NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
644310 |
6qbk   |
34345 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6qbk
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 1408
_Distance_constraint_stats_list.Viol_count 1058
_Distance_constraint_stats_list.Viol_total 787.232
_Distance_constraint_stats_list.Viol_max 0.816
_Distance_constraint_stats_list.Viol_rms 0.0300
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0056
_Distance_constraint_stats_list.Viol_average_violations_only 0.0744
_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 SER 1.155 0.137 7 0 "[ . 1]"
1 2 TYR 1.108 0.177 7 0 "[ . 1]"
1 3 GLN 2.042 0.549 4 1 "[ +. 1]"
1 4 ARG 1.184 0.345 9 0 "[ . 1]"
1 5 ILE 1.498 0.345 9 0 "[ . 1]"
1 6 ARG 2.842 0.245 3 0 "[ . 1]"
1 7 SER 0.566 0.134 5 0 "[ . 1]"
1 8 ASP 0.599 0.128 2 0 "[ . 1]"
1 9 HIS 3.120 0.414 5 0 "[ . 1]"
1 10 ASP 1.325 0.142 8 0 "[ . 1]"
1 11 SER 2.933 0.792 10 1 "[ . +]"
1 12 HIS 7.367 0.549 4 1 "[ +. 1]"
1 13 SER 1.710 0.549 4 1 "[ +. 1]"
1 14 CYS 1.285 0.113 7 0 "[ . 1]"
1 15 ALA 2.020 0.146 8 0 "[ . 1]"
1 16 ASN 5.606 0.549 4 1 "[ +. 1]"
1 17 ASN 3.405 0.388 8 0 "[ . 1]"
1 18 ARG 4.836 0.388 8 0 "[ . 1]"
1 19 GLY 2.895 0.816 2 1 "[ + . 1]"
1 20 TRP 9.689 0.427 9 0 "[ . 1]"
1 21 CYS 1.354 0.114 3 0 "[ . 1]"
1 22 ARG 6.493 0.332 6 0 "[ . 1]"
1 23 PRO 1.274 0.111 8 0 "[ . 1]"
1 24 THR 1.313 0.123 7 0 "[ . 1]"
1 25 CYS 1.023 0.110 3 0 "[ . 1]"
1 26 PHE 2.459 0.155 10 0 "[ . 1]"
1 27 SER 0.546 0.205 1 0 "[ . 1]"
1 28 HIS 2.313 0.205 1 0 "[ . 1]"
1 29 GLU 2.305 0.109 5 0 "[ . 1]"
1 30 TYR 3.976 0.250 9 0 "[ . 1]"
1 31 THR 2.181 0.168 4 0 "[ . 1]"
1 32 ASP 5.250 0.257 9 0 "[ . 1]"
1 33 TRP 6.943 0.192 2 0 "[ . 1]"
1 34 PHE 1.973 0.816 2 1 "[ + . 1]"
1 35 ASN 5.846 0.593 6 3 "[ -*+ 1]"
1 36 ASN 5.079 0.172 2 0 "[ . 1]"
1 37 ASP 2.202 0.277 4 0 "[ . 1]"
1 38 VAL 6.793 0.290 5 0 "[ . 1]"
1 39 CYS 2.787 0.177 7 0 "[ . 1]"
1 40 GLY 0.328 0.102 5 0 "[ . 1]"
1 41 SER 0.097 0.038 8 0 "[ . 1]"
1 42 TYR 8.051 0.792 10 1 "[ . +]"
1 43 ARG 3.198 0.218 9 0 "[ . 1]"
1 44 CYS 5.201 0.257 9 0 "[ . 1]"
1 45 CYS 0.812 0.136 3 0 "[ . 1]"
1 46 ARG 2.614 0.177 4 0 "[ . 1]"
1 47 PRO 1.314 0.427 9 0 "[ . 1]"
1 48 GLY 1.825 0.156 9 0 "[ . 1]"
1 49 ARG 2.590 0.191 5 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 39 CYS H 1 39 CYS HA 2.412 . 3.139 2.568 2.531 2.598 . 0 0 "[ . 1]" 1
2 1 6 ARG H 1 6 ARG HA 2.302 . 2.964 2.528 2.495 2.554 . 0 0 "[ . 1]" 1
3 1 12 HIS HA 1 13 SER H 2.062 . 2.593 2.345 2.305 2.398 . 0 0 "[ . 1]" 1
4 1 16 ASN HA 1 17 ASN H 1.936 . 2.405 2.081 2.014 2.121 . 0 0 "[ . 1]" 1
5 1 16 ASN HA 1 18 ARG H 2.592 . 3.432 3.292 3.254 3.311 . 0 0 "[ . 1]" 1
6 1 24 THR HA 1 25 CYS H 1.834 . 2.254 1.994 1.967 2.010 . 0 0 "[ . 1]" 1
7 1 27 SER H 1 27 SER QB 2.181 . 2.776 2.459 2.263 2.539 . 0 0 "[ . 1]" 1
8 1 23 PRO HA 1 24 THR H 2.624 . 3.485 3.041 2.710 3.181 . 0 0 "[ . 1]" 1
9 1 34 PHE H 1 34 PHE QB 2.058 . 2.588 2.255 2.213 2.390 . 0 0 "[ . 1]" 1
10 1 34 PHE QB 1 34 PHE QD 2.305 . 2.969 2.122 2.101 2.133 . 0 0 "[ . 1]" 1
11 1 2 TYR QB 1 2 TYR QD 2.608 . 3.458 2.138 2.133 2.147 . 0 0 "[ . 1]" 1
12 1 43 ARG QD 1 43 ARG HE 2.425 . 3.160 2.459 2.417 2.484 . 0 0 "[ . 1]" 1
13 1 33 TRP H 1 33 TRP HB2 2.099 . 2.650 2.040 1.914 2.100 . 0 0 "[ . 1]" 1
14 1 39 CYS H 1 39 CYS HB3 2.342 . 3.027 2.896 2.748 3.002 . 0 0 "[ . 1]" 1
15 1 22 ARG QD 1 22 ARG HE 2.271 . 2.916 2.178 2.158 2.230 . 0 0 "[ . 1]" 1
16 1 20 TRP HD1 1 22 ARG QG 2.336 . 3.018 1.681 1.630 1.743 0.024 4 0 "[ . 1]" 1
17 1 16 ASN HA 1 17 ASN HB2 3.027 . 4.172 4.219 4.112 4.560 0.388 8 0 "[ . 1]" 1
18 1 12 HIS HA 1 12 HIS HB2 2.052 . 2.579 2.242 2.214 2.274 . 0 0 "[ . 1]" 1
19 1 27 SER HA 1 27 SER QB 1.952 . 2.428 2.344 2.324 2.379 . 0 0 "[ . 1]" 1
20 1 47 PRO HB3 1 49 ARG QD 2.411 . 3.138 2.816 2.208 3.212 0.074 9 0 "[ . 1]" 1
21 1 17 ASN HB2 1 47 PRO HG2 2.505 . 6.000 5.734 5.574 5.912 . 0 0 "[ . 1]" 1
22 1 47 PRO HG2 1 49 ARG QD 2.667 . 6.000 4.442 3.548 5.462 . 0 0 "[ . 1]" 1
23 1 20 TRP HB3 1 44 CYS HB2 3.586 . 5.193 5.055 4.743 5.300 0.107 8 0 "[ . 1]" 1
24 1 15 ALA MB 1 34 PHE HB3 2.528 . 6.000 3.083 2.425 3.269 . 0 0 "[ . 1]" 1
25 1 22 ARG HB2 1 22 ARG QG 2.383 . 3.093 2.314 2.291 2.333 . 0 0 "[ . 1]" 1
26 1 6 ARG QD 1 6 ARG HG2 2.572 . 3.399 2.382 2.273 2.495 . 0 0 "[ . 1]" 1
27 1 49 ARG QD 1 49 ARG QG 2.331 . 3.010 2.016 1.982 2.088 . 0 0 "[ . 1]" 1
28 1 43 ARG QB 1 43 ARG HD2 2.302 . 2.965 2.786 2.781 2.789 . 0 0 "[ . 1]" 1
29 1 3 GLN HB2 1 3 GLN QG 2.310 . 2.977 2.342 2.142 2.432 . 0 0 "[ . 1]" 1
30 1 22 ARG QD 1 26 PHE H 2.806 . 6.000 3.494 3.081 4.095 . 0 0 "[ . 1]" 1
31 1 22 ARG QD 1 26 PHE QE 2.987 . 4.102 2.369 1.996 2.804 . 0 0 "[ . 1]" 1
32 1 20 TRP HD1 1 22 ARG QD 2.981 . 4.092 3.358 2.916 3.626 . 0 0 "[ . 1]" 1
33 1 49 ARG H 1 49 ARG QG 2.801 . 3.782 2.611 2.041 3.083 . 0 0 "[ . 1]" 1
34 1 22 ARG H 1 22 ARG HB3 2.897 . 3.946 3.171 3.094 3.267 . 0 0 "[ . 1]" 1
35 1 36 ASN HD22 1 43 ARG QB 3.126 . 4.348 2.096 1.928 2.201 . 0 0 "[ . 1]" 1
36 1 26 PHE HA 1 26 PHE QE 2.825 . 3.823 3.929 3.875 3.978 0.155 10 0 "[ . 1]" 1
37 1 39 CYS H 1 40 GLY QA 3.053 . 6.000 3.425 3.323 3.553 . 0 0 "[ . 1]" 1
38 1 28 HIS H 1 28 HIS QB 2.985 . 4.099 3.092 2.531 3.321 . 0 0 "[ . 1]" 1
39 1 28 HIS QB 1 28 HIS HD2 2.723 . 3.650 2.927 2.864 3.007 . 0 0 "[ . 1]" 1
40 1 4 ARG HE 1 6 ARG QD 2.821 . 3.816 3.440 1.834 3.971 0.155 9 0 "[ . 1]" 1
41 1 33 TRP H 1 34 PHE HB2 3.065 . 4.240 3.897 3.737 3.973 . 0 0 "[ . 1]" 1
42 1 34 PHE QB 1 34 PHE QE 2.881 . 3.918 3.922 3.906 3.931 0.013 7 0 "[ . 1]" 1
43 1 21 CYS HB3 1 22 ARG H 2.946 . 4.031 3.354 3.261 3.423 . 0 0 "[ . 1]" 1
44 1 4 ARG QD 1 6 ARG QB 3.008 . 4.139 3.992 3.766 4.126 . 0 0 "[ . 1]" 1
45 1 4 ARG QD 1 4 ARG HG2 3.108 . 4.316 2.257 2.163 2.423 . 0 0 "[ . 1]" 1
46 1 22 ARG QD 1 22 ARG HG3 2.901 . 3.953 2.114 2.082 2.119 . 0 0 "[ . 1]" 1
47 1 3 GLN HB3 1 3 GLN QG 2.153 . 2.732 2.275 2.147 2.435 . 0 0 "[ . 1]" 1
48 1 12 HIS HD2 1 12 HIS HE1 2.952 . 4.041 3.570 2.085 3.739 . 0 0 "[ . 1]" 1
49 1 6 ARG HE 1 12 HIS HA 3.209 . 4.496 3.237 2.636 4.051 . 0 0 "[ . 1]" 1
50 1 27 SER QB 1 28 HIS H 3.302 . 4.665 3.609 2.680 3.870 . 0 0 "[ . 1]" 1
51 1 27 SER QB 1 28 HIS HD2 3.162 . 4.412 4.022 3.473 4.349 . 0 0 "[ . 1]" 1
52 1 2 TYR QB 1 3 GLN H 3.190 . 4.462 2.638 2.279 2.804 . 0 0 "[ . 1]" 1
53 1 22 ARG QD 1 26 PHE HZ 3.160 . 4.408 4.008 3.788 4.421 0.013 10 0 "[ . 1]" 1
54 1 22 ARG QD 1 26 PHE QD 3.258 . 4.585 2.984 2.561 3.530 . 0 0 "[ . 1]" 1
55 1 22 ARG H 1 22 ARG QG 3.363 . 4.777 2.852 2.668 3.030 . 0 0 "[ . 1]" 1
56 1 22 ARG HE 1 22 ARG QG 3.256 . 4.582 3.020 2.832 3.369 . 0 0 "[ . 1]" 1
57 1 22 ARG HB3 1 25 CYS H 3.327 . 4.711 4.675 4.476 4.753 0.042 3 0 "[ . 1]" 1
58 1 36 ASN HD21 1 43 ARG QB 3.383 . 4.814 2.890 2.565 3.420 . 0 0 "[ . 1]" 1
59 1 1 SER HA 1 1 SER QB 1.857 . 2.288 2.255 2.183 2.349 0.061 5 0 "[ . 1]" 1
60 1 23 PRO HA 1 23 PRO HG2 3.360 . 4.772 3.636 3.440 3.897 . 0 0 "[ . 1]" 1
61 1 4 ARG QD 1 4 ARG HG3 3.324 . 4.706 2.299 2.159 2.377 . 0 0 "[ . 1]" 1
62 1 1 SER QB 1 4 ARG HG3 3.222 . 6.000 5.413 4.678 5.942 . 0 0 "[ . 1]" 1
63 1 22 ARG HB3 1 24 THR HA 3.200 . 4.480 4.166 3.961 4.384 . 0 0 "[ . 1]" 1
64 1 22 ARG HB3 1 23 PRO HA 3.358 . 4.767 3.640 3.481 3.997 . 0 0 "[ . 1]" 1
65 1 33 TRP H 1 36 ASN HD22 3.550 . 6.000 5.309 5.127 5.433 . 0 0 "[ . 1]" 1
66 1 25 CYS HA 1 29 GLU H 3.628 . 5.273 4.767 4.623 4.868 . 0 0 "[ . 1]" 1
67 1 25 CYS HA 1 26 PHE QE 3.532 . 5.092 4.956 4.501 5.114 0.022 10 0 "[ . 1]" 1
68 1 28 HIS QB 1 48 GLY H 3.435 . 4.910 3.900 3.666 4.143 . 0 0 "[ . 1]" 1
69 1 3 GLN H 1 3 GLN QG 3.564 . 5.152 4.004 2.871 4.324 . 0 0 "[ . 1]" 1
70 1 19 GLY H 1 47 PRO HG2 3.528 . 5.084 4.300 4.176 4.455 . 0 0 "[ . 1]" 1
71 1 20 TRP HE1 1 22 ARG QG 3.591 . 5.203 3.396 3.307 3.467 . 0 0 "[ . 1]" 1
72 1 1 SER QB 1 4 ARG QB 3.557 . 5.138 4.392 3.610 4.658 . 0 0 "[ . 1]" 1
73 1 20 TRP HB2 1 22 ARG HG2 3.667 . 5.348 4.028 3.770 4.456 . 0 0 "[ . 1]" 1
74 1 22 ARG QG 1 45 CYS HB2 3.520 . 5.069 2.714 2.496 2.931 . 0 0 "[ . 1]" 1
75 1 22 ARG QG 1 45 CYS HB3 3.485 . 5.003 4.181 3.975 4.384 . 0 0 "[ . 1]" 1
76 1 48 GLY HA2 1 49 ARG QG 3.699 . 5.409 5.154 4.706 5.501 0.092 3 0 "[ . 1]" 1
77 1 22 ARG HB3 1 45 CYS HB3 3.705 . 5.421 4.890 4.669 5.004 . 0 0 "[ . 1]" 1
78 1 28 HIS HA 1 28 HIS QB 2.392 . 3.107 2.188 2.182 2.193 . 0 0 "[ . 1]" 1
79 1 32 ASP HA 1 34 PHE HB3 3.513 . 5.055 3.818 3.656 4.184 . 0 0 "[ . 1]" 1
80 1 42 TYR HA 1 43 ARG QD 3.559 . 5.143 5.272 5.195 5.361 0.218 9 0 "[ . 1]" 1
81 1 47 PRO HA 1 49 ARG QD 2.896 . 3.944 3.769 3.482 4.058 0.114 6 0 "[ . 1]" 1
82 1 2 TYR HA 1 2 TYR QB 2.489 . 3.263 2.360 2.313 2.423 . 0 0 "[ . 1]" 1
83 1 22 ARG HA 1 22 ARG QG 3.215 . 4.507 2.505 2.455 2.556 . 0 0 "[ . 1]" 1
84 1 36 ASN HB3 1 43 ARG HA 3.230 . 4.534 3.704 3.517 3.827 . 0 0 "[ . 1]" 1
85 1 43 ARG HA 1 43 ARG QD 3.043 . 6.000 4.523 4.464 4.555 . 0 0 "[ . 1]" 1
86 1 43 ARG HA 1 43 ARG QB 2.365 . 3.064 2.186 2.183 2.189 . 0 0 "[ . 1]" 1
87 1 41 SER HA 1 41 SER QB 2.305 . 2.969 2.373 2.347 2.401 . 0 0 "[ . 1]" 1
88 1 34 PHE HA 1 34 PHE QB 2.365 . 3.064 2.406 2.371 2.441 . 0 0 "[ . 1]" 1
89 1 6 ARG HA 1 6 ARG QD 3.543 . 5.112 2.829 2.286 3.426 . 0 0 "[ . 1]" 1
90 1 49 ARG HA 1 49 ARG QG 2.663 . 3.550 3.440 3.372 3.503 . 0 0 "[ . 1]" 1
91 1 3 GLN HA 1 3 GLN QG 2.832 . 3.834 2.568 2.307 2.853 . 0 0 "[ . 1]" 1
92 1 6 ARG QD 1 12 HIS HA 2.735 . 3.670 3.185 1.972 3.890 0.220 5 0 "[ . 1]" 1
93 1 16 ASN HA 1 18 ARG QD 2.567 . 6.000 4.324 3.976 5.391 . 0 0 "[ . 1]" 1
94 1 15 ALA MB 1 16 ASN HA 3.401 . 4.847 4.624 4.578 4.668 . 0 0 "[ . 1]" 1
95 1 25 CYS HA 1 46 ARG H 3.894 . 5.790 5.319 5.055 5.419 . 0 0 "[ . 1]" 1
96 1 16 ASN HA 1 18 ARG HE 4.166 . 6.335 5.474 4.360 5.853 . 0 0 "[ . 1]" 1
97 1 13 SER HB3 1 17 ASN HD21 4.640 . 7.332 6.599 6.386 6.891 . 0 0 "[ . 1]" 1
98 1 1 SER HB2 1 6 ARG HE 3.967 . 5.934 4.321 3.675 4.939 . 0 0 "[ . 1]" 1
99 1 9 HIS HD2 1 40 GLY QA 4.480 . 6.989 5.372 4.818 5.781 . 0 0 "[ . 1]" 1
100 1 1 SER QB 1 2 TYR H 3.813 . 5.630 3.829 3.669 4.004 . 0 0 "[ . 1]" 1
101 1 9 HIS HD2 1 41 SER QB 4.802 . 7.685 6.235 4.510 7.713 0.028 10 0 "[ . 1]" 1
102 1 15 ALA HA 1 18 ARG H 3.985 . 5.970 4.507 4.438 4.574 . 0 0 "[ . 1]" 1
103 1 14 CYS H 1 15 ALA HA 4.299 . 6.609 5.486 5.456 5.511 . 0 0 "[ . 1]" 1
104 1 27 SER QB 1 29 GLU H 3.878 . 5.758 4.917 4.371 5.280 . 0 0 "[ . 1]" 1
105 1 28 HIS QB 1 30 TYR QD 4.421 . 6.864 6.861 6.769 6.925 0.061 2 0 "[ . 1]" 1
106 1 4 ARG H 1 6 ARG QD 4.251 . 6.510 5.353 4.984 6.320 . 0 0 "[ . 1]" 1
107 1 49 ARG H 1 49 ARG QD 3.743 . 5.494 2.110 1.962 2.256 0.030 4 0 "[ . 1]" 1
108 1 33 TRP HD1 1 34 PHE QB 4.304 . 6.619 6.499 6.365 6.811 0.192 2 0 "[ . 1]" 1
109 1 33 TRP HE3 1 34 PHE QB 4.552 . 7.142 7.011 6.965 7.202 0.060 2 0 "[ . 1]" 1
110 1 25 CYS HB3 1 26 PHE QE 4.388 . 6.794 6.164 6.012 6.383 . 0 0 "[ . 1]" 1
111 1 2 TYR H 1 2 TYR QB 3.857 . 5.717 2.230 2.194 2.247 . 0 0 "[ . 1]" 1
112 1 2 TYR QB 1 4 ARG H 4.255 . 6.518 5.547 5.237 6.246 . 0 0 "[ . 1]" 1
113 1 2 TYR QB 1 2 TYR QE 4.221 . 6.448 3.936 3.930 3.946 . 0 0 "[ . 1]" 1
114 1 36 ASN HB3 1 40 GLY H 4.272 . 6.554 5.620 4.878 6.612 0.058 5 0 "[ . 1]" 1
115 1 20 TRP HE1 1 22 ARG QD 4.446 . 6.917 5.074 4.642 5.395 . 0 0 "[ . 1]" 1
116 1 10 ASP HB3 1 43 ARG H 3.773 . 6.000 5.628 5.296 5.974 . 0 0 "[ . 1]" 1
117 1 21 CYS H 1 22 ARG QD 4.426 . 6.874 6.051 5.774 6.238 . 0 0 "[ . 1]" 1
118 1 10 ASP HB3 1 40 GLY H 4.002 . 6.004 4.724 4.028 5.065 . 0 0 "[ . 1]" 1
119 1 3 GLN QG 1 4 ARG H 4.032 . 6.064 3.802 1.942 4.687 0.058 2 0 "[ . 1]" 1
120 1 18 ARG HB3 1 30 TYR QE 4.438 . 6.899 4.769 4.674 4.937 . 0 0 "[ . 1]" 1
121 1 18 ARG HB3 1 30 TYR QD 4.810 . 7.702 5.808 5.711 5.961 . 0 0 "[ . 1]" 1
122 1 22 ARG QG 1 45 CYS H 3.957 . 5.914 3.690 3.483 3.920 . 0 0 "[ . 1]" 1
123 1 21 CYS H 1 22 ARG QG 4.624 . 7.297 4.126 4.056 4.251 . 0 0 "[ . 1]" 1
124 1 22 ARG QG 1 26 PHE QE 4.227 . 6.460 4.003 3.663 4.534 . 0 0 "[ . 1]" 1
125 1 22 ARG QG 1 26 PHE QD 4.259 . 6.526 4.852 4.526 5.402 . 0 0 "[ . 1]" 1
126 1 22 ARG QG 1 42 TYR QE 4.633 . 7.316 5.403 4.871 5.917 . 0 0 "[ . 1]" 1
127 1 22 ARG QG 1 42 TYR QD 4.547 . 7.132 5.061 4.675 5.414 . 0 0 "[ . 1]" 1
128 1 22 ARG QG 1 24 THR H 3.984 . 5.968 4.484 4.343 5.059 . 0 0 "[ . 1]" 1
129 1 49 ARG HE 1 49 ARG QG 3.817 . 5.638 2.585 2.313 2.865 . 0 0 "[ . 1]" 1
130 1 26 PHE QE 1 29 GLU HB3 4.442 . 6.909 5.927 5.573 6.254 . 0 0 "[ . 1]" 1
131 1 20 TRP H 1 29 GLU HB3 4.551 . 7.140 5.237 5.078 5.378 . 0 0 "[ . 1]" 1
132 1 33 TRP HE1 1 43 ARG QB 4.461 . 6.949 5.894 5.729 6.062 . 0 0 "[ . 1]" 1
133 1 31 THR H 1 43 ARG HB2 4.230 . 6.467 5.624 5.452 5.714 . 0 0 "[ . 1]" 1
134 1 33 TRP HE3 1 43 ARG QB 4.036 . 6.073 5.191 5.105 5.285 . 0 0 "[ . 1]" 1
135 1 33 TRP H 1 43 ARG HB2 4.353 . 6.721 4.990 4.894 5.069 . 0 0 "[ . 1]" 1
136 1 33 TRP HH2 1 43 ARG QB 3.951 . 5.902 4.429 4.264 4.529 . 0 0 "[ . 1]" 1
137 1 33 TRP HZ3 1 43 ARG QB 3.807 . 5.618 4.573 4.449 4.629 . 0 0 "[ . 1]" 1
138 1 21 CYS HA 1 22 ARG QD 4.711 . 7.485 5.783 5.537 6.168 . 0 0 "[ . 1]" 1
139 1 21 CYS HA 1 22 ARG QG 4.574 . 7.189 4.003 3.859 4.127 . 0 0 "[ . 1]" 1
140 1 20 TRP H 1 20 TRP HE3 4.780 . 7.637 4.795 4.743 4.869 . 0 0 "[ . 1]" 1
141 1 25 CYS H 1 26 PHE QE 4.077 . 6.155 5.897 5.649 6.098 . 0 0 "[ . 1]" 1
142 1 9 HIS HE1 1 42 TYR QE 4.840 . 7.768 7.574 6.595 7.904 0.136 3 0 "[ . 1]" 1
143 1 20 TRP H 1 21 CYS HA 3.961 . 5.922 4.649 4.514 4.750 . 0 0 "[ . 1]" 1
144 1 28 HIS QB 1 29 GLU HA 4.211 . 6.427 4.714 4.682 4.729 . 0 0 "[ . 1]" 1
145 1 19 GLY H 1 35 ASN HD22 3.900 . 5.801 5.520 5.221 5.751 . 0 0 "[ . 1]" 1
146 1 21 CYS HA 1 39 CYS H 4.005 . 6.010 5.227 5.056 5.476 . 0 0 "[ . 1]" 1
147 1 20 TRP H 1 46 ARG HB3 3.937 . 5.875 4.871 4.606 5.016 . 0 0 "[ . 1]" 1
148 1 22 ARG QG 1 26 PHE H 4.438 . 6.900 5.502 5.220 5.824 . 0 0 "[ . 1]" 1
149 1 28 HIS HE1 1 49 ARG QD 4.214 . 6.434 5.399 4.588 6.439 0.005 3 0 "[ . 1]" 1
150 1 28 HIS QB 1 49 ARG H 3.945 . 5.890 5.616 5.049 6.005 0.115 7 0 "[ . 1]" 1
151 1 41 SER QB 1 42 TYR H 3.191 . 4.464 3.157 2.903 3.368 . 0 0 "[ . 1]" 1
152 1 43 ARG HG2 1 45 CYS HA 4.663 . 7.381 4.124 4.066 4.241 . 0 0 "[ . 1]" 1
153 1 35 ASN HA 1 36 ASN HB3 4.404 . 6.828 4.162 4.105 4.238 . 0 0 "[ . 1]" 1
154 1 25 CYS HB2 1 45 CYS HA 4.619 . 7.286 4.579 4.395 4.762 . 0 0 "[ . 1]" 1
155 1 11 SER HA 1 39 CYS HA 4.055 . 6.110 4.419 4.348 4.516 . 0 0 "[ . 1]" 1
156 1 13 SER HA 1 14 CYS HA 3.109 . 4.317 4.133 4.053 4.185 . 0 0 "[ . 1]" 1
157 1 24 THR HA 1 25 CYS HA 3.480 . 4.993 3.898 3.882 3.929 . 0 0 "[ . 1]" 1
158 1 41 SER QB 1 42 TYR HA 4.252 . 6.512 4.463 4.351 4.573 . 0 0 "[ . 1]" 1
