NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
429381 |
2jgw   |
7420 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jgw
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 1282
_Distance_constraint_stats_list.Viol_count 2181
_Distance_constraint_stats_list.Viol_total 5683.716
_Distance_constraint_stats_list.Viol_max 2.842
_Distance_constraint_stats_list.Viol_rms 0.0628
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0111
_Distance_constraint_stats_list.Viol_average_violations_only 0.1303
_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 LEU 4.652 0.970 18 2 "[ . 1 - . + 2]"
1 2 ARG 8.569 0.970 18 2 "[ . 1 - . + 2]"
1 3 LYS 8.524 0.419 18 0 "[ . 1 . 2]"
1 4 CYS 3.899 0.347 10 0 "[ . 1 . 2]"
1 5 TYR 0.845 0.168 6 0 "[ . 1 . 2]"
1 6 PHE 2.634 0.387 16 0 "[ . 1 . 2]"
1 7 PRO 14.111 0.730 4 2 "[ +. 1 -. 2]"
1 8 TYR 8.103 1.198 20 1 "[ . 1 . +]"
1 9 LEU 4.405 0.618 20 1 "[ . 1 . +]"
1 10 GLU 0.145 0.122 19 0 "[ . 1 . 2]"
1 11 ASN 0.050 0.050 15 0 "[ . 1 . 2]"
1 12 GLY 2.131 1.005 19 2 "[ . 1 . +-]"
1 13 TYR 8.242 2.196 20 2 "[ . 1 . -+]"
1 14 ASN 3.999 0.683 13 1 "[ . 1 + . 2]"
1 15 GLN 15.381 0.399 2 0 "[ . 1 . 2]"
1 16 ASN 9.999 0.954 14 3 "[ . - +. *]"
1 17 HIS 13.385 1.198 20 5 "[ . 1 -** * +]"
1 18 GLY 1.946 0.318 14 0 "[ . 1 . 2]"
1 19 ARG 5.990 0.954 14 1 "[ . 1 +. 2]"
1 20 LYS 5.136 0.747 6 1 "[ .+ 1 . 2]"
1 21 PHE 7.925 0.981 10 4 "[ .* * +- . 2]"
1 22 VAL 2.046 0.274 12 0 "[ . 1 . 2]"
1 23 GLN 15.670 0.655 6 7 "[ * *+ 1*- * * 2]"
1 24 GLY 0.409 0.128 17 0 "[ . 1 . 2]"
1 25 LYS 7.645 0.305 12 0 "[ . 1 . 2]"
1 26 SER 9.849 0.347 5 0 "[ . 1 . 2]"
1 27 ILE 15.052 0.981 10 3 "[ . * + . *]"
1 28 ASP 9.993 0.661 15 2 "[ .- 1 + 2]"
1 29 VAL 7.060 0.288 6 0 "[ . 1 . 2]"
1 30 ALA 3.303 0.441 19 0 "[ . 1 . 2]"
1 31 CYS 5.539 1.005 19 1 "[ . 1 . +2]"
1 32 HIS 6.136 1.388 20 2 "[ - . 1 . +]"
1 33 PRO 4.996 2.196 20 3 "[ - . 1 . *+]"
1 34 GLY 0.893 0.383 5 0 "[ . 1 . 2]"
1 35 TYR 3.221 0.814 2 1 "[ + . 1 . 2]"
1 36 ALA 1.660 0.183 16 0 "[ . 1 . 2]"
1 37 LEU 8.510 2.842 18 2 "[ . 1 . -+ 2]"
1 38 PRO 13.975 0.781 6 4 "[ .+ * 1 * . -]"
1 39 LYS 11.004 0.781 6 4 "[ .+ * 1 * . -]"
1 40 ALA 5.370 2.842 18 2 "[ . 1 . -+ 2]"
1 41 GLN 6.627 0.497 17 0 "[ . 1 . 2]"
1 42 THR 6.283 0.448 18 0 "[ . 1 . 2]"
1 43 THR 11.764 0.475 18 0 "[ . 1 . 2]"
1 44 VAL 25.543 0.372 13 0 "[ . 1 . 2]"
1 45 THR 15.319 0.376 2 0 "[ . 1 . 2]"
1 46 CYS 7.220 0.513 11 1 "[ . 1+ . 2]"
1 47 MET 26.698 0.962 11 9 "[-* *** * 1+ .** 2]"
1 48 GLU 10.450 0.559 2 4 "[ + . 1 - * * 2]"
1 49 ASN 1.737 0.299 7 0 "[ . 1 . 2]"
1 50 GLY 1.400 0.463 2 0 "[ . 1 . 2]"
1 51 TRP 36.591 0.730 4 2 "[ +. 1 -. 2]"
1 52 SER 30.263 0.962 11 9 "[-* *** * 1+ .** 2]"
1 53 PRO 10.374 0.235 17 0 "[ . 1 . 2]"
1 54 THR 2.527 0.169 7 0 "[ . 1 . 2]"
1 55 PRO 6.664 0.324 16 0 "[ . 1 . 2]"
1 56 ARG 4.235 0.275 9 0 "[ . 1 . 2]"
1 57 CYS 0.724 0.222 19 0 "[ . 1 . 2]"
1 58 ILE 5.796 0.180 14 0 "[ . 1 . 2]"
1 59 ARG 13.771 0.299 3 0 "[ . 1 . 2]"
1 60 VAL 9.085 0.987 12 3 "[ * 1 + -. 2]"
1 61 LYS 3.973 0.503 15 1 "[ . 1 + 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 LEU HA 1 1 LEU HB2 2.483 . 3.223 2.970 2.350 3.017 . 0 0 "[ . 1 . 2]" 1
2 1 1 LEU HA 1 1 LEU HB3 2.443 . 3.159 2.539 2.369 3.002 . 0 0 "[ . 1 . 2]" 1
3 1 1 LEU HA 1 1 LEU QD 2.026 . 2.518 2.263 1.908 2.704 0.186 18 0 "[ . 1 . 2]" 1
4 1 1 LEU HA 1 1 LEU HG 2.417 . 3.118 2.803 2.305 3.209 0.091 20 0 "[ . 1 . 2]" 1
5 1 1 LEU HA 1 3 LYS H 3.286 . 4.582 4.396 3.299 4.773 0.191 15 0 "[ . 1 . 2]" 1
6 1 1 LEU HB2 1 1 LEU QD 2.339 . 2.995 2.208 2.120 2.299 . 0 0 "[ . 1 . 2]" 1
7 1 1 LEU HB2 1 2 ARG H 2.600 . 3.411 2.870 1.894 4.381 0.970 18 2 "[ . 1 - . + 2]" 1
8 1 1 LEU HB3 1 1 LEU QD 2.344 . 3.003 2.168 2.109 2.267 . 0 0 "[ . 1 . 2]" 1
9 1 1 LEU HB3 1 2 ARG H 2.856 . 3.835 3.357 1.822 4.012 0.177 18 0 "[ . 1 . 2]" 1
10 1 1 LEU QD 1 1 LEU HG 2.144 . 2.696 1.890 1.882 1.896 . 0 0 "[ . 1 . 2]" 1
11 1 2 ARG H 1 2 ARG HA 2.656 . 3.502 2.774 2.223 2.940 . 0 0 "[ . 1 . 2]" 1
12 1 2 ARG H 1 2 ARG QB 2.171 . 2.736 2.485 2.083 3.103 0.367 19 0 "[ . 1 . 2]" 1
13 1 2 ARG H 1 2 ARG QD 3.505 2.031 4.979 3.562 1.890 4.661 0.141 10 0 "[ . 1 . 2]" 1
14 1 2 ARG H 1 2 ARG HE 3.497 2.030 4.964 3.797 3.005 5.014 0.050 17 0 "[ . 1 . 2]" 1
15 1 2 ARG H 1 2 ARG QG 2.657 . 3.504 2.863 1.803 3.791 0.287 18 0 "[ . 1 . 2]" 1
16 1 2 ARG H 1 23 GLN HA 4.262 2.082 6.442 5.976 5.376 6.389 . 0 0 "[ . 1 . 2]" 1
17 1 2 ARG H 1 23 GLN HB2 2.861 . 3.843 3.654 2.835 4.078 0.235 5 0 "[ . 1 . 2]" 1
18 1 2 ARG H 1 23 GLN HE22 3.553 2.038 5.068 4.307 3.274 5.291 0.223 9 0 "[ . 1 . 2]" 1
19 1 2 ARG H 1 23 GLN QG 3.669 2.053 5.285 4.959 3.859 5.422 0.137 10 0 "[ . 1 . 2]" 1
20 1 2 ARG HA 1 2 ARG QB 2.150 . 2.705 2.370 2.134 2.506 . 0 0 "[ . 1 . 2]" 1
21 1 2 ARG HA 1 2 ARG QD 2.556 . 3.340 2.632 1.757 3.624 0.284 7 0 "[ . 1 . 2]" 1
22 1 2 ARG HA 1 2 ARG QG 2.537 . 3.309 2.786 2.146 3.420 0.111 7 0 "[ . 1 . 2]" 1
23 1 2 ARG HA 1 2 ARG QG 2.137 . 2.685 2.223 1.990 2.333 . 0 0 "[ . 1 . 2]" 1
24 1 2 ARG HA 1 3 LYS H 2.067 . 2.580 2.431 2.190 2.999 0.419 18 0 "[ . 1 . 2]" 1
25 1 2 ARG HA 1 3 LYS H 1.866 . 2.284 2.063 1.940 2.211 . 0 0 "[ . 1 . 2]" 1
26 1 2 ARG HA 1 3 LYS HA 3.065 . 4.192 3.926 3.831 4.089 . 0 0 "[ . 1 . 2]" 1
27 1 2 ARG QB 1 2 ARG QD 2.431 . 3.140 2.402 2.184 2.859 . 0 0 "[ . 1 . 2]" 1
28 1 2 ARG QB 1 2 ARG HE 3.403 2.013 4.793 3.334 1.990 4.181 0.023 19 0 "[ . 1 . 2]" 1
29 1 2 ARG QB 1 50 GLY H 4.023 2.080 5.966 4.798 3.796 6.141 0.175 11 0 "[ . 1 . 2]" 1
30 1 2 ARG QD 1 2 ARG QG 2.102 . 2.632 2.045 1.991 2.092 . 0 0 "[ . 1 . 2]" 1
31 1 2 ARG HE 1 2 ARG QG 3.450 2.022 4.878 2.466 2.146 3.232 . 0 0 "[ . 1 . 2]" 1
32 1 2 ARG HE 1 2 ARG QG 3.197 . 4.423 2.373 2.135 2.891 . 0 0 "[ . 1 . 2]" 1
33 1 2 ARG HE 1 3 LYS H 4.105 2.083 6.127 5.090 3.720 6.304 0.177 6 0 "[ . 1 . 2]" 1
34 1 3 LYS H 1 3 LYS HA 2.965 . 4.020 2.847 2.237 2.933 . 0 0 "[ . 1 . 2]" 1
35 1 3 LYS H 1 3 LYS HB2 2.501 . 3.252 2.651 2.266 3.369 0.117 10 0 "[ . 1 . 2]" 1
36 1 3 LYS H 1 3 LYS HB3 2.784 . 3.714 3.607 2.940 4.021 0.307 18 0 "[ . 1 . 2]" 1
37 1 3 LYS H 1 3 LYS QE 3.656 2.052 5.260 4.235 2.160 5.362 0.102 10 0 "[ . 1 . 2]" 1
38 1 3 LYS H 1 3 LYS QG 3.116 . 4.281 3.088 2.181 4.332 0.051 5 0 "[ . 1 . 2]" 1
39 1 3 LYS H 1 3 LYS QG 3.024 . 4.122 2.531 2.095 2.997 . 0 0 "[ . 1 . 2]" 1
40 1 3 LYS H 1 4 CYS H 3.471 2.025 4.917 4.486 4.235 4.616 . 0 0 "[ . 1 . 2]" 1
41 1 3 LYS H 1 4 CYS HA 4.267 2.082 6.452 5.125 4.494 5.518 . 0 0 "[ . 1 . 2]" 1
42 1 3 LYS H 1 22 VAL MG2 4.250 2.082 6.418 4.798 3.242 5.593 . 0 0 "[ . 1 . 2]" 1
43 1 3 LYS HA 1 3 LYS HB2 2.664 . 3.516 2.953 2.462 3.029 . 0 0 "[ . 1 . 2]" 1
44 1 3 LYS HA 1 3 LYS HB3 2.639 . 3.475 2.563 2.376 3.021 . 0 0 "[ . 1 . 2]" 1
45 1 3 LYS HA 1 3 LYS QD 2.873 . 3.863 3.069 1.985 4.019 0.156 1 0 "[ . 1 . 2]" 1
46 1 3 LYS HA 1 3 LYS QG 2.665 . 3.517 2.382 2.138 2.643 . 0 0 "[ . 1 . 2]" 1
47 1 3 LYS HA 1 4 CYS H 2.362 . 3.032 2.285 2.114 2.518 . 0 0 "[ . 1 . 2]" 1
48 1 3 LYS HA 1 22 VAL HA 2.652 . 3.496 2.314 1.788 3.379 0.020 20 0 "[ . 1 . 2]" 1
49 1 3 LYS HA 1 22 VAL HB 2.727 . 3.619 3.354 2.820 3.758 0.139 1 0 "[ . 1 . 2]" 1
50 1 3 LYS HA 1 23 GLN H 3.144 . 4.330 3.121 2.713 3.566 . 0 0 "[ . 1 . 2]" 1
51 1 3 LYS QB 1 23 GLN H 3.185 . 4.402 3.991 3.005 4.449 0.047 20 0 "[ . 1 . 2]" 1
52 1 3 LYS QB 1 22 VAL HA 2.972 . 4.032 3.195 1.938 4.083 0.051 15 0 "[ . 1 . 2]" 1
53 1 3 LYS HB2 1 3 LYS QG 2.366 . 3.038 2.310 2.144 2.483 . 0 0 "[ . 1 . 2]" 1
54 1 3 LYS HB2 1 4 CYS H 2.809 . 3.756 3.843 3.421 4.079 0.323 6 0 "[ . 1 . 2]" 1
55 1 3 LYS HB2 1 5 TYR H 3.885 2.074 5.696 4.885 4.432 5.337 . 0 0 "[ . 1 . 2]" 1
56 1 3 LYS HB3 1 3 LYS QG 2.435 . 3.146 2.280 2.136 2.476 . 0 0 "[ . 1 . 2]" 1
57 1 3 LYS HB3 1 4 CYS H 2.638 . 3.473 2.784 2.173 3.719 0.246 5 0 "[ . 1 . 2]" 1
58 1 3 LYS HB3 1 21 PHE H 2.849 . 3.823 3.770 3.134 3.925 0.102 9 0 "[ . 1 . 2]" 1
59 1 3 LYS QD 1 3 LYS QE 2.184 . 2.756 2.034 1.993 2.092 . 0 0 "[ . 1 . 2]" 1
60 1 3 LYS QE 1 3 LYS QG 2.668 . 3.522 2.182 1.994 2.654 . 0 0 "[ . 1 . 2]" 1
61 1 3 LYS QE 1 4 CYS H 3.971 2.078 5.864 4.685 3.120 5.404 . 0 0 "[ . 1 . 2]" 1
62 1 3 LYS QE 1 20 LYS HB3 3.098 . 4.250 3.478 1.923 4.065 0.023 14 0 "[ . 1 . 2]" 1
63 1 3 LYS QG 1 4 CYS H 3.343 2.002 4.684 3.739 1.983 4.424 0.019 10 0 "[ . 1 . 2]" 1
64 1 3 LYS QG 1 22 VAL HA 2.919 . 3.942 3.125 1.878 4.121 0.179 14 0 "[ . 1 . 2]" 1
65 1 4 CYS H 1 4 CYS QB 2.756 . 3.667 2.700 2.260 3.317 . 0 0 "[ . 1 . 2]" 1
66 1 4 CYS H 1 5 TYR HA 4.250 2.083 6.417 4.819 4.546 5.290 . 0 0 "[ . 1 . 2]" 1
67 1 4 CYS H 1 21 PHE H 2.859 . 3.840 3.070 2.685 3.449 . 0 0 "[ . 1 . 2]" 1
68 1 4 CYS H 1 21 PHE HB2 3.562 2.040 5.084 3.930 3.415 4.370 . 0 0 "[ . 1 . 2]" 1
69 1 4 CYS H 1 21 PHE HB3 3.944 2.077 5.811 4.906 4.423 5.362 . 0 0 "[ . 1 . 2]" 1
70 1 4 CYS H 1 21 PHE QD 4.167 2.083 6.251 5.124 4.653 5.475 . 0 0 "[ . 1 . 2]" 1
71 1 4 CYS H 1 22 VAL HA 3.161 . 4.360 3.388 2.711 4.191 . 0 0 "[ . 1 . 2]" 1
72 1 4 CYS H 1 22 VAL HB 4.192 2.083 6.301 5.367 4.532 5.970 . 0 0 "[ . 1 . 2]" 1
73 1 4 CYS H 1 23 GLN H 3.815 2.068 5.562 4.655 4.081 5.270 . 0 0 "[ . 1 . 2]" 1
74 1 4 CYS H 1 46 CYS HB2 3.823 2.070 5.576 4.855 3.858 5.923 0.347 10 0 "[ . 1 . 2]" 1
75 1 4 CYS H 1 51 TRP HZ2 4.233 2.083 6.383 5.476 5.069 6.132 . 0 0 "[ . 1 . 2]" 1
76 1 4 CYS HA 1 4 CYS QB 2.599 . 3.409 2.332 2.158 2.455 . 0 0 "[ . 1 . 2]" 1
77 1 4 CYS HA 1 5 TYR H 2.321 . 2.967 2.134 2.086 2.325 . 0 0 "[ . 1 . 2]" 1
78 1 4 CYS QB 1 5 TYR H 2.925 . 3.952 3.373 2.557 3.633 . 0 0 "[ . 1 . 2]" 1
79 1 4 CYS QB 1 51 TRP HE1 2.815 . 3.766 3.184 2.731 3.587 . 0 0 "[ . 1 . 2]" 1
80 1 4 CYS QB 1 21 PHE H 3.487 2.028 4.946 3.488 3.029 4.188 . 0 0 "[ . 1 . 2]" 1
81 1 4 CYS QB 1 46 CYS H 4.063 2.082 6.044 4.768 4.431 5.215 . 0 0 "[ . 1 . 2]" 1
82 1 4 CYS QB 1 46 CYS HA 3.302 . 4.610 3.740 2.734 4.615 0.005 20 0 "[ . 1 . 2]" 1
83 1 4 CYS QB 1 46 CYS HB2 2.768 . 3.688 2.713 2.196 3.996 0.308 10 0 "[ . 1 . 2]" 1
84 1 4 CYS QB 1 46 CYS HB3 3.028 . 4.128 3.666 2.450 4.194 0.066 7 0 "[ . 1 . 2]" 1
85 1 4 CYS QB 1 51 TRP H 3.125 . 4.297 3.541 3.155 4.039 . 0 0 "[ . 1 . 2]" 1
86 1 4 CYS QB 1 51 TRP HZ2 2.713 . 3.596 3.166 2.820 3.625 0.029 16 0 "[ . 1 . 2]" 1
87 1 5 TYR H 1 5 TYR HA 2.945 . 3.986 2.892 2.825 2.955 . 0 0 "[ . 1 . 2]" 1
88 1 5 TYR H 1 5 TYR QB 2.360 . 3.028 2.273 2.167 2.524 . 0 0 "[ . 1 . 2]" 1
89 1 5 TYR H 1 6 PHE H 3.775 2.065 5.485 4.494 4.314 4.577 . 0 0 "[ . 1 . 2]" 1
90 1 5 TYR H 1 7 PRO HD2 4.250 2.082 6.418 5.686 4.313 6.399 . 0 0 "[ . 1 . 2]" 1
91 1 5 TYR H 1 20 LYS HB3 4.312 2.081 6.543 5.425 3.559 6.664 0.121 16 0 "[ . 1 . 2]" 1
92 1 5 TYR H 1 20 LYS HG2 4.221 2.083 6.359 4.778 3.375 5.831 . 0 0 "[ . 1 . 2]" 1
93 1 5 TYR H 1 51 TRP HD1 4.045 2.081 6.009 5.329 4.731 6.011 0.002 20 0 "[ . 1 . 2]" 1
94 1 5 TYR H 1 51 TRP HE1 3.176 . 4.387 4.041 3.609 4.417 0.030 16 0 "[ . 1 . 2]" 1
95 1 5 TYR H 1 51 TRP HZ2 3.959 2.078 5.840 5.058 4.550 5.575 . 0 0 "[ . 1 . 2]" 1
96 1 5 TYR HA 1 5 TYR QB 2.487 . 3.229 2.338 2.280 2.388 . 0 0 "[ . 1 . 2]" 1
97 1 5 TYR HA 1 5 TYR QD 2.744 . 3.647 2.776 2.495 3.021 . 0 0 "[ . 1 . 2]" 1
98 1 5 TYR HA 1 6 PHE H 2.319 . 2.965 2.168 2.051 2.224 . 0 0 "[ . 1 . 2]" 1
99 1 5 TYR HA 1 6 PHE QB 3.240 . 4.500 4.081 3.949 4.236 . 0 0 "[ . 1 . 2]" 1
100 1 5 TYR HA 1 19 ARG H 4.149 2.084 6.214 5.271 4.429 5.786 . 0 0 "[ . 1 . 2]" 1
101 1 5 TYR HA 1 20 LYS H 3.935 2.076 5.794 4.915 4.067 5.535 . 0 0 "[ . 1 . 2]" 1
102 1 5 TYR HA 1 20 LYS HA 2.757 . 3.669 2.412 2.089 3.274 . 0 0 "[ . 1 . 2]" 1
103 1 5 TYR HA 1 20 LYS HG2 3.002 . 4.083 2.931 2.009 3.775 . 0 0 "[ . 1 . 2]" 1
104 1 5 TYR HA 1 20 LYS HG3 3.264 . 4.542 3.980 2.915 4.593 0.051 16 0 "[ . 1 . 2]" 1
105 1 5 TYR HA 1 21 PHE H 3.162 . 4.362 3.564 3.180 4.272 . 0 0 "[ . 1 . 2]" 1
106 1 5 TYR HA 1 51 TRP HE1 3.996 2.080 5.912 4.407 4.196 4.958 . 0 0 "[ . 1 . 2]" 1
107 1 5 TYR QB 1 5 TYR QD 2.341 . 2.999 2.137 2.129 2.146 . 0 0 "[ . 1 . 2]" 1
108 1 5 TYR QB 1 6 PHE H 3.037 . 4.144 3.738 3.627 3.830 . 0 0 "[ . 1 . 2]" 1
109 1 5 TYR QB 1 51 TRP HE1 3.466 2.025 4.907 4.114 3.996 4.452 . 0 0 "[ . 1 . 2]" 1
110 1 5 TYR QD 1 6 PHE H 3.555 2.038 5.072 3.459 3.073 3.776 . 0 0 "[ . 1 . 2]" 1
111 1 5 TYR QD 1 7 PRO HA 2.977 . 4.040 3.440 2.989 3.864 . 0 0 "[ . 1 . 2]" 1
112 1 5 TYR QD 1 7 PRO HB3 3.248 . 4.514 3.825 3.083 4.534 0.020 20 0 "[ . 1 . 2]" 1
113 1 5 TYR QD 1 18 GLY H 4.170 2.084 6.256 4.685 4.348 5.212 . 0 0 "[ . 1 . 2]" 1
114 1 5 TYR QD 1 19 ARG H 3.692 2.056 5.328 4.800 4.057 5.224 . 0 0 "[ . 1 . 2]" 1
115 1 5 TYR QD 1 20 LYS H 3.819 2.069 5.569 4.683 3.848 5.186 . 0 0 "[ . 1 . 2]" 1
116 1 5 TYR QD 1 20 LYS HA 3.189 . 4.409 3.783 3.244 4.440 0.031 4 0 "[ . 1 . 2]" 1
117 1 5 TYR QD 1 20 LYS HG2 2.869 . 3.857 2.414 1.854 3.520 0.027 11 0 "[ . 1 . 2]" 1
118 1 5 TYR QD 1 20 LYS HG3 2.840 . 3.808 2.880 2.167 3.976 0.168 6 0 "[ . 1 . 2]" 1
119 1 5 TYR QD 1 21 PHE H 4.116 2.083 6.149 5.230 4.921 5.645 . 0 0 "[ . 1 . 2]" 1
120 1 5 TYR QD 1 51 TRP HE1 4.229 2.083 6.375 4.987 4.465 5.642 . 0 0 "[ . 1 . 2]" 1
121 1 5 TYR QE 1 6 PHE H 4.125 2.083 6.167 4.481 4.126 4.793 . 0 0 "[ . 1 . 2]" 1
122 1 5 TYR QE 1 7 PRO HA 2.549 . 3.328 2.737 1.807 3.388 0.060 20 0 "[ . 1 . 2]" 1
123 1 5 TYR QE 1 8 TYR H 3.707 2.058 5.356 4.256 3.494 5.392 0.036 7 0 "[ . 1 . 2]" 1
124 1 5 TYR QE 1 18 GLY H 3.866 2.072 5.660 3.670 3.247 4.199 . 0 0 "[ . 1 . 2]" 1
125 1 5 TYR QE 1 18 GLY HA2 3.235 . 4.491 3.687 3.285 4.310 . 0 0 "[ . 1 . 2]" 1
126 1 5 TYR QE 1 18 GLY HA3 2.829 . 3.789 2.216 1.825 2.867 0.044 4 0 "[ . 1 . 2]" 1
127 1 6 PHE H 1 6 PHE QB 2.598 . 3.372 2.290 2.193 2.479 . 0 0 "[ . 1 . 2]" 1
128 1 6 PHE H 1 6 PHE QD 3.282 . 4.574 4.109 2.712 4.237 . 0 0 "[ . 1 . 2]" 1
129 1 6 PHE H 1 7 PRO HD2 3.931 2.076 5.786 5.029 4.795 5.302 . 0 0 "[ . 1 . 2]" 1
130 1 6 PHE H 1 7 PRO HD3 3.665 2.053 5.277 4.498 4.284 4.711 . 0 0 "[ . 1 . 2]" 1
131 1 6 PHE H 1 17 HIS HA 4.106 2.083 6.129 4.985 4.062 5.719 . 0 0 "[ . 1 . 2]" 1
