NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
644526 |
6qet   |
34349 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6qet
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 1175
_Distance_constraint_stats_list.Viol_count 712
_Distance_constraint_stats_list.Viol_total 1437.832
_Distance_constraint_stats_list.Viol_max 1.404
_Distance_constraint_stats_list.Viol_rms 0.0754
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0122
_Distance_constraint_stats_list.Viol_average_violations_only 0.2019
_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 ASP 0.000 0.000 . 0 "[ . 1]"
1 2 THR 0.629 0.147 7 0 "[ . 1]"
1 3 THR 0.984 0.184 6 0 "[ . 1]"
1 4 SER 1.496 0.575 10 1 "[ . +]"
1 5 ASP 3.530 0.380 6 0 "[ . 1]"
1 6 PHE 24.302 1.404 2 10 [*+***-****]
1 7 HIS 28.778 1.404 2 10 [*+***-****]
1 8 THR 5.034 0.639 2 1 "[ + . 1]"
1 9 CYS 2.458 0.496 2 0 "[ . 1]"
1 10 GLN 25.524 0.930 8 10 [-******+**]
1 11 ASP 21.849 0.938 7 10 [***-**+***]
1 12 LYS 3.080 0.543 8 2 "[ -. + 1]"
1 13 GLY 0.387 0.075 6 0 "[ . 1]"
1 14 GLY 0.757 0.385 7 0 "[ . 1]"
1 15 HIS 7.912 0.717 6 7 "[-* **+* *1]"
1 16 CYS 0.103 0.032 2 0 "[ . 1]"
1 17 VAL 0.797 0.121 5 0 "[ . 1]"
1 18 SER 1.004 0.110 1 0 "[ . 1]"
1 19 PRO 4.248 0.372 1 0 "[ . 1]"
1 20 LYS 1.618 0.266 9 0 "[ . 1]"
1 21 ILE 3.424 0.485 9 0 "[ . 1]"
1 22 ARG 2.017 0.440 5 0 "[ . 1]"
1 23 CYS 3.519 0.488 9 0 "[ . 1]"
1 24 LEU 5.760 0.701 6 6 "[**-**+ 1]"
1 25 GLU 2.576 0.694 2 3 "[ + *. -1]"
1 26 GLU 7.855 0.701 6 7 "[**-**+ *1]"
1 27 GLN 5.661 0.907 7 4 "[ * *. + -1]"
1 28 LEU 4.715 0.888 7 2 "[ - + 1]"
1 29 GLY 1.834 0.369 2 0 "[ . 1]"
1 30 LEU 0.816 0.575 10 1 "[ . +]"
1 31 CYS 1.057 0.151 7 0 "[ . 1]"
1 32 PRO 15.480 0.794 6 5 "[** .+* -]"
1 33 LEU 25.999 0.571 7 3 "[ * . + -]"
1 34 LYS 14.978 0.601 2 4 "[ +* .- *]"
1 35 ARG 3.467 0.202 9 0 "[ . 1]"
1 36 TRP 11.015 0.601 2 4 "[ +* .- *]"
1 37 THR 0.862 0.110 4 0 "[ . 1]"
1 38 CYS 3.290 0.907 7 2 "[ - . + 1]"
1 39 CYS 5.411 0.604 7 4 "[-* *. + 1]"
1 40 LYS 0.699 0.113 1 0 "[ . 1]"
1 41 GLU 0.908 0.134 4 0 "[ . 1]"
1 42 ILE 6.270 0.717 6 3 "[ *+ -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 19 PRO QB 1 36 TRP HE1 3.865 . 5.733 5.917 5.808 6.105 0.372 1 0 "[ . 1]" 1
2 1 34 LYS QB 1 36 TRP HE1 3.224 . 4.524 3.073 2.885 3.302 . 0 0 "[ . 1]" 1
3 1 17 VAL QG 1 39 CYS H 2.941 . 4.022 2.723 2.492 2.910 . 0 0 "[ . 1]" 1
4 1 30 LEU QD 1 31 CYS H 3.010 . 4.143 3.498 3.207 4.156 0.013 1 0 "[ . 1]" 1
5 1 17 VAL QG 1 23 CYS H 3.342 . 4.738 4.672 4.443 4.752 0.014 7 0 "[ . 1]" 1
6 1 40 LYS H 1 40 LYS QG 2.836 . 6.000 4.001 3.961 4.040 . 0 0 "[ . 1]" 1
7 1 30 LEU QB 1 31 CYS H 3.274 . 4.614 3.408 2.784 3.669 . 0 0 "[ . 1]" 1
8 1 35 ARG H 1 35 ARG QG 2.801 . 3.782 2.836 2.143 3.919 0.137 4 0 "[ . 1]" 1
9 1 22 ARG QB 1 23 CYS H 2.985 . 4.098 3.768 2.932 3.964 . 0 0 "[ . 1]" 1
10 1 34 LYS QB 1 35 ARG H 2.861 . 3.884 1.704 1.648 1.790 0.190 9 0 "[ . 1]" 1
11 1 27 GLN QB 1 40 LYS H 3.213 . 4.503 2.805 2.409 4.126 . 0 0 "[ . 1]" 1
12 1 25 GLU HB3 1 40 LYS H 2.835 . 3.840 3.420 2.972 3.540 . 0 0 "[ . 1]" 1
13 1 27 GLN QB 1 39 CYS H 4.193 . 6.390 4.828 4.046 6.310 . 0 0 "[ . 1]" 1
14 1 9 CYS HB3 1 38 CYS H 3.871 . 5.744 4.862 4.581 5.446 . 0 0 "[ . 1]" 1
15 1 15 HIS H 1 39 CYS HB2 3.335 . 4.726 4.686 4.417 4.830 0.104 8 0 "[ . 1]" 1
16 1 15 HIS HB3 1 17 VAL H 4.212 . 6.429 5.858 5.604 5.983 . 0 0 "[ . 1]" 1
17 1 38 CYS HB2 1 40 LYS H 4.049 . 6.098 5.140 4.906 5.597 . 0 0 "[ . 1]" 1
18 1 36 TRP HB2 1 38 CYS H 4.419 . 6.860 5.970 5.906 6.111 . 0 0 "[ . 1]" 1
19 1 26 GLU HA 1 38 CYS H 4.175 . 6.354 4.957 4.854 5.093 . 0 0 "[ . 1]" 1
20 1 3 THR H 1 3 THR HA 2.796 . 3.773 2.285 2.144 2.433 . 0 0 "[ . 1]" 1
21 1 3 THR H 1 3 THR HB 2.708 . 3.624 3.192 3.104 3.272 . 0 0 "[ . 1]" 1
22 1 35 ARG H 1 35 ARG QD 3.740 . 5.488 4.202 3.761 4.711 . 0 0 "[ . 1]" 1
23 1 22 ARG H 1 22 ARG QD 3.616 . 5.251 4.486 3.840 4.664 . 0 0 "[ . 1]" 1
24 1 26 GLU HB2 1 27 GLN H 2.809 . 3.795 3.348 2.254 3.626 . 0 0 "[ . 1]" 1
25 1 27 GLN QB 1 28 LEU H 2.466 . 3.226 3.121 2.074 3.349 0.123 8 0 "[ . 1]" 1
26 1 27 GLN H 1 27 GLN QB 2.625 . 3.486 2.542 2.376 3.097 . 0 0 "[ . 1]" 1
27 1 34 LYS H 1 34 LYS QB 2.034 . 2.551 2.584 2.399 2.685 0.134 4 0 "[ . 1]" 1
28 1 22 ARG H 1 22 ARG QB 2.259 . 2.897 2.253 2.205 2.518 . 0 0 "[ . 1]" 1
29 1 34 LYS H 1 34 LYS QD 3.901 . 5.804 4.364 3.953 4.599 . 0 0 "[ . 1]" 1
30 1 34 LYS QB 1 36 TRP H 3.429 . 4.899 3.629 3.452 3.876 . 0 0 "[ . 1]" 1
31 1 35 ARG QG 1 36 TRP H 3.279 . 4.623 3.872 3.610 4.058 . 0 0 "[ . 1]" 1
32 1 40 LYS QG 1 41 GLU H 3.440 . 4.919 3.876 3.461 4.042 . 0 0 "[ . 1]" 1
33 1 6 PHE QE 1 30 LEU QD 2.500 . 3.281 2.875 2.038 3.174 . 0 0 "[ . 1]" 1
34 1 6 PHE QD 1 30 LEU QD 2.908 . 3.965 2.787 2.380 3.103 . 0 0 "[ . 1]" 1
35 1 17 VAL QG 1 36 TRP HZ3 3.269 . 4.605 4.557 4.535 4.589 . 0 0 "[ . 1]" 1
36 1 17 VAL QG 1 36 TRP HE3 3.110 . 4.319 4.218 4.168 4.267 . 0 0 "[ . 1]" 1
37 1 14 GLY H 1 37 THR MG 4.299 . 6.609 6.095 5.922 6.203 . 0 0 "[ . 1]" 1
38 1 20 LYS H 1 20 LYS QG 2.635 . 6.000 4.216 4.116 4.312 . 0 0 "[ . 1]" 1
39 1 20 LYS QG 1 21 ILE H 3.721 . 5.451 4.433 4.259 4.586 . 0 0 "[ . 1]" 1
40 1 20 LYS H 1 20 LYS QD 3.955 . 5.910 4.690 4.200 5.242 . 0 0 "[ . 1]" 1
41 1 20 LYS QD 1 21 ILE H 4.430 . 6.884 5.133 4.350 6.056 . 0 0 "[ . 1]" 1
42 1 7 HIS HD2 1 12 LYS QD 3.396 . 4.838 3.623 2.751 4.133 . 0 0 "[ . 1]" 1
43 1 35 ARG HE 1 35 ARG QG 3.289 . 4.641 2.491 2.079 3.078 . 0 0 "[ . 1]" 1
44 1 35 ARG QG 1 36 TRP HD1 3.558 . 5.141 4.721 3.518 5.288 0.147 8 0 "[ . 1]" 1
45 1 34 LYS QB 1 36 TRP HD1 2.724 . 3.651 2.220 2.010 2.524 . 0 0 "[ . 1]" 1
46 1 25 GLU H 1 25 GLU QB 2.863 . 3.887 2.595 2.543 2.677 . 0 0 "[ . 1]" 1
47 1 19 PRO HG2 1 36 TRP HZ2 4.140 . 6.282 5.407 5.302 5.475 . 0 0 "[ . 1]" 1
48 1 10 GLN HB2 1 10 GLN HE21 3.361 . 4.773 3.790 3.637 3.952 . 0 0 "[ . 1]" 1
49 1 32 PRO HB2 1 33 LEU H 2.790 . 3.763 3.833 3.811 3.852 0.089 10 0 "[ . 1]" 1
50 1 27 GLN QB 1 27 GLN HE21 3.475 . 4.984 3.257 2.711 3.805 . 0 0 "[ . 1]" 1
51 1 10 GLN HB3 1 15 HIS HD2 3.891 . 5.783 4.999 4.876 5.104 . 0 0 "[ . 1]" 1
52 1 19 PRO QB 1 20 LYS H 3.472 . 4.978 3.788 2.467 3.947 . 0 0 "[ . 1]" 1
53 1 14 GLY H 1 40 LYS QE 4.260 . 6.529 6.004 5.369 6.449 . 0 0 "[ . 1]" 1
54 1 6 PHE QE 1 7 HIS QB 4.207 . 6.419 5.443 5.349 5.560 . 0 0 "[ . 1]" 1
55 1 35 ARG QD 1 35 ARG HE 2.557 . 3.374 2.468 2.309 2.504 . 0 0 "[ . 1]" 1
56 1 33 LEU H 1 36 TRP HB3 3.745 . 5.498 5.416 5.302 5.492 . 0 0 "[ . 1]" 1
57 1 22 ARG QD 1 22 ARG HE 2.364 . 3.063 2.399 2.259 2.495 . 0 0 "[ . 1]" 1
58 1 16 CYS HB3 1 33 LEU H 4.198 . 6.401 5.648 5.522 5.711 . 0 0 "[ . 1]" 1
59 1 11 ASP HA 1 12 LYS H 2.489 . 3.263 2.802 2.792 2.817 . 0 0 "[ . 1]" 1
60 1 27 GLN QB 1 27 GLN HE22 3.541 . 5.109 3.895 3.481 4.206 . 0 0 "[ . 1]" 1
61 1 12 LYS QD 1 27 GLN HE22 3.800 . 5.605 4.219 3.506 4.779 . 0 0 "[ . 1]" 1
62 1 15 HIS HB3 1 16 CYS HA 3.680 . 5.373 4.952 4.570 5.136 . 0 0 "[ . 1]" 1
63 1 16 CYS HA 1 17 VAL QG 2.838 . 3.845 3.295 3.261 3.340 . 0 0 "[ . 1]" 1
64 1 10 GLN HA 1 11 ASP HA 3.752 . 5.512 3.967 3.947 3.988 . 0 0 "[ . 1]" 1
65 1 26 GLU HA 1 38 CYS HB2 3.797 . 5.599 4.507 4.070 5.771 0.172 2 0 "[ . 1]" 1
66 1 35 ARG HA 1 35 ARG QD 3.118 . 4.333 3.493 2.001 4.448 0.115 2 0 "[ . 1]" 1
67 1 6 PHE HA 1 7 HIS QB 4.757 . 7.586 4.277 4.199 4.404 . 0 0 "[ . 1]" 1
68 1 22 ARG HA 1 22 ARG QD 3.099 . 4.299 3.822 3.126 4.438 0.139 5 0 "[ . 1]" 1
69 1 11 ASP HA 1 11 ASP QB 3.208 . 4.495 2.359 2.345 2.377 . 0 0 "[ . 1]" 1
70 1 23 CYS HB2 1 37 THR HB 3.806 . 5.616 4.594 4.166 5.207 . 0 0 "[ . 1]" 1
71 1 26 GLU HA 1 26 GLU HB2 2.680 . 3.578 2.568 2.221 2.827 . 0 0 "[ . 1]" 1
72 1 27 GLN HA 1 27 GLN QB 2.339 . 3.023 2.322 2.168 2.533 . 0 0 "[ . 1]" 1
73 1 25 GLU HA 1 25 GLU HG3 2.692 . 3.598 2.529 2.248 2.923 . 0 0 "[ . 1]" 1
74 1 25 GLU HA 1 25 GLU HG2 2.977 . 4.085 2.810 2.350 3.330 . 0 0 "[ . 1]" 1
75 1 19 PRO HA 1 19 PRO QB 2.366 . 3.066 2.173 2.159 2.256 . 0 0 "[ . 1]" 1
76 1 27 GLN QB 1 28 LEU HA 3.035 . 4.187 3.944 3.668 4.300 0.113 1 0 "[ . 1]" 1
77 1 25 GLU HA 1 25 GLU QB 2.387 . 3.099 2.360 2.329 2.397 . 0 0 "[ . 1]" 1
78 1 25 GLU HA 1 40 LYS HB2 3.836 . 5.675 5.059 4.954 5.189 . 0 0 "[ . 1]" 1
79 1 33 LEU HA 1 34 LYS QB 3.409 . 4.862 5.096 5.037 5.174 0.312 2 0 "[ . 1]" 1
80 1 12 LYS HA 1 12 LYS QD 2.687 . 3.590 3.572 3.069 4.133 0.543 8 2 "[ -. + 1]" 1
81 1 24 LEU HB2 1 25 GLU HA 3.896 . 5.793 4.242 4.154 4.354 . 0 0 "[ . 1]" 1
82 1 30 LEU HA 1 30 LEU QB 2.801 . 3.782 2.297 2.012 2.440 . 0 0 "[ . 1]" 1
83 1 27 GLN HA 1 28 LEU HB2 3.514 . 5.058 4.150 3.323 5.083 0.025 7 0 "[ . 1]" 1
84 1 26 GLU HA 1 40 LYS QG 4.087 . 6.175 5.373 4.948 5.964 . 0 0 "[ . 1]" 1
85 1 25 GLU HA 1 40 LYS HG3 4.059 . 6.119 5.076 4.613 5.367 . 0 0 "[ . 1]" 1
86 1 40 LYS HA 1 40 LYS QG 2.733 . 3.667 2.468 2.310 2.999 . 0 0 "[ . 1]" 1
87 1 17 VAL QG 1 38 CYS HA 3.038 . 4.192 3.742 3.632 3.867 . 0 0 "[ . 1]" 1
88 1 24 LEU QD 1 25 GLU HA 4.056 . 6.113 4.472 4.250 4.670 . 0 0 "[ . 1]" 1
89 1 30 LEU HA 1 30 LEU QD 2.208 . 2.817 2.263 1.872 2.972 0.155 10 0 "[ . 1]" 1
90 1 22 ARG HA 1 22 ARG QB 2.559 . 3.377 2.343 2.171 2.420 . 0 0 "[ . 1]" 1
91 1 34 LYS QB 1 35 ARG HA 4.088 . 6.177 4.002 3.946 4.036 . 0 0 "[ . 1]" 1
92 1 19 PRO QB 1 20 LYS HA 3.901 . 5.803 4.251 3.725 4.406 . 0 0 "[ . 1]" 1
93 1 20 LYS HA 1 20 LYS HB3 2.273 . 2.919 2.283 2.268 2.300 . 0 0 "[ . 1]" 1
94 1 24 LEU HB2 1 42 ILE HA 3.203 . 4.485 2.947 2.373 3.457 . 0 0 "[ . 1]" 1
95 1 35 ARG HA 1 35 ARG QG 2.499 . 3.280 2.805 2.198 3.324 0.044 2 0 "[ . 1]" 1
96 1 28 LEU HB2 1 29 GLY HA3 3.819 . 5.642 4.278 4.121 4.539 . 0 0 "[ . 1]" 1
97 1 12 LYS QD 1 29 GLY HA3 3.607 . 5.233 5.111 4.752 5.321 0.088 6 0 "[ . 1]" 1
98 1 28 LEU HB3 1 29 GLY HA3 3.798 . 5.601 4.463 4.311 4.728 . 0 0 "[ . 1]" 1
99 1 20 LYS HA 1 20 LYS QG 2.821 . 3.816 2.697 2.346 2.962 . 0 0 "[ . 1]" 1
100 1 8 THR HA 1 30 LEU QD 2.319 . 2.991 2.873 2.442 2.945 . 0 0 "[ . 1]" 1
101 1 30 LEU QD 1 32 PRO HA 3.585 . 5.192 4.522 3.571 4.996 . 0 0 "[ . 1]" 1
102 1 28 LEU HB2 1 29 GLY HA2 3.652 . 5.319 3.849 3.646 4.012 . 0 0 "[ . 1]" 1
103 1 12 LYS QD 1 29 GLY HA2 3.540 . 5.107 4.864 4.618 5.071 . 0 0 "[ . 1]" 1
104 1 28 LEU HB3 1 29 GLY HA2 3.596 . 5.212 4.207 3.942 4.303 . 0 0 "[ . 1]" 1
105 1 4 SER HB3 1 30 LEU QD 3.780 . 5.566 5.479 4.550 6.141 0.575 10 1 "[ . +]" 1
106 1 19 PRO HB3 1 19 PRO HD2 2.886 . 3.927 2.781 2.427 3.262 . 0 0 "[ . 1]" 1
107 1 35 ARG HB3 1 35 ARG QD 2.924 . 3.993 2.686 2.324 3.374 . 0 0 "[ . 1]" 1
108 1 19 PRO HD2 1 19 PRO QG 2.520 . 3.314 2.193 2.189 2.210 . 0 0 "[ . 1]" 1
109 1 19 PRO HD2 1 34 LYS QB 2.590 . 6.000 4.222 4.034 4.456 . 0 0 "[ . 1]" 1
110 1 35 ARG QD 1 35 ARG QG 2.291 . 2.947 2.010 1.983 2.085 . 0 0 "[ . 1]" 1
111 1 7 HIS QB 1 12 LYS QD 3.463 . 4.962 2.800 1.940 3.518 0.024 4 0 "[ . 1]" 1
112 1 22 ARG QD 1 22 ARG HG2 2.663 . 3.549 2.232 2.162 2.389 . 0 0 "[ . 1]" 1
113 1 19 PRO QB 1 19 PRO HD3 3.326 . 4.709 2.845 2.740 3.490 . 0 0 "[ . 1]" 1
114 1 25 GLU HB3 1 40 LYS HE3 3.597 . 5.214 3.341 1.972 4.530 0.008 6 0 "[ . 1]" 1
115 1 27 GLN QB 1 38 CYS HB2 3.502 . 5.035 3.395 2.491 5.255 0.220 2 0 "[ . 1]" 1
116 1 34 LYS QD 1 34 LYS QE 3.257 . 4.583 2.023 1.996 2.091 . 0 0 "[ . 1]" 1
117 1 19 PRO HD3 1 34 LYS QB 2.782 . 3.750 3.826 3.751 3.927 0.177 6 0 "[ . 1]" 1
118 1 40 LYS HB3 1 40 LYS QE 3.669 . 5.351 4.134 3.881 4.510 . 0 0 "[ . 1]" 1
119 1 12 LYS QD 1 12 LYS QE 2.798 . 3.327 2.025 1.982 2.091 . 0 0 "[ . 1]" 1
120 1 34 LYS QE 1 34 LYS HG3 3.613 . 5.245 2.777 2.327 3.527 . 0 0 "[ . 1]" 1
121 1 40 LYS QE 1 40 LYS QG 2.741 . 3.680 2.312 2.126 2.418 . 0 0 "[ . 1]" 1
122 1 20 LYS QE 1 20 LYS QG 3.130 . 4.355 2.446 2.128 2.854 . 0 0 "[ . 1]" 1
123 1 17 VAL QG 1 18 SER HB2 3.974 . 5.948 5.250 5.152 5.326 . 0 0 "[ . 1]" 1
124 1 16 CYS HB3 1 17 VAL QG 4.079 . 6.159 4.474 4.420 4.530 . 0 0 "[ . 1]" 1
125 1 22 ARG QD 1 42 ILE HG12 4.077 . 6.155 5.505 4.699 6.034 . 0 0 "[ . 1]" 1
126 1 22 ARG QD 1 24 LEU QD 3.744 . 4.385 2.630 1.996 3.745 . 0 0 "[ . 1]" 1
127 1 21 ILE MG 1 39 CYS HB3 3.101 . 4.303 4.088 3.802 4.263 . 0 0 "[ . 1]" 1