159 1 21 CYS HB2 1 22 ARG HA 4.266 . 6.541 4.440 4.349 4.534 . 0 0 "[ . 1]" 1
160 1 18 ARG HB3 1 46 ARG HA 4.101 . 6.203 4.521 4.398 4.844 . 0 0 "[ . 1]" 1
161 1 5 ILE MG 1 6 ARG HA 4.161 . 6.325 3.797 3.361 4.231 . 0 0 "[ . 1]" 1
162 1 12 HIS HA 1 38 VAL MG2 4.186 . 6.376 5.643 5.564 5.767 . 0 0 "[ . 1]" 1
163 1 36 ASN HA 1 43 ARG QB 3.976 . 5.952 4.198 4.094 4.372 . 0 0 "[ . 1]" 1
164 1 4 ARG HG3 1 5 ILE HA 4.142 . 6.286 4.533 3.489 5.142 . 0 0 "[ . 1]" 1
165 1 48 GLY HA3 1 49 ARG QG 5.367 . 8.967 4.663 3.797 5.555 . 0 0 "[ . 1]" 1
166 1 17 ASN HA 1 18 ARG HB3 3.879 . 5.759 4.839 4.774 4.942 . 0 0 "[ . 1]" 1
167 1 15 ALA HA 1 46 ARG QD 4.170 . 6.344 4.676 3.589 4.892 . 0 0 "[ . 1]" 1
168 1 31 THR HB 1 43 ARG QD 3.811 . 5.627 4.886 4.605 5.163 . 0 0 "[ . 1]" 1
169 1 33 TRP HA 1 34 PHE QB 3.816 . 5.636 5.089 5.055 5.230 . 0 0 "[ . 1]" 1
170 1 48 GLY HA3 1 49 ARG QD 3.785 . 5.576 4.194 3.146 5.012 . 0 0 "[ . 1]" 1
171 1 27 SER QB 1 28 HIS QB 3.577 . 5.176 4.075 3.760 4.220 . 0 0 "[ . 1]" 1
172 1 40 GLY QA 1 41 SER QB 3.286 . 4.635 3.786 3.752 3.817 . 0 0 "[ . 1]" 1
173 1 22 ARG QG 1 23 PRO HD2 3.593 . 5.206 3.573 3.435 3.820 . 0 0 "[ . 1]" 1
174 1 6 ARG QD 1 6 ARG HG3 2.545 . 3.355 2.285 2.145 2.419 . 0 0 "[ . 1]" 1
175 1 42 TYR HB3 1 43 ARG HG2 2.920 . 3.986 3.700 3.569 3.767 . 0 0 "[ . 1]" 1
176 1 36 ASN HB3 1 38 VAL MG1 4.388 . 6.795 5.202 5.063 5.296 . 0 0 "[ . 1]" 1
177 1 39 CYS HB3 1 43 ARG QB 3.950 . 5.900 4.976 4.876 5.139 . 0 0 "[ . 1]" 1
178 1 49 ARG HB3 1 49 ARG QG 1.862 . 2.295 2.289 2.164 2.428 0.133 10 0 "[ . 1]" 1
179 1 39 CYS H 1 44 CYS H 4.120 . 6.241 5.224 5.133 5.318 . 0 0 "[ . 1]" 1
180 1 32 ASP HB3 1 33 TRP H 3.408 . 4.860 3.543 3.339 3.684 . 0 0 "[ . 1]" 1
181 1 22 ARG QG 1 26 PHE HZ 3.983 . 5.966 5.326 4.956 5.611 . 0 0 "[ . 1]" 1
182 1 3 GLN HB3 1 12 HIS HA 3.174 . 4.433 4.463 4.104 4.982 0.549 4 1 "[ +. 1]" 1
183 1 37 ASP HA 1 37 ASP QB 2.264 . 2.905 2.336 2.270 2.373 . 0 0 "[ . 1]" 1
184 1 20 TRP HB2 1 22 ARG QD 3.344 . 4.742 4.946 4.781 5.074 0.332 6 0 "[ . 1]" 1
185 1 20 TRP HB3 1 22 ARG HD3 3.229 . 4.532 2.429 2.183 3.291 . 0 0 "[ . 1]" 1
186 1 20 TRP HB3 1 22 ARG HD2 3.212 . 4.502 3.018 2.691 3.483 . 0 0 "[ . 1]" 1
187 1 10 ASP HB2 1 23 PRO HB3 4.270 . 6.549 5.006 4.891 5.266 . 0 0 "[ . 1]" 1
188 1 21 CYS HA 1 22 ARG H 2.211 . 2.822 2.158 2.101 2.231 . 0 0 "[ . 1]" 1
189 1 29 GLU HA 1 30 TYR H 2.316 . 2.987 2.515 2.439 2.586 . 0 0 "[ . 1]" 1
190 1 29 GLU HA 1 48 GLY H 2.446 . 3.194 2.251 2.072 2.340 . 0 0 "[ . 1]" 1
191 1 35 ASN HA 1 36 ASN H 2.602 . 3.448 3.360 3.287 3.408 . 0 0 "[ . 1]" 1
192 1 45 CYS HA 1 46 ARG H 2.154 . 2.734 2.215 2.112 2.281 . 0 0 "[ . 1]" 1
193 1 30 TYR HA 1 31 THR H 2.198 . 2.802 2.378 2.309 2.443 . 0 0 "[ . 1]" 1
194 1 26 PHE HA 1 27 SER H 2.098 . 2.648 2.523 2.465 2.576 . 0 0 "[ . 1]" 1
195 1 26 PHE HA 1 26 PHE QD 2.165 . 2.751 2.493 2.326 2.706 . 0 0 "[ . 1]" 1
196 1 14 CYS HA 1 15 ALA H 2.272 . 2.917 2.517 2.464 2.623 . 0 0 "[ . 1]" 1
197 1 14 CYS H 1 14 CYS HA 2.574 . 3.402 2.922 2.917 2.928 . 0 0 "[ . 1]" 1
198 1 19 GLY QA 1 20 TRP H 2.299 . 2.960 2.193 2.175 2.204 . 0 0 "[ . 1]" 1
199 1 19 GLY H 1 19 GLY QA 2.560 . 3.379 2.470 2.432 2.489 . 0 0 "[ . 1]" 1
200 1 32 ASP HA 1 33 TRP H 2.091 . 2.637 2.156 2.135 2.176 . 0 0 "[ . 1]" 1
201 1 30 TYR QE 1 32 ASP HA 2.553 . 3.368 3.397 3.277 3.618 0.250 9 0 "[ . 1]" 1
202 1 12 HIS HE1 1 39 CYS HA 2.377 . 3.083 3.154 3.106 3.204 0.121 8 0 "[ . 1]" 1
203 1 42 TYR HA 1 43 ARG H 2.458 . 3.213 2.513 2.426 2.683 . 0 0 "[ . 1]" 1
204 1 42 TYR HA 1 42 TYR QE 2.343 . 6.000 4.207 4.130 4.293 . 0 0 "[ . 1]" 1
205 1 42 TYR HA 1 42 TYR QD 2.063 . 2.595 1.987 1.804 2.287 . 0 0 "[ . 1]" 1
206 1 8 ASP HA 1 9 HIS H 2.204 . 2.811 2.639 2.529 2.815 0.004 5 0 "[ . 1]" 1
207 1 25 CYS HA 1 26 PHE H 2.216 . 2.830 2.198 2.137 2.252 . 0 0 "[ . 1]" 1
208 1 47 PRO HA 1 48 GLY H 1.997 . 2.496 2.186 2.156 2.197 . 0 0 "[ . 1]" 1
209 1 44 CYS HA 1 45 CYS H 2.171 . 2.760 2.168 2.129 2.204 . 0 0 "[ . 1]" 1
210 1 2 TYR HA 1 3 GLN H 2.332 . 6.000 3.514 3.483 3.544 . 0 0 "[ . 1]" 1
211 1 20 TRP HA 1 21 CYS H 2.213 . 2.825 2.135 2.109 2.157 . 0 0 "[ . 1]" 1
212 1 43 ARG HA 1 44 CYS H 2.102 . 2.654 2.311 2.293 2.335 . 0 0 "[ . 1]" 1
213 1 11 SER HA 1 12 HIS H 2.356 . 3.050 2.166 2.126 2.234 . 0 0 "[ . 1]" 1
214 1 7 SER HA 1 8 ASP H 2.131 . 6.000 3.532 3.478 3.561 . 0 0 "[ . 1]" 1
215 1 7 SER H 1 7 SER HA 2.584 . 3.419 2.890 2.807 2.947 . 0 0 "[ . 1]" 1
216 1 34 PHE H 1 34 PHE HA 2.422 . 3.155 2.844 2.824 2.875 . 0 0 "[ . 1]" 1
217 1 10 ASP H 1 10 ASP HA 2.592 . 3.432 2.922 2.892 2.948 . 0 0 "[ . 1]" 1
218 1 10 ASP HA 1 12 HIS HD2 2.048 . 6.000 2.752 2.060 3.102 . 0 0 "[ . 1]" 1
219 1 6 ARG HA 1 7 SER H 2.105 . 6.000 3.555 3.484 3.570 . 0 0 "[ . 1]" 1
220 1 11 SER H 1 11 SER HB3 2.387 . 3.099 2.742 2.497 3.340 0.241 10 0 "[ . 1]" 1
221 1 37 ASP H 1 37 ASP HA 2.225 . 2.844 2.807 2.783 2.823 . 0 0 "[ . 1]" 1
222 1 49 ARG H 1 49 ARG HA 2.418 . 3.149 2.900 2.856 2.943 . 0 0 "[ . 1]" 1
223 1 38 VAL H 1 38 VAL HA 2.326 . 3.002 2.861 2.849 2.869 . 0 0 "[ . 1]" 1
224 1 36 ASN H 1 36 ASN HA 2.470 . 3.233 2.811 2.785 2.861 . 0 0 "[ . 1]" 1
225 1 3 GLN HA 1 4 ARG H 2.129 . 2.695 2.346 2.181 2.588 . 0 0 "[ . 1]" 1
226 1 4 ARG HA 1 5 ILE H 2.157 . 2.739 2.386 2.217 2.672 . 0 0 "[ . 1]" 1
227 1 48 GLY H 1 48 GLY HA2 2.479 . 3.247 2.822 2.786 2.859 . 0 0 "[ . 1]" 1
228 1 48 GLY HA2 1 49 ARG H 2.349 . 6.000 3.117 2.781 3.380 . 0 0 "[ . 1]" 1
229 1 16 ASN H 1 16 ASN HA 1.989 . 2.484 2.258 2.250 2.264 . 0 0 "[ . 1]" 1
230 1 13 SER HA 1 14 CYS H 2.090 . 2.636 2.245 2.181 2.291 . 0 0 "[ . 1]" 1
231 1 12 HIS HA 1 20 TRP HZ2 2.439 . 3.183 3.238 3.187 3.266 0.083 4 0 "[ . 1]" 1
232 1 13 SER HA 1 20 TRP HE3 2.490 . 3.265 2.457 2.379 2.553 . 0 0 "[ . 1]" 1
233 1 31 THR HA 1 32 ASP H 2.084 . 2.627 2.164 2.129 2.211 . 0 0 "[ . 1]" 1
234 1 27 SER H 1 27 SER HA 2.394 . 3.111 2.860 2.818 2.882 . 0 0 "[ . 1]" 1
235 1 5 ILE HA 1 6 ARG H 2.042 . 2.563 2.184 2.152 2.203 . 0 0 "[ . 1]" 1
236 1 5 ILE H 1 5 ILE HA 2.569 . 3.394 2.930 2.910 2.951 . 0 0 "[ . 1]" 1
237 1 33 TRP HA 1 33 TRP HE3 2.432 . 3.171 2.759 2.710 2.856 . 0 0 "[ . 1]" 1
238 1 33 TRP H 1 33 TRP HA 2.334 . 3.015 2.885 2.862 2.905 . 0 0 "[ . 1]" 1
239 1 13 SER HB2 1 14 CYS H 2.390 . 3.104 2.785 2.617 3.036 . 0 0 "[ . 1]" 1
240 1 48 GLY HA3 1 49 ARG H 2.413 . 6.000 3.322 3.108 3.492 . 0 0 "[ . 1]" 1
241 1 24 THR H 1 24 THR HA 2.479 . 3.247 2.883 2.858 2.933 . 0 0 "[ . 1]" 1
242 1 13 SER H 1 13 SER HB3 2.390 . 3.104 2.847 2.735 2.945 . 0 0 "[ . 1]" 1
243 1 40 GLY H 1 40 GLY QA 2.310 . 2.677 2.233 2.197 2.268 . 0 0 "[ . 1]" 1
244 1 11 SER H 1 11 SER HB2 2.500 . 3.281 2.603 2.404 3.152 . 0 0 "[ . 1]" 1
245 1 11 SER HB2 1 42 TYR QE 2.432 . 3.172 2.162 1.833 3.706 0.534 10 1 "[ . +]" 1
246 1 40 GLY QA 1 41 SER H 2.162 . 2.746 2.188 2.113 2.380 . 0 0 "[ . 1]" 1
247 1 15 ALA H 1 15 ALA HA 2.062 . 2.594 2.270 2.263 2.276 . 0 0 "[ . 1]" 1
248 1 15 ALA HA 1 16 ASN H 2.333 . 3.014 3.000 2.922 3.051 0.037 9 0 "[ . 1]" 1
249 1 23 PRO HA 1 42 TYR QD 2.560 . 3.379 2.633 2.154 3.122 . 0 0 "[ . 1]" 1
250 1 31 THR H 1 31 THR HB 2.341 . 3.026 2.573 2.539 2.602 . 0 0 "[ . 1]" 1
251 1 26 PHE HB3 1 27 SER H 2.196 . 2.799 2.200 2.133 2.293 . 0 0 "[ . 1]" 1
252 1 12 HIS HB3 1 13 SER H 2.453 . 6.000 3.586 3.444 3.669 . 0 0 "[ . 1]" 1
253 1 12 HIS HB3 1 12 HIS HD2 2.376 . 3.082 2.799 2.771 2.820 . 0 0 "[ . 1]" 1
254 1 33 TRP HB3 1 33 TRP HE3 2.498 . 3.278 2.633 2.582 2.672 . 0 0 "[ . 1]" 1
255 1 33 TRP H 1 33 TRP HB3 2.607 . 3.456 3.551 3.534 3.566 0.110 6 0 "[ . 1]" 1
256 1 33 TRP HB3 1 33 TRP HD1 2.517 . 6.000 3.771 3.760 3.785 . 0 0 "[ . 1]" 1
257 1 9 HIS H 1 9 HIS HB3 2.403 . 3.125 3.047 2.516 3.539 0.414 5 0 "[ . 1]" 1
258 1 42 TYR H 1 42 TYR HB2 2.434 . 3.175 2.376 2.270 2.549 . 0 0 "[ . 1]" 1
259 1 42 TYR HB2 1 42 TYR QD 2.576 . 3.405 2.421 2.262 2.567 . 0 0 "[ . 1]" 1
260 1 18 ARG QD 1 18 ARG HE 2.542 . 3.350 2.349 2.235 2.458 . 0 0 "[ . 1]" 1
261 1 35 ASN HB3 1 35 ASN HD21 2.527 . 3.325 3.117 2.218 3.438 0.113 1 0 "[ . 1]" 1
262 1 25 CYS HB3 1 26 PHE H 2.494 . 3.272 3.016 2.812 3.272 0.000 7 0 "[ . 1]" 1
263 1 9 HIS H 1 9 HIS HB2 2.538 . 3.343 2.560 2.297 3.588 0.245 9 0 "[ . 1]" 1
264 1 30 TYR HB2 1 31 THR H 2.434 . 3.175 2.596 2.466 2.824 . 0 0 "[ . 1]" 1
265 1 30 TYR HB2 1 30 TYR QD 2.200 . 2.805 2.398 2.376 2.414 . 0 0 "[ . 1]" 1
266 1 21 CYS H 1 21 CYS HB2 2.535 . 3.338 2.559 2.511 2.598 . 0 0 "[ . 1]" 1
267 1 12 HIS H 1 21 CYS HB2 2.625 . 3.486 1.756 1.720 1.811 0.044 9 0 "[ . 1]" 1
268 1 12 HIS HB2 1 13 SER H 2.194 . 2.796 2.181 2.043 2.282 . 0 0 "[ . 1]" 1
269 1 42 TYR HB3 1 43 ARG H 2.272 . 2.917 2.051 1.773 2.194 . 0 0 "[ . 1]" 1
270 1 42 TYR HB3 1 42 TYR QD 2.521 . 3.315 2.655 2.608 2.737 . 0 0 "[ . 1]" 1
271 1 44 CYS H 1 44 CYS HB2 2.440 . 6.000 2.748 2.709 2.808 . 0 0 "[ . 1]" 1
272 1 36 ASN HB2 1 36 ASN HD21 2.568 . 3.392 2.532 2.107 3.296 . 0 0 "[ . 1]" 1
273 1 33 TRP HB2 1 33 TRP HD1 2.275 . 2.922 2.638 2.624 2.650 . 0 0 "[ . 1]" 1
274 1 8 ASP QB 1 9 HIS H 2.515 . 3.306 2.316 1.798 2.958 . 0 0 "[ . 1]" 1
275 1 30 TYR HB3 1 30 TYR QD 2.191 . 2.791 2.408 2.395 2.432 . 0 0 "[ . 1]" 1
276 1 39 CYS H 1 39 CYS HB2 2.507 . 3.292 2.353 2.277 2.447 . 0 0 "[ . 1]" 1
277 1 44 CYS H 1 44 CYS HB3 2.421 . 3.154 2.481 2.397 2.536 . 0 0 "[ . 1]" 1
278 1 45 CYS H 1 45 CYS HB2 2.481 . 3.250 2.435 2.397 2.460 . 0 0 "[ . 1]" 1
279 1 21 CYS HB3 1 42 TYR QD 2.624 . 3.485 2.625 2.529 2.680 . 0 0 "[ . 1]" 1
280 1 37 ASP H 1 37 ASP HB2 2.258 . 2.895 2.582 2.503 2.774 . 0 0 "[ . 1]" 1
281 1 20 TRP HB3 1 20 TRP HD1 2.406 . 3.130 2.626 2.586 2.659 . 0 0 "[ . 1]" 1
282 1 14 CYS HB2 1 15 ALA H 2.419 . 3.151 2.233 2.118 2.312 . 0 0 "[ . 1]" 1
283 1 8 ASP H 1 8 ASP QB 2.517 . 3.309 2.663 2.326 3.148 . 0 0 "[ . 1]" 1
284 1 26 PHE HB2 1 26 PHE QD 2.599 . 3.443 2.323 2.255 2.756 . 0 0 "[ . 1]" 1
285 1 26 PHE H 1 26 PHE HB2 2.381 . 3.089 2.410 2.304 2.483 . 0 0 "[ . 1]" 1
286 1 32 ASP H 1 32 ASP HB3 2.550 . 3.363 2.607 2.520 2.790 . 0 0 "[ . 1]" 1
287 1 25 CYS H 1 25 CYS HB2 2.212 . 2.824 2.473 2.411 2.558 . 0 0 "[ . 1]" 1
288 1 12 HIS HE1 1 38 VAL HB 2.378 . 3.085 3.125 3.113 3.141 0.056 5 0 "[ . 1]" 1
289 1 38 VAL H 1 38 VAL HB 2.606 . 6.000 3.681 3.660 3.708 . 0 0 "[ . 1]" 1
290 1 35 ASN HB2 1 35 ASN HD21 2.345 . 3.032 2.577 2.189 3.484 0.452 6 0 "[ . 1]" 1
291 1 35 ASN H 1 35 ASN HB2 2.553 . 3.368 2.516 2.306 3.121 . 0 0 "[ . 1]" 1
292 1 35 ASN HB2 1 35 ASN HD22 2.607 . 3.456 3.638 3.460 4.049 0.593 6 3 "[ -*+ 1]" 1
293 1 26 PHE H 1 29 GLU HB2 2.591 . 3.430 2.679 2.567 2.761 . 0 0 "[ . 1]" 1
294 1 29 GLU H 1 29 GLU HB2 2.640 . 3.511 2.789 2.709 2.887 . 0 0 "[ . 1]" 1
295 1 32 ASP H 1 32 ASP HB2 2.623 . 3.483 2.618 2.486 2.755 . 0 0 "[ . 1]" 1
296 1 23 PRO HG2 1 24 THR H 2.621 . 3.480 2.951 2.675 3.407 . 0 0 "[ . 1]" 1
297 1 18 ARG H 1 18 ARG HB2 2.462 . 3.220 2.397 2.334 2.587 . 0 0 "[ . 1]" 1
298 1 5 ILE H 1 5 ILE HB 2.505 . 3.289 2.497 2.398 2.608 . 0 0 "[ . 1]" 1
299 1 6 ARG H 1 6 ARG QB 2.565 . 3.387 2.496 2.106 3.197 . 0 0 "[ . 1]" 1
300 1 46 ARG HB3 1 46 ARG HE 2.541 . 3.348 2.338 2.148 2.508 . 0 0 "[ . 1]" 1
301 1 49 ARG H 1 49 ARG HB2 2.534 . 6.000 3.800 3.614 3.994 . 0 0 "[ . 1]" 1
302 1 29 GLU HB3 1 30 TYR H 2.507 . 3.293 2.168 2.043 2.382 . 0 0 "[ . 1]" 1
303 1 43 ARG HB2 1 44 CYS H 2.452 . 3.204 2.941 2.901 2.993 . 0 0 "[ . 1]" 1
304 1 43 ARG H 1 43 ARG HG2 2.324 . 2.999 2.036 1.949 2.207 . 0 0 "[ . 1]" 1
305 1 10 ASP H 1 10 ASP HB2 2.432 . 3.171 2.510 2.406 2.836 . 0 0 "[ . 1]" 1
306 1 43 ARG HE 1 43 ARG HG2 2.624 . 3.485 2.451 2.342 2.516 . 0 0 "[ . 1]" 1
307 1 15 ALA H 1 15 ALA MB 2.520 . 3.314 2.823 2.778 2.873 . 0 0 "[ . 1]" 1
308 1 15 ALA MB 1 35 ASN HD21 2.605 . 3.453 2.833 2.684 3.518 0.065 6 0 "[ . 1]" 1
309 1 15 ALA MB 1 19 GLY H 2.613 . 3.466 3.288 3.084 3.500 0.034 3 0 "[ . 1]" 1
310 1 20 TRP HD1 1 22 ARG HB2 2.524 . 6.000 4.063 3.972 4.189 . 0 0 "[ . 1]" 1
311 1 24 THR MG 1 25 CYS H 2.528 . 6.000 3.789 2.893 4.036 . 0 0 "[ . 1]" 1
312 1 12 HIS HE1 1 38 VAL MG2 2.178 . 2.771 1.878 1.792 1.942 . 0 0 "[ . 1]" 1
313 1 38 VAL H 1 38 VAL MG2 2.246 . 2.877 2.476 2.411 2.533 . 0 0 "[ . 1]" 1
314 1 38 VAL H 1 38 VAL MG1 2.304 . 2.967 1.990 1.917 2.060 . 0 0 "[ . 1]" 1
315 1 9 HIS H 1 10 ASP H 2.578 . 3.409 2.712 2.483 2.874 . 0 0 "[ . 1]" 1
316 1 41 SER H 1 42 TYR H 2.335 . 3.017 2.178 1.615 2.390 0.038 8 0 "[ . 1]" 1
317 1 36 ASN H 1 37 ASP H 2.339 . 3.023 2.565 2.390 2.666 . 0 0 "[ . 1]" 1
318 1 37 ASP H 1 38 VAL H 2.406 . 3.130 2.709 2.652 2.829 . 0 0 "[ . 1]" 1
319 1 30 TYR H 1 30 TYR QD 2.476 . 3.242 3.028 2.805 3.123 . 0 0 "[ . 1]" 1
320 1 16 ASN H 1 17 ASN H 2.536 . 3.340 2.894 2.785 3.006 . 0 0 "[ . 1]" 1
321 1 15 ALA H 1 16 ASN H 2.615 . 3.470 2.808 2.731 2.873 . 0 0 "[ . 1]" 1
322 1 22 ARG H 1 43 ARG H 2.561 . 3.381 3.064 2.868 3.216 . 0 0 "[ . 1]" 1
323 1 17 ASN H 1 18 ARG H 2.526 . 3.324 3.001 2.874 3.084 . 0 0 "[ . 1]" 1
324 1 18 ARG H 1 19 GLY H 2.233 . 2.856 2.893 2.684 3.004 0.148 3 0 "[ . 1]" 1
325 1 34 PHE H 1 35 ASN H 2.279 . 2.928 2.697 2.585 2.797 . 0 0 "[ . 1]" 1
326 1 33 TRP H 1 34 PHE H 2.427 . 3.163 2.317 2.245 2.439 . 0 0 "[ . 1]" 1
327 1 10 ASP H 1 11 SER H 2.452 . 3.203 2.236 1.846 2.355 . 0 0 "[ . 1]" 1
328 1 38 VAL H 1 39 CYS H 2.365 . 3.064 2.520 2.456 2.568 . 0 0 "[ . 1]" 1
329 1 35 ASN H 1 36 ASN H 2.383 . 3.093 2.500 2.445 2.555 . 0 0 "[ . 1]" 1
330 1 33 TRP HE3 1 36 ASN HD21 2.575 . 3.404 2.981 2.715 3.171 . 0 0 "[ . 1]" 1
331 1 12 HIS HA 1 12 HIS HB3 2.245 . 2.875 2.423 2.372 2.446 . 0 0 "[ . 1]" 1
332 1 33 TRP HA 1 33 TRP HB3 2.737 . 3.673 2.557 2.548 2.566 . 0 0 "[ . 1]" 1
333 1 9 HIS HA 1 9 HIS HB3 2.495 . 3.273 2.719 2.363 3.027 . 0 0 "[ . 1]" 1
334 1 36 ASN HA 1 36 ASN HB3 2.260 . 2.898 2.916 2.762 3.015 0.117 2 0 "[ . 1]" 1
335 1 24 THR HA 1 43 ARG HD2 2.560 . 3.379 2.866 2.440 3.364 . 0 0 "[ . 1]" 1
336 1 33 TRP HA 1 33 TRP HB2 2.345 . 3.033 3.004 2.999 3.008 . 0 0 "[ . 1]" 1
337 1 37 ASP HA 1 37 ASP HB2 2.127 . 2.692 2.434 2.350 2.482 . 0 0 "[ . 1]" 1
338 1 16 ASN HA 1 16 ASN HB2 2.297 . 2.957 3.008 2.994 3.022 0.065 9 0 "[ . 1]" 1
339 1 38 VAL HA 1 38 VAL HB 2.143 . 2.717 2.346 2.337 2.361 . 0 0 "[ . 1]" 1
340 1 23 PRO HA 1 23 PRO HB3 2.283 . 2.934 2.294 2.278 2.313 . 0 0 "[ . 1]" 1
341 1 3 GLN HB3 1 4 ARG HA 2.181 . 6.000 5.807 4.973 5.978 . 0 0 "[ . 1]" 1
342 1 6 ARG HA 1 6 ARG QB 2.475 . 3.241 2.353 2.122 2.524 . 0 0 "[ . 1]" 1
343 1 3 GLN HA 1 3 GLN HB2 2.106 . 2.660 2.648 2.497 3.025 0.365 4 0 "[ . 1]" 1
344 1 15 ALA HA 1 15 ALA MB 2.431 . 3.170 2.124 2.119 2.128 . 0 0 "[ . 1]" 1