132 1 6 PHE H 1 18 GLY H 3.683 2.055 5.311 4.099 3.641 4.505 . 0 0 "[ . 1 . 2]" 1
133 1 6 PHE H 1 18 GLY HA3 4.046 2.081 6.011 5.054 4.417 5.795 . 0 0 "[ . 1 . 2]" 1
134 1 6 PHE H 1 19 ARG H 3.355 2.004 4.706 3.721 3.201 4.126 . 0 0 "[ . 1 . 2]" 1
135 1 6 PHE H 1 19 ARG HA 4.285 2.081 6.489 5.041 4.702 5.515 . 0 0 "[ . 1 . 2]" 1
136 1 6 PHE H 1 19 ARG HB2 3.934 2.077 5.791 4.398 4.152 4.695 . 0 0 "[ . 1 . 2]" 1
137 1 6 PHE H 1 19 ARG HB3 3.855 2.072 5.638 5.264 5.038 5.727 0.089 16 0 "[ . 1 . 2]" 1
138 1 6 PHE H 1 19 ARG HG2 4.164 2.084 6.244 5.270 3.202 5.856 . 0 0 "[ . 1 . 2]" 1
139 1 6 PHE H 1 20 LYS HA 3.208 . 4.443 3.310 2.366 4.427 . 0 0 "[ . 1 . 2]" 1
140 1 6 PHE H 1 20 LYS HG2 3.808 2.068 5.548 4.492 3.728 5.281 . 0 0 "[ . 1 . 2]" 1
141 1 6 PHE H 1 20 LYS HG3 4.063 2.082 6.044 4.915 4.219 5.678 . 0 0 "[ . 1 . 2]" 1
142 1 6 PHE H 1 21 PHE H 3.793 2.066 5.520 4.387 3.941 5.388 . 0 0 "[ . 1 . 2]" 1
143 1 6 PHE H 1 21 PHE QD 3.509 2.032 4.986 3.803 3.287 4.998 0.012 16 0 "[ . 1 . 2]" 1
144 1 6 PHE H 1 21 PHE QE 3.480 2.026 4.934 4.270 3.532 5.298 0.364 16 0 "[ . 1 . 2]" 1
145 1 6 PHE H 1 51 TRP HZ2 3.173 . 4.381 3.577 2.951 4.560 0.179 16 0 "[ . 1 . 2]" 1
146 1 6 PHE HA 1 6 PHE QB 2.731 . 3.626 2.425 2.295 2.491 . 0 0 "[ . 1 . 2]" 1
147 1 6 PHE HA 1 7 PRO HD2 2.305 . 2.942 2.299 2.008 2.611 . 0 0 "[ . 1 . 2]" 1
148 1 6 PHE HA 1 7 PRO HD3 2.370 . 3.044 2.085 1.726 2.375 . 0 0 "[ . 1 . 2]" 1
149 1 6 PHE HA 1 18 GLY H 4.235 2.083 6.387 5.226 4.886 5.659 . 0 0 "[ . 1 . 2]" 1
150 1 6 PHE HA 1 19 ARG H 4.125 2.083 6.167 5.586 5.039 5.901 . 0 0 "[ . 1 . 2]" 1
151 1 6 PHE HA 1 51 TRP HD1 3.093 . 4.241 4.261 4.071 4.374 0.133 17 0 "[ . 1 . 2]" 1
152 1 6 PHE HA 1 51 TRP HE1 2.539 . 3.312 2.181 1.812 2.344 . 0 0 "[ . 1 . 2]" 1
153 1 6 PHE HA 1 51 TRP HZ2 2.678 . 3.538 3.090 2.769 3.362 . 0 0 "[ . 1 . 2]" 1
154 1 6 PHE QB 1 6 PHE QD 2.457 . 3.117 2.130 2.099 2.192 . 0 0 "[ . 1 . 2]" 1
155 1 6 PHE QB 1 17 HIS H 4.345 2.079 6.611 4.580 3.735 5.187 . 0 0 "[ . 1 . 2]" 1
156 1 6 PHE QB 1 17 HIS HD2 2.771 . 3.692 2.410 1.905 3.219 . 0 0 "[ . 1 . 2]" 1
157 1 6 PHE QB 1 18 GLY H 3.154 . 4.348 2.982 2.842 3.346 . 0 0 "[ . 1 . 2]" 1
158 1 6 PHE QB 1 19 ARG H 3.093 . 3.788 2.800 2.327 3.107 . 0 0 "[ . 1 . 2]" 1
159 1 6 PHE QB 1 19 ARG HB2 3.245 . 4.509 3.181 3.009 3.519 . 0 0 "[ . 1 . 2]" 1
160 1 6 PHE QB 1 19 ARG HB3 3.281 . 4.573 4.014 3.789 4.159 . 0 0 "[ . 1 . 2]" 1
161 1 6 PHE QB 1 20 LYS H 3.797 2.067 5.527 4.474 4.069 4.739 . 0 0 "[ . 1 . 2]" 1
162 1 6 PHE QB 1 21 PHE QD 2.892 . 3.895 3.005 2.592 4.039 0.144 16 0 "[ . 1 . 2]" 1
163 1 6 PHE QB 1 21 PHE QE 2.623 . 3.448 2.427 1.907 3.376 0.011 8 0 "[ . 1 . 2]" 1
164 1 6 PHE QB 1 51 TRP HE1 3.983 2.079 5.194 3.895 3.594 4.152 . 0 0 "[ . 1 . 2]" 1
165 1 6 PHE QB 1 51 TRP HZ2 3.168 . 3.552 2.721 2.413 3.073 . 0 0 "[ . 1 . 2]" 1
166 1 6 PHE QD 1 7 PRO HD2 3.042 . 4.152 3.335 2.785 3.737 . 0 0 "[ . 1 . 2]" 1
167 1 6 PHE QD 1 8 TYR H 4.341 2.080 6.602 5.711 4.585 6.989 0.387 16 0 "[ . 1 . 2]" 1
168 1 6 PHE QD 1 16 ASN H 3.854 2.072 5.636 4.159 3.594 5.727 0.091 16 0 "[ . 1 . 2]" 1
169 1 6 PHE QD 1 16 ASN HB2 3.223 . 4.470 3.536 3.029 4.411 . 0 0 "[ . 1 . 2]" 1
170 1 6 PHE QD 1 17 HIS H 3.578 2.041 5.115 3.599 2.960 5.245 0.130 16 0 "[ . 1 . 2]" 1
171 1 6 PHE QD 1 17 HIS HA 2.927 . 3.955 2.128 1.868 3.916 0.031 8 0 "[ . 1 . 2]" 1
172 1 6 PHE QD 1 18 GLY H 3.332 . 4.664 3.614 2.950 4.577 . 0 0 "[ . 1 . 2]" 1
173 1 6 PHE QD 1 19 ARG H 3.523 2.034 5.012 4.176 2.003 4.860 0.031 16 0 "[ . 1 . 2]" 1
174 1 6 PHE QD 1 21 PHE QE 3.013 . 4.102 3.415 2.741 3.915 . 0 0 "[ . 1 . 2]" 1
175 1 6 PHE QD 1 51 TRP HE1 3.436 2.019 4.853 3.751 1.941 4.342 0.078 16 0 "[ . 1 . 2]" 1
176 1 6 PHE QD 1 51 TRP HZ2 2.541 . 3.316 2.762 1.658 3.213 0.108 16 0 "[ . 1 . 2]" 1
177 1 7 PRO HA 1 7 PRO QB 2.434 . 3.145 2.181 2.163 2.187 . 0 0 "[ . 1 . 2]" 1
178 1 7 PRO HA 1 7 PRO HB3 2.548 . 3.327 2.308 2.249 2.323 . 0 0 "[ . 1 . 2]" 1
179 1 7 PRO HA 1 7 PRO HD2 3.229 . 4.480 4.066 3.945 4.104 . 0 0 "[ . 1 . 2]" 1
180 1 7 PRO HA 1 8 TYR H 2.366 . 3.038 2.416 1.996 2.686 . 0 0 "[ . 1 . 2]" 1
181 1 7 PRO HA 1 8 TYR HB2 3.255 . 4.527 4.422 4.107 4.651 0.124 17 0 "[ . 1 . 2]" 1
182 1 7 PRO HA 1 8 TYR HB3 3.224 . 4.471 4.605 4.363 4.683 0.212 10 0 "[ . 1 . 2]" 1
183 1 7 PRO HA 1 9 LEU H 4.021 2.081 5.961 5.771 5.234 6.028 0.067 8 0 "[ . 1 . 2]" 1
184 1 7 PRO HA 1 18 GLY H 3.920 2.076 5.764 4.670 3.994 5.241 . 0 0 "[ . 1 . 2]" 1
185 1 7 PRO QB 1 7 PRO HD2 3.004 . 4.087 3.486 3.216 3.522 . 0 0 "[ . 1 . 2]" 1
186 1 7 PRO QB 1 7 PRO HD3 3.064 . 4.191 3.033 2.884 3.500 . 0 0 "[ . 1 . 2]" 1
187 1 7 PRO QB 1 7 PRO HG3 2.360 . 3.028 2.182 2.165 2.191 . 0 0 "[ . 1 . 2]" 1
188 1 7 PRO HB2 1 8 TYR H 2.609 . 3.426 2.462 1.894 3.441 0.015 16 0 "[ . 1 . 2]" 1
189 1 7 PRO HB2 1 9 LEU QD 3.262 . 4.539 3.515 2.912 4.194 . 0 0 "[ . 1 . 2]" 1
190 1 7 PRO HB3 1 7 PRO HD2 2.880 . 3.876 3.886 3.851 3.957 0.081 4 0 "[ . 1 . 2]" 1
191 1 7 PRO HB3 1 7 PRO HG2 2.598 . 3.408 2.978 2.826 3.000 . 0 0 "[ . 1 . 2]" 1
192 1 7 PRO HB3 1 55 PRO HG3 3.295 . 4.598 4.304 3.706 4.638 0.040 16 0 "[ . 1 . 2]" 1
193 1 7 PRO HB3 1 51 TRP HE1 4.092 2.082 6.102 5.267 4.700 5.856 . 0 0 "[ . 1 . 2]" 1
194 1 7 PRO HD2 1 7 PRO HG2 2.648 . 3.489 2.283 2.265 2.309 . 0 0 "[ . 1 . 2]" 1
195 1 7 PRO HD2 1 7 PRO HG2 2.434 . 3.145 2.101 1.777 2.255 . 0 0 "[ . 1 . 2]" 1
196 1 7 PRO HD2 1 7 PRO HG3 2.417 . 3.118 2.773 2.702 2.946 . 0 0 "[ . 1 . 2]" 1
197 1 7 PRO HD2 1 8 TYR H 4.121 2.083 6.159 5.266 4.948 5.633 . 0 0 "[ . 1 . 2]" 1
198 1 7 PRO HD2 1 51 TRP HD1 3.096 . 4.246 4.173 3.546 4.677 0.431 15 0 "[ . 1 . 2]" 1
199 1 7 PRO HD2 1 51 TRP HD1 2.676 . 3.535 3.110 2.833 3.561 0.026 17 0 "[ . 1 . 2]" 1
200 1 7 PRO HD2 1 51 TRP HE1 2.648 . 3.490 3.424 2.580 3.961 0.471 4 0 "[ . 1 . 2]" 1
201 1 7 PRO HD2 1 51 TRP HZ2 3.386 2.010 4.762 4.937 4.528 5.492 0.730 4 2 "[ +. 1 -. 2]" 1
202 1 7 PRO HD2 1 55 PRO HG3 2.999 . 4.078 3.286 2.820 3.563 . 0 0 "[ . 1 . 2]" 1
203 1 7 PRO HD3 1 7 PRO HG2 2.440 . 3.154 2.650 2.279 2.903 . 0 0 "[ . 1 . 2]" 1
204 1 7 PRO HD3 1 8 TYR H 4.332 2.080 6.584 5.519 5.311 5.730 . 0 0 "[ . 1 . 2]" 1
205 1 7 PRO HD3 1 51 TRP HE1 2.915 . 3.935 2.378 1.899 2.737 . 0 0 "[ . 1 . 2]" 1
206 1 7 PRO HD3 1 55 PRO HG3 3.047 . 4.161 3.818 3.230 4.216 0.055 2 0 "[ . 1 . 2]" 1
207 1 7 PRO HG2 1 8 TYR H 3.569 2.041 5.097 4.226 3.701 4.844 . 0 0 "[ . 1 . 2]" 1
208 1 7 PRO HG2 1 8 TYR HA 3.099 . 4.251 4.183 4.097 4.282 0.031 15 0 "[ . 1 . 2]" 1
209 1 7 PRO HG2 1 56 ARG HA 3.254 . 4.525 4.590 4.222 4.747 0.222 5 0 "[ . 1 . 2]" 1
210 1 7 PRO HG2 1 9 LEU QD 2.892 . 3.895 2.657 1.955 3.441 . 0 0 "[ . 1 . 2]" 1
211 1 7 PRO HG2 1 51 TRP HE1 3.524 2.033 5.015 3.981 3.378 4.521 . 0 0 "[ . 1 . 2]" 1
212 1 7 PRO HG3 1 8 TYR H 3.686 2.055 5.317 4.932 4.470 5.510 0.193 16 0 "[ . 1 . 2]" 1
213 1 7 PRO HG3 1 51 TRP HD1 3.003 . 4.085 3.651 3.111 4.105 0.020 19 0 "[ . 1 . 2]" 1
214 1 8 TYR H 1 8 TYR HA 2.703 . 3.579 2.895 2.745 2.940 . 0 0 "[ . 1 . 2]" 1
215 1 8 TYR H 1 8 TYR HB2 2.336 . 2.991 2.834 2.374 3.094 0.103 1 0 "[ . 1 . 2]" 1
216 1 8 TYR H 1 8 TYR HB3 2.384 . 3.066 2.455 2.338 2.706 . 0 0 "[ . 1 . 2]" 1
217 1 8 TYR H 1 9 LEU H 3.441 2.020 4.862 4.261 3.826 4.490 . 0 0 "[ . 1 . 2]" 1
218 1 8 TYR H 1 17 HIS HD2 2.982 . 4.049 3.825 2.354 5.247 1.198 20 1 "[ . 1 . +]" 1
219 1 8 TYR HA 1 8 TYR HB2 2.590 . 3.395 2.427 2.382 2.498 . 0 0 "[ . 1 . 2]" 1
220 1 8 TYR HA 1 8 TYR HB3 2.447 . 3.165 3.020 3.011 3.027 . 0 0 "[ . 1 . 2]" 1
221 1 8 TYR HA 1 8 TYR QD 2.529 . 3.296 2.725 2.209 3.135 . 0 0 "[ . 1 . 2]" 1
222 1 8 TYR HA 1 9 LEU H 2.148 . 2.702 2.149 2.092 2.248 . 0 0 "[ . 1 . 2]" 1
223 1 8 TYR HA 1 14 ASN HD22 3.961 2.078 5.844 3.761 2.860 5.051 . 0 0 "[ . 1 . 2]" 1
224 1 8 TYR HA 1 17 HIS HD2 2.761 . 3.676 2.868 2.179 3.485 . 0 0 "[ . 1 . 2]" 1
225 1 8 TYR HA 1 17 HIS HD2 2.978 . 4.042 3.260 2.189 4.143 0.101 20 0 "[ . 1 . 2]" 1
226 1 8 TYR HB2 1 8 TYR QD 2.239 . 2.840 2.496 2.310 2.714 . 0 0 "[ . 1 . 2]" 1
227 1 8 TYR HB2 1 9 LEU H 3.466 2.024 4.908 3.318 2.153 4.018 . 0 0 "[ . 1 . 2]" 1
228 1 8 TYR HB2 1 17 HIS HD2 3.381 2.009 4.753 2.928 2.608 3.564 . 0 0 "[ . 1 . 2]" 1
229 1 8 TYR HB3 1 8 TYR QD 2.274 . 2.894 2.351 2.283 2.511 . 0 0 "[ . 1 . 2]" 1
230 1 8 TYR HB3 1 9 LEU H 3.397 2.012 4.782 4.373 4.211 4.523 . 0 0 "[ . 1 . 2]" 1
231 1 8 TYR HB3 1 17 HIS HD2 3.243 . 4.505 4.364 4.008 4.817 0.312 20 0 "[ . 1 . 2]" 1
232 1 8 TYR QD 1 9 LEU H 3.008 . 4.094 3.699 2.737 4.170 0.076 7 0 "[ . 1 . 2]" 1
233 1 8 TYR QD 1 10 GLU HA 3.257 . 4.530 3.828 2.992 4.534 0.004 20 0 "[ . 1 . 2]" 1
234 1 8 TYR QD 1 14 ASN QB 3.371 2.008 4.734 3.302 2.772 4.578 . 0 0 "[ . 1 . 2]" 1
235 1 8 TYR QD 1 14 ASN HD22 3.441 2.020 4.862 3.558 3.070 4.511 . 0 0 "[ . 1 . 2]" 1
236 1 8 TYR QD 1 17 HIS HD2 3.235 . 4.491 3.697 2.230 4.529 0.038 6 0 "[ . 1 . 2]" 1
237 1 8 TYR QE 1 10 GLU HA 2.751 . 3.659 2.869 1.901 3.675 0.016 20 0 "[ . 1 . 2]" 1
238 1 8 TYR QE 1 14 ASN HD22 3.043 . 4.154 3.428 2.309 4.162 0.008 7 0 "[ . 1 . 2]" 1
239 1 9 LEU H 1 9 LEU HB2 2.775 . 3.699 2.377 2.256 2.457 . 0 0 "[ . 1 . 2]" 1
240 1 9 LEU H 1 9 LEU HB3 2.981 . 4.047 3.597 3.535 3.654 . 0 0 "[ . 1 . 2]" 1
241 1 9 LEU H 1 9 LEU QD 3.026 . 4.125 2.211 1.913 3.196 0.014 10 0 "[ . 1 . 2]" 1
242 1 9 LEU H 1 9 LEU HG 3.037 . 4.144 3.760 2.672 4.295 0.151 20 0 "[ . 1 . 2]" 1
243 1 9 LEU H 1 10 GLU H 3.917 2.076 5.758 4.350 3.346 4.578 . 0 0 "[ . 1 . 2]" 1
244 1 9 LEU H 1 12 GLY QA 3.906 2.075 5.737 4.577 4.054 5.028 . 0 0 "[ . 1 . 2]" 1
245 1 9 LEU H 1 14 ASN HA 4.094 2.082 6.106 4.772 3.869 5.724 . 0 0 "[ . 1 . 2]" 1
246 1 9 LEU H 1 14 ASN QB 4.206 2.083 6.329 3.537 2.159 5.465 . 0 0 "[ . 1 . 2]" 1
247 1 9 LEU H 1 14 ASN HD21 3.156 . 4.351 3.296 1.950 4.679 0.328 20 0 "[ . 1 . 2]" 1
248 1 9 LEU H 1 14 ASN HD22 3.437 2.020 4.854 3.019 2.015 4.439 0.005 6 0 "[ . 1 . 2]" 1
249 1 9 LEU H 1 17 HIS HD2 4.190 2.083 6.297 5.210 3.581 6.308 0.011 17 0 "[ . 1 . 2]" 1
250 1 9 LEU HA 1 9 LEU HB2 2.818 . 3.771 3.013 2.990 3.025 . 0 0 "[ . 1 . 2]" 1
251 1 9 LEU HA 1 9 LEU HB3 2.524 . 3.288 2.550 2.487 2.632 . 0 0 "[ . 1 . 2]" 1
252 1 9 LEU HA 1 9 LEU QD 2.458 . 3.183 2.689 1.768 2.975 . 0 0 "[ . 1 . 2]" 1
253 1 9 LEU HA 1 10 GLU H 2.301 . 2.936 2.205 2.102 2.644 . 0 0 "[ . 1 . 2]" 1
254 1 9 LEU HB2 1 9 LEU QD 2.250 . 2.858 2.130 2.097 2.315 . 0 0 "[ . 1 . 2]" 1
255 1 9 LEU HB2 1 9 LEU HG 2.628 . 3.457 2.966 2.405 3.034 . 0 0 "[ . 1 . 2]" 1
256 1 9 LEU HB2 1 10 GLU H 4.316 2.081 6.551 4.244 4.032 4.524 . 0 0 "[ . 1 . 2]" 1
257 1 9 LEU HB2 1 12 GLY QA 3.346 2.002 3.984 2.847 2.339 3.776 . 0 0 "[ . 1 . 2]" 1
258 1 9 LEU HB2 1 13 TYR H 3.872 2.073 5.671 4.797 3.920 5.180 . 0 0 "[ . 1 . 2]" 1
259 1 9 LEU HB2 1 14 ASN HD22 3.904 2.075 5.733 3.397 2.091 5.261 . 0 0 "[ . 1 . 2]" 1
260 1 9 LEU HB3 1 12 GLY QA 2.974 . 4.035 2.750 2.323 3.591 . 0 0 "[ . 1 . 2]" 1
261 1 9 LEU HB3 1 9 LEU HG 2.818 . 3.771 2.534 2.265 3.014 . 0 0 "[ . 1 . 2]" 1
262 1 9 LEU HB3 1 10 GLU H 3.896 2.075 5.717 3.366 2.947 4.353 . 0 0 "[ . 1 . 2]" 1
263 1 9 LEU HB3 1 12 GLY QA 3.044 . 4.156 3.084 2.498 3.921 . 0 0 "[ . 1 . 2]" 1
264 1 9 LEU HB3 1 14 ASN HD22 4.205 2.083 6.327 4.608 3.425 6.293 . 0 0 "[ . 1 . 2]" 1
265 1 9 LEU QD 1 9 LEU HG 2.149 . 2.703 1.891 1.880 1.895 . 0 0 "[ . 1 . 2]" 1
266 1 9 LEU QD 1 10 GLU H 3.947 2.078 5.816 4.137 3.181 4.343 . 0 0 "[ . 1 . 2]" 1
267 1 9 LEU QD 1 12 GLY QA 2.684 . 3.549 3.127 2.668 4.167 0.618 20 1 "[ . 1 . +]" 1
268 1 9 LEU QD 1 14 ASN H 3.301 . 4.608 4.119 3.278 4.463 . 0 0 "[ . 1 . 2]" 1
269 1 9 LEU QD 1 55 PRO HB2 3.017 . 4.109 2.210 1.652 3.298 0.273 14 0 "[ . 1 . 2]" 1
270 1 9 LEU QD 1 55 PRO HG2 3.099 . 4.252 3.525 2.922 4.158 . 0 0 "[ . 1 . 2]" 1
271 1 9 LEU QD 1 56 ARG H 3.952 2.078 5.826 3.456 2.821 4.554 . 0 0 "[ . 1 . 2]" 1
272 1 9 LEU QD 1 56 ARG HA 2.732 . 3.627 2.646 1.562 3.105 0.275 9 0 "[ . 1 . 2]" 1
273 1 9 LEU HG 1 32 HIS H 4.233 2.082 6.384 5.270 4.720 5.496 . 0 0 "[ . 1 . 2]" 1
274 1 9 LEU HG 1 56 ARG HA 2.526 . 3.292 2.842 2.270 3.478 0.186 9 0 "[ . 1 . 2]" 1
275 1 10 GLU H 1 10 GLU HA 2.814 . 3.764 2.755 2.264 2.921 . 0 0 "[ . 1 . 2]" 1
276 1 10 GLU H 1 10 GLU QB 2.454 . 3.177 2.492 2.079 2.983 . 0 0 "[ . 1 . 2]" 1
277 1 10 GLU H 1 10 GLU QG 3.669 2.053 5.285 2.903 1.931 4.470 0.122 19 0 "[ . 1 . 2]" 1
278 1 10 GLU HA 1 10 GLU QB 2.404 . 3.097 2.354 2.154 2.489 . 0 0 "[ . 1 . 2]" 1
279 1 10 GLU HA 1 10 GLU QG 2.748 . 3.654 2.598 2.197 3.074 . 0 0 "[ . 1 . 2]" 1
280 1 10 GLU QB 1 11 ASN QD 3.351 2.021 4.698 3.761 2.439 4.266 . 0 0 "[ . 1 . 2]" 1
281 1 11 ASN QD 1 35 TYR QE 2.971 . 4.030 3.262 2.298 4.080 0.050 15 0 "[ . 1 . 2]" 1
282 1 12 GLY QA 1 13 TYR H 2.678 . 3.468 2.262 2.151 2.304 . 0 0 "[ . 1 . 2]" 1
283 1 12 GLY QA 1 13 TYR QD 3.241 . 4.502 3.734 2.267 4.047 . 0 0 "[ . 1 . 2]" 1
284 1 12 GLY QA 1 14 ASN HD22 4.337 2.080 6.594 3.916 2.845 4.599 . 0 0 "[ . 1 . 2]" 1
285 1 12 GLY QA 1 31 CYS H 4.088 2.082 6.094 4.779 4.317 5.919 . 0 0 "[ . 1 . 2]" 1
286 1 12 GLY QA 1 31 CYS H 3.702 2.058 5.346 4.352 4.003 4.919 . 0 0 "[ . 1 . 2]" 1
287 1 12 GLY QA 1 31 CYS HA 2.500 . 3.250 2.351 1.754 4.255 1.005 19 1 "[ . 1 . +2]" 1
288 1 12 GLY QA 1 32 HIS H 2.605 . 3.419 2.501 2.160 3.394 . 0 0 "[ . 1 . 2]" 1
289 1 12 GLY QA 1 32 HIS H 2.634 . 3.467 2.347 2.113 2.873 . 0 0 "[ . 1 . 2]" 1
290 1 12 GLY QA 1 32 HIS HB2 3.057 . 4.179 4.096 3.159 4.261 0.082 2 0 "[ . 1 . 2]" 1
291 1 13 TYR H 1 13 TYR QB 2.752 . 3.380 2.472 2.347 3.027 . 0 0 "[ . 1 . 2]" 1
292 1 13 TYR H 1 13 TYR QD 2.650 . 3.493 2.625 1.984 3.052 . 0 0 "[ . 1 . 2]" 1
293 1 13 TYR H 1 13 TYR QE 3.646 2.051 5.241 4.484 3.128 5.016 . 0 0 "[ . 1 . 2]" 1
294 1 13 TYR H 1 14 ASN H 3.671 2.054 5.288 3.522 2.149 4.567 . 0 0 "[ . 1 . 2]" 1
295 1 13 TYR H 1 14 ASN QB 4.252 2.082 6.422 5.140 4.716 5.511 . 0 0 "[ . 1 . 2]" 1
296 1 13 TYR H 1 30 ALA MB 3.038 . 4.145 3.504 2.792 4.258 0.113 19 0 "[ . 1 . 2]" 1
297 1 13 TYR H 1 31 CYS HA 2.928 . 3.957 2.938 2.174 4.521 0.564 19 1 "[ . 1 . +2]" 1