128 1 15 HIS HB3 1 17 VAL MG2 2.973 . 6.000 4.856 4.727 5.026 . 0 0 "[ . 1]" 1
129 1 6 PHE QB 1 30 LEU QD 3.138 . 4.369 2.422 1.943 3.282 . 0 0 "[ . 1]" 1
130 1 17 VAL QG 1 39 CYS HB2 2.280 . 2.930 1.865 1.831 1.938 . 0 0 "[ . 1]" 1
131 1 21 ILE MG 1 23 CYS HB3 3.420 . 4.882 4.348 4.241 4.443 . 0 0 "[ . 1]" 1
132 1 25 GLU QB 1 25 GLU HG3 2.596 . 3.438 2.354 2.330 2.376 . 0 0 "[ . 1]" 1
133 1 25 GLU QB 1 25 GLU HG2 2.394 . 3.111 2.264 2.156 2.352 . 0 0 "[ . 1]" 1
134 1 27 GLN QB 1 27 GLN QG 2.191 . 2.791 2.005 1.998 2.019 . 0 0 "[ . 1]" 1
135 1 19 PRO QB 1 20 LYS HB3 1.951 . 6.000 5.314 4.359 5.544 . 0 0 "[ . 1]" 1
136 1 35 ARG HB2 1 35 ARG QG 2.541 . 3.348 2.265 2.143 2.372 . 0 0 "[ . 1]" 1
137 1 25 GLU HG2 1 40 LYS QD 3.730 . 5.469 4.065 2.589 5.460 . 0 0 "[ . 1]" 1
138 1 24 LEU HB3 1 25 GLU HG3 3.776 . 5.559 5.467 4.717 5.615 0.056 1 0 "[ . 1]" 1
139 1 35 ARG HB3 1 35 ARG QG 2.360 . 3.056 2.332 2.145 2.446 . 0 0 "[ . 1]" 1
140 1 25 GLU HB3 1 40 LYS HD2 3.277 . 4.619 2.963 2.375 3.924 . 0 0 "[ . 1]" 1
141 1 34 LYS QB 1 34 LYS HG2 2.366 . 3.066 2.384 2.358 2.414 . 0 0 "[ . 1]" 1
142 1 34 LYS QD 1 34 LYS HG2 1.961 . 2.441 2.328 2.160 2.457 0.016 6 0 "[ . 1]" 1
143 1 34 LYS QD 1 34 LYS HG3 2.195 . 2.797 2.317 2.158 2.438 . 0 0 "[ . 1]" 1
144 1 12 LYS QB 1 12 LYS QD 2.720 . 3.645 2.258 2.115 2.320 . 0 0 "[ . 1]" 1
145 1 25 GLU HB3 1 40 LYS QG 3.218 . 4.513 3.138 2.875 3.510 . 0 0 "[ . 1]" 1
146 1 27 GLN QB 1 40 LYS QG 3.231 . 4.536 3.795 3.278 4.510 . 0 0 "[ . 1]" 1
147 1 22 ARG QB 1 22 ARG HG3 2.373 . 3.077 2.213 2.124 2.369 . 0 0 "[ . 1]" 1
148 1 20 LYS HB3 1 20 LYS QG 2.430 . 3.168 2.244 2.165 2.408 . 0 0 "[ . 1]" 1
149 1 17 VAL QG 1 26 GLU HG3 3.916 . 5.833 5.756 5.583 5.895 0.062 7 0 "[ . 1]" 1
150 1 17 VAL HB 1 17 VAL QG 1.880 . 2.322 1.893 1.891 1.895 . 0 0 "[ . 1]" 1
151 1 32 PRO HB2 1 33 LEU MD2 2.948 . 4.035 3.782 3.737 3.843 . 0 0 "[ . 1]" 1
152 1 32 PRO QG 1 33 LEU HB2 4.143 . 6.288 4.140 4.057 4.383 . 0 0 "[ . 1]" 1
153 1 17 VAL QG 1 21 ILE HB 2.318 . 2.989 2.529 2.347 2.650 . 0 0 "[ . 1]" 1
154 1 21 ILE MG 1 42 ILE HB 2.590 . 3.428 2.699 2.455 3.102 . 0 0 "[ . 1]" 1
155 1 40 LYS QD 1 40 LYS QG 2.072 . 2.609 2.085 2.077 2.092 . 0 0 "[ . 1]" 1
156 1 20 LYS HB2 1 20 LYS QG 2.440 . 3.184 2.336 2.276 2.374 . 0 0 "[ . 1]" 1
157 1 28 LEU HB3 1 28 LEU QD 2.224 . 2.842 1.824 1.749 1.873 . 0 0 "[ . 1]" 1
158 1 32 PRO HB2 1 33 LEU MD1 3.321 . 4.699 4.375 4.209 4.436 . 0 0 "[ . 1]" 1
159 1 27 GLN QB 1 39 CYS HA 3.634 . 5.285 3.678 3.208 4.836 . 0 0 "[ . 1]" 1
160 1 31 CYS HA 1 32 PRO HB2 4.091 . 6.183 3.817 3.782 3.845 . 0 0 "[ . 1]" 1
161 1 7 HIS HA 1 12 LYS QD 4.129 . 6.260 3.788 3.436 4.388 . 0 0 "[ . 1]" 1
162 1 17 VAL QG 1 39 CYS HA 3.171 . 4.428 3.676 3.535 3.857 . 0 0 "[ . 1]" 1
163 1 7 HIS QB 1 9 CYS H 4.758 . 7.588 5.922 5.645 6.000 . 0 0 "[ . 1]" 1
164 1 9 CYS H 1 30 LEU QD 3.674 . 5.362 4.818 3.617 5.162 . 0 0 "[ . 1]" 1
165 1 15 HIS HD2 1 42 ILE HA 4.034 . 6.068 4.458 3.313 5.286 . 0 0 "[ . 1]" 1
166 1 3 THR HB 1 6 PHE HZ 4.143 . 6.288 6.024 5.647 6.405 0.117 2 0 "[ . 1]" 1
167 1 6 PHE H 1 30 LEU QB 4.304 . 6.620 5.138 4.787 5.774 . 0 0 "[ . 1]" 1
168 1 12 LYS QD 1 13 GLY H 4.111 . 6.223 4.336 3.600 5.164 . 0 0 "[ . 1]" 1
169 1 33 LEU HG 1 36 TRP H 4.860 . 7.812 5.523 4.638 5.962 . 0 0 "[ . 1]" 1
170 1 34 LYS H 1 34 LYS QE 4.171 . 6.346 5.216 3.552 5.654 . 0 0 "[ . 1]" 1
171 1 19 PRO QG 1 37 THR H 4.304 . 6.619 5.812 5.134 6.074 . 0 0 "[ . 1]" 1
172 1 27 GLN QB 1 38 CYS H 4.723 . 7.512 4.961 4.576 5.884 . 0 0 "[ . 1]" 1
173 1 26 GLU HB2 1 38 CYS H 4.526 . 7.087 5.052 4.330 6.065 . 0 0 "[ . 1]" 1
174 1 28 LEU HB2 1 38 CYS H 4.659 . 7.373 6.217 5.943 6.369 . 0 0 "[ . 1]" 1
175 1 35 ARG QG 1 36 TRP HE1 4.481 . 6.991 6.206 4.814 6.933 . 0 0 "[ . 1]" 1
176 1 19 PRO HD3 1 33 LEU H 4.574 . 7.190 6.607 6.473 6.711 . 0 0 "[ . 1]" 1
177 1 17 VAL QG 1 40 LYS H 3.680 . 5.373 5.013 4.926 5.140 . 0 0 "[ . 1]" 1
178 1 19 PRO QB 1 37 THR H 3.708 . 5.427 4.912 4.637 5.402 . 0 0 "[ . 1]" 1
179 1 24 LEU H 1 25 GLU QB 3.401 . 4.847 4.728 4.539 4.812 . 0 0 "[ . 1]" 1
180 1 26 GLU H 1 40 LYS QG 4.639 . 7.329 6.736 6.337 7.026 . 0 0 "[ . 1]" 1
181 1 21 ILE MG 1 24 LEU H 4.143 . 6.289 4.992 4.876 5.228 . 0 0 "[ . 1]" 1
182 1 9 CYS H 1 32 PRO HB2 4.747 . 7.564 6.549 6.305 6.706 . 0 0 "[ . 1]" 1
183 1 15 HIS H 1 40 LYS QD 4.410 . 6.841 6.163 5.011 6.914 0.073 5 0 "[ . 1]" 1
184 1 15 HIS H 1 40 LYS HB2 4.014 . 6.028 5.137 4.829 5.451 . 0 0 "[ . 1]" 1
185 1 15 HIS H 1 42 ILE HA 4.406 . 6.832 6.408 6.148 6.729 . 0 0 "[ . 1]" 1
186 1 27 GLN H 1 40 LYS QG 4.471 . 6.970 6.166 5.905 6.579 . 0 0 "[ . 1]" 1
187 1 17 VAL QG 1 22 ARG H 3.622 . 5.262 4.861 4.644 5.014 . 0 0 "[ . 1]" 1
188 1 6 PHE H 1 30 LEU QD 3.639 . 5.294 4.927 4.557 5.210 . 0 0 "[ . 1]" 1
189 1 12 LYS QE 1 29 GLY H 4.559 . 7.157 5.582 4.725 6.111 . 0 0 "[ . 1]" 1
190 1 25 GLU HB3 1 41 GLU H 3.239 . 6.000 5.140 4.902 5.256 . 0 0 "[ . 1]" 1
191 1 15 HIS HB3 1 41 GLU H 4.336 . 6.686 4.971 4.483 5.206 . 0 0 "[ . 1]" 1
192 1 19 PRO QB 1 21 ILE H 4.345 . 6.704 5.045 4.592 5.268 . 0 0 "[ . 1]" 1
193 1 20 LYS H 1 20 LYS QE 4.404 . 6.829 5.627 4.297 6.536 . 0 0 "[ . 1]" 1
194 1 12 LYS H 1 12 LYS QD 3.152 . 4.394 3.104 1.913 4.346 . 0 0 "[ . 1]" 1
195 1 15 HIS HD2 1 42 ILE HG12 3.988 . 5.976 4.791 3.753 5.686 . 0 0 "[ . 1]" 1
196 1 15 HIS HD2 1 40 LYS QG 4.409 . 6.839 6.575 6.066 6.777 . 0 0 "[ . 1]" 1
197 1 31 CYS QB 1 32 PRO HB2 4.129 . 6.260 4.537 4.463 4.658 . 0 0 "[ . 1]" 1
198 1 27 GLN QB 1 38 CYS HB3 3.744 . 5.496 3.516 2.981 4.843 . 0 0 "[ . 1]" 1
199 1 18 SER HB2 1 19 PRO QG 3.867 . 5.736 3.690 3.511 4.130 . 0 0 "[ . 1]" 1
200 1 22 ARG QD 1 42 ILE HB 3.209 . 4.496 4.418 3.745 4.580 0.084 6 0 "[ . 1]" 1
201 1 22 ARG QB 1 22 ARG QD 2.947 . 4.032 2.451 2.253 2.741 . 0 0 "[ . 1]" 1
202 1 34 LYS QB 1 35 ARG HB2 2.284 . 6.000 3.869 3.337 4.769 . 0 0 "[ . 1]" 1
203 1 22 ARG QB 1 24 LEU QD 2.972 . 4.076 3.917 3.691 4.051 . 0 0 "[ . 1]" 1
204 1 25 GLU HG2 1 26 GLU HA 3.394 . 4.834 4.613 4.003 5.528 0.694 2 3 "[ + *. -1]" 1
205 1 14 GLY HA3 1 15 HIS HB2 3.644 . 5.304 4.533 4.244 4.909 . 0 0 "[ . 1]" 1
206 1 20 LYS HB3 1 20 LYS QE 4.172 . 6.347 3.813 1.976 4.499 0.021 1 0 "[ . 1]" 1
207 1 34 LYS QB 1 34 LYS QE 4.043 . 6.086 3.174 1.957 3.669 0.043 9 0 "[ . 1]" 1
208 1 34 LYS H 1 36 TRP HE1 4.192 . 6.389 3.643 3.223 3.879 . 0 0 "[ . 1]" 1
209 1 36 TRP H 1 36 TRP HE1 3.573 . 5.169 4.956 4.882 5.052 . 0 0 "[ . 1]" 1
210 1 17 VAL H 1 39 CYS H 3.823 . 5.650 3.488 3.347 3.676 . 0 0 "[ . 1]" 1
211 1 16 CYS H 1 17 VAL H 3.795 . 5.595 4.522 4.484 4.540 . 0 0 "[ . 1]" 1
212 1 17 VAL H 1 37 THR H 2.838 . 3.845 3.271 3.111 3.441 . 0 0 "[ . 1]" 1
213 1 17 VAL H 1 18 SER H 3.605 . 5.229 4.384 4.358 4.413 . 0 0 "[ . 1]" 1
214 1 17 VAL H 1 36 TRP HZ3 4.357 . 6.730 4.752 4.684 4.870 . 0 0 "[ . 1]" 1
215 1 17 VAL H 1 36 TRP HE3 3.273 . 4.612 3.257 3.189 3.335 . 0 0 "[ . 1]" 1
216 1 39 CYS H 1 40 LYS H 4.106 . 6.213 4.326 4.269 4.377 . 0 0 "[ . 1]" 1
217 1 37 THR H 1 38 CYS H 4.142 . 6.286 4.588 4.570 4.605 . 0 0 "[ . 1]" 1
218 1 15 HIS H 1 39 CYS H 2.795 . 3.771 4.111 3.869 4.375 0.604 7 4 "[-* *. + 1]" 1
219 1 15 HIS H 1 16 CYS H 3.630 . 5.277 4.548 4.523 4.568 . 0 0 "[ . 1]" 1
220 1 27 GLN H 1 39 CYS H 4.406 . 6.833 4.797 4.710 4.896 . 0 0 "[ . 1]" 1
221 1 27 GLN H 1 38 CYS H 4.065 . 6.130 3.906 3.795 4.012 . 0 0 "[ . 1]" 1
222 1 15 HIS HD2 1 39 CYS H 4.424 . 6.871 4.259 4.077 4.628 . 0 0 "[ . 1]" 1
223 1 15 HIS HD2 1 16 CYS H 3.994 . 5.988 5.144 5.022 5.225 . 0 0 "[ . 1]" 1
224 1 16 CYS H 1 36 TRP HE3 3.801 . 5.607 4.735 4.619 4.824 . 0 0 "[ . 1]" 1
225 1 30 LEU H 1 31 CYS H 3.815 . 5.634 4.136 3.997 4.389 . 0 0 "[ . 1]" 1
226 1 27 GLN H 1 40 LYS H 3.327 . 4.711 3.479 3.196 3.682 . 0 0 "[ . 1]" 1
227 1 26 GLU H 1 27 GLN H 3.845 . 5.693 4.542 4.483 4.583 . 0 0 "[ . 1]" 1
228 1 22 ARG H 1 23 CYS H 3.575 . 5.172 4.441 4.320 4.575 . 0 0 "[ . 1]" 1
229 1 34 LYS H 1 35 ARG H 3.328 . 4.712 3.451 2.892 3.888 . 0 0 "[ . 1]" 1
230 1 9 CYS H 1 30 LEU H 2.866 . 3.893 3.225 3.104 3.559 . 0 0 "[ . 1]" 1
231 1 10 GLN H 1 11 ASP H 2.542 . 3.350 4.250 4.230 4.280 0.930 8 10 [**-****+**] 1
232 1 9 CYS H 1 11 ASP H 3.960 . 5.921 5.791 5.729 5.857 . 0 0 "[ . 1]" 1
233 1 40 LYS H 1 41 GLU H 2.481 . 6.000 4.000 3.880 4.062 . 0 0 "[ . 1]" 1
234 1 25 GLU H 1 40 LYS H 3.686 . 5.384 3.728 3.517 3.957 . 0 0 "[ . 1]" 1
235 1 25 GLU H 1 26 GLU H 3.325 . 4.707 4.073 3.937 4.199 . 0 0 "[ . 1]" 1
236 1 24 LEU H 1 25 GLU H 2.649 . 3.526 2.475 2.286 2.583 . 0 0 "[ . 1]" 1
237 1 36 TRP H 1 37 THR H 3.545 . 5.116 4.462 4.388 4.552 . 0 0 "[ . 1]" 1
238 1 35 ARG H 1 36 TRP H 2.837 . 3.843 2.964 2.673 3.209 . 0 0 "[ . 1]" 1
239 1 10 GLN H 1 14 GLY H 3.858 . 5.719 5.243 4.834 5.645 . 0 0 "[ . 1]" 1
240 1 14 GLY H 1 15 HIS H 3.406 . 4.856 4.282 4.262 4.303 . 0 0 "[ . 1]" 1
241 1 36 TRP HD1 1 37 THR H 3.833 . 5.669 5.295 5.159 5.426 . 0 0 "[ . 1]" 1
242 1 36 TRP HE3 1 37 THR H 3.639 . 5.294 4.709 4.537 4.844 . 0 0 "[ . 1]" 1
243 1 35 ARG H 1 36 TRP HD1 3.900 . 5.802 2.612 2.129 3.006 . 0 0 "[ . 1]" 1
244 1 10 GLN H 1 12 LYS H 3.509 . 5.048 5.024 4.958 5.064 0.016 3 0 "[ . 1]" 1
245 1 9 CYS H 1 12 LYS H 4.218 . 6.442 5.448 5.233 5.743 . 0 0 "[ . 1]" 1
246 1 15 HIS H 1 15 HIS HD2 2.792 . 3.766 1.958 1.797 2.086 0.021 7 0 "[ . 1]" 1
247 1 28 LEU H 1 29 GLY H 3.475 . 4.985 4.445 4.339 4.515 . 0 0 "[ . 1]" 1
248 1 6 PHE H 1 7 HIS H 2.688 . 3.591 4.328 4.316 4.336 0.745 6 10 [*****+***-] 1
249 1 34 LYS H 1 36 TRP H 4.282 . 6.574 3.075 2.854 3.917 . 0 0 "[ . 1]" 1
250 1 29 GLY H 1 30 LEU H 3.653 . 5.321 4.313 4.253 4.341 . 0 0 "[ . 1]" 1
251 1 21 ILE H 1 22 ARG H 3.372 . 4.794 4.503 4.433 4.551 . 0 0 "[ . 1]" 1
252 1 34 LYS H 1 36 TRP HD1 3.681 . 5.375 2.224 1.986 2.554 0.001 7 0 "[ . 1]" 1
253 1 7 HIS H 1 7 HIS HD2 3.420 . 4.882 4.606 4.399 4.835 . 0 0 "[ . 1]" 1
254 1 33 LEU H 1 34 LYS H 3.351 . 4.754 3.427 3.172 4.201 . 0 0 "[ . 1]" 1
255 1 27 GLN HE21 1 28 LEU H 3.944 . 5.889 4.279 4.033 4.533 . 0 0 "[ . 1]" 1
256 1 6 PHE QD 1 7 HIS H 3.781 . 5.568 3.532 3.373 3.725 . 0 0 "[ . 1]" 1
257 1 11 ASP H 1 12 LYS H 2.517 . 3.309 2.419 2.122 2.530 . 0 0 "[ . 1]" 1
258 1 6 PHE H 1 6 PHE QE 3.953 . 5.907 4.378 4.290 4.536 . 0 0 "[ . 1]" 1
259 1 6 PHE H 1 6 PHE QD 3.044 . 4.202 2.896 2.688 3.181 . 0 0 "[ . 1]" 1
260 1 36 TRP H 1 36 TRP HE3 3.554 . 6.000 5.604 5.574 5.623 . 0 0 "[ . 1]" 1
261 1 14 GLY H 1 27 GLN HE21 4.052 . 6.104 3.225 3.127 3.471 . 0 0 "[ . 1]" 1
262 1 36 TRP H 1 36 TRP HD1 2.366 . 3.066 2.409 2.332 2.527 . 0 0 "[ . 1]" 1
263 1 12 LYS H 1 13 GLY H 2.419 . 3.151 2.107 1.917 2.220 . 0 0 "[ . 1]" 1
264 1 14 GLY H 1 27 GLN HE22 3.535 . 5.097 4.722 3.780 5.056 . 0 0 "[ . 1]" 1
265 1 36 TRP HH2 1 36 TRP HZ3 2.058 . 2.587 2.429 2.423 2.432 . 0 0 "[ . 1]" 1
266 1 36 TRP HA 1 36 TRP HE1 3.704 . 5.419 4.898 4.846 4.988 . 0 0 "[ . 1]" 1
267 1 33 LEU HA 1 36 TRP HE1 4.031 . 6.062 5.775 5.616 5.929 . 0 0 "[ . 1]" 1
268 1 18 SER HB2 1 36 TRP HE1 3.140 . 4.372 3.678 3.615 3.750 . 0 0 "[ . 1]" 1
269 1 19 PRO HD2 1 36 TRP HE1 2.942 . 4.024 3.233 3.106 3.396 . 0 0 "[ . 1]" 1
270 1 18 SER HB3 1 36 TRP HE1 3.480 . 4.994 3.875 3.686 4.070 . 0 0 "[ . 1]" 1
271 1 19 PRO HD3 1 36 TRP HE1 2.896 . 3.944 3.735 3.602 3.892 . 0 0 "[ . 1]" 1
272 1 18 SER HA 1 36 TRP HE1 3.141 . 4.374 3.565 3.495 3.654 . 0 0 "[ . 1]" 1
273 1 33 LEU HG 1 36 TRP HE1 3.892 . 5.786 5.601 5.226 5.744 . 0 0 "[ . 1]" 1
274 1 33 LEU HB3 1 36 TRP HE1 2.855 . 3.874 3.219 2.999 3.353 . 0 0 "[ . 1]" 1
275 1 33 LEU MD2 1 36 TRP HE1 3.312 . 4.683 4.365 4.289 4.439 . 0 0 "[ . 1]" 1
276 1 33 LEU HB2 1 36 TRP HE1 3.098 . 4.298 4.098 3.739 4.288 . 0 0 "[ . 1]" 1
277 1 33 LEU MD1 1 36 TRP HE1 2.625 . 3.486 3.084 2.792 3.232 . 0 0 "[ . 1]" 1
278 1 17 VAL H 1 17 VAL MG2 2.182 . 2.777 2.207 2.154 2.259 . 0 0 "[ . 1]" 1
279 1 17 VAL H 1 37 THR MG 3.706 . 5.423 4.375 4.268 4.518 . 0 0 "[ . 1]" 1
280 1 16 CYS H 1 17 VAL MG1 3.341 . 4.737 4.482 4.435 4.539 . 0 0 "[ . 1]" 1
281 1 17 VAL MG2 1 38 CYS H 3.579 . 5.180 4.539 4.380 4.645 . 0 0 "[ . 1]" 1
282 1 37 THR MG 1 39 CYS H 3.605 . 5.230 3.615 3.107 4.022 . 0 0 "[ . 1]" 1
