 1
1122 1 92 THR H 1 95 ARG H 2.904 . 3.958 3.880 3.684 3.995 0.037 6 0 "[ . 1]" 1
1123 1 92 THR H 1 96 ILE MG 3.464 . 4.964 4.866 4.727 5.042 0.078 8 0 "[ . 1]" 1
1124 1 92 THR H 1 97 ASP H 3.242 . 4.556 3.514 3.316 3.846 . 0 0 "[ . 1]" 1
1125 1 92 THR HA 1 92 THR HB 2.682 . 3.581 2.540 2.482 2.640 . 0 0 "[ . 1]" 1
1126 1 92 THR HA 1 92 THR MG 2.138 . 2.709 2.271 2.160 2.355 . 0 0 "[ . 1]" 1
1127 1 92 THR HA 1 93 ALA HA 3.696 . 5.404 4.211 4.162 4.243 . 0 0 "[ . 1]" 1
1128 1 92 THR HA 1 93 ALA MB 3.867 . 5.737 4.262 4.230 4.292 . 0 0 "[ . 1]" 1
1129 1 92 THR HA 1 94 SER QB 4.529 . 7.093 6.788 6.584 6.875 . 0 0 "[ . 1]" 1
1130 1 92 THR HB 1 92 THR MG 2.234 . 2.858 2.119 2.114 2.126 . 0 0 "[ . 1]" 1
1131 1 92 THR HB 1 93 ALA H 2.955 . 4.047 1.894 1.863 1.938 . 0 0 "[ . 1]" 1
1132 1 92 THR HB 1 93 ALA MB 3.023 . 4.165 3.661 3.605 3.729 . 0 0 "[ . 1]" 1
1133 1 92 THR HB 1 95 ARG H 3.004 . 4.132 3.383 3.226 3.526 . 0 0 "[ . 1]" 1
1134 1 92 THR HB 1 96 ILE H 10.965 . 25.994 6.773 6.395 7.075 . 0 0 "[ . 1]" 1
1135 1 92 THR HB 1 96 ILE HB 5.931 . 10.328 8.627 8.376 8.844 . 0 0 "[ . 1]" 1
1136 1 92 THR MG 1 93 ALA H 3.163 . 4.414 3.369 3.179 3.475 . 0 0 "[ . 1]" 1
1137 1 92 THR MG 1 93 ALA HA 6.282 . 11.215 5.405 5.230 5.491 . 0 0 "[ . 1]" 1
1138 1 92 THR MG 1 94 SER H 9.577 . 21.041 4.670 4.595 4.762 . 0 0 "[ . 1]" 1
1139 1 92 THR MG 1 95 ARG H 6.183 . 10.962 4.313 4.188 4.478 . 0 0 "[ . 1]" 1
1140 1 93 ALA H 1 93 ALA HA 2.958 . 4.051 2.831 2.807 2.859 . 0 0 "[ . 1]" 1
1141 1 93 ALA H 1 93 ALA MB 2.350 . 3.040 2.238 2.229 2.258 . 0 0 "[ . 1]" 1
1142 1 93 ALA H 1 94 SER H 3.263 . 4.593 2.648 2.584 2.743 . 0 0 "[ . 1]" 1
1143 1 93 ALA H 1 95 ARG H 2.676 . 3.571 3.664 3.626 3.710 0.139 4 0 "[ . 1]" 1
1144 1 93 ALA H 1 95 ARG HA 6.166 . 10.919 6.590 6.548 6.630 . 0 0 "[ . 1]" 1
1145 1 93 ALA H 1 96 ILE HA 4.545 . 7.127 7.067 6.971 7.258 0.131 8 0 "[ . 1]" 1
1146 1 93 ALA HA 1 93 ALA MB 2.341 . 3.026 2.125 2.122 2.126 . 0 0 "[ . 1]" 1
1147 1 93 ALA HA 1 94 SER H 3.369 . 4.788 3.533 3.526 3.540 . 0 0 "[ . 1]" 1
1148 1 93 ALA HA 1 94 SER QB 5.521 . 9.331 5.311 4.851 5.383 . 0 0 "[ . 1]" 1
1149 1 93 ALA MB 1 94 SER H 2.685 . 3.586 2.541 2.496 2.579 . 0 0 "[ . 1]" 1
1150 1 93 ALA MB 1 94 SER HA 3.487 . 5.007 3.997 3.921 4.055 . 0 0 "[ . 1]" 1