298 1 13 TYR H 1 31 CYS HB3 3.968 2.079 5.857 5.468 4.711 6.711 0.854 19 1 "[ . 1 . +2]" 1
299 1 13 TYR H 1 32 HIS H 3.396 2.012 4.780 4.235 3.800 4.538 . 0 0 "[ . 1 . 2]" 1
300 1 13 TYR HA 1 13 TYR QB 2.642 . 3.480 2.359 2.116 2.424 . 0 0 "[ . 1 . 2]" 1
301 1 13 TYR HA 1 13 TYR QD 2.620 . 3.443 2.835 2.566 3.520 0.077 19 0 "[ . 1 . 2]" 1
302 1 13 TYR HA 1 14 ASN H 2.991 . 4.064 2.667 2.151 3.531 . 0 0 "[ . 1 . 2]" 1
303 1 13 TYR HA 1 14 ASN HD22 4.162 2.084 6.240 4.808 4.194 5.734 . 0 0 "[ . 1 . 2]" 1
304 1 13 TYR HA 1 15 GLN H 3.641 2.050 5.232 4.531 3.079 5.323 0.091 11 0 "[ . 1 . 2]" 1
305 1 13 TYR QB 1 13 TYR QD 2.335 . 2.853 2.135 2.098 2.169 . 0 0 "[ . 1 . 2]" 1
306 1 13 TYR QB 1 14 ASN H 3.605 2.073 5.164 3.331 2.203 4.035 . 0 0 "[ . 1 . 2]" 1
307 1 13 TYR QB 1 15 GLN H 3.171 2.027 4.378 3.518 2.850 4.163 . 0 0 "[ . 1 . 2]" 1
308 1 13 TYR QB 1 30 ALA MB 2.435 . 3.146 2.232 1.682 3.233 0.087 19 0 "[ . 1 . 2]" 1
309 1 13 TYR QD 1 14 ASN H 3.243 . 4.505 4.355 3.448 4.620 0.115 4 0 "[ . 1 . 2]" 1
310 1 13 TYR QD 1 15 GLN H 4.097 2.083 6.111 5.404 4.334 5.887 . 0 0 "[ . 1 . 2]" 1
311 1 13 TYR QD 1 31 CYS H 3.917 2.076 5.758 3.927 3.159 4.407 . 0 0 "[ . 1 . 2]" 1
312 1 13 TYR QD 1 31 CYS HA 3.001 . 4.082 3.424 1.658 4.156 0.262 20 0 "[ . 1 . 2]" 1
313 1 13 TYR QD 1 32 HIS H 4.138 2.083 6.193 4.307 2.646 4.798 . 0 0 "[ . 1 . 2]" 1
314 1 13 TYR QD 1 32 HIS HA 3.239 . 4.498 4.032 3.408 4.566 0.068 20 0 "[ . 1 . 2]" 1
315 1 13 TYR QE 1 32 HIS H 4.005 2.080 5.930 4.172 2.046 4.904 0.034 20 0 "[ . 1 . 2]" 1
316 1 13 TYR QE 1 32 HIS HA 2.565 . 3.354 2.696 2.223 4.742 1.388 20 1 "[ . 1 . +]" 1
317 1 13 TYR QE 1 33 PRO QD 2.728 . 3.621 3.417 2.175 5.817 2.196 20 2 "[ . 1 . -+]" 1
318 1 14 ASN H 1 14 ASN QB 3.183 . 4.399 2.953 2.579 3.447 . 0 0 "[ . 1 . 2]" 1
319 1 14 ASN H 1 14 ASN HD22 3.722 2.060 5.384 3.653 2.927 4.599 . 0 0 "[ . 1 . 2]" 1
320 1 14 ASN HA 1 14 ASN QB 2.768 . 3.687 2.237 2.136 2.349 . 0 0 "[ . 1 . 2]" 1
321 1 14 ASN HA 1 14 ASN HD22 3.823 2.069 5.577 4.549 3.942 5.015 . 0 0 "[ . 1 . 2]" 1
322 1 14 ASN HA 1 15 GLN H 2.821 . 3.776 2.565 2.277 3.534 . 0 0 "[ . 1 . 2]" 1
323 1 14 ASN HA 1 16 ASN H 3.217 . 4.459 3.048 2.615 3.718 . 0 0 "[ . 1 . 2]" 1
324 1 14 ASN HA 1 17 HIS H 3.147 . 4.336 3.702 2.490 4.414 0.078 9 0 "[ . 1 . 2]" 1
325 1 14 ASN QB 1 14 ASN HD21 3.014 . 3.991 2.270 2.139 2.689 . 0 0 "[ . 1 . 2]" 1
326 1 14 ASN QB 1 14 ASN HD22 2.924 . 3.542 3.306 3.217 3.445 . 0 0 "[ . 1 . 2]" 1
327 1 14 ASN QB 1 15 GLN H 3.770 2.064 5.464 3.784 2.170 4.000 . 0 0 "[ . 1 . 2]" 1
328 1 14 ASN QB 1 17 HIS H 2.523 . 3.287 2.828 2.089 3.065 . 0 0 "[ . 1 . 2]" 1
329 1 14 ASN QB 1 17 HIS HB2 3.015 . 3.668 1.833 1.241 2.471 0.683 13 1 "[ . 1 + . 2]" 1
330 1 14 ASN QB 1 17 HIS HB3 3.175 . 4.385 2.644 1.860 3.088 0.105 20 0 "[ . 1 . 2]" 1
331 1 15 GLN H 1 15 GLN HA 2.558 . 3.343 2.785 2.183 2.866 . 0 0 "[ . 1 . 2]" 1
332 1 15 GLN H 1 15 GLN HA 2.454 . 3.176 2.656 2.163 2.728 . 0 0 "[ . 1 . 2]" 1
333 1 15 GLN H 1 15 GLN HB2 2.671 . 3.527 2.802 2.247 3.821 0.294 9 0 "[ . 1 . 2]" 1
334 1 15 GLN H 1 15 GLN HB2 2.566 . 3.356 2.644 2.212 3.448 0.092 9 0 "[ . 1 . 2]" 1
335 1 15 GLN H 1 15 GLN HB3 2.528 . 3.295 3.294 2.550 3.596 0.301 13 0 "[ . 1 . 2]" 1
336 1 15 GLN H 1 15 GLN HG2 2.987 . 4.058 2.948 1.952 4.109 0.051 7 0 "[ . 1 . 2]" 1
337 1 15 GLN H 1 15 GLN HG3 3.134 . 4.313 2.930 1.913 4.495 0.182 9 0 "[ . 1 . 2]" 1
338 1 15 GLN H 1 16 ASN HD21 3.694 2.057 5.331 3.775 2.605 4.805 . 0 0 "[ . 1 . 2]" 1
339 1 15 GLN H 1 16 ASN HD22 3.401 2.013 4.789 4.429 3.878 5.032 0.243 1 0 "[ . 1 . 2]" 1
340 1 15 GLN H 1 17 HIS H 3.634 2.049 5.219 4.189 3.596 4.572 . 0 0 "[ . 1 . 2]" 1
341 1 15 GLN HA 1 15 GLN HB2 2.327 . 2.977 2.840 2.295 3.018 0.041 20 0 "[ . 1 . 2]" 1
342 1 15 GLN HA 1 15 GLN HB3 2.303 . 2.940 2.473 2.387 2.630 . 0 0 "[ . 1 . 2]" 1
343 1 15 GLN HA 1 15 GLN HG2 2.670 . 3.525 3.090 2.446 3.737 0.212 8 0 "[ . 1 . 2]" 1
344 1 15 GLN HA 1 15 GLN HG3 2.789 . 3.723 3.303 2.344 3.792 0.069 6 0 "[ . 1 . 2]" 1
345 1 15 GLN HA 1 16 ASN H 3.292 . 4.593 3.391 3.126 3.543 . 0 0 "[ . 1 . 2]" 1
346 1 15 GLN HA 1 17 HIS H 3.502 2.030 4.974 4.028 3.600 4.677 . 0 0 "[ . 1 . 2]" 1
347 1 15 GLN HB2 1 15 GLN QG 2.380 . 3.060 2.314 2.161 2.388 . 0 0 "[ . 1 . 2]" 1
348 1 15 GLN HB2 1 16 ASN H 3.467 2.024 4.910 3.398 2.373 4.153 . 0 0 "[ . 1 . 2]" 1
349 1 15 GLN HB2 1 17 HIS H 4.357 2.079 6.635 5.303 4.920 5.852 . 0 0 "[ . 1 . 2]" 1
350 1 15 GLN HB3 1 15 GLN HG3 2.248 . 2.854 2.863 2.421 3.011 0.157 1 0 "[ . 1 . 2]" 1
351 1 15 GLN HE21 1 15 GLN HG2 3.224 . 4.472 2.997 2.204 3.497 . 0 0 "[ . 1 . 2]" 1
352 1 15 GLN HE21 1 15 GLN HG3 3.262 . 4.539 2.647 2.214 3.484 . 0 0 "[ . 1 . 2]" 1
353 1 15 GLN HE22 1 15 GLN HG2 2.776 . 3.701 3.832 3.470 4.074 0.373 13 0 "[ . 1 . 2]" 1
354 1 15 GLN HE22 1 15 GLN HG3 2.749 . 3.656 3.669 3.474 4.055 0.399 2 0 "[ . 1 . 2]" 1
355 1 15 GLN HG2 1 16 ASN H 2.900 . 3.909 3.366 2.374 3.746 . 0 0 "[ . 1 . 2]" 1
356 1 16 ASN H 1 16 ASN HB2 2.702 . 3.578 2.683 2.420 3.658 0.080 18 0 "[ . 1 . 2]" 1
357 1 16 ASN H 1 16 ASN HB3 2.929 . 3.959 3.670 3.075 3.867 . 0 0 "[ . 1 . 2]" 1
358 1 16 ASN H 1 16 ASN HD21 3.712 2.058 5.366 3.863 2.632 4.863 . 0 0 "[ . 1 . 2]" 1
359 1 16 ASN H 1 16 ASN HD22 3.358 2.005 4.711 4.603 4.001 5.120 0.409 1 0 "[ . 1 . 2]" 1
360 1 16 ASN H 1 17 HIS H 2.491 . 3.236 2.391 1.917 2.909 . 0 0 "[ . 1 . 2]" 1
361 1 16 ASN H 1 17 HIS HA 4.179 2.083 6.275 4.471 4.173 4.868 . 0 0 "[ . 1 . 2]" 1
362 1 16 ASN H 1 17 HIS HB2 3.839 2.070 5.608 4.436 3.979 4.866 . 0 0 "[ . 1 . 2]" 1
363 1 16 ASN H 1 17 HIS HB3 3.651 2.051 5.251 4.766 4.189 5.496 0.245 13 0 "[ . 1 . 2]" 1
364 1 16 ASN HA 1 16 ASN HB2 2.924 . 3.950 2.975 2.529 3.035 . 0 0 "[ . 1 . 2]" 1
365 1 16 ASN HA 1 16 ASN HB3 2.678 . 3.539 2.494 2.294 2.618 . 0 0 "[ . 1 . 2]" 1
366 1 16 ASN HA 1 17 HIS H 3.256 . 4.528 3.108 2.787 3.430 . 0 0 "[ . 1 . 2]" 1
367 1 16 ASN HA 1 19 ARG H 3.902 2.075 5.729 4.649 4.086 5.450 . 0 0 "[ . 1 . 2]" 1
368 1 16 ASN HA 1 19 ARG HB2 3.352 2.004 4.700 3.742 3.211 4.378 . 0 0 "[ . 1 . 2]" 1
369 1 16 ASN HA 1 19 ARG QD 2.721 . 3.610 1.927 1.737 2.221 0.099 3 0 "[ . 1 . 2]" 1
370 1 16 ASN HA 1 19 ARG HG3 3.135 . 4.314 3.401 2.875 3.951 . 0 0 "[ . 1 . 2]" 1
371 1 16 ASN HB2 1 16 ASN HD21 2.851 . 3.826 2.339 2.170 3.421 . 0 0 "[ . 1 . 2]" 1
372 1 16 ASN HB2 1 16 ASN HD22 2.643 . 3.481 3.526 3.452 4.000 0.519 10 1 "[ . + . 2]" 1
373 1 16 ASN HB2 1 17 HIS H 3.492 2.028 4.956 3.940 3.147 4.375 . 0 0 "[ . 1 . 2]" 1
374 1 16 ASN HB3 1 16 ASN HD21 2.864 . 3.848 2.988 2.202 3.464 . 0 0 "[ . 1 . 2]" 1
375 1 16 ASN HB3 1 16 ASN HD22 2.946 . 3.988 3.816 3.455 4.048 0.060 11 0 "[ . 1 . 2]" 1
376 1 16 ASN HB3 1 17 HIS H 3.628 2.048 5.208 4.387 4.017 4.654 . 0 0 "[ . 1 . 2]" 1
377 1 16 ASN HB3 1 19 ARG H 3.731 2.061 5.401 4.566 3.726 6.355 0.954 14 1 "[ . 1 +. 2]" 1
378 1 16 ASN HB3 1 19 ARG HB3 3.021 . 4.116 3.753 3.036 4.774 0.658 14 1 "[ . 1 +. 2]" 1
379 1 16 ASN HB3 1 19 ARG QD 3.019 . 4.113 2.491 1.918 3.155 0.007 16 0 "[ . 1 . 2]" 1
380 1 16 ASN HB3 1 21 PHE QE 3.259 . 4.534 2.802 2.066 4.625 0.091 14 0 "[ . 1 . 2]" 1
381 1 16 ASN HB3 1 21 PHE HZ 3.198 . 4.425 2.849 2.035 3.851 . 0 0 "[ . 1 . 2]" 1
382 1 16 ASN HD21 1 27 ILE MD 2.649 . 3.491 3.088 2.045 4.364 0.873 10 2 "[ . + . -]" 1
383 1 16 ASN HD21 1 27 ILE HG12 3.866 2.073 5.659 2.773 2.022 4.999 0.051 3 0 "[ . 1 . 2]" 1
384 1 16 ASN HD21 1 27 ILE HG13 4.019 2.080 5.958 3.428 2.595 5.108 . 0 0 "[ . 1 . 2]" 1
385 1 16 ASN HD22 1 27 ILE MD 3.623 2.048 5.198 2.590 1.933 3.531 0.115 15 0 "[ . 1 . 2]" 1
386 1 16 ASN HD22 1 27 ILE HG12 3.833 2.070 5.596 3.073 2.043 3.913 0.027 3 0 "[ . 1 . 2]" 1
387 1 16 ASN HD22 1 27 ILE HG13 4.054 2.081 6.027 3.575 2.178 5.067 . 0 0 "[ . 1 . 2]" 1
388 1 16 ASN HD22 1 27 ILE MG 3.540 2.037 5.043 4.514 3.032 5.335 0.292 7 0 "[ . 1 . 2]" 1
389 1 17 HIS H 1 17 HIS HA 2.742 . 3.644 2.819 2.766 2.899 . 0 0 "[ . 1 . 2]" 1
390 1 17 HIS H 1 17 HIS HB2 2.456 . 3.180 2.632 2.102 2.925 . 0 0 "[ . 1 . 2]" 1
391 1 17 HIS H 1 17 HIS HB3 2.399 . 3.090 2.533 2.415 3.284 0.194 13 0 "[ . 1 . 2]" 1
392 1 17 HIS H 1 17 HIS HD2 3.581 2.042 5.120 5.055 4.881 5.223 0.103 13 0 "[ . 1 . 2]" 1
393 1 17 HIS H 1 18 GLY H 3.499 2.030 4.968 4.538 4.364 4.606 . 0 0 "[ . 1 . 2]" 1
394 1 17 HIS H 1 19 ARG H 3.666 2.053 5.279 4.759 4.481 5.299 0.020 1 0 "[ . 1 . 2]" 1
395 1 17 HIS H 1 19 ARG QD 3.288 . 4.585 4.513 4.087 4.610 0.025 3 0 "[ . 1 . 2]" 1
396 1 17 HIS HA 1 17 HIS HB2 2.508 . 3.263 2.439 2.365 2.875 . 0 0 "[ . 1 . 2]" 1
397 1 17 HIS HA 1 17 HIS HB3 2.688 . 3.555 3.010 2.794 3.028 . 0 0 "[ . 1 . 2]" 1
398 1 17 HIS HA 1 17 HIS HD2 2.737 . 3.636 3.093 2.456 4.613 0.977 17 4 "[ . 1 ** + -]" 1
399 1 17 HIS HA 1 18 GLY H 2.288 . 2.916 2.173 2.122 2.314 . 0 0 "[ . 1 . 2]" 1
400 1 17 HIS HA 1 19 ARG H 2.993 . 4.068 3.337 2.797 3.734 . 0 0 "[ . 1 . 2]" 1
401 1 17 HIS HB2 1 18 GLY H 3.197 . 4.424 4.106 3.647 4.425 0.001 2 0 "[ . 1 . 2]" 1
402 1 17 HIS HB3 1 17 HIS HD2 3.454 2.022 4.886 3.653 2.639 3.977 . 0 0 "[ . 1 . 2]" 1
403 1 17 HIS HB3 1 18 GLY H 3.464 2.024 4.904 4.109 3.155 4.375 . 0 0 "[ . 1 . 2]" 1
404 1 17 HIS HB3 1 19 ARG H 3.543 2.037 5.049 3.821 3.592 4.122 . 0 0 "[ . 1 . 2]" 1
405 1 17 HIS HD2 1 18 GLY H 2.695 . 3.567 3.133 2.693 3.885 0.318 14 0 "[ . 1 . 2]" 1
406 1 17 HIS HD2 1 18 GLY HA3 3.189 . 4.409 4.411 4.226 4.519 0.110 17 0 "[ . 1 . 2]" 1
407 1 17 HIS HD2 1 19 ARG H 3.292 . 4.592 4.237 3.908 4.593 0.001 16 0 "[ . 1 . 2]" 1
408 1 17 HIS HD2 1 51 TRP HE1 4.233 2.083 6.383 5.791 5.192 6.274 . 0 0 "[ . 1 . 2]" 1
409 1 18 GLY H 1 18 GLY HA2 2.583 . 3.384 2.919 2.864 2.957 . 0 0 "[ . 1 . 2]" 1
410 1 18 GLY H 1 18 GLY HA3 2.372 . 3.047 2.357 2.305 2.440 . 0 0 "[ . 1 . 2]" 1
411 1 18 GLY H 1 19 ARG H 2.630 . 3.460 2.414 2.166 2.539 . 0 0 "[ . 1 . 2]" 1
412 1 18 GLY H 1 19 ARG HA 3.998 2.080 5.916 5.018 4.751 5.178 . 0 0 "[ . 1 . 2]" 1
413 1 18 GLY H 1 19 ARG HB2 4.120 2.083 6.157 4.637 4.437 4.896 . 0 0 "[ . 1 . 2]" 1
414 1 18 GLY H 1 19 ARG HG3 4.049 2.081 6.017 4.637 4.104 5.050 . 0 0 "[ . 1 . 2]" 1
415 1 18 GLY HA2 1 19 ARG H 2.972 . 4.032 3.252 3.050 3.478 . 0 0 "[ . 1 . 2]" 1
416 1 18 GLY HA3 1 19 ARG H 2.810 . 3.758 3.248 2.957 3.419 . 0 0 "[ . 1 . 2]" 1
417 1 19 ARG H 1 19 ARG HA 2.588 . 3.392 2.915 2.856 2.950 . 0 0 "[ . 1 . 2]" 1
418 1 19 ARG H 1 19 ARG HB2 2.448 . 3.167 2.440 2.295 2.600 . 0 0 "[ . 1 . 2]" 1
419 1 19 ARG H 1 19 ARG HB3 2.800 . 3.741 3.639 3.561 3.750 0.009 1 0 "[ . 1 . 2]" 1
420 1 19 ARG H 1 19 ARG HG2 3.007 . 4.092 3.873 3.360 4.118 0.026 8 0 "[ . 1 . 2]" 1
421 1 19 ARG H 1 19 ARG HG3 2.787 . 3.719 2.696 2.387 2.926 . 0 0 "[ . 1 . 2]" 1
422 1 19 ARG H 1 19 ARG HG3 2.460 . 3.186 2.406 1.748 2.682 . 0 0 "[ . 1 . 2]" 1
423 1 19 ARG HA 1 19 ARG HB2 2.496 . 3.244 3.017 3.004 3.032 . 0 0 "[ . 1 . 2]" 1
424 1 19 ARG HA 1 19 ARG HB3 2.625 . 3.452 2.508 2.432 2.578 . 0 0 "[ . 1 . 2]" 1
425 1 19 ARG HA 1 19 ARG HG2 2.407 . 3.102 2.551 2.387 2.692 . 0 0 "[ . 1 . 2]" 1
426 1 19 ARG HA 1 20 LYS H 2.098 . 2.626 2.271 2.151 2.658 0.032 16 0 "[ . 1 . 2]" 1
427 1 19 ARG HA 1 20 LYS HG3 3.109 . 4.269 3.687 3.255 4.692 0.423 6 0 "[ . 1 . 2]" 1
428 1 19 ARG HB2 1 19 ARG QD 2.653 . 3.498 2.368 2.259 2.677 . 0 0 "[ . 1 . 2]" 1
429 1 19 ARG HB2 1 19 ARG HG2 2.503 . 3.255 2.822 2.152 2.986 . 0 0 "[ . 1 . 2]" 1
430 1 19 ARG HB2 1 20 LYS H 3.003 . 4.085 3.886 3.296 4.129 0.044 5 0 "[ . 1 . 2]" 1
431 1 19 ARG HB2 1 21 PHE H 4.224 2.083 6.365 5.785 5.187 6.332 . 0 0 "[ . 1 . 2]" 1
432 1 19 ARG HB2 1 21 PHE QE 2.707 . 3.586 2.733 2.281 3.316 . 0 0 "[ . 1 . 2]" 1
433 1 19 ARG HB2 1 21 PHE HZ 2.995 . 4.071 3.671 3.017 3.972 . 0 0 "[ . 1 . 2]" 1
434 1 19 ARG HB3 1 19 ARG QD 2.925 . 3.952 2.466 2.227 3.006 . 0 0 "[ . 1 . 2]" 1
435 1 19 ARG HB3 1 19 ARG QD 2.370 . 3.044 2.118 2.005 2.176 . 0 0 "[ . 1 . 2]" 1
436 1 19 ARG HB3 1 19 ARG HG2 2.489 . 3.232 2.406 2.359 2.611 . 0 0 "[ . 1 . 2]" 1
437 1 19 ARG HB3 1 20 LYS H 2.534 . 3.304 2.763 2.246 3.301 . 0 0 "[ . 1 . 2]" 1
438 1 19 ARG HB3 1 21 PHE QD 2.937 . 3.972 3.350 2.358 4.065 0.093 16 0 "[ . 1 . 2]" 1
439 1 19 ARG HB3 1 21 PHE QE 2.802 . 3.744 3.452 2.926 4.029 0.285 16 0 "[ . 1 . 2]" 1
440 1 19 ARG HB3 1 21 PHE HZ 3.018 . 4.111 3.843 3.180 4.139 0.028 16 0 "[ . 1 . 2]" 1
441 1 19 ARG QD 1 19 ARG HG2 2.595 . 3.403 2.359 2.296 2.450 . 0 0 "[ . 1 . 2]" 1
442 1 19 ARG QD 1 19 ARG HG2 2.080 . 2.599 1.921 1.875 1.971 . 0 0 "[ . 1 . 2]" 1
443 1 19 ARG QD 1 19 ARG HG3 2.202 . 2.784 2.320 2.167 2.393 . 0 0 "[ . 1 . 2]" 1
444 1 19 ARG QD 1 20 LYS H 3.970 2.078 5.862 4.845 4.133 5.326 . 0 0 "[ . 1 . 2]" 1
445 1 19 ARG QD 1 21 PHE HZ 2.936 . 3.828 3.119 2.691 3.482 . 0 0 "[ . 1 . 2]" 1
446 1 19 ARG HG2 1 20 LYS H 2.541 . 3.316 3.405 3.146 3.568 0.252 16 0 "[ . 1 . 2]" 1
447 1 20 LYS H 1 20 LYS HA 2.895 . 3.901 2.937 2.919 2.952 . 0 0 "[ . 1 . 2]" 1
448 1 20 LYS H 1 20 LYS HB2 2.441 . 3.156 2.609 2.340 3.657 0.501 6 1 "[ .+ 1 . 2]" 1
449 1 20 LYS H 1 20 LYS HG2 3.149 . 4.339 3.927 2.097 4.265 . 0 0 "[ . 1 . 2]" 1
450 1 20 LYS H 1 20 LYS HG3 2.983 . 4.051 2.909 2.627 3.338 . 0 0 "[ . 1 . 2]" 1
451 1 20 LYS H 1 21 PHE H 3.571 2.041 5.101 4.324 4.129 4.476 . 0 0 "[ . 1 . 2]" 1
452 1 20 LYS H 1 21 PHE QD 4.156 2.084 6.228 4.809 4.494 5.093 . 0 0 "[ . 1 . 2]" 1
453 1 20 LYS H 1 21 PHE QE 3.989 2.080 5.898 5.042 4.576 5.441 . 0 0 "[ . 1 . 2]" 1
454 1 20 LYS HA 1 20 LYS HB2 2.656 . 3.502 2.996 2.540 3.025 . 0 0 "[ . 1 . 2]" 1
455 1 20 LYS HA 1 20 LYS HB3 2.665 . 3.517 2.483 2.336 2.587 . 0 0 "[ . 1 . 2]" 1
456 1 20 LYS HA 1 20 LYS HG2 2.758 . 3.671 2.624 2.465 3.657 . 0 0 "[ . 1 . 2]" 1
457 1 20 LYS HA 1 20 LYS HG3 2.790 . 3.724 3.044 2.761 3.720 . 0 0 "[ . 1 . 2]" 1
458 1 20 LYS HA 1 21 PHE H 2.277 . 2.899 2.133 2.066 2.215 . 0 0 "[ . 1 . 2]" 1
459 1 20 LYS HB2 1 20 LYS HG2 2.666 . 3.519 3.007 2.992 3.011 . 0 0 "[ . 1 . 2]" 1
460 1 20 LYS HB2 1 20 LYS HG3 2.470 . 3.202 2.466 2.385 2.534 . 0 0 "[ . 1 . 2]" 1
461 1 20 LYS HB2 1 21 PHE H 3.171 . 4.377 4.148 3.180 4.442 0.065 4 0 "[ . 1 . 2]" 1