283 1 37 THR MG 1 38 CYS H 2.444 . 3.190 2.356 2.249 2.503 . 0 0 "[ . 1]" 1
284 1 17 VAL MG2 1 37 THR H 2.694 . 3.601 2.749 2.616 2.914 . 0 0 "[ . 1]" 1
285 1 21 ILE MG 1 23 CYS H 3.564 . 5.152 4.393 4.211 4.609 . 0 0 "[ . 1]" 1
286 1 23 CYS H 1 37 THR MG 3.515 . 6.000 5.983 5.702 6.081 0.081 6 0 "[ . 1]" 1
287 1 37 THR H 1 37 THR MG 2.978 . 4.087 3.722 3.644 3.768 . 0 0 "[ . 1]" 1
288 1 37 THR MG 1 40 LYS H 4.030 . 6.061 4.746 4.581 4.922 . 0 0 "[ . 1]" 1
289 1 2 THR H 1 2 THR MG 4.121 . 6.244 3.828 3.753 4.032 . 0 0 "[ . 1]" 1
290 1 8 THR MG 1 9 CYS H 2.967 . 4.067 3.182 3.061 3.285 . 0 0 "[ . 1]" 1
291 1 22 ARG HG3 1 23 CYS H 3.430 . 4.901 4.264 3.486 4.849 . 0 0 "[ . 1]" 1
292 1 30 LEU QB 1 31 CYS H 2.983 . 4.095 3.647 3.399 3.807 . 0 0 "[ . 1]" 1
293 1 24 LEU H 1 24 LEU HB3 2.887 . 3.929 3.478 3.323 3.571 . 0 0 "[ . 1]" 1
294 1 22 ARG HG2 1 23 CYS H 3.230 . 4.534 3.377 2.874 4.974 0.440 5 0 "[ . 1]" 1
295 1 34 LYS HG3 1 35 ARG H 3.777 . 5.560 4.132 3.961 4.238 . 0 0 "[ . 1]" 1
296 1 9 CYS H 1 30 LEU QB 3.617 . 4.731 4.041 3.474 4.261 . 0 0 "[ . 1]" 1
297 1 34 LYS HG2 1 35 ARG H 3.732 . 5.473 4.230 4.059 4.485 . 0 0 "[ . 1]" 1
298 1 24 LEU H 1 24 LEU HB2 2.304 . 2.968 2.236 2.179 2.320 . 0 0 "[ . 1]" 1
299 1 40 LYS H 1 40 LYS HB3 2.471 . 3.234 2.610 2.445 2.844 . 0 0 "[ . 1]" 1
300 1 40 LYS H 1 40 LYS HB2 2.497 . 3.277 2.509 2.382 2.684 . 0 0 "[ . 1]" 1
301 1 26 GLU H 1 26 GLU HB2 2.390 . 3.104 2.451 2.407 2.512 . 0 0 "[ . 1]" 1
302 1 27 GLN QG 1 40 LYS H 4.134 . 6.270 4.080 3.166 4.353 . 0 0 "[ . 1]" 1
303 1 26 GLU H 1 26 GLU HB3 2.809 . 3.795 3.607 3.597 3.630 . 0 0 "[ . 1]" 1
304 1 35 ARG H 1 35 ARG HB3 3.210 . 4.498 3.179 2.290 3.601 . 0 0 "[ . 1]" 1
305 1 10 GLN H 1 10 GLN HB2 2.477 . 3.244 3.542 3.419 3.577 0.333 3 0 "[ . 1]" 1
306 1 10 GLN H 1 10 GLN HB3 2.354 . 6.000 2.945 2.856 3.146 . 0 0 "[ . 1]" 1
307 1 26 GLU HB3 1 40 LYS H 3.835 . 5.674 5.627 5.520 5.722 0.048 7 0 "[ . 1]" 1
308 1 10 GLN HG3 1 16 CYS H 3.958 . 5.916 5.382 4.480 5.766 . 0 0 "[ . 1]" 1
309 1 10 GLN HG2 1 16 CYS H 4.149 . 6.301 3.970 2.952 4.299 . 0 0 "[ . 1]" 1
310 1 18 SER HA 1 37 THR H 3.783 . 5.572 4.180 4.035 4.262 . 0 0 "[ . 1]" 1
311 1 25 GLU HG2 1 40 LYS H 3.895 . 5.791 4.685 4.011 5.497 . 0 0 "[ . 1]" 1
312 1 26 GLU H 1 26 GLU HG2 3.151 . 4.392 3.577 3.476 3.669 . 0 0 "[ . 1]" 1
313 1 26 GLU HG3 1 40 LYS H 4.228 . 6.462 5.852 5.698 5.949 . 0 0 "[ . 1]" 1
314 1 26 GLU H 1 26 GLU HG3 2.902 . 3.955 2.414 2.325 2.494 . 0 0 "[ . 1]" 1
315 1 35 ARG H 1 35 ARG HB2 3.108 . 4.315 2.813 2.203 3.760 . 0 0 "[ . 1]" 1
316 1 10 GLN H 1 10 GLN HG3 2.916 . 3.979 2.817 2.211 3.039 . 0 0 "[ . 1]" 1
317 1 39 CYS H 1 39 CYS HB2 2.563 . 3.384 2.403 2.172 2.625 . 0 0 "[ . 1]" 1
318 1 9 CYS HB3 1 16 CYS H 4.330 . 6.674 4.330 4.137 4.457 . 0 0 "[ . 1]" 1
319 1 39 CYS HB2 1 40 LYS H 3.174 . 4.433 4.429 4.386 4.469 0.036 10 0 "[ . 1]" 1
320 1 23 CYS HB3 1 24 LEU H 3.328 . 4.712 3.714 3.177 4.012 . 0 0 "[ . 1]" 1
321 1 23 CYS H 1 23 CYS HB3 2.709 . 3.627 2.995 2.648 3.643 0.016 4 0 "[ . 1]" 1
322 1 19 PRO HD3 1 37 THR H 3.802 . 5.608 4.336 4.156 4.531 . 0 0 "[ . 1]" 1
323 1 9 CYS HB3 1 10 GLN H 2.767 . 3.724 2.788 2.016 3.045 . 0 0 "[ . 1]" 1
324 1 9 CYS H 1 9 CYS HB3 2.360 . 6.000 3.374 2.366 3.637 . 0 0 "[ . 1]" 1
325 1 10 GLN H 1 10 GLN HG2 3.258 . 4.585 1.649 1.563 1.744 0.368 7 0 "[ . 1]" 1
326 1 17 VAL H 1 21 ILE HB 4.438 . 6.900 5.492 5.383 5.578 . 0 0 "[ . 1]" 1
327 1 17 VAL H 1 17 VAL HB 2.982 . 4.093 3.813 3.798 3.829 . 0 0 "[ . 1]" 1
328 1 17 VAL H 1 39 CYS HB2 3.830 . 5.663 3.937 3.814 4.060 . 0 0 "[ . 1]" 1
329 1 9 CYS HB2 1 17 VAL H 4.540 . 7.116 6.468 6.095 6.756 . 0 0 "[ . 1]" 1
330 1 38 CYS HB2 1 39 CYS H 3.238 . 4.549 4.369 4.184 4.606 0.057 2 0 "[ . 1]" 1
331 1 9 CYS HB2 1 16 CYS H 4.125 . 6.252 4.379 3.983 5.318 . 0 0 "[ . 1]" 1
332 1 15 HIS HB3 1 16 CYS H 2.894 . 6.000 3.891 3.827 3.946 . 0 0 "[ . 1]" 1
333 1 38 CYS H 1 38 CYS HB2 2.486 . 3.258 2.604 2.563 2.671 . 0 0 "[ . 1]" 1
334 1 31 CYS H 1 31 CYS QB 2.637 . 3.506 2.523 2.451 2.642 . 0 0 "[ . 1]" 1
335 1 31 CYS QB 1 37 THR H 4.404 . 6.828 5.010 4.709 5.207 . 0 0 "[ . 1]" 1
336 1 17 VAL H 1 36 TRP HB3 3.413 . 4.869 3.513 3.383 3.578 . 0 0 "[ . 1]" 1
337 1 16 CYS HB2 1 17 VAL H 3.088 . 4.280 4.157 4.122 4.255 . 0 0 "[ . 1]" 1
338 1 39 CYS H 1 39 CYS HB3 2.584 . 3.419 3.093 2.801 3.530 0.111 1 0 "[ . 1]" 1
339 1 16 CYS H 1 16 CYS HB2 2.726 . 3.655 2.454 2.404 2.488 . 0 0 "[ . 1]" 1
340 1 14 GLY HA2 1 39 CYS H 4.010 . 6.020 5.795 5.616 5.940 . 0 0 "[ . 1]" 1
341 1 16 CYS HB3 1 17 VAL H 3.503 . 5.037 3.239 3.172 3.352 . 0 0 "[ . 1]" 1
342 1 16 CYS H 1 16 CYS HB3 2.365 . 6.000 3.589 3.580 3.597 . 0 0 "[ . 1]" 1
343 1 38 CYS HB3 1 39 CYS H 3.799 . 5.603 3.915 3.536 4.396 . 0 0 "[ . 1]" 1
344 1 38 CYS H 1 38 CYS HB3 2.470 . 6.000 3.427 2.624 3.648 . 0 0 "[ . 1]" 1
345 1 16 CYS H 1 31 CYS QB 4.323 . 6.659 5.420 5.311 5.519 . 0 0 "[ . 1]" 1
346 1 39 CYS HB3 1 40 LYS H 2.915 . 3.977 3.852 3.467 4.073 0.096 10 0 "[ . 1]" 1
347 1 36 TRP HB3 1 37 THR H 2.659 . 3.543 3.340 3.075 3.511 . 0 0 "[ . 1]" 1
348 1 36 TRP HB2 1 37 THR H 2.881 . 6.000 4.319 4.190 4.391 . 0 0 "[ . 1]" 1
349 1 23 CYS H 1 23 CYS HB2 2.438 . 3.181 2.596 2.360 2.926 . 0 0 "[ . 1]" 1
350 1 17 VAL H 1 37 THR HB 3.375 . 4.798 3.955 3.714 4.349 . 0 0 "[ . 1]" 1
351 1 37 THR HB 1 38 CYS H 2.821 . 6.000 4.078 3.985 4.162 . 0 0 "[ . 1]" 1
352 1 31 CYS H 1 32 PRO HD3 4.302 . 6.616 4.460 4.184 4.557 . 0 0 "[ . 1]" 1
353 1 31 CYS H 1 32 PRO HD2 4.305 . 6.622 5.237 4.997 5.363 . 0 0 "[ . 1]" 1
354 1 37 THR H 1 37 THR HB 2.448 . 3.197 2.356 2.265 2.465 . 0 0 "[ . 1]" 1
355 1 35 ARG H 1 35 ARG HA 2.224 . 2.843 2.885 2.838 2.927 0.084 10 0 "[ . 1]" 1
356 1 34 LYS HA 1 35 ARG H 2.128 . 6.000 3.317 3.125 3.508 . 0 0 "[ . 1]" 1
357 1 24 LEU H 1 42 ILE HA 3.095 . 4.292 3.019 2.627 3.398 . 0 0 "[ . 1]" 1
358 1 9 CYS H 1 29 GLY HA3 3.346 . 4.745 4.127 3.990 4.491 . 0 0 "[ . 1]" 1
359 1 9 CYS H 1 29 GLY HA2 3.675 . 5.363 5.198 4.841 5.315 . 0 0 "[ . 1]" 1
360 1 9 CYS H 1 9 CYS HA 2.667 . 3.556 2.914 2.904 2.921 . 0 0 "[ . 1]" 1
361 1 10 GLN H 1 10 GLN HA 2.462 . 3.219 2.872 2.856 2.888 . 0 0 "[ . 1]" 1
362 1 24 LEU H 1 24 LEU HA 2.775 . 3.737 2.901 2.860 2.931 . 0 0 "[ . 1]" 1
363 1 22 ARG HA 1 23 CYS H 2.023 . 2.534 2.162 2.136 2.210 . 0 0 "[ . 1]" 1
364 1 40 LYS H 1 40 LYS HA 2.666 . 3.554 2.868 2.839 2.887 . 0 0 "[ . 1]" 1
365 1 1 ASP HA 1 2 THR H 2.969 . 4.071 2.449 2.107 3.432 . 0 0 "[ . 1]" 1
366 1 37 THR HA 1 38 CYS H 2.062 . 2.594 2.296 2.264 2.354 . 0 0 "[ . 1]" 1
367 1 30 LEU HA 1 31 CYS H 2.185 . 2.782 2.135 2.036 2.205 . 0 0 "[ . 1]" 1
368 1 37 THR H 1 37 THR HA 2.895 . 3.943 2.908 2.895 2.929 . 0 0 "[ . 1]" 1
369 1 25 GLU HA 1 26 GLU H 2.064 . 2.596 2.159 2.133 2.213 . 0 0 "[ . 1]" 1
370 1 14 GLY HA3 1 15 HIS H 2.388 . 3.101 2.380 2.330 2.429 . 0 0 "[ . 1]" 1
371 1 15 HIS H 1 41 GLU HA 3.270 . 6.000 4.539 4.286 4.610 . 0 0 "[ . 1]" 1
372 1 8 THR HA 1 9 CYS H 2.200 . 2.805 2.679 2.591 2.727 . 0 0 "[ . 1]" 1
373 1 8 THR HB 1 9 CYS H 2.471 . 3.234 1.860 1.808 1.993 . 0 0 "[ . 1]" 1
374 1 8 THR HB 1 10 GLN H 2.655 . 3.536 3.495 3.357 3.559 0.023 3 0 "[ . 1]" 1
375 1 17 VAL H 1 37 THR HA 4.167 . 6.338 4.733 4.646 4.881 . 0 0 "[ . 1]" 1
376 1 17 VAL H 1 17 VAL HA 2.732 . 3.665 2.944 2.942 2.948 . 0 0 "[ . 1]" 1
377 1 17 VAL H 1 38 CYS HA 3.904 . 5.809 3.577 3.397 3.745 . 0 0 "[ . 1]" 1
378 1 26 GLU HA 1 39 CYS H 3.990 . 5.980 5.287 5.016 5.491 . 0 0 "[ . 1]" 1
379 1 15 HIS HA 1 16 CYS H 2.067 . 2.601 2.381 2.319 2.436 . 0 0 "[ . 1]" 1
380 1 38 CYS HA 1 39 CYS H 2.724 . 3.651 2.208 2.170 2.255 . 0 0 "[ . 1]" 1
381 1 26 GLU HA 1 40 LYS H 2.663 . 3.549 3.263 3.160 3.390 . 0 0 "[ . 1]" 1
382 1 23 CYS H 1 23 CYS HA 2.652 . 3.531 2.924 2.895 2.937 . 0 0 "[ . 1]" 1
383 1 39 CYS H 1 39 CYS HA 2.886 . 3.927 2.911 2.881 2.939 . 0 0 "[ . 1]" 1
384 1 38 CYS H 1 39 CYS HA 4.186 . 6.377 4.876 4.768 4.986 . 0 0 "[ . 1]" 1
385 1 39 CYS HA 1 40 LYS H 2.085 . 2.629 2.085 2.056 2.113 . 0 0 "[ . 1]" 1
386 1 26 GLU H 1 39 CYS HA 3.776 . 5.558 5.098 4.890 5.241 . 0 0 "[ . 1]" 1
387 1 15 HIS H 1 38 CYS HA 2.462 . 6.000 5.350 5.042 5.551 . 0 0 "[ . 1]" 1
388 1 7 HIS HA 1 7 HIS HE1 3.329 . 6.000 5.673 5.581 5.785 . 0 0 "[ . 1]" 1
389 1 15 HIS H 1 39 CYS HA 3.900 . 5.802 5.569 5.365 5.777 . 0 0 "[ . 1]" 1
390 1 16 CYS HA 1 17 VAL H 2.079 . 2.620 2.155 2.133 2.171 . 0 0 "[ . 1]" 1
391 1 16 CYS HA 1 39 CYS H 3.058 . 4.227 3.202 2.973 3.585 . 0 0 "[ . 1]" 1
392 1 16 CYS H 1 16 CYS HA 2.705 . 3.620 2.872 2.864 2.876 . 0 0 "[ . 1]" 1
393 1 16 CYS HA 1 38 CYS H 4.060 . 6.121 4.848 4.750 5.179 . 0 0 "[ . 1]" 1
394 1 16 CYS HA 1 37 THR H 3.551 . 5.128 4.858 4.601 5.012 . 0 0 "[ . 1]" 1
395 1 15 HIS H 1 16 CYS HA 4.074 . 6.149 5.381 5.240 5.471 . 0 0 "[ . 1]" 1
396 1 27 GLN H 1 39 CYS HA 2.836 . 3.841 3.088 2.963 3.289 . 0 0 "[ . 1]" 1
397 1 7 HIS H 1 7 HIS HA 2.648 . 3.525 2.898 2.884 2.915 . 0 0 "[ . 1]" 1
398 1 7 HIS HA 1 30 LEU H 4.317 . 6.647 5.412 5.205 5.599 . 0 0 "[ . 1]" 1
399 1 27 GLN HA 1 28 LEU H 2.160 . 2.743 2.365 2.289 2.519 . 0 0 "[ . 1]" 1
400 1 26 GLU HA 1 27 GLN H 2.131 . 2.699 2.146 2.088 2.221 . 0 0 "[ . 1]" 1
401 1 22 ARG H 1 23 CYS HA 4.157 . 6.317 5.313 5.256 5.406 . 0 0 "[ . 1]" 1
402 1 6 PHE HA 1 7 HIS H 2.294 . 6.000 2.663 2.576 2.752 . 0 0 "[ . 1]" 1
403 1 33 LEU HA 1 34 LYS H 1.908 . 6.000 3.415 3.002 3.533 . 0 0 "[ . 1]" 1
404 1 30 LEU H 1 30 LEU HA 2.635 . 3.503 2.928 2.887 2.938 . 0 0 "[ . 1]" 1
405 1 8 THR HB 1 30 LEU H 3.647 . 5.310 4.219 4.111 4.490 . 0 0 "[ . 1]" 1
406 1 5 ASP H 1 5 ASP HA 2.611 . 3.463 2.899 2.790 2.930 . 0 0 "[ . 1]" 1
407 1 2 THR HA 1 3 THR H 2.556 . 3.373 3.390 3.035 3.520 0.147 7 0 "[ . 1]" 1
408 1 28 LEU H 1 28 LEU HA 2.506 . 3.291 2.917 2.891 2.932 . 0 0 "[ . 1]" 1
409 1 7 HIS H 1 8 THR HA 3.788 . 5.582 5.058 4.977 5.216 . 0 0 "[ . 1]" 1
410 1 8 THR HA 1 30 LEU H 2.452 . 3.204 2.195 2.030 2.793 . 0 0 "[ . 1]" 1
411 1 4 SER H 1 4 SER HA 2.214 . 2.827 2.845 2.786 2.871 0.044 9 0 "[ . 1]" 1
412 1 4 SER HA 1 5 ASP H 2.314 . 2.984 2.173 2.112 2.213 . 0 0 "[ . 1]" 1
413 1 11 ASP H 1 11 ASP HA 2.550 . 3.363 2.687 2.658 2.720 . 0 0 "[ . 1]" 1
414 1 22 ARG H 1 22 ARG HA 2.441 . 3.186 2.842 2.823 2.873 . 0 0 "[ . 1]" 1
415 1 3 THR HB 1 5 ASP H 4.145 . 6.293 6.208 6.080 6.477 0.184 6 0 "[ . 1]" 1
416 1 10 GLN HA 1 11 ASP H 3.028 . 4.174 2.085 2.056 2.110 . 0 0 "[ . 1]" 1
417 1 9 CYS HA 1 30 LEU H 3.417 . 4.876 3.447 2.812 3.676 . 0 0 "[ . 1]" 1
418 1 34 LYS H 1 34 LYS HA 2.336 . 3.018 2.927 2.863 2.942 . 0 0 "[ . 1]" 1
419 1 21 ILE HA 1 22 ARG H 1.967 . 2.450 2.213 2.162 2.280 . 0 0 "[ . 1]" 1
420 1 29 GLY HA3 1 30 LEU H 2.540 . 3.347 2.493 2.422 2.918 . 0 0 "[ . 1]" 1
421 1 7 HIS H 1 29 GLY HA2 4.406 . 6.833 5.630 5.240 5.916 . 0 0 "[ . 1]" 1
422 1 4 SER H 1 4 SER HB3 2.845 . 3.857 3.420 2.517 3.616 . 0 0 "[ . 1]" 1
423 1 4 SER H 1 4 SER HB2 2.911 . 3.970 2.672 2.479 3.567 . 0 0 "[ . 1]" 1
424 1 29 GLY HA2 1 30 LEU H 2.322 . 2.996 2.667 2.305 2.731 . 0 0 "[ . 1]" 1
425 1 4 SER HB3 1 5 ASP H 3.235 . 4.543 4.022 3.842 4.434 . 0 0 "[ . 1]" 1
426 1 4 SER HB2 1 5 ASP H 3.284 . 4.632 4.374 3.948 4.486 . 0 0 "[ . 1]" 1
427 1 4 SER HB2 1 6 PHE H 4.142 . 6.287 5.811 5.027 6.486 0.199 10 0 "[ . 1]" 1
428 1 4 SER HB3 1 6 PHE H 4.279 . 6.567 5.340 4.952 6.478 . 0 0 "[ . 1]" 1
429 1 29 GLY H 1 29 GLY HA2 2.747 . 3.690 2.836 2.819 2.846 . 0 0 "[ . 1]" 1
430 1 27 GLN H 1 38 CYS HB3 3.503 . 5.037 4.365 3.395 4.758 . 0 0 "[ . 1]" 1
431 1 10 GLN H 1 15 HIS HB2 4.291 . 6.593 5.684 5.421 5.942 . 0 0 "[ . 1]" 1
432 1 35 ARG H 1 36 TRP HB2 4.229 . 6.465 4.853 4.460 5.172 . 0 0 "[ . 1]" 1
433 1 15 HIS H 1 15 HIS HB2 2.695 . 6.000 3.633 3.608 3.650 . 0 0 "[ . 1]" 1
434 1 14 GLY HA2 1 15 HIS H 2.373 . 3.077 2.742 2.619 2.785 . 0 0 "[ . 1]" 1
435 1 7 HIS H 1 7 HIS QB 2.864 . 3.366 2.376 2.278 2.493 . 0 0 "[ . 1]" 1
436 1 6 PHE QB 1 7 HIS H 3.363 . 4.643 1.973 1.878 2.115 0.059 8 0 "[ . 1]" 1
437 1 34 LYS H 1 36 TRP HB2 3.954 . 5.908 3.366 2.998 4.241 . 0 0 "[ . 1]" 1