1151 1 93 ALA MB 1 94 SER QB 2.928 . 4.000 3.636 3.162 3.708 . 0 0 "[ . 1]" 1
1152 1 93 ALA MB 1 95 ARG H 3.301 . 4.663 4.164 4.081 4.214 . 0 0 "[ . 1]" 1
1153 1 94 SER H 1 94 SER HA 2.537 . 3.341 2.952 2.949 2.954 . 0 0 "[ . 1]" 1
1154 1 94 SER H 1 94 SER QB 2.591 . 3.430 2.491 2.435 2.524 . 0 0 "[ . 1]" 1
1155 1 94 SER H 1 95 ARG H 2.506 . 3.291 1.912 1.875 1.947 . 0 0 "[ . 1]" 1
1156 1 94 SER H 1 95 ARG HA 3.364 . 4.779 4.649 4.580 4.697 . 0 0 "[ . 1]" 1
1157 1 94 SER HA 1 94 SER QB 2.586 . 3.422 2.365 2.346 2.384 . 0 0 "[ . 1]" 1
1158 1 94 SER QB 1 95 ARG HB2 3.726 . 5.462 4.551 4.317 4.980 . 0 0 "[ . 1]" 1
1159 1 95 ARG H 1 95 ARG HB2 2.582 . 3.415 2.697 2.550 2.904 . 0 0 "[ . 1]" 1
1160 1 95 ARG H 1 95 ARG HD2 3.237 . 4.547 4.551 4.120 5.015 0.468 5 0 "[ . 1]" 1
1161 1 95 ARG H 1 95 ARG QG 2.195 . 2.797 2.649 2.261 2.832 0.035 3 0 "[ . 1]" 1
1162 1 95 ARG HA 1 95 ARG HB2 2.685 . 3.586 3.014 2.983 3.022 . 0 0 "[ . 1]" 1
1163 1 95 ARG HA 1 95 ARG QG 3.072 . 3.946 2.599 2.444 3.097 . 0 0 "[ . 1]" 1
1164 1 95 ARG HB2 1 96 ILE H 2.772 . 3.733 3.553 3.291 3.801 0.068 4 0 "[ . 1]" 1
1165 1 95 ARG QG 1 96 ILE MG 5.972 . 10.430 6.583 6.491 6.690 . 0 0 "[ . 1]" 1
1166 1 95 ARG QG 1 97 ASP H 4.572 . 7.185 6.700 6.435 7.101 . 0 0 "[ . 1]" 1
1167 1 96 ILE H 1 96 ILE HA 2.375 . 3.080 2.941 2.934 2.949 . 0 0 "[ . 1]" 1
1168 1 96 ILE H 1 96 ILE HB 2.085 . 2.629 2.499 2.397 2.602 . 0 0 "[ . 1]" 1
1169 1 96 ILE H 1 96 ILE MG 3.878 . 5.758 3.734 3.645 3.795 . 0 0 "[ . 1]" 1
1170 1 96 ILE HA 1 96 ILE HB 2.768 . 3.726 3.012 2.998 3.024 . 0 0 "[ . 1]" 1
1171 1 96 ILE HA 1 96 ILE MG 2.482 . 3.252 2.549 2.456 2.659 . 0 0 "[ . 1]" 1
1172 1 96 ILE HA 1 97 ASP H 2.394 . 3.110 2.123 2.102 2.155 . 0 0 "[ . 1]" 1
1173 1 96 ILE HB 1 97 ASP H 3.022 . 4.164 4.308 4.238 4.351 0.187 4 0 "[ . 1]" 1
1174 1 96 ILE MG 1 97 ASP H 2.326 . 3.002 2.767 2.614 2.865 . 0 0 "[ . 1]" 1
1175 1 96 ILE MG 1 97 ASP HA 3.696 . 5.404 3.622 3.360 3.821 . 0 0 "[ . 1]" 1
1176 1 97 ASP H 1 97 ASP HA 2.375 . 3.080 2.936 2.907 2.949 . 0 0 "[ . 1]" 1
1177 1 97 ASP H 1 97 ASP HB2 1.951 . 2.427 2.451 2.243 2.668 0.241 7 0 "[ . 1]" 1
1178 1 97 ASP H 1 97 ASP HB3 2.753 . 3.700 3.398 2.405 3.666 . 0 0 "[ . 1]" 1