345 1 24 THR HA 1 24 THR MG 2.414 . 3.142 3.019 2.233 3.215 0.073 5 0 "[ . 1]" 1
346 1 24 THR HB 1 24 THR MG 2.446 . 3.194 2.129 2.127 2.132 . 0 0 "[ . 1]" 1
347 1 40 GLY QA 1 41 SER HA 2.448 . 6.000 3.931 3.892 4.074 . 0 0 "[ . 1]" 1
348 1 24 THR HA 1 24 THR HB 2.289 . 2.944 2.502 2.387 3.013 0.069 8 0 "[ . 1]" 1
349 1 22 ARG HB2 1 22 ARG QD 2.577 . 3.407 2.404 2.257 2.636 . 0 0 "[ . 1]" 1
350 1 37 ASP HB3 1 38 VAL MG2 3.298 . 4.657 4.660 4.577 4.686 0.029 10 0 "[ . 1]" 1
351 1 38 VAL HB 1 38 VAL MG1 2.327 . 3.004 2.118 2.115 2.121 . 0 0 "[ . 1]" 1
352 1 18 ARG QD 1 18 ARG HG2 2.625 . 3.486 2.356 2.195 2.418 . 0 0 "[ . 1]" 1
353 1 22 ARG HB3 1 23 PRO HD2 2.542 . 3.349 2.174 2.078 2.262 . 0 0 "[ . 1]" 1
354 1 18 ARG HB2 1 18 ARG HG2 2.618 . 3.475 2.768 2.634 2.978 . 0 0 "[ . 1]" 1
355 1 31 THR MG 1 33 TRP HE1 2.745 . 3.687 3.053 2.954 3.164 . 0 0 "[ . 1]" 1
356 1 31 THR MG 1 32 ASP H 2.541 . 3.348 3.180 3.062 3.349 0.001 7 0 "[ . 1]" 1
357 1 31 THR MG 1 44 CYS H 2.752 . 3.699 3.338 3.021 3.550 . 0 0 "[ . 1]" 1
358 1 31 THR H 1 31 THR MG 2.931 . 4.005 3.792 3.781 3.813 . 0 0 "[ . 1]" 1
359 1 31 THR MG 1 36 ASN HD21 2.885 . 3.926 3.020 2.304 4.049 0.123 4 0 "[ . 1]" 1
360 1 31 THR MG 1 33 TRP HZ2 2.817 . 3.809 2.951 2.825 3.122 . 0 0 "[ . 1]" 1
361 1 31 THR MG 1 33 TRP H 2.660 . 6.000 4.015 3.818 4.139 . 0 0 "[ . 1]" 1
362 1 31 THR MG 1 33 TRP HD1 2.723 . 3.650 3.684 3.649 3.706 0.056 6 0 "[ . 1]" 1
363 1 31 THR MG 1 36 ASN HD22 2.696 . 3.605 2.961 2.761 3.235 . 0 0 "[ . 1]" 1
364 1 31 THR HA 1 31 THR MG 2.307 . 2.972 2.321 2.292 2.344 . 0 0 "[ . 1]" 1
365 1 31 THR MG 1 33 TRP HA 2.882 . 3.920 3.419 3.277 3.543 . 0 0 "[ . 1]" 1
366 1 31 THR HB 1 31 THR MG 2.237 . 2.863 2.133 2.129 2.135 . 0 0 "[ . 1]" 1
367 1 31 THR MG 1 43 ARG HD3 2.596 . 3.438 2.891 2.689 3.180 . 0 0 "[ . 1]" 1
368 1 31 THR MG 1 43 ARG HG3 3.011 . 4.144 2.825 2.623 2.980 . 0 0 "[ . 1]" 1
369 1 31 THR MG 1 43 ARG HB2 2.356 . 3.050 1.912 1.768 2.027 . 0 0 "[ . 1]" 1
370 1 30 TYR QE 1 32 ASP HB3 3.113 . 4.325 4.430 4.362 4.484 0.159 8 0 "[ . 1]" 1
371 1 23 PRO HD3 1 24 THR H 2.962 . 4.059 3.703 3.646 3.786 . 0 0 "[ . 1]" 1
372 1 23 PRO HD3 1 42 TYR QE 2.634 . 3.501 2.832 2.513 3.129 . 0 0 "[ . 1]" 1
373 1 10 ASP H 1 10 ASP HB3 2.700 . 3.611 3.582 3.294 3.681 0.070 2 0 "[ . 1]" 1
374 1 38 VAL HB 1 39 CYS H 2.902 . 3.955 4.021 3.919 4.107 0.152 1 0 "[ . 1]" 1
375 1 29 GLU HB2 1 30 TYR H 2.932 . 4.006 3.281 3.123 3.420 . 0 0 "[ . 1]" 1
376 1 18 ARG H 1 18 ARG HB3 2.745 . 3.687 3.567 3.544 3.580 . 0 0 "[ . 1]" 1
377 1 18 ARG HB3 1 46 ARG HE 3.254 . 4.578 2.561 2.154 4.144 . 0 0 "[ . 1]" 1
378 1 47 PRO HB2 1 48 GLY H 3.022 . 4.164 3.877 3.605 3.981 . 0 0 "[ . 1]" 1
379 1 23 PRO HB3 1 42 TYR QE 2.753 . 3.700 2.198 1.909 2.941 . 0 0 "[ . 1]" 1
380 1 23 PRO HB3 1 42 TYR QD 2.982 . 4.094 3.251 3.079 3.742 . 0 0 "[ . 1]" 1
381 1 29 GLU H 1 29 GLU HG3 2.937 . 4.015 3.040 2.803 3.219 . 0 0 "[ . 1]" 1
382 1 30 TYR QE 1 32 ASP HB2 2.746 . 3.689 2.766 2.659 2.815 . 0 0 "[ . 1]" 1
383 1 18 ARG HB2 1 19 GLY H 3.036 . 4.188 3.918 3.467 4.105 . 0 0 "[ . 1]" 1
384 1 18 ARG HB2 1 18 ARG HE 2.768 . 3.726 2.606 2.166 3.921 0.195 8 0 "[ . 1]" 1
385 1 6 ARG QB 1 7 SER H 3.044 . 4.202 1.987 1.785 2.274 0.134 5 0 "[ . 1]" 1
386 1 3 GLN H 1 3 GLN HB2 2.921 . 3.988 3.118 2.761 3.348 . 0 0 "[ . 1]" 1
387 1 18 ARG H 1 18 ARG HG3 2.662 . 3.548 2.871 1.977 3.299 . 0 0 "[ . 1]" 1
388 1 18 ARG HE 1 18 ARG HG3 2.753 . 3.700 3.468 2.223 3.854 0.154 1 0 "[ . 1]" 1
389 1 23 PRO HB2 1 24 THR H 2.692 . 3.598 3.487 2.361 3.655 0.057 4 0 "[ . 1]" 1
390 1 29 GLU HG2 1 48 GLY H 3.096 . 4.294 3.594 3.436 3.753 . 0 0 "[ . 1]" 1
391 1 4 ARG H 1 4 ARG QB 2.907 . 3.679 2.912 2.517 3.018 . 0 0 "[ . 1]" 1
392 1 49 ARG H 1 49 ARG HB3 2.713 . 3.633 3.472 3.275 3.596 . 0 0 "[ . 1]" 1
393 1 18 ARG H 1 18 ARG HG2 2.859 . 3.881 3.922 3.492 4.055 0.174 3 0 "[ . 1]" 1
394 1 18 ARG HE 1 18 ARG HG2 3.055 . 4.222 2.971 2.534 3.293 . 0 0 "[ . 1]" 1
395 1 46 ARG H 1 46 ARG HB3 3.010 . 4.143 3.595 3.578 3.618 . 0 0 "[ . 1]" 1
396 1 30 TYR QE 1 46 ARG HB3 2.846 . 3.859 3.245 3.175 3.379 . 0 0 "[ . 1]" 1
397 1 23 PRO HG3 1 42 TYR QE 2.862 . 3.886 2.953 1.869 3.254 . 0 0 "[ . 1]" 1
398 1 29 GLU HB3 1 46 ARG H 3.120 . 4.337 3.679 3.388 3.854 . 0 0 "[ . 1]" 1
399 1 26 PHE H 1 29 GLU HB3 2.939 . 4.019 4.041 4.003 4.088 0.069 5 0 "[ . 1]" 1
400 1 29 GLU H 1 29 GLU HB3 2.966 . 4.066 3.854 3.798 3.905 . 0 0 "[ . 1]" 1
401 1 43 ARG H 1 43 ARG HG3 2.990 . 4.108 3.513 3.404 3.753 . 0 0 "[ . 1]" 1
402 1 5 ILE H 1 5 ILE HG13 3.012 . 4.146 2.786 2.239 3.916 . 0 0 "[ . 1]" 1
403 1 43 ARG HE 1 43 ARG HG3 2.991 . 4.109 3.623 3.580 3.674 . 0 0 "[ . 1]" 1
404 1 22 ARG HB3 1 24 THR H 2.752 . 3.699 2.447 2.284 3.057 . 0 0 "[ . 1]" 1
405 1 10 ASP HB2 1 42 TYR QE 2.857 . 3.878 3.468 2.585 4.020 0.142 8 0 "[ . 1]" 1
406 1 10 ASP HB2 1 42 TYR QD 2.825 . 3.823 3.008 2.386 3.615 . 0 0 "[ . 1]" 1
407 1 46 ARG HE 1 46 ARG HG3 3.012 . 4.146 3.551 3.055 3.621 . 0 0 "[ . 1]" 1
408 1 15 ALA MB 1 16 ASN H 2.975 . 4.081 3.578 3.521 3.638 . 0 0 "[ . 1]" 1
409 1 15 ALA MB 1 18 ARG H 2.772 . 3.733 3.148 2.997 3.251 . 0 0 "[ . 1]" 1
410 1 15 ALA MB 1 18 ARG HE 3.011 . 4.144 3.259 2.760 4.290 0.146 8 0 "[ . 1]" 1
411 1 15 ALA MB 1 35 ASN HD22 2.702 . 3.614 2.303 2.010 2.764 . 0 0 "[ . 1]" 1
412 1 22 ARG H 1 22 ARG HB2 2.714 . 3.635 2.631 2.567 2.694 . 0 0 "[ . 1]" 1
413 1 22 ARG HB2 1 22 ARG HE 2.999 . 4.123 3.724 2.908 4.222 0.099 9 0 "[ . 1]" 1
414 1 22 ARG HB2 1 24 THR H 2.868 . 3.896 3.182 2.969 3.906 0.010 8 0 "[ . 1]" 1
415 1 5 ILE H 1 5 ILE HG12 2.926 . 3.996 3.686 2.606 4.107 0.111 1 0 "[ . 1]" 1
416 1 24 THR H 1 24 THR MG 2.994 . 4.114 2.699 2.403 3.919 . 0 0 "[ . 1]" 1
417 1 15 ALA H 1 38 VAL MG2 2.877 . 3.912 3.577 3.382 3.885 . 0 0 "[ . 1]" 1
418 1 38 VAL MG2 1 39 CYS H 2.749 . 3.694 2.344 2.163 2.486 . 0 0 "[ . 1]" 1
419 1 5 ILE MG 1 6 ARG H 2.896 . 3.945 3.024 2.743 3.342 . 0 0 "[ . 1]" 1
420 1 46 ARG H 1 46 ARG HB2 2.631 . 3.496 2.463 2.429 2.499 . 0 0 "[ . 1]" 1
421 1 46 ARG HB2 1 46 ARG HE 2.917 . 3.980 3.519 2.505 3.764 . 0 0 "[ . 1]" 1
422 1 30 TYR QD 1 46 ARG HB2 3.102 . 4.305 3.384 3.276 3.468 . 0 0 "[ . 1]" 1
423 1 30 TYR QE 1 46 ARG HB2 2.758 . 3.709 2.878 2.726 2.949 . 0 0 "[ . 1]" 1
424 1 29 GLU HA 1 47 PRO HA 2.536 . 3.340 2.676 2.542 2.773 . 0 0 "[ . 1]" 1
425 1 21 CYS HA 1 44 CYS HA 2.691 . 3.596 2.656 2.455 2.908 . 0 0 "[ . 1]" 1
426 1 33 TRP HA 1 36 ASN HD22 2.968 . 4.069 4.151 3.987 4.241 0.172 2 0 "[ . 1]" 1
427 1 35 ASN HA 1 35 ASN HB3 2.816 . 3.807 2.462 2.216 2.566 . 0 0 "[ . 1]" 1
428 1 21 CYS HA 1 42 TYR HB3 2.863 . 3.887 2.893 2.710 3.136 . 0 0 "[ . 1]" 1
429 1 21 CYS HA 1 21 CYS HB3 2.755 . 3.704 2.391 2.380 2.410 . 0 0 "[ . 1]" 1
430 1 29 GLU HA 1 29 GLU HG3 2.951 . 4.040 3.078 3.012 3.155 . 0 0 "[ . 1]" 1
431 1 29 GLU HA 1 29 GLU HG2 2.706 . 3.622 2.674 2.606 2.741 . 0 0 "[ . 1]" 1
432 1 29 GLU HA 1 29 GLU HB3 2.730 . 3.662 2.442 2.417 2.472 . 0 0 "[ . 1]" 1
433 1 21 CYS HA 1 45 CYS H 2.763 . 3.717 3.256 3.012 3.450 . 0 0 "[ . 1]" 1
434 1 21 CYS H 1 21 CYS HA 2.859 . 3.880 2.865 2.852 2.880 . 0 0 "[ . 1]" 1
435 1 33 TRP HE3 1 36 ASN HD22 2.665 . 6.000 3.700 3.674 3.777 . 0 0 "[ . 1]" 1
436 1 33 TRP HZ3 1 36 ASN HD22 3.092 . 4.287 3.019 2.870 3.240 . 0 0 "[ . 1]" 1
437 1 29 GLU H 1 29 GLU HA 2.836 . 3.841 2.926 2.910 2.947 . 0 0 "[ . 1]" 1
438 1 29 GLU HA 1 30 TYR QD 3.032 . 4.181 3.362 3.271 3.457 . 0 0 "[ . 1]" 1
439 1 35 ASN H 1 35 ASN HA 2.728 . 3.658 2.860 2.840 2.872 . 0 0 "[ . 1]" 1
440 1 35 ASN HA 1 37 ASP H 2.798 . 3.777 3.609 3.533 3.796 0.019 6 0 "[ . 1]" 1
441 1 32 ASP H 1 45 CYS HA 3.046 . 4.205 3.565 3.475 3.624 . 0 0 "[ . 1]" 1
442 1 45 CYS H 1 45 CYS HA 2.751 . 3.697 2.873 2.860 2.887 . 0 0 "[ . 1]" 1
443 1 30 TYR H 1 30 TYR HA 2.771 . 3.731 2.906 2.882 2.932 . 0 0 "[ . 1]" 1
444 1 30 TYR HA 1 30 TYR QD 2.670 . 6.000 3.752 3.743 3.766 . 0 0 "[ . 1]" 1
445 1 28 HIS H 1 28 HIS HA 2.803 . 3.785 2.879 2.844 2.941 . 0 0 "[ . 1]" 1
446 1 28 HIS HA 1 29 GLU H 2.715 . 3.636 2.989 2.889 3.137 . 0 0 "[ . 1]" 1
447 1 30 TYR QD 1 32 ASP HA 2.827 . 3.826 3.526 3.459 3.571 . 0 0 "[ . 1]" 1
448 1 39 CYS HA 1 40 GLY H 2.979 . 4.088 3.253 2.445 3.538 . 0 0 "[ . 1]" 1
449 1 22 ARG HE 1 25 CYS HA 3.104 . 4.309 3.768 2.577 4.419 0.110 3 0 "[ . 1]" 1
450 1 44 CYS H 1 44 CYS HA 2.816 . 3.807 2.884 2.875 2.896 . 0 0 "[ . 1]" 1
451 1 18 ARG HA 1 19 GLY H 2.928 . 4.000 3.021 2.878 3.267 . 0 0 "[ . 1]" 1
452 1 18 ARG H 1 18 ARG HA 2.669 . 3.559 2.848 2.811 2.864 . 0 0 "[ . 1]" 1
453 1 22 ARG H 1 22 ARG HA 2.675 . 3.569 2.950 2.943 2.956 . 0 0 "[ . 1]" 1
454 1 22 ARG HA 1 42 TYR QE 2.967 . 4.067 3.855 3.473 4.146 0.079 5 0 "[ . 1]" 1
455 1 22 ARG HA 1 42 TYR QD 2.868 . 3.896 3.530 3.194 3.885 . 0 0 "[ . 1]" 1
456 1 20 TRP H 1 20 TRP HA 2.841 . 3.850 2.936 2.927 2.944 . 0 0 "[ . 1]" 1
457 1 14 CYS H 1 20 TRP HA 2.680 . 3.578 3.132 2.962 3.262 . 0 0 "[ . 1]" 1
458 1 43 ARG H 1 43 ARG HA 2.761 . 3.714 2.938 2.925 2.945 . 0 0 "[ . 1]" 1
459 1 41 SER HA 1 42 TYR H 2.891 . 3.936 3.341 3.245 3.451 . 0 0 "[ . 1]" 1
460 1 11 SER HA 1 42 TYR QD 2.706 . 3.621 2.419 2.164 2.762 . 0 0 "[ . 1]" 1
461 1 11 SER HA 1 20 TRP HE1 2.885 . 3.925 3.718 3.509 3.940 0.015 8 0 "[ . 1]" 1
462 1 41 SER H 1 41 SER HA 2.669 . 3.560 2.871 2.703 2.919 . 0 0 "[ . 1]" 1
463 1 11 SER H 1 11 SER HA 2.704 . 3.618 2.882 2.849 2.900 . 0 0 "[ . 1]" 1
464 1 11 SER HA 1 42 TYR QE 2.703 . 3.616 3.142 2.874 3.322 . 0 0 "[ . 1]" 1
465 1 34 PHE HA 1 35 ASN H 2.963 . 4.060 3.541 3.526 3.557 . 0 0 "[ . 1]" 1
466 1 11 SER HB3 1 42 TYR QE 2.864 . 3.890 3.430 2.292 3.724 . 0 0 "[ . 1]" 1
467 1 9 HIS HA 1 10 ASP H 2.724 . 3.651 3.521 3.485 3.550 . 0 0 "[ . 1]" 1
468 1 38 VAL HA 1 40 GLY H 2.994 . 4.114 3.977 3.572 4.156 0.042 4 0 "[ . 1]" 1
469 1 38 VAL HA 1 39 CYS H 2.664 . 3.551 3.444 3.411 3.490 . 0 0 "[ . 1]" 1
470 1 36 ASN HA 1 44 CYS H 2.653 . 3.533 2.459 2.329 2.719 . 0 0 "[ . 1]" 1
471 1 36 ASN HA 1 37 ASP H 2.969 . 4.071 3.494 3.481 3.515 . 0 0 "[ . 1]" 1
472 1 3 GLN H 1 3 GLN HA 2.843 . 3.854 2.891 2.845 2.933 . 0 0 "[ . 1]" 1
473 1 30 TYR QD 1 48 GLY HA2 2.751 . 3.697 2.088 1.975 2.387 . 0 0 "[ . 1]" 1
474 1 30 TYR QE 1 48 GLY HA2 2.944 . 4.027 2.467 1.910 2.665 . 0 0 "[ . 1]" 1
475 1 13 SER HA 1 21 CYS H 2.745 . 3.687 3.487 3.393 3.641 . 0 0 "[ . 1]" 1
476 1 13 SER HA 1 20 TRP HZ3 2.764 . 3.719 3.610 3.404 3.713 . 0 0 "[ . 1]" 1
477 1 12 HIS HA 1 20 TRP HH2 2.894 . 3.941 3.180 3.108 3.353 . 0 0 "[ . 1]" 1
478 1 12 HIS H 1 12 HIS HA 2.926 . 3.996 2.906 2.887 2.946 . 0 0 "[ . 1]" 1
479 1 27 SER HA 1 28 HIS H 2.830 . 3.831 2.973 2.724 3.498 . 0 0 "[ . 1]" 1
480 1 33 TRP HA 1 34 PHE H 2.852 . 3.868 3.392 3.346 3.424 . 0 0 "[ . 1]" 1
481 1 33 TRP HA 1 36 ASN HD21 2.836 . 3.841 3.129 2.645 3.903 0.062 4 0 "[ . 1]" 1
482 1 33 TRP HA 1 33 TRP HD1 3.008 . 4.139 4.140 4.111 4.172 0.033 8 0 "[ . 1]" 1
483 1 30 TYR QD 1 48 GLY HA3 2.720 . 3.645 3.218 2.899 3.481 . 0 0 "[ . 1]" 1
484 1 30 TYR QE 1 48 GLY HA3 2.918 . 6.000 4.197 3.648 4.398 . 0 0 "[ . 1]" 1
485 1 13 SER HB3 1 20 TRP HZ2 2.921 . 6.000 5.887 5.730 5.981 . 0 0 "[ . 1]" 1
486 1 13 SER HB3 1 20 TRP HH2 2.718 . 6.000 4.314 4.167 4.416 . 0 0 "[ . 1]" 1
487 1 11 SER HB2 1 42 TYR QD 2.849 . 3.863 3.553 3.205 4.655 0.792 10 1 "[ . +]" 1
488 1 40 GLY QA 1 42 TYR H 2.799 . 3.779 3.546 3.432 3.693 . 0 0 "[ . 1]" 1
489 1 7 SER QB 1 8 ASP H 3.004 . 4.132 2.317 1.876 2.888 0.039 7 0 "[ . 1]" 1
490 1 15 ALA HA 1 35 ASN HD22 3.005 . 4.134 3.136 3.016 3.763 . 0 0 "[ . 1]" 1
491 1 7 SER H 1 7 SER QB 2.721 . 3.647 2.438 2.266 2.552 . 0 0 "[ . 1]" 1
492 1 23 PRO HA 1 42 TYR QE 2.737 . 3.674 3.437 3.084 3.719 0.045 6 0 "[ . 1]" 1
493 1 24 THR HB 1 25 CYS H 2.727 . 6.000 4.020 3.525 4.177 . 0 0 "[ . 1]" 1
494 1 14 CYS HB3 1 15 ALA H 2.696 . 3.604 3.644 3.610 3.676 0.072 8 0 "[ . 1]" 1
495 1 14 CYS H 1 14 CYS HB3 3.122 . 4.341 3.317 3.231 3.356 . 0 0 "[ . 1]" 1
496 1 31 THR HB 1 33 TRP HE1 2.610 . 3.461 3.102 3.004 3.204 . 0 0 "[ . 1]" 1
497 1 31 THR HB 1 33 TRP HD1 3.054 . 4.220 4.257 4.129 4.292 0.072 4 0 "[ . 1]" 1
498 1 26 PHE HB3 1 26 PHE QD 2.693 . 3.599 2.533 2.326 2.608 . 0 0 "[ . 1]" 1
499 1 33 TRP HB3 1 34 PHE H 3.057 . 4.225 3.968 3.907 4.085 . 0 0 "[ . 1]" 1
500 1 9 HIS HB3 1 10 ASP H 3.024 . 4.167 3.235 2.524 4.203 0.036 9 0 "[ . 1]" 1
501 1 9 HIS HB3 1 9 HIS HD2 3.058 . 4.227 3.171 2.781 3.947 . 0 0 "[ . 1]" 1
502 1 17 ASN H 1 17 ASN HB2 3.056 . 4.224 3.697 3.591 3.762 . 0 0 "[ . 1]" 1
503 1 15 ALA H 1 35 ASN HB3 2.928 . 3.999 3.518 2.664 3.996 . 0 0 "[ . 1]" 1
504 1 17 ASN HB2 1 17 ASN HD22 3.096 . 4.294 4.096 4.089 4.104 . 0 0 "[ . 1]" 1
505 1 25 CYS HB3 1 26 PHE QD 2.748 . 6.000 5.399 4.690 5.696 . 0 0 "[ . 1]" 1
506 1 25 CYS H 1 25 CYS HB3 2.666 . 3.554 3.597 3.561 3.614 0.060 1 0 "[ . 1]" 1
507 1 9 HIS HB2 1 10 ASP H 2.850 . 3.865 3.307 2.650 3.923 0.058 7 0 "[ . 1]" 1
508 1 9 HIS HB2 1 9 HIS HD2 3.092 . 4.287 3.582 2.727 3.968 . 0 0 "[ . 1]" 1
509 1 46 ARG QD 1 46 ARG HE 2.660 . 3.544 2.475 2.418 2.488 . 0 0 "[ . 1]" 1
510 1 30 TYR QE 1 46 ARG QD 3.032 . 4.181 2.362 2.086 3.626 . 0 0 "[ . 1]" 1
511 1 21 CYS HB2 1 42 TYR QD 2.878 . 3.913 2.846 2.609 3.189 . 0 0 "[ . 1]" 1
512 1 16 ASN H 1 16 ASN HB3 2.933 . 6.000 4.098 4.070 4.123 . 0 0 "[ . 1]" 1
513 1 16 ASN HB3 1 16 ASN HD22 3.063 . 4.236 3.942 3.498 4.073 . 0 0 "[ . 1]" 1
514 1 17 ASN H 1 17 ASN HB3 2.874 . 3.906 3.389 3.333 3.466 . 0 0 "[ . 1]" 1
515 1 17 ASN HB3 1 17 ASN HD22 2.651 . 3.530 3.530 3.511 3.544 0.014 6 0 "[ . 1]" 1
516 1 17 ASN HB3 1 17 ASN HD21 2.969 . 4.071 2.289 2.263 2.312 . 0 0 "[ . 1]" 1
517 1 22 ARG H 1 42 TYR HB3 2.741 . 3.680 2.921 2.845 2.990 . 0 0 "[ . 1]" 1
518 1 20 TRP H 1 20 TRP HB2 2.700 . 3.611 3.147 3.100 3.223 . 0 0 "[ . 1]" 1
519 1 36 ASN HB3 1 37 ASP H 2.824 . 3.821 2.861 2.692 3.164 . 0 0 "[ . 1]" 1
520 1 42 TYR H 1 42 TYR HB3 2.692 . 3.598 3.595 3.547 3.689 0.091 8 0 "[ . 1]" 1
521 1 20 TRP HB2 1 20 TRP HD1 2.656 . 6.000 3.784 3.749 3.809 . 0 0 "[ . 1]" 1
522 1 25 CYS H 1 43 ARG HD2 2.787 . 3.758 3.550 3.274 3.758 0.000 9 0 "[ . 1]" 1
523 1 33 TRP HB2 1 34 PHE H 2.688 . 3.591 3.260 3.148 3.429 . 0 0 "[ . 1]" 1
524 1 33 TRP HE3 1 36 ASN HB2 2.659 . 3.543 3.379 3.004 3.598 0.055 5 0 "[ . 1]" 1
525 1 30 TYR H 1 30 TYR HB3 2.967 . 4.068 3.317 3.208 3.415 . 0 0 "[ . 1]" 1
526 1 30 TYR HB3 1 31 THR H 2.698 . 6.000 3.898 3.811 4.035 . 0 0 "[ . 1]" 1
527 1 21 CYS HB3 1 42 TYR QE 2.973 . 6.000 4.833 4.576 4.987 . 0 0 "[ . 1]" 1
528 1 12 HIS H 1 21 CYS HB3 3.114 . 4.326 3.371 3.243 3.468 . 0 0 "[ . 1]" 1
529 1 21 CYS H 1 21 CYS HB3 2.799 . 3.779 3.569 3.555 3.580 . 0 0 "[ . 1]" 1