462 1 20 LYS HB3 1 20 LYS HG2 2.692 . 3.562 2.417 2.355 2.499 . 0 0 "[ . 1 . 2]" 1
463 1 20 LYS HB3 1 20 LYS HG3 2.459 . 3.184 3.005 2.970 3.013 . 0 0 "[ . 1 . 2]" 1
464 1 20 LYS HB3 1 21 PHE H 2.877 . 3.870 3.314 2.741 3.972 0.102 6 0 "[ . 1 . 2]" 1
465 1 20 LYS QD 1 20 LYS QE 2.375 . 3.052 2.052 1.993 2.092 . 0 0 "[ . 1 . 2]" 1
466 1 20 LYS QE 1 20 LYS HG2 2.664 . 3.516 2.569 2.320 3.298 . 0 0 "[ . 1 . 2]" 1
467 1 20 LYS QE 1 20 LYS HG3 2.768 . 3.687 2.679 2.354 3.418 . 0 0 "[ . 1 . 2]" 1
468 1 20 LYS HG2 1 21 PHE H 3.200 . 4.429 4.374 4.017 5.176 0.747 6 1 "[ .+ 1 . 2]" 1
469 1 21 PHE H 1 21 PHE HB2 2.710 . 3.591 2.555 2.433 2.726 . 0 0 "[ . 1 . 2]" 1
470 1 21 PHE H 1 21 PHE HB3 2.920 . 3.943 3.721 3.648 3.827 . 0 0 "[ . 1 . 2]" 1
471 1 21 PHE H 1 21 PHE QD 2.750 . 3.658 2.693 2.264 3.564 . 0 0 "[ . 1 . 2]" 1
472 1 21 PHE H 1 22 VAL H 3.628 2.048 5.208 4.419 4.304 4.533 . 0 0 "[ . 1 . 2]" 1
473 1 21 PHE H 1 22 VAL HA 4.097 2.083 6.111 4.977 4.711 5.385 . 0 0 "[ . 1 . 2]" 1
474 1 21 PHE H 1 51 TRP HZ2 3.742 2.062 5.422 3.881 2.957 5.286 . 0 0 "[ . 1 . 2]" 1
475 1 21 PHE HA 1 21 PHE HB2 2.750 . 3.657 3.027 3.011 3.045 . 0 0 "[ . 1 . 2]" 1
476 1 21 PHE HA 1 21 PHE HB3 2.511 . 3.268 2.492 2.450 2.536 . 0 0 "[ . 1 . 2]" 1
477 1 21 PHE HA 1 21 PHE QD 2.829 . 3.790 2.962 2.483 3.096 . 0 0 "[ . 1 . 2]" 1
478 1 21 PHE HA 1 22 VAL H 2.393 . 3.080 2.384 2.115 2.778 . 0 0 "[ . 1 . 2]" 1
479 1 21 PHE HA 1 25 LYS H 4.180 2.083 6.277 6.230 5.802 6.521 0.244 12 0 "[ . 1 . 2]" 1
480 1 21 PHE HB2 1 21 PHE QD 2.507 . 3.261 2.403 2.302 2.471 . 0 0 "[ . 1 . 2]" 1
481 1 21 PHE HB2 1 22 VAL H 3.006 . 4.091 3.681 2.993 4.210 0.119 4 0 "[ . 1 . 2]" 1
482 1 21 PHE HB2 1 25 LYS HB2 3.128 . 4.302 3.747 3.131 4.444 0.142 12 0 "[ . 1 . 2]" 1
483 1 21 PHE HB2 1 46 CYS HB2 3.239 . 4.498 3.897 3.299 5.011 0.513 11 1 "[ . 1+ . 2]" 1
484 1 21 PHE HB2 1 51 TRP HZ2 3.083 . 4.224 3.341 2.851 4.075 . 0 0 "[ . 1 . 2]" 1
485 1 21 PHE HB3 1 21 PHE QD 2.448 . 3.167 2.384 2.321 2.627 . 0 0 "[ . 1 . 2]" 1
486 1 21 PHE HB3 1 22 VAL H 2.720 . 3.608 2.583 1.873 3.352 . 0 0 "[ . 1 . 2]" 1
487 1 21 PHE HB3 1 25 LYS H 3.523 2.034 5.012 4.379 4.192 4.692 . 0 0 "[ . 1 . 2]" 1
488 1 21 PHE HB3 1 25 LYS HB2 2.743 . 3.646 2.407 1.923 3.567 . 0 0 "[ . 1 . 2]" 1
489 1 21 PHE HB3 1 25 LYS HB3 2.754 . 3.664 2.847 2.238 3.543 . 0 0 "[ . 1 . 2]" 1
490 1 21 PHE HB3 1 25 LYS QD 2.946 . 3.987 3.366 2.588 4.059 0.072 10 0 "[ . 1 . 2]" 1
491 1 21 PHE HB3 1 26 SER H 4.006 2.080 5.932 4.431 2.777 4.937 . 0 0 "[ . 1 . 2]" 1
492 1 21 PHE HB3 1 46 CYS HB2 3.344 2.002 4.686 4.390 3.694 4.914 0.228 12 0 "[ . 1 . 2]" 1
493 1 21 PHE QD 1 22 VAL H 3.191 . 4.413 3.842 3.498 4.360 . 0 0 "[ . 1 . 2]" 1
494 1 21 PHE QD 1 25 LYS H 4.083 2.082 6.084 5.710 5.385 6.124 0.040 16 0 "[ . 1 . 2]" 1
495 1 21 PHE QD 1 25 LYS HB2 3.094 . 4.243 3.657 3.234 4.213 . 0 0 "[ . 1 . 2]" 1
496 1 21 PHE QD 1 25 LYS HB3 3.030 . 4.132 2.977 2.294 4.124 . 0 0 "[ . 1 . 2]" 1
497 1 21 PHE QD 1 25 LYS QD 3.269 . 4.552 2.704 1.977 4.475 0.009 19 0 "[ . 1 . 2]" 1
498 1 21 PHE QD 1 25 LYS QG 3.184 . 4.401 3.551 2.364 4.451 0.050 16 0 "[ . 1 . 2]" 1
499 1 21 PHE QD 1 51 TRP HZ2 2.452 . 3.174 2.250 1.959 2.658 . 0 0 "[ . 1 . 2]" 1
500 1 21 PHE QE 1 27 ILE HB 3.110 . 4.271 3.808 3.195 4.319 0.048 12 0 "[ . 1 . 2]" 1
501 1 21 PHE HZ 1 27 ILE HB 3.226 . 4.475 4.146 3.525 4.594 0.119 16 0 "[ . 1 . 2]" 1
502 1 21 PHE HZ 1 27 ILE HG12 3.042 . 4.153 3.697 2.747 5.134 0.981 10 2 "[ . - + . 2]" 1
503 1 22 VAL H 1 22 VAL HA 2.740 . 3.641 2.896 2.765 2.950 . 0 0 "[ . 1 . 2]" 1
504 1 22 VAL H 1 22 VAL HB 2.492 . 3.237 2.783 2.267 3.166 . 0 0 "[ . 1 . 2]" 1
505 1 22 VAL H 1 22 VAL MG1 2.101 . 2.631 2.124 1.928 2.426 . 0 0 "[ . 1 . 2]" 1
506 1 22 VAL H 1 25 LYS QD 3.748 2.062 5.434 3.385 2.076 5.005 . 0 0 "[ . 1 . 2]" 1
507 1 22 VAL H 1 25 LYS QG 3.098 . 4.250 2.959 1.977 3.876 . 0 0 "[ . 1 . 2]" 1
508 1 22 VAL HA 1 22 VAL HB 2.214 . 2.802 2.491 2.411 2.534 . 0 0 "[ . 1 . 2]" 1
509 1 22 VAL HA 1 22 VAL MG2 2.119 . 2.658 2.340 2.281 2.441 . 0 0 "[ . 1 . 2]" 1
510 1 22 VAL HA 1 23 GLN H 2.218 . 2.808 2.314 2.194 2.470 . 0 0 "[ . 1 . 2]" 1
511 1 22 VAL HB 1 22 VAL QG 1.900 . 2.333 1.893 1.889 1.897 . 0 0 "[ . 1 . 2]" 1
512 1 22 VAL MG1 1 25 LYS H 3.151 . 4.343 3.354 2.622 3.576 . 0 0 "[ . 1 . 2]" 1
513 1 22 VAL MG1 1 25 LYS QD 2.679 . 3.540 2.890 1.936 3.668 0.128 18 0 "[ . 1 . 2]" 1
514 1 22 VAL MG1 1 25 LYS QE 2.916 . 3.937 2.956 1.838 4.211 0.274 12 0 "[ . 1 . 2]" 1
515 1 22 VAL MG1 1 25 LYS QG 2.184 . 2.756 2.092 1.797 2.524 . 0 0 "[ . 1 . 2]" 1
516 1 22 VAL MG2 1 23 GLN H 2.434 . 3.145 2.078 1.712 2.423 0.011 20 0 "[ . 1 . 2]" 1
517 1 23 GLN H 1 23 GLN HA 2.356 . 3.022 2.750 2.667 2.900 . 0 0 "[ . 1 . 2]" 1
518 1 23 GLN H 1 23 GLN HB2 2.387 . 3.070 2.388 1.967 2.661 . 0 0 "[ . 1 . 2]" 1
519 1 23 GLN H 1 23 GLN HB3 2.446 . 3.164 2.651 2.395 3.238 0.074 17 0 "[ . 1 . 2]" 1
520 1 23 GLN H 1 23 GLN HE22 3.943 2.077 5.809 6.069 5.496 6.464 0.655 6 4 "[ *+ 1-* . 2]" 1
521 1 23 GLN H 1 24 GLY H 3.517 2.032 5.002 4.517 4.436 4.589 . 0 0 "[ . 1 . 2]" 1
522 1 23 GLN H 1 46 CYS HB3 3.971 2.079 5.863 4.392 4.143 4.980 . 0 0 "[ . 1 . 2]" 1
523 1 23 GLN HA 1 23 GLN HB2 2.560 . 3.347 2.508 2.382 2.842 . 0 0 "[ . 1 . 2]" 1
524 1 23 GLN HA 1 23 GLN HB3 2.544 . 3.321 3.010 2.838 3.033 . 0 0 "[ . 1 . 2]" 1
525 1 23 GLN HA 1 23 GLN QG 2.327 . 2.977 2.478 2.213 2.654 . 0 0 "[ . 1 . 2]" 1
526 1 23 GLN HA 1 24 GLY H 2.022 . 2.513 2.148 2.126 2.209 . 0 0 "[ . 1 . 2]" 1
527 1 23 GLN HA 1 25 LYS H 2.753 . 3.663 3.458 3.278 3.595 . 0 0 "[ . 1 . 2]" 1
528 1 23 GLN HA 1 46 CYS H 3.301 . 4.609 4.603 4.323 4.725 0.116 12 0 "[ . 1 . 2]" 1
529 1 23 GLN HA 1 46 CYS HB2 2.862 . 3.845 3.509 2.060 3.934 0.089 20 0 "[ . 1 . 2]" 1
530 1 23 GLN HA 1 46 CYS HB3 2.438 . 3.152 2.218 1.800 2.584 . 0 0 "[ . 1 . 2]" 1
531 1 23 GLN HB2 1 23 GLN HE22 3.007 . 4.092 3.856 3.358 4.311 0.219 9 0 "[ . 1 . 2]" 1
532 1 23 GLN HB2 1 24 GLY H 3.140 . 4.323 4.290 4.154 4.451 0.128 17 0 "[ . 1 . 2]" 1
533 1 23 GLN HB2 1 24 GLY H 2.942 . 3.981 3.524 1.910 3.884 . 0 0 "[ . 1 . 2]" 1
534 1 23 GLN HB3 1 24 GLY H 3.227 . 4.476 4.144 3.592 4.415 . 0 0 "[ . 1 . 2]" 1
535 1 23 GLN HE21 1 23 GLN QG 2.932 . 3.963 2.287 2.115 2.763 . 0 0 "[ . 1 . 2]" 1
536 1 23 GLN HE21 1 48 GLU H 3.844 2.071 5.617 4.327 3.342 5.467 . 0 0 "[ . 1 . 2]" 1
537 1 23 GLN HE21 1 48 GLU HA 2.789 . 3.722 2.072 1.515 3.037 0.341 19 0 "[ . 1 . 2]" 1
538 1 23 GLN HE21 1 48 GLU HB2 3.086 . 4.229 4.203 2.509 4.764 0.535 18 4 "[ * . 1 - * + 2]" 1
539 1 23 GLN HE21 1 48 GLU QG 2.988 . 4.059 3.673 2.851 4.104 0.045 17 0 "[ . 1 . 2]" 1
540 1 23 GLN HE21 1 50 GLY H 4.037 2.081 5.993 4.710 3.523 6.456 0.463 2 0 "[ . 1 . 2]" 1
541 1 23 GLN HE22 1 48 GLU H 3.728 2.060 5.396 4.932 3.961 5.499 0.103 3 0 "[ . 1 . 2]" 1
542 1 23 GLN HE22 1 48 GLU HB2 3.378 2.009 4.747 3.982 3.051 4.788 0.041 20 0 "[ . 1 . 2]" 1
543 1 23 GLN HE22 1 48 GLU QG 2.981 . 4.047 3.013 2.194 3.876 . 0 0 "[ . 1 . 2]" 1
544 1 23 GLN QG 1 24 GLY H 2.945 . 3.986 2.870 2.490 3.256 . 0 0 "[ . 1 . 2]" 1
545 1 23 GLN QG 1 47 MET HA 2.958 . 4.008 3.533 2.841 4.082 0.074 2 0 "[ . 1 . 2]" 1
546 1 23 GLN HG3 1 46 CYS H 3.906 2.075 5.737 4.744 4.441 5.050 . 0 0 "[ . 1 . 2]" 1
547 1 24 GLY H 1 24 GLY HA3 2.421 . 3.124 2.427 2.341 2.507 . 0 0 "[ . 1 . 2]" 1
548 1 24 GLY H 1 25 LYS H 2.629 . 3.458 2.486 2.241 2.735 . 0 0 "[ . 1 . 2]" 1
549 1 24 GLY H 1 25 LYS HA 4.221 2.083 6.359 4.950 4.748 5.193 . 0 0 "[ . 1 . 2]" 1
550 1 24 GLY H 1 25 LYS QG 4.199 2.084 6.314 4.937 3.797 5.694 . 0 0 "[ . 1 . 2]" 1
551 1 24 GLY H 1 45 THR HA 3.939 2.077 5.801 4.416 4.255 4.580 . 0 0 "[ . 1 . 2]" 1
552 1 24 GLY H 1 46 CYS H 3.526 2.034 5.018 3.628 3.431 3.829 . 0 0 "[ . 1 . 2]" 1
553 1 24 GLY H 1 46 CYS HB2 3.112 . 4.274 3.829 1.913 4.281 0.037 11 0 "[ . 1 . 2]" 1
554 1 24 GLY H 1 46 CYS HB3 2.923 . 3.948 2.451 1.909 3.671 . 0 0 "[ . 1 . 2]" 1
555 1 24 GLY H 1 47 MET HA 3.757 2.063 5.451 4.082 3.759 4.412 . 0 0 "[ . 1 . 2]" 1
556 1 24 GLY HA3 1 25 LYS H 2.904 . 3.916 3.435 3.340 3.525 . 0 0 "[ . 1 . 2]" 1
557 1 24 GLY HA3 1 46 CYS H 4.362 2.079 6.645 4.924 4.232 5.270 . 0 0 "[ . 1 . 2]" 1
558 1 25 LYS H 1 25 LYS HA 2.701 . 3.576 2.884 2.824 2.929 . 0 0 "[ . 1 . 2]" 1
559 1 25 LYS H 1 25 LYS HB2 2.441 . 3.156 2.337 2.174 3.461 0.305 12 0 "[ . 1 . 2]" 1
560 1 25 LYS H 1 25 LYS HB3 2.604 . 3.418 3.498 2.953 3.607 0.189 1 0 "[ . 1 . 2]" 1
561 1 25 LYS H 1 25 LYS QG 2.680 . 3.542 2.793 1.779 3.379 0.039 12 0 "[ . 1 . 2]" 1
562 1 25 LYS H 1 26 SER H 3.372 2.007 4.737 4.546 4.476 4.578 . 0 0 "[ . 1 . 2]" 1
563 1 25 LYS H 1 26 SER HA 4.223 2.083 6.363 5.320 5.173 5.474 . 0 0 "[ . 1 . 2]" 1
564 1 25 LYS H 1 45 THR HB 3.973 2.079 5.867 5.054 4.607 5.524 . 0 0 "[ . 1 . 2]" 1
565 1 25 LYS H 1 46 CYS H 3.339 2.001 4.677 3.782 3.452 4.074 . 0 0 "[ . 1 . 2]" 1
566 1 25 LYS H 1 46 CYS HB2 3.026 . 4.125 3.947 2.349 4.211 0.086 15 0 "[ . 1 . 2]" 1
567 1 25 LYS H 1 46 CYS HB3 2.919 . 3.941 3.081 2.557 4.140 0.199 10 0 "[ . 1 . 2]" 1
568 1 25 LYS HA 1 25 LYS HB2 2.506 . 3.259 2.973 2.625 3.015 . 0 0 "[ . 1 . 2]" 1
569 1 25 LYS HA 1 25 LYS HB3 2.500 . 3.250 2.585 2.288 2.772 . 0 0 "[ . 1 . 2]" 1
570 1 25 LYS HA 1 25 LYS QG 3.005 . 4.088 2.505 2.175 3.420 . 0 0 "[ . 1 . 2]" 1
571 1 25 LYS HA 1 26 SER H 2.143 . 2.694 2.276 2.081 2.413 . 0 0 "[ . 1 . 2]" 1
572 1 25 LYS HA 1 26 SER HA 3.278 . 4.568 4.411 4.343 4.480 . 0 0 "[ . 1 . 2]" 1
573 1 25 LYS HA 1 26 SER HB2 3.164 . 4.365 4.354 4.198 4.446 0.081 8 0 "[ . 1 . 2]" 1
574 1 25 LYS HA 1 26 SER HB3 3.149 . 4.339 4.389 4.294 4.461 0.122 2 0 "[ . 1 . 2]" 1
575 1 25 LYS HA 1 27 ILE H 4.233 2.083 6.383 6.232 6.113 6.324 . 0 0 "[ . 1 . 2]" 1
576 1 25 LYS HA 1 46 CYS H 4.307 2.081 6.533 4.958 4.782 5.159 . 0 0 "[ . 1 . 2]" 1
577 1 25 LYS HB2 1 25 LYS QG 2.219 . 2.810 2.227 2.151 2.312 . 0 0 "[ . 1 . 2]" 1
578 1 25 LYS HB2 1 26 SER H 3.171 . 4.378 3.842 2.264 4.309 . 0 0 "[ . 1 . 2]" 1
579 1 25 LYS HB2 1 46 CYS H 3.890 2.074 5.706 4.403 3.939 4.952 . 0 0 "[ . 1 . 2]" 1
580 1 25 LYS HB3 1 25 LYS QG 2.224 . 2.818 2.380 2.170 2.435 . 0 0 "[ . 1 . 2]" 1
581 1 25 LYS HB3 1 26 SER H 2.676 . 3.536 2.696 2.288 3.319 . 0 0 "[ . 1 . 2]" 1
582 1 25 LYS HB3 1 27 ILE H 4.341 2.080 6.602 5.965 5.698 6.881 0.279 12 0 "[ . 1 . 2]" 1
583 1 25 LYS QD 1 25 LYS QE 2.341 . 2.999 2.019 1.990 2.091 . 0 0 "[ . 1 . 2]" 1
584 1 25 LYS QD 1 25 LYS QG 2.199 . 2.779 2.078 2.018 2.090 . 0 0 "[ . 1 . 2]" 1
585 1 25 LYS QD 1 26 SER H 2.977 . 4.040 3.613 2.696 4.131 0.091 1 0 "[ . 1 . 2]" 1
586 1 25 LYS QE 1 25 LYS QG 2.550 . 3.331 2.304 2.036 2.570 . 0 0 "[ . 1 . 2]" 1
587 1 25 LYS QG 1 26 SER H 3.259 . 4.533 3.804 2.856 4.399 . 0 0 "[ . 1 . 2]" 1
588 1 25 LYS QG 1 46 CYS H 4.351 2.079 6.623 5.660 4.458 6.085 . 0 0 "[ . 1 . 2]" 1
589 1 26 SER H 1 26 SER HA 2.603 . 3.416 2.937 2.908 2.947 . 0 0 "[ . 1 . 2]" 1
590 1 26 SER H 1 26 SER HB2 2.559 . 3.345 3.167 2.919 3.299 . 0 0 "[ . 1 . 2]" 1
591 1 26 SER H 1 26 SER HB3 2.531 . 3.300 2.632 2.486 2.784 . 0 0 "[ . 1 . 2]" 1
592 1 26 SER H 1 27 ILE H 3.587 2.043 5.131 4.410 4.280 4.451 . 0 0 "[ . 1 . 2]" 1
593 1 26 SER H 1 45 THR HB 3.841 2.071 5.611 4.453 3.972 4.748 . 0 0 "[ . 1 . 2]" 1
594 1 26 SER H 1 45 THR MG 3.671 2.054 5.288 4.639 4.174 5.336 0.048 1 0 "[ . 1 . 2]" 1
595 1 26 SER HA 1 26 SER HB2 2.358 . 3.025 2.430 2.403 2.463 . 0 0 "[ . 1 . 2]" 1
596 1 26 SER HA 1 26 SER HB3 2.466 . 3.196 3.024 3.006 3.033 . 0 0 "[ . 1 . 2]" 1
597 1 26 SER HA 1 27 ILE H 2.108 . 2.641 2.423 2.242 2.547 . 0 0 "[ . 1 . 2]" 1
598 1 26 SER HA 1 27 ILE MG 3.117 . 4.283 3.461 3.270 3.603 . 0 0 "[ . 1 . 2]" 1
599 1 26 SER HA 1 44 VAL H 3.546 2.037 5.055 4.628 4.401 4.833 . 0 0 "[ . 1 . 2]" 1
600 1 26 SER HA 1 45 THR H 3.876 2.073 5.679 4.597 4.485 4.730 . 0 0 "[ . 1 . 2]" 1
601 1 26 SER HA 1 45 THR HB 2.135 . 2.682 2.597 1.751 2.802 0.120 16 0 "[ . 1 . 2]" 1
602 1 26 SER HA 1 45 THR MG 2.626 . 3.454 2.663 2.117 3.523 0.069 2 0 "[ . 1 . 2]" 1
603 1 26 SER HA 1 46 CYS H 2.962 . 4.015 3.466 3.252 3.921 . 0 0 "[ . 1 . 2]" 1
604 1 26 SER HA 1 51 TRP HZ3 3.085 . 4.227 2.999 2.731 3.426 . 0 0 "[ . 1 . 2]" 1
605 1 26 SER HB2 1 27 ILE H 2.647 . 3.488 3.706 3.655 3.745 0.257 12 0 "[ . 1 . 2]" 1
606 1 26 SER HB2 1 45 THR HB 3.130 . 4.306 2.596 1.914 2.902 0.040 17 0 "[ . 1 . 2]" 1
607 1 26 SER HB2 1 46 CYS H 3.972 2.078 5.866 4.561 4.295 4.931 . 0 0 "[ . 1 . 2]" 1
608 1 26 SER HB3 1 27 ILE H 2.707 . 3.586 3.552 3.484 3.700 0.114 12 0 "[ . 1 . 2]" 1
609 1 26 SER HB3 1 44 VAL H 3.982 2.079 5.885 5.938 5.506 6.232 0.347 5 0 "[ . 1 . 2]" 1
610 1 26 SER HB3 1 45 THR HB 3.219 . 4.462 4.204 3.416 4.484 0.022 16 0 "[ . 1 . 2]" 1
611 1 27 ILE H 1 27 ILE HA 2.877 . 3.870 2.834 2.778 2.877 . 0 0 "[ . 1 . 2]" 1
612 1 27 ILE H 1 27 ILE HB 2.834 . 3.798 3.528 3.447 3.631 . 0 0 "[ . 1 . 2]" 1
613 1 27 ILE H 1 27 ILE MG 2.518 . 3.279 2.684 2.516 2.884 . 0 0 "[ . 1 . 2]" 1
614 1 27 ILE H 1 28 ASP H 3.474 2.025 4.923 4.131 3.984 4.253 . 0 0 "[ . 1 . 2]" 1
615 1 27 ILE H 1 28 ASP HA 3.844 2.071 5.617 4.500 4.303 4.620 . 0 0 "[ . 1 . 2]" 1
616 1 27 ILE H 1 29 VAL H 3.643 2.051 5.235 4.292 4.032 4.399 . 0 0 "[ . 1 . 2]" 1
617 1 27 ILE H 1 43 THR HA 3.407 2.014 4.800 4.333 3.865 4.584 . 0 0 "[ . 1 . 2]" 1
618 1 27 ILE H 1 43 THR HB 3.103 . 4.258 4.188 3.547 4.370 0.112 15 0 "[ . 1 . 2]" 1
619 1 27 ILE H 1 43 THR MG 2.834 . 3.798 2.821 2.098 4.071 0.273 13 0 "[ . 1 . 2]" 1
620 1 27 ILE H 1 44 VAL H 2.700 . 3.575 2.792 2.532 3.003 . 0 0 "[ . 1 . 2]" 1
621 1 27 ILE H 1 44 VAL HB 4.283 2.081 6.485 5.780 5.576 5.894 . 0 0 "[ . 1 . 2]" 1
622 1 27 ILE H 1 44 VAL QG 4.111 2.083 6.139 3.571 3.388 3.681 . 0 0 "[ . 1 . 2]" 1
623 1 27 ILE H 1 51 TRP HZ3 3.579 2.041 5.117 4.054 3.557 4.693 . 0 0 "[ . 1 . 2]" 1
624 1 27 ILE HA 1 27 ILE HB 2.468 . 3.199 2.447 2.416 2.506 . 0 0 "[ . 1 . 2]" 1
625 1 27 ILE HA 1 27 ILE MD 2.385 . 3.067 2.145 1.902 3.196 0.129 8 0 "[ . 1 . 2]" 1