438 1 7 HIS QB 1 30 LEU H 4.356 . 6.728 4.467 4.209 4.682 . 0 0 "[ . 1]" 1
439 1 6 PHE H 1 6 PHE QB 2.763 . 3.195 3.428 3.366 3.455 0.260 4 0 "[ . 1]" 1
440 1 10 GLN H 1 11 ASP QB 3.799 . 5.603 4.307 4.239 4.352 . 0 0 "[ . 1]" 1
441 1 9 CYS H 1 11 ASP QB 3.596 . 5.212 4.453 4.298 4.548 . 0 0 "[ . 1]" 1
442 1 9 CYS HB2 1 10 GLN H 2.358 . 3.053 2.342 2.002 3.549 0.496 2 0 "[ . 1]" 1
443 1 9 CYS H 1 9 CYS HB2 2.427 . 3.163 2.501 2.385 2.890 . 0 0 "[ . 1]" 1
444 1 15 HIS H 1 15 HIS HB3 2.595 . 3.437 2.576 2.499 2.694 . 0 0 "[ . 1]" 1
445 1 27 GLN H 1 38 CYS HB2 3.841 . 5.685 3.651 3.212 5.027 . 0 0 "[ . 1]" 1
446 1 1 ASP QB 1 3 THR H 4.245 . 6.498 2.796 2.312 3.276 . 0 0 "[ . 1]" 1
447 1 9 CYS HB2 1 30 LEU H 3.859 . 5.721 4.331 2.815 4.732 . 0 0 "[ . 1]" 1
448 1 30 LEU H 1 38 CYS HB2 4.137 . 6.277 5.911 4.648 6.303 0.026 8 0 "[ . 1]" 1
449 1 11 ASP H 1 11 ASP QB 2.365 . 3.064 3.133 3.107 3.167 0.103 5 0 "[ . 1]" 1
450 1 5 ASP H 1 6 PHE QB 4.208 . 6.421 4.147 3.841 5.108 . 0 0 "[ . 1]" 1
451 1 27 GLN H 1 39 CYS HB2 4.404 . 6.828 5.528 5.290 5.793 . 0 0 "[ . 1]" 1
452 1 9 CYS HB3 1 30 LEU H 3.598 . 5.216 4.918 4.050 5.144 . 0 0 "[ . 1]" 1
453 1 4 SER H 1 5 ASP HB2 4.407 . 6.835 5.175 4.939 6.008 . 0 0 "[ . 1]" 1
454 1 5 ASP H 1 5 ASP HB2 2.561 . 3.381 3.231 2.431 3.468 0.087 10 0 "[ . 1]" 1
455 1 5 ASP H 1 5 ASP HB3 2.628 . 3.491 2.826 2.576 2.956 . 0 0 "[ . 1]" 1
456 1 5 ASP HB3 1 6 PHE H 3.243 . 4.558 4.419 4.378 4.478 . 0 0 "[ . 1]" 1
457 1 10 GLN HG2 1 11 ASP H 3.543 . 5.112 5.093 5.048 5.212 0.100 1 0 "[ . 1]" 1
458 1 5 ASP HB2 1 6 PHE H 3.054 . 4.220 4.481 4.393 4.516 0.296 5 0 "[ . 1]" 1
459 1 10 GLN HG2 1 15 HIS H 4.157 . 6.318 6.166 5.151 6.321 0.003 7 0 "[ . 1]" 1
460 1 26 GLU HG3 1 27 GLN H 3.568 . 5.159 4.959 4.864 5.107 . 0 0 "[ . 1]" 1
461 1 26 GLU HG2 1 27 GLN H 3.406 . 4.856 4.137 3.953 4.383 . 0 0 "[ . 1]" 1
462 1 10 GLN HG3 1 11 ASP H 3.803 . 5.611 4.898 4.789 4.997 . 0 0 "[ . 1]" 1
463 1 41 GLU HG2 1 42 ILE H 3.445 . 4.929 4.222 2.850 5.053 0.124 4 0 "[ . 1]" 1
464 1 35 ARG HB2 1 36 TRP H 3.239 . 4.551 4.356 4.164 4.616 0.065 4 0 "[ . 1]" 1
465 1 27 GLN QG 1 28 LEU H 2.986 . 4.100 3.081 2.673 3.714 . 0 0 "[ . 1]" 1
466 1 26 GLU HB3 1 27 GLN H 2.736 . 3.672 3.015 2.814 3.233 . 0 0 "[ . 1]" 1
467 1 10 GLN HB3 1 15 HIS H 3.986 . 5.972 4.128 3.718 4.564 . 0 0 "[ . 1]" 1
468 1 21 ILE HB 1 22 ARG H 3.065 . 4.239 3.966 3.824 4.090 . 0 0 "[ . 1]" 1
469 1 10 GLN HB3 1 11 ASP H 2.910 . 3.969 4.225 4.061 4.284 0.315 5 0 "[ . 1]" 1
470 1 10 GLN HB2 1 11 ASP H 2.818 . 3.811 3.733 3.677 3.770 . 0 0 "[ . 1]" 1
471 1 41 GLU QB 1 42 ILE H 2.986 . 4.100 2.707 2.311 3.563 . 0 0 "[ . 1]" 1
472 1 41 GLU H 1 41 GLU QB 3.117 . 4.046 3.296 2.991 3.423 . 0 0 "[ . 1]" 1
473 1 12 LYS QB 1 13 GLY H 3.408 . 4.648 2.644 2.516 2.771 . 0 0 "[ . 1]" 1
474 1 28 LEU H 1 28 LEU HG 2.241 . 2.869 2.522 1.829 3.757 0.888 7 2 "[ - + 1]" 1
475 1 34 LYS H 1 34 LYS HG2 2.640 . 3.511 3.743 2.736 3.938 0.427 10 0 "[ . 1]" 1
476 1 34 LYS H 1 34 LYS HG3 2.860 . 3.882 3.042 2.425 3.960 0.078 2 0 "[ . 1]" 1
477 1 28 LEU H 1 28 LEU HB3 2.656 . 3.538 2.989 2.586 3.324 . 0 0 "[ . 1]" 1
478 1 7 HIS H 1 30 LEU QB 3.736 . 5.481 4.474 3.792 4.735 . 0 0 "[ . 1]" 1
479 1 22 ARG H 1 22 ARG HG2 3.147 . 4.385 4.161 2.171 4.413 0.028 8 0 "[ . 1]" 1
480 1 30 LEU H 1 30 LEU QB 2.309 . 2.976 2.330 2.216 2.434 . 0 0 "[ . 1]" 1
481 1 22 ARG H 1 22 ARG HG3 3.265 . 4.597 4.409 3.233 4.580 . 0 0 "[ . 1]" 1
482 1 42 ILE H 1 42 ILE HB 2.723 . 6.000 3.847 3.745 3.897 . 0 0 "[ . 1]" 1
483 1 11 ASP H 1 12 LYS QB 3.888 . 5.777 4.541 4.462 4.681 . 0 0 "[ . 1]" 1
484 1 40 LYS HB2 1 41 GLU H 3.090 . 6.000 4.539 4.464 4.572 . 0 0 "[ . 1]" 1
485 1 14 GLY H 1 40 LYS HB2 3.223 . 4.522 4.194 3.563 4.501 . 0 0 "[ . 1]" 1
486 1 28 LEU HB2 1 29 GLY H 3.155 . 4.400 3.128 2.778 3.370 . 0 0 "[ . 1]" 1
487 1 28 LEU HB3 1 29 GLY H 2.913 . 3.973 4.006 3.658 4.328 0.355 6 0 "[ . 1]" 1
488 1 15 HIS HE1 1 42 ILE HG13 3.304 . 4.669 4.237 3.345 5.386 0.717 6 3 "[ *+ -1]" 1
489 1 7 HIS H 1 8 THR MG 3.391 . 4.828 5.038 4.867 5.467 0.639 2 1 "[ + . 1]" 1
490 1 8 THR MG 1 30 LEU H 3.387 . 4.821 3.945 3.752 4.458 . 0 0 "[ . 1]" 1
491 1 27 GLN H 1 37 THR MG 3.711 . 5.432 3.093 2.985 3.253 . 0 0 "[ . 1]" 1
492 1 21 ILE HG13 1 22 ARG H 3.664 . 5.342 5.200 5.023 5.336 . 0 0 "[ . 1]" 1
493 1 21 ILE HG12 1 22 ARG H 3.775 . 5.556 5.040 4.961 5.103 . 0 0 "[ . 1]" 1
494 1 3 THR MG 1 4 SER H 2.887 . 3.929 3.467 3.034 3.936 0.007 9 0 "[ . 1]" 1
495 1 3 THR MG 1 5 ASP H 3.862 . 5.726 3.707 3.485 4.280 . 0 0 "[ . 1]" 1
496 1 11 ASP H 1 12 LYS QG 4.237 . 6.481 4.938 4.149 5.507 . 0 0 "[ . 1]" 1
497 1 42 ILE H 1 42 ILE HG13 2.963 . 4.061 3.672 2.777 4.071 0.010 7 0 "[ . 1]" 1
498 1 12 LYS QG 1 13 GLY H 3.946 . 5.892 4.094 3.687 4.446 . 0 0 "[ . 1]" 1
499 1 24 LEU HB2 1 25 GLU H 3.049 . 4.211 2.626 2.513 2.882 . 0 0 "[ . 1]" 1
500 1 24 LEU HB3 1 25 GLU H 3.309 . 4.678 2.969 2.726 3.169 . 0 0 "[ . 1]" 1
501 1 15 HIS HE1 1 42 ILE HG12 3.899 . 5.799 5.106 4.468 5.552 . 0 0 "[ . 1]" 1
502 1 15 HIS HE1 1 17 VAL MG1 2.777 . 3.741 2.536 2.294 2.743 . 0 0 "[ . 1]" 1
503 1 15 HIS HE1 1 42 ILE MD 3.315 . 4.688 2.948 2.161 3.601 . 0 0 "[ . 1]" 1
504 1 28 LEU H 1 28 LEU QD 3.274 . 4.614 2.290 1.627 2.823 0.307 1 0 "[ . 1]" 1
505 1 33 LEU HB3 1 34 LYS H 2.538 . 3.343 2.006 1.636 2.263 0.097 9 0 "[ . 1]" 1
506 1 33 LEU HG 1 34 LYS H 3.468 . 4.971 4.353 4.289 4.512 . 0 0 "[ . 1]" 1
507 1 21 ILE MG 1 22 ARG H 2.360 . 3.056 2.359 2.138 2.557 . 0 0 "[ . 1]" 1
508 1 21 ILE MD 1 22 ARG H 3.226 . 4.527 3.627 3.546 3.669 . 0 0 "[ . 1]" 1
509 1 33 LEU MD2 1 34 LYS H 2.705 . 3.620 3.936 3.335 4.163 0.543 10 1 "[ . +]" 1
510 1 30 LEU H 1 30 LEU QD 2.841 . 3.850 2.882 2.537 3.746 . 0 0 "[ . 1]" 1
511 1 42 ILE H 1 42 ILE HG12 2.984 . 4.097 2.850 2.117 3.315 . 0 0 "[ . 1]" 1
512 1 42 ILE H 1 42 ILE MG 3.117 . 4.332 3.057 2.851 3.333 . 0 0 "[ . 1]" 1
513 1 33 LEU HB2 1 34 LYS H 3.046 . 4.206 2.157 2.029 2.874 . 0 0 "[ . 1]" 1
514 1 33 LEU MD1 1 34 LYS H 3.461 . 4.958 3.706 3.589 3.895 . 0 0 "[ . 1]" 1
515 1 33 LEU HB2 1 36 TRP H 3.676 . 5.365 4.027 3.851 4.191 . 0 0 "[ . 1]" 1
516 1 33 LEU MD1 1 36 TRP H 4.300 . 6.611 5.179 4.981 5.389 . 0 0 "[ . 1]" 1
517 1 33 LEU MD1 1 36 TRP HZ2 2.630 . 3.495 2.906 2.778 2.998 . 0 0 "[ . 1]" 1
518 1 33 LEU MD1 1 36 TRP HD1 3.043 . 4.201 3.934 3.820 4.010 . 0 0 "[ . 1]" 1
519 1 33 LEU MD1 1 36 TRP HH2 2.936 . 4.014 3.521 3.453 3.613 . 0 0 "[ . 1]" 1
520 1 33 LEU MD1 1 36 TRP HZ3 3.460 . 4.957 3.698 3.512 4.005 . 0 0 "[ . 1]" 1
521 1 33 LEU MD1 1 36 TRP HE3 3.526 . 5.080 3.384 3.134 3.799 . 0 0 "[ . 1]" 1
522 1 33 LEU HB2 1 36 TRP HZ2 4.402 . 6.824 5.465 5.266 5.553 . 0 0 "[ . 1]" 1
523 1 33 LEU HB2 1 36 TRP HD1 2.669 . 3.560 3.303 3.012 3.472 . 0 0 "[ . 1]" 1
524 1 33 LEU H 1 33 LEU HB2 2.661 . 3.546 3.051 2.986 3.134 . 0 0 "[ . 1]" 1
525 1 33 LEU HB2 1 36 TRP HE3 4.006 . 6.012 4.799 4.568 5.040 . 0 0 "[ . 1]" 1
526 1 33 LEU MD2 1 36 TRP HZ2 3.713 . 5.437 4.704 4.457 4.895 . 0 0 "[ . 1]" 1
527 1 33 LEU MD2 1 36 TRP HD1 3.499 . 5.030 5.083 4.994 5.129 0.099 3 0 "[ . 1]" 1
528 1 33 LEU H 1 33 LEU MD2 3.179 . 4.442 4.122 4.024 4.217 . 0 0 "[ . 1]" 1
529 1 21 ILE H 1 21 ILE MD 3.249 . 4.568 3.507 3.266 3.739 . 0 0 "[ . 1]" 1
530 1 21 ILE H 1 21 ILE MG 2.958 . 4.052 3.823 3.795 3.866 . 0 0 "[ . 1]" 1
531 1 17 VAL MG2 1 21 ILE H 3.139 . 4.371 3.891 3.571 4.122 . 0 0 "[ . 1]" 1
532 1 33 LEU HB3 1 36 TRP H 3.458 . 4.952 4.745 4.488 4.830 . 0 0 "[ . 1]" 1
533 1 20 LYS H 1 21 ILE MG 4.090 . 6.181 5.077 4.964 5.814 . 0 0 "[ . 1]" 1
534 1 20 LYS H 1 21 ILE MD 3.867 . 5.736 3.938 3.718 4.431 . 0 0 "[ . 1]" 1
535 1 18 SER H 1 21 ILE MD 3.146 . 4.383 3.660 3.464 3.782 . 0 0 "[ . 1]" 1
536 1 18 SER H 1 21 ILE MG 3.514 . 5.058 4.195 4.046 4.410 . 0 0 "[ . 1]" 1
537 1 33 LEU HB3 1 36 TRP HD1 2.588 . 3.425 3.248 3.083 3.398 . 0 0 "[ . 1]" 1
538 1 33 LEU H 1 33 LEU HB3 2.890 . 3.934 3.938 3.916 3.979 0.045 9 0 "[ . 1]" 1
539 1 15 HIS HD2 1 17 VAL MG1 2.534 . 3.336 3.372 3.304 3.457 0.121 5 0 "[ . 1]" 1
540 1 15 HIS HD2 1 42 ILE MD 3.323 . 4.703 3.179 2.727 3.758 . 0 0 "[ . 1]" 1
541 1 33 LEU H 1 33 LEU HG 2.693 . 3.600 3.900 3.793 3.991 0.391 7 0 "[ . 1]" 1
542 1 33 LEU HG 1 36 TRP HD1 3.745 . 5.498 5.604 5.325 5.727 0.229 1 0 "[ . 1]" 1
543 1 21 ILE H 1 21 ILE HG12 3.003 . 4.130 2.558 2.281 2.839 . 0 0 "[ . 1]" 1
544 1 21 ILE H 1 21 ILE HG13 2.725 . 3.653 3.936 3.735 4.138 0.485 9 0 "[ . 1]" 1
545 1 20 LYS H 1 21 ILE HG13 3.637 . 5.291 4.472 4.172 5.168 . 0 0 "[ . 1]" 1
546 1 20 LYS HB2 1 21 ILE H 3.262 . 4.592 4.433 4.273 4.618 0.026 9 0 "[ . 1]" 1
547 1 20 LYS H 1 20 LYS HB2 2.383 . 3.093 3.131 2.633 3.260 0.167 6 0 "[ . 1]" 1
548 1 18 SER H 1 21 ILE HG13 3.212 . 4.502 2.446 2.199 2.670 . 0 0 "[ . 1]" 1
549 1 18 SER H 1 21 ILE HG12 3.198 . 4.477 2.855 2.660 3.006 . 0 0 "[ . 1]" 1
550 1 3 THR MG 1 6 PHE QD 4.118 . 6.237 5.709 5.099 6.043 . 0 0 "[ . 1]" 1
551 1 6 PHE QE 1 8 THR MG 3.782 . 5.570 2.210 1.987 3.234 0.007 1 0 "[ . 1]" 1
552 1 6 PHE HZ 1 8 THR MG 3.566 . 5.155 4.176 3.908 5.096 . 0 0 "[ . 1]" 1
553 1 6 PHE QD 1 8 THR MG 3.729 . 5.467 2.468 2.159 3.336 . 0 0 "[ . 1]" 1
554 1 12 LYS QG 1 27 GLN HE21 4.025 . 6.050 4.728 3.966 5.366 . 0 0 "[ . 1]" 1
555 1 12 LYS H 1 12 LYS QG 2.812 . 3.800 2.860 2.300 3.361 . 0 0 "[ . 1]" 1
556 1 22 ARG HE 1 22 ARG HG3 3.823 . 5.650 3.151 2.447 3.761 . 0 0 "[ . 1]" 1
557 1 6 PHE QD 1 30 LEU QB 3.496 . 5.023 2.889 2.542 3.556 . 0 0 "[ . 1]" 1
558 1 22 ARG HE 1 22 ARG HG2 3.704 . 5.419 3.355 2.440 3.831 . 0 0 "[ . 1]" 1
559 1 12 LYS H 1 12 LYS QB 2.412 . 3.139 2.541 2.420 2.723 . 0 0 "[ . 1]" 1
560 1 20 LYS HB3 1 21 ILE H 3.491 . 5.015 3.873 3.440 4.244 . 0 0 "[ . 1]" 1
561 1 20 LYS H 1 20 LYS HB3 2.537 . 3.342 2.892 2.640 3.050 . 0 0 "[ . 1]" 1
562 1 20 LYS H 1 21 ILE HB 3.849 . 5.701 4.014 3.822 4.961 . 0 0 "[ . 1]" 1
563 1 21 ILE H 1 21 ILE HB 2.286 . 2.939 2.565 2.516 2.637 . 0 0 "[ . 1]" 1
564 1 25 GLU H 1 41 GLU QB 4.019 . 6.038 4.384 4.195 4.532 . 0 0 "[ . 1]" 1
565 1 12 LYS QB 1 27 GLN HE21 3.393 . 4.826 2.826 2.332 3.269 . 0 0 "[ . 1]" 1
566 1 22 ARG HE 1 42 ILE HB 3.425 . 4.891 4.299 2.968 5.295 0.404 5 0 "[ . 1]" 1
567 1 15 HIS HD2 1 41 GLU QB 3.726 . 5.462 5.507 5.477 5.596 0.134 4 0 "[ . 1]" 1
568 1 27 GLN HE21 1 27 GLN QG 3.178 . 4.148 2.199 2.159 2.245 . 0 0 "[ . 1]" 1
569 1 32 PRO QG 1 33 LEU H 3.578 . 5.178 4.679 4.641 4.705 . 0 0 "[ . 1]" 1
570 1 35 ARG HB3 1 36 TRP HD1 3.236 . 6.000 5.042 4.251 5.420 . 0 0 "[ . 1]" 1
571 1 18 SER H 1 21 ILE HB 3.298 . 4.657 3.844 3.650 4.128 . 0 0 "[ . 1]" 1
572 1 17 VAL HB 1 18 SER H 2.318 . 2.990 2.901 2.823 2.956 . 0 0 "[ . 1]" 1
573 1 35 ARG HB3 1 35 ARG HE 3.465 . 4.966 2.927 1.872 4.224 0.092 7 0 "[ . 1]" 1
574 1 17 VAL HB 1 36 TRP HZ3 4.040 . 6.080 5.620 5.534 5.667 . 0 0 "[ . 1]" 1
575 1 17 VAL HB 1 36 TRP HE3 3.838 . 5.680 5.498 5.454 5.553 . 0 0 "[ . 1]" 1
576 1 25 GLU H 1 25 GLU HG2 4.206 . 6.417 4.663 4.421 4.983 . 0 0 "[ . 1]" 1
577 1 25 GLU H 1 25 GLU HG3 3.841 . 5.685 4.629 4.373 4.809 . 0 0 "[ . 1]" 1
578 1 10 GLN HE21 1 10 GLN HG3 2.959 . 4.053 2.954 2.843 3.436 . 0 0 "[ . 1]" 1
579 1 10 GLN HE21 1 10 GLN HG2 2.802 . 3.783 2.217 2.196 2.238 . 0 0 "[ . 1]" 1
580 1 18 SER HA 1 20 LYS H 3.693 . 5.398 4.214 4.143 4.479 . 0 0 "[ . 1]" 1
581 1 18 SER HA 1 36 TRP HZ2 3.528 . 5.084 4.076 3.976 4.161 . 0 0 "[ . 1]" 1
582 1 18 SER HA 1 36 TRP HD1 2.993 . 4.113 3.776 3.737 3.845 . 0 0 "[ . 1]" 1
583 1 18 SER H 1 18 SER HA 2.686 . 3.588 2.830 2.810 2.855 . 0 0 "[ . 1]" 1
584 1 35 ARG HB2 1 36 TRP HD1 2.852 . 6.000 4.838 4.235 5.488 . 0 0 "[ . 1]" 1
585 1 35 ARG HB2 1 35 ARG HE 3.675 . 5.363 3.310 2.133 4.526 . 0 0 "[ . 1]" 1
586 1 32 PRO HB3 1 33 LEU H 3.562 . 5.148 4.466 4.424 4.498 . 0 0 "[ . 1]" 1
587 1 18 SER HA 1 36 TRP HZ3 3.685 . 5.383 4.788 4.732 4.837 . 0 0 "[ . 1]" 1
588 1 18 SER HA 1 36 TRP HE3 3.388 . 4.823 3.999 3.912 4.042 . 0 0 "[ . 1]" 1
589 1 9 CYS HB3 1 29 GLY H 4.177 . 6.357 5.869 5.477 6.726 0.369 2 0 "[ . 1]" 1
590 1 39 CYS HB2 1 41 GLU H 4.142 . 6.286 5.236 4.765 5.597 . 0 0 "[ . 1]" 1
591 1 19 PRO HD3 1 36 TRP H 3.822 . 5.648 4.024 3.824 4.382 . 0 0 "[ . 1]" 1