530 1 20 TRP H 1 20 TRP HB3 2.733 . 3.666 2.942 2.927 2.962 . 0 0 "[ . 1]" 1
531 1 37 ASP HB3 1 38 VAL H 2.960 . 4.055 2.598 2.539 2.654 . 0 0 "[ . 1]" 1
532 1 14 CYS HB2 1 16 ASN H 3.096 . 6.000 4.625 4.490 4.715 . 0 0 "[ . 1]" 1
533 1 45 CYS HB3 1 46 ARG H 3.112 . 4.322 4.052 3.853 4.147 . 0 0 "[ . 1]" 1
534 1 16 ASN H 1 16 ASN HB2 2.767 . 3.724 3.474 3.404 3.603 . 0 0 "[ . 1]" 1
535 1 23 PRO HD2 1 24 THR H 2.692 . 3.598 2.419 2.312 2.510 . 0 0 "[ . 1]" 1
536 1 10 ASP HA 1 10 ASP HB3 2.830 . 3.831 2.585 2.476 2.911 . 0 0 "[ . 1]" 1
537 1 47 PRO HD3 1 47 PRO HG2 2.780 . 3.746 2.777 2.715 2.981 . 0 0 "[ . 1]" 1
538 1 47 PRO HD2 1 47 PRO HG2 2.668 . 3.558 2.287 2.262 2.300 . 0 0 "[ . 1]" 1
539 1 47 PRO HD3 1 47 PRO HG3 2.685 . 3.586 2.290 2.280 2.308 . 0 0 "[ . 1]" 1
540 1 47 PRO HD2 1 47 PRO HG3 2.889 . 3.932 2.921 2.708 2.977 . 0 0 "[ . 1]" 1
541 1 18 ARG HB3 1 18 ARG QD 3.082 . 4.269 3.271 2.549 3.450 . 0 0 "[ . 1]" 1
542 1 32 ASP HB2 1 46 ARG QD 3.095 . 3.920 1.937 1.828 2.176 0.070 1 0 "[ . 1]" 1
543 1 23 PRO HD2 1 23 PRO HG2 2.694 . 3.601 2.276 2.256 2.301 . 0 0 "[ . 1]" 1
544 1 5 ILE HA 1 5 ILE HB 2.784 . 3.753 3.026 3.023 3.030 . 0 0 "[ . 1]" 1
545 1 46 ARG HB3 1 47 PRO HD3 3.085 . 4.275 3.942 3.465 4.088 . 0 0 "[ . 1]" 1
546 1 46 ARG HB3 1 47 PRO HD2 2.891 . 3.936 2.853 2.198 3.051 . 0 0 "[ . 1]" 1
547 1 23 PRO HD2 1 23 PRO HG3 2.825 . 3.822 2.789 2.727 2.982 . 0 0 "[ . 1]" 1
548 1 19 GLY QA 1 46 ARG HG3 2.979 . 4.088 3.195 3.091 3.408 . 0 0 "[ . 1]" 1
549 1 15 ALA MB 1 18 ARG QD 2.788 . 3.759 3.461 2.298 3.762 0.003 10 0 "[ . 1]" 1
550 1 22 ARG HB2 1 23 PRO HD2 2.934 . 4.010 3.704 3.598 3.774 . 0 0 "[ . 1]" 1
551 1 5 ILE HA 1 5 ILE HG12 3.082 . 4.269 2.570 2.447 3.022 . 0 0 "[ . 1]" 1
552 1 46 ARG HB2 1 46 ARG HG3 2.923 . 3.991 2.376 2.239 2.411 . 0 0 "[ . 1]" 1
553 1 5 ILE HB 1 5 ILE MG 2.778 . 3.743 2.125 2.119 2.130 . 0 0 "[ . 1]" 1
554 1 46 ARG HB2 1 46 ARG QD 3.084 . 4.273 2.523 2.396 3.339 . 0 0 "[ . 1]" 1
555 1 23 PRO HD3 1 23 PRO HG3 2.767 . 3.724 2.276 2.255 2.302 . 0 0 "[ . 1]" 1
556 1 29 GLU HB3 1 45 CYS HB2 3.040 . 4.195 3.994 3.773 4.184 . 0 0 "[ . 1]" 1
557 1 25 CYS HB2 1 29 GLU HB3 3.118 . 6.000 5.021 4.629 5.450 . 0 0 "[ . 1]" 1
558 1 44 CYS HB3 1 46 ARG HG3 3.404 . 4.853 3.528 3.408 3.641 . 0 0 "[ . 1]" 1
559 1 15 ALA MB 1 46 ARG QD 2.688 . 3.591 3.112 2.430 3.313 . 0 0 "[ . 1]" 1
560 1 22 ARG HB2 1 45 CYS HB2 3.053 . 4.218 2.901 2.525 3.076 . 0 0 "[ . 1]" 1
561 1 22 ARG HB2 1 45 CYS HB3 2.990 . 4.107 3.834 3.584 3.962 . 0 0 "[ . 1]" 1
562 1 47 PRO HB3 1 47 PRO HG2 2.578 . 3.409 2.741 2.665 2.978 . 0 0 "[ . 1]" 1
563 1 23 PRO HB3 1 23 PRO HG2 2.412 . 3.139 2.944 2.713 2.990 . 0 0 "[ . 1]" 1
564 1 18 ARG HB3 1 18 ARG HG2 2.631 . 3.497 2.246 2.209 2.344 . 0 0 "[ . 1]" 1
565 1 23 PRO HD3 1 23 PRO HG2 2.843 . 3.853 2.918 2.702 2.970 . 0 0 "[ . 1]" 1
566 1 30 TYR H 1 46 ARG H 2.694 . 3.601 2.985 2.694 3.154 . 0 0 "[ . 1]" 1
567 1 20 TRP H 1 45 CYS H 2.805 . 3.788 3.189 3.007 3.342 . 0 0 "[ . 1]" 1
568 1 28 HIS H 1 29 GLU H 3.055 . 4.222 2.066 1.846 2.724 0.042 9 0 "[ . 1]" 1
569 1 13 SER H 1 20 TRP HH2 3.124 . 4.344 3.802 3.726 3.915 . 0 0 "[ . 1]" 1
570 1 33 TRP HZ3 1 36 ASN HD21 2.980 . 4.090 3.108 2.378 3.621 . 0 0 "[ . 1]" 1
571 1 22 ARG HE 1 26 PHE QD 3.119 . 4.335 3.372 3.012 4.174 . 0 0 "[ . 1]" 1
572 1 26 PHE H 1 26 PHE QD 2.769 . 3.727 2.801 2.129 3.022 . 0 0 "[ . 1]" 1
573 1 30 TYR QD 1 31 THR H 2.851 . 3.867 3.322 3.217 3.548 . 0 0 "[ . 1]" 1
574 1 12 HIS H 1 21 CYS H 2.906 . 3.961 2.867 2.715 3.153 . 0 0 "[ . 1]" 1
575 1 42 TYR QD 1 43 ARG H 2.912 . 3.972 3.457 3.129 3.741 . 0 0 "[ . 1]" 1
576 1 42 TYR H 1 42 TYR QD 2.856 . 3.876 3.611 3.374 3.741 . 0 0 "[ . 1]" 1
577 1 14 CYS H 1 19 GLY H 2.788 . 3.760 3.187 2.997 3.331 . 0 0 "[ . 1]" 1
578 1 42 TYR QE 1 43 ARG HE 3.115 . 6.000 5.951 5.500 6.103 0.103 1 0 "[ . 1]" 1
579 1 36 ASN HD22 1 44 CYS H 3.385 . 4.817 3.964 3.683 4.196 . 0 0 "[ . 1]" 1
580 1 35 ASN HA 1 35 ASN HD21 3.387 . 4.821 3.453 2.249 3.808 . 0 0 "[ . 1]" 1
581 1 20 TRP H 1 46 ARG HA 3.331 . 4.718 3.044 2.891 3.190 . 0 0 "[ . 1]" 1
582 1 46 ARG HA 1 46 ARG HE 3.347 . 4.748 4.003 3.905 4.447 . 0 0 "[ . 1]" 1
583 1 14 CYS HA 1 16 ASN H 3.182 . 4.448 3.224 3.040 3.367 . 0 0 "[ . 1]" 1
584 1 28 HIS HA 1 28 HIS HD2 3.375 . 4.799 4.381 4.299 4.461 . 0 0 "[ . 1]" 1
585 1 32 ASP HA 1 33 TRP HD1 3.147 . 4.385 4.022 3.874 4.158 . 0 0 "[ . 1]" 1
586 1 8 ASP HA 1 10 ASP H 3.244 . 4.559 4.569 4.371 4.677 0.118 5 0 "[ . 1]" 1
587 1 30 TYR H 1 47 PRO HA 3.197 . 4.474 4.390 4.270 4.488 0.014 7 0 "[ . 1]" 1
588 1 2 TYR HA 1 2 TYR QD 3.199 . 4.478 2.752 2.425 3.020 . 0 0 "[ . 1]" 1
589 1 20 TRP HD1 1 22 ARG HA 3.137 . 4.367 3.444 3.126 3.857 . 0 0 "[ . 1]" 1
590 1 11 SER HA 1 20 TRP HD1 3.352 . 4.757 4.714 4.544 4.802 0.045 1 0 "[ . 1]" 1
591 1 34 PHE HA 1 36 ASN H 3.215 . 4.507 3.987 3.784 4.040 . 0 0 "[ . 1]" 1
592 1 11 SER HB3 1 20 TRP HE1 3.142 . 4.376 3.751 3.038 4.034 . 0 0 "[ . 1]" 1
593 1 11 SER HB3 1 42 TYR QD 3.288 . 4.639 4.543 3.462 4.892 0.253 5 0 "[ . 1]" 1
594 1 12 HIS HE1 1 38 VAL HA 3.282 . 4.628 4.631 4.571 4.701 0.073 4 0 "[ . 1]" 1
595 1 12 HIS HA 1 20 TRP HE1 3.334 . 4.724 4.734 4.555 4.782 0.058 5 0 "[ . 1]" 1
596 1 17 ASN HA 1 17 ASN HD21 3.365 . 4.780 4.082 4.028 4.117 . 0 0 "[ . 1]" 1
597 1 31 THR HA 1 46 ARG H 3.211 . 4.500 3.649 3.461 3.835 . 0 0 "[ . 1]" 1
598 1 27 SER HA 1 29 GLU H 3.134 . 4.362 3.592 3.411 3.798 . 0 0 "[ . 1]" 1
599 1 13 SER HB2 1 17 ASN H 3.214 . 4.505 2.786 2.488 3.020 . 0 0 "[ . 1]" 1
600 1 13 SER HB3 1 20 TRP HZ3 3.333 . 4.722 2.104 2.008 2.180 . 0 0 "[ . 1]" 1
601 1 11 SER HB2 1 20 TRP HE1 3.265 . 4.598 4.006 3.673 4.276 . 0 0 "[ . 1]" 1
602 1 15 ALA HA 1 35 ASN HD21 3.172 . 4.430 4.146 3.002 4.514 0.084 8 0 "[ . 1]" 1
603 1 46 ARG HE 1 47 PRO HD2 3.219 . 4.515 4.005 3.731 4.141 . 0 0 "[ . 1]" 1
604 1 23 PRO HA 1 43 ARG H 3.138 . 4.369 3.781 3.560 4.197 . 0 0 "[ . 1]" 1
605 1 14 CYS HB3 1 19 GLY H 3.277 . 6.000 5.994 5.740 6.043 0.043 3 0 "[ . 1]" 1
606 1 31 THR HB 1 33 TRP HZ2 3.274 . 4.614 4.321 4.212 4.450 . 0 0 "[ . 1]" 1
607 1 23 PRO HD2 1 42 TYR QE 3.191 . 4.464 4.266 4.053 4.436 . 0 0 "[ . 1]" 1
608 1 22 ARG H 1 42 TYR HB2 3.199 . 4.479 4.463 4.311 4.510 0.031 2 0 "[ . 1]" 1
609 1 18 ARG H 1 18 ARG QD 3.241 . 4.554 2.339 1.856 3.510 0.136 6 0 "[ . 1]" 1
610 1 25 CYS HB3 1 29 GLU H 3.311 . 4.681 4.359 4.218 4.641 . 0 0 "[ . 1]" 1
611 1 30 TYR H 1 30 TYR HB2 3.182 . 4.448 3.925 3.878 3.955 . 0 0 "[ . 1]" 1
612 1 21 CYS HB2 1 42 TYR QE 3.243 . 4.558 4.601 4.525 4.628 0.070 7 0 "[ . 1]" 1
613 1 16 ASN HB3 1 18 ARG HE 3.363 . 4.777 4.560 3.083 4.874 0.097 10 0 "[ . 1]" 1
614 1 16 ASN HB3 1 16 ASN HD21 3.379 . 4.806 3.236 2.257 3.500 . 0 0 "[ . 1]" 1
615 1 20 TRP HB2 1 21 CYS H 3.287 . 4.637 4.162 4.104 4.244 . 0 0 "[ . 1]" 1
616 1 33 TRP HZ3 1 36 ASN HB2 3.389 . 4.825 4.858 4.740 4.964 0.139 4 0 "[ . 1]" 1
617 1 14 CYS H 1 14 CYS HB2 3.231 . 4.536 3.845 3.820 3.870 . 0 0 "[ . 1]" 1
618 1 16 ASN HB2 1 17 ASN H 3.384 . 4.815 4.481 4.421 4.532 . 0 0 "[ . 1]" 1
619 1 16 ASN HB2 1 18 ARG HE 3.168 . 4.422 3.270 2.123 3.710 . 0 0 "[ . 1]" 1
620 1 39 CYS HB3 1 40 GLY H 3.336 . 4.727 3.954 3.625 4.310 . 0 0 "[ . 1]" 1
621 1 26 PHE HB2 1 28 HIS HD2 3.276 . 4.618 2.481 2.083 3.145 . 0 0 "[ . 1]" 1
622 1 10 ASP HB3 1 11 SER H 3.382 . 4.811 4.060 3.700 4.258 . 0 0 "[ . 1]" 1
623 1 10 ASP HB3 1 12 HIS HD2 3.281 . 4.627 4.354 3.692 4.623 . 0 0 "[ . 1]" 1
624 1 15 ALA H 1 35 ASN HB2 3.342 . 4.738 4.493 4.057 4.720 . 0 0 "[ . 1]" 1
625 1 35 ASN HB2 1 36 ASN H 3.359 . 4.770 3.436 3.267 3.619 . 0 0 "[ . 1]" 1
626 1 18 ARG HB3 1 19 GLY H 3.315 . 4.688 4.368 4.209 4.455 . 0 0 "[ . 1]" 1
627 1 23 PRO HB3 1 24 THR H 3.220 . 4.516 4.231 3.779 4.328 . 0 0 "[ . 1]" 1
628 1 26 PHE H 1 29 GLU HG3 3.163 . 4.414 3.540 3.363 3.730 . 0 0 "[ . 1]" 1
629 1 32 ASP HB2 1 33 TRP H 3.304 . 4.668 4.341 4.283 4.426 . 0 0 "[ . 1]" 1
630 1 30 TYR QD 1 32 ASP HB2 3.213 . 4.503 3.798 3.769 3.827 . 0 0 "[ . 1]" 1
631 1 3 GLN H 1 3 GLN HB3 3.257 . 4.583 3.178 2.868 3.837 . 0 0 "[ . 1]" 1
632 1 18 ARG HB2 1 46 ARG HE 3.226 . 4.527 3.362 3.099 4.603 0.076 9 0 "[ . 1]" 1
633 1 23 PRO HB2 1 42 TYR QE 3.235 . 4.543 3.864 3.626 4.218 . 0 0 "[ . 1]" 1
634 1 29 GLU HG2 1 30 TYR H 3.312 . 4.683 4.073 3.977 4.235 . 0 0 "[ . 1]" 1
635 1 29 GLU H 1 29 GLU HG2 3.276 . 4.618 4.141 3.974 4.296 . 0 0 "[ . 1]" 1
636 1 19 GLY H 1 46 ARG HB3 3.387 . 6.000 5.263 4.899 5.402 . 0 0 "[ . 1]" 1
637 1 30 TYR QD 1 46 ARG HB3 3.326 . 4.709 4.447 4.323 4.606 . 0 0 "[ . 1]" 1
638 1 6 ARG H 1 6 ARG HG2 3.150 . 4.391 3.407 1.888 4.636 0.245 3 0 "[ . 1]" 1
639 1 6 ARG H 1 6 ARG HG3 3.213 . 4.504 3.731 3.193 4.206 . 0 0 "[ . 1]" 1
640 1 23 PRO HG3 1 42 TYR QD 3.264 . 4.596 4.523 3.601 4.672 0.076 1 0 "[ . 1]" 1
641 1 23 PRO HG3 1 24 THR H 3.203 . 4.485 4.174 4.040 4.296 . 0 0 "[ . 1]" 1
642 1 29 GLU HB3 1 30 TYR QD 3.290 . 4.643 4.722 4.672 4.746 0.103 10 0 "[ . 1]" 1
643 1 20 TRP HD1 1 22 ARG HB3 3.279 . 4.623 4.139 3.939 4.462 . 0 0 "[ . 1]" 1
644 1 32 ASP H 1 46 ARG HG3 3.270 . 4.606 3.015 2.571 3.204 . 0 0 "[ . 1]" 1
645 1 10 ASP HB2 1 42 TYR H 3.356 . 4.764 4.020 3.248 4.839 0.075 5 0 "[ . 1]" 1
646 1 10 ASP HB2 1 11 SER H 3.333 . 4.722 3.516 3.058 4.142 . 0 0 "[ . 1]" 1
647 1 46 ARG H 1 46 ARG HG3 3.147 . 4.385 2.366 2.266 2.627 . 0 0 "[ . 1]" 1
648 1 30 TYR QE 1 46 ARG HG3 3.277 . 4.619 3.758 3.142 3.943 . 0 0 "[ . 1]" 1
649 1 46 ARG H 1 46 ARG HG2 3.285 . 4.634 3.359 2.969 3.516 . 0 0 "[ . 1]" 1
650 1 22 ARG HB2 1 45 CYS H 3.383 . 4.814 3.840 3.607 3.970 . 0 0 "[ . 1]" 1
651 1 37 ASP H 1 38 VAL MG2 3.315 . 4.688 4.304 4.236 4.420 . 0 0 "[ . 1]" 1
652 1 37 ASP H 1 38 VAL MG1 3.269 . 4.605 4.045 3.971 4.224 . 0 0 "[ . 1]" 1
653 1 5 ILE H 1 5 ILE MG 3.142 . 4.376 3.770 3.718 3.820 . 0 0 "[ . 1]" 1
654 1 31 THR MG 1 33 TRP HH2 3.243 . 4.558 3.872 3.774 3.992 . 0 0 "[ . 1]" 1
655 1 31 THR MG 1 33 TRP HZ3 3.245 . 4.562 4.513 4.364 4.625 0.063 5 0 "[ . 1]" 1
656 1 31 THR MG 1 43 ARG HE 3.247 . 6.000 4.858 4.671 5.099 . 0 0 "[ . 1]" 1
657 1 31 THR HA 1 31 THR HB 2.893 . 3.939 3.025 3.022 3.029 . 0 0 "[ . 1]" 1
658 1 8 ASP QB 1 11 SER HB3 3.347 . 4.634 2.957 2.181 4.044 . 0 0 "[ . 1]" 1
659 1 8 ASP QB 1 9 HIS HA 3.255 . 4.579 4.412 4.294 4.567 . 0 0 "[ . 1]" 1
660 1 13 SER HA 1 20 TRP HB3 3.266 . 6.000 4.997 4.860 5.210 . 0 0 "[ . 1]" 1
661 1 15 ALA HA 1 35 ASN HB3 3.216 . 6.000 4.995 4.019 5.540 . 0 0 "[ . 1]" 1
662 1 23 PRO HA 1 43 ARG HD2 3.311 . 4.681 4.297 4.098 4.600 . 0 0 "[ . 1]" 1
663 1 8 ASP QB 1 11 SER HB2 3.141 . 4.374 2.438 1.945 3.988 0.023 7 0 "[ . 1]" 1
664 1 14 CYS HB2 1 15 ALA HA 3.361 . 4.773 4.286 4.242 4.348 . 0 0 "[ . 1]" 1
665 1 31 THR HA 1 32 ASP HB3 3.343 . 4.740 4.735 4.659 4.908 0.168 4 0 "[ . 1]" 1
666 1 24 THR HA 1 25 CYS HB2 3.284 . 4.632 4.608 4.553 4.656 0.024 9 0 "[ . 1]" 1
667 1 47 PRO HB3 1 47 PRO HD3 3.150 . 4.390 3.829 3.072 4.029 . 0 0 "[ . 1]" 1
668 1 23 PRO HA 1 23 PRO HD3 3.300 . 4.661 3.746 3.673 3.836 . 0 0 "[ . 1]" 1
669 1 47 PRO HB2 1 47 PRO HD3 3.289 . 4.641 3.908 3.873 3.992 . 0 0 "[ . 1]" 1
670 1 18 ARG HB2 1 18 ARG QD 3.229 . 4.435 2.344 2.018 2.474 . 0 0 "[ . 1]" 1
671 1 23 PRO HB2 1 23 PRO HD2 3.328 . 4.712 3.862 3.075 4.019 . 0 0 "[ . 1]" 1
672 1 4 ARG QB 1 6 ARG HA 3.264 . 6.000 4.905 4.276 5.798 . 0 0 "[ . 1]" 1
673 1 5 ILE HA 1 5 ILE HG13 3.322 . 4.702 3.082 2.919 3.718 . 0 0 "[ . 1]" 1
674 1 31 THR HA 1 43 ARG HB2 3.339 . 4.733 3.991 3.810 4.207 . 0 0 "[ . 1]" 1
675 1 32 ASP HB3 1 46 ARG HG3 3.259 . 4.587 2.645 2.492 2.920 . 0 0 "[ . 1]" 1
676 1 46 ARG HB3 1 46 ARG HG3 2.826 . 3.824 2.999 2.930 3.010 . 0 0 "[ . 1]" 1
677 1 15 ALA MB 1 35 ASN HB2 2.956 . 4.048 3.584 3.444 3.801 . 0 0 "[ . 1]" 1
678 1 15 ALA MB 1 18 ARG HB3 3.018 . 4.157 3.169 2.963 3.493 . 0 0 "[ . 1]" 1
679 1 15 ALA MB 1 18 ARG HB2 2.882 . 3.920 2.185 1.855 2.305 . 0 0 "[ . 1]" 1
680 1 46 ARG HB2 1 47 PRO HD2 3.395 . 4.835 4.231 3.683 4.395 . 0 0 "[ . 1]" 1
681 1 42 TYR H 1 43 ARG H 3.390 . 4.826 4.418 4.242 4.510 . 0 0 "[ . 1]" 1
682 1 37 ASP H 1 39 CYS H 3.345 . 4.743 3.918 3.784 4.094 . 0 0 "[ . 1]" 1
683 1 26 PHE H 1 29 GLU H 3.322 . 4.701 4.484 4.165 4.705 0.004 8 0 "[ . 1]" 1
684 1 35 ASN H 1 35 ASN HD21 3.136 . 4.365 2.625 2.295 3.476 . 0 0 "[ . 1]" 1
685 1 32 ASP H 1 33 TRP H 3.381 . 4.810 4.439 4.360 4.499 . 0 0 "[ . 1]" 1
686 1 30 TYR QD 1 48 GLY H 3.319 . 4.696 3.806 3.429 3.941 . 0 0 "[ . 1]" 1
687 1 12 HIS H 1 20 TRP HE1 3.282 . 4.628 4.347 4.243 4.620 . 0 0 "[ . 1]" 1
688 1 22 ARG H 1 42 TYR QD 3.347 . 4.747 4.213 4.005 4.441 . 0 0 "[ . 1]" 1
689 1 19 GLY H 1 20 TRP H 3.362 . 4.775 4.218 4.165 4.322 . 0 0 "[ . 1]" 1
690 1 27 SER H 1 28 HIS H 3.210 . 4.498 3.028 2.557 3.266 . 0 0 "[ . 1]" 1
691 1 48 GLY H 1 49 ARG H 3.099 . 4.299 2.951 2.758 3.267 . 0 0 "[ . 1]" 1
692 1 20 TRP HD1 1 21 CYS H 3.181 . 4.446 3.551 3.351 3.738 . 0 0 "[ . 1]" 1
693 1 21 CYS HA 1 42 TYR QD 3.432 . 4.904 4.230 3.996 4.432 . 0 0 "[ . 1]" 1
694 1 29 GLU HA 1 46 ARG H 3.686 . 5.384 5.007 4.742 5.187 . 0 0 "[ . 1]" 1
695 1 35 ASN HA 1 38 VAL H 3.651 . 5.317 2.670 2.456 2.966 . 0 0 "[ . 1]" 1
696 1 35 ASN HA 1 35 ASN HD22 3.666 . 5.346 4.188 3.837 4.389 . 0 0 "[ . 1]" 1
697 1 30 TYR HA 1 30 TYR QE 3.469 . 6.000 5.678 5.663 5.695 . 0 0 "[ . 1]" 1
698 1 14 CYS HA 1 17 ASN H 3.484 . 5.001 4.380 4.220 4.571 . 0 0 "[ . 1]" 1
699 1 22 ARG H 1 42 TYR HA 3.572 . 5.167 5.032 4.838 5.202 0.035 5 0 "[ . 1]" 1
700 1 25 CYS HA 1 26 PHE QD 3.618 . 5.254 4.115 2.904 4.439 . 0 0 "[ . 1]" 1
701 1 30 TYR QD 1 47 PRO HA 3.573 . 5.169 4.863 4.686 4.932 . 0 0 "[ . 1]" 1
702 1 20 TRP H 1 44 CYS HA 3.500 . 5.031 3.628 3.513 3.810 . 0 0 "[ . 1]" 1
703 1 18 ARG HA 1 18 ARG HE 3.588 . 5.197 4.988 4.864 5.236 0.039 8 0 "[ . 1]" 1
704 1 22 ARG HA 1 24 THR H 3.426 . 4.894 3.908 3.745 4.522 . 0 0 "[ . 1]" 1
705 1 13 SER H 1 20 TRP HA 3.544 . 5.114 4.753 4.676 4.864 . 0 0 "[ . 1]" 1
706 1 36 ASN HD21 1 43 ARG HA 3.534 . 5.095 3.323 3.005 3.499 . 0 0 "[ . 1]" 1
707 1 11 SER HB3 1 12 HIS H 3.474 . 4.982 4.316 4.133 4.410 . 0 0 "[ . 1]" 1
708 1 30 TYR QE 1 49 ARG HA 3.580 . 5.182 5.182 4.878 5.311 0.129 9 0 "[ . 1]" 1
709 1 36 ASN HA 1 36 ASN HD21 3.637 . 5.291 3.894 3.613 3.957 . 0 0 "[ . 1]" 1
710 1 15 ALA H 1 16 ASN HA 3.512 . 5.053 5.058 4.983 5.119 0.066 6 0 "[ . 1]" 1
711 1 16 ASN HA 1 16 ASN HD22 3.553 . 5.131 4.078 3.464 4.558 . 0 0 "[ . 1]" 1
712 1 33 TRP HA 1 35 ASN H 3.550 . 5.126 4.679 4.570 4.763 . 0 0 "[ . 1]" 1
713 1 33 TRP HA 1 33 TRP HZ3 3.533 . 5.093 4.772 4.722 4.862 . 0 0 "[ . 1]" 1