626 1 27 ILE HA 1 27 ILE HG12 3.067 . 4.196 3.592 2.279 3.786 . 0 0 "[ . 1 . 2]" 1
627 1 27 ILE HA 1 27 ILE HG13 2.947 . 3.989 3.060 2.893 3.554 . 0 0 "[ . 1 . 2]" 1
628 1 27 ILE HA 1 27 ILE MG 2.914 . 3.933 3.217 3.211 3.226 . 0 0 "[ . 1 . 2]" 1
629 1 27 ILE HA 1 28 ASP H 2.107 . 2.640 2.179 2.115 2.285 . 0 0 "[ . 1 . 2]" 1
630 1 27 ILE HA 1 44 VAL H 4.094 2.082 6.106 4.674 4.558 4.757 . 0 0 "[ . 1 . 2]" 1
631 1 27 ILE HB 1 27 ILE MD 2.257 . 2.868 2.458 2.339 3.161 0.293 10 0 "[ . 1 . 2]" 1
632 1 27 ILE HB 1 27 ILE HG12 2.450 . 3.170 2.507 2.464 2.597 . 0 0 "[ . 1 . 2]" 1
633 1 27 ILE HB 1 27 ILE HG13 2.482 . 3.221 2.948 2.291 3.026 . 0 0 "[ . 1 . 2]" 1
634 1 27 ILE HB 1 27 ILE MG 2.066 . 2.578 2.123 2.109 2.129 . 0 0 "[ . 1 . 2]" 1
635 1 27 ILE HB 1 28 ASP H 2.961 . 4.013 4.088 4.035 4.145 0.132 8 0 "[ . 1 . 2]" 1
636 1 27 ILE HB 1 44 VAL H 3.929 2.077 5.781 5.446 5.188 5.656 . 0 0 "[ . 1 . 2]" 1
637 1 27 ILE MD 1 27 ILE HG12 2.333 . 2.986 2.117 2.101 2.121 . 0 0 "[ . 1 . 2]" 1
638 1 27 ILE MD 1 27 ILE HG13 2.435 . 3.147 2.120 2.110 2.124 . 0 0 "[ . 1 . 2]" 1
639 1 27 ILE MD 1 28 ASP H 2.618 . 3.441 2.161 1.931 2.490 . 0 0 "[ . 1 . 2]" 1
640 1 27 ILE HG12 1 27 ILE MG 2.119 . 2.658 2.377 2.255 3.159 0.501 10 1 "[ . + . 2]" 1
641 1 27 ILE HG12 1 28 ASP H 3.033 . 4.137 3.945 2.526 4.200 0.063 6 0 "[ . 1 . 2]" 1
642 1 27 ILE HG13 1 27 ILE MG 2.343 . 3.002 2.473 2.412 2.584 . 0 0 "[ . 1 . 2]" 1
643 1 27 ILE HG13 1 28 ASP H 2.783 . 3.712 2.765 2.181 4.145 0.433 10 0 "[ . 1 . 2]" 1
644 1 27 ILE MG 1 44 VAL H 3.000 . 4.080 3.279 2.934 3.652 . 0 0 "[ . 1 . 2]" 1
645 1 27 ILE MG 1 44 VAL QG 2.166 . 2.729 2.180 1.962 2.587 . 0 0 "[ . 1 . 2]" 1
646 1 27 ILE MG 1 45 THR H 3.330 . 4.661 2.399 2.227 2.809 . 0 0 "[ . 1 . 2]" 1
647 1 27 ILE MG 1 46 CYS H 4.054 2.081 6.027 4.240 4.052 4.358 . 0 0 "[ . 1 . 2]" 1
648 1 27 ILE MG 1 51 TRP HZ3 3.041 . 4.151 2.659 2.333 3.161 . 0 0 "[ . 1 . 2]" 1
649 1 28 ASP H 1 28 ASP HA 2.835 . 3.799 2.884 2.839 2.908 . 0 0 "[ . 1 . 2]" 1
650 1 28 ASP H 1 28 ASP QB 2.467 . 3.197 2.713 2.474 2.858 . 0 0 "[ . 1 . 2]" 1
651 1 28 ASP H 1 28 ASP HB3 2.343 . 3.002 2.916 2.695 3.663 0.661 15 2 "[ .- 1 + 2]" 1
652 1 28 ASP H 1 43 THR HB 3.406 2.014 4.798 4.877 3.015 5.047 0.249 2 0 "[ . 1 . 2]" 1
653 1 28 ASP H 1 43 THR MG 2.788 . 3.721 2.984 2.704 3.945 0.224 13 0 "[ . 1 . 2]" 1
654 1 28 ASP H 1 44 VAL H 3.500 2.030 4.970 3.885 3.684 4.187 . 0 0 "[ . 1 . 2]" 1
655 1 28 ASP H 1 43 THR HA 3.719 2.059 5.379 4.278 3.838 4.489 . 0 0 "[ . 1 . 2]" 1
656 1 28 ASP H 1 43 THR HB 4.144 2.083 6.205 5.672 3.648 6.127 . 0 0 "[ . 1 . 2]" 1
657 1 28 ASP HA 1 28 ASP HB2 2.533 . 3.303 2.550 2.412 3.029 . 0 0 "[ . 1 . 2]" 1
658 1 28 ASP HA 1 28 ASP HB3 2.477 . 3.213 2.416 2.335 2.494 . 0 0 "[ . 1 . 2]" 1
659 1 28 ASP HA 1 29 VAL H 2.255 . 2.865 2.151 2.084 2.261 . 0 0 "[ . 1 . 2]" 1
660 1 28 ASP HA 1 29 VAL HA 3.256 . 4.528 4.354 4.318 4.392 . 0 0 "[ . 1 . 2]" 1
661 1 28 ASP HA 1 43 THR H 3.779 2.065 5.493 4.310 3.839 4.527 . 0 0 "[ . 1 . 2]" 1
662 1 28 ASP HA 1 43 THR MG 2.363 . 3.033 2.240 1.968 3.290 0.257 13 0 "[ . 1 . 2]" 1
663 1 28 ASP QB 1 43 THR H 3.291 . 4.591 4.142 3.935 4.600 0.009 18 0 "[ . 1 . 2]" 1
664 1 28 ASP HB2 1 29 VAL H 2.954 . 4.001 3.150 2.656 4.289 0.288 6 0 "[ . 1 . 2]" 1
665 1 28 ASP HB2 1 42 THR HB 3.119 . 4.287 3.588 3.120 4.303 0.016 15 0 "[ . 1 . 2]" 1
666 1 28 ASP HB2 1 43 THR MG 3.187 . 4.406 3.378 2.918 4.417 0.011 13 0 "[ . 1 . 2]" 1
667 1 28 ASP HB3 1 29 VAL H 3.107 . 4.265 3.932 3.247 4.266 0.001 2 0 "[ . 1 . 2]" 1
668 1 28 ASP HB3 1 42 THR HB 3.042 . 4.152 4.075 2.472 4.343 0.191 19 0 "[ . 1 . 2]" 1
669 1 28 ASP HB3 1 43 THR MG 3.070 . 4.201 2.420 1.937 3.831 0.002 5 0 "[ . 1 . 2]" 1
670 1 29 VAL H 1 29 VAL HA 2.652 . 3.496 2.930 2.887 2.952 . 0 0 "[ . 1 . 2]" 1
671 1 29 VAL H 1 29 VAL HB 2.502 . 3.253 2.601 2.367 3.118 . 0 0 "[ . 1 . 2]" 1
672 1 29 VAL H 1 29 VAL QG 2.372 . 3.047 2.447 1.932 2.801 . 0 0 "[ . 1 . 2]" 1
673 1 29 VAL H 1 30 ALA H 4.008 2.080 5.936 4.395 4.115 4.508 . 0 0 "[ . 1 . 2]" 1
674 1 29 VAL H 1 37 LEU QD 3.321 . 4.644 3.330 2.593 4.022 . 0 0 "[ . 1 . 2]" 1
675 1 29 VAL H 1 42 THR HA 3.657 2.052 5.262 4.029 3.670 4.550 . 0 0 "[ . 1 . 2]" 1
676 1 29 VAL H 1 42 THR HB 3.569 2.040 5.098 4.285 3.596 5.169 0.071 18 0 "[ . 1 . 2]" 1
677 1 29 VAL H 1 42 THR MG 3.993 2.080 5.906 5.104 4.442 5.759 . 0 0 "[ . 1 . 2]" 1
678 1 29 VAL H 1 43 THR H 4.305 2.081 6.529 4.358 3.762 4.967 . 0 0 "[ . 1 . 2]" 1
679 1 29 VAL H 1 43 THR HA 2.804 . 3.748 2.620 1.845 3.115 0.015 13 0 "[ . 1 . 2]" 1
680 1 29 VAL H 1 43 THR MG 3.343 2.002 4.684 3.880 3.542 4.248 . 0 0 "[ . 1 . 2]" 1
681 1 29 VAL H 1 44 VAL H 3.667 2.054 5.280 4.139 3.824 4.601 . 0 0 "[ . 1 . 2]" 1
682 1 29 VAL H 1 44 VAL QG 3.285 . 4.580 3.674 2.973 4.303 . 0 0 "[ . 1 . 2]" 1
683 1 29 VAL HA 1 29 VAL HB 2.630 . 3.460 2.987 2.364 3.024 . 0 0 "[ . 1 . 2]" 1
684 1 29 VAL HA 1 29 VAL QG 2.202 . 2.784 2.140 2.113 2.373 . 0 0 "[ . 1 . 2]" 1
685 1 29 VAL HA 1 30 ALA H 1.982 . 2.453 2.123 2.085 2.173 . 0 0 "[ . 1 . 2]" 1
686 1 29 VAL HA 1 30 ALA HA 3.078 . 4.215 4.341 4.318 4.372 0.157 11 0 "[ . 1 . 2]" 1
687 1 29 VAL HA 1 31 CYS H 4.140 2.083 6.197 5.439 3.590 6.224 0.027 3 0 "[ . 1 . 2]" 1
688 1 29 VAL HA 1 44 VAL QG 3.156 . 4.352 4.256 3.898 4.414 0.062 3 0 "[ . 1 . 2]" 1
689 1 29 VAL HB 1 29 VAL QG 1.989 . 2.464 1.895 1.890 1.898 . 0 0 "[ . 1 . 2]" 1
690 1 29 VAL HB 1 30 ALA H 3.695 2.057 5.333 4.173 3.944 4.370 . 0 0 "[ . 1 . 2]" 1
691 1 29 VAL HB 1 37 LEU QD 2.084 . 2.605 1.757 1.459 1.891 0.104 18 0 "[ . 1 . 2]" 1
692 1 29 VAL HB 1 44 VAL H 4.280 2.082 6.478 5.317 4.755 5.704 . 0 0 "[ . 1 . 2]" 1
693 1 29 VAL QG 1 30 ALA H 2.427 2.025 3.134 2.653 2.376 3.023 . 0 0 "[ . 1 . 2]" 1
694 1 29 VAL QG 1 30 ALA HA 3.005 . 4.088 3.734 3.435 3.935 . 0 0 "[ . 1 . 2]" 1
695 1 29 VAL QG 1 31 CYS H 3.290 . 4.589 3.606 2.231 4.409 . 0 0 "[ . 1 . 2]" 1
696 1 29 VAL QG 1 44 VAL H 3.124 . 4.295 3.378 2.929 3.958 . 0 0 "[ . 1 . 2]" 1
697 1 29 VAL QG 1 44 VAL QG 1.989 . 2.464 1.855 1.702 2.439 . 0 0 "[ . 1 . 2]" 1
698 1 30 ALA H 1 30 ALA MB 2.223 . 2.816 2.341 2.269 2.512 . 0 0 "[ . 1 . 2]" 1
699 1 30 ALA HA 1 30 ALA MB 2.230 . 2.827 2.131 2.126 2.139 . 0 0 "[ . 1 . 2]" 1
700 1 30 ALA HA 1 31 CYS H 2.238 . 2.839 2.270 2.145 3.280 0.441 19 0 "[ . 1 . 2]" 1
701 1 31 CYS H 1 31 CYS HB2 2.507 . 3.261 2.614 2.401 3.367 0.106 19 0 "[ . 1 . 2]" 1
702 1 31 CYS H 1 31 CYS HB3 2.764 . 3.681 3.482 2.811 3.898 0.217 19 0 "[ . 1 . 2]" 1
703 1 31 CYS H 1 32 HIS H 3.614 2.047 5.181 4.512 4.191 4.618 . 0 0 "[ . 1 . 2]" 1
704 1 31 CYS H 1 32 HIS HA 3.596 2.044 5.148 4.304 3.546 4.735 . 0 0 "[ . 1 . 2]" 1
705 1 31 CYS HA 1 31 CYS HB2 2.818 . 3.771 2.935 2.637 3.031 . 0 0 "[ . 1 . 2]" 1
706 1 31 CYS HA 1 31 CYS HB3 2.731 . 3.626 2.593 2.327 2.992 . 0 0 "[ . 1 . 2]" 1
707 1 31 CYS HA 1 32 HIS H 2.499 . 3.249 2.378 2.085 2.698 . 0 0 "[ . 1 . 2]" 1
708 1 31 CYS HA 1 35 TYR QB 3.254 . 4.524 4.059 3.506 4.362 . 0 0 "[ . 1 . 2]" 1
709 1 31 CYS HB2 1 32 HIS H 2.858 . 3.838 3.775 3.532 3.896 0.058 19 0 "[ . 1 . 2]" 1
710 1 31 CYS HB2 1 35 TYR H 3.561 2.039 5.083 4.654 4.174 5.203 0.120 6 0 "[ . 1 . 2]" 1
711 1 31 CYS HB2 1 35 TYR QB 2.592 . 3.398 3.221 2.974 3.401 0.003 4 0 "[ . 1 . 2]" 1
712 1 31 CYS HB2 1 36 ALA H 3.679 2.055 5.303 4.763 4.268 5.146 . 0 0 "[ . 1 . 2]" 1
713 1 31 CYS HB2 1 36 ALA HA 2.618 . 3.441 3.154 2.497 3.526 0.085 6 0 "[ . 1 . 2]" 1
714 1 31 CYS HB2 1 37 LEU H 3.923 2.076 5.770 5.041 4.396 5.598 . 0 0 "[ . 1 . 2]" 1
715 1 31 CYS HB3 1 32 HIS H 2.775 . 3.699 2.701 2.289 2.993 . 0 0 "[ . 1 . 2]" 1
716 1 31 CYS HB3 1 32 HIS HA 2.877 . 3.871 3.613 3.284 4.054 0.183 16 0 "[ . 1 . 2]" 1
717 1 31 CYS HB3 1 35 TYR H 3.368 2.007 4.729 3.992 3.498 4.460 . 0 0 "[ . 1 . 2]" 1
718 1 31 CYS HB3 1 35 TYR QB 2.493 . 3.239 2.086 1.838 2.572 . 0 0 "[ . 1 . 2]" 1
719 1 31 CYS HB3 1 36 ALA H 3.617 2.047 5.187 4.458 4.030 5.191 0.004 16 0 "[ . 1 . 2]" 1
720 1 31 CYS HB3 1 37 LEU H 4.352 2.080 6.624 5.796 4.954 6.578 . 0 0 "[ . 1 . 2]" 1
721 1 32 HIS H 1 32 HIS HA 2.981 . 4.047 2.841 2.754 2.885 . 0 0 "[ . 1 . 2]" 1
722 1 32 HIS H 1 32 HIS HB2 2.556 . 3.340 2.620 2.104 3.518 0.178 4 0 "[ . 1 . 2]" 1
723 1 32 HIS H 1 32 HIS HB3 2.787 . 3.719 3.404 2.282 3.645 . 0 0 "[ . 1 . 2]" 1
724 1 32 HIS H 1 33 PRO QD 3.734 2.061 5.407 4.340 4.187 4.414 . 0 0 "[ . 1 . 2]" 1
725 1 32 HIS H 1 35 TYR QD 3.302 . 4.611 3.495 3.005 4.072 . 0 0 "[ . 1 . 2]" 1
726 1 32 HIS HA 1 32 HIS HB2 2.810 . 3.757 2.902 2.341 3.026 . 0 0 "[ . 1 . 2]" 1
727 1 32 HIS HA 1 32 HIS HB3 2.648 . 3.489 2.521 2.239 2.986 . 0 0 "[ . 1 . 2]" 1
728 1 32 HIS HA 1 33 PRO QD 2.136 . 2.684 1.960 1.727 2.094 0.223 2 0 "[ . 1 . 2]" 1
729 1 32 HIS HB2 1 33 PRO QD 2.944 . 3.501 3.189 2.219 3.504 0.003 20 0 "[ . 1 . 2]" 1
730 1 32 HIS HB2 1 35 TYR QB 3.117 . 4.283 3.833 3.303 5.097 0.814 2 1 "[ + . 1 . 2]" 1
731 1 32 HIS HB2 1 35 TYR QD 2.789 . 3.722 2.540 1.925 4.148 0.426 2 0 "[ . 1 . 2]" 1
732 1 32 HIS HB3 1 33 PRO QD 2.662 . 3.017 2.232 1.864 3.542 0.525 2 1 "[ + . 1 . 2]" 1
733 1 32 HIS HB3 1 33 PRO QG 3.093 . 4.241 3.616 2.840 4.083 . 0 0 "[ . 1 . 2]" 1
734 1 32 HIS HB3 1 35 TYR H 4.058 2.081 6.035 5.202 4.215 6.104 0.069 8 0 "[ . 1 . 2]" 1
735 1 32 HIS HB3 1 35 TYR QR 2.903 . 3.915 3.239 2.156 4.070 0.155 19 0 "[ . 1 . 2]" 1
736 1 33 PRO HA 1 33 PRO HB2 2.447 . 3.166 2.976 2.960 2.997 . 0 0 "[ . 1 . 2]" 1
737 1 33 PRO HA 1 33 PRO HB3 2.210 . 2.796 2.296 2.277 2.319 . 0 0 "[ . 1 . 2]" 1
738 1 33 PRO HA 1 33 PRO HG2 3.138 . 4.320 3.924 3.841 3.964 . 0 0 "[ . 1 . 2]" 1
739 1 33 PRO HA 1 33 PRO QG 2.545 . 3.322 2.883 2.746 2.961 . 0 0 "[ . 1 . 2]" 1
740 1 33 PRO HA 1 34 GLY H 2.166 . 2.729 2.143 2.123 2.155 . 0 0 "[ . 1 . 2]" 1
741 1 33 PRO HA 1 35 TYR H 2.932 . 3.964 3.520 3.388 3.675 . 0 0 "[ . 1 . 2]" 1
742 1 33 PRO HB2 1 33 PRO QD 2.670 . 3.525 2.815 2.776 2.858 . 0 0 "[ . 1 . 2]" 1
743 1 33 PRO HB2 1 33 PRO QG 2.121 . 2.661 2.253 2.241 2.270 . 0 0 "[ . 1 . 2]" 1
744 1 33 PRO HB2 1 34 GLY H 3.148 . 4.337 4.094 3.912 4.222 . 0 0 "[ . 1 . 2]" 1
745 1 33 PRO HB2 1 35 TYR H 3.956 2.078 5.834 4.826 4.406 5.045 . 0 0 "[ . 1 . 2]" 1
746 1 33 PRO HB3 1 33 PRO QD 2.966 . 3.748 3.516 3.510 3.536 . 0 0 "[ . 1 . 2]" 1
747 1 33 PRO HB3 1 33 PRO QG 2.000 . 2.480 2.080 2.075 2.086 . 0 0 "[ . 1 . 2]" 1
748 1 33 PRO HB3 1 34 GLY H 2.846 . 3.818 3.781 3.555 3.903 0.085 20 0 "[ . 1 . 2]" 1
749 1 33 PRO QD 1 33 PRO QG 2.209 . 2.677 1.974 1.964 1.983 . 0 0 "[ . 1 . 2]" 1
750 1 33 PRO QG 1 34 GLY H 3.553 2.038 5.068 4.748 4.647 4.812 . 0 0 "[ . 1 . 2]" 1
751 1 34 GLY H 1 34 GLY HA2 2.333 . 2.986 2.951 2.927 2.961 . 0 0 "[ . 1 . 2]" 1
752 1 34 GLY H 1 34 GLY HA3 2.569 . 3.361 2.433 2.356 2.518 . 0 0 "[ . 1 . 2]" 1
753 1 34 GLY H 1 35 TYR H 2.459 . 3.185 2.352 2.171 2.527 . 0 0 "[ . 1 . 2]" 1
754 1 34 GLY H 1 35 TYR QB 3.854 2.071 5.637 4.655 4.526 4.931 . 0 0 "[ . 1 . 2]" 1
755 1 34 GLY H 1 35 TYR QD 3.586 2.043 5.129 4.566 3.850 5.032 . 0 0 "[ . 1 . 2]" 1
756 1 34 GLY HA2 1 35 TYR H 2.652 . 3.496 3.137 2.990 3.319 . 0 0 "[ . 1 . 2]" 1
757 1 34 GLY HA2 1 35 TYR QR 3.171 . 4.378 3.802 3.409 4.230 . 0 0 "[ . 1 . 2]" 1
758 1 34 GLY HA3 1 35 TYR H 2.932 . 3.963 3.376 3.259 3.454 . 0 0 "[ . 1 . 2]" 1
759 1 34 GLY HA3 1 60 VAL H 3.998 2.080 5.916 4.143 3.820 4.587 . 0 0 "[ . 1 . 2]" 1
760 1 34 GLY HA3 1 60 VAL MG1 3.172 . 4.380 3.223 2.369 4.763 0.383 5 0 "[ . 1 . 2]" 1
761 1 35 TYR H 1 35 TYR HA 2.902 . 3.913 2.946 2.933 2.953 . 0 0 "[ . 1 . 2]" 1
762 1 35 TYR H 1 35 TYR QB 2.641 . 3.478 2.533 2.413 2.632 . 0 0 "[ . 1 . 2]" 1
763 1 35 TYR H 1 35 TYR QD 2.576 . 3.372 2.792 2.358 3.088 . 0 0 "[ . 1 . 2]" 1
764 1 35 TYR H 1 36 ALA H 3.512 2.032 4.992 4.468 4.401 4.520 . 0 0 "[ . 1 . 2]" 1
765 1 35 TYR H 1 36 ALA MB 3.866 2.073 5.659 4.598 4.379 4.823 . 0 0 "[ . 1 . 2]" 1
766 1 35 TYR H 1 60 VAL H 3.977 2.079 5.875 4.654 4.249 5.020 . 0 0 "[ . 1 . 2]" 1
767 1 35 TYR HA 1 35 TYR QB 2.842 . 3.372 2.364 2.324 2.404 . 0 0 "[ . 1 . 2]" 1
768 1 35 TYR HA 1 35 TYR QD 2.866 . 3.852 2.876 2.633 3.201 . 0 0 "[ . 1 . 2]" 1
769 1 35 TYR HA 1 36 ALA H 2.247 . 2.853 2.236 2.149 2.358 . 0 0 "[ . 1 . 2]" 1
770 1 35 TYR HA 1 36 ALA MB 3.334 . 4.668 3.919 3.868 3.974 . 0 0 "[ . 1 . 2]" 1
771 1 35 TYR HA 1 59 ARG H 3.893 2.074 5.712 4.356 4.082 4.783 . 0 0 "[ . 1 . 2]" 1
772 1 35 TYR HA 1 59 ARG HA 2.293 . 2.924 2.181 1.698 2.504 . 0 0 "[ . 1 . 2]" 1
773 1 35 TYR HA 1 60 VAL H 2.574 . 3.369 2.666 1.983 3.191 . 0 0 "[ . 1 . 2]" 1
774 1 35 TYR HA 1 61 LYS H 3.982 2.079 5.885 4.651 3.979 5.879 . 0 0 "[ . 1 . 2]" 1
775 1 35 TYR QB 1 35 TYR QD 2.380 . 3.030 2.136 2.131 2.142 . 0 0 "[ . 1 . 2]" 1
776 1 35 TYR QB 1 36 ALA H 2.983 . 3.560 2.831 2.506 3.107 . 0 0 "[ . 1 . 2]" 1
777 1 35 TYR QB 1 37 LEU H 4.264 2.082 6.446 5.184 4.441 5.534 . 0 0 "[ . 1 . 2]" 1
778 1 35 TYR QB 1 57 CYS HA 3.173 . 4.381 3.825 3.065 4.327 . 0 0 "[ . 1 . 2]" 1
779 1 35 TYR QB 1 57 CYS QB 2.651 . 3.494 1.983 1.586 2.587 0.222 19 0 "[ . 1 . 2]" 1
780 1 35 TYR QB 1 58 ILE H 4.128 2.083 6.173 4.201 3.894 4.516 . 0 0 "[ . 1 . 2]" 1
781 1 35 TYR QB 1 59 ARG H 4.361 2.079 6.643 4.756 4.221 5.047 . 0 0 "[ . 1 . 2]" 1
782 1 35 TYR QB 1 59 ARG HA 3.210 . 4.446 3.729 3.054 4.105 . 0 0 "[ . 1 . 2]" 1
783 1 35 TYR QB 1 60 VAL H 4.148 2.084 5.527 4.697 4.062 5.134 . 0 0 "[ . 1 . 2]" 1
784 1 35 TYR QR 1 59 ARG H 2.743 . 3.646 2.846 2.571 3.222 . 0 0 "[ . 1 . 2]" 1
785 1 35 TYR QR 1 59 ARG HB3 3.010 . 4.097 3.522 3.266 3.860 . 0 0 "[ . 1 . 2]" 1
786 1 35 TYR QR 1 59 ARG HG3 3.215 . 4.456 3.599 3.096 4.147 . 0 0 "[ . 1 . 2]" 1
787 1 35 TYR QR 1 60 VAL H 3.332 . 4.664 4.293 3.931 4.711 0.047 16 0 "[ . 1 . 2]" 1
788 1 35 TYR QD 1 36 ALA H 3.131 . 4.308 3.960 3.596 4.327 0.019 16 0 "[ . 1 . 2]" 1
789 1 35 TYR QD 1 58 ILE H 3.687 2.056 5.318 4.605 3.858 5.130 . 0 0 "[ . 1 . 2]" 1
790 1 35 TYR QD 1 58 ILE HA 2.758 . 3.671 3.236 2.791 3.687 0.016 18 0 "[ . 1 . 2]" 1
791 1 35 TYR QD 1 59 ARG H 2.882 . 3.878 2.984 2.670 3.372 . 0 0 "[ . 1 . 2]" 1