592 1 11 ASP QB 1 13 GLY H 4.202 . 6.034 4.209 4.140 4.289 . 0 0 "[ . 1]" 1
593 1 23 CYS HB3 1 25 GLU H 4.174 . 6.352 4.477 3.531 4.921 . 0 0 "[ . 1]" 1
594 1 19 PRO HD3 1 20 LYS H 3.436 . 4.912 4.550 4.460 4.590 . 0 0 "[ . 1]" 1
595 1 19 PRO HD3 1 36 TRP HZ2 4.138 . 6.278 5.570 5.431 5.696 . 0 0 "[ . 1]" 1
596 1 5 ASP HB2 1 6 PHE QD 3.966 . 5.932 5.799 5.515 6.120 0.188 6 0 "[ . 1]" 1
597 1 15 HIS HD2 1 39 CYS HB2 3.542 . 5.110 4.152 3.833 4.365 . 0 0 "[ . 1]" 1
598 1 11 ASP QB 1 12 LYS H 3.019 . 3.776 2.314 2.215 2.485 . 0 0 "[ . 1]" 1
599 1 7 HIS HD2 1 11 ASP QB 3.449 . 4.936 5.818 5.661 5.874 0.938 7 10 [***-**+***] 1
600 1 19 PRO HD3 1 36 TRP HE3 4.173 . 6.350 5.785 5.511 5.925 . 0 0 "[ . 1]" 1
601 1 29 GLY H 1 38 CYS HB2 3.537 . 5.101 3.613 2.896 3.936 . 0 0 "[ . 1]" 1
602 1 31 CYS QB 1 36 TRP H 3.581 . 5.184 4.057 3.659 4.368 . 0 0 "[ . 1]" 1
603 1 39 CYS HB3 1 42 ILE H 4.119 . 6.240 5.482 5.205 5.743 . 0 0 "[ . 1]" 1
604 1 36 TRP H 1 36 TRP HB3 2.758 . 3.709 3.529 3.511 3.554 . 0 0 "[ . 1]" 1
605 1 36 TRP H 1 36 TRP HB2 2.399 . 3.119 2.251 2.224 2.296 . 0 0 "[ . 1]" 1
606 1 13 GLY H 1 14 GLY HA2 3.585 . 5.192 4.569 4.361 4.757 . 0 0 "[ . 1]" 1
607 1 14 GLY H 1 14 GLY HA2 2.387 . 3.099 2.901 2.826 2.947 . 0 0 "[ . 1]" 1
608 1 9 CYS HB2 1 10 GLN HE21 3.753 . 5.514 4.403 3.768 5.655 0.141 7 0 "[ . 1]" 1
609 1 18 SER HB3 1 20 LYS H 3.452 . 4.941 4.765 4.658 4.880 . 0 0 "[ . 1]" 1
610 1 18 SER HB3 1 36 TRP HZ2 3.052 . 4.216 2.628 2.518 2.789 . 0 0 "[ . 1]" 1
611 1 19 PRO HD3 1 36 TRP HD1 2.526 . 3.323 2.998 2.835 3.126 . 0 0 "[ . 1]" 1
612 1 18 SER H 1 18 SER HB3 2.342 . 3.028 2.507 2.405 2.665 . 0 0 "[ . 1]" 1
613 1 7 HIS HD2 1 12 LYS QE 3.473 . 4.981 2.775 1.913 4.635 0.068 7 0 "[ . 1]" 1
614 1 6 PHE QB 1 6 PHE QD 2.548 . 3.359 2.159 2.136 2.178 . 0 0 "[ . 1]" 1
615 1 15 HIS HB3 1 15 HIS HD2 2.539 . 3.345 3.154 3.096 3.202 . 0 0 "[ . 1]" 1
616 1 18 SER HB3 1 36 TRP HZ3 3.562 . 5.148 4.099 4.022 4.174 . 0 0 "[ . 1]" 1
617 1 23 CYS HB2 1 25 GLU H 3.423 . 6.000 5.414 4.846 5.771 . 0 0 "[ . 1]" 1
618 1 19 PRO HD2 1 20 LYS H 2.929 . 4.001 3.950 3.472 4.038 0.037 1 0 "[ . 1]" 1
619 1 19 PRO HD2 1 36 TRP HZ2 3.755 . 5.517 4.575 4.361 4.793 . 0 0 "[ . 1]" 1
620 1 36 TRP HB3 1 36 TRP HD1 2.918 . 3.982 3.906 3.900 3.917 . 0 0 "[ . 1]" 1
621 1 36 TRP HB2 1 36 TRP HD1 2.747 . 3.690 3.012 2.970 3.080 . 0 0 "[ . 1]" 1
622 1 19 PRO HD2 1 36 TRP HD1 2.838 . 3.845 3.801 3.730 3.850 0.005 6 0 "[ . 1]" 1
623 1 18 SER H 1 19 PRO HD2 3.502 . 5.035 4.737 4.688 4.923 . 0 0 "[ . 1]" 1
624 1 7 HIS QB 1 7 HIS HD2 2.598 . 6.000 2.951 2.887 3.096 . 0 0 "[ . 1]" 1
625 1 33 LEU H 1 36 TRP HB2 3.451 . 4.940 4.409 4.236 4.515 . 0 0 "[ . 1]" 1
626 1 14 GLY HA2 1 27 GLN HE21 3.915 . 5.831 5.873 5.804 6.216 0.385 7 0 "[ . 1]" 1
627 1 36 TRP HB3 1 36 TRP HZ3 2.953 . 6.000 4.761 4.747 4.789 . 0 0 "[ . 1]" 1
628 1 16 CYS HB2 1 36 TRP HZ3 2.788 . 3.759 3.398 3.351 3.431 . 0 0 "[ . 1]" 1
629 1 16 CYS HB2 1 36 TRP HE3 2.327 . 3.004 2.755 2.635 2.962 . 0 0 "[ . 1]" 1
630 1 36 TRP HB3 1 36 TRP HE3 2.441 . 3.186 2.364 2.350 2.389 . 0 0 "[ . 1]" 1
631 1 16 CYS HB3 1 36 TRP HE3 2.682 . 3.581 1.973 1.898 2.018 . 0 0 "[ . 1]" 1
632 1 16 CYS HB3 1 36 TRP HZ3 3.157 . 4.403 3.840 3.643 3.945 . 0 0 "[ . 1]" 1
633 1 18 SER H 1 18 SER HB2 2.681 . 3.580 3.540 3.531 3.559 . 0 0 "[ . 1]" 1
634 1 18 SER HB2 1 36 TRP HD1 3.535 . 5.097 5.102 5.055 5.153 0.056 2 0 "[ . 1]" 1
635 1 18 SER HB2 1 36 TRP HH2 3.441 . 4.921 4.728 4.595 4.820 . 0 0 "[ . 1]" 1
636 1 18 SER HB2 1 36 TRP HZ3 3.844 . 5.691 5.745 5.681 5.801 0.110 1 0 "[ . 1]" 1
637 1 18 SER HB2 1 36 TRP HE3 4.189 . 6.382 5.854 5.811 5.881 . 0 0 "[ . 1]" 1
638 1 31 CYS QB 1 36 TRP HE3 3.490 . 5.013 3.825 3.543 4.098 . 0 0 "[ . 1]" 1
639 1 31 CYS QB 1 36 TRP HZ3 4.346 . 6.707 5.750 5.428 6.034 . 0 0 "[ . 1]" 1
640 1 31 CYS QB 1 33 LEU H 3.024 . 4.167 4.253 4.153 4.318 0.151 7 0 "[ . 1]" 1
641 1 31 CYS QB 1 36 TRP HD1 4.049 . 6.098 5.134 4.807 5.383 . 0 0 "[ . 1]" 1
642 1 29 GLY H 1 38 CYS HB3 3.573 . 5.169 4.341 3.216 4.791 . 0 0 "[ . 1]" 1
643 1 18 SER HB2 1 20 LYS H 3.244 . 4.559 3.763 3.419 3.910 . 0 0 "[ . 1]" 1
644 1 18 SER HB2 1 36 TRP HZ2 3.001 . 4.127 3.498 3.348 3.606 . 0 0 "[ . 1]" 1
645 1 13 GLY HA3 1 14 GLY H 2.971 . 4.074 2.229 2.110 2.387 . 0 0 "[ . 1]" 1
646 1 13 GLY H 1 13 GLY HA3 2.166 . 2.752 2.509 2.499 2.515 . 0 0 "[ . 1]" 1
647 1 29 GLY H 1 29 GLY HA3 2.809 . 3.795 2.769 2.759 2.785 . 0 0 "[ . 1]" 1
648 1 35 ARG HA 1 36 TRP H 2.844 . 3.855 2.807 2.765 2.867 . 0 0 "[ . 1]" 1
649 1 42 ILE H 1 42 ILE HA 2.771 . 3.731 2.925 2.914 2.934 . 0 0 "[ . 1]" 1
650 1 34 LYS HA 1 36 TRP H 2.952 . 4.041 4.362 4.133 4.642 0.601 2 4 "[ +* .- *]" 1
651 1 21 ILE H 1 21 ILE HA 2.499 . 3.280 2.935 2.906 2.956 . 0 0 "[ . 1]" 1
652 1 20 LYS H 1 20 LYS HA 2.500 . 3.281 2.918 2.897 2.938 . 0 0 "[ . 1]" 1
653 1 4 SER HB2 1 6 PHE QE 4.072 . 6.144 4.220 3.132 4.844 . 0 0 "[ . 1]" 1
654 1 4 SER HB2 1 6 PHE HZ 3.990 . 5.980 4.006 2.698 4.913 . 0 0 "[ . 1]" 1
655 1 4 SER HB3 1 6 PHE HZ 3.820 . 5.644 2.997 2.496 4.704 . 0 0 "[ . 1]" 1
656 1 12 LYS H 1 13 GLY HA3 3.690 . 5.392 4.558 4.380 4.674 . 0 0 "[ . 1]" 1
657 1 32 PRO HD3 1 33 LEU H 3.542 . 5.110 5.373 5.345 5.396 0.286 7 0 "[ . 1]" 1
658 1 32 PRO HD2 1 33 LEU H 3.070 . 4.248 4.710 4.581 4.819 0.571 7 3 "[ * . + -]" 1
659 1 4 SER HB3 1 6 PHE QD 3.827 . 5.658 4.659 3.815 5.984 0.326 10 0 "[ . 1]" 1
660 1 4 SER HB2 1 6 PHE QD 4.073 . 6.146 5.546 4.366 6.056 . 0 0 "[ . 1]" 1
661 1 32 PRO HD2 1 36 TRP HE3 4.141 . 6.285 5.849 5.774 5.899 . 0 0 "[ . 1]" 1
662 1 35 ARG HA 1 36 TRP HD1 3.507 . 5.045 4.434 4.331 4.484 . 0 0 "[ . 1]" 1
663 1 34 LYS HA 1 36 TRP HD1 3.546 . 5.117 4.227 3.988 4.501 . 0 0 "[ . 1]" 1
664 1 12 LYS H 1 13 GLY HA2 3.216 . 6.000 4.835 4.669 4.933 . 0 0 "[ . 1]" 1
665 1 32 PRO HA 1 33 LEU H 3.101 . 4.303 2.263 2.222 2.304 . 0 0 "[ . 1]" 1
666 1 13 GLY HA2 1 14 GLY H 2.590 . 3.428 3.438 3.336 3.503 0.075 6 0 "[ . 1]" 1
667 1 13 GLY H 1 13 GLY HA2 2.435 . 3.176 2.948 2.944 2.952 . 0 0 "[ . 1]" 1
668 1 24 LEU HA 1 25 GLU H 3.198 . 4.476 3.567 3.530 3.588 . 0 0 "[ . 1]" 1
669 1 4 SER HA 1 6 PHE H 3.572 . 5.167 5.070 4.912 5.314 0.147 6 0 "[ . 1]" 1
670 1 28 LEU HA 1 29 GLY H 2.102 . 2.654 2.144 2.086 2.188 . 0 0 "[ . 1]" 1
671 1 40 LYS HA 1 41 GLU H 2.657 . 3.539 2.182 2.119 2.264 . 0 0 "[ . 1]" 1
672 1 14 GLY H 1 14 GLY HA3 2.651 . 3.530 2.612 2.483 2.756 . 0 0 "[ . 1]" 1
673 1 12 LYS HA 1 13 GLY H 2.624 . 3.485 3.497 3.480 3.509 0.024 2 0 "[ . 1]" 1
674 1 19 PRO HA 1 21 ILE H 3.179 . 4.442 3.798 3.666 4.037 . 0 0 "[ . 1]" 1
675 1 19 PRO HA 1 20 LYS H 2.744 . 3.685 3.077 2.950 3.572 . 0 0 "[ . 1]" 1
676 1 4 SER HA 1 6 PHE QE 3.892 . 5.786 2.954 2.167 4.501 . 0 0 "[ . 1]" 1
677 1 6 PHE QD 1 8 THR HA 3.488 . 5.009 3.385 2.987 4.099 . 0 0 "[ . 1]" 1
678 1 14 GLY HA3 1 15 HIS HD2 2.891 . 3.936 3.717 3.596 3.855 . 0 0 "[ . 1]" 1
679 1 33 LEU H 1 33 LEU HA 2.761 . 3.714 2.821 2.783 2.848 . 0 0 "[ . 1]" 1
680 1 4 SER HA 1 6 PHE HZ 3.504 . 5.039 3.015 2.618 5.025 . 0 0 "[ . 1]" 1
681 1 6 PHE HA 1 6 PHE QE 3.452 . 6.000 5.610 5.598 5.639 . 0 0 "[ . 1]" 1
682 1 6 PHE HA 1 7 HIS HD2 3.327 . 4.710 5.719 5.269 6.114 1.404 2 10 [*+***-****] 1
683 1 6 PHE HA 1 6 PHE QD 2.635 . 6.000 3.667 3.640 3.706 . 0 0 "[ . 1]" 1
684 1 15 HIS HD2 1 41 GLU HA 2.776 . 3.740 3.718 3.610 3.807 0.067 3 0 "[ . 1]" 1
685 1 17 VAL HA 1 36 TRP HZ3 2.655 . 3.536 3.257 3.200 3.295 . 0 0 "[ . 1]" 1
686 1 17 VAL HA 1 36 TRP HE3 2.607 . 3.456 3.441 3.407 3.465 0.009 3 0 "[ . 1]" 1
687 1 15 HIS HD2 1 38 CYS HA 2.726 . 6.000 6.011 5.785 6.102 0.102 1 0 "[ . 1]" 1
688 1 17 VAL HA 1 36 TRP HH2 3.401 . 4.847 4.793 4.740 4.838 . 0 0 "[ . 1]" 1
689 1 17 VAL HA 1 18 SER H 2.006 . 2.509 2.127 2.099 2.168 . 0 0 "[ . 1]" 1
690 1 36 TRP HA 1 36 TRP HD1 2.547 . 3.358 3.233 3.090 3.371 0.013 7 0 "[ . 1]" 1
691 1 5 ASP HA 1 6 PHE H 2.131 . 2.698 2.165 2.141 2.193 . 0 0 "[ . 1]" 1
692 1 41 GLU HA 1 42 ILE H 2.079 . 2.619 2.276 2.196 2.378 . 0 0 "[ . 1]" 1
693 1 41 GLU H 1 41 GLU HA 2.918 . 3.982 2.236 2.220 2.254 . 0 0 "[ . 1]" 1
694 1 25 GLU H 1 25 GLU HA 2.994 . 4.114 2.934 2.910 2.944 . 0 0 "[ . 1]" 1
695 1 36 TRP H 1 36 TRP HA 2.651 . 3.529 2.851 2.842 2.859 . 0 0 "[ . 1]" 1
696 1 17 VAL HA 1 36 TRP HZ2 4.267 . 6.543 6.091 6.056 6.124 . 0 0 "[ . 1]" 1
697 1 17 VAL HA 1 21 ILE H 4.432 . 6.887 5.942 5.700 6.236 . 0 0 "[ . 1]" 1
698 1 6 PHE H 1 7 HIS HA 4.182 . 6.368 4.630 4.541 4.675 . 0 0 "[ . 1]" 1
699 1 39 CYS HA 1 41 GLU H 3.705 . 5.421 4.920 4.756 5.013 . 0 0 "[ . 1]" 1
700 1 7 HIS HA 1 7 HIS HD2 2.886 . 3.927 2.697 2.398 2.916 . 0 0 "[ . 1]" 1
701 1 6 PHE QD 1 7 HIS HA 4.092 . 6.185 4.075 3.756 4.209 . 0 0 "[ . 1]" 1
702 1 31 CYS HA 1 33 LEU H 3.789 . 5.584 5.380 5.309 5.434 . 0 0 "[ . 1]" 1
703 1 15 HIS HD2 1 39 CYS HA 4.158 . 6.320 5.437 5.157 5.805 . 0 0 "[ . 1]" 1
704 1 16 CYS HA 1 36 TRP HE3 3.294 . 4.650 3.671 3.570 3.751 . 0 0 "[ . 1]" 1
705 1 16 CYS HA 1 36 TRP HZ3 3.837 . 5.677 5.146 5.012 5.192 . 0 0 "[ . 1]" 1
706 1 27 GLN HA 1 27 GLN HE22 4.271 . 6.551 5.200 4.818 5.885 . 0 0 "[ . 1]" 1
707 1 10 GLN HE22 1 32 PRO HD2 4.229 . 6.465 6.348 6.105 6.875 0.410 6 0 "[ . 1]" 1
708 1 10 GLN HE22 1 32 PRO HD3 4.212 . 6.429 6.723 6.398 7.223 0.794 6 2 "[- .+ 1]" 1
709 1 27 GLN HE22 1 38 CYS HB2 3.862 . 5.726 5.600 4.876 6.633 0.907 7 2 "[ - . + 1]" 1
710 1 12 LYS QE 1 27 GLN HE22 4.293 . 6.597 4.825 2.132 6.123 . 0 0 "[ . 1]" 1
711 1 10 GLN HE22 1 10 GLN HG3 3.428 . 4.897 3.796 3.737 4.032 . 0 0 "[ . 1]" 1
712 1 10 GLN HB2 1 10 GLN HE22 4.161 . 6.325 4.781 4.497 4.886 . 0 0 "[ . 1]" 1
713 1 27 GLN HE22 1 27 GLN QG 3.290 . 4.643 3.248 3.192 3.304 . 0 0 "[ . 1]" 1
714 1 12 LYS QB 1 27 GLN HE22 3.001 . 4.127 2.414 1.852 2.761 0.055 6 0 "[ . 1]" 1
715 1 27 GLN HE22 1 28 LEU HG 3.781 . 5.568 4.819 4.210 5.571 0.003 7 0 "[ . 1]" 1
716 1 12 LYS QG 1 27 GLN HE22 3.684 . 5.381 4.203 3.788 4.566 . 0 0 "[ . 1]" 1
717 1 8 THR MG 1 10 GLN HE22 4.318 . 6.649 6.901 6.405 7.117 0.468 6 0 "[ . 1]" 1
718 1 33 LEU MD2 1 36 TRP HZ3 4.327 . 6.668 6.202 5.943 6.593 . 0 0 "[ . 1]" 1
719 1 33 LEU MD2 1 36 TRP HE3 4.372 . 6.761 6.071 5.848 6.418 . 0 0 "[ . 1]" 1
720 1 16 CYS HA 1 38 CYS HA 3.149 . 4.388 2.541 2.345 2.926 . 0 0 "[ . 1]" 1
721 1 16 CYS HA 1 17 VAL HA 3.572 . 5.167 4.378 4.367 4.385 . 0 0 "[ . 1]" 1
722 1 16 CYS HA 1 37 THR HA 4.603 . 7.252 5.359 5.172 5.524 . 0 0 "[ . 1]" 1
723 1 26 GLU HA 1 39 CYS HA 2.787 . 3.758 2.710 2.394 2.910 . 0 0 "[ . 1]" 1
724 1 30 LEU HA 1 31 CYS HA 4.541 . 7.118 4.375 4.341 4.399 . 0 0 "[ . 1]" 1
725 1 39 CYS HA 1 40 LYS HA 3.770 . 5.546 4.366 4.340 4.388 . 0 0 "[ . 1]" 1
726 1 7 HIS HA 1 8 THR HA 3.766 . 5.539 4.396 4.352 4.424 . 0 0 "[ . 1]" 1
727 1 31 CYS HA 1 32 PRO HA 3.676 . 5.365 4.467 4.447 4.477 . 0 0 "[ . 1]" 1
728 1 14 GLY HA3 1 15 HIS HA 4.887 . 7.872 4.498 4.433 4.518 . 0 0 "[ . 1]" 1
729 1 8 THR HA 1 8 THR HB 2.280 . 2.930 2.613 2.575 2.649 . 0 0 "[ . 1]" 1
730 1 22 ARG HA 1 23 CYS HA 3.627 . 5.272 4.396 4.370 4.431 . 0 0 "[ . 1]" 1
731 1 10 GLN HA 1 15 HIS HA 3.748 . 5.504 3.486 3.339 3.690 . 0 0 "[ . 1]" 1
732 1 23 CYS HA 1 42 ILE HA 3.022 . 4.163 3.704 3.136 4.041 . 0 0 "[ . 1]" 1
733 1 16 CYS HA 1 37 THR HB 4.334 . 6.682 5.539 5.273 5.935 . 0 0 "[ . 1]" 1
734 1 16 CYS HA 1 31 CYS QB 4.285 . 6.580 4.188 3.969 4.304 . 0 0 "[ . 1]" 1
735 1 16 CYS HA 1 38 CYS HB3 4.456 . 6.938 4.770 4.340 5.870 . 0 0 "[ . 1]" 1
736 1 16 CYS HA 1 16 CYS HB2 2.726 . 3.655 3.025 3.021 3.028 . 0 0 "[ . 1]" 1
737 1 16 CYS HA 1 36 TRP HB3 3.994 . 5.988 4.010 3.740 4.156 . 0 0 "[ . 1]" 1
738 1 9 CYS HB2 1 16 CYS HA 4.202 . 6.409 4.410 4.106 4.715 . 0 0 "[ . 1]" 1
739 1 16 CYS HA 1 39 CYS HB2 3.948 . 5.897 4.742 4.594 4.961 . 0 0 "[ . 1]" 1
740 1 16 CYS HA 1 17 VAL HB 4.262 . 6.533 5.690 5.671 5.711 . 0 0 "[ . 1]" 1
741 1 16 CYS HA 1 37 THR MG 4.195 . 6.395 5.107 4.956 5.266 . 0 0 "[ . 1]" 1
742 1 8 THR HB 1 9 CYS HA 4.231 . 6.468 4.401 4.357 4.429 . 0 0 "[ . 1]" 1
743 1 41 GLU HA 1 42 ILE HA 3.683 . 5.378 4.415 4.368 4.451 . 0 0 "[ . 1]" 1