714 1 46 ARG HE 1 47 PRO HD3 3.692 . 5.395 5.364 5.196 5.547 0.152 9 0 "[ . 1]" 1
715 1 24 THR HA 1 43 ARG HE 3.576 . 5.174 4.696 4.365 5.214 0.040 7 0 "[ . 1]" 1
716 1 11 SER HB2 1 12 HIS H 3.520 . 5.069 4.489 4.127 4.609 . 0 0 "[ . 1]" 1
717 1 15 ALA HA 1 17 ASN H 3.715 . 5.440 5.441 5.287 5.580 0.140 8 0 "[ . 1]" 1
718 1 30 TYR QE 1 47 PRO HD2 3.728 . 5.465 5.081 4.430 5.244 . 0 0 "[ . 1]" 1
719 1 31 THR HB 1 32 ASP H 3.490 . 5.012 4.354 4.299 4.421 . 0 0 "[ . 1]" 1
720 1 30 TYR QD 1 31 THR HB 3.690 . 5.392 4.718 4.602 4.857 . 0 0 "[ . 1]" 1
721 1 23 PRO HD2 1 42 TYR QD 3.452 . 4.942 4.768 4.442 4.965 0.023 4 0 "[ . 1]" 1
722 1 14 CYS H 1 19 GLY QA 3.511 . 5.052 3.127 3.002 3.208 . 0 0 "[ . 1]" 1
723 1 12 HIS H 1 12 HIS HB3 3.452 . 4.941 3.410 3.343 3.466 . 0 0 "[ . 1]" 1
724 1 33 TRP HB3 1 36 ASN HD21 3.682 . 5.377 4.814 4.578 5.268 . 0 0 "[ . 1]" 1
725 1 41 SER H 1 42 TYR HB2 3.542 . 5.110 4.206 4.080 4.359 . 0 0 "[ . 1]" 1
726 1 17 ASN HB2 1 17 ASN HD21 3.468 . 4.972 3.488 3.474 3.497 . 0 0 "[ . 1]" 1
727 1 16 ASN H 1 18 ARG QD 3.593 . 5.207 4.784 4.675 5.120 . 0 0 "[ . 1]" 1
728 1 35 ASN HB3 1 37 ASP H 3.646 . 5.308 5.396 5.287 5.585 0.277 4 0 "[ . 1]" 1
729 1 25 CYS HB3 1 30 TYR H 3.459 . 4.955 4.034 3.575 4.354 . 0 0 "[ . 1]" 1
730 1 32 ASP H 1 46 ARG QD 3.692 . 5.395 4.031 3.879 4.171 . 0 0 "[ . 1]" 1
731 1 46 ARG H 1 46 ARG QD 3.673 . 5.360 3.960 3.875 4.373 . 0 0 "[ . 1]" 1
732 1 21 CYS HB2 1 22 ARG H 3.510 . 5.050 4.338 4.251 4.410 . 0 0 "[ . 1]" 1
733 1 12 HIS HB2 1 12 HIS HE1 3.702 . 5.415 4.791 4.765 4.825 . 0 0 "[ . 1]" 1
734 1 12 HIS HB2 1 20 TRP HE3 3.679 . 6.000 6.057 6.033 6.090 0.090 5 0 "[ . 1]" 1
735 1 33 TRP HH2 1 36 ASN HB3 3.501 . 6.000 6.100 6.010 6.159 0.159 2 0 "[ . 1]" 1
736 1 33 TRP HH2 1 43 ARG HD3 3.475 . 4.984 5.002 4.959 5.033 0.049 5 0 "[ . 1]" 1
737 1 33 TRP HB2 1 33 TRP HE1 3.485 . 5.003 4.800 4.791 4.808 . 0 0 "[ . 1]" 1
738 1 35 ASN H 1 36 ASN HB2 3.454 . 4.945 4.525 4.237 4.616 . 0 0 "[ . 1]" 1
739 1 8 ASP QB 1 11 SER H 3.486 . 5.005 2.577 2.000 3.869 . 0 0 "[ . 1]" 1
740 1 34 PHE H 1 44 CYS HB3 3.576 . 5.175 5.003 4.806 5.104 . 0 0 "[ . 1]" 1
741 1 39 CYS HB2 1 40 GLY H 3.504 . 5.038 3.385 2.724 4.456 . 0 0 "[ . 1]" 1
742 1 45 CYS HB2 1 46 ARG H 3.454 . 4.945 4.454 4.429 4.481 . 0 0 "[ . 1]" 1
743 1 36 ASN H 1 37 ASP HB2 3.698 . 5.407 4.988 4.723 5.204 . 0 0 "[ . 1]" 1
744 1 20 TRP HB3 1 20 TRP HE1 3.662 . 5.338 4.772 4.751 4.798 . 0 0 "[ . 1]" 1
745 1 12 HIS HE1 1 14 CYS HB2 3.493 . 5.018 4.335 4.133 4.791 . 0 0 "[ . 1]" 1
746 1 30 TYR H 1 45 CYS HB3 3.660 . 5.334 4.077 3.810 4.224 . 0 0 "[ . 1]" 1
747 1 26 PHE H 1 45 CYS HB3 3.470 . 4.975 3.430 3.173 3.559 . 0 0 "[ . 1]" 1
748 1 39 CYS HB3 1 44 CYS H 3.472 . 4.979 4.821 4.593 4.989 0.010 8 0 "[ . 1]" 1
749 1 26 PHE HB2 1 29 GLU H 3.483 . 5.000 4.283 3.487 4.731 . 0 0 "[ . 1]" 1
750 1 30 TYR QD 1 32 ASP HB3 3.560 . 5.144 5.160 5.039 5.216 0.072 4 0 "[ . 1]" 1
751 1 29 GLU HB2 1 46 ARG H 3.660 . 5.334 5.210 4.959 5.352 0.018 8 0 "[ . 1]" 1
752 1 29 GLU HB2 1 48 GLY H 3.485 . 5.003 5.068 4.904 5.112 0.109 5 0 "[ . 1]" 1
753 1 28 HIS HD2 1 29 GLU HG3 3.652 . 5.319 3.466 2.993 3.961 . 0 0 "[ . 1]" 1
754 1 26 PHE QD 1 29 GLU HG3 3.509 . 5.048 3.874 3.157 4.564 . 0 0 "[ . 1]" 1
755 1 29 GLU HG3 1 30 TYR H 3.584 . 5.189 4.740 4.672 4.876 . 0 0 "[ . 1]" 1
756 1 3 GLN HB3 1 4 ARG H 3.530 . 5.088 4.250 3.153 4.445 . 0 0 "[ . 1]" 1
757 1 23 PRO HG2 1 42 TYR QE 3.475 . 4.984 4.278 3.616 4.549 . 0 0 "[ . 1]" 1
758 1 6 ARG QB 1 6 ARG HE 3.573 . 5.168 3.960 2.959 4.333 . 0 0 "[ . 1]" 1
759 1 23 PRO HB2 1 42 TYR QD 3.514 . 5.058 4.613 4.352 4.847 . 0 0 "[ . 1]" 1
760 1 26 PHE H 1 29 GLU HG2 3.495 . 5.022 4.549 4.420 4.684 . 0 0 "[ . 1]" 1
761 1 6 ARG HG2 1 7 SER H 3.688 . 5.388 4.040 2.190 4.557 . 0 0 "[ . 1]" 1
762 1 6 ARG HG3 1 7 SER H 3.644 . 5.304 4.273 3.065 4.680 . 0 0 "[ . 1]" 1
763 1 29 GLU HB3 1 48 GLY H 3.444 . 4.926 4.464 4.265 4.649 . 0 0 "[ . 1]" 1
764 1 43 ARG HG3 1 44 CYS H 3.623 . 5.264 4.147 4.085 4.231 . 0 0 "[ . 1]" 1
765 1 10 ASP HB2 1 12 HIS HD2 3.648 . 5.311 5.180 4.636 5.363 0.052 9 0 "[ . 1]" 1
766 1 15 ALA MB 1 17 ASN H 3.573 . 5.169 4.518 4.307 4.673 . 0 0 "[ . 1]" 1
767 1 14 CYS H 1 15 ALA MB 3.439 . 4.917 4.247 4.187 4.282 . 0 0 "[ . 1]" 1
768 1 22 ARG HB2 1 26 PHE H 3.618 . 6.000 5.162 4.968 5.277 . 0 0 "[ . 1]" 1
769 1 5 ILE HG12 1 6 ARG H 3.696 . 5.404 4.589 4.335 5.105 . 0 0 "[ . 1]" 1
770 1 12 HIS HD2 1 38 VAL MG2 3.587 . 5.195 5.372 5.300 5.485 0.290 5 0 "[ . 1]" 1
771 1 5 ILE MG 1 7 SER H 3.467 . 4.970 4.290 3.887 4.644 . 0 0 "[ . 1]" 1
772 1 30 TYR H 1 46 ARG HB2 3.560 . 5.145 3.498 3.393 3.656 . 0 0 "[ . 1]" 1
773 1 36 ASN HD22 1 43 ARG HA 3.469 . 4.974 2.816 2.402 2.972 . 0 0 "[ . 1]" 1
774 1 31 THR HA 1 45 CYS HA 3.226 . 4.527 2.858 2.727 2.956 . 0 0 "[ . 1]" 1
775 1 23 PRO HB2 1 23 PRO HD3 3.508 . 5.046 3.988 3.939 4.036 . 0 0 "[ . 1]" 1
776 1 26 PHE HB2 1 29 GLU HG2 3.544 . 5.114 4.252 3.905 4.571 . 0 0 "[ . 1]" 1
777 1 29 GLU HG2 1 47 PRO HB3 3.618 . 5.254 3.946 3.619 4.284 . 0 0 "[ . 1]" 1
778 1 46 ARG HB3 1 48 GLY HA2 3.554 . 5.133 5.192 5.013 5.289 0.156 9 0 "[ . 1]" 1
779 1 46 ARG HB3 1 46 ARG QD 3.226 . 4.526 2.693 2.523 2.745 . 0 0 "[ . 1]" 1
780 1 19 GLY QA 1 46 ARG HB3 3.839 . 5.681 3.418 3.072 3.530 . 0 0 "[ . 1]" 1
781 1 24 THR HA 1 43 ARG HG3 3.724 . 5.457 4.709 4.358 5.197 . 0 0 "[ . 1]" 1
782 1 46 ARG HG3 1 47 PRO HD3 3.703 . 5.417 5.347 5.263 5.504 0.087 6 0 "[ . 1]" 1
783 1 10 ASP HB2 1 42 TYR HB2 3.552 . 5.129 3.752 2.927 5.156 0.027 5 0 "[ . 1]" 1
784 1 15 ALA MB 1 47 PRO HD3 3.542 . 6.000 5.795 5.619 6.042 0.042 8 0 "[ . 1]" 1
785 1 15 ALA MB 1 44 CYS HB2 3.677 . 5.367 5.193 5.025 5.397 0.030 9 0 "[ . 1]" 1
786 1 15 ALA MB 1 32 ASP HB3 3.577 . 5.176 4.676 4.498 4.826 . 0 0 "[ . 1]" 1
787 1 22 ARG HB2 1 42 TYR HB3 3.624 . 5.266 5.090 5.022 5.167 . 0 0 "[ . 1]" 1
788 1 38 VAL MG2 1 44 CYS HB2 3.596 . 5.212 3.728 3.650 3.838 . 0 0 "[ . 1]" 1
789 1 36 ASN HA 1 38 VAL MG2 3.568 . 5.160 4.242 4.019 4.342 . 0 0 "[ . 1]" 1
790 1 38 VAL MG2 1 44 CYS HB3 3.375 . 4.799 4.952 4.882 5.035 0.236 6 0 "[ . 1]" 1
791 1 37 ASP HB2 1 38 VAL MG1 3.456 . 4.949 4.704 4.642 4.818 . 0 0 "[ . 1]" 1
792 1 46 ARG HB2 1 47 PRO HD3 3.660 . 5.335 4.827 4.581 5.007 . 0 0 "[ . 1]" 1
793 1 31 THR MG 1 33 TRP HB3 4.646 . 7.344 4.874 4.750 4.974 . 0 0 "[ . 1]" 1
794 1 31 THR MG 1 44 CYS HB3 3.684 . 5.381 4.423 4.271 4.581 . 0 0 "[ . 1]" 1
795 1 36 ASN HB3 1 37 ASP HA 3.712 . 5.435 4.036 3.853 4.180 . 0 0 "[ . 1]" 1
796 1 43 ARG HA 1 43 ARG HD3 3.462 . 4.960 4.810 4.721 4.860 . 0 0 "[ . 1]" 1
797 1 36 ASN HA 1 39 CYS HB3 3.035 . 4.186 3.877 3.725 4.009 . 0 0 "[ . 1]" 1
798 1 47 PRO HB3 1 47 PRO HD2 3.454 . 4.945 3.940 3.912 3.966 . 0 0 "[ . 1]" 1
799 1 30 TYR HA 1 31 THR HB 3.506 . 5.042 4.881 4.830 4.932 . 0 0 "[ . 1]" 1
800 1 30 TYR HA 1 30 TYR HB2 2.465 . 3.224 2.438 2.421 2.468 . 0 0 "[ . 1]" 1
801 1 30 TYR HA 1 30 TYR HB3 2.277 . 2.925 2.471 2.449 2.479 . 0 0 "[ . 1]" 1
802 1 46 ARG HA 1 47 PRO HD2 2.556 . 3.373 2.295 2.056 2.408 . 0 0 "[ . 1]" 1
803 1 46 ARG HA 1 46 ARG QD 3.436 . 4.912 4.145 3.581 4.228 . 0 0 "[ . 1]" 1
804 1 46 ARG HA 1 47 PRO HG2 3.615 . 5.248 4.367 4.242 4.459 . 0 0 "[ . 1]" 1
805 1 46 ARG HA 1 47 PRO HG3 3.586 . 5.194 4.304 4.225 4.406 . 0 0 "[ . 1]" 1
806 1 46 ARG HA 1 46 ARG HB3 2.847 . 3.860 2.470 2.433 2.495 . 0 0 "[ . 1]" 1
807 1 46 ARG HA 1 46 ARG HG3 3.017 . 4.155 3.225 3.122 3.518 . 0 0 "[ . 1]" 1
808 1 46 ARG HA 1 46 ARG HG2 3.023 . 4.166 2.511 2.424 2.558 . 0 0 "[ . 1]" 1
809 1 26 PHE HA 1 26 PHE HB2 2.968 . 4.069 3.021 3.015 3.023 . 0 0 "[ . 1]" 1
810 1 14 CYS HA 1 15 ALA HA 3.122 . 6.000 4.566 4.523 4.589 . 0 0 "[ . 1]" 1
811 1 14 CYS HA 1 38 VAL MG2 2.491 . 3.266 3.332 3.255 3.379 0.113 7 0 "[ . 1]" 1
812 1 14 CYS HA 1 38 VAL MG1 2.936 . 6.000 4.942 4.762 5.026 . 0 0 "[ . 1]" 1
813 1 15 ALA MB 1 19 GLY QA 2.954 . 4.044 2.702 2.464 2.940 . 0 0 "[ . 1]" 1
814 1 19 GLY QA 1 44 CYS HB2 3.544 . 5.114 4.325 4.209 4.368 . 0 0 "[ . 1]" 1
815 1 32 ASP HA 1 46 ARG QD 3.464 . 4.964 3.920 3.739 4.444 . 0 0 "[ . 1]" 1
816 1 19 GLY QA 1 46 ARG HG2 3.327 . 4.711 2.014 1.879 2.168 0.064 9 0 "[ . 1]" 1
817 1 32 ASP HA 1 33 TRP HB2 3.534 . 5.095 4.368 4.342 4.433 . 0 0 "[ . 1]" 1
818 1 38 VAL HB 1 39 CYS HA 4.591 . 7.225 4.764 4.713 4.804 . 0 0 "[ . 1]" 1
819 1 23 PRO HA 1 42 TYR HA 2.676 . 3.571 3.464 3.224 3.682 0.111 8 0 "[ . 1]" 1
820 1 21 CYS HB2 1 39 CYS HA 3.848 . 5.699 4.403 4.098 4.856 . 0 0 "[ . 1]" 1
821 1 39 CYS HA 1 39 CYS HB2 2.763 . 3.717 3.013 3.000 3.028 . 0 0 "[ . 1]" 1
822 1 39 CYS HA 1 39 CYS HB3 2.796 . 3.773 2.531 2.461 2.578 . 0 0 "[ . 1]" 1
823 1 42 TYR HA 1 43 ARG HG2 3.321 . 4.699 4.085 3.937 4.390 . 0 0 "[ . 1]" 1
824 1 38 VAL MG2 1 39 CYS HA 3.209 . 4.496 3.018 2.941 3.182 . 0 0 "[ . 1]" 1
825 1 25 CYS HA 1 26 PHE HB2 3.654 . 5.323 4.569 4.442 4.711 . 0 0 "[ . 1]" 1
826 1 47 PRO HA 1 47 PRO HB3 2.387 . 3.099 2.307 2.288 2.317 . 0 0 "[ . 1]" 1
827 1 22 ARG QD 1 25 CYS HA 2.612 . 3.465 2.961 2.567 3.483 0.018 8 0 "[ . 1]" 1
828 1 47 PRO HA 1 47 PRO HG2 3.078 . 4.262 3.938 3.907 3.969 . 0 0 "[ . 1]" 1
829 1 25 CYS HA 1 29 GLU HB2 3.428 . 4.897 3.576 3.311 3.851 . 0 0 "[ . 1]" 1
830 1 47 PRO HA 1 47 PRO HG3 3.130 . 4.355 3.229 2.963 4.008 . 0 0 "[ . 1]" 1
831 1 29 GLU HG3 1 47 PRO HA 3.046 . 4.206 3.500 3.189 3.732 . 0 0 "[ . 1]" 1
832 1 29 GLU HG2 1 47 PRO HA 2.667 . 3.556 2.189 1.966 2.420 . 0 0 "[ . 1]" 1
833 1 29 GLU HB3 1 47 PRO HA 3.277 . 4.619 3.702 3.440 3.882 . 0 0 "[ . 1]" 1
834 1 25 CYS HA 1 45 CYS HB3 3.135 . 4.364 2.688 2.493 2.835 . 0 0 "[ . 1]" 1
835 1 18 ARG HA 1 18 ARG QD 3.289 . 4.641 3.672 3.341 4.110 . 0 0 "[ . 1]" 1
836 1 18 ARG HA 1 18 ARG HB2 2.767 . 3.724 3.017 3.009 3.020 . 0 0 "[ . 1]" 1
837 1 18 ARG HA 1 18 ARG HG2 2.699 . 3.609 3.265 2.699 3.500 . 0 0 "[ . 1]" 1
838 1 15 ALA MB 1 18 ARG HA 3.373 . 4.795 4.093 3.908 4.242 . 0 0 "[ . 1]" 1
839 1 44 CYS HA 1 44 CYS HB2 2.682 . 3.581 2.417 2.374 2.435 . 0 0 "[ . 1]" 1
840 1 44 CYS HA 1 44 CYS HB3 2.749 . 3.693 3.021 3.015 3.026 . 0 0 "[ . 1]" 1
841 1 22 ARG HA 1 23 PRO HD3 2.495 . 3.273 2.232 2.019 2.360 . 0 0 "[ . 1]" 1
842 1 22 ARG HA 1 22 ARG HB2 2.773 . 3.734 3.020 3.014 3.024 . 0 0 "[ . 1]" 1
843 1 22 ARG HA 1 23 PRO HD2 2.551 . 3.364 2.575 2.427 2.987 . 0 0 "[ . 1]" 1
844 1 22 ARG HA 1 22 ARG HB3 2.770 . 3.729 2.469 2.446 2.497 . 0 0 "[ . 1]" 1
845 1 20 TRP HA 1 44 CYS HB2 3.459 . 6.000 5.892 5.729 6.021 0.021 3 0 "[ . 1]" 1
846 1 20 TRP HA 1 20 TRP HB3 2.942 . 4.024 3.015 3.011 3.024 . 0 0 "[ . 1]" 1
847 1 39 CYS HB2 1 43 ARG HA 3.373 . 4.795 3.304 3.163 3.406 . 0 0 "[ . 1]" 1
848 1 43 ARG HA 1 44 CYS HB3 2.945 . 6.000 4.742 4.630 4.815 . 0 0 "[ . 1]" 1
849 1 39 CYS HB3 1 43 ARG HA 3.307 . 4.674 3.909 3.784 4.085 . 0 0 "[ . 1]" 1
850 1 43 ARG HA 1 43 ARG HG3 3.024 . 4.167 3.924 3.897 3.977 . 0 0 "[ . 1]" 1
851 1 11 SER HA 1 21 CYS HB2 3.084 . 6.000 1.986 1.802 2.317 . 0 0 "[ . 1]" 1
852 1 11 SER HA 1 12 HIS HB2 3.341 . 6.000 5.803 5.765 5.847 . 0 0 "[ . 1]" 1
853 1 7 SER HA 1 7 SER QB 2.663 . 3.549 2.353 2.318 2.406 . 0 0 "[ . 1]" 1
854 1 5 ILE MG 1 6 ARG HA 3.673 . 5.360 3.987 3.447 4.408 . 0 0 "[ . 1]" 1
855 1 9 HIS HA 1 9 HIS HB2 2.512 . 3.300 2.731 2.432 3.014 . 0 0 "[ . 1]" 1
856 1 49 ARG HA 1 49 ARG HB2 2.790 . 3.763 2.561 2.423 2.660 . 0 0 "[ . 1]" 1
857 1 37 ASP HA 1 37 ASP HB3 2.303 . 2.966 3.014 3.003 3.020 0.054 5 0 "[ . 1]" 1
858 1 38 VAL HA 1 38 VAL MG2 2.520 . 3.314 3.212 3.201 3.220 . 0 0 "[ . 1]" 1
859 1 38 VAL HA 1 38 VAL MG1 2.182 . 2.777 2.493 2.465 2.519 . 0 0 "[ . 1]" 1
860 1 36 ASN HA 1 36 ASN HB2 2.565 . 3.388 2.700 2.541 2.940 . 0 0 "[ . 1]" 1
861 1 36 ASN HA 1 39 CYS HB2 2.987 . 4.102 2.322 2.169 2.425 . 0 0 "[ . 1]" 1
862 1 36 ASN HA 1 44 CYS HB3 2.717 . 3.640 3.699 3.567 3.795 0.155 8 0 "[ . 1]" 1
863 1 29 GLU HG2 1 48 GLY HA2 3.339 . 6.000 5.868 5.705 6.007 0.007 7 0 "[ . 1]" 1
864 1 31 THR HA 1 44 CYS HB2 3.610 . 6.000 6.009 5.809 6.090 0.090 3 0 "[ . 1]" 1
865 1 5 ILE HA 1 5 ILE MG 2.578 . 3.409 2.441 2.324 2.506 . 0 0 "[ . 1]" 1
866 1 5 ILE HA 1 5 ILE MD 3.187 . 4.456 3.648 2.017 3.886 . 0 0 "[ . 1]" 1
867 1 16 ASN H 1 18 ARG H 3.549 . 5.123 3.962 3.863 4.053 . 0 0 "[ . 1]" 1
868 1 29 GLU H 1 30 TYR H 3.602 . 5.224 4.385 4.347 4.405 . 0 0 "[ . 1]" 1
869 1 35 ASN H 1 37 ASP H 3.475 . 4.984 4.243 4.178 4.323 . 0 0 "[ . 1]" 1
870 1 13 SER H 1 20 TRP HZ2 3.445 . 4.929 4.986 4.960 5.023 0.094 3 0 "[ . 1]" 1
871 1 20 TRP HZ2 1 21 CYS H 3.458 . 6.000 5.517 5.372 5.689 . 0 0 "[ . 1]" 1
872 1 36 ASN H 1 44 CYS H 3.725 . 5.459 3.754 3.637 3.983 . 0 0 "[ . 1]" 1
873 1 36 ASN H 1 36 ASN HD21 3.583 . 5.188 4.715 4.446 5.055 . 0 0 "[ . 1]" 1
874 1 9 HIS H 1 11 SER H 3.561 . 5.146 3.831 3.728 3.937 . 0 0 "[ . 1]" 1
875 1 13 SER H 1 20 TRP HE3 3.524 . 5.076 4.053 3.953 4.190 . 0 0 "[ . 1]" 1
876 1 38 VAL H 1 40 GLY H 3.657 . 5.329 4.412 4.103 5.431 0.102 5 0 "[ . 1]" 1
877 1 9 HIS H 1 9 HIS HD2 3.527 . 5.082 3.990 2.060 5.109 0.027 7 0 "[ . 1]" 1
878 1 13 SER H 1 20 TRP HZ3 3.403 . 4.851 3.202 3.107 3.409 . 0 0 "[ . 1]" 1
879 1 22 ARG HE 1 26 PHE QE 3.553 . 5.131 3.823 3.349 4.659 . 0 0 "[ . 1]" 1
880 1 27 SER H 1 28 HIS HD2 3.581 . 5.184 3.107 2.779 3.514 . 0 0 "[ . 1]" 1
881 1 18 ARG H 1 18 ARG HE 3.567 . 5.158 3.772 3.358 4.009 . 0 0 "[ . 1]" 1
882 1 26 PHE QD 1 28 HIS HE1 3.567 . 5.157 4.461 3.924 4.933 . 0 0 "[ . 1]" 1
883 1 30 TYR QD 1 32 ASP H 3.665 . 5.344 3.802 3.658 3.934 . 0 0 "[ . 1]" 1
884 1 30 TYR QD 1 46 ARG H 3.512 . 5.054 4.179 3.956 4.278 . 0 0 "[ . 1]" 1
885 1 30 TYR QD 1 49 ARG H 3.450 . 4.938 4.905 4.515 5.129 0.191 5 0 "[ . 1]" 1
886 1 10 ASP H 1 42 TYR QE 3.685 . 5.382 3.580 2.474 4.560 . 0 0 "[ . 1]" 1
887 1 12 HIS H 1 13 SER H 3.512 . 5.054 4.367 4.346 4.398 . 0 0 "[ . 1]" 1
888 1 41 SER H 1 42 TYR QD 3.697 . 5.406 4.886 4.634 5.031 . 0 0 "[ . 1]" 1
889 1 30 TYR H 1 30 TYR QE 3.562 . 5.148 4.452 4.322 4.568 . 0 0 "[ . 1]" 1
890 1 30 TYR QE 1 32 ASP H 3.695 . 5.402 4.360 4.261 4.486 . 0 0 "[ . 1]" 1
891 1 30 TYR QE 1 49 ARG H 3.650 . 5.316 4.187 3.561 4.609 . 0 0 "[ . 1]" 1
892 1 24 THR H 1 25 CYS H 3.235 . 4.543 4.180 4.099 4.229 . 0 0 "[ . 1]" 1
893 1 45 CYS H 1 46 ARG H 3.686 . 5.385 3.997 3.899 4.152 . 0 0 "[ . 1]" 1
894 1 44 CYS H 1 45 CYS H 3.336 . 4.727 4.093 3.997 4.148 . 0 0 "[ . 1]" 1
895 1 30 TYR H 1 31 THR H 3.673 . 5.359 4.377 4.351 4.416 . 0 0 "[ . 1]" 1
896 1 31 THR H 1 32 ASP H 3.595 . 5.211 4.284 4.170 4.335 . 0 0 "[ . 1]" 1
897 1 20 TRP H 1 21 CYS H 3.666 . 5.346 4.303 4.248 4.366 . 0 0 "[ . 1]" 1
898 1 32 ASP H 1 44 CYS H 3.679 . 5.371 3.817 3.623 3.971 . 0 0 "[ . 1]" 1