792 1 35 TYR QD 1 59 ARG HA 2.557 . 3.341 2.707 2.277 3.270 . 0 0 "[ . 1 . 2]" 1
793 1 35 TYR QD 1 59 ARG HB2 2.941 . 3.979 2.905 2.540 3.258 . 0 0 "[ . 1 . 2]" 1
794 1 35 TYR QE 1 59 ARG HB2 2.649 . 3.491 2.303 1.960 2.729 . 0 0 "[ . 1 . 2]" 1
795 1 35 TYR QE 1 59 ARG HB3 3.130 . 4.306 3.804 3.470 4.235 . 0 0 "[ . 1 . 2]" 1
796 1 36 ALA H 1 36 ALA HA 2.765 . 3.682 2.896 2.851 2.927 . 0 0 "[ . 1 . 2]" 1
797 1 36 ALA H 1 36 ALA MB 2.531 . 3.300 2.732 2.626 2.842 . 0 0 "[ . 1 . 2]" 1
798 1 36 ALA H 1 37 LEU H 3.514 2.032 4.996 4.356 4.281 4.397 . 0 0 "[ . 1 . 2]" 1
799 1 36 ALA H 1 38 PRO QD 4.341 2.080 6.602 5.456 5.131 5.985 . 0 0 "[ . 1 . 2]" 1
800 1 36 ALA H 1 40 ALA HA 4.103 2.082 6.124 5.144 4.606 5.709 . 0 0 "[ . 1 . 2]" 1
801 1 36 ALA H 1 57 CYS HA 3.121 . 4.290 3.684 3.258 3.979 . 0 0 "[ . 1 . 2]" 1
802 1 36 ALA H 1 58 ILE HB 3.526 2.034 5.018 5.051 4.981 5.092 0.074 7 0 "[ . 1 . 2]" 1
803 1 36 ALA H 1 58 ILE HG13 3.619 2.047 5.191 3.532 3.197 3.740 . 0 0 "[ . 1 . 2]" 1
804 1 36 ALA H 1 59 ARG H 3.925 2.076 5.774 4.856 4.613 5.070 . 0 0 "[ . 1 . 2]" 1
805 1 36 ALA H 1 59 ARG HA 2.964 . 4.018 3.691 3.306 4.008 . 0 0 "[ . 1 . 2]" 1
806 1 36 ALA H 1 60 VAL H 3.255 . 4.526 3.754 3.177 4.168 . 0 0 "[ . 1 . 2]" 1
807 1 36 ALA HA 1 36 ALA MB 2.080 . 2.599 2.134 2.129 2.138 . 0 0 "[ . 1 . 2]" 1
808 1 36 ALA HA 1 37 LEU H 2.335 . 2.989 2.452 2.285 2.681 . 0 0 "[ . 1 . 2]" 1
809 1 36 ALA HA 1 37 LEU HB2 3.100 . 4.253 3.690 3.056 4.417 0.164 18 0 "[ . 1 . 2]" 1
810 1 36 ALA HA 1 58 ILE H 3.894 2.074 5.714 4.868 4.463 5.283 . 0 0 "[ . 1 . 2]" 1
811 1 36 ALA MB 1 37 LEU H 2.355 . 3.021 2.362 1.947 2.805 . 0 0 "[ . 1 . 2]" 1
812 1 36 ALA MB 1 60 VAL HB 3.080 . 4.218 2.592 2.084 3.558 . 0 0 "[ . 1 . 2]" 1
813 1 37 LEU H 1 37 LEU HA 2.946 . 3.988 2.864 2.815 2.924 . 0 0 "[ . 1 . 2]" 1
814 1 37 LEU H 1 37 LEU HB2 2.445 . 3.162 2.325 2.254 2.368 . 0 0 "[ . 1 . 2]" 1
815 1 37 LEU H 1 37 LEU HB3 2.794 . 3.731 3.570 3.499 3.607 . 0 0 "[ . 1 . 2]" 1
816 1 37 LEU H 1 37 LEU HG 2.634 . 3.466 2.827 2.587 3.782 0.316 18 0 "[ . 1 . 2]" 1
817 1 37 LEU H 1 38 PRO QD 3.773 2.074 5.481 4.278 4.215 4.366 . 0 0 "[ . 1 . 2]" 1
818 1 37 LEU H 1 40 ALA HA 3.781 2.065 5.497 4.902 4.114 8.339 2.842 18 2 "[ . 1 . -+ 2]" 1
819 1 37 LEU H 1 41 GLN H 4.249 2.082 6.416 4.224 3.333 6.088 . 0 0 "[ . 1 . 2]" 1
820 1 37 LEU HA 1 37 LEU HB2 2.747 . 3.652 2.995 2.974 3.011 . 0 0 "[ . 1 . 2]" 1
821 1 37 LEU HA 1 37 LEU HB2 3.091 . 4.238 2.585 2.513 2.860 . 0 0 "[ . 1 . 2]" 1
822 1 37 LEU HA 1 37 LEU HB3 2.736 . 3.634 2.566 2.504 2.623 . 0 0 "[ . 1 . 2]" 1
823 1 37 LEU HA 1 37 LEU QD 2.213 . 2.801 2.032 1.887 2.223 . 0 0 "[ . 1 . 2]" 1
824 1 37 LEU HA 1 37 LEU HG 2.757 . 3.669 2.839 2.707 3.568 . 0 0 "[ . 1 . 2]" 1
825 1 37 LEU HA 1 38 PRO QD 2.259 . 2.871 1.806 1.685 2.045 . 0 0 "[ . 1 . 2]" 1
826 1 37 LEU HA 1 38 PRO HG2 3.160 . 4.359 4.384 4.274 4.617 0.258 18 0 "[ . 1 . 2]" 1
827 1 37 LEU HA 1 56 ARG H 4.100 2.083 6.117 4.206 3.543 4.906 . 0 0 "[ . 1 . 2]" 1
828 1 37 LEU HA 1 58 ILE H 3.610 2.046 5.174 3.305 2.862 3.578 . 0 0 "[ . 1 . 2]" 1
829 1 37 LEU HA 1 58 ILE MD 3.353 2.004 4.702 4.386 3.727 4.712 0.010 1 0 "[ . 1 . 2]" 1
830 1 37 LEU HB2 1 38 PRO QD 3.126 . 4.045 3.692 3.462 3.803 . 0 0 "[ . 1 . 2]" 1
831 1 37 LEU HB2 1 40 ALA H 3.205 . 4.438 3.584 3.338 3.759 . 0 0 "[ . 1 . 2]" 1
832 1 37 LEU HB2 1 41 GLN H 3.259 . 4.533 2.952 2.310 4.540 0.007 18 0 "[ . 1 . 2]" 1
833 1 37 LEU HB3 1 37 LEU QD 2.154 . 2.711 2.124 2.097 2.510 . 0 0 "[ . 1 . 2]" 1
834 1 37 LEU HB3 1 38 PRO QD 2.685 . 3.064 2.335 1.991 2.572 . 0 0 "[ . 1 . 2]" 1
835 1 37 LEU HB3 1 38 PRO HG2 3.263 . 4.541 4.026 3.320 4.520 . 0 0 "[ . 1 . 2]" 1
836 1 37 LEU HB3 1 39 LYS H 4.164 2.083 6.245 4.666 2.612 6.187 . 0 0 "[ . 1 . 2]" 1
837 1 37 LEU HB3 1 41 GLN H 3.687 2.056 5.318 3.479 2.823 5.419 0.101 18 0 "[ . 1 . 2]" 1
838 1 37 LEU HB3 1 41 GLN HB2 2.861 . 3.843 2.813 2.025 4.318 0.475 18 0 "[ . 1 . 2]" 1
839 1 37 LEU HB3 1 41 GLN HB3 3.135 . 4.314 3.857 2.993 4.549 0.235 17 0 "[ . 1 . 2]" 1
840 1 37 LEU HB3 1 56 ARG H 3.241 . 4.501 3.085 2.613 3.246 . 0 0 "[ . 1 . 2]" 1
841 1 37 LEU QD 1 37 LEU HG 2.086 . 2.608 1.894 1.883 1.897 . 0 0 "[ . 1 . 2]" 1
842 1 37 LEU QD 1 38 PRO QD 2.581 . 3.381 2.196 1.966 2.681 . 0 0 "[ . 1 . 2]" 1
843 1 37 LEU QD 1 41 GLN HB3 2.863 . 3.847 3.115 2.644 3.938 0.091 17 0 "[ . 1 . 2]" 1
844 1 37 LEU QD 1 41 GLN QG 3.127 . 4.301 3.186 2.525 3.870 . 0 0 "[ . 1 . 2]" 1
845 1 37 LEU QD 1 42 THR HA 2.622 . 3.447 2.846 2.201 3.502 0.055 18 0 "[ . 1 . 2]" 1
846 1 37 LEU QD 1 43 THR H 3.129 . 4.304 2.905 2.549 3.596 . 0 0 "[ . 1 . 2]" 1
847 1 37 LEU QD 1 55 PRO HA 2.252 . 2.860 2.108 1.763 2.806 . 0 0 "[ . 1 . 2]" 1
848 1 37 LEU QD 1 56 ARG H 2.315 . 2.958 1.971 1.856 2.189 . 0 0 "[ . 1 . 2]" 1
849 1 37 LEU HG 1 38 PRO QD 3.139 . 4.322 3.896 3.644 4.009 . 0 0 "[ . 1 . 2]" 1
850 1 37 LEU HG 1 56 ARG H 3.127 . 4.300 4.325 4.126 4.397 0.097 20 0 "[ . 1 . 2]" 1
851 1 38 PRO HA 1 38 PRO HB2 2.420 . 3.123 2.974 2.934 3.003 . 0 0 "[ . 1 . 2]" 1
852 1 38 PRO HA 1 38 PRO HB3 2.203 . 2.785 2.300 2.264 2.330 . 0 0 "[ . 1 . 2]" 1
853 1 38 PRO HA 1 38 PRO HG2 2.775 . 3.699 3.846 3.782 3.900 0.201 19 0 "[ . 1 . 2]" 1
854 1 38 PRO HA 1 38 PRO HG3 2.798 . 3.737 2.851 2.731 2.958 . 0 0 "[ . 1 . 2]" 1
855 1 38 PRO HA 1 39 LYS H 2.409 . 3.106 2.795 2.131 3.492 0.386 15 0 "[ . 1 . 2]" 1
856 1 38 PRO HA 1 39 LYS HG3 3.126 . 4.299 3.411 2.831 4.204 . 0 0 "[ . 1 . 2]" 1
857 1 38 PRO HA 1 40 ALA H 3.184 . 4.401 3.699 3.303 4.458 0.057 18 0 "[ . 1 . 2]" 1
858 1 38 PRO HA 1 58 ILE MD 2.451 . 3.172 1.999 1.672 3.178 0.058 15 0 "[ . 1 . 2]" 1
859 1 38 PRO HA 1 58 ILE HG13 3.271 . 4.555 3.850 3.401 4.609 0.054 17 0 "[ . 1 . 2]" 1
860 1 38 PRO HB2 1 38 PRO QD 2.704 . 3.582 2.814 2.736 2.875 . 0 0 "[ . 1 . 2]" 1
861 1 38 PRO HB2 1 38 PRO HG2 2.055 . 2.562 2.340 2.308 2.376 . 0 0 "[ . 1 . 2]" 1
862 1 38 PRO HB2 1 39 LYS H 2.910 . 3.926 2.633 1.782 3.227 0.112 17 0 "[ . 1 . 2]" 1
863 1 38 PRO HB3 1 38 PRO QD 3.117 . 3.997 3.530 3.496 3.548 . 0 0 "[ . 1 . 2]" 1
864 1 38 PRO HB3 1 39 LYS H 2.772 . 3.694 3.505 2.458 4.475 0.781 6 4 "[ .+ * 1 * . -]" 1
865 1 38 PRO HB3 1 39 LYS QG 2.744 . 3.647 3.720 3.196 4.354 0.707 6 4 "[ .+ * 1 * . -]" 1
866 1 38 PRO HB3 1 58 ILE MD 2.714 . 3.598 2.920 2.375 3.375 . 0 0 "[ . 1 . 2]" 1
867 1 38 PRO QD 1 38 PRO HG2 2.535 . 3.003 2.185 2.175 2.198 . 0 0 "[ . 1 . 2]" 1
868 1 38 PRO QD 1 38 PRO HG3 2.490 . 2.937 2.238 2.224 2.255 . 0 0 "[ . 1 . 2]" 1
869 1 38 PRO QD 1 39 LYS H 4.182 2.083 6.281 4.076 2.770 4.993 . 0 0 "[ . 1 . 2]" 1
870 1 38 PRO QD 1 56 ARG H 4.110 2.083 6.137 3.573 2.779 4.747 . 0 0 "[ . 1 . 2]" 1
871 1 38 PRO QD 1 56 ARG QG 3.114 . 4.278 2.479 2.234 2.716 . 0 0 "[ . 1 . 2]" 1
872 1 38 PRO QD 1 58 ILE H 3.826 2.070 5.582 3.187 2.573 3.986 . 0 0 "[ . 1 . 2]" 1
873 1 38 PRO QD 1 58 ILE H 4.040 2.081 5.999 3.155 2.568 3.893 . 0 0 "[ . 1 . 2]" 1
874 1 38 PRO QD 1 58 ILE MD 2.857 . 3.837 3.384 2.920 3.644 . 0 0 "[ . 1 . 2]" 1
875 1 38 PRO QD 1 58 ILE HG12 2.481 . 3.220 2.647 2.442 2.989 . 0 0 "[ . 1 . 2]" 1
876 1 38 PRO QD 1 58 ILE HG13 3.006 . 4.091 4.017 3.818 4.052 . 0 0 "[ . 1 . 2]" 1
877 1 38 PRO HG2 1 39 LYS H 3.963 2.079 5.847 4.863 3.828 5.607 . 0 0 "[ . 1 . 2]" 1
878 1 38 PRO HG2 1 40 ALA H 4.044 2.081 6.007 5.464 3.217 5.859 . 0 0 "[ . 1 . 2]" 1
879 1 38 PRO HG2 1 54 THR MG 3.359 2.005 4.713 4.424 3.690 4.792 0.079 17 0 "[ . 1 . 2]" 1
880 1 38 PRO HG2 1 54 THR HB 3.209 . 4.444 3.938 2.918 4.562 0.118 15 0 "[ . 1 . 2]" 1
881 1 38 PRO HG2 1 56 ARG QD 3.166 . 4.369 4.030 2.918 4.430 0.061 20 0 "[ . 1 . 2]" 1
882 1 38 PRO HG2 1 56 ARG QG 2.898 . 3.906 3.322 2.473 4.002 0.096 5 0 "[ . 1 . 2]" 1
883 1 38 PRO HG3 1 58 ILE H 2.984 . 4.052 3.346 3.008 3.511 . 0 0 "[ . 1 . 2]" 1
884 1 38 PRO HG3 1 58 ILE MD 2.078 . 2.596 2.085 1.946 2.224 . 0 0 "[ . 1 . 2]" 1
885 1 38 PRO HG3 1 58 ILE HG12 2.417 . 3.118 2.472 2.001 2.845 . 0 0 "[ . 1 . 2]" 1
886 1 38 PRO HG3 1 58 ILE MD 2.748 . 3.654 2.330 2.053 2.743 . 0 0 "[ . 1 . 2]" 1
887 1 38 PRO HG3 1 58 ILE HG12 2.981 . 4.048 2.687 2.031 3.491 . 0 0 "[ . 1 . 2]" 1
888 1 38 PRO HG3 1 58 ILE HG13 3.161 . 4.360 4.102 3.676 4.440 0.080 2 0 "[ . 1 . 2]" 1
889 1 39 LYS H 1 39 LYS HA 2.219 . 2.810 2.612 2.252 2.929 0.119 8 0 "[ . 1 . 2]" 1
890 1 39 LYS H 1 39 LYS QB 3.079 . 4.121 2.926 2.423 3.412 . 0 0 "[ . 1 . 2]" 1
891 1 39 LYS H 1 39 LYS QD 3.831 2.070 5.592 3.917 2.854 4.799 . 0 0 "[ . 1 . 2]" 1
892 1 39 LYS H 1 39 LYS QG 2.799 . 3.617 2.733 1.915 3.340 . 0 0 "[ . 1 . 2]" 1
893 1 39 LYS H 1 40 ALA H 2.660 . 3.509 2.619 2.089 3.434 . 0 0 "[ . 1 . 2]" 1
894 1 39 LYS H 1 41 GLN H 4.120 2.083 6.157 4.007 2.789 5.361 . 0 0 "[ . 1 . 2]" 1
895 1 39 LYS H 1 58 ILE MD 3.886 2.074 5.698 4.256 3.253 5.315 . 0 0 "[ . 1 . 2]" 1
896 1 39 LYS HA 1 39 LYS QB 2.253 . 2.862 2.353 2.165 2.430 . 0 0 "[ . 1 . 2]" 1
897 1 39 LYS HA 1 39 LYS QD 2.860 . 3.841 2.969 1.853 4.020 0.179 13 0 "[ . 1 . 2]" 1
898 1 39 LYS HA 1 39 LYS QG 2.303 . 2.939 2.676 2.308 3.003 0.064 19 0 "[ . 1 . 2]" 1
899 1 39 LYS HA 1 40 ALA H 2.608 . 3.424 2.920 2.517 3.133 . 0 0 "[ . 1 . 2]" 1
900 1 39 LYS HA 1 41 GLN QG 3.263 . 4.541 4.232 1.937 4.629 0.088 1 0 "[ . 1 . 2]" 1
901 1 39 LYS QB 1 39 LYS QD 2.648 . 3.490 2.326 2.089 2.783 . 0 0 "[ . 1 . 2]" 1
902 1 39 LYS QB 1 39 LYS QG 2.373 . 2.896 2.041 1.993 2.086 . 0 0 "[ . 1 . 2]" 1
903 1 39 LYS QB 1 40 ALA H 3.184 . 4.271 3.745 3.538 3.860 . 0 0 "[ . 1 . 2]" 1
904 1 39 LYS QB 1 41 GLN QG 2.775 . 3.632 2.448 1.909 3.689 0.057 18 0 "[ . 1 . 2]" 1
905 1 39 LYS QD 1 40 ALA H 4.178 2.083 6.273 5.243 4.494 6.079 . 0 0 "[ . 1 . 2]" 1
906 1 39 LYS QE 1 39 LYS QG 2.603 . 3.416 2.285 2.108 2.390 . 0 0 "[ . 1 . 2]" 1
907 1 39 LYS QG 1 54 THR H 4.376 2.078 6.674 5.577 4.855 6.240 . 0 0 "[ . 1 . 2]" 1
908 1 40 ALA H 1 40 ALA HA 2.029 . 2.523 2.321 2.260 2.848 0.325 18 0 "[ . 1 . 2]" 1
909 1 40 ALA H 1 41 GLN H 2.609 . 3.426 2.721 2.377 2.874 . 0 0 "[ . 1 . 2]" 1
910 1 40 ALA H 1 41 GLN QG 3.615 2.047 5.183 4.087 2.624 4.485 . 0 0 "[ . 1 . 2]" 1
911 1 40 ALA H 1 58 ILE MD 4.274 2.081 6.467 4.610 3.712 5.553 . 0 0 "[ . 1 . 2]" 1
912 1 40 ALA HA 1 40 ALA MB 1.943 . 2.396 2.127 2.122 2.151 . 0 0 "[ . 1 . 2]" 1
913 1 40 ALA HA 1 41 GLN H 2.493 . 3.239 2.820 2.578 3.304 0.065 17 0 "[ . 1 . 2]" 1
914 1 40 ALA MB 1 41 GLN H 3.236 . 4.492 3.641 3.200 3.718 . 0 0 "[ . 1 . 2]" 1
915 1 41 GLN H 1 41 GLN HA 2.963 . 4.017 2.875 2.244 2.929 . 0 0 "[ . 1 . 2]" 1
916 1 41 GLN H 1 41 GLN HB2 2.401 . 3.093 2.492 2.313 3.480 0.387 18 0 "[ . 1 . 2]" 1
917 1 41 GLN H 1 41 GLN HB3 2.641 . 3.478 3.592 3.107 3.975 0.497 17 0 "[ . 1 . 2]" 1
918 1 41 GLN H 1 41 GLN QG 2.497 . 3.245 2.602 1.824 2.899 . 0 0 "[ . 1 . 2]" 1
919 1 41 GLN H 1 42 THR H 3.717 2.059 5.375 4.520 4.081 4.601 . 0 0 "[ . 1 . 2]" 1
920 1 41 GLN HA 1 41 GLN HB2 2.513 . 3.271 2.994 2.596 3.028 . 0 0 "[ . 1 . 2]" 1
921 1 41 GLN HA 1 41 GLN HB3 2.452 . 3.173 2.497 2.231 2.561 . 0 0 "[ . 1 . 2]" 1
922 1 41 GLN HA 1 41 GLN QG 2.491 . 3.236 2.738 2.282 3.251 0.015 18 0 "[ . 1 . 2]" 1
923 1 41 GLN HA 1 42 THR H 2.268 . 2.885 2.370 2.107 2.954 0.069 17 0 "[ . 1 . 2]" 1
924 1 41 GLN HA 1 42 THR MG 3.296 . 4.599 3.940 3.652 4.600 0.001 18 0 "[ . 1 . 2]" 1
925 1 41 GLN HA 1 43 THR H 2.961 . 4.013 3.686 2.609 4.186 0.173 17 0 "[ . 1 . 2]" 1
926 1 41 GLN HB2 1 41 GLN QG 2.131 . 2.676 2.233 2.154 2.471 . 0 0 "[ . 1 . 2]" 1
927 1 41 GLN HB2 1 42 THR H 2.981 . 4.048 3.736 3.030 4.051 0.003 19 0 "[ . 1 . 2]" 1
928 1 41 GLN HB2 1 43 THR H 3.113 . 4.276 3.689 2.925 4.307 0.031 6 0 "[ . 1 . 2]" 1
929 1 41 GLN HB3 1 41 GLN QG 2.188 . 2.762 2.344 2.254 2.396 . 0 0 "[ . 1 . 2]" 1
930 1 41 GLN HB3 1 42 THR H 2.790 . 3.724 2.616 1.745 4.172 0.448 18 0 "[ . 1 . 2]" 1
931 1 41 GLN HB3 1 43 THR H 2.943 . 3.982 2.491 2.122 4.457 0.475 18 0 "[ . 1 . 2]" 1
932 1 41 GLN HE21 1 41 GLN QG 3.011 . 4.099 2.344 2.146 2.815 . 0 0 "[ . 1 . 2]" 1
933 1 41 GLN HE22 1 41 GLN QG 2.616 . 3.437 3.321 3.209 3.498 0.061 17 0 "[ . 1 . 2]" 1
934 1 41 GLN QG 1 42 THR H 3.205 . 4.438 4.165 3.618 4.490 0.052 19 0 "[ . 1 . 2]" 1
935 1 42 THR H 1 42 THR HA 2.819 . 3.772 2.947 2.898 2.962 . 0 0 "[ . 1 . 2]" 1
936 1 42 THR H 1 43 THR H 2.219 . 2.810 1.861 1.528 2.074 0.100 18 0 "[ . 1 . 2]" 1
937 1 42 THR H 1 43 THR HA 3.945 2.078 5.812 4.493 4.124 4.685 . 0 0 "[ . 1 . 2]" 1
938 1 42 THR H 1 43 THR HB 3.197 . 4.423 4.594 4.366 4.681 0.258 16 0 "[ . 1 . 2]" 1
939 1 42 THR HA 1 42 THR MG 1.935 . 2.384 1.953 1.932 1.979 . 0 0 "[ . 1 . 2]" 1
940 1 42 THR HA 1 42 THR MG 3.084 . 4.226 2.260 2.201 2.335 . 0 0 "[ . 1 . 2]" 1
941 1 42 THR HA 1 43 THR H 2.920 . 3.943 3.219 3.066 3.449 . 0 0 "[ . 1 . 2]" 1
942 1 42 THR HB 1 43 THR H 3.317 . 4.637 4.092 3.657 4.261 . 0 0 "[ . 1 . 2]" 1
943 1 43 THR H 1 43 THR HA 2.887 . 3.888 2.916 2.845 2.939 . 0 0 "[ . 1 . 2]" 1
944 1 43 THR H 1 43 THR HB 2.505 . 3.258 3.309 3.031 3.663 0.405 18 0 "[ . 1 . 2]" 1
945 1 43 THR H 1 44 VAL H 3.546 2.037 5.055 4.383 4.266 4.509 . 0 0 "[ . 1 . 2]" 1
946 1 43 THR HA 1 43 THR HB 2.309 . 2.949 2.797 2.340 2.923 . 0 0 "[ . 1 . 2]" 1
947 1 43 THR HA 1 43 THR MG 2.261 . 2.874 2.227 2.155 3.146 0.272 13 0 "[ . 1 . 2]" 1
948 1 43 THR HA 1 44 VAL H 2.256 . 2.867 2.305 2.216 2.585 . 0 0 "[ . 1 . 2]" 1
949 1 43 THR HB 1 43 THR MG 1.996 . 2.474 2.127 2.078 2.136 . 0 0 "[ . 1 . 2]" 1
950 1 43 THR HB 1 44 VAL H 2.402 . 3.094 3.051 2.356 3.351 0.257 13 0 "[ . 1 . 2]" 1
951 1 43 THR MG 1 44 VAL H 2.475 . 3.210 2.674 2.141 3.129 . 0 0 "[ . 1 . 2]" 1
952 1 44 VAL H 1 44 VAL HB 3.519 2.033 5.005 3.452 3.297 3.889 . 0 0 "[ . 1 . 2]" 1
953 1 44 VAL H 1 44 VAL HB 2.500 . 3.250 3.219 2.960 3.311 0.061 15 0 "[ . 1 . 2]" 1
954 1 44 VAL H 1 44 VAL QG 2.248 . 2.854 2.282 2.165 2.490 . 0 0 "[ . 1 . 2]" 1
955 1 44 VAL H 1 45 THR HB 4.167 2.083 6.251 5.842 4.902 6.086 . 0 0 "[ . 1 . 2]" 1
956 1 44 VAL H 1 53 PRO HD2 4.340 2.080 6.600 5.308 5.171 5.469 . 0 0 "[ . 1 . 2]" 1