744 1 33 LEU HA 1 34 LYS HA 3.572 . 5.167 4.534 4.389 4.594 . 0 0 "[ . 1]" 1
745 1 2 THR HA 1 2 THR HB 2.533 . 3.335 3.022 3.017 3.026 . 0 0 "[ . 1]" 1
746 1 8 THR HA 1 9 CYS HA 4.204 . 6.413 4.308 4.268 4.337 . 0 0 "[ . 1]" 1
747 1 21 ILE HA 1 22 ARG HA 4.128 . 6.258 4.365 4.340 4.399 . 0 0 "[ . 1]" 1
748 1 37 THR HA 1 37 THR HB 2.697 . 3.606 3.022 3.004 3.032 . 0 0 "[ . 1]" 1
749 1 36 TRP HA 1 37 THR HB 3.649 . 5.314 4.362 4.198 4.485 . 0 0 "[ . 1]" 1
750 1 37 THR HB 1 38 CYS HA 3.803 . 5.611 5.073 4.925 5.223 . 0 0 "[ . 1]" 1
751 1 9 CYS HA 1 29 GLY HA3 3.236 . 4.545 2.251 1.934 2.393 . 0 0 "[ . 1]" 1
752 1 32 PRO HA 1 32 PRO HD2 3.796 . 5.597 3.996 3.953 4.035 . 0 0 "[ . 1]" 1
753 1 9 CYS HA 1 29 GLY HA2 3.075 . 4.257 3.742 3.335 3.953 . 0 0 "[ . 1]" 1
754 1 4 SER HA 1 4 SER HB3 2.888 . 3.931 2.481 2.352 3.026 . 0 0 "[ . 1]" 1
755 1 4 SER HA 1 4 SER HB2 2.723 . 3.650 2.922 2.461 3.029 . 0 0 "[ . 1]" 1
756 1 31 CYS HA 1 32 PRO HD2 2.396 . 3.114 2.641 2.450 2.769 . 0 0 "[ . 1]" 1
757 1 31 CYS HA 1 32 PRO HD3 2.370 . 3.072 1.981 1.943 2.068 . 0 0 "[ . 1]" 1
758 1 31 CYS HA 1 31 CYS QB 3.301 . 4.007 2.360 2.346 2.380 . 0 0 "[ . 1]" 1
759 1 30 LEU HA 1 31 CYS QB 6.025 . 10.563 4.473 4.400 4.546 . 0 0 "[ . 1]" 1
760 1 37 THR HA 1 38 CYS HB3 3.695 . 6.000 5.565 4.877 5.762 . 0 0 "[ . 1]" 1
761 1 17 VAL HA 1 18 SER HB2 3.772 . 5.551 5.576 5.557 5.594 0.043 4 0 "[ . 1]" 1
762 1 7 HIS HA 1 7 HIS QB 2.659 . 3.178 2.403 2.358 2.442 . 0 0 "[ . 1]" 1
763 1 16 CYS HB2 1 31 CYS HA 3.766 . 5.539 5.049 4.735 5.168 . 0 0 "[ . 1]" 1
764 1 15 HIS HA 1 16 CYS HB3 3.746 . 6.000 5.731 5.687 5.771 . 0 0 "[ . 1]" 1
765 1 19 PRO HD2 1 36 TRP HA 3.457 . 4.951 4.210 4.094 4.338 . 0 0 "[ . 1]" 1
766 1 16 CYS HB2 1 17 VAL HA 3.673 . 5.360 4.748 4.684 4.867 . 0 0 "[ . 1]" 1
767 1 15 HIS HA 1 16 CYS HB2 3.381 . 4.810 4.794 4.770 4.828 0.018 4 0 "[ . 1]" 1
768 1 36 TRP HA 1 36 TRP HB2 2.649 . 3.526 2.998 2.993 3.005 . 0 0 "[ . 1]" 1
769 1 6 PHE HA 1 6 PHE QB 3.010 . 4.142 2.176 2.160 2.181 . 0 0 "[ . 1]" 1
770 1 15 HIS HA 1 15 HIS HB3 2.557 . 3.374 2.552 2.521 2.577 . 0 0 "[ . 1]" 1
771 1 39 CYS HA 1 39 CYS HB2 2.862 . 3.886 2.757 2.613 2.967 . 0 0 "[ . 1]" 1
772 1 7 HIS HA 1 11 ASP QB 5.211 . 8.606 5.155 4.758 5.778 . 0 0 "[ . 1]" 1
773 1 19 PRO HD3 1 36 TRP HA 2.960 . 4.056 2.764 2.524 2.955 . 0 0 "[ . 1]" 1
774 1 23 CYS HA 1 23 CYS HB3 2.940 . 4.021 2.843 2.452 3.017 . 0 0 "[ . 1]" 1
775 1 28 LEU HA 1 38 CYS HB3 4.105 . 6.212 4.499 2.981 4.975 . 0 0 "[ . 1]" 1
776 1 9 CYS HA 1 38 CYS HB3 4.427 . 6.877 3.330 2.801 4.695 . 0 0 "[ . 1]" 1
777 1 31 CYS QB 1 32 PRO HD3 3.943 . 5.358 3.709 3.608 3.934 . 0 0 "[ . 1]" 1
778 1 31 CYS QB 1 32 PRO HD2 3.432 . 4.690 3.208 3.084 3.401 . 0 0 "[ . 1]" 1
779 1 29 GLY HA3 1 38 CYS HB3 4.507 . 7.047 3.760 3.521 4.039 . 0 0 "[ . 1]" 1
780 1 16 CYS HB3 1 32 PRO HD2 3.982 . 5.964 4.842 4.664 4.955 . 0 0 "[ . 1]" 1
781 1 39 CYS HB3 1 42 ILE HA 3.554 . 5.133 4.794 4.110 5.165 0.032 5 0 "[ . 1]" 1
782 1 16 CYS HB2 1 32 PRO HD2 4.123 . 6.248 4.951 4.835 5.003 . 0 0 "[ . 1]" 1
783 1 17 VAL HA 1 18 SER HB3 3.557 . 5.139 4.358 4.296 4.428 . 0 0 "[ . 1]" 1
784 1 8 THR HB 1 9 CYS HB2 4.915 . 7.934 4.174 3.949 4.878 . 0 0 "[ . 1]" 1
785 1 15 HIS HB3 1 41 GLU HA 4.144 . 6.290 5.887 5.708 6.067 . 0 0 "[ . 1]" 1
786 1 8 THR HB 1 9 CYS HB3 4.490 . 7.010 5.087 3.950 5.370 . 0 0 "[ . 1]" 1
787 1 1 ASP HA 1 1 ASP QB 3.791 . 5.587 2.277 2.182 2.477 . 0 0 "[ . 1]" 1
788 1 1 ASP QB 1 3 THR HA 3.296 . 4.654 4.420 4.049 4.555 . 0 0 "[ . 1]" 1
789 1 8 THR HA 1 9 CYS HB3 4.109 . 6.219 5.639 4.780 5.865 . 0 0 "[ . 1]" 1
790 1 31 CYS QB 1 32 PRO HA 3.692 . 5.396 4.449 4.376 4.532 . 0 0 "[ . 1]" 1
791 1 32 PRO HD2 1 36 TRP HB3 4.140 . 6.282 5.774 5.513 5.930 . 0 0 "[ . 1]" 1
792 1 29 GLY HA3 1 38 CYS HB2 4.457 . 6.940 3.828 2.719 4.294 . 0 0 "[ . 1]" 1
793 1 9 CYS HB2 1 29 GLY HA3 4.928 . 7.964 4.247 2.970 4.654 . 0 0 "[ . 1]" 1
794 1 37 THR HB 1 39 CYS HB2 4.110 . 6.221 4.465 3.888 4.965 . 0 0 "[ . 1]" 1
795 1 4 SER HB3 1 6 PHE QB 5.337 . 8.898 6.204 5.114 7.388 . 0 0 "[ . 1]" 1
796 1 16 CYS HB2 1 32 PRO HD3 3.998 . 5.996 5.880 5.736 5.957 . 0 0 "[ . 1]" 1
797 1 9 CYS HB3 1 29 GLY HA2 4.447 . 6.919 5.827 5.696 5.958 . 0 0 "[ . 1]" 1
798 1 16 CYS HB3 1 31 CYS QB 3.509 . 5.048 2.660 2.480 2.822 . 0 0 "[ . 1]" 1
799 1 18 SER HB2 1 19 PRO HD2 2.659 . 3.543 2.088 2.001 2.213 . 0 0 "[ . 1]" 1
800 1 16 CYS HB2 1 31 CYS QB 3.575 . 5.172 3.835 3.701 3.950 . 0 0 "[ . 1]" 1
801 1 31 CYS QB 1 36 TRP HB2 3.247 . 4.565 2.547 2.229 2.805 . 0 0 "[ . 1]" 1
802 1 31 CYS QB 1 36 TRP HB3 2.920 . 3.986 2.762 2.503 2.985 . 0 0 "[ . 1]" 1
803 1 18 SER HB2 1 19 PRO HD3 2.875 . 3.908 3.585 3.457 3.641 . 0 0 "[ . 1]" 1
804 1 9 CYS HB3 1 38 CYS HB3 3.819 . 5.642 2.919 2.051 6.020 0.378 2 0 "[ . 1]" 1
805 1 18 SER HB3 1 19 PRO HD2 3.311 . 4.681 3.450 3.293 3.584 . 0 0 "[ . 1]" 1
806 1 9 CYS HB3 1 38 CYS HB2 3.718 . 5.446 3.991 3.747 4.724 . 0 0 "[ . 1]" 1
807 1 26 GLU HA 1 26 GLU HG3 3.208 . 4.495 3.042 2.925 3.136 . 0 0 "[ . 1]" 1
808 1 26 GLU HA 1 26 GLU HG2 3.197 . 4.474 2.510 2.412 2.580 . 0 0 "[ . 1]" 1
809 1 18 SER HA 1 36 TRP HA 2.951 . 4.040 3.002 2.888 3.214 . 0 0 "[ . 1]" 1
810 1 27 GLN HA 1 27 GLN QG 3.229 . 4.533 2.894 2.286 3.408 . 0 0 "[ . 1]" 1
811 1 26 GLU HA 1 26 GLU HB3 2.815 . 3.806 2.488 2.443 2.529 . 0 0 "[ . 1]" 1
812 1 17 VAL HA 1 17 VAL HB 2.394 . 3.111 2.422 2.380 2.454 . 0 0 "[ . 1]" 1
813 1 10 GLN HG2 1 11 ASP HA 4.213 . 6.431 6.325 6.162 6.746 0.315 1 0 "[ . 1]" 1
814 1 18 SER HA 1 19 PRO HA 3.967 . 5.934 4.352 4.324 4.388 . 0 0 "[ . 1]" 1
815 1 27 GLN QG 1 40 LYS HA 3.853 . 4.971 4.168 3.864 4.362 . 0 0 "[ . 1]" 1
816 1 12 LYS HA 1 12 LYS QB 2.656 . 3.538 2.328 2.270 2.369 . 0 0 "[ . 1]" 1
817 1 10 GLN HA 1 10 GLN HG2 3.094 . 4.291 3.565 3.457 3.610 . 0 0 "[ . 1]" 1
818 1 10 GLN HA 1 10 GLN HG3 3.038 . 4.192 3.874 3.777 3.941 . 0 0 "[ . 1]" 1
819 1 32 PRO HA 1 32 PRO HB3 2.533 . 3.335 2.348 2.341 2.355 . 0 0 "[ . 1]" 1
820 1 10 GLN HA 1 10 GLN HB3 2.716 . 3.638 2.333 2.255 2.359 . 0 0 "[ . 1]" 1
821 1 10 GLN HA 1 10 GLN HB2 2.696 . 3.605 2.600 2.560 2.717 . 0 0 "[ . 1]" 1
822 1 32 PRO HA 1 32 PRO QG 3.035 . 4.187 3.539 3.526 3.551 . 0 0 "[ . 1]" 1
823 1 19 PRO HA 1 20 LYS HB3 2.548 . 6.000 5.683 5.523 6.067 0.067 9 0 "[ . 1]" 1
824 1 40 LYS HA 1 40 LYS HB2 2.825 . 3.823 2.535 2.445 2.642 . 0 0 "[ . 1]" 1
825 1 40 LYS HA 1 40 LYS HB3 2.774 . 3.736 3.017 2.991 3.028 . 0 0 "[ . 1]" 1
826 1 8 THR HA 1 30 LEU QB 2.446 . 3.194 2.019 1.773 2.238 . 0 0 "[ . 1]" 1
827 1 12 LYS HA 1 12 LYS QG 3.091 . 3.984 2.587 2.541 2.680 . 0 0 "[ . 1]" 1
828 1 28 LEU HA 1 28 LEU HB3 2.441 . 3.186 2.392 2.285 2.579 . 0 0 "[ . 1]" 1
829 1 30 LEU HA 1 30 LEU QB 2.595 . 3.437 2.435 2.252 2.475 . 0 0 "[ . 1]" 1
830 1 27 GLN HA 1 28 LEU HB3 3.871 . 5.744 4.494 4.107 4.770 . 0 0 "[ . 1]" 1
831 1 23 CYS HA 1 24 LEU HB2 3.308 . 4.676 4.322 4.205 4.427 . 0 0 "[ . 1]" 1
832 1 23 CYS HA 1 24 LEU HB3 3.880 . 5.762 5.613 5.482 5.695 . 0 0 "[ . 1]" 1
833 1 8 THR HB 1 8 THR MG 1.981 . 2.472 2.135 2.131 2.139 . 0 0 "[ . 1]" 1
834 1 37 THR MG 1 38 CYS HA 3.343 . 4.740 3.786 3.663 3.898 . 0 0 "[ . 1]" 1
835 1 26 GLU HA 1 37 THR MG 2.971 . 4.074 3.064 2.932 3.149 . 0 0 "[ . 1]" 1
836 1 37 THR HA 1 37 THR MG 2.269 . 2.913 2.502 2.403 2.638 . 0 0 "[ . 1]" 1
837 1 2 THR HA 1 2 THR MG 3.079 . 4.264 2.323 2.296 2.356 . 0 0 "[ . 1]" 1
838 1 8 THR HA 1 8 THR MG 2.156 . 2.737 2.211 2.156 2.249 . 0 0 "[ . 1]" 1
839 1 17 VAL HA 1 17 VAL MG1 2.139 . 2.711 2.398 2.353 2.471 . 0 0 "[ . 1]" 1
840 1 23 CYS HA 1 42 ILE MG 3.175 . 4.435 2.759 2.507 2.967 . 0 0 "[ . 1]" 1
841 1 21 ILE MG 1 23 CYS HA 3.282 . 4.629 3.893 3.711 4.092 . 0 0 "[ . 1]" 1
842 1 17 VAL HA 1 21 ILE MG 3.561 . 5.146 3.930 3.715 4.112 . 0 0 "[ . 1]" 1
843 1 17 VAL HA 1 21 ILE MD 3.626 . 5.270 4.591 4.383 4.723 . 0 0 "[ . 1]" 1
844 1 33 LEU HA 1 33 LEU HG 2.882 . 3.920 2.953 2.867 3.069 . 0 0 "[ . 1]" 1
845 1 41 GLU HA 1 42 ILE MD 4.368 . 6.753 3.312 2.663 4.660 . 0 0 "[ . 1]" 1
846 1 33 LEU HA 1 33 LEU HB3 2.740 . 3.679 2.603 2.590 2.623 . 0 0 "[ . 1]" 1
847 1 33 LEU HA 1 33 LEU MD2 2.131 . 2.699 1.960 1.913 2.001 . 0 0 "[ . 1]" 1
848 1 24 LEU HA 1 24 LEU HB2 2.443 . 3.189 2.961 2.890 2.991 . 0 0 "[ . 1]" 1
849 1 24 LEU HA 1 24 LEU HB3 2.570 . 3.396 2.684 2.613 2.802 . 0 0 "[ . 1]" 1
850 1 22 ARG HA 1 22 ARG HG3 3.115 . 4.328 3.253 2.648 3.683 . 0 0 "[ . 1]" 1
851 1 21 ILE HA 1 21 ILE HB 2.976 . 4.083 3.022 3.019 3.024 . 0 0 "[ . 1]" 1
852 1 35 ARG HA 1 35 ARG HB3 2.591 . 3.430 2.616 2.390 3.024 . 0 0 "[ . 1]" 1
853 1 35 ARG HA 1 35 ARG HB2 2.892 . 3.937 2.717 2.405 3.010 . 0 0 "[ . 1]" 1
854 1 32 PRO HB3 1 32 PRO HD2 3.427 . 4.895 3.894 3.878 3.907 . 0 0 "[ . 1]" 1
855 1 32 PRO HB3 1 32 PRO HD3 3.143 . 4.378 3.297 3.194 3.398 . 0 0 "[ . 1]" 1
856 1 17 VAL HB 1 37 THR HB 3.915 . 5.831 4.885 4.649 5.194 . 0 0 "[ . 1]" 1
857 1 32 PRO HD3 1 32 PRO QG 2.631 . 3.496 2.204 2.197 2.212 . 0 0 "[ . 1]" 1
858 1 42 ILE HA 1 42 ILE HB 2.657 . 3.539 2.468 2.394 2.569 . 0 0 "[ . 1]" 1
859 1 9 CYS HA 1 12 LYS QB 3.583 . 5.188 4.474 4.218 4.830 . 0 0 "[ . 1]" 1
860 1 34 LYS HA 1 34 LYS HG2 2.888 . 3.931 2.553 2.409 2.988 . 0 0 "[ . 1]" 1
861 1 34 LYS HA 1 34 LYS HG3 2.774 . 3.736 3.261 3.095 3.782 0.046 2 0 "[ . 1]" 1
862 1 9 CYS HA 1 12 LYS QG 3.993 . 5.986 5.177 4.604 5.649 . 0 0 "[ . 1]" 1
863 1 21 ILE HA 1 21 ILE HG12 3.083 . 4.271 3.104 3.029 3.159 . 0 0 "[ . 1]" 1
864 1 21 ILE HA 1 21 ILE HG13 3.051 . 4.214 3.747 3.728 3.765 . 0 0 "[ . 1]" 1
865 1 3 THR HB 1 3 THR MG 2.104 . 2.657 2.130 2.118 2.134 . 0 0 "[ . 1]" 1
866 1 28 LEU HA 1 28 LEU QD 2.899 . 3.949 3.378 3.135 3.428 . 0 0 "[ . 1]" 1
867 1 24 LEU HA 1 24 LEU QD 2.782 . 2.822 1.953 1.840 2.375 . 0 0 "[ . 1]" 1
868 1 21 ILE MG 1 22 ARG HA 3.448 . 4.934 3.945 3.856 4.019 . 0 0 "[ . 1]" 1
869 1 32 PRO HA 1 33 LEU MD2 4.063 . 6.126 5.032 4.908 5.183 . 0 0 "[ . 1]" 1
870 1 33 LEU HA 1 33 LEU MD1 3.204 . 4.487 3.821 3.789 3.847 . 0 0 "[ . 1]" 1
871 1 32 PRO HA 1 33 LEU MD1 4.605 . 7.255 5.724 5.532 5.851 . 0 0 "[ . 1]" 1
872 1 42 ILE HA 1 42 ILE HG12 3.612 . 5.242 3.678 3.577 3.747 . 0 0 "[ . 1]" 1
873 1 24 LEU QD 1 42 ILE HA 3.567 . 5.157 1.999 1.830 2.366 0.147 10 0 "[ . 1]" 1
874 1 33 LEU HB3 1 34 LYS HA 3.390 . 4.826 4.333 4.275 4.382 . 0 0 "[ . 1]" 1
875 1 42 ILE HA 1 42 ILE MG 2.570 . 3.396 2.334 2.229 2.419 . 0 0 "[ . 1]" 1
876 1 21 ILE HA 1 21 ILE MG 2.280 . 2.930 2.405 2.379 2.436 . 0 0 "[ . 1]" 1
877 1 21 ILE HA 1 21 ILE MD 2.380 . 3.088 2.058 2.031 2.097 . 0 0 "[ . 1]" 1
878 1 17 VAL MG2 1 37 THR HB 2.358 . 3.053 2.216 2.009 2.473 . 0 0 "[ . 1]" 1
879 1 37 THR HB 1 37 THR MG 2.086 . 2.630 2.132 2.130 2.135 . 0 0 "[ . 1]" 1
880 1 8 THR MG 1 32 PRO HD3 3.931 . 5.863 4.509 4.142 5.007 . 0 0 "[ . 1]" 1
881 1 18 SER HA 1 18 SER HB2 2.438 . 3.181 2.432 2.381 2.483 . 0 0 "[ . 1]" 1
882 1 23 CYS HB2 1 26 GLU HG3 4.035 . 6.070 3.968 2.848 4.910 . 0 0 "[ . 1]" 1
883 1 23 CYS HB2 1 26 GLU HG2 3.913 . 5.827 3.577 3.046 4.257 . 0 0 "[ . 1]" 1
884 1 18 SER HA 1 19 PRO HD2 2.487 . 3.260 2.357 2.284 2.585 . 0 0 "[ . 1]" 1
885 1 18 SER HA 1 36 TRP HB3 3.998 . 5.996 4.100 3.965 4.152 . 0 0 "[ . 1]" 1
886 1 14 GLY HA2 1 27 GLN QG 4.087 . 6.174 5.191 4.817 5.687 . 0 0 "[ . 1]" 1
887 1 7 HIS QB 1 12 LYS QG 3.616 . 5.250 3.395 2.923 3.745 . 0 0 "[ . 1]" 1
888 1 7 HIS QB 1 8 THR MG 3.555 . 5.135 5.131 5.094 5.174 0.039 4 0 "[ . 1]" 1
889 1 23 CYS HB2 1 37 THR MG 2.603 . 6.000 4.059 3.721 4.641 . 0 0 "[ . 1]" 1
890 1 18 SER HA 1 19 PRO HD3 2.357 . 3.051 2.439 2.237 2.516 . 0 0 "[ . 1]" 1
891 1 18 SER HA 1 18 SER HB3 2.699 . 3.609 2.471 2.410 2.530 . 0 0 "[ . 1]" 1
892 1 12 LYS QB 1 12 LYS QE 3.773 . 5.552 3.157 1.878 3.729 0.120 4 0 "[ . 1]" 1
893 1 19 PRO HD3 1 35 ARG HB3 4.476 . 6.980 4.266 3.141 5.429 . 0 0 "[ . 1]" 1
894 1 12 LYS QE 1 12 LYS QG 3.309 . 4.677 2.339 2.279 2.424 . 0 0 "[ . 1]" 1
895 1 8 THR MG 1 11 ASP QB 3.726 . 5.462 4.258 4.077 4.496 . 0 0 "[ . 1]" 1
896 1 8 THR MG 1 9 CYS HB2 3.833 . 5.669 5.048 4.824 5.335 . 0 0 "[ . 1]" 1
897 1 18 SER HB3 1 21 ILE HG12 3.651 . 5.317 4.095 3.930 4.214 . 0 0 "[ . 1]" 1