899 1 30 TYR H 1 48 GLY H 3.384 . 4.815 4.435 4.213 4.692 . 0 0 "[ . 1]" 1
900 1 5 ILE H 1 6 ARG H 3.261 . 4.590 4.282 4.129 4.476 . 0 0 "[ . 1]" 1
901 1 13 SER H 1 14 CYS H 3.364 . 4.779 4.562 4.550 4.578 . 0 0 "[ . 1]" 1
902 1 12 HIS H 1 12 HIS HD2 3.237 . 4.547 3.419 3.342 3.512 . 0 0 "[ . 1]" 1
903 1 26 PHE H 1 29 GLU HA 3.788 . 5.582 5.543 5.443 5.606 0.024 6 0 "[ . 1]" 1
904 1 29 GLU HA 1 49 ARG H 3.986 . 5.972 4.934 4.676 5.083 . 0 0 "[ . 1]" 1
905 1 29 GLU HA 1 30 TYR QE 3.788 . 5.582 4.853 4.628 5.011 . 0 0 "[ . 1]" 1
906 1 28 HIS HD2 1 29 GLU HA 4.319 . 6.651 6.024 5.537 6.404 . 0 0 "[ . 1]" 1
907 1 34 PHE H 1 35 ASN HA 3.753 . 5.513 5.231 5.155 5.311 . 0 0 "[ . 1]" 1
908 1 34 PHE QD 1 35 ASN HA 3.738 . 5.485 3.820 3.114 5.712 0.227 2 0 "[ . 1]" 1
909 1 15 ALA H 1 35 ASN HA 4.351 . 6.717 4.920 4.253 5.265 . 0 0 "[ . 1]" 1
910 1 44 CYS H 1 45 CYS HA 4.310 . 6.632 5.157 5.106 5.197 . 0 0 "[ . 1]" 1
911 1 45 CYS HA 1 46 ARG HE 4.740 . 7.548 7.360 6.807 7.505 . 0 0 "[ . 1]" 1
912 1 30 TYR HA 1 48 GLY H 4.601 . 7.247 6.476 6.277 6.631 . 0 0 "[ . 1]" 1
913 1 29 GLU H 1 30 TYR HA 4.254 . 6.516 4.772 4.707 4.826 . 0 0 "[ . 1]" 1
914 1 30 TYR H 1 46 ARG HA 4.285 . 6.580 4.515 4.429 4.613 . 0 0 "[ . 1]" 1
915 1 45 CYS H 1 46 ARG HA 4.511 . 7.055 5.041 5.007 5.096 . 0 0 "[ . 1]" 1
916 1 19 GLY H 1 46 ARG HA 4.270 . 6.549 4.231 4.081 4.358 . 0 0 "[ . 1]" 1
917 1 30 TYR QE 1 46 ARG HA 3.882 . 5.766 5.001 4.940 5.038 . 0 0 "[ . 1]" 1
918 1 30 TYR QD 1 46 ARG HA 4.361 . 6.738 5.477 5.436 5.534 . 0 0 "[ . 1]" 1
919 1 25 CYS H 1 26 PHE HA 3.799 . 5.603 5.356 5.287 5.516 . 0 0 "[ . 1]" 1
920 1 26 PHE HA 1 26 PHE HZ 3.742 . 6.000 5.947 5.896 6.021 0.021 10 0 "[ . 1]" 1
921 1 28 HIS HA 1 30 TYR H 4.857 . 7.806 6.640 6.538 6.700 . 0 0 "[ . 1]" 1
922 1 14 CYS HA 1 21 CYS H 4.667 . 7.390 6.282 6.008 6.479 . 0 0 "[ . 1]" 1
923 1 28 HIS HA 1 48 GLY H 4.315 . 6.643 4.196 3.884 4.415 . 0 0 "[ . 1]" 1
924 1 18 ARG H 1 19 GLY QA 3.881 . 5.588 4.468 4.409 4.498 . 0 0 "[ . 1]" 1
925 1 32 ASP HA 1 46 ARG H 4.449 . 6.923 5.426 5.321 5.572 . 0 0 "[ . 1]" 1
926 1 32 ASP HA 1 35 ASN H 4.106 . 6.214 4.818 4.690 4.959 . 0 0 "[ . 1]" 1
927 1 32 ASP HA 1 33 TRP HE1 4.414 . 6.850 5.697 5.537 5.837 . 0 0 "[ . 1]" 1
928 1 24 THR H 1 42 TYR HA 4.808 . 7.698 6.395 6.142 6.908 . 0 0 "[ . 1]" 1
929 1 38 VAL H 1 39 CYS HA 4.074 . 6.149 5.158 5.126 5.187 . 0 0 "[ . 1]" 1
930 1 12 HIS H 1 39 CYS HA 3.976 . 5.952 4.962 4.739 5.267 . 0 0 "[ . 1]" 1
931 1 7 SER H 1 8 ASP HA 4.052 . 6.105 5.003 4.779 5.234 . 0 0 "[ . 1]" 1
932 1 8 ASP HA 1 11 SER H 3.751 . 5.510 4.413 4.139 4.701 . 0 0 "[ . 1]" 1
933 1 47 PRO HA 1 49 ARG H 3.880 . 5.762 3.743 3.518 4.049 . 0 0 "[ . 1]" 1
934 1 30 TYR QE 1 47 PRO HA 4.028 . 6.056 5.161 4.730 5.310 . 0 0 "[ . 1]" 1
935 1 18 ARG HA 1 46 ARG HE 3.865 . 5.732 4.231 3.937 5.587 . 0 0 "[ . 1]" 1
936 1 17 ASN H 1 18 ARG HA 3.984 . 5.968 5.379 5.240 5.451 . 0 0 "[ . 1]" 1
937 1 20 TRP HE1 1 22 ARG HA 4.449 . 6.923 4.370 4.143 4.593 . 0 0 "[ . 1]" 1
938 1 20 TRP HA 1 20 TRP HE3 4.379 . 6.776 3.021 2.944 3.115 . 0 0 "[ . 1]" 1
939 1 22 ARG H 1 43 ARG HA 3.842 . 5.687 4.947 4.805 5.170 . 0 0 "[ . 1]" 1
940 1 43 ARG HA 1 43 ARG HE 3.930 . 5.860 4.495 4.355 4.632 . 0 0 "[ . 1]" 1
941 1 11 SER HA 1 13 SER H 4.255 . 6.518 6.297 6.266 6.331 . 0 0 "[ . 1]" 1
942 1 40 GLY H 1 41 SER HA 4.384 . 6.787 5.586 5.377 5.846 . 0 0 "[ . 1]" 1
943 1 11 SER HA 1 21 CYS H 3.826 . 5.656 3.973 3.867 4.154 . 0 0 "[ . 1]" 1
944 1 34 PHE HA 1 35 ASN HD21 4.549 . 7.135 5.464 5.115 5.905 . 0 0 "[ . 1]" 1
945 1 34 PHE HA 1 37 ASP H 4.695 . 7.451 3.883 3.695 4.019 . 0 0 "[ . 1]" 1
946 1 34 PHE HA 1 35 ASN HD22 4.800 . 7.680 6.140 5.727 6.365 . 0 0 "[ . 1]" 1
947 1 11 SER HB3 1 20 TRP HD1 3.964 . 5.928 5.892 4.933 6.075 0.147 2 0 "[ . 1]" 1
948 1 36 ASN H 1 37 ASP HA 4.192 . 6.389 5.192 5.029 5.282 . 0 0 "[ . 1]" 1
949 1 35 ASN H 1 36 ASN HA 3.810 . 5.624 5.041 5.003 5.088 . 0 0 "[ . 1]" 1
950 1 2 TYR QD 1 3 GLN HA 4.424 . 6.870 4.596 4.152 4.935 . 0 0 "[ . 1]" 1
951 1 16 ASN HA 1 16 ASN HD21 3.824 . 5.652 3.429 1.869 4.386 0.127 3 0 "[ . 1]" 1
952 1 31 THR HA 1 45 CYS H 3.920 . 5.841 4.665 4.451 4.753 . 0 0 "[ . 1]" 1
953 1 12 HIS HA 1 42 TYR QD 4.520 . 7.074 6.513 6.272 6.798 . 0 0 "[ . 1]" 1
954 1 31 THR HA 1 33 TRP HE1 4.463 . 6.952 5.777 5.664 5.888 . 0 0 "[ . 1]" 1
955 1 26 PHE QD 1 27 SER HA 4.169 . 6.341 5.909 5.827 6.044 . 0 0 "[ . 1]" 1
956 1 27 SER HA 1 28 HIS HD2 4.199 . 6.403 4.809 4.393 5.423 . 0 0 "[ . 1]" 1
957 1 33 TRP HA 1 33 TRP HE1 4.259 . 6.527 5.239 5.210 5.283 . 0 0 "[ . 1]" 1
958 1 33 TRP HA 1 44 CYS H 4.356 . 6.728 4.379 4.267 4.436 . 0 0 "[ . 1]" 1
959 1 33 TRP HA 1 37 ASP H 4.233 . 6.473 4.336 4.230 4.450 . 0 0 "[ . 1]" 1
960 1 30 TYR QE 1 47 PRO HD3 4.258 . 6.525 6.043 5.608 6.168 . 0 0 "[ . 1]" 1
961 1 20 TRP H 1 47 PRO HD3 4.075 . 6.151 3.582 3.373 3.871 . 0 0 "[ . 1]" 1
962 1 46 ARG H 1 47 PRO HD3 3.790 . 5.586 4.699 4.601 5.014 . 0 0 "[ . 1]" 1
963 1 1 SER HA 1 2 TYR H 3.997 . 5.994 2.357 2.173 2.597 . 0 0 "[ . 1]" 1
964 1 45 CYS H 1 47 PRO HD3 4.269 . 6.548 6.101 5.900 6.599 0.051 9 0 "[ . 1]" 1
965 1 1 SER HA 1 6 ARG HE 4.294 . 6.599 6.697 6.649 6.736 0.137 7 0 "[ . 1]" 1
966 1 13 SER HB2 1 18 ARG H 3.930 . 5.861 5.161 4.853 5.524 . 0 0 "[ . 1]" 1
967 1 13 SER HB2 1 19 GLY H 3.755 . 5.518 4.238 4.028 4.506 . 0 0 "[ . 1]" 1
968 1 30 TYR H 1 48 GLY HA3 4.399 . 6.818 5.203 4.960 5.436 . 0 0 "[ . 1]" 1
969 1 22 ARG H 1 24 THR HA 4.564 . 7.168 6.441 6.251 6.728 . 0 0 "[ . 1]" 1
970 1 6 ARG HE 1 13 SER HB3 3.994 . 5.988 4.649 3.611 5.373 . 0 0 "[ . 1]" 1
971 1 13 SER HB3 1 21 CYS H 4.405 . 6.831 5.606 5.463 5.828 . 0 0 "[ . 1]" 1
972 1 13 SER HB3 1 18 ARG H 4.760 . 7.592 6.550 6.162 6.866 . 0 0 "[ . 1]" 1
973 1 13 SER HB3 1 20 TRP HE3 3.885 . 5.771 2.397 2.126 2.817 . 0 0 "[ . 1]" 1
974 1 8 ASP H 1 11 SER HB2 4.079 . 6.159 2.920 2.151 3.304 . 0 0 "[ . 1]" 1
975 1 10 ASP H 1 11 SER HB2 3.742 . 5.493 4.251 3.783 5.381 . 0 0 "[ . 1]" 1
976 1 11 SER HB2 1 21 CYS H 4.695 . 7.451 6.216 5.988 6.482 . 0 0 "[ . 1]" 1
977 1 19 GLY H 1 47 PRO HD2 3.922 . 5.845 3.782 3.622 3.925 . 0 0 "[ . 1]" 1
978 1 30 TYR H 1 47 PRO HD2 4.623 . 7.294 5.843 5.646 6.026 . 0 0 "[ . 1]" 1
979 1 20 TRP H 1 47 PRO HD2 4.124 . 6.250 4.627 4.294 4.882 . 0 0 "[ . 1]" 1
980 1 46 ARG H 1 47 PRO HD2 3.929 . 5.859 4.978 4.738 5.096 . 0 0 "[ . 1]" 1
981 1 15 ALA HA 1 16 ASN HD22 4.554 . 7.147 5.009 4.328 6.145 . 0 0 "[ . 1]" 1
982 1 15 ALA HA 1 18 ARG HE 4.071 . 6.143 4.678 4.193 5.594 . 0 0 "[ . 1]" 1
983 1 30 TYR QD 1 47 PRO HD2 4.341 . 6.696 6.089 5.687 6.250 . 0 0 "[ . 1]" 1
984 1 22 ARG H 1 23 PRO HA 4.161 . 6.325 5.102 4.993 5.224 . 0 0 "[ . 1]" 1
985 1 7 SER QB 1 10 ASP H 4.388 . 6.794 6.292 5.713 6.556 . 0 0 "[ . 1]" 1
986 1 23 PRO HA 1 42 TYR H 4.246 . 6.499 6.324 6.012 6.559 0.060 8 0 "[ . 1]" 1
987 1 23 PRO HA 1 43 ARG HE 4.360 . 6.736 3.056 2.723 3.532 . 0 0 "[ . 1]" 1
988 1 14 CYS HB3 1 21 CYS H 4.016 . 6.032 4.814 4.390 5.044 . 0 0 "[ . 1]" 1
989 1 14 CYS HB3 1 38 VAL H 4.089 . 6.179 5.755 5.681 5.849 . 0 0 "[ . 1]" 1
990 1 31 THR HB 1 33 TRP H 3.756 . 5.519 5.459 5.278 5.594 0.075 6 0 "[ . 1]" 1
991 1 30 TYR H 1 31 THR HB 4.754 . 7.579 6.640 6.596 6.703 . 0 0 "[ . 1]" 1
992 1 22 ARG HE 1 26 PHE HB3 4.132 . 6.267 6.155 5.914 6.328 0.061 3 0 "[ . 1]" 1
993 1 22 ARG H 1 23 PRO HD2 3.921 . 5.842 4.963 4.874 5.205 . 0 0 "[ . 1]" 1
994 1 20 TRP HD1 1 23 PRO HD2 3.919 . 5.839 5.323 4.956 5.731 . 0 0 "[ . 1]" 1
995 1 19 GLY QA 1 46 ARG H 4.257 . 6.522 3.771 3.621 3.887 . 0 0 "[ . 1]" 1
996 1 19 GLY QA 1 45 CYS H 3.789 . 5.583 4.533 4.398 4.645 . 0 0 "[ . 1]" 1
997 1 19 GLY QA 1 21 CYS H 4.483 . 6.995 5.276 5.176 5.341 . 0 0 "[ . 1]" 1
998 1 19 GLY QA 1 46 ARG HE 3.867 . 5.736 3.642 3.504 4.355 . 0 0 "[ . 1]" 1
999 1 17 ASN HD22 1 19 GLY QA 4.616 . 7.279 6.488 6.428 6.565 . 0 0 "[ . 1]" 1
1000 1 12 HIS HB3 1 20 TRP HZ3 4.051 . 6.102 6.178 6.151 6.233 0.131 8 0 "[ . 1]" 1
1001 1 12 HIS HB3 1 20 TRP HE1 4.735 . 7.538 6.665 6.571 6.779 . 0 0 "[ . 1]" 1
1002 1 11 SER H 1 12 HIS HB3 4.566 . 7.172 5.035 4.969 5.084 . 0 0 "[ . 1]" 1
1003 1 12 HIS HB3 1 20 TRP HH2 4.362 . 6.741 5.307 5.267 5.348 . 0 0 "[ . 1]" 1
1004 1 9 HIS HB3 1 11 SER H 4.294 . 6.599 5.129 4.592 5.655 . 0 0 "[ . 1]" 1
1005 1 12 HIS H 1 42 TYR HB2 4.728 . 7.522 5.004 4.895 5.162 . 0 0 "[ . 1]" 1
1006 1 2 TYR QE 1 18 ARG QD 4.453 . 6.932 6.444 6.002 6.669 . 0 0 "[ . 1]" 1
1007 1 30 TYR HB2 1 33 TRP HE1 4.809 . 7.700 7.114 6.959 7.336 . 0 0 "[ . 1]" 1
1008 1 30 TYR HB2 1 46 ARG H 4.333 . 6.680 5.394 5.102 5.543 . 0 0 "[ . 1]" 1
1009 1 21 CYS HB2 1 45 CYS H 4.307 . 6.626 6.051 5.852 6.223 . 0 0 "[ . 1]" 1
1010 1 21 CYS HB2 1 42 TYR H 4.143 . 6.289 5.672 5.559 5.771 . 0 0 "[ . 1]" 1
1011 1 11 SER H 1 21 CYS HB2 4.224 . 6.454 4.481 4.427 4.563 . 0 0 "[ . 1]" 1
1012 1 20 TRP HD1 1 21 CYS HB2 3.796 . 5.597 4.559 4.324 4.733 . 0 0 "[ . 1]" 1
1013 1 15 ALA H 1 16 ASN HB3 4.816 . 7.715 6.686 6.616 6.745 . 0 0 "[ . 1]" 1
1014 1 12 HIS HB2 1 14 CYS H 4.247 . 6.501 5.885 5.708 6.021 . 0 0 "[ . 1]" 1
1015 1 12 HIS HB2 1 20 TRP HZ3 3.935 . 5.871 5.208 5.147 5.307 . 0 0 "[ . 1]" 1
1016 1 12 HIS HB2 1 20 TRP HH2 4.172 . 6.347 5.013 4.930 5.120 . 0 0 "[ . 1]" 1
1017 1 15 ALA H 1 44 CYS HB2 4.311 . 6.634 6.008 5.553 6.322 . 0 0 "[ . 1]" 1
1018 1 41 SER H 1 42 TYR HB3 3.988 . 5.976 5.654 5.270 5.854 . 0 0 "[ . 1]" 1
1019 1 36 ASN HB3 1 38 VAL H 4.062 . 6.125 5.218 5.102 5.332 . 0 0 "[ . 1]" 1
1020 1 35 ASN HD22 1 44 CYS HB2 4.622 . 7.293 5.992 5.889 6.167 . 0 0 "[ . 1]" 1
1021 1 12 HIS H 1 42 TYR HB3 4.524 . 7.082 5.513 5.340 5.771 . 0 0 "[ . 1]" 1
1022 1 24 THR H 1 43 ARG HD2 3.889 . 5.779 4.402 4.116 4.955 . 0 0 "[ . 1]" 1
1023 1 33 TRP HZ2 1 43 ARG HD3 3.868 . 5.738 5.037 4.868 5.192 . 0 0 "[ . 1]" 1
1024 1 33 TRP HB2 1 34 PHE QD 4.040 . 6.080 5.904 4.158 6.127 0.047 8 0 "[ . 1]" 1
1025 1 35 ASN HD21 1 46 ARG QD 4.209 . 6.423 3.751 3.074 5.167 . 0 0 "[ . 1]" 1
1026 1 8 ASP QB 1 10 ASP H 3.854 . 5.710 2.815 2.551 3.619 . 0 0 "[ . 1]" 1
1027 1 35 ASN HD21 1 44 CYS HB3 4.354 . 6.724 4.813 4.306 5.856 . 0 0 "[ . 1]" 1
1028 1 35 ASN H 1 44 CYS HB3 3.953 . 5.906 3.745 3.665 3.874 . 0 0 "[ . 1]" 1
1029 1 24 THR H 1 45 CYS HB2 4.630 . 7.309 5.910 5.450 6.530 . 0 0 "[ . 1]" 1
1030 1 26 PHE H 1 45 CYS HB2 3.788 . 5.582 4.602 4.288 4.797 . 0 0 "[ . 1]" 1
1031 1 12 HIS HD2 1 21 CYS HB3 3.948 . 5.897 4.855 4.678 5.182 . 0 0 "[ . 1]" 1
1032 1 14 CYS HB2 1 35 ASN HD21 4.127 . 6.256 4.217 3.747 4.519 . 0 0 "[ . 1]" 1
1033 1 14 CYS HB2 1 35 ASN HD22 4.387 . 6.793 4.456 3.999 4.996 . 0 0 "[ . 1]" 1
1034 1 25 CYS H 1 45 CYS HB3 4.375 . 6.767 5.055 4.833 5.228 . 0 0 "[ . 1]" 1
1035 1 29 GLU H 1 45 CYS HB3 4.505 . 7.042 5.696 5.493 5.963 . 0 0 "[ . 1]" 1
1036 1 28 HIS HD2 1 45 CYS HB3 4.744 . 7.558 7.293 7.009 7.589 0.031 3 0 "[ . 1]" 1
1037 1 30 TYR QD 1 45 CYS HB3 4.799 . 7.678 6.501 6.362 6.640 . 0 0 "[ . 1]" 1
1038 1 8 ASP QB 1 42 TYR QE 4.100 . 6.202 2.599 1.870 4.076 0.128 2 0 "[ . 1]" 1
1039 1 7 SER H 1 8 ASP QB 4.312 . 6.636 4.790 4.396 5.163 . 0 0 "[ . 1]" 1
1040 1 15 ALA H 1 16 ASN HB2 4.489 . 7.008 5.600 5.462 5.701 . 0 0 "[ . 1]" 1
1041 1 16 ASN HB2 1 18 ARG H 3.814 . 5.632 3.899 3.811 4.091 . 0 0 "[ . 1]" 1
1042 1 22 ARG H 1 39 CYS HB3 4.413 . 6.848 4.951 4.684 5.198 . 0 0 "[ . 1]" 1
1043 1 39 CYS HB3 1 43 ARG H 3.824 . 5.652 4.046 3.882 4.212 . 0 0 "[ . 1]" 1
1044 1 21 CYS H 1 39 CYS HB3 4.762 . 7.596 5.251 5.095 5.351 . 0 0 "[ . 1]" 1
1045 1 36 ASN H 1 39 CYS HB3 4.360 . 6.737 6.473 6.347 6.671 . 0 0 "[ . 1]" 1
1046 1 38 VAL H 1 39 CYS HB3 3.846 . 6.000 6.024 6.003 6.048 0.048 8 0 "[ . 1]" 1
1047 1 39 CYS HB3 1 42 TYR QE 4.489 . 7.007 6.309 6.075 6.449 . 0 0 "[ . 1]" 1
1048 1 39 CYS HB3 1 42 TYR QD 3.948 . 5.896 4.184 3.873 4.356 . 0 0 "[ . 1]" 1
1049 1 26 PHE HB2 1 28 HIS H 3.804 . 5.613 3.240 2.608 3.456 . 0 0 "[ . 1]" 1
1050 1 22 ARG HE 1 26 PHE HB2 4.040 . 6.080 4.755 4.398 5.062 . 0 0 "[ . 1]" 1
1051 1 32 ASP HB3 1 35 ASN HD21 3.834 . 5.672 4.115 3.479 5.405 . 0 0 "[ . 1]" 1
1052 1 25 CYS HB2 1 30 TYR H 3.890 . 5.782 5.434 4.939 5.792 0.010 4 0 "[ . 1]" 1
1053 1 32 ASP HB3 1 46 ARG H 3.904 . 5.810 4.373 4.109 4.641 . 0 0 "[ . 1]" 1
1054 1 32 ASP HB3 1 34 PHE H 4.076 . 6.153 4.088 3.520 4.345 . 0 0 "[ . 1]" 1
1055 1 32 ASP HB3 1 35 ASN H 3.833 . 5.670 3.278 2.931 3.479 . 0 0 "[ . 1]" 1
1056 1 32 ASP HB3 1 46 ARG HE 3.936 . 5.872 5.268 4.684 5.388 . 0 0 "[ . 1]" 1
1057 1 15 ALA H 1 38 VAL HB 4.365 . 6.747 5.909 5.788 6.169 . 0 0 "[ . 1]" 1
1058 1 10 ASP HB3 1 12 HIS H 4.536 . 7.107 5.135 4.747 5.418 . 0 0 "[ . 1]" 1
1059 1 20 TRP H 1 47 PRO HG2 4.161 . 6.325 6.139 5.860 6.752 0.427 9 0 "[ . 1]" 1
1060 1 35 ASN HB2 1 44 CYS H 4.448 . 6.921 4.705 4.439 4.890 . 0 0 "[ . 1]" 1
1061 1 35 ASN HB2 1 37 ASP H 3.976 . 5.952 5.310 5.237 5.372 . 0 0 "[ . 1]" 1
1062 1 28 HIS HE1 1 47 PRO HG2 4.522 . 7.078 6.382 5.566 7.189 0.111 9 0 "[ . 1]" 1
1063 1 34 PHE QD 1 35 ASN HB2 4.261 . 6.530 4.614 4.140 5.295 . 0 0 "[ . 1]" 1
1064 1 46 ARG HE 1 47 PRO HG2 4.334 . 6.681 5.896 4.970 6.235 . 0 0 "[ . 1]" 1
1065 1 30 TYR QE 1 47 PRO HG2 4.646 . 7.344 6.276 4.903 6.657 . 0 0 "[ . 1]" 1
1066 1 22 ARG HE 1 29 GLU HB2 4.146 . 6.294 4.912 4.548 5.358 . 0 0 "[ . 1]" 1
1067 1 17 ASN H 1 18 ARG HB3 4.336 . 6.686 6.476 6.348 6.567 . 0 0 "[ . 1]" 1
1068 1 47 PRO HB2 1 49 ARG H 4.274 . 6.557 2.727 2.478 2.870 . 0 0 "[ . 1]" 1
1069 1 22 ARG HE 1 29 GLU HG3 4.344 . 6.702 5.052 4.516 5.975 . 0 0 "[ . 1]" 1
1070 1 28 HIS H 1 29 GLU HG3 4.752 . 7.575 3.120 2.817 3.673 . 0 0 "[ . 1]" 1
1071 1 32 ASP HB2 1 46 ARG H 3.896 . 5.794 3.801 3.660 4.340 . 0 0 "[ . 1]" 1
1072 1 32 ASP HB2 1 34 PHE QD 4.639 . 7.329 6.347 4.608 6.871 . 0 0 "[ . 1]" 1
1073 1 32 ASP HB2 1 35 ASN HD21 4.100 . 6.202 4.896 4.190 6.410 0.208 5 0 "[ . 1]" 1
1074 1 32 ASP HB2 1 35 ASN H 4.078 . 6.157 4.523 4.389 4.613 . 0 0 "[ . 1]" 1
1075 1 32 ASP HB2 1 46 ARG HE 3.870 . 5.742 4.365 3.300 4.551 . 0 0 "[ . 1]" 1
1076 1 23 PRO HG2 1 42 TYR QD 3.754 . 5.516 5.311 4.955 5.571 0.055 4 0 "[ . 1]" 1
1077 1 15 ALA H 1 18 ARG HB2 4.636 . 7.322 5.597 5.222 5.730 . 0 0 "[ . 1]" 1
1078 1 17 ASN H 1 18 ARG HB2 3.935 . 5.871 5.156 5.027 5.345 . 0 0 "[ . 1]" 1
1079 1 3 GLN HB2 1 4 ARG H 3.983 . 5.966 4.502 3.997 4.622 . 0 0 "[ . 1]" 1
1080 1 17 ASN H 1 18 ARG HG3 3.909 . 5.819 5.642 4.600 5.987 0.168 6 0 "[ . 1]" 1
1081 1 29 GLU HG2 1 46 ARG H 4.343 . 6.701 5.372 5.096 5.664 . 0 0 "[ . 1]" 1
1082 1 28 HIS HD2 1 29 GLU HG2 3.872 . 5.747 5.081 4.582 5.639 . 0 0 "[ . 1]" 1
1083 1 26 PHE QD 1 29 GLU HG2 4.020 . 6.040 4.675 3.991 5.579 . 0 0 "[ . 1]" 1