957 1 44 VAL H 1 53 PRO HD3 4.149 2.083 6.215 6.196 5.913 6.340 0.125 14 0 "[ . 1 . 2]" 1
958 1 44 VAL HA 1 44 VAL QG 3.160 . 4.358 2.398 2.324 2.578 . 0 0 "[ . 1 . 2]" 1
959 1 44 VAL HA 1 45 THR H 2.314 . 2.957 2.207 2.160 2.279 . 0 0 "[ . 1 . 2]" 1
960 1 44 VAL HA 1 45 THR HA 3.031 . 4.133 4.323 4.292 4.372 0.239 2 0 "[ . 1 . 2]" 1
961 1 44 VAL HA 1 52 SER H 3.349 2.003 4.695 4.449 4.215 4.619 . 0 0 "[ . 1 . 2]" 1
962 1 44 VAL HA 1 53 PRO HB2 2.168 . 2.732 2.630 2.530 2.842 0.110 6 0 "[ . 1 . 2]" 1
963 1 44 VAL HA 1 53 PRO HD3 2.489 . 3.232 3.178 3.002 3.258 0.026 18 0 "[ . 1 . 2]" 1
964 1 44 VAL HA 1 53 PRO HD2 2.447 . 3.166 2.605 2.385 2.885 . 0 0 "[ . 1 . 2]" 1
965 1 44 VAL HA 1 53 PRO HD3 2.849 . 3.823 3.419 3.108 3.582 . 0 0 "[ . 1 . 2]" 1
966 1 44 VAL HB 1 44 VAL QG 2.217 . 2.459 1.881 1.874 1.890 . 0 0 "[ . 1 . 2]" 1
967 1 44 VAL HB 1 45 THR H 2.727 . 3.620 3.611 3.021 3.716 0.096 5 0 "[ . 1 . 2]" 1
968 1 44 VAL HB 1 51 TRP HB3 2.868 . 3.855 4.042 2.938 4.136 0.281 12 0 "[ . 1 . 2]" 1
969 1 44 VAL HB 1 52 SER H 3.347 2.002 4.692 4.781 4.470 4.861 0.169 12 0 "[ . 1 . 2]" 1
970 1 44 VAL HB 1 53 PRO HD2 2.537 . 3.309 2.683 2.110 2.805 . 0 0 "[ . 1 . 2]" 1
971 1 44 VAL HB 1 53 PRO HD3 2.928 . 3.957 3.691 3.423 3.752 . 0 0 "[ . 1 . 2]" 1
972 1 44 VAL HB 1 54 THR H 2.404 . 3.097 2.921 2.699 3.098 0.001 8 0 "[ . 1 . 2]" 1
973 1 44 VAL HB 1 53 PRO HD2 2.744 . 3.647 3.433 2.177 3.715 0.068 8 0 "[ . 1 . 2]" 1
974 1 44 VAL HB 1 53 PRO HG2 2.380 . 3.060 3.072 2.261 3.194 0.134 16 0 "[ . 1 . 2]" 1
975 1 44 VAL HB 1 55 PRO HD3 3.059 . 4.182 4.090 3.201 4.232 0.050 5 0 "[ . 1 . 2]" 1
976 1 44 VAL QG 1 45 THR H 2.412 . 3.110 2.404 2.229 2.827 . 0 0 "[ . 1 . 2]" 1
977 1 44 VAL QG 1 51 TRP HA 3.223 . 4.469 2.872 2.579 3.589 . 0 0 "[ . 1 . 2]" 1
978 1 44 VAL QG 1 51 TRP HB2 3.398 2.012 4.784 3.023 2.896 3.494 . 0 0 "[ . 1 . 2]" 1
979 1 44 VAL QG 1 51 TRP HB3 3.050 . 4.166 1.738 1.619 2.261 0.372 13 0 "[ . 1 . 2]" 1
980 1 44 VAL QG 1 51 TRP HE3 2.910 . 3.926 1.950 1.819 2.235 0.075 12 0 "[ . 1 . 2]" 1
981 1 44 VAL QG 1 52 SER H 3.819 2.069 5.569 3.127 2.819 4.246 . 0 0 "[ . 1 . 2]" 1
982 1 44 VAL QG 1 53 PRO HD2 2.459 . 3.185 1.752 1.641 3.055 0.092 14 0 "[ . 1 . 2]" 1
983 1 44 VAL QG 1 54 THR H 4.116 2.083 6.149 2.413 2.058 3.569 0.025 12 0 "[ . 1 . 2]" 1
984 1 44 VAL QG 1 55 PRO HA 3.106 . 4.264 2.951 2.334 3.426 . 0 0 "[ . 1 . 2]" 1
985 1 44 VAL QG 1 55 PRO HB3 2.781 . 3.709 2.178 1.529 2.926 0.324 16 0 "[ . 1 . 2]" 1
986 1 44 VAL QG 1 55 PRO HD2 3.398 2.012 4.784 3.419 3.250 3.561 . 0 0 "[ . 1 . 2]" 1
987 1 44 VAL QG 1 55 PRO HD3 2.769 . 3.689 1.977 1.820 2.352 0.144 12 0 "[ . 1 . 2]" 1
988 1 45 THR H 1 45 THR HA 2.348 . 3.009 2.904 2.865 2.917 . 0 0 "[ . 1 . 2]" 1
989 1 45 THR H 1 45 THR HB 3.037 . 4.144 3.822 3.576 3.899 . 0 0 "[ . 1 . 2]" 1
990 1 45 THR H 1 45 THR MG 2.827 . 3.786 2.420 2.240 2.588 . 0 0 "[ . 1 . 2]" 1
991 1 45 THR H 1 46 CYS H 3.588 2.043 5.133 4.427 4.336 4.478 . 0 0 "[ . 1 . 2]" 1
992 1 45 THR H 1 46 CYS HB3 4.216 2.083 6.349 5.362 5.001 5.668 . 0 0 "[ . 1 . 2]" 1
993 1 45 THR H 1 51 TRP HA 3.565 2.040 5.090 3.824 3.572 4.067 . 0 0 "[ . 1 . 2]" 1
994 1 45 THR H 1 51 TRP HB3 4.018 2.081 5.955 4.133 3.642 4.476 . 0 0 "[ . 1 . 2]" 1
995 1 45 THR H 1 51 TRP HE3 2.997 . 4.075 3.209 2.881 3.573 . 0 0 "[ . 1 . 2]" 1
996 1 45 THR H 1 51 TRP HZ3 4.216 2.083 6.349 4.649 4.175 5.020 . 0 0 "[ . 1 . 2]" 1
997 1 45 THR H 1 52 SER H 2.818 . 3.771 3.012 2.658 3.286 . 0 0 "[ . 1 . 2]" 1
998 1 45 THR H 1 52 SER HB3 3.729 2.061 5.397 4.058 3.370 4.860 . 0 0 "[ . 1 . 2]" 1
999 1 45 THR H 1 53 PRO HD2 3.133 . 4.311 2.043 1.870 2.732 0.085 13 0 "[ . 1 . 2]" 1
1000 1 45 THR H 1 53 PRO HD3 3.078 . 4.215 2.438 2.302 2.560 . 0 0 "[ . 1 . 2]" 1
1001 1 45 THR H 1 53 PRO HG2 4.229 2.083 6.375 2.660 2.344 3.427 . 0 0 "[ . 1 . 2]" 1
1002 1 45 THR H 1 53 PRO HG3 4.203 2.083 6.323 3.659 3.366 3.998 . 0 0 "[ . 1 . 2]" 1
1003 1 45 THR HA 1 45 THR HB 2.690 . 3.559 2.284 2.192 2.317 . 0 0 "[ . 1 . 2]" 1
1004 1 45 THR HA 1 46 CYS H 2.870 . 3.858 2.314 2.223 2.423 . 0 0 "[ . 1 . 2]" 1
1005 1 45 THR HA 1 51 TRP HA 3.022 . 4.118 4.341 4.179 4.433 0.315 12 0 "[ . 1 . 2]" 1
1006 1 45 THR HA 1 51 TRP HE3 2.684 . 3.549 2.645 2.250 2.932 . 0 0 "[ . 1 . 2]" 1
1007 1 45 THR HB 1 45 THR MG 2.271 . 2.890 2.133 2.128 2.137 . 0 0 "[ . 1 . 2]" 1
1008 1 45 THR HB 1 46 CYS H 2.296 . 2.929 2.686 2.315 3.305 0.376 2 0 "[ . 1 . 2]" 1
1009 1 45 THR HB 1 51 TRP HE3 3.220 . 4.464 4.653 4.467 4.756 0.292 11 0 "[ . 1 . 2]" 1
1010 1 45 THR HB 1 51 TRP HZ3 3.209 . 4.445 4.288 3.885 4.475 0.030 14 0 "[ . 1 . 2]" 1
1011 1 45 THR HB 1 52 SER H 4.220 2.083 6.357 5.425 5.258 5.803 . 0 0 "[ . 1 . 2]" 1
1012 1 45 THR MG 1 52 SER H 3.836 2.071 5.601 4.538 3.636 4.821 . 0 0 "[ . 1 . 2]" 1
1013 1 46 CYS H 1 46 CYS HA 2.885 . 3.883 2.904 2.879 2.926 . 0 0 "[ . 1 . 2]" 1
1014 1 46 CYS H 1 46 CYS HB2 2.562 . 3.350 2.576 2.428 2.706 . 0 0 "[ . 1 . 2]" 1
1015 1 46 CYS H 1 46 CYS HB3 2.529 . 3.297 2.688 2.466 3.545 0.248 11 0 "[ . 1 . 2]" 1
1016 1 46 CYS H 1 47 MET H 3.483 2.027 4.939 4.193 3.960 4.378 . 0 0 "[ . 1 . 2]" 1
1017 1 46 CYS H 1 51 TRP HA 3.977 2.079 5.875 4.232 3.965 4.489 . 0 0 "[ . 1 . 2]" 1
1018 1 46 CYS H 1 51 TRP HE3 3.118 . 4.285 3.371 3.047 3.596 . 0 0 "[ . 1 . 2]" 1
1019 1 46 CYS H 1 51 TRP HZ3 3.055 . 4.175 3.014 2.689 3.335 . 0 0 "[ . 1 . 2]" 1
1020 1 46 CYS H 1 52 SER H 4.063 2.082 6.044 4.842 4.735 4.963 . 0 0 "[ . 1 . 2]" 1
1021 1 46 CYS HA 1 46 CYS HB2 2.529 . 3.297 2.591 2.464 3.014 . 0 0 "[ . 1 . 2]" 1
1022 1 46 CYS HA 1 46 CYS HB3 2.613 . 3.432 2.951 2.335 3.032 . 0 0 "[ . 1 . 2]" 1
1023 1 46 CYS HA 1 47 MET H 2.193 . 2.770 2.199 2.123 2.317 . 0 0 "[ . 1 . 2]" 1
1024 1 46 CYS HA 1 47 MET HG2 3.204 . 4.436 4.267 3.983 4.478 0.042 17 0 "[ . 1 . 2]" 1
1025 1 46 CYS HA 1 50 GLY H 3.938 2.077 5.799 4.420 3.979 4.828 . 0 0 "[ . 1 . 2]" 1
1026 1 46 CYS HA 1 51 TRP H 2.909 . 3.925 3.742 3.298 4.008 0.083 7 0 "[ . 1 . 2]" 1
1027 1 46 CYS HA 1 51 TRP HA 2.480 . 3.218 2.404 1.947 2.781 . 0 0 "[ . 1 . 2]" 1
1028 1 46 CYS HA 1 51 TRP HE3 2.814 . 3.764 3.298 2.911 3.585 . 0 0 "[ . 1 . 2]" 1
1029 1 46 CYS HA 1 52 SER H 3.107 . 4.265 3.543 3.067 3.951 . 0 0 "[ . 1 . 2]" 1
1030 1 46 CYS HB2 1 47 MET H 3.321 . 4.645 4.271 4.033 4.406 . 0 0 "[ . 1 . 2]" 1
1031 1 46 CYS HB2 1 50 GLY H 3.778 2.065 5.491 4.485 3.902 4.885 . 0 0 "[ . 1 . 2]" 1
1032 1 46 CYS HB2 1 51 TRP HE3 3.289 . 4.587 3.904 3.355 5.069 0.482 11 0 "[ . 1 . 2]" 1
1033 1 46 CYS HB2 1 51 TRP HZ3 3.018 . 4.111 3.548 3.071 4.345 0.234 11 0 "[ . 1 . 2]" 1
1034 1 46 CYS HB3 1 50 GLY H 4.095 2.082 6.108 4.987 4.083 5.632 . 0 0 "[ . 1 . 2]" 1
1035 1 46 CYS HB3 1 51 TRP HZ3 3.381 2.010 4.752 4.618 4.372 4.863 0.111 12 0 "[ . 1 . 2]" 1
1036 1 47 MET H 1 47 MET HA 2.921 . 3.945 2.895 2.823 2.931 . 0 0 "[ . 1 . 2]" 1
1037 1 47 MET H 1 47 MET HB2 2.892 . 3.896 3.653 3.616 3.713 . 0 0 "[ . 1 . 2]" 1
1038 1 47 MET H 1 47 MET HB3 2.898 . 3.906 2.596 2.479 2.749 . 0 0 "[ . 1 . 2]" 1
1039 1 47 MET H 1 47 MET HG2 2.640 . 3.476 2.295 2.090 2.469 . 0 0 "[ . 1 . 2]" 1
1040 1 47 MET H 1 47 MET HG3 2.947 . 3.989 3.406 3.069 3.754 . 0 0 "[ . 1 . 2]" 1
1041 1 47 MET H 1 48 GLU H 3.531 2.035 5.027 3.484 2.382 4.386 . 0 0 "[ . 1 . 2]" 1
1042 1 47 MET H 1 48 GLU HA 3.677 2.054 5.300 3.751 3.240 4.226 . 0 0 "[ . 1 . 2]" 1
1043 1 47 MET H 1 50 GLY H 3.162 . 4.362 3.820 3.207 4.363 0.001 6 0 "[ . 1 . 2]" 1
1044 1 47 MET H 1 50 GLY HA2 3.826 2.069 5.583 4.941 4.501 5.431 . 0 0 "[ . 1 . 2]" 1
1045 1 47 MET H 1 50 GLY HA3 4.090 2.082 6.098 4.285 3.550 4.946 . 0 0 "[ . 1 . 2]" 1
1046 1 47 MET H 1 51 TRP HA 2.933 . 3.965 3.292 3.079 3.670 . 0 0 "[ . 1 . 2]" 1
1047 1 47 MET H 1 51 TRP HE3 3.594 2.044 5.144 4.853 4.384 5.161 0.017 8 0 "[ . 1 . 2]" 1
1048 1 47 MET H 1 52 SER H 3.403 2.014 4.792 3.131 2.793 3.500 . 0 0 "[ . 1 . 2]" 1
1049 1 47 MET HA 1 47 MET HB2 2.756 . 3.667 2.378 2.322 2.434 . 0 0 "[ . 1 . 2]" 1
1050 1 47 MET HA 1 47 MET HB3 2.788 . 3.721 2.537 2.453 2.627 . 0 0 "[ . 1 . 2]" 1
1051 1 47 MET HA 1 47 MET HG3 2.674 . 3.532 3.658 3.615 3.698 0.166 8 0 "[ . 1 . 2]" 1
1052 1 47 MET HA 1 48 GLU H 2.685 . 3.550 3.163 2.745 3.540 . 0 0 "[ . 1 . 2]" 1
1053 1 47 MET HA 1 48 GLU HA 3.047 . 4.161 4.034 3.894 4.162 0.001 18 0 "[ . 1 . 2]" 1
1054 1 47 MET QB 1 47 MET HG2 2.318 . 2.963 2.331 2.290 2.391 . 0 0 "[ . 1 . 2]" 1
1055 1 47 MET QB 1 47 MET HG3 2.281 . 2.905 2.338 2.272 2.381 . 0 0 "[ . 1 . 2]" 1
1056 1 47 MET HB2 1 47 MET QG 2.073 . 2.589 2.338 2.272 2.382 . 0 0 "[ . 1 . 2]" 1
1057 1 47 MET HB2 1 48 GLU H 2.882 . 3.879 2.869 1.899 3.900 0.021 7 0 "[ . 1 . 2]" 1
1058 1 47 MET HB2 1 49 ASN H 3.952 2.078 5.826 4.609 4.064 5.418 . 0 0 "[ . 1 . 2]" 1
1059 1 47 MET HB2 1 50 GLY H 4.191 2.083 6.299 5.672 4.686 6.305 0.006 2 0 "[ . 1 . 2]" 1
1060 1 47 MET HB2 1 52 SER HB2 2.712 . 3.595 3.878 3.219 4.557 0.962 11 9 "[** *-* * 1+ .** 2]" 1
1061 1 47 MET HB3 1 47 MET QG 2.087 . 2.610 2.330 2.290 2.390 . 0 0 "[ . 1 . 2]" 1
1062 1 47 MET HB3 1 48 GLU H 2.885 . 3.883 3.685 3.365 3.937 0.054 7 0 "[ . 1 . 2]" 1
1063 1 47 MET HB3 1 49 ASN H 3.866 2.072 5.660 5.216 4.788 5.720 0.060 8 0 "[ . 1 . 2]" 1
1064 1 47 MET HB3 1 52 SER H 3.448 2.021 4.875 3.747 3.366 4.194 . 0 0 "[ . 1 . 2]" 1
1065 1 47 MET HB3 1 52 SER HB2 2.460 . 3.186 2.534 1.657 3.318 0.132 1 0 "[ . 1 . 2]" 1
1066 1 47 MET HB3 1 52 SER HB3 2.440 . 3.154 2.559 1.653 3.269 0.115 12 0 "[ . 1 . 2]" 1
1067 1 47 MET QG 1 48 GLU H 2.227 . 2.822 2.039 1.859 2.261 . 0 0 "[ . 1 . 2]" 1
1068 1 47 MET HG2 1 48 GLU H 2.541 . 3.316 3.041 2.385 3.483 0.167 19 0 "[ . 1 . 2]" 1
1069 1 47 MET HG2 1 49 ASN H 2.766 . 3.684 3.390 2.878 3.721 0.037 10 0 "[ . 1 . 2]" 1
1070 1 47 MET HG2 1 50 GLY H 3.126 . 4.299 3.662 2.703 4.270 . 0 0 "[ . 1 . 2]" 1
1071 1 47 MET HG2 1 52 SER H 3.944 2.077 5.811 3.742 3.310 4.194 . 0 0 "[ . 1 . 2]" 1
1072 1 47 MET HG2 1 52 SER HB2 2.756 . 3.668 3.330 2.254 4.547 0.879 17 6 "[ * -. * 1* .*+ 2]" 1
1073 1 47 MET HG3 1 48 GLU H 2.547 . 3.325 2.112 1.921 2.499 . 0 0 "[ . 1 . 2]" 1
1074 1 47 MET HG3 1 48 GLU HA 3.260 . 4.535 4.098 3.969 4.238 . 0 0 "[ . 1 . 2]" 1
1075 1 47 MET HG3 1 49 ASN H 3.081 . 4.220 2.319 1.883 3.112 0.059 19 0 "[ . 1 . 2]" 1
1076 1 47 MET HG3 1 52 SER HB2 3.254 . 4.525 4.461 3.617 5.414 0.889 16 8 "[-* *.* * 1* .+* 2]" 1
1077 1 48 GLU H 1 48 GLU HA 2.325 . 2.973 2.796 2.732 2.835 . 0 0 "[ . 1 . 2]" 1
1078 1 48 GLU H 1 48 GLU HB3 2.532 . 3.301 2.811 2.370 3.197 . 0 0 "[ . 1 . 2]" 1
1079 1 48 GLU H 1 49 ASN H 2.741 . 3.642 2.754 2.413 2.985 . 0 0 "[ . 1 . 2]" 1
1080 1 48 GLU H 1 49 ASN QB 4.327 2.080 6.574 4.889 4.380 5.333 . 0 0 "[ . 1 . 2]" 1
1081 1 48 GLU H 1 50 GLY H 3.672 2.054 5.290 3.505 2.175 4.717 . 0 0 "[ . 1 . 2]" 1
1082 1 48 GLU H 1 52 SER HB2 4.112 2.083 6.141 5.604 4.650 6.700 0.559 2 1 "[ + . 1 . 2]" 1
1083 1 48 GLU HA 1 48 GLU HB2 2.110 . 2.644 2.447 2.359 2.540 . 0 0 "[ . 1 . 2]" 1
1084 1 48 GLU HA 1 48 GLU QG 2.222 . 2.815 2.575 2.406 2.921 0.106 10 0 "[ . 1 . 2]" 1
1085 1 48 GLU HA 1 49 ASN H 2.733 . 3.630 3.550 3.527 3.568 . 0 0 "[ . 1 . 2]" 1
1086 1 48 GLU HA 1 50 GLY H 3.300 . 4.607 4.024 3.656 4.652 0.045 16 0 "[ . 1 . 2]" 1
1087 1 48 GLU HB2 1 49 ASN H 2.757 . 3.669 3.636 3.310 3.767 0.098 13 0 "[ . 1 . 2]" 1
1088 1 48 GLU HB2 1 50 GLY H 4.053 2.082 6.024 5.482 5.081 6.104 0.080 16 0 "[ . 1 . 2]" 1
1089 1 48 GLU HB3 1 49 ASN H 2.825 . 3.782 2.185 1.772 2.392 0.096 7 0 "[ . 1 . 2]" 1
1090 1 48 GLU QG 1 49 ASN H 2.680 . 3.542 3.177 2.710 3.551 0.009 16 0 "[ . 1 . 2]" 1
1091 1 48 GLU QG 1 49 ASN HA 3.015 . 4.106 3.598 3.162 4.405 0.299 7 0 "[ . 1 . 2]" 1
1092 1 48 GLU QG 1 49 ASN QB 2.771 . 3.693 3.491 3.070 3.777 0.084 20 0 "[ . 1 . 2]" 1
1093 1 49 ASN H 1 49 ASN HA 2.921 . 3.945 2.905 2.868 2.940 . 0 0 "[ . 1 . 2]" 1
1094 1 49 ASN H 1 49 ASN QB 2.730 . 3.527 2.524 2.121 2.852 . 0 0 "[ . 1 . 2]" 1
1095 1 49 ASN H 1 49 ASN HD21 3.742 2.062 5.422 4.263 2.304 4.997 . 0 0 "[ . 1 . 2]" 1
1096 1 49 ASN H 1 50 GLY H 2.429 . 3.137 2.890 2.297 3.272 0.135 5 0 "[ . 1 . 2]" 1
1097 1 49 ASN H 1 50 GLY HA2 3.874 2.073 5.675 5.090 4.850 5.395 . 0 0 "[ . 1 . 2]" 1
1098 1 49 ASN HA 1 49 ASN QB 2.516 . 3.276 2.305 2.177 2.518 . 0 0 "[ . 1 . 2]" 1
1099 1 49 ASN HA 1 50 GLY H 3.042 . 4.153 2.913 2.513 3.353 . 0 0 "[ . 1 . 2]" 1
1100 1 49 ASN QB 1 49 ASN HD21 3.039 . 4.148 2.192 2.123 2.717 . 0 0 "[ . 1 . 2]" 1
1101 1 49 ASN QB 1 49 ASN HD22 2.799 . 3.726 3.244 3.204 3.454 . 0 0 "[ . 1 . 2]" 1
1102 1 49 ASN QB 1 50 GLY H 3.438 2.019 4.857 3.904 3.697 4.048 . 0 0 "[ . 1 . 2]" 1
1103 1 50 GLY H 1 50 GLY HA2 2.450 . 3.170 2.921 2.847 2.955 . 0 0 "[ . 1 . 2]" 1
1104 1 50 GLY H 1 50 GLY HA3 2.343 . 3.002 2.442 2.313 2.736 . 0 0 "[ . 1 . 2]" 1
1105 1 50 GLY HA2 1 51 TRP H 2.428 . 3.135 2.372 2.142 2.515 . 0 0 "[ . 1 . 2]" 1
1106 1 50 GLY HA2 1 52 SER H 4.102 2.083 6.121 5.450 5.295 5.582 . 0 0 "[ . 1 . 2]" 1
1107 1 50 GLY HA3 1 51 TRP H 2.343 . 3.002 2.726 2.519 3.016 0.014 11 0 "[ . 1 . 2]" 1
1108 1 51 TRP H 1 51 TRP HA 2.930 . 3.960 2.789 2.732 2.826 . 0 0 "[ . 1 . 2]" 1
1109 1 51 TRP H 1 51 TRP HB2 2.444 . 3.161 2.543 2.425 2.663 . 0 0 "[ . 1 . 2]" 1
1110 1 51 TRP H 1 51 TRP HB3 2.680 . 3.542 3.562 3.535 3.597 0.055 12 0 "[ . 1 . 2]" 1
1111 1 51 TRP H 1 51 TRP HD1 2.700 . 3.575 3.042 2.638 3.431 . 0 0 "[ . 1 . 2]" 1
1112 1 51 TRP H 1 51 TRP HE1 4.078 2.083 6.073 4.590 4.284 4.801 . 0 0 "[ . 1 . 2]" 1
1113 1 51 TRP H 1 51 TRP HE3 3.731 2.060 5.402 4.416 3.967 4.631 . 0 0 "[ . 1 . 2]" 1
1114 1 51 TRP H 1 52 SER H 3.661 2.053 5.269 4.505 4.417 4.570 . 0 0 "[ . 1 . 2]" 1
1115 1 51 TRP H 1 54 THR MG 3.929 2.076 5.782 5.156 4.650 5.565 . 0 0 "[ . 1 . 2]" 1
1116 1 51 TRP H 1 55 PRO HD3 3.362 2.005 4.719 4.557 4.357 4.702 . 0 0 "[ . 1 . 2]" 1
1117 1 51 TRP HA 1 51 TRP HB2 2.837 . 3.803 3.023 3.014 3.031 . 0 0 "[ . 1 . 2]" 1
1118 1 51 TRP HA 1 51 TRP HB3 2.602 . 3.415 2.463 2.415 2.510 . 0 0 "[ . 1 . 2]" 1
1119 1 51 TRP HA 1 51 TRP HE3 2.463 . 3.191 2.336 1.892 2.659 . 0 0 "[ . 1 . 2]" 1