898 1 18 SER HB3 1 21 ILE HG13 3.642 . 5.300 4.360 4.150 4.522 . 0 0 "[ . 1]" 1
899 1 37 THR MG 1 39 CYS HB2 2.710 . 3.628 3.666 3.596 3.738 0.110 4 0 "[ . 1]" 1
900 1 37 THR MG 1 38 CYS HB2 3.809 . 5.623 4.034 3.901 4.407 . 0 0 "[ . 1]" 1
901 1 37 THR MG 1 38 CYS HB3 3.606 . 5.231 4.670 3.876 4.900 . 0 0 "[ . 1]" 1
902 1 31 CYS QB 1 33 LEU HB3 4.062 . 6.124 5.375 5.219 5.513 . 0 0 "[ . 1]" 1
903 1 18 SER HB2 1 21 ILE MD 3.909 . 5.819 4.674 4.482 4.835 . 0 0 "[ . 1]" 1
904 1 17 VAL MG1 1 39 CYS HB3 2.287 . 2.941 2.601 2.351 2.935 . 0 0 "[ . 1]" 1
905 1 33 LEU HB2 1 36 TRP HB2 3.967 . 5.935 2.936 2.768 3.139 . 0 0 "[ . 1]" 1
906 1 15 HIS HB3 1 42 ILE MG 3.354 . 6.000 5.592 5.443 5.810 . 0 0 "[ . 1]" 1
907 1 15 HIS HB3 1 42 ILE MD 3.376 . 4.800 4.828 4.619 4.955 0.155 9 0 "[ . 1]" 1
908 1 18 SER HB3 1 21 ILE MD 3.335 . 4.726 4.361 4.120 4.536 . 0 0 "[ . 1]" 1
909 1 23 CYS HB3 1 42 ILE MG 3.502 . 5.035 5.096 4.214 5.523 0.488 9 0 "[ . 1]" 1
910 1 26 GLU HG3 1 37 THR MG 2.998 . 4.122 3.849 3.735 3.946 . 0 0 "[ . 1]" 1
911 1 26 GLU HG2 1 37 THR MG 2.651 . 3.529 2.333 2.197 2.486 . 0 0 "[ . 1]" 1
912 1 8 THR MG 1 10 GLN HG2 3.852 . 5.706 5.140 4.931 5.522 . 0 0 "[ . 1]" 1
913 1 26 GLU HB3 1 26 GLU HG2 2.468 . 3.229 2.442 2.380 2.480 . 0 0 "[ . 1]" 1
914 1 10 GLN HB3 1 10 GLN HG2 2.676 . 3.571 2.516 2.438 2.585 . 0 0 "[ . 1]" 1
915 1 10 GLN HB2 1 10 GLN HG2 2.760 . 3.712 2.995 2.988 3.008 . 0 0 "[ . 1]" 1
916 1 10 GLN HB2 1 10 GLN HG3 2.910 . 3.968 2.366 2.321 2.429 . 0 0 "[ . 1]" 1
917 1 25 GLU HB2 1 40 LYS HB3 3.087 . 4.278 3.633 3.516 3.773 . 0 0 "[ . 1]" 1
918 1 12 LYS QB 1 12 LYS QG 2.750 . 3.695 2.037 1.986 2.089 . 0 0 "[ . 1]" 1
919 1 21 ILE HB 1 21 ILE HG12 2.672 . 3.565 2.449 2.439 2.472 . 0 0 "[ . 1]" 1
920 1 21 ILE HB 1 21 ILE HG13 2.771 . 3.731 2.455 2.426 2.469 . 0 0 "[ . 1]" 1
921 1 17 VAL HB 1 21 ILE HG12 3.057 . 4.225 3.185 2.986 3.398 . 0 0 "[ . 1]" 1
922 1 17 VAL HB 1 21 ILE HG13 3.186 . 4.455 2.327 2.081 2.455 . 0 0 "[ . 1]" 1
923 1 26 GLU HB3 1 37 THR MG 3.188 . 4.459 2.892 2.538 3.210 . 0 0 "[ . 1]" 1
924 1 17 VAL MG2 1 18 SER HA 3.971 . 5.942 4.281 4.112 4.418 . 0 0 "[ . 1]" 1
925 1 32 PRO HB3 1 33 LEU HG 4.145 . 6.293 5.517 5.403 5.607 . 0 0 "[ . 1]" 1
926 1 32 PRO QG 1 33 LEU HG 4.119 . 4.190 3.525 3.385 3.571 . 0 0 "[ . 1]" 1
927 1 24 LEU QD 1 41 GLU QB 3.581 . 5.184 3.801 2.782 4.663 . 0 0 "[ . 1]" 1
928 1 17 VAL HB 1 21 ILE MG 2.518 . 3.310 2.409 2.231 2.583 . 0 0 "[ . 1]" 1
929 1 17 VAL HB 1 21 ILE MD 2.872 . 3.903 3.858 3.691 3.907 0.004 5 0 "[ . 1]" 1
930 1 32 PRO HB3 1 33 LEU MD2 3.655 . 5.325 5.716 5.598 5.867 0.542 2 1 "[ + . 1]" 1
931 1 32 PRO QG 1 33 LEU MD2 3.892 . 5.786 4.139 4.122 4.149 . 0 0 "[ . 1]" 1
932 1 21 ILE HB 1 21 ILE MG 2.043 . 2.565 2.128 2.126 2.129 . 0 0 "[ . 1]" 1
933 1 42 ILE HB 1 42 ILE MG 2.442 . 3.187 2.118 2.113 2.125 . 0 0 "[ . 1]" 1
934 1 21 ILE HB 1 21 ILE MD 2.691 . 3.596 3.236 3.231 3.240 . 0 0 "[ . 1]" 1
935 1 20 LYS HB3 1 21 ILE MD 3.670 . 5.354 3.582 3.231 3.957 . 0 0 "[ . 1]" 1
936 1 8 THR MG 1 30 LEU QB 2.374 . 3.078 2.805 2.607 3.065 . 0 0 "[ . 1]" 1
937 1 28 LEU HB3 1 28 LEU QD 2.722 . 3.648 2.180 2.107 2.451 . 0 0 "[ . 1]" 1
938 1 24 LEU HB3 1 24 LEU QD 2.509 . 3.296 2.292 2.263 2.322 . 0 0 "[ . 1]" 1
939 1 20 LYS HB2 1 21 ILE MD 3.505 . 5.041 4.994 4.720 5.307 0.266 9 0 "[ . 1]" 1
940 1 42 ILE MD 1 42 ILE HG13 2.043 . 2.565 2.118 2.116 2.121 . 0 0 "[ . 1]" 1
941 1 21 ILE HG12 1 21 ILE MG 2.522 . 3.317 3.200 3.198 3.203 . 0 0 "[ . 1]" 1
942 1 21 ILE HG13 1 21 ILE MG 2.714 . 3.635 2.347 2.334 2.376 . 0 0 "[ . 1]" 1
943 1 21 ILE MD 1 21 ILE HG12 2.178 . 2.771 2.117 2.116 2.119 . 0 0 "[ . 1]" 1
944 1 21 ILE MD 1 21 ILE HG13 2.106 . 2.660 2.119 2.117 2.122 . 0 0 "[ . 1]" 1
945 1 42 ILE MD 1 42 ILE HG12 1.753 . 2.137 2.113 2.110 2.116 . 0 0 "[ . 1]" 1
946 1 33 LEU MD2 1 33 LEU HG 2.143 . 2.717 2.113 2.110 2.117 . 0 0 "[ . 1]" 1
947 1 33 LEU HB3 1 33 LEU MD2 2.552 . 3.366 2.361 2.307 2.424 . 0 0 "[ . 1]" 1
948 1 33 LEU HB2 1 33 LEU HG 2.951 . 4.040 2.448 2.418 2.495 . 0 0 "[ . 1]" 1
949 1 33 LEU MD1 1 33 LEU HG 2.276 . 2.924 2.117 2.114 2.119 . 0 0 "[ . 1]" 1
950 1 33 LEU HB3 1 33 LEU MD1 2.518 . 3.310 2.378 2.340 2.439 . 0 0 "[ . 1]" 1
951 1 33 LEU HB2 1 33 LEU MD2 3.416 . 4.874 3.190 3.184 3.201 . 0 0 "[ . 1]" 1
952 1 33 LEU MD1 1 33 LEU MD2 2.110 . 2.666 2.067 2.064 2.073 . 0 0 "[ . 1]" 1
953 1 33 LEU HB2 1 33 LEU MD1 2.604 . 3.451 2.370 2.310 2.407 . 0 0 "[ . 1]" 1
954 1 32 PRO QG 1 33 LEU MD1 4.336 . 6.686 4.548 4.348 4.619 . 0 0 "[ . 1]" 1
955 1 33 LEU MD1 1 36 TRP HB2 4.342 . 6.699 3.866 3.609 4.238 . 0 0 "[ . 1]" 1
956 1 33 LEU MD1 1 36 TRP HB3 4.577 . 7.195 4.003 3.782 4.381 . 0 0 "[ . 1]" 1
957 1 18 SER HB2 1 33 LEU MD1 4.554 . 7.146 5.371 5.213 5.469 . 0 0 "[ . 1]" 1
958 1 32 PRO HD2 1 33 LEU MD1 4.543 . 7.123 4.135 3.855 4.512 . 0 0 "[ . 1]" 1
959 1 33 LEU HB2 1 36 TRP HB3 4.468 . 6.964 4.091 3.886 4.294 . 0 0 "[ . 1]" 1
960 1 10 GLN HG2 1 15 HIS HA 4.247 . 6.502 3.412 2.316 3.650 . 0 0 "[ . 1]" 1
961 1 10 GLN HG3 1 15 HIS HA 4.179 . 6.362 4.530 3.748 4.757 . 0 0 "[ . 1]" 1
962 1 26 GLU HG2 1 39 CYS HA 4.329 . 6.672 4.310 3.986 4.590 . 0 0 "[ . 1]" 1
963 1 31 CYS HA 1 32 PRO HB3 4.408 . 6.837 4.668 4.634 4.730 . 0 0 "[ . 1]" 1
964 1 26 GLU HB3 1 39 CYS HA 4.061 . 6.122 4.906 4.493 5.154 . 0 0 "[ . 1]" 1
965 1 31 CYS HA 1 32 PRO QG 3.403 . 4.850 3.892 3.855 3.923 . 0 0 "[ . 1]" 1
966 1 39 CYS HA 1 40 LYS HB2 4.120 . 6.242 4.461 4.357 4.710 . 0 0 "[ . 1]" 1
967 1 39 CYS HA 1 40 LYS HB3 4.007 . 6.014 4.659 4.444 4.938 . 0 0 "[ . 1]" 1
968 1 7 HIS HA 1 8 THR MG 3.115 . 4.328 4.219 4.069 4.287 . 0 0 "[ . 1]" 1
969 1 37 THR MG 1 39 CYS HA 3.162 . 4.412 3.146 2.929 3.290 . 0 0 "[ . 1]" 1
970 1 17 VAL H 1 31 CYS QB 4.465 . 6.957 4.893 4.640 5.116 . 0 0 "[ . 1]" 1
971 1 37 THR HB 1 39 CYS H 4.381 . 6.781 4.882 4.425 5.381 . 0 0 "[ . 1]" 1
972 1 27 GLN HE22 1 28 LEU H 4.176 . 6.355 3.885 3.480 4.490 . 0 0 "[ . 1]" 1
973 1 10 GLN HE21 1 16 CYS H 4.345 . 6.705 3.669 2.506 4.309 . 0 0 "[ . 1]" 1
974 1 10 GLN H 1 10 GLN HE21 4.482 . 6.993 3.640 3.394 3.748 . 0 0 "[ . 1]" 1
975 1 15 HIS HE1 1 21 ILE HB 4.065 . 6.130 5.950 5.666 6.082 . 0 0 "[ . 1]" 1
976 1 36 TRP HE1 1 37 THR H 4.667 . 7.390 6.825 6.706 6.972 . 0 0 "[ . 1]" 1
977 1 35 ARG H 1 36 TRP HE1 4.685 . 7.429 4.426 3.956 4.798 . 0 0 "[ . 1]" 1
978 1 10 GLN HE22 1 16 CYS HB3 4.563 . 7.166 5.935 5.484 6.649 . 0 0 "[ . 1]" 1
979 1 10 GLN H 1 31 CYS HA 3.974 . 5.948 5.839 5.731 5.928 . 0 0 "[ . 1]" 1
980 1 9 CYS H 1 31 CYS HA 3.561 . 5.146 4.639 4.359 4.989 . 0 0 "[ . 1]" 1
981 1 10 GLN H 1 32 PRO HD3 4.440 . 6.904 6.600 6.437 6.701 . 0 0 "[ . 1]" 1
982 1 7 HIS QB 1 9 CYS H 4.520 . 7.074 6.100 5.769 6.220 . 0 0 "[ . 1]" 1
983 1 9 CYS H 1 12 LYS QB 4.510 . 7.053 6.267 5.838 6.678 . 0 0 "[ . 1]" 1
984 1 33 LEU HB3 1 35 ARG H 3.922 . 5.845 5.030 4.519 5.382 . 0 0 "[ . 1]" 1
985 1 37 THR HA 1 39 CYS H 4.579 . 7.200 5.479 5.174 5.850 . 0 0 "[ . 1]" 1
986 1 29 GLY H 1 38 CYS H 4.420 . 6.862 4.513 3.986 4.732 . 0 0 "[ . 1]" 1
987 1 17 VAL H 1 36 TRP HE1 4.863 . 7.819 7.706 7.636 7.742 . 0 0 "[ . 1]" 1
988 1 25 GLU H 1 42 ILE HA 4.528 . 7.091 4.815 4.512 5.130 . 0 0 "[ . 1]" 1
989 1 32 PRO HD3 1 36 TRP HE3 4.546 . 7.129 7.105 7.068 7.147 0.018 9 0 "[ . 1]" 1
990 1 13 GLY HA3 1 27 GLN HE22 4.669 . 7.394 3.182 2.682 3.408 . 0 0 "[ . 1]" 1
991 1 10 GLN HA 1 10 GLN HE22 4.596 . 7.236 6.404 6.057 6.518 . 0 0 "[ . 1]" 1
992 1 33 LEU H 1 34 LYS HA 4.373 . 6.764 4.412 4.318 4.707 . 0 0 "[ . 1]" 1
993 1 22 ARG HA 1 22 ARG HE 3.956 . 5.912 4.636 4.305 5.315 . 0 0 "[ . 1]" 1
994 1 10 GLN HA 1 10 GLN HE21 4.490 . 7.010 5.597 4.905 5.735 . 0 0 "[ . 1]" 1
995 1 21 ILE H 1 22 ARG HA 4.228 . 6.463 5.232 5.017 5.384 . 0 0 "[ . 1]" 1
996 1 23 CYS HA 1 25 GLU H 3.597 . 5.215 4.237 3.751 4.555 . 0 0 "[ . 1]" 1
997 1 25 GLU H 1 39 CYS HA 4.581 . 7.204 4.516 4.261 4.741 . 0 0 "[ . 1]" 1
998 1 2 THR H 1 2 THR HB 4.101 . 6.203 2.848 2.559 3.750 . 0 0 "[ . 1]" 1
999 1 7 HIS H 1 29 GLY HA3 4.586 . 7.215 6.925 6.503 7.155 . 0 0 "[ . 1]" 1
1000 1 10 GLN HA 1 16 CYS H 4.557 . 7.153 5.561 5.398 5.716 . 0 0 "[ . 1]" 1
1001 1 31 CYS H 1 32 PRO HA 4.535 . 7.106 4.872 4.535 5.014 . 0 0 "[ . 1]" 1
1002 1 10 GLN HE22 1 16 CYS H 4.655 . 7.364 3.793 3.136 4.589 . 0 0 "[ . 1]" 1
1003 1 10 GLN H 1 10 GLN HE22 4.705 . 7.472 5.003 4.925 5.111 . 0 0 "[ . 1]" 1
1004 1 22 ARG HE 1 23 CYS H 4.758 . 7.587 5.306 4.369 6.263 . 0 0 "[ . 1]" 1
1005 1 19 PRO HA 1 37 THR H 4.470 . 6.967 4.476 4.091 4.872 . 0 0 "[ . 1]" 1
1006 1 27 GLN HE22 1 40 LYS H 4.812 . 7.707 7.525 6.856 7.675 . 0 0 "[ . 1]" 1
1007 1 17 VAL H 1 36 TRP H 4.633 . 7.316 6.568 6.445 6.670 . 0 0 "[ . 1]" 1
1008 1 15 HIS H 1 17 VAL H 4.826 . 7.737 6.407 6.094 6.529 . 0 0 "[ . 1]" 1
1009 1 37 THR H 1 39 CYS H 4.826 . 7.737 5.638 5.099 6.090 . 0 0 "[ . 1]" 1
1010 1 34 LYS HA 1 36 TRP HE1 4.769 . 7.612 5.680 5.492 5.852 . 0 0 "[ . 1]" 1
1011 1 35 ARG HA 1 36 TRP HE1 4.857 . 7.805 6.829 6.686 6.912 . 0 0 "[ . 1]" 1
1012 1 19 PRO HA 1 36 TRP HE1 4.740 . 7.549 6.950 6.826 7.086 . 0 0 "[ . 1]" 1
1013 1 35 ARG HB3 1 36 TRP HE1 4.583 . 7.208 6.852 5.761 7.410 0.202 9 0 "[ . 1]" 1
1014 1 10 GLN HE22 1 15 HIS HB3 4.859 . 7.810 5.441 4.701 6.024 . 0 0 "[ . 1]" 1
1015 1 9 CYS HB2 1 10 GLN HE22 4.924 . 7.955 5.855 5.434 7.163 . 0 0 "[ . 1]" 1
1016 1 10 GLN HG2 1 13 GLY H 4.547 . 7.131 6.667 6.506 6.803 . 0 0 "[ . 1]" 1
1017 1 10 GLN HG3 1 13 GLY H 4.618 . 7.284 7.038 6.866 7.213 . 0 0 "[ . 1]" 1
1018 1 18 SER HA 1 36 TRP H 4.472 . 6.972 5.076 4.897 5.291 . 0 0 "[ . 1]" 1
1019 1 14 GLY H 1 27 GLN QG 4.677 . 5.553 2.874 2.126 3.705 . 0 0 "[ . 1]" 1
1020 1 6 PHE H 1 30 LEU QB 4.373 . 6.763 5.532 5.277 5.891 . 0 0 "[ . 1]" 1
1021 1 34 LYS HG3 1 36 TRP H 4.191 . 6.387 5.563 5.303 5.972 . 0 0 "[ . 1]" 1
1022 1 25 GLU H 1 40 LYS HB2 4.356 . 6.728 5.110 4.904 5.352 . 0 0 "[ . 1]" 1
1023 1 33 LEU HG 1 36 TRP HZ2 4.550 . 7.138 5.977 5.741 6.105 . 0 0 "[ . 1]" 1
1024 1 33 LEU HG 1 36 TRP HE3 4.543 . 7.123 5.607 5.444 5.804 . 0 0 "[ . 1]" 1
1025 1 21 ILE MD 1 36 TRP HZ3 4.606 . 7.258 6.066 5.748 6.229 . 0 0 "[ . 1]" 1
1026 1 21 ILE MD 1 36 TRP HE3 4.620 . 7.288 6.963 6.728 7.095 . 0 0 "[ . 1]" 1
1027 1 7 HIS QB 1 28 LEU H 4.926 . 7.960 7.113 6.850 7.376 . 0 0 "[ . 1]" 1
1028 1 19 PRO HD2 1 34 LYS H 4.451 . 6.928 5.842 5.615 6.071 . 0 0 "[ . 1]" 1
1029 1 28 LEU H 1 38 CYS HB2 4.452 . 6.930 4.349 3.891 5.419 . 0 0 "[ . 1]" 1
1030 1 23 CYS H 1 26 GLU HG2 4.434 . 6.892 5.695 5.253 6.356 . 0 0 "[ . 1]" 1
1031 1 23 CYS H 1 26 GLU HG3 4.470 . 6.968 5.699 5.321 6.456 . 0 0 "[ . 1]" 1
1032 1 10 GLN HB2 1 16 CYS H 4.564 . 7.168 5.411 5.237 5.577 . 0 0 "[ . 1]" 1
1033 1 26 GLU HB3 1 38 CYS H 4.526 . 7.086 5.174 4.870 5.532 . 0 0 "[ . 1]" 1
1034 1 10 GLN HB3 1 16 CYS H 4.931 . 7.971 3.843 3.684 4.014 . 0 0 "[ . 1]" 1
1035 1 34 LYS HG2 1 36 TRP HE1 4.699 . 7.460 5.027 3.377 5.441 . 0 0 "[ . 1]" 1
1036 1 5 ASP HB3 1 6 PHE QD 4.328 . 6.669 4.957 4.522 5.194 . 0 0 "[ . 1]" 1
1037 1 17 VAL H 1 18 SER HA 4.667 . 7.390 4.999 4.959 5.029 . 0 0 "[ . 1]" 1
1038 1 17 VAL HB 1 39 CYS H 4.626 . 7.301 5.609 5.279 5.853 . 0 0 "[ . 1]" 1
1039 1 27 GLN QG 1 39 CYS H 4.659 . 7.372 5.434 4.254 6.562 . 0 0 "[ . 1]" 1
1040 1 21 ILE MG 1 39 CYS H 4.531 . 7.097 6.249 6.012 6.473 . 0 0 "[ . 1]" 1
1041 1 14 GLY H 1 39 CYS H 4.634 . 7.319 5.058 4.846 5.337 . 0 0 "[ . 1]" 1
1042 1 16 CYS H 1 42 ILE MD 4.609 . 7.264 6.780 6.670 6.908 . 0 0 "[ . 1]" 1
1043 1 16 CYS H 1 32 PRO HD2 4.429 . 6.881 6.754 6.582 6.829 . 0 0 "[ . 1]" 1
1044 1 14 GLY HA3 1 16 CYS H 4.688 . 7.435 6.331 6.183 6.399 . 0 0 "[ . 1]" 1
1045 1 26 GLU HG2 1 38 CYS H 4.366 . 6.749 5.786 5.589 5.969 . 0 0 "[ . 1]" 1
1046 1 9 CYS HB2 1 38 CYS H 4.770 . 7.615 6.165 5.060 6.564 . 0 0 "[ . 1]" 1
1047 1 31 CYS H 1 36 TRP HB2 4.275 . 6.560 5.323 4.953 5.605 . 0 0 "[ . 1]" 1
1048 1 31 CYS H 1 36 TRP HB3 4.643 . 7.337 5.883 5.413 6.097 . 0 0 "[ . 1]" 1
1049 1 9 CYS HB3 1 31 CYS H 4.657 . 7.368 5.820 5.413 6.106 . 0 0 "[ . 1]" 1