1084 1 4 ARG HE 1 6 ARG QB 4.474 . 6.976 5.430 4.819 6.457 . 0 0 "[ . 1]" 1
1085 1 6 ARG QB 1 8 ASP H 3.871 . 5.102 4.151 3.923 4.609 . 0 0 "[ . 1]" 1
1086 1 30 TYR H 1 46 ARG HB3 4.206 . 6.417 4.735 4.606 4.929 . 0 0 "[ . 1]" 1
1087 1 6 ARG HE 1 6 ARG HG2 3.873 . 5.748 3.115 2.472 3.623 . 0 0 "[ . 1]" 1
1088 1 3 GLN H 1 4 ARG HG2 4.581 . 7.204 6.480 5.223 7.408 0.204 2 0 "[ . 1]" 1
1089 1 6 ARG HE 1 6 ARG HG3 3.889 . 5.779 3.432 2.749 4.085 . 0 0 "[ . 1]" 1
1090 1 22 ARG HE 1 29 GLU HB3 4.314 . 6.641 4.970 4.350 6.083 . 0 0 "[ . 1]" 1
1091 1 29 GLU HB3 1 45 CYS H 4.318 . 6.648 5.450 5.264 5.585 . 0 0 "[ . 1]" 1
1092 1 25 CYS H 1 43 ARG HG3 3.991 . 5.982 4.622 4.266 4.874 . 0 0 "[ . 1]" 1
1093 1 31 THR H 1 43 ARG HG3 4.327 . 6.668 5.997 5.776 6.283 . 0 0 "[ . 1]" 1
1094 1 33 TRP HH2 1 43 ARG HG3 4.352 . 6.720 6.801 6.679 6.848 0.128 1 0 "[ . 1]" 1
1095 1 33 TRP HZ3 1 43 ARG HG3 4.820 . 7.725 7.415 7.361 7.457 . 0 0 "[ . 1]" 1
1096 1 42 TYR QD 1 43 ARG HG3 4.632 . 7.314 6.209 5.879 6.527 . 0 0 "[ . 1]" 1
1097 1 36 ASN HD21 1 43 ARG HG3 4.351 . 6.717 5.359 4.799 6.167 . 0 0 "[ . 1]" 1
1098 1 22 ARG HB3 1 26 PHE H 4.009 . 6.018 5.570 5.382 5.794 . 0 0 "[ . 1]" 1
1099 1 22 ARG HB3 1 26 PHE QE 4.268 . 6.544 4.576 3.489 5.372 . 0 0 "[ . 1]" 1
1100 1 30 TYR H 1 46 ARG HG3 4.667 . 7.390 4.974 4.856 5.081 . 0 0 "[ . 1]" 1
1101 1 19 GLY H 1 46 ARG HG3 4.014 . 6.028 5.928 5.691 6.171 0.143 9 0 "[ . 1]" 1
1102 1 35 ASN HD22 1 46 ARG HG3 4.356 . 6.728 6.163 5.705 6.678 . 0 0 "[ . 1]" 1
1103 1 30 TYR QD 1 46 ARG HG3 3.758 . 5.524 4.461 3.838 4.590 . 0 0 "[ . 1]" 1
1104 1 30 TYR QD 1 46 ARG HG2 4.097 . 6.195 5.664 5.289 5.756 . 0 0 "[ . 1]" 1
1105 1 15 ALA MB 1 35 ASN H 3.904 . 5.810 4.714 4.508 4.813 . 0 0 "[ . 1]" 1
1106 1 15 ALA MB 1 36 ASN H 4.253 . 6.514 6.382 6.120 6.571 0.057 8 0 "[ . 1]" 1
1107 1 15 ALA MB 1 34 PHE QE 4.635 . 7.320 5.722 5.221 7.379 0.059 2 0 "[ . 1]" 1
1108 1 15 ALA MB 1 16 ASN HD22 4.498 . 7.027 5.936 5.348 6.775 . 0 0 "[ . 1]" 1
1109 1 15 ALA MB 1 34 PHE QD 4.151 . 6.305 4.621 4.290 5.958 . 0 0 "[ . 1]" 1
1110 1 15 ALA MB 1 16 ASN HD21 4.364 . 6.744 4.890 4.097 6.671 . 0 0 "[ . 1]" 1
1111 1 20 TRP HE1 1 22 ARG HB2 3.903 . 6.000 6.179 6.150 6.207 0.207 2 0 "[ . 1]" 1
1112 1 20 TRP H 1 22 ARG HB2 4.276 . 6.561 6.018 5.746 6.207 . 0 0 "[ . 1]" 1
1113 1 21 CYS H 1 22 ARG HB2 4.522 . 7.078 6.065 5.985 6.133 . 0 0 "[ . 1]" 1
1114 1 22 ARG HB2 1 26 PHE QE 4.026 . 6.052 5.346 4.602 5.807 . 0 0 "[ . 1]" 1
1115 1 22 ARG HB2 1 26 PHE HZ 4.396 . 6.812 6.737 6.449 6.928 0.116 1 0 "[ . 1]" 1
1116 1 22 ARG HB2 1 42 TYR QE 4.122 . 6.246 6.278 6.184 6.337 0.091 8 0 "[ . 1]" 1
1117 1 22 ARG HB2 1 42 TYR QD 4.039 . 6.079 5.467 5.223 5.598 . 0 0 "[ . 1]" 1
1118 1 24 THR MG 1 26 PHE H 4.143 . 6.289 5.244 4.859 6.412 0.123 7 0 "[ . 1]" 1
1119 1 24 THR MG 1 26 PHE QE 4.140 . 6.282 4.380 3.368 5.747 . 0 0 "[ . 1]" 1
1120 1 24 THR MG 1 26 PHE QD 4.173 . 6.350 4.736 3.805 6.061 . 0 0 "[ . 1]" 1
1121 1 24 THR MG 1 43 ARG HE 4.106 . 6.213 6.160 5.730 6.278 0.065 9 0 "[ . 1]" 1
1122 1 24 THR MG 1 42 TYR QD 4.834 . 7.755 6.463 6.096 7.376 . 0 0 "[ . 1]" 1
1123 1 38 VAL MG2 1 44 CYS H 4.389 . 6.797 5.513 5.400 5.627 . 0 0 "[ . 1]" 1
1124 1 16 ASN H 1 38 VAL MG2 4.050 . 6.100 5.577 5.277 5.773 . 0 0 "[ . 1]" 1
1125 1 16 ASN HD22 1 38 VAL MG2 4.842 . 7.773 7.821 7.345 7.947 0.174 4 0 "[ . 1]" 1
1126 1 35 ASN HD21 1 38 VAL MG2 4.507 . 7.046 4.559 3.821 4.966 . 0 0 "[ . 1]" 1
1127 1 38 VAL MG2 1 40 GLY H 3.930 . 5.861 4.385 4.270 4.491 . 0 0 "[ . 1]" 1
1128 1 38 VAL MG1 1 40 GLY H 3.873 . 5.748 5.323 5.113 5.712 . 0 0 "[ . 1]" 1
1129 1 35 ASN HD22 1 38 VAL MG1 4.667 . 7.390 4.957 4.470 5.318 . 0 0 "[ . 1]" 1
1130 1 5 ILE MG 1 42 TYR QE 4.431 . 6.885 6.347 5.186 6.926 0.041 10 0 "[ . 1]" 1
1131 1 4 ARG H 1 5 ILE MD 4.785 . 7.647 6.223 5.581 6.609 . 0 0 "[ . 1]" 1
1132 1 22 ARG H 1 31 THR MG 4.721 . 7.507 6.039 5.761 6.240 . 0 0 "[ . 1]" 1
1133 1 31 THR MG 1 46 ARG H 4.240 . 6.488 5.255 5.075 5.407 . 0 0 "[ . 1]" 1
1134 1 25 CYS H 1 31 THR MG 4.297 . 6.605 5.844 5.640 6.134 . 0 0 "[ . 1]" 1
1135 1 31 THR MG 1 43 ARG H 3.819 . 5.643 5.104 4.943 5.181 . 0 0 "[ . 1]" 1
1136 1 31 THR MG 1 34 PHE H 3.975 . 5.950 5.540 5.378 5.651 . 0 0 "[ . 1]" 1
1137 1 30 TYR QD 1 31 THR MG 3.716 . 5.442 5.024 4.956 5.095 . 0 0 "[ . 1]" 1
1138 1 30 TYR QE 1 31 THR MG 4.208 . 6.421 6.121 6.042 6.234 . 0 0 "[ . 1]" 1
1139 1 31 THR MG 1 45 CYS HA 4.370 . 6.757 4.386 4.202 4.512 . 0 0 "[ . 1]" 1
1140 1 36 ASN HA 1 36 ASN HD22 4.172 . 6.348 4.272 4.032 4.369 . 0 0 "[ . 1]" 1
1141 1 14 CYS HB3 1 21 CYS HA 4.557 . 7.152 5.619 5.212 5.771 . 0 0 "[ . 1]" 1
1142 1 33 TRP HB3 1 36 ASN HD22 4.062 . 6.124 5.804 5.672 5.851 . 0 0 "[ . 1]" 1
1143 1 21 CYS HA 1 42 TYR HB2 3.808 . 5.621 3.718 3.308 4.098 . 0 0 "[ . 1]" 1
1144 1 21 CYS HA 1 39 CYS HB3 4.368 . 6.753 3.431 3.149 3.700 . 0 0 "[ . 1]" 1
1145 1 36 ASN HD22 1 43 ARG HG3 4.282 . 6.574 4.579 4.380 4.760 . 0 0 "[ . 1]" 1
1146 1 21 CYS HA 1 22 ARG HB2 3.775 . 5.556 4.689 4.583 4.810 . 0 0 "[ . 1]" 1
1147 1 20 TRP HE1 1 21 CYS H 3.869 . 5.740 4.361 4.222 4.572 . 0 0 "[ . 1]" 1
1148 1 21 CYS H 1 22 ARG H 3.811 . 5.626 4.231 4.097 4.361 . 0 0 "[ . 1]" 1
1149 1 22 ARG H 1 42 TYR H 4.361 . 6.739 6.439 6.352 6.547 . 0 0 "[ . 1]" 1
1150 1 14 CYS H 1 15 ALA H 3.725 . 5.459 4.369 4.353 4.387 . 0 0 "[ . 1]" 1
1151 1 14 CYS H 1 20 TRP H 3.805 . 5.615 4.429 4.385 4.498 . 0 0 "[ . 1]" 1
1152 1 15 ALA H 1 18 ARG H 4.315 . 6.642 5.502 5.388 5.601 . 0 0 "[ . 1]" 1
1153 1 35 ASN HD21 1 36 ASN H 4.307 . 6.626 4.806 4.539 5.393 . 0 0 "[ . 1]" 1
1154 1 34 PHE QD 1 35 ASN HD21 3.764 . 5.535 2.809 2.044 4.281 . 0 0 "[ . 1]" 1
1155 1 15 ALA H 1 38 VAL H 4.578 . 7.198 6.899 6.545 7.037 . 0 0 "[ . 1]" 1
1156 1 20 TRP HD1 1 22 ARG H 4.287 . 6.584 3.924 3.589 4.242 . 0 0 "[ . 1]" 1
1157 1 20 TRP H 1 20 TRP HD1 3.937 . 5.874 5.112 5.032 5.174 . 0 0 "[ . 1]" 1
1158 1 20 TRP HE1 1 42 TYR QE 4.507 . 7.047 5.223 4.562 5.981 . 0 0 "[ . 1]" 1
1159 1 22 ARG H 1 42 TYR QE 4.421 . 6.864 5.667 5.493 5.814 . 0 0 "[ . 1]" 1
1160 1 22 ARG H 1 24 THR H 4.261 . 6.531 4.930 4.740 5.648 . 0 0 "[ . 1]" 1
1161 1 31 THR H 1 33 TRP HE1 3.729 . 5.467 5.410 5.270 5.539 0.072 5 0 "[ . 1]" 1
1162 1 16 ASN H 1 35 ASN HD21 4.561 . 7.162 6.579 5.444 6.984 . 0 0 "[ . 1]" 1
1163 1 15 ALA H 1 17 ASN H 3.922 . 5.845 5.085 4.903 5.214 . 0 0 "[ . 1]" 1
1164 1 15 ALA H 1 19 GLY H 3.994 . 5.988 5.549 5.262 5.760 . 0 0 "[ . 1]" 1
1165 1 34 PHE H 1 35 ASN HD21 3.946 . 5.892 4.831 4.334 5.918 0.026 5 0 "[ . 1]" 1
1166 1 38 VAL H 1 44 CYS H 4.788 . 7.654 6.555 6.470 6.663 . 0 0 "[ . 1]" 1
1167 1 28 HIS H 1 28 HIS HD2 3.983 . 5.966 2.644 2.059 2.958 . 0 0 "[ . 1]" 1
1168 1 5 ILE H 1 20 TRP HH2 4.822 . 7.729 7.808 7.673 7.881 0.152 5 0 "[ . 1]" 1
1169 1 20 TRP HH2 1 21 CYS H 4.554 . 7.147 6.317 6.186 6.433 . 0 0 "[ . 1]" 1
1170 1 22 ARG HE 1 26 PHE HZ 4.123 . 6.248 5.585 4.209 6.285 0.037 2 0 "[ . 1]" 1
1171 1 46 ARG H 1 46 ARG HE 4.028 . 6.056 5.209 4.786 5.317 . 0 0 "[ . 1]" 1
1172 1 49 ARG H 1 49 ARG HE 4.496 . 7.023 4.269 3.985 4.774 . 0 0 "[ . 1]" 1
1173 1 33 TRP HZ3 1 43 ARG H 4.839 . 7.766 7.651 7.423 7.815 0.049 8 0 "[ . 1]" 1
1174 1 2 TYR QD 1 17 ASN H 4.586 . 7.215 5.026 4.149 5.418 . 0 0 "[ . 1]" 1
1175 1 2 TYR QD 1 4 ARG H 4.271 . 6.551 6.115 5.881 6.404 . 0 0 "[ . 1]" 1
1176 1 2 TYR QD 1 3 GLN H 4.023 . 6.046 3.708 3.252 4.176 . 0 0 "[ . 1]" 1
1177 1 25 CYS H 1 26 PHE QD 4.170 . 6.344 6.082 4.838 6.342 . 0 0 "[ . 1]" 1
1178 1 26 PHE QD 1 45 CYS H 4.764 . 7.601 7.450 7.140 7.643 0.042 1 0 "[ . 1]" 1
1179 1 25 CYS H 1 43 ARG HE 4.144 . 6.291 6.018 5.798 6.222 . 0 0 "[ . 1]" 1
1180 1 43 ARG H 1 43 ARG HE 4.115 . 6.232 3.077 2.800 3.372 . 0 0 "[ . 1]" 1
1181 1 20 TRP HD1 1 45 CYS H 4.590 . 7.223 5.041 4.955 5.183 . 0 0 "[ . 1]" 1
1182 1 17 ASN H 1 17 ASN HD21 4.058 . 6.117 4.593 4.533 4.666 . 0 0 "[ . 1]" 1
1183 1 41 SER H 1 42 TYR QE 4.451 . 6.928 6.304 6.058 6.467 . 0 0 "[ . 1]" 1
1184 1 7 SER H 1 42 TYR QE 4.185 . 6.374 6.211 5.759 6.431 0.057 3 0 "[ . 1]" 1
1185 1 42 TYR QE 1 43 ARG H 3.930 . 5.861 5.439 5.300 5.524 . 0 0 "[ . 1]" 1
1186 1 12 HIS H 1 12 HIS HE1 4.231 . 6.469 5.250 4.875 5.426 . 0 0 "[ . 1]" 1
1187 1 10 ASP H 1 42 TYR QD 4.071 . 6.142 4.200 3.190 4.797 . 0 0 "[ . 1]" 1
1188 1 30 TYR QE 1 46 ARG H 3.780 . 5.566 4.516 4.394 4.612 . 0 0 "[ . 1]" 1
1189 1 30 TYR QE 1 48 GLY H 3.831 . 5.666 4.568 3.977 4.788 . 0 0 "[ . 1]" 1
1190 1 30 TYR QE 1 31 THR H 4.036 . 6.072 5.511 5.426 5.707 . 0 0 "[ . 1]" 1
1191 1 30 TYR QE 1 34 PHE H 4.228 . 6.463 6.244 6.102 6.474 0.011 9 0 "[ . 1]" 1
1192 1 29 GLU H 1 48 GLY H 3.823 . 5.649 4.256 4.058 4.426 . 0 0 "[ . 1]" 1
1193 1 22 ARG HE 1 29 GLU H 4.647 . 7.346 7.278 7.159 7.429 0.083 1 0 "[ . 1]" 1
1194 1 35 ASN H 1 44 CYS H 4.532 . 7.100 5.451 5.355 5.614 . 0 0 "[ . 1]" 1
1195 1 33 TRP HE3 1 44 CYS H 4.645 . 7.342 6.033 5.925 6.097 . 0 0 "[ . 1]" 1
1196 1 16 ASN H 1 16 ASN HD22 3.873 . 5.748 4.289 3.746 4.785 . 0 0 "[ . 1]" 1
1197 1 13 SER H 1 20 TRP HE1 4.272 . 6.553 6.384 6.276 6.439 . 0 0 "[ . 1]" 1
1198 1 21 CYS H 1 45 CYS H 4.293 . 6.597 4.756 4.623 4.879 . 0 0 "[ . 1]" 1
1199 1 13 SER H 1 21 CYS H 4.191 . 6.386 4.867 4.824 4.919 . 0 0 "[ . 1]" 1
1200 1 36 ASN HD22 1 43 ARG HE 4.474 . 6.976 4.687 4.454 5.223 . 0 0 "[ . 1]" 1
1201 1 20 TRP HD1 1 21 CYS HA 3.929 . 5.859 4.448 4.347 4.566 . 0 0 "[ . 1]" 1
1202 1 21 CYS HA 1 42 TYR QE 4.004 . 6.008 6.077 6.019 6.122 0.114 3 0 "[ . 1]" 1
1203 1 12 HIS H 1 21 CYS HA 4.101 . 6.204 4.498 4.425 4.608 . 0 0 "[ . 1]" 1
1204 1 42 TYR H 1 42 TYR QE 3.871 . 5.744 5.390 5.171 5.496 . 0 0 "[ . 1]" 1
1205 1 25 CYS HB3 1 29 GLU HA 3.766 . 5.539 4.936 4.629 5.149 . 0 0 "[ . 1]" 1
1206 1 29 GLU HA 1 30 TYR HB2 4.740 . 7.549 5.646 5.618 5.671 . 0 0 "[ . 1]" 1
1207 1 29 GLU HA 1 30 TYR HB3 4.182 . 6.368 4.321 4.268 4.383 . 0 0 "[ . 1]" 1
1208 1 29 GLU HA 1 45 CYS HB3 4.358 . 6.732 5.004 4.810 5.185 . 0 0 "[ . 1]" 1
1209 1 29 GLU HA 1 47 PRO HB3 3.612 . 5.243 4.919 4.788 5.014 . 0 0 "[ . 1]" 1
1210 1 29 GLU HA 1 48 GLY HA2 3.759 . 5.526 3.715 3.550 3.931 . 0 0 "[ . 1]" 1
1211 1 29 GLU HA 1 48 GLY HA3 3.843 . 5.689 3.587 3.445 3.744 . 0 0 "[ . 1]" 1
1212 1 22 ARG H 1 44 CYS H 4.138 . 6.278 5.132 4.994 5.363 . 0 0 "[ . 1]" 1
1213 1 20 TRP H 1 22 ARG H 4.652 . 7.357 5.252 5.030 5.474 . 0 0 "[ . 1]" 1
1214 1 31 THR H 1 46 ARG H 4.487 . 7.004 5.056 4.807 5.188 . 0 0 "[ . 1]" 1
1215 1 16 ASN H 1 19 GLY H 4.367 . 6.751 5.061 4.724 5.384 . 0 0 "[ . 1]" 1
1216 1 36 ASN HD21 1 44 CYS H 3.929 . 5.858 3.848 3.215 4.632 . 0 0 "[ . 1]" 1
1217 1 15 ALA H 1 35 ASN HD22 3.400 . 4.845 3.772 3.390 4.346 . 0 0 "[ . 1]" 1
1218 1 17 ASN H 1 19 GLY H 4.104 . 6.209 3.797 3.563 3.941 . 0 0 "[ . 1]" 1
1219 1 14 CYS H 1 17 ASN H 3.589 . 5.199 3.846 3.671 3.978 . 0 0 "[ . 1]" 1
1220 1 17 ASN H 1 17 ASN HD22 4.133 . 6.268 5.888 5.832 5.955 . 0 0 "[ . 1]" 1
1221 1 33 TRP HH2 1 36 ASN HD21 4.329 . 6.671 4.187 4.047 4.303 . 0 0 "[ . 1]" 1
1222 1 28 HIS HD2 1 29 GLU H 4.308 . 6.627 4.398 3.773 4.708 . 0 0 "[ . 1]" 1
1223 1 35 ASN H 1 35 ASN HD22 3.788 . 5.582 3.651 3.341 3.814 . 0 0 "[ . 1]" 1
1224 1 17 ASN HD21 1 18 ARG H 4.610 . 7.267 2.608 2.516 2.717 . 0 0 "[ . 1]" 1
1225 1 30 TYR QE 1 33 TRP H 3.484 . 6.000 5.335 5.187 5.666 . 0 0 "[ . 1]" 1
1226 1 11 SER H 1 12 HIS H 3.577 . 5.176 4.180 4.005 4.266 . 0 0 "[ . 1]" 1
1227 1 11 SER H 1 42 TYR QE 3.269 . 4.605 2.965 2.432 3.481 . 0 0 "[ . 1]" 1
1228 1 33 TRP HH2 1 36 ASN HD22 3.804 . 5.613 3.578 3.429 3.811 . 0 0 "[ . 1]" 1
1229 1 20 TRP HE1 1 21 CYS HB2 4.025 . 6.050 4.531 4.334 4.772 . 0 0 "[ . 1]" 1
1230 1 20 TRP H 1 46 ARG HG2 3.255 . 4.579 3.928 3.283 4.173 . 0 0 "[ . 1]" 1
1231 1 32 ASP H 1 46 ARG HB2 4.016 . 6.032 4.288 4.045 4.487 . 0 0 "[ . 1]" 1
1232 1 12 HIS HE1 1 38 VAL MG1 2.556 . 6.000 4.323 4.282 4.379 . 0 0 "[ . 1]" 1
1233 1 5 ILE H 1 5 ILE MD 3.954 . 5.908 3.858 3.598 4.104 . 0 0 "[ . 1]" 1
1234 1 16 ASN H 1 38 VAL MG1 4.310 . 6.632 6.385 6.149 6.542 . 0 0 "[ . 1]" 1
1235 1 10 ASP HB2 1 41 SER H 3.603 . 5.226 4.182 2.946 5.135 . 0 0 "[ . 1]" 1
1236 1 22 ARG HB3 1 22 ARG HE 3.383 . 4.814 4.016 2.553 4.746 . 0 0 "[ . 1]" 1
1237 1 4 ARG HG2 1 5 ILE H 3.855 . 5.713 2.944 1.652 4.813 0.345 9 0 "[ . 1]" 1
1238 1 4 ARG H 1 4 ARG HG2 3.379 . 4.806 4.370 3.260 4.830 0.024 5 0 "[ . 1]" 1
1239 1 22 ARG HE 1 29 GLU HG2 4.276 . 6.561 4.906 4.108 6.450 . 0 0 "[ . 1]" 1
1240 1 29 GLU HG3 1 48 GLY H 3.587 . 5.195 4.132 3.898 4.310 . 0 0 "[ . 1]" 1
1241 1 32 ASP HB2 1 44 CYS H 4.330 . 6.674 5.491 5.422 5.665 . 0 0 "[ . 1]" 1
1242 1 12 HIS HE1 1 39 CYS HB3 4.061 . 6.123 5.278 4.844 5.443 . 0 0 "[ . 1]" 1
1243 1 14 CYS HB3 1 37 ASP H 4.854 . 7.799 7.445 7.379 7.538 . 0 0 "[ . 1]" 1
1244 1 13 SER H 1 13 SER HB2 2.721 . 3.646 3.556 3.522 3.584 . 0 0 "[ . 1]" 1
1245 1 13 SER HB3 1 17 ASN H 3.742 . 5.493 4.399 4.059 4.565 . 0 0 "[ . 1]" 1
1246 1 17 ASN HA 1 19 GLY H 2.713 . 3.633 3.485 3.438 3.553 . 0 0 "[ . 1]" 1
1247 1 31 THR H 1 31 THR HA 2.682 . 3.581 2.900 2.888 2.918 . 0 0 "[ . 1]" 1
1248 1 33 TRP HE3 1 34 PHE HA 4.089 . 6.179 6.204 6.134 6.274 0.095 1 0 "[ . 1]" 1
1249 1 13 SER HB2 1 21 CYS H 4.256 . 6.520 6.029 5.953 6.134 . 0 0 "[ . 1]" 1
1250 1 13 SER HB3 1 14 CYS H 2.715 . 6.000 3.801 3.694 3.993 . 0 0 "[ . 1]" 1
1251 1 34 PHE HB3 1 35 ASN H 2.542 . 3.350 2.155 1.983 3.127 . 0 0 "[ . 1]" 1
1252 1 17 ASN HB3 1 18 ARG H 3.442 . 4.923 3.226 3.098 3.395 . 0 0 "[ . 1]" 1
1253 1 25 CYS HB2 1 29 GLU H 3.830 . 5.664 5.436 5.219 5.696 0.032 7 0 "[ . 1]" 1
1254 1 38 VAL MG1 1 39 CYS H 3.095 . 4.293 3.740 3.651 3.792 . 0 0 "[ . 1]" 1
1255 1 26 PHE QD 1 29 GLU HB3 4.430 . 6.883 5.375 5.000 5.713 . 0 0 "[ . 1]" 1
1256 1 29 GLU HB2 1 30 TYR QD 4.149 . 6.300 5.574 5.462 5.642 . 0 0 "[ . 1]" 1
1257 1 2 TYR QE 1 19 GLY QA 4.550 . 7.138 6.549 6.157 6.858 . 0 0 "[ . 1]" 1
1258 1 13 SER HB2 1 20 TRP HH2 3.067 . 6.000 5.977 5.881 6.022 0.022 7 0 "[ . 1]" 1
1259 1 20 TRP HA 1 20 TRP HD1 3.200 . 4.480 4.088 4.036 4.121 . 0 0 "[ . 1]" 1
1260 1 29 GLU HB3 1 30 TYR QE 3.742 . 6.000 5.929 5.841 5.978 . 0 0 "[ . 1]" 1
1261 1 35 ASN HA 1 38 VAL MG1 4.592 . 7.228 2.257 2.073 2.535 . 0 0 "[ . 1]" 1
1262 1 35 ASN HA 1 38 VAL MG2 4.544 . 7.125 2.303 2.147 2.454 . 0 0 "[ . 1]" 1
1263 1 15 ALA MB 1 35 ASN HA 4.244 . 6.495 5.106 4.810 5.278 . 0 0 "[ . 1]" 1
1264 1 29 GLU HB3 1 45 CYS HA 4.251 . 6.510 3.367 3.217 3.468 . 0 0 "[ . 1]" 1
1265 1 44 CYS HA 1 45 CYS HA 4.633 . 7.316 4.419 4.393 4.438 . 0 0 "[ . 1]" 1
1266 1 34 PHE HA 1 35 ASN HA 4.255 . 6.518 4.630 4.599 4.678 . 0 0 "[ . 1]" 1