1179 1 97 ASP H 1 98 ILE H 4.523 . 7.081 4.479 4.440 4.513 . 0 0 "[ . 1]" 1
1180 1 97 ASP HA 1 97 ASP HB2 2.534 . 3.337 2.912 2.467 3.027 . 0 0 "[ . 1]" 1
1181 1 97 ASP HA 1 97 ASP HB3 2.155 . 2.735 2.659 2.518 2.993 0.258 7 0 "[ . 1]" 1
1182 1 97 ASP HA 1 98 ILE H 1.894 . 2.342 2.240 2.208 2.273 . 0 0 "[ . 1]" 1
1183 1 97 ASP HA 1 98 ILE HB 4.052 . 6.104 4.841 4.730 4.959 . 0 0 "[ . 1]" 1
1184 1 97 ASP HA 1 98 ILE MG 5.923 . 10.308 5.482 5.441 5.521 . 0 0 "[ . 1]" 1
1185 1 97 ASP HB3 1 98 ILE H 3.496 . 5.024 3.337 3.017 4.247 . 0 0 "[ . 1]" 1
1186 1 98 ILE H 1 98 ILE HB 2.250 . 2.883 2.867 2.811 2.936 0.053 4 0 "[ . 1]" 1
1187 1 98 ILE H 1 98 ILE MG 3.941 . 5.882 3.944 3.916 3.970 . 0 0 "[ . 1]" 1
1188 1 98 ILE H 1 99 CYS H 3.919 . 5.839 4.310 4.226 4.374 . 0 0 "[ . 1]" 1
1189 1 98 ILE HA 1 98 ILE HB 2.350 . 3.040 3.022 3.017 3.031 . 0 0 "[ . 1]" 1
1190 1 98 ILE HA 1 98 ILE MG 2.522 . 3.317 2.339 2.312 2.357 . 0 0 "[ . 1]" 1
1191 1 98 ILE HA 1 99 CYS H 1.774 . 2.167 2.186 2.146 2.218 0.051 10 0 "[ . 1]" 1
1192 1 98 ILE HB 1 99 CYS H 2.943 . 4.026 4.013 3.907 4.122 0.096 5 0 "[ . 1]" 1
1193 1 98 ILE HB 1 100 LEU H 5.198 . 8.575 4.997 4.848 5.164 . 0 0 "[ . 1]" 1
1194 1 98 ILE HB 1 100 LEU HA 4.266 . 6.541 5.980 5.709 6.264 . 0 0 "[ . 1]" 1
1195 1 98 ILE MG 1 99 CYS H 2.392 . 3.107 2.488 2.341 2.667 . 0 0 "[ . 1]" 1
1196 1 98 ILE MG 1 99 CYS HA 2.932 . 4.006 3.849 3.681 3.890 . 0 0 "[ . 1]" 1
1197 1 98 ILE MG 1 99 CYS HB3 4.989 . 8.101 5.026 4.345 5.250 . 0 0 "[ . 1]" 1
1198 1 98 ILE MG 1 100 LEU H 3.044 . 4.203 4.002 3.895 4.094 . 0 0 "[ . 1]" 1
1199 1 99 CYS H 1 99 CYS HB2 2.704 . 3.618 2.668 2.591 2.952 . 0 0 "[ . 1]" 1
1200 1 99 CYS H 1 99 CYS HB3 2.760 . 3.712 3.492 2.463 3.786 0.074 10 0 "[ . 1]" 1
1201 1 99 CYS H 1 100 LEU H 3.851 . 5.704 4.268 4.202 4.377 . 0 0 "[ . 1]" 1
1202 1 99 CYS H 1 100 LEU HA 5.310 . 8.835 4.992 4.855 5.100 . 0 0 "[ . 1]" 1
1203 1 99 CYS HA 1 99 CYS HB2 2.614 . 3.468 2.916 2.410 3.030 . 0 0 "[ . 1]" 1
1204 1 99 CYS HA 1 99 CYS HB3 2.601 . 3.446 2.532 2.381 3.022 . 0 0 "[ . 1]" 1
1205 1 99 CYS HA 1 100 LEU H 2.626 . 3.488 2.119 2.087 2.155 . 0 0 "[ . 1]" 1
1206 1 99 CYS HB2 1 100 LEU H 4.134 . 6.270 4.310 4.246 4.413 . 0 0 "[ . 1]" 1
1207 1 99 CYS HB3 1 100 LEU H 3.120 . 4.337 3.752 3.496 4.427 0.090 8 0 "[ . 1]" 1