1050 1 8 THR HA 1 31 CYS H 4.649 . 7.350 5.446 5.230 5.841 . 0 0 "[ . 1]" 1
1051 1 31 CYS H 1 33 LEU H 4.722 . 7.509 5.614 5.388 5.728 . 0 0 "[ . 1]" 1
1052 1 16 CYS HB3 1 31 CYS HA 4.339 . 6.693 4.488 4.217 4.636 . 0 0 "[ . 1]" 1
1053 1 25 GLU HG3 1 40 LYS H 4.080 . 6.161 5.113 3.969 5.893 . 0 0 "[ . 1]" 1
1054 1 40 LYS H 1 42 ILE MG 4.423 . 6.869 5.255 4.968 5.444 . 0 0 "[ . 1]" 1
1055 1 16 CYS HB3 1 37 THR H 4.699 . 7.459 5.072 4.892 5.282 . 0 0 "[ . 1]" 1
1056 1 19 PRO HD2 1 37 THR H 4.433 . 6.889 5.688 5.520 5.867 . 0 0 "[ . 1]" 1
1057 1 24 LEU H 1 26 GLU HG2 4.524 . 7.082 5.983 5.611 6.337 . 0 0 "[ . 1]" 1
1058 1 17 VAL HB 1 37 THR H 4.140 . 6.282 5.040 4.912 5.148 . 0 0 "[ . 1]" 1
1059 1 24 LEU H 1 41 GLU QB 3.990 . 5.980 4.911 4.282 5.330 . 0 0 "[ . 1]" 1
1060 1 24 LEU H 1 42 ILE MG 3.891 . 5.784 3.369 3.109 3.649 . 0 0 "[ . 1]" 1
1061 1 33 LEU HB2 1 35 ARG H 4.650 . 7.352 5.335 4.729 5.865 . 0 0 "[ . 1]" 1
1062 1 24 LEU H 1 24 LEU QD 3.416 . 4.874 2.626 2.437 3.132 . 0 0 "[ . 1]" 1
1063 1 24 LEU H 1 25 GLU HA 3.516 . 5.062 4.871 4.732 4.997 . 0 0 "[ . 1]" 1
1064 1 23 CYS H 1 39 CYS HA 4.649 . 7.351 7.181 7.085 7.255 . 0 0 "[ . 1]" 1
1065 1 26 GLU H 1 37 THR MG 3.568 . 5.159 5.035 4.906 5.147 . 0 0 "[ . 1]" 1
1066 1 24 LEU HA 1 26 GLU H 3.671 . 5.356 5.863 5.631 6.057 0.701 6 6 "[**-**+ 1]" 1
1067 1 26 GLU H 1 26 GLU HA 2.757 . 3.707 2.852 2.825 2.893 . 0 0 "[ . 1]" 1
1068 1 33 LEU HA 1 35 ARG H 4.471 . 6.970 6.607 6.273 6.855 . 0 0 "[ . 1]" 1
1069 1 35 ARG H 1 36 TRP HA 4.149 . 6.300 4.497 4.038 4.889 . 0 0 "[ . 1]" 1
1070 1 35 ARG H 1 35 ARG HE 4.799 . 7.678 5.241 4.524 6.428 . 0 0 "[ . 1]" 1
1071 1 10 GLN H 1 12 LYS QB 4.578 . 7.197 6.451 6.204 6.735 . 0 0 "[ . 1]" 1
1072 1 9 CYS H 1 32 PRO QG 4.894 . 7.888 6.690 6.429 6.854 . 0 0 "[ . 1]" 1
1073 1 9 CYS H 1 10 GLN HG3 4.574 . 7.189 4.621 4.058 4.865 . 0 0 "[ . 1]" 1
1074 1 9 CYS H 1 38 CYS HB3 4.566 . 7.172 5.634 5.104 7.257 0.085 2 0 "[ . 1]" 1
1075 1 9 CYS H 1 32 PRO HD3 4.451 . 6.928 5.372 5.125 5.587 . 0 0 "[ . 1]" 1
1076 1 9 CYS H 1 32 PRO HD2 4.782 . 7.641 6.579 6.272 6.886 . 0 0 "[ . 1]" 1
1077 1 15 HIS HE1 1 21 ILE HG13 4.368 . 6.753 4.798 4.616 4.931 . 0 0 "[ . 1]" 1
1078 1 15 HIS HE1 1 17 VAL HA 4.432 . 6.888 4.167 3.811 4.429 . 0 0 "[ . 1]" 1
1079 1 13 GLY HA3 1 15 HIS H 4.447 . 6.919 6.293 6.238 6.329 . 0 0 "[ . 1]" 1
1080 1 28 LEU H 1 38 CYS HB3 4.532 . 7.099 5.035 3.928 5.420 . 0 0 "[ . 1]" 1
1081 1 28 LEU H 1 29 GLY HA3 4.700 . 7.461 5.285 5.116 5.346 . 0 0 "[ . 1]" 1
1082 1 34 LYS H 1 35 ARG HA 4.642 . 7.335 4.964 4.623 5.604 . 0 0 "[ . 1]" 1
1083 1 27 GLN H 1 27 GLN QG 3.306 . 4.672 3.649 2.265 4.152 . 0 0 "[ . 1]" 1
1084 1 7 HIS H 1 30 LEU QD 3.599 . 5.218 3.091 2.647 4.586 . 0 0 "[ . 1]" 1
1085 1 17 VAL HB 1 22 ARG H 4.506 . 7.044 5.574 5.368 5.769 . 0 0 "[ . 1]" 1
1086 1 4 SER H 1 5 ASP HB3 4.753 . 7.576 5.800 5.423 6.712 . 0 0 "[ . 1]" 1
1087 1 4 SER H 1 5 ASP HA 4.417 . 6.856 5.517 5.270 5.626 . 0 0 "[ . 1]" 1
1088 1 6 PHE QB 1 30 LEU H 4.612 . 7.271 5.475 4.975 5.778 . 0 0 "[ . 1]" 1
1089 1 5 ASP H 1 6 PHE QD 4.461 . 6.949 3.393 2.604 4.847 . 0 0 "[ . 1]" 1
1090 1 11 ASP H 1 13 GLY HA3 4.652 . 7.357 4.949 4.792 5.279 . 0 0 "[ . 1]" 1
1091 1 11 ASP H 1 13 GLY H 4.116 . 6.234 2.757 2.652 2.944 . 0 0 "[ . 1]" 1
1092 1 3 THR MG 1 6 PHE H 4.470 . 6.968 6.044 4.120 6.596 . 0 0 "[ . 1]" 1
1093 1 6 PHE H 1 8 THR MG 4.118 . 6.238 3.981 3.511 4.962 . 0 0 "[ . 1]" 1
1094 1 6 PHE H 1 7 HIS QB 4.471 . 6.970 5.923 5.874 5.969 . 0 0 "[ . 1]" 1
1095 1 9 CYS HB2 1 29 GLY H 4.702 . 7.466 6.152 4.700 6.664 . 0 0 "[ . 1]" 1
1096 1 15 HIS HD2 1 42 ILE H 4.470 . 6.967 4.839 4.604 5.027 . 0 0 "[ . 1]" 1
1097 1 28 LEU QD 1 29 GLY H 3.230 . 4.534 3.892 3.407 4.220 . 0 0 "[ . 1]" 1
1098 1 41 GLU H 1 42 ILE MG 4.449 . 6.924 3.981 3.741 4.269 . 0 0 "[ . 1]" 1
1099 1 39 CYS HB3 1 41 GLU H 2.991 . 4.109 3.984 3.733 4.118 0.009 1 0 "[ . 1]" 1
1100 1 14 GLY HA2 1 41 GLU H 4.062 . 6.124 3.565 2.995 3.815 . 0 0 "[ . 1]" 1
1101 1 15 HIS HD2 1 41 GLU H 4.670 . 7.397 3.234 3.064 3.455 . 0 0 "[ . 1]" 1
1102 1 33 LEU MD2 1 36 TRP H 4.539 . 7.114 6.299 6.170 6.391 . 0 0 "[ . 1]" 1
1103 1 34 LYS HG2 1 36 TRP H 4.303 . 6.617 5.986 5.387 6.248 . 0 0 "[ . 1]" 1
1104 1 33 LEU HA 1 36 TRP H 4.317 . 6.647 6.167 5.916 6.306 . 0 0 "[ . 1]" 1
1105 1 33 LEU H 1 36 TRP H 4.186 . 6.376 4.872 4.667 5.114 . 0 0 "[ . 1]" 1
1106 1 13 GLY H 1 27 GLN HE22 4.340 . 6.694 3.682 2.600 4.065 . 0 0 "[ . 1]" 1
1107 1 24 LEU QD 1 25 GLU H 4.061 . 6.122 3.861 3.794 3.922 . 0 0 "[ . 1]" 1
1108 1 19 PRO HD3 1 21 ILE H 4.627 . 7.303 5.990 5.768 6.395 . 0 0 "[ . 1]" 1
1109 1 10 GLN HE21 1 15 HIS HB3 4.622 . 7.293 5.897 4.684 6.337 . 0 0 "[ . 1]" 1
1110 1 10 GLN HE21 1 15 HIS HB2 4.437 . 6.898 4.766 3.655 5.319 . 0 0 "[ . 1]" 1
1111 1 10 GLN HB3 1 10 GLN HE21 3.969 . 5.938 3.929 2.901 4.079 . 0 0 "[ . 1]" 1
1112 1 17 VAL MG2 1 20 LYS H 3.902 . 5.805 4.622 4.161 5.695 . 0 0 "[ . 1]" 1
1113 1 20 LYS H 1 36 TRP HA 4.724 . 7.514 6.005 5.825 6.255 . 0 0 "[ . 1]" 1
1114 1 16 CYS HB3 1 36 TRP HD1 4.211 . 6.427 6.158 5.940 6.293 . 0 0 "[ . 1]" 1
1115 1 33 LEU HA 1 36 TRP HD1 3.577 . 5.176 5.425 5.230 5.598 0.422 3 0 "[ . 1]" 1
1116 1 10 GLN HG3 1 12 LYS H 4.426 . 6.874 6.316 6.185 6.458 . 0 0 "[ . 1]" 1
1117 1 12 LYS H 1 29 GLY HA2 4.779 . 7.634 6.689 6.402 7.086 . 0 0 "[ . 1]" 1
1118 1 12 LYS H 1 29 GLY HA3 4.541 . 7.118 5.993 5.776 6.285 . 0 0 "[ . 1]" 1
1119 1 12 LYS H 1 27 GLN HE22 4.351 . 6.718 4.672 3.810 5.102 . 0 0 "[ . 1]" 1
1120 1 6 PHE QE 1 30 LEU QB 4.123 . 6.248 2.896 2.473 4.004 . 0 0 "[ . 1]" 1
1121 1 5 ASP HB2 1 6 PHE QE 4.298 . 6.607 6.283 5.969 6.987 0.380 6 0 "[ . 1]" 1
1122 1 6 PHE HZ 1 30 LEU QD 3.238 . 4.548 3.529 2.632 4.005 . 0 0 "[ . 1]" 1
1123 1 3 THR MG 1 6 PHE HZ 4.416 . 6.854 6.548 6.109 6.773 . 0 0 "[ . 1]" 1
1124 1 7 HIS HD2 1 12 LYS QG 4.000 . 5.431 3.597 2.700 4.685 . 0 0 "[ . 1]" 1
1125 1 35 ARG HA 1 35 ARG HE 4.406 . 6.833 3.819 1.931 5.126 0.048 9 0 "[ . 1]" 1
1126 1 6 PHE HZ 1 32 PRO QG 4.098 . 6.197 4.834 4.348 5.364 . 0 0 "[ . 1]" 1
1127 1 6 PHE HZ 1 32 PRO HB3 4.401 . 6.822 4.391 4.026 4.757 . 0 0 "[ . 1]" 1
1128 1 19 PRO HG3 1 35 ARG HE 3.676 . 5.365 4.988 4.040 5.349 . 0 0 "[ . 1]" 1
1129 1 35 ARG HE 1 37 THR HA 4.362 . 6.740 6.443 4.240 6.839 0.099 5 0 "[ . 1]" 1
1130 1 33 LEU H 1 34 LYS HG2 4.460 . 6.946 5.854 5.271 6.583 . 0 0 "[ . 1]" 1
1131 1 16 CYS HB2 1 36 TRP HH2 3.829 . 5.662 5.663 5.625 5.694 0.032 2 0 "[ . 1]" 1
1132 1 27 GLN HE21 1 38 CYS HB2 4.576 . 7.194 4.891 4.608 5.549 . 0 0 "[ . 1]" 1
1133 1 27 GLN HE21 1 29 GLY HA3 4.804 . 7.689 4.854 4.219 5.997 . 0 0 "[ . 1]" 1
1134 1 9 CYS HA 1 27 GLN HE21 4.464 . 6.955 4.191 3.275 5.249 . 0 0 "[ . 1]" 1
1135 1 12 LYS HA 1 27 GLN HE21 4.133 . 6.269 5.084 4.808 5.334 . 0 0 "[ . 1]" 1
1136 1 27 GLN HA 1 27 GLN HE21 4.352 . 6.719 5.065 4.623 5.484 . 0 0 "[ . 1]" 1
1137 1 6 PHE QD 1 11 ASP QB 4.618 . 7.284 6.800 6.340 7.641 0.357 2 0 "[ . 1]" 1
1138 1 15 HIS HD2 1 42 ILE HG13 3.984 . 5.968 5.369 4.939 5.664 . 0 0 "[ . 1]" 1
1139 1 14 GLY HA2 1 15 HIS HD2 3.606 . 5.231 4.417 3.960 4.544 . 0 0 "[ . 1]" 1
1140 1 10 GLN HA 1 15 HIS HD2 4.284 . 6.578 6.588 6.547 6.639 0.061 7 0 "[ . 1]" 1
1141 1 15 HIS HA 1 15 HIS HD2 3.014 . 6.000 4.262 4.220 4.332 . 0 0 "[ . 1]" 1
1142 1 15 HIS HD2 1 16 CYS HA 4.352 . 6.719 5.693 5.592 5.754 . 0 0 "[ . 1]" 1
1143 1 33 LEU HB2 1 36 TRP HZ3 4.616 . 7.280 6.172 5.986 6.347 . 0 0 "[ . 1]" 1
1144 1 19 PRO HD3 1 36 TRP HZ3 4.550 . 7.138 7.041 6.800 7.111 . 0 0 "[ . 1]" 1
1145 1 32 PRO HD2 1 36 TRP HZ3 4.503 . 7.038 6.966 6.886 7.012 . 0 0 "[ . 1]" 1
1146 1 31 CYS HA 1 36 TRP HE3 4.583 . 7.208 6.090 5.700 6.316 . 0 0 "[ . 1]" 1
1147 1 10 GLN HB3 1 10 GLN HE22 4.273 . 6.555 4.321 3.798 4.488 . 0 0 "[ . 1]" 1
1148 1 10 GLN HE22 1 31 CYS HA 4.769 . 7.612 6.817 6.625 7.119 . 0 0 "[ . 1]" 1
1149 1 27 GLN HE22 1 28 LEU QD 4.252 . 6.512 3.294 2.587 4.212 . 0 0 "[ . 1]" 1
1150 1 12 LYS HA 1 27 GLN HE22 3.719 . 5.448 5.026 4.564 5.404 . 0 0 "[ . 1]" 1
1151 1 31 CYS QB 1 32 PRO QG 4.337 . 6.688 4.719 4.627 4.849 . 0 0 "[ . 1]" 1
1152 1 27 GLN QG 1 38 CYS HB3 4.457 . 6.244 3.445 2.170 5.046 . 0 0 "[ . 1]" 1
1153 1 17 VAL HB 1 18 SER HB2 4.621 . 7.291 6.000 5.929 6.056 . 0 0 "[ . 1]" 1
1154 1 18 SER HB2 1 20 LYS HB3 3.791 . 5.588 4.680 4.269 4.984 . 0 0 "[ . 1]" 1
1155 1 12 LYS QB 1 28 LEU QD 3.629 . 5.276 4.388 3.924 4.553 . 0 0 "[ . 1]" 1
1156 1 26 GLU HB2 1 37 THR MG 3.307 . 4.674 4.185 3.909 4.472 . 0 0 "[ . 1]" 1
1157 1 41 GLU QB 1 42 ILE MG 3.702 . 5.415 4.440 4.263 4.643 . 0 0 "[ . 1]" 1
1158 1 2 THR HB 1 3 THR MG 2.315 . 2.985 2.983 2.940 3.096 0.111 6 0 "[ . 1]" 1
1159 1 39 CYS HA 1 39 CYS HB3 2.737 . 3.673 2.836 2.615 2.980 . 0 0 "[ . 1]" 1
1160 1 9 CYS HB2 1 31 CYS HA 3.070 . 4.248 4.226 3.964 4.318 0.070 1 0 "[ . 1]" 1
1161 1 15 HIS HA 1 15 HIS HB2 2.414 . 3.142 2.374 2.356 2.396 . 0 0 "[ . 1]" 1
1162 1 9 CYS HB2 1 38 CYS HA 3.657 . 5.328 4.250 3.722 4.578 . 0 0 "[ . 1]" 1
1163 1 25 GLU HA 1 26 GLU HG3 3.132 . 4.358 4.091 3.898 4.301 . 0 0 "[ . 1]" 1
1164 1 37 THR HA 1 38 CYS HB2 3.636 . 5.288 4.800 4.433 4.982 . 0 0 "[ . 1]" 1
1165 1 19 PRO HA 1 19 PRO HD3 2.466 . 3.226 3.373 3.305 3.404 0.178 10 0 "[ . 1]" 1
1166 1 28 LEU HA 1 38 CYS HB2 3.174 . 4.434 3.470 3.207 4.075 . 0 0 "[ . 1]" 1
1167 1 8 THR HA 1 9 CYS HB2 3.081 . 6.000 4.824 4.514 4.959 . 0 0 "[ . 1]" 1
1168 1 8 THR HA 1 12 LYS QE 2.523 . 6.000 4.670 4.254 5.621 . 0 0 "[ . 1]" 1
1169 1 22 ARG HA 1 23 CYS HB2 3.187 . 4.456 4.437 4.285 4.631 0.175 1 0 "[ . 1]" 1
1170 1 9 CYS HA 1 38 CYS HB2 3.686 . 5.384 4.110 3.430 4.334 . 0 0 "[ . 1]" 1
1171 1 9 CYS HA 1 9 CYS HB3 2.664 . 3.551 2.616 2.494 3.029 . 0 0 "[ . 1]" 1
1172 1 9 CYS HB3 1 29 GLY HA3 3.552 . 5.129 4.152 3.959 4.458 . 0 0 "[ . 1]" 1
1173 1 11 ASP QB 1 12 LYS QG 4.261 . 6.518 3.119 2.118 3.858 . 0 0 "[ . 1]" 1
1174 1 10 GLN HB3 1 15 HIS HB2 4.264 . 6.537 3.534 3.362 3.797 . 0 0 "[ . 1]" 1
1175 1 10 GLN HB2 1 15 HIS HB2 4.164 . 6.332 4.859 4.657 5.145 . 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 16
_Distance_constraint_stats_list.Viol_count 28
_Distance_constraint_stats_list.Viol_total 40.327
_Distance_constraint_stats_list.Viol_max 0.297
_Distance_constraint_stats_list.Viol_rms 0.0685
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0252
_Distance_constraint_stats_list.Viol_average_violations_only 0.1440
_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 15 HIS 0.067 0.024 7 0 "[ . 1]"
1 17 VAL 0.000 0.000 . 0 "[ . 1]"
1 25 GLU 1.550 0.236 8 0 "[ . 1]"
1 27 GLN 2.415 0.297 1 0 "[ . 1]"
1 37 THR 0.000 0.000 . 0 "[ . 1]"
1 38 CYS 2.415 0.297 1 0 "[ . 1]"
1 39 CYS 0.067 0.024 7 0 "[ . 1]"
1 40 LYS 1.550 0.236 8 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 25 GLU O 1 40 LYS H 2.200 . 2.700 1.824 1.729 1.915 0.001 1 0 "[ . 1]" 2
2 1 27 GLN H 1 38 CYS O 2.200 . 2.700 1.866 1.719 2.087 0.011 1 0 "[ . 1]" 2
3 1 27 GLN O 1 38 CYS H 2.200 . 2.700 2.939 2.882 2.997 0.297 1 0 "[ . 1]" 2
4 1 15 HIS H 1 39 CYS O 2.200 . 2.700 2.560 2.315 2.724 0.024 7 0 "[ . 1]" 2
5 1 15 HIS O 1 39 CYS H 2.200 . 2.700 1.980 1.725 2.553 0.005 3 0 "[ . 1]" 2
6 1 15 HIS N 1 39 CYS O 3.200 2.516 3.927 3.062 2.851 3.343 . 0 0 "[ . 1]" 2
7 1 15 HIS O 1 39 CYS N 3.200 2.516 3.927 2.862 2.684 3.326 . 0 0 "[ . 1]" 2
8 1 27 GLN O 1 38 CYS N 3.200 2.516 3.927 3.574 3.501 3.668 . 0 0 "[ . 1]" 2
9 1 25 GLU O 1 40 LYS N 3.200 2.516 3.927 2.690 2.637 2.744 . 0 0 "[ . 1]" 2
10 1 27 GLN N 1 38 CYS O 3.200 2.516 3.927 2.675 2.600 2.785 . 0 0 "[ . 1]" 2
11 1 25 GLU H 1 40 LYS O 2.200 . 2.700 2.855 2.785 2.936 0.236 8 0 "[ . 1]" 2
12 1 25 GLU N 1 40 LYS O 3.200 2.516 3.927 3.592 3.466 3.685 . 0 0 "[ . 1]" 2
13 1 17 VAL H 1 37 THR O 2.200 . 2.700 1.844 1.739 2.058 . 0 0 "[ . 1]" 2
14 1 17 VAL O 1 37 THR H 2.200 . 2.700 2.139 2.004 2.216 . 0 0 "[ . 1]" 2
15 1 17 VAL N 1 37 THR O 3.200 2.516 3.927 2.812 2.714 3.028 . 0 0 "[ . 1]" 2
16 1 17 VAL O 1 37 THR N 3.200 2.516 3.927 2.956 2.863 3.036 . 0 0 "[ . 1]" 2
stop_
save_
Contact the webmaster for help, if required. Sunday, May 5, 2024 3:20:37 PM GMT (wattos1)