1267 1 21 CYS HA 1 39 CYS HA 4.582 . 7.207 5.047 4.844 5.409 . 0 0 "[ . 1]" 1
1268 1 15 ALA HA 1 35 ASN HA 4.370 . 6.757 6.071 5.385 6.368 . 0 0 "[ . 1]" 1
1269 1 45 CYS HA 1 46 ARG HB2 4.422 . 6.867 4.593 4.565 4.629 . 0 0 "[ . 1]" 1
1270 1 13 SER HA 1 20 TRP HA 2.076 . 2.615 2.296 2.186 2.508 . 0 0 "[ . 1]" 1
1271 1 36 ASN HA 1 44 CYS HA 3.854 . 5.711 4.336 4.231 4.612 . 0 0 "[ . 1]" 1
1272 1 36 ASN HA 1 43 ARG HA 3.359 . 4.770 2.654 2.553 2.875 . 0 0 "[ . 1]" 1
1273 1 36 ASN HA 1 39 CYS HA 4.052 . 6.105 5.113 5.019 5.244 . 0 0 "[ . 1]" 1
1274 1 38 VAL HA 1 39 CYS HA 3.994 . 5.988 4.740 4.657 4.816 . 0 0 "[ . 1]" 1
1275 1 27 SER HA 1 28 HIS HA 3.155 . 4.399 4.379 4.277 4.604 0.205 1 0 "[ . 1]" 1
1276 1 26 PHE HA 1 27 SER HA 3.075 . 4.257 4.269 4.240 4.299 0.042 1 0 "[ . 1]" 1
1277 1 46 ARG HA 1 47 PRO HD3 2.332 . 3.012 2.144 2.037 2.405 . 0 0 "[ . 1]" 1
1278 1 19 GLY QA 1 47 PRO HD3 3.169 . 4.425 2.951 2.804 3.134 . 0 0 "[ . 1]" 1
1279 1 13 SER HB2 1 14 CYS HA 4.184 . 6.372 4.213 4.151 4.308 . 0 0 "[ . 1]" 1
1280 1 13 SER HB3 1 14 CYS HA 4.176 . 6.356 5.598 5.568 5.640 . 0 0 "[ . 1]" 1
1281 1 47 PRO HA 1 47 PRO HD3 3.952 . 5.904 3.605 3.497 3.709 . 0 0 "[ . 1]" 1
1282 1 47 PRO HA 1 48 GLY HA2 3.878 . 5.758 4.373 4.333 4.414 . 0 0 "[ . 1]" 1
1283 1 13 SER HB2 1 20 TRP HA 3.489 . 5.010 4.618 4.455 4.831 . 0 0 "[ . 1]" 1
1284 1 13 SER HB3 1 20 TRP HA 3.639 . 5.294 4.354 4.141 4.691 . 0 0 "[ . 1]" 1
1285 1 47 PRO HA 1 47 PRO HD2 3.861 . 5.725 3.975 3.940 4.080 . 0 0 "[ . 1]" 1
1286 1 22 ARG HA 1 23 PRO HA 4.304 . 6.619 4.468 4.439 4.489 . 0 0 "[ . 1]" 1
1287 1 39 CYS HA 1 40 GLY QA 3.951 . 5.902 4.211 4.103 4.266 . 0 0 "[ . 1]" 1
1288 1 19 GLY QA 1 46 ARG HA 3.556 . 5.137 1.871 1.798 1.981 0.177 4 0 "[ . 1]" 1
1289 1 25 CYS HA 1 26 PHE HB3 4.438 . 6.900 5.683 5.633 5.745 . 0 0 "[ . 1]" 1
1290 1 14 CYS HB3 1 44 CYS HA 4.233 . 6.473 5.097 4.901 5.217 . 0 0 "[ . 1]" 1
1291 1 20 TRP HA 1 21 CYS HB2 3.983 . 5.966 4.684 4.646 4.731 . 0 0 "[ . 1]" 1
1292 1 11 SER HB3 1 21 CYS HB2 4.374 . 6.766 4.834 4.437 5.136 . 0 0 "[ . 1]" 1
1293 1 8 ASP HA 1 8 ASP QB 3.047 . 4.208 2.399 2.180 2.479 . 0 0 "[ . 1]" 1
1294 1 21 CYS HB3 1 39 CYS HA 3.292 . 4.646 3.564 3.269 3.846 . 0 0 "[ . 1]" 1
1295 1 19 GLY QA 1 47 PRO HG2 4.448 . 6.921 4.865 4.679 5.026 . 0 0 "[ . 1]" 1
1296 1 18 ARG HA 1 18 ARG HG3 2.732 . 3.665 2.425 2.271 2.893 . 0 0 "[ . 1]" 1
1297 1 42 TYR HA 1 43 ARG HG3 4.075 . 6.151 5.722 5.596 5.968 . 0 0 "[ . 1]" 1
1298 1 24 THR MG 1 25 CYS HA 3.938 . 5.877 4.483 4.222 5.554 . 0 0 "[ . 1]" 1
1299 1 38 VAL MG1 1 39 CYS HA 3.734 . 5.477 5.374 5.326 5.424 . 0 0 "[ . 1]" 1
1300 1 19 GLY QA 1 46 ARG HB2 4.665 . 7.386 4.112 3.927 4.203 . 0 0 "[ . 1]" 1
1301 1 31 THR MG 1 32 ASP HA 3.260 . 4.589 3.972 3.899 4.097 . 0 0 "[ . 1]" 1
1302 1 31 THR MG 1 44 CYS HA 4.416 . 6.854 5.157 4.917 5.332 . 0 0 "[ . 1]" 1
1303 1 31 THR MG 1 43 ARG HA 3.181 . 4.446 3.821 3.578 3.921 . 0 0 "[ . 1]" 1
1304 1 31 THR MG 1 36 ASN HA 3.901 . 5.803 4.883 4.703 5.007 . 0 0 "[ . 1]" 1
1305 1 24 THR HA 1 31 THR MG 4.779 . 7.634 6.254 5.844 6.651 . 0 0 "[ . 1]" 1
1306 1 4 ARG HA 1 5 ILE MG 4.590 . 7.223 5.508 5.432 5.572 . 0 0 "[ . 1]" 1
1307 1 36 ASN HA 1 38 VAL MG1 3.831 . 5.665 5.566 5.439 5.651 . 0 0 "[ . 1]" 1
1308 1 15 ALA HA 1 38 VAL MG2 3.924 . 5.848 5.340 5.123 5.687 . 0 0 "[ . 1]" 1
1309 1 14 CYS HB3 1 38 VAL MG1 3.926 . 5.853 4.514 4.339 4.789 . 0 0 "[ . 1]" 1
1310 1 14 CYS HB3 1 38 VAL MG2 3.223 . 4.521 2.329 2.202 2.490 . 0 0 "[ . 1]" 1
1311 1 14 CYS HB3 1 15 ALA MB 6.139 . 10.850 4.820 4.736 4.905 . 0 0 "[ . 1]" 1
1312 1 4 ARG HA 1 5 ILE HG13 4.319 . 6.651 3.870 3.409 5.189 . 0 0 "[ . 1]" 1
1313 1 31 THR HA 1 43 ARG HG3 4.354 . 6.723 3.839 3.651 4.088 . 0 0 "[ . 1]" 1
1314 1 10 ASP HB2 1 11 SER HB2 4.936 . 7.982 4.954 4.322 5.875 . 0 0 "[ . 1]" 1
1315 1 23 PRO HA 1 43 ARG HG3 4.267 . 6.543 5.356 5.155 5.741 . 0 0 "[ . 1]" 1
1316 1 31 THR HB 1 43 ARG HB2 3.916 . 5.833 4.880 4.595 5.013 . 0 0 "[ . 1]" 1
1317 1 6 ARG HA 1 6 ARG HG3 3.381 . 4.810 2.998 2.141 4.224 . 0 0 "[ . 1]" 1
1318 1 23 PRO HB2 1 24 THR HA 3.892 . 5.786 4.714 4.184 4.818 . 0 0 "[ . 1]" 1
1319 1 31 THR HA 1 32 ASP HB2 3.539 . 5.104 4.661 4.536 4.863 . 0 0 "[ . 1]" 1
1320 1 23 PRO HG2 1 24 THR HA 4.127 . 6.256 5.161 4.864 6.064 . 0 0 "[ . 1]" 1
1321 1 26 PHE HB3 1 29 GLU HG3 4.259 . 6.527 4.216 3.700 4.559 . 0 0 "[ . 1]" 1
1322 1 47 PRO HB2 1 47 PRO HD2 3.163 . 4.413 3.242 3.007 4.002 . 0 0 "[ . 1]" 1
1323 1 47 PRO HB2 1 48 GLY HA3 4.333 . 6.680 5.405 5.166 5.521 . 0 0 "[ . 1]" 1
1324 1 14 CYS HB3 1 38 VAL HB 5.080 . 8.305 4.702 4.527 4.899 . 0 0 "[ . 1]" 1
1325 1 15 ALA HA 1 16 ASN HB2 3.915 . 5.831 4.178 4.021 4.385 . 0 0 "[ . 1]" 1
1326 1 10 ASP HB3 1 40 GLY QA 4.119 . 6.240 4.228 3.507 5.034 . 0 0 "[ . 1]" 1
1327 1 12 HIS HB2 1 13 SER HB2 3.743 . 5.494 5.409 5.297 5.500 0.006 10 0 "[ . 1]" 1
1328 1 12 HIS HB2 1 13 SER HB3 3.867 . 5.736 5.002 4.811 5.148 . 0 0 "[ . 1]" 1
1329 1 14 CYS HB3 1 44 CYS HB2 4.576 . 7.193 4.182 3.988 4.339 . 0 0 "[ . 1]" 1
1330 1 35 ASN HB3 1 36 ASN HA 3.844 . 5.691 4.921 4.679 5.646 . 0 0 "[ . 1]" 1
1331 1 13 SER HB2 1 17 ASN HB2 3.865 . 5.732 4.805 4.499 5.196 . 0 0 "[ . 1]" 1
1332 1 14 CYS HB3 1 35 ASN HB3 5.270 . 8.742 3.056 2.740 3.480 . 0 0 "[ . 1]" 1
1333 1 30 TYR HB2 1 31 THR HB 3.878 . 5.758 4.849 4.758 5.009 . 0 0 "[ . 1]" 1
1334 1 23 PRO HD2 1 24 THR HA 4.181 . 6.367 5.281 5.192 5.377 . 0 0 "[ . 1]" 1
1335 1 12 HIS HB3 1 13 SER HB3 4.554 . 7.146 6.400 6.220 6.528 . 0 0 "[ . 1]" 1
1336 1 41 SER HA 1 41 SER HB3 2.750 . 3.695 3.027 3.021 3.040 . 0 0 "[ . 1]" 1
1337 1 11 SER HA 1 11 SER HB3 2.502 . 3.284 2.927 2.235 3.015 . 0 0 "[ . 1]" 1
1338 1 19 GLY QA 1 34 PHE HB3 4.780 . 7.636 7.426 7.288 8.452 0.816 2 1 "[ + . 1]" 1
1339 1 21 CYS HB3 1 42 TYR HB2 2.955 . 4.047 1.997 1.825 2.214 0.038 5 0 "[ . 1]" 1
1340 1 19 GLY QA 1 46 ARG QD 3.901 . 5.804 3.652 2.421 3.947 . 0 0 "[ . 1]" 1
1341 1 19 GLY QA 1 20 TRP HB3 4.601 . 7.247 4.698 4.626 4.768 . 0 0 "[ . 1]" 1
1342 1 39 CYS HB2 1 42 TYR HB2 2.978 . 4.087 3.957 3.754 4.057 . 0 0 "[ . 1]" 1
1343 1 25 CYS HB3 1 45 CYS HB3 3.812 . 5.628 2.864 2.680 2.983 . 0 0 "[ . 1]" 1
1344 1 39 CYS HB3 1 42 TYR HB2 3.512 . 5.054 2.337 2.146 2.458 . 0 0 "[ . 1]" 1
1345 1 35 ASN HB2 1 44 CYS HB2 3.508 . 5.046 2.437 2.120 2.635 . 0 0 "[ . 1]" 1
1346 1 29 GLU HB2 1 45 CYS HB2 3.497 . 5.026 4.582 4.306 4.803 . 0 0 "[ . 1]" 1
1347 1 29 GLU HB2 1 45 CYS HB3 3.685 . 5.382 2.922 2.693 3.123 . 0 0 "[ . 1]" 1
1348 1 35 ASN HB2 1 44 CYS HB3 3.408 . 4.860 2.650 2.342 2.930 . 0 0 "[ . 1]" 1
1349 1 23 PRO HB3 1 23 PRO HD2 3.490 . 5.012 3.921 3.881 3.958 . 0 0 "[ . 1]" 1
1350 1 26 PHE HB3 1 29 GLU HG2 4.797 . 7.673 5.855 5.320 6.189 . 0 0 "[ . 1]" 1
1351 1 16 ASN HB3 1 18 ARG HG3 5.000 . 8.125 5.636 4.551 6.428 . 0 0 "[ . 1]" 1
1352 1 29 GLU HG2 1 45 CYS HB3 4.247 . 6.502 4.108 3.781 4.390 . 0 0 "[ . 1]" 1
1353 1 29 GLU HG2 1 45 CYS HB2 4.108 . 6.218 5.024 4.741 5.268 . 0 0 "[ . 1]" 1
1354 1 29 GLU HB3 1 30 TYR HB3 4.452 . 6.929 5.232 5.173 5.353 . 0 0 "[ . 1]" 1
1355 1 29 GLU HB3 1 45 CYS HB3 3.259 . 4.587 2.579 2.365 2.759 . 0 0 "[ . 1]" 1
1356 1 15 ALA MB 1 16 ASN HB3 4.970 . 8.058 5.465 5.370 5.534 . 0 0 "[ . 1]" 1
1357 1 24 THR MG 1 43 ARG HD2 3.817 . 5.638 5.187 4.540 5.637 . 0 0 "[ . 1]" 1
1358 1 35 ASN HB3 1 38 VAL MG2 4.130 . 6.262 2.390 2.163 2.691 . 0 0 "[ . 1]" 1
1359 1 35 ASN HB3 1 38 VAL MG1 4.233 . 6.473 3.725 3.249 3.941 . 0 0 "[ . 1]" 1
1360 1 37 ASP HB3 1 38 VAL MG1 3.565 . 5.154 3.216 3.137 3.343 . 0 0 "[ . 1]" 1
1361 1 5 ILE MG 1 8 ASP QB 5.650 . 9.641 4.558 4.281 4.923 . 0 0 "[ . 1]" 1
1362 1 31 THR MG 1 32 ASP HB3 4.021 . 6.042 4.760 4.696 4.835 . 0 0 "[ . 1]" 1
1363 1 31 THR MG 1 32 ASP HB2 5.849 . 10.125 5.137 5.055 5.253 . 0 0 "[ . 1]" 1
1364 1 32 ASP HB3 1 46 ARG HB2 4.671 . 7.399 4.733 4.589 4.906 . 0 0 "[ . 1]" 1
1365 1 32 ASP HB2 1 46 ARG HB2 5.179 . 8.532 3.416 3.313 3.582 . 0 0 "[ . 1]" 1
1366 1 5 ILE HB 1 5 ILE MD 3.402 . 4.848 2.518 2.416 3.237 . 0 0 "[ . 1]" 1
1367 1 23 PRO HB3 1 24 THR MG 3.870 . 5.742 4.761 4.462 5.845 0.103 8 0 "[ . 1]" 1
1368 1 38 VAL HB 1 38 VAL MG2 2.411 . 3.138 2.125 2.121 2.129 . 0 0 "[ . 1]" 1
1369 1 15 ALA MB 1 18 ARG HG3 3.739 . 5.486 4.479 3.763 4.696 . 0 0 "[ . 1]" 1
1370 1 32 ASP HB2 1 46 ARG HG2 3.705 . 5.421 3.439 3.364 3.517 . 0 0 "[ . 1]" 1
1371 1 32 ASP HB2 1 46 ARG HG3 3.782 . 5.570 2.033 1.941 2.170 0.053 9 0 "[ . 1]" 1
1372 1 22 ARG HB3 1 23 PRO HG2 3.886 . 5.774 4.143 3.918 4.519 . 0 0 "[ . 1]" 1
1373 1 15 ALA MB 1 16 ASN HB2 4.454 . 6.934 4.231 4.153 4.308 . 0 0 "[ . 1]" 1
1374 1 6 ARG QB 1 6 ARG HG2 2.375 . 3.080 2.258 2.129 2.478 . 0 0 "[ . 1]" 1
1375 1 16 ASN HB2 1 18 ARG HG2 4.596 . 7.237 5.553 5.213 5.757 . 0 0 "[ . 1]" 1
1376 1 16 ASN HB2 1 18 ARG HG3 4.430 . 6.884 5.156 3.823 5.800 . 0 0 "[ . 1]" 1
1377 1 10 ASP HB3 1 39 CYS HB3 4.238 . 6.483 3.960 3.594 4.390 . 0 0 "[ . 1]" 1
1378 1 47 PRO HB2 1 47 PRO HG3 2.379 . 3.087 2.930 2.699 2.993 . 0 0 "[ . 1]" 1
1379 1 5 ILE HG12 1 5 ILE MG 3.033 . 4.183 2.486 2.381 3.198 . 0 0 "[ . 1]" 1
1380 1 5 ILE MD 1 5 ILE HG13 3.619 . 5.256 2.120 2.118 2.121 . 0 0 "[ . 1]" 1
1381 1 5 ILE HG13 1 5 ILE MG 3.098 . 4.297 3.120 2.354 3.209 . 0 0 "[ . 1]" 1
1382 1 2 TYR H 1 39 CYS H 4.117 . 6.236 6.347 6.267 6.413 0.177 7 0 "[ . 1]" 1
1383 1 24 THR H 1 26 PHE H 4.694 . 7.448 6.221 6.055 6.449 . 0 0 "[ . 1]" 1
1384 1 16 ASN H 1 17 ASN HD21 3.700 . 6.000 6.166 6.108 6.237 0.237 10 0 "[ . 1]" 1
1385 1 30 TYR H 1 48 GLY HA2 3.940 . 5.880 4.595 4.344 4.942 . 0 0 "[ . 1]" 1
1386 1 20 TRP HA 1 20 TRP HZ2 2.687 . 6.000 6.060 6.017 6.096 0.096 10 0 "[ . 1]" 1
1387 1 36 ASN HD21 1 37 ASP HA 4.325 . 6.663 6.292 5.319 6.759 0.096 3 0 "[ . 1]" 1
1388 1 36 ASN HA 1 39 CYS H 3.352 . 4.757 3.320 3.129 3.414 . 0 0 "[ . 1]" 1
1389 1 36 ASN HB3 1 36 ASN HD21 2.615 . 3.469 2.621 2.109 2.965 . 0 0 "[ . 1]" 1
1390 1 18 ARG H 1 46 ARG QD 4.536 . 7.108 6.409 4.875 6.642 . 0 0 "[ . 1]" 1
1391 1 10 ASP HB3 1 42 TYR QD 2.682 . 3.581 2.829 2.048 3.535 . 0 0 "[ . 1]" 1
1392 1 35 ASN H 1 38 VAL MG1 4.007 . 6.014 4.695 4.544 4.882 . 0 0 "[ . 1]" 1
1393 1 8 ASP HA 1 9 HIS HB3 4.073 . 6.146 5.516 4.796 6.062 . 0 0 "[ . 1]" 1
1394 1 33 TRP HB3 1 34 PHE HA 3.975 . 5.950 4.614 4.578 4.652 . 0 0 "[ . 1]" 1
1395 1 14 CYS HA 1 14 CYS HB2 2.418 . 3.149 2.476 2.449 2.502 . 0 0 "[ . 1]" 1
1396 1 29 GLU HG2 1 46 ARG HA 4.370 . 6.758 4.810 4.473 5.035 . 0 0 "[ . 1]" 1
1397 1 49 ARG HA 1 49 ARG HB3 2.709 . 3.626 2.357 2.269 2.481 . 0 0 "[ . 1]" 1
1398 1 13 SER HA 1 13 SER HB3 2.038 . 2.557 2.372 2.340 2.408 . 0 0 "[ . 1]" 1
1399 1 10 ASP HB3 1 42 TYR HB2 3.440 . 4.919 2.720 2.155 3.463 . 0 0 "[ . 1]" 1
1400 1 32 ASP HB3 1 44 CYS HB2 2.991 . 4.110 3.449 3.357 3.723 . 0 0 "[ . 1]" 1
1401 1 32 ASP HB3 1 46 ARG QD 3.169 . 4.424 2.658 2.450 2.777 . 0 0 "[ . 1]" 1
1402 1 32 ASP HB3 1 44 CYS HB3 2.999 . 4.123 1.934 1.822 2.242 0.053 3 0 "[ . 1]" 1
1403 1 32 ASP HB2 1 44 CYS HB2 3.371 . 4.791 5.012 4.962 5.048 0.257 9 0 "[ . 1]" 1
1404 1 29 GLU HG3 1 45 CYS HB3 4.032 . 6.064 4.482 4.296 4.701 . 0 0 "[ . 1]" 1
1405 1 32 ASP HB2 1 44 CYS HB3 3.274 . 4.614 3.478 3.405 3.581 . 0 0 "[ . 1]" 1
1406 1 35 ASN HB2 1 36 ASN HB2 4.186 . 6.377 5.297 4.895 5.642 . 0 0 "[ . 1]" 1
1407 1 26 PHE HB2 1 29 GLU HB2 3.899 . 5.799 3.671 3.315 3.915 . 0 0 "[ . 1]" 1
1408 1 14 CYS HB2 1 15 ALA MB 3.327 . 4.710 3.610 3.504 3.781 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 26
_Distance_constraint_stats_list.Viol_count 43
_Distance_constraint_stats_list.Viol_total 50.433
_Distance_constraint_stats_list.Viol_max 0.309
_Distance_constraint_stats_list.Viol_rms 0.0611
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0194
_Distance_constraint_stats_list.Viol_average_violations_only 0.1173
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 14 CYS 0.022 0.011 6 0 "[ . 1]"
1 19 GLY 0.022 0.011 6 0 "[ . 1]"
1 20 TRP 0.017 0.010 8 0 "[ . 1]"
1 22 ARG 0.000 0.000 . 0 "[ . 1]"
1 28 HIS 0.113 0.068 7 0 "[ . 1]"
1 30 TYR 0.006 0.006 9 0 "[ . 1]"
1 32 ASP 1.527 0.234 8 0 "[ . 1]"
1 33 TRP 0.634 0.122 4 0 "[ . 1]"
1 34 PHE 2.727 0.309 4 0 "[ . 1]"
1 35 ASN 0.000 0.000 . 0 "[ . 1]"
1 37 ASP 0.634 0.122 4 0 "[ . 1]"
1 38 VAL 2.727 0.309 4 0 "[ . 1]"
1 39 CYS 0.000 0.000 . 0 "[ . 1]"
1 43 ARG 0.000 0.000 . 0 "[ . 1]"
1 44 CYS 1.527 0.234 8 0 "[ . 1]"
1 45 CYS 0.017 0.010 8 0 "[ . 1]"
1 46 ARG 0.006 0.006 9 0 "[ . 1]"
1 48 GLY 0.113 0.068 7 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 20 TRP H 1 45 CYS O 2.200 . 2.700 2.397 2.072 2.710 0.010 8 0 "[ . 1]" 2
2 1 20 TRP O 1 45 CYS H 2.200 . 2.700 1.811 1.723 1.858 0.007 2 0 "[ . 1]" 2
3 1 22 ARG H 1 43 ARG O 2.200 . 2.700 2.050 1.929 2.266 . 0 0 "[ . 1]" 2
4 1 22 ARG O 1 43 ARG H 2.200 . 2.700 2.137 2.016 2.361 . 0 0 "[ . 1]" 2
5 1 28 HIS O 1 48 GLY H 2.200 . 2.700 1.762 1.662 1.947 0.068 7 0 "[ . 1]" 2
6 1 30 TYR H 1 46 ARG O 2.200 . 2.700 1.956 1.813 2.140 . 0 0 "[ . 1]" 2
7 1 30 TYR O 1 46 ARG H 2.200 . 2.700 1.977 1.724 2.113 0.006 9 0 "[ . 1]" 2
8 1 32 ASP H 1 44 CYS O 2.200 . 2.700 1.734 1.701 1.760 0.029 2 0 "[ . 1]" 2
9 1 32 ASP O 1 44 CYS H 2.200 . 2.700 2.847 2.767 2.934 0.234 8 0 "[ . 1]" 2
10 1 14 CYS N 1 19 GLY O 3.200 2.516 3.927 2.715 2.695 2.757 . 0 0 "[ . 1]" 2
11 1 22 ARG O 1 43 ARG N 3.200 2.516 3.927 3.099 2.983 3.296 . 0 0 "[ . 1]" 2
12 1 20 TRP O 1 45 CYS N 3.200 2.516 3.927 2.643 2.613 2.708 . 0 0 "[ . 1]" 2
13 1 28 HIS O 1 48 GLY N 3.200 2.516 3.927 2.737 2.646 2.916 . 0 0 "[ . 1]" 2
14 1 20 TRP N 1 45 CYS O 3.200 2.516 3.927 3.262 2.936 3.573 . 0 0 "[ . 1]" 2
15 1 22 ARG N 1 43 ARG O 3.200 2.516 3.927 2.987 2.890 3.177 . 0 0 "[ . 1]" 2
16 1 30 TYR O 1 46 ARG N 3.200 2.516 3.927 2.782 2.648 2.878 . 0 0 "[ . 1]" 2
17 1 30 TYR N 1 46 ARG O 3.200 2.516 3.927 2.800 2.730 2.894 . 0 0 "[ . 1]" 2
18 1 32 ASP N 1 44 CYS O 3.200 2.516 3.927 2.710 2.682 2.734 . 0 0 "[ . 1]" 2
19 1 32 ASP O 1 44 CYS N 3.200 2.516 3.927 3.650 3.564 3.738 . 0 0 "[ . 1]" 2
20 1 33 TRP O 1 37 ASP H 2.200 . 2.700 2.763 2.694 2.822 0.122 4 0 "[ . 1]" 2
21 1 34 PHE O 1 38 VAL H 2.200 . 2.700 2.973 2.920 3.009 0.309 4 0 "[ . 1]" 2
22 1 35 ASN O 1 39 CYS H 2.200 . 2.700 2.075 1.932 2.454 . 0 0 "[ . 1]" 2
23 1 35 ASN O 1 39 CYS N 3.200 2.516 3.927 2.919 2.832 3.254 . 0 0 "[ . 1]" 2
24 1 14 CYS H 1 19 GLY O 2.200 . 2.700 1.749 1.719 1.793 0.011 6 0 "[ . 1]" 2
25 1 33 TRP O 1 37 ASP N 3.200 2.516 3.927 3.559 3.483 3.656 . 0 0 "[ . 1]" 2
26 1 34 PHE O 1 38 VAL N 3.200 2.516 3.927 3.859 3.811 3.912 . 0 0 "[ . 1]" 2
stop_
save_
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