1208 1 100 LEU H 1 100 LEU HB2 2.385 . 3.096 2.543 2.481 2.722 . 0 0 "[ . 1]" 1
1209 1 100 LEU HA 1 101 ARG H 2.589 . 3.427 2.176 2.134 2.223 . 0 0 "[ . 1]" 1
1210 1 101 ARG H 1 101 ARG QB 2.418 . 3.149 2.914 2.674 3.086 . 0 0 "[ . 1]" 1
1211 1 101 ARG H 1 101 ARG QD 3.366 . 4.782 2.181 1.034 3.262 0.916 7 1 "[ . + 1]" 1
1212 1 101 ARG HA 1 101 ARG QB 2.351 . 3.042 2.200 2.124 2.301 . 0 0 "[ . 1]" 1
1213 1 102 LYS H 1 102 LYS HA 2.381 . 3.090 2.801 2.250 2.938 . 0 0 "[ . 1]" 1
1214 1 102 LYS HA 1 103 ARG HB3 5.665 . 9.676 5.334 4.613 6.201 . 0 0 "[ . 1]" 1
1215 1 103 ARG H 1 103 ARG HA 2.613 . 3.467 2.795 2.743 2.848 . 0 0 "[ . 1]" 1
1216 1 103 ARG H 1 103 ARG HB2 2.135 . 2.705 2.417 2.181 2.818 0.113 4 0 "[ . 1]" 1
1217 1 103 ARG H 1 103 ARG HB3 2.707 . 3.623 2.932 2.432 3.587 . 0 0 "[ . 1]" 1
1218 1 103 ARG HA 1 103 ARG HB2 2.947 . 4.033 2.662 2.376 3.017 . 0 0 "[ . 1]" 1
1219 1 103 ARG HA 1 103 ARG HB3 2.373 . 3.077 2.857 2.444 3.022 . 0 0 "[ . 1]" 1
1220 1 106 GLN H 1 106 GLN HA 2.837 . 3.843 2.910 2.892 2.933 . 0 0 "[ . 1]" 1
1221 1 106 GLN H 1 106 GLN QB 2.657 . 3.031 2.603 2.382 2.830 . 0 0 "[ . 1]" 1
1222 1 106 GLN H 1 106 GLN HG2 2.796 . 3.773 3.054 1.791 3.942 0.169 7 0 "[ . 1]" 1
1223 1 106 GLN H 1 106 GLN HG3 2.712 . 3.632 2.829 1.791 3.832 0.200 5 0 "[ . 1]" 1
1224 1 106 GLN H 1 107 ARG H 3.411 . 4.866 4.504 4.413 4.545 . 0 0 "[ . 1]" 1
1225 1 106 GLN HA 1 106 GLN QB 2.344 . 3.031 2.274 2.158 2.372 . 0 0 "[ . 1]" 1
1226 1 106 GLN HA 1 106 GLN HG2 3.974 . 5.948 3.216 2.510 4.139 . 0 0 "[ . 1]" 1
1227 1 106 GLN HA 1 106 GLN HG3 3.110 . 4.319 3.372 2.546 3.800 . 0 0 "[ . 1]" 1
1228 1 106 GLN HA 1 107 ARG H 2.381 . 3.090 2.211 2.159 2.259 . 0 0 "[ . 1]" 1
1229 1 106 GLN QB 1 107 ARG H 2.167 . 2.754 2.795 2.751 2.821 0.067 8 0 "[ . 1]" 1
1230 1 107 ARG H 1 107 ARG HB2 2.270 . 2.914 2.566 2.174 2.986 0.072 6 0 "[ . 1]" 1
1231 1 107 ARG HA 1 107 ARG HB2 2.466 . 3.226 2.760 2.413 3.028 . 0 0 "[ . 1]" 1
1232 1 111 LEU H 1 111 LEU HA 2.721 . 3.646 2.842 2.263 2.946 . 0 0 "[ . 1]" 1
1233 1 113 ALA H 1 113 ALA HA 2.728 . 3.658 2.921 2.872 2.936 . 0 0 "[ . 1]" 1
1234 1 113 ALA H 1 113 ALA MB 2.224 . 2.842 2.320 2.261 2.347 . 0 0 "[ . 1]" 1
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