1120 1 51 TRP HA 1 52 SER H 2.368 . 3.041 2.157 2.134 2.192 . 0 0 "[ . 1 . 2]" 1
1121 1 51 TRP HA 1 54 THR HA 3.211 . 4.448 4.492 4.270 4.617 0.169 7 0 "[ . 1 . 2]" 1
1122 1 51 TRP HB2 1 51 TRP HD1 2.547 . 3.325 2.548 2.531 2.586 . 0 0 "[ . 1 . 2]" 1
1123 1 51 TRP HB2 1 51 TRP HE3 2.979 . 4.044 4.202 4.139 4.221 0.177 19 0 "[ . 1 . 2]" 1
1124 1 51 TRP HB2 1 52 SER H 3.340 2.001 4.679 4.222 4.087 4.346 . 0 0 "[ . 1 . 2]" 1
1125 1 51 TRP HB2 1 54 THR H 4.047 2.082 6.012 3.465 3.012 3.756 . 0 0 "[ . 1 . 2]" 1
1126 1 51 TRP HB2 1 54 THR HA 2.670 . 3.525 2.613 2.085 3.095 . 0 0 "[ . 1 . 2]" 1
1127 1 51 TRP HB2 1 54 THR MG 3.152 . 4.344 3.555 3.135 3.792 . 0 0 "[ . 1 . 2]" 1
1128 1 51 TRP HB2 1 55 PRO HD2 2.642 . 3.479 2.857 2.483 3.152 . 0 0 "[ . 1 . 2]" 1
1129 1 51 TRP HB2 1 55 PRO HD3 2.446 . 3.164 2.135 1.893 2.356 . 0 0 "[ . 1 . 2]" 1
1130 1 51 TRP HB2 1 55 PRO HG3 3.249 . 4.516 3.690 3.113 4.449 . 0 0 "[ . 1 . 2]" 1
1131 1 51 TRP HB3 1 51 TRP HD1 2.898 . 3.906 3.620 3.471 3.729 . 0 0 "[ . 1 . 2]" 1
1132 1 51 TRP HB3 1 51 TRP HE3 2.703 . 3.579 2.941 2.704 3.181 . 0 0 "[ . 1 . 2]" 1
1133 1 51 TRP HB3 1 52 SER H 3.011 . 4.099 3.426 3.190 3.619 . 0 0 "[ . 1 . 2]" 1
1134 1 51 TRP HB3 1 54 THR H 4.298 2.082 6.514 2.863 2.396 3.162 . 0 0 "[ . 1 . 2]" 1
1135 1 51 TRP HB3 1 54 THR HA 2.690 . 3.558 2.974 2.213 3.586 0.028 8 0 "[ . 1 . 2]" 1
1136 1 51 TRP HB3 1 55 PRO HD2 2.670 . 3.525 3.502 3.257 3.609 0.084 18 0 "[ . 1 . 2]" 1
1137 1 51 TRP HB3 1 55 PRO HD3 2.485 . 3.226 1.912 1.769 2.093 . 0 0 "[ . 1 . 2]" 1
1138 1 51 TRP HB3 1 55 PRO HG2 3.162 . 4.362 4.381 4.030 4.542 0.180 16 0 "[ . 1 . 2]" 1
1139 1 51 TRP HB3 1 55 PRO HG3 3.159 . 4.356 3.301 3.113 3.656 . 0 0 "[ . 1 . 2]" 1
1140 1 51 TRP HD1 1 55 PRO HD2 3.301 . 4.608 3.236 2.892 3.705 . 0 0 "[ . 1 . 2]" 1
1141 1 51 TRP HD1 1 55 PRO HD3 3.084 . 4.226 3.346 2.932 3.661 . 0 0 "[ . 1 . 2]" 1
1142 1 51 TRP HD1 1 55 PRO HG2 3.028 . 4.129 3.353 2.784 3.776 . 0 0 "[ . 1 . 2]" 1
1143 1 51 TRP HE1 1 55 PRO HD3 4.349 2.079 6.619 5.104 4.523 5.546 . 0 0 "[ . 1 . 2]" 1
1144 1 51 TRP HE1 1 55 PRO HG3 4.038 2.082 5.994 4.045 3.384 4.898 . 0 0 "[ . 1 . 2]" 1
1145 1 51 TRP HE3 1 52 SER H 2.900 . 3.909 3.639 3.339 3.961 0.052 2 0 "[ . 1 . 2]" 1
1146 1 51 TRP HE3 1 55 PRO HG3 3.444 2.021 4.867 4.738 4.340 4.956 0.089 11 0 "[ . 1 . 2]" 1
1147 1 52 SER H 1 52 SER HB2 2.630 . 3.460 3.081 2.636 3.586 0.126 5 0 "[ . 1 . 2]" 1
1148 1 52 SER H 1 52 SER HB3 2.660 . 3.509 2.662 2.315 3.103 . 0 0 "[ . 1 . 2]" 1
1149 1 52 SER H 1 53 PRO HD3 3.873 2.073 5.673 2.601 2.339 2.793 . 0 0 "[ . 1 . 2]" 1
1150 1 52 SER H 1 53 PRO HG2 4.381 2.077 6.685 4.621 4.440 4.847 . 0 0 "[ . 1 . 2]" 1
1151 1 52 SER HA 1 52 SER HB2 2.346 . 3.007 2.500 2.345 2.690 . 0 0 "[ . 1 . 2]" 1
1152 1 52 SER HA 1 52 SER HB3 2.195 . 2.773 2.681 2.265 3.000 0.227 18 0 "[ . 1 . 2]" 1
1153 1 52 SER HA 1 54 THR H 3.020 . 4.115 3.907 3.636 4.137 0.022 15 0 "[ . 1 . 2]" 1
1154 1 53 PRO HA 1 53 PRO HB3 2.330 . 2.981 2.294 2.267 2.305 . 0 0 "[ . 1 . 2]" 1
1155 1 53 PRO HA 1 54 THR H 3.344 2.002 4.686 3.449 3.410 3.491 . 0 0 "[ . 1 . 2]" 1
1156 1 53 PRO HB2 1 53 PRO HD2 2.789 . 3.722 2.845 2.776 2.939 . 0 0 "[ . 1 . 2]" 1
1157 1 53 PRO HB2 1 53 PRO HD3 2.742 . 3.644 3.654 3.611 3.707 0.063 10 0 "[ . 1 . 2]" 1
1158 1 53 PRO HB2 1 53 PRO HG2 2.397 . 3.086 2.315 2.286 2.342 . 0 0 "[ . 1 . 2]" 1
1159 1 53 PRO HB2 1 54 THR H 2.411 . 3.109 3.009 2.810 3.178 0.069 6 0 "[ . 1 . 2]" 1
1160 1 53 PRO HB3 1 53 PRO HD2 2.761 . 3.676 3.823 3.792 3.858 0.182 7 0 "[ . 1 . 2]" 1
1161 1 53 PRO HB3 1 53 PRO HD3 3.057 . 4.178 4.058 4.026 4.080 . 0 0 "[ . 1 . 2]" 1
1162 1 53 PRO HB3 1 53 PRO HG2 2.356 . 3.022 2.646 2.629 2.683 . 0 0 "[ . 1 . 2]" 1
1163 1 53 PRO HD2 1 53 PRO HG2 2.220 . 2.811 2.313 2.289 2.339 . 0 0 "[ . 1 . 2]" 1
1164 1 53 PRO HD2 1 53 PRO HG3 2.362 . 3.031 2.988 2.974 3.002 . 0 0 "[ . 1 . 2]" 1
1165 1 53 PRO HD3 1 53 PRO HG2 2.422 . 3.126 2.664 2.638 2.692 . 0 0 "[ . 1 . 2]" 1
1166 1 53 PRO HD3 1 53 PRO HG3 2.509 . 3.264 2.329 2.313 2.348 . 0 0 "[ . 1 . 2]" 1
1167 1 53 PRO HG2 1 54 THR H 3.538 2.036 5.040 4.203 4.060 4.453 . 0 0 "[ . 1 . 2]" 1
1168 1 53 PRO HG3 1 54 THR H 3.436 2.019 4.853 4.385 4.276 4.440 . 0 0 "[ . 1 . 2]" 1
1169 1 54 THR H 1 54 THR HA 2.694 . 3.565 2.256 2.249 2.265 . 0 0 "[ . 1 . 2]" 1
1170 1 54 THR H 1 55 PRO HD2 3.298 . 4.603 4.268 3.899 4.644 0.041 12 0 "[ . 1 . 2]" 1
1171 1 54 THR H 1 55 PRO HD3 3.455 2.023 4.887 3.169 2.968 3.369 . 0 0 "[ . 1 . 2]" 1
1172 1 54 THR HA 1 54 THR HB 2.442 . 3.158 3.027 3.021 3.034 . 0 0 "[ . 1 . 2]" 1
1173 1 54 THR HA 1 54 THR MG 2.191 . 2.767 2.353 2.286 2.423 . 0 0 "[ . 1 . 2]" 1
1174 1 54 THR HA 1 55 PRO HD2 2.217 . 2.807 2.280 2.056 2.540 . 0 0 "[ . 1 . 2]" 1
1175 1 54 THR HA 1 55 PRO HD3 2.164 . 2.726 2.082 1.870 2.325 . 0 0 "[ . 1 . 2]" 1
1176 1 54 THR HA 1 55 PRO HG3 3.136 . 4.316 4.233 4.062 4.365 0.049 9 0 "[ . 1 . 2]" 1
1177 1 54 THR HB 1 54 THR MG 1.990 . 2.465 2.137 2.135 2.139 . 0 0 "[ . 1 . 2]" 1
1178 1 54 THR HB 1 56 ARG QG 3.182 . 4.397 3.257 2.579 4.396 . 0 0 "[ . 1 . 2]" 1
1179 1 54 THR MG 1 55 PRO HA 2.894 . 3.899 3.686 3.636 3.731 . 0 0 "[ . 1 . 2]" 1
1180 1 54 THR MG 1 56 ARG H 3.765 2.064 5.466 3.735 3.381 4.176 . 0 0 "[ . 1 . 2]" 1
1181 1 54 THR MG 1 56 ARG H 3.300 . 4.606 3.820 3.419 4.372 . 0 0 "[ . 1 . 2]" 1
1182 1 54 THR MG 1 56 ARG QB 2.623 . 3.449 3.070 2.595 3.363 . 0 0 "[ . 1 . 2]" 1
1183 1 54 THR MG 1 56 ARG QD 2.532 . 3.301 2.487 2.133 3.339 0.038 9 0 "[ . 1 . 2]" 1
1184 1 54 THR MG 1 56 ARG HE 4.192 2.083 6.301 3.783 2.173 5.400 . 0 0 "[ . 1 . 2]" 1
1185 1 55 PRO HA 1 55 PRO HB3 2.363 . 3.033 2.271 2.251 2.299 . 0 0 "[ . 1 . 2]" 1
1186 1 55 PRO HA 1 55 PRO HG2 3.153 . 4.346 3.960 3.837 4.047 . 0 0 "[ . 1 . 2]" 1
1187 1 55 PRO HA 1 55 PRO HG3 2.966 . 4.022 3.712 3.122 4.022 0.000 9 0 "[ . 1 . 2]" 1
1188 1 55 PRO HA 1 56 ARG H 2.009 . 2.493 2.293 2.139 2.430 . 0 0 "[ . 1 . 2]" 1
1189 1 55 PRO HB2 1 55 PRO HD2 2.975 . 4.037 3.641 3.050 4.031 . 0 0 "[ . 1 . 2]" 1
1190 1 55 PRO HB2 1 55 PRO HD3 2.996 . 4.073 3.992 3.918 4.078 0.005 19 0 "[ . 1 . 2]" 1
1191 1 55 PRO HB2 1 55 PRO HG3 2.672 . 3.529 2.803 2.665 2.969 . 0 0 "[ . 1 . 2]" 1
1192 1 55 PRO HB3 1 55 PRO HD2 3.158 . 4.355 3.939 3.869 3.989 . 0 0 "[ . 1 . 2]" 1
1193 1 55 PRO HB3 1 55 PRO HD3 2.913 . 3.931 3.502 2.994 4.000 0.069 12 0 "[ . 1 . 2]" 1
1194 1 55 PRO HB3 1 55 PRO HG3 2.457 . 3.182 2.281 2.246 2.323 . 0 0 "[ . 1 . 2]" 1
1195 1 55 PRO HD2 1 55 PRO HG2 2.217 . 2.807 2.269 2.244 2.305 . 0 0 "[ . 1 . 2]" 1
1196 1 55 PRO HD2 1 55 PRO HG3 2.580 . 3.379 2.849 2.716 2.983 . 0 0 "[ . 1 . 2]" 1
1197 1 55 PRO HD3 1 55 PRO HG2 2.406 . 3.100 2.849 2.689 2.975 . 0 0 "[ . 1 . 2]" 1
1198 1 55 PRO HD3 1 55 PRO HG3 2.494 . 3.240 2.268 2.243 2.295 . 0 0 "[ . 1 . 2]" 1
1199 1 56 ARG H 1 56 ARG HA 2.742 . 3.644 2.906 2.875 2.932 . 0 0 "[ . 1 . 2]" 1
1200 1 56 ARG H 1 56 ARG QB 3.030 . 4.131 3.123 2.641 3.308 . 0 0 "[ . 1 . 2]" 1
1201 1 56 ARG H 1 56 ARG QD 4.214 2.083 6.345 4.397 4.217 4.554 . 0 0 "[ . 1 . 2]" 1
1202 1 56 ARG H 1 56 ARG QG 2.941 . 3.979 2.587 2.306 3.332 . 0 0 "[ . 1 . 2]" 1
1203 1 56 ARG HA 1 56 ARG QB 2.455 . 3.178 2.229 2.174 2.429 . 0 0 "[ . 1 . 2]" 1
1204 1 56 ARG HA 1 56 ARG QD 3.329 . 4.659 4.369 4.009 4.570 . 0 0 "[ . 1 . 2]" 1
1205 1 56 ARG HA 1 57 CYS HA 3.310 . 4.624 4.422 4.326 4.647 0.023 15 0 "[ . 1 . 2]" 1
1206 1 56 ARG HA 1 57 CYS QB 3.362 2.006 4.718 4.464 4.240 4.600 . 0 0 "[ . 1 . 2]" 1
1207 1 56 ARG QB 1 56 ARG QD 2.746 . 3.614 2.250 2.074 2.406 . 0 0 "[ . 1 . 2]" 1
1208 1 56 ARG QB 1 56 ARG HE 4.064 2.082 5.519 2.899 1.972 3.988 0.110 9 0 "[ . 1 . 2]" 1
1209 1 56 ARG QB 1 58 ILE MG 3.306 . 4.617 3.455 2.333 4.485 . 0 0 "[ . 1 . 2]" 1
1210 1 56 ARG QD 1 56 ARG QG 2.338 . 2.994 2.036 1.988 2.092 . 0 0 "[ . 1 . 2]" 1
1211 1 56 ARG HE 1 56 ARG QG 3.376 2.008 4.744 2.492 2.223 3.091 . 0 0 "[ . 1 . 2]" 1
1212 1 56 ARG HE 1 58 ILE MG 4.247 2.083 6.411 4.485 2.681 6.453 0.042 1 0 "[ . 1 . 2]" 1
1213 1 57 CYS HA 1 57 CYS QB 2.711 . 3.593 2.292 2.160 2.410 . 0 0 "[ . 1 . 2]" 1
1214 1 57 CYS HA 1 58 ILE H 2.466 . 3.196 2.174 2.084 2.368 . 0 0 "[ . 1 . 2]" 1
1215 1 57 CYS QB 1 58 ILE H 3.043 2.077 4.154 3.515 3.041 3.847 . 0 0 "[ . 1 . 2]" 1
1216 1 58 ILE H 1 58 ILE HB 2.614 . 3.434 3.568 3.535 3.614 0.180 14 0 "[ . 1 . 2]" 1
1217 1 58 ILE H 1 58 ILE MD 3.550 2.038 5.062 3.591 3.534 3.670 . 0 0 "[ . 1 . 2]" 1
1218 1 58 ILE H 1 58 ILE HG12 2.799 . 3.739 1.917 1.832 2.111 0.027 1 0 "[ . 1 . 2]" 1
1219 1 58 ILE H 1 58 ILE HG13 2.733 . 3.629 2.553 2.319 2.837 . 0 0 "[ . 1 . 2]" 1
1220 1 58 ILE H 1 58 ILE MG 2.702 . 3.578 2.751 2.362 3.137 . 0 0 "[ . 1 . 2]" 1
1221 1 58 ILE H 1 59 ARG H 3.573 2.041 5.105 4.547 4.473 4.596 . 0 0 "[ . 1 . 2]" 1
1222 1 58 ILE HA 1 58 ILE HB 2.342 . 3.000 2.550 2.497 2.592 . 0 0 "[ . 1 . 2]" 1
1223 1 58 ILE HA 1 58 ILE MG 2.251 . 2.859 2.241 2.197 2.294 . 0 0 "[ . 1 . 2]" 1
1224 1 58 ILE HA 1 59 ARG H 2.459 . 3.185 2.266 2.155 2.393 . 0 0 "[ . 1 . 2]" 1
1225 1 58 ILE HA 1 59 ARG HB2 3.355 2.004 4.706 4.433 4.219 4.658 . 0 0 "[ . 1 . 2]" 1
1226 1 58 ILE HA 1 59 ARG HB3 3.321 . 4.644 4.631 4.433 4.821 0.177 3 0 "[ . 1 . 2]" 1
1227 1 58 ILE HB 1 58 ILE MD 2.207 . 2.792 2.382 2.313 2.414 . 0 0 "[ . 1 . 2]" 1
1228 1 58 ILE HB 1 58 ILE HG12 2.322 . 2.969 3.013 3.007 3.016 0.047 17 0 "[ . 1 . 2]" 1
1229 1 58 ILE HB 1 58 ILE HG13 2.519 . 3.281 2.503 2.482 2.524 . 0 0 "[ . 1 . 2]" 1
1230 1 58 ILE HB 1 58 ILE MG 2.012 . 2.498 2.124 2.118 2.129 . 0 0 "[ . 1 . 2]" 1
1231 1 58 ILE HB 1 59 ARG H 2.334 . 2.988 2.776 2.396 3.000 0.012 16 0 "[ . 1 . 2]" 1
1232 1 58 ILE MD 1 58 ILE HG12 2.087 . 2.609 2.116 2.114 2.119 . 0 0 "[ . 1 . 2]" 1
1233 1 58 ILE MD 1 58 ILE HG13 2.069 . 2.583 2.121 2.115 2.127 . 0 0 "[ . 1 . 2]" 1
1234 1 58 ILE HG13 1 59 ARG H 3.366 2.007 4.725 4.307 4.064 4.477 . 0 0 "[ . 1 . 2]" 1
1235 1 59 ARG H 1 59 ARG HA 2.561 . 3.348 2.825 2.800 2.871 . 0 0 "[ . 1 . 2]" 1
1236 1 59 ARG H 1 59 ARG HB2 2.387 . 3.071 2.556 2.286 2.787 . 0 0 "[ . 1 . 2]" 1
1237 1 59 ARG H 1 59 ARG HB3 2.349 . 3.011 2.392 2.233 2.623 . 0 0 "[ . 1 . 2]" 1
1238 1 59 ARG H 1 59 ARG HG2 3.021 . 4.116 4.302 4.189 4.415 0.299 3 0 "[ . 1 . 2]" 1
1239 1 59 ARG H 1 59 ARG HG3 3.062 . 4.187 4.381 4.241 4.446 0.259 9 0 "[ . 1 . 2]" 1
1240 1 59 ARG H 1 60 VAL H 3.482 2.027 4.937 4.379 4.234 4.458 . 0 0 "[ . 1 . 2]" 1
1241 1 59 ARG HA 1 59 ARG HB2 2.378 . 3.056 2.448 2.369 2.565 . 0 0 "[ . 1 . 2]" 1
1242 1 59 ARG HA 1 59 ARG HB3 2.579 . 3.377 3.017 3.006 3.027 . 0 0 "[ . 1 . 2]" 1
1243 1 59 ARG HA 1 59 ARG HG2 2.789 . 3.723 3.141 2.811 3.431 . 0 0 "[ . 1 . 2]" 1
1244 1 59 ARG HA 1 59 ARG HG3 2.486 . 3.228 2.539 2.421 2.672 . 0 0 "[ . 1 . 2]" 1
1245 1 59 ARG HA 1 60 VAL H 1.985 . 2.458 2.048 1.994 2.096 . 0 0 "[ . 1 . 2]" 1
1246 1 59 ARG HA 1 60 VAL HA 3.068 . 4.197 4.305 4.261 4.338 0.141 12 0 "[ . 1 . 2]" 1
1247 1 59 ARG HA 1 60 VAL HB 3.020 . 4.114 4.279 4.220 4.362 0.248 5 0 "[ . 1 . 2]" 1
1248 1 59 ARG HA 1 61 LYS H 3.309 . 4.623 3.550 3.261 4.039 . 0 0 "[ . 1 . 2]" 1
1249 1 59 ARG HB2 1 59 ARG QD 2.548 . 3.327 2.433 2.284 2.841 . 0 0 "[ . 1 . 2]" 1
1250 1 59 ARG HB2 1 59 ARG HE 3.937 2.077 5.797 3.932 2.186 4.509 . 0 0 "[ . 1 . 2]" 1
1251 1 59 ARG HB2 1 60 VAL H 3.218 . 4.460 4.238 4.123 4.373 . 0 0 "[ . 1 . 2]" 1
1252 1 59 ARG HB2 1 61 LYS H 3.774 2.065 5.483 4.784 4.307 5.234 . 0 0 "[ . 1 . 2]" 1
1253 1 59 ARG HB3 1 59 ARG QD 2.661 . 3.511 2.567 2.341 3.029 . 0 0 "[ . 1 . 2]" 1
1254 1 59 ARG HB3 1 60 VAL H 3.191 . 4.413 4.266 4.069 4.392 . 0 0 "[ . 1 . 2]" 1
1255 1 59 ARG HB3 1 60 VAL H 3.230 . 4.482 4.062 3.743 4.280 . 0 0 "[ . 1 . 2]" 1
1256 1 59 ARG QD 1 59 ARG HG2 2.515 . 3.274 2.336 2.154 2.453 . 0 0 "[ . 1 . 2]" 1
1257 1 59 ARG QD 1 59 ARG HG3 2.477 . 3.213 2.289 2.160 2.483 . 0 0 "[ . 1 . 2]" 1
1258 1 59 ARG QD 1 61 LYS H 3.982 2.079 5.885 4.302 3.725 5.155 . 0 0 "[ . 1 . 2]" 1
1259 1 59 ARG HE 1 59 ARG HG3 3.615 2.047 5.183 2.941 2.221 3.740 . 0 0 "[ . 1 . 2]" 1
1260 1 59 ARG HG2 1 60 VAL H 2.982 . 4.049 3.402 2.983 3.827 . 0 0 "[ . 1 . 2]" 1
1261 1 59 ARG HG2 1 61 LYS H 3.315 . 4.633 2.564 1.936 3.657 0.061 15 0 "[ . 1 . 2]" 1
1262 1 59 ARG HG2 1 61 LYS H 2.832 . 3.794 2.387 1.882 2.950 . 0 0 "[ . 1 . 2]" 1
1263 1 59 ARG HG3 1 60 VAL H 2.974 . 4.035 3.271 2.811 3.579 . 0 0 "[ . 1 . 2]" 1
1264 1 59 ARG HG3 1 61 LYS H 3.369 2.007 4.731 2.981 2.184 3.807 . 0 0 "[ . 1 . 2]" 1
1265 1 60 VAL H 1 60 VAL HA 2.470 . 3.202 2.880 2.774 2.926 . 0 0 "[ . 1 . 2]" 1
1266 1 60 VAL H 1 60 VAL HB 2.449 . 3.169 2.554 2.386 2.740 . 0 0 "[ . 1 . 2]" 1
1267 1 60 VAL H 1 60 VAL MG1 2.171 . 2.737 2.374 1.961 3.724 0.987 12 3 "[ * 1 + -. 2]" 1
1268 1 60 VAL H 1 61 LYS H 2.598 . 3.408 2.334 1.961 3.140 . 0 0 "[ . 1 . 2]" 1
1269 1 60 VAL H 1 61 LYS HA 4.049 2.081 6.017 4.840 4.410 5.214 . 0 0 "[ . 1 . 2]" 1
1270 1 60 VAL HA 1 60 VAL HB 2.503 . 3.255 2.591 2.464 3.018 . 0 0 "[ . 1 . 2]" 1
1271 1 60 VAL HA 1 60 VAL MG2 2.214 . 2.802 2.305 2.269 2.405 . 0 0 "[ . 1 . 2]" 1
1272 1 60 VAL HB 1 60 VAL MG2 1.948 . 2.403 2.127 2.115 2.131 . 0 0 "[ . 1 . 2]" 1
1273 1 60 VAL MG1 1 61 LYS H 2.702 . 3.578 2.767 1.854 3.780 0.202 2 0 "[ . 1 . 2]" 1
1274 1 61 LYS H 1 61 LYS HA 2.478 . 3.215 2.819 2.232 2.932 . 0 0 "[ . 1 . 2]" 1
1275 1 61 LYS H 1 61 LYS HB2 2.860 . 3.841 3.052 2.421 3.841 . 0 0 "[ . 1 . 2]" 1
1276 1 61 LYS H 1 61 LYS HB3 2.671 . 3.527 3.257 2.429 4.030 0.503 15 1 "[ . 1 + 2]" 1
1277 1 61 LYS H 1 61 LYS QG 3.024 . 4.122 3.417 2.087 4.243 0.121 16 0 "[ . 1 . 2]" 1
1278 1 61 LYS HA 1 61 LYS HB2 2.593 . 3.400 2.695 2.447 3.028 . 0 0 "[ . 1 . 2]" 1
1279 1 61 LYS HA 1 61 LYS HB3 2.248 . 2.854 2.739 2.364 3.030 0.176 17 0 "[ . 1 . 2]" 1
1280 1 61 LYS HA 1 61 LYS QG 2.857 . 3.836 2.663 2.228 3.356 . 0 0 "[ . 1 . 2]" 1
1281 1 61 LYS HB2 1 61 LYS QG 2.497 . 3.245 2.305 2.145 2.414 . 0 0 "[ . 1 . 2]" 1
1282 1 61 LYS HB3 1 61 LYS QG 2.089 . 2.613 1.916 1.890 1.954 . 0 0 "[ . 1 . 2]" 1
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