NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
576246 |
2m8b   |
19237 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m8b
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 853
_Distance_constraint_stats_list.Viol_count 823
_Distance_constraint_stats_list.Viol_total 843.330
_Distance_constraint_stats_list.Viol_max 0.947
_Distance_constraint_stats_list.Viol_rms 0.0503
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0099
_Distance_constraint_stats_list.Viol_average_violations_only 0.1025
_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 PCA 0.000 0.000 . 0 "[ . 1]"
1 2 ARG 2.610 0.584 9 1 "[ . +1]"
1 3 LEU 4.113 0.223 6 0 "[ . 1]"
1 4 CYS 0.304 0.141 6 0 "[ . 1]"
1 5 GLU 2.415 0.192 7 0 "[ . 1]"
1 6 LYS 3.105 0.821 10 2 "[ .- +]"
1 7 PRO 0.547 0.120 9 0 "[ . 1]"
1 8 SER 0.000 0.000 . 0 "[ . 1]"
1 9 GLY 0.000 0.000 . 0 "[ . 1]"
1 10 THR 1.521 0.193 1 0 "[ . 1]"
1 11 TRP 7.136 0.500 9 0 "[ . 1]"
1 12 SER 2.424 0.204 1 0 "[ . 1]"
1 13 GLY 0.370 0.194 7 0 "[ . 1]"
1 14 VAL 0.311 0.194 7 0 "[ . 1]"
1 15 CYS 3.797 0.426 6 0 "[ . 1]"
1 16 GLY 2.060 0.426 6 0 "[ . 1]"
1 17 ASN 2.246 0.947 6 1 "[ .+ 1]"
1 18 ASN 3.431 0.774 5 2 "[ + - 1]"
1 19 GLY 4.277 0.289 6 0 "[ . 1]"
1 20 ALA 4.996 0.947 6 3 "[- *.+ 1]"
1 21 CYS 1.656 0.639 4 2 "[- +. 1]"
1 22 ARG 4.393 0.565 3 1 "[ + . 1]"
1 23 ASN 5.334 0.521 3 1 "[ + . 1]"
1 24 GLN 4.362 0.500 9 0 "[ . 1]"
1 25 CYS 2.799 0.478 3 0 "[ . 1]"
1 26 ILE 5.278 0.222 2 0 "[ . 1]"
1 27 ARG 7.361 0.652 8 2 "[ * + 1]"
1 28 LEU 2.674 0.652 8 2 "[ - + 1]"
1 29 GLU 3.934 0.478 3 0 "[ . 1]"
1 30 LYS 1.722 0.144 3 0 "[ . 1]"
1 31 ALA 0.655 0.089 3 0 "[ . 1]"
1 32 ARG 2.554 0.168 8 0 "[ . 1]"
1 33 HIS 1.737 0.138 9 0 "[ . 1]"
1 34 GLY 0.622 0.111 10 0 "[ . 1]"
1 35 SER 4.594 0.774 5 2 "[ + * 1]"
1 36 CYS 4.513 0.832 10 4 "[ *. - *+]"
1 37 ASN 11.446 0.789 1 4 "[+ * . *-1]"
1 38 TYR 2.358 0.257 2 0 "[ . 1]"
1 39 VAL 4.946 0.789 1 4 "[+ * . *-1]"
1 40 PHE 3.238 0.318 3 0 "[ . 1]"
1 41 PRO 3.245 0.318 3 0 "[ . 1]"
1 42 ALA 0.209 0.045 1 0 "[ . 1]"
1 43 HIS 0.138 0.047 10 0 "[ . 1]"
1 44 LYS 1.979 0.242 10 0 "[ . 1]"
1 45 CYS 4.921 0.832 10 4 "[ *. - *+]"
1 46 ILE 5.855 0.233 8 0 "[ . 1]"
1 47 CYS 0.173 0.079 9 0 "[ . 1]"
1 48 TYR 5.978 0.613 5 1 "[ + 1]"
1 49 PHE 2.906 0.821 10 2 "[ .- +]"
1 50 PRO 1.825 0.178 3 0 "[ . 1]"
1 51 CYS 2.467 0.223 6 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 PCA HA 1 1 PCA HG2 3.441 . 4.921 3.983 3.962 4.005 . 0 0 "[ . 1]" 1
2 1 2 ARG H 1 2 ARG HB3 2.317 . 2.988 2.856 2.532 3.572 0.584 9 1 "[ . +1]" 1
3 1 2 ARG H 1 2 ARG QD 3.263 . 4.594 3.962 3.062 4.245 . 0 0 "[ . 1]" 1
4 1 2 ARG H 1 2 ARG HG2 2.715 . 3.636 2.472 2.062 3.306 . 0 0 "[ . 1]" 1
5 1 2 ARG H 1 2 ARG HG3 2.451 . 3.202 2.902 1.703 3.733 0.531 9 1 "[ . +1]" 1
6 1 2 ARG HA 1 2 ARG HB2 2.668 . 3.558 2.503 2.377 2.999 . 0 0 "[ . 1]" 1
7 1 2 ARG HA 1 3 LEU H 2.084 . 2.627 2.633 2.144 2.756 0.129 7 0 "[ . 1]" 1
8 1 2 ARG HB2 1 2 ARG HD2 2.289 . 2.944 2.150 2.078 2.396 . 0 0 "[ . 1]" 1
9 1 2 ARG HB3 1 2 ARG QD 2.429 . 3.167 2.763 2.459 3.454 0.287 4 0 "[ . 1]" 1
10 1 2 ARG HB3 1 2 ARG HE 3.360 . 4.771 3.734 2.136 4.615 . 0 0 "[ . 1]" 1
11 1 2 ARG QD 1 3 LEU MD1 3.099 . 4.299 4.179 3.229 4.465 0.166 7 0 "[ . 1]" 1
12 1 2 ARG QD 1 2 ARG HE 2.598 . 3.441 2.478 2.424 2.494 . 0 0 "[ . 1]" 1
13 1 2 ARG QD 1 2 ARG HG2 2.199 . 2.804 2.309 2.157 2.378 . 0 0 "[ . 1]" 1
14 1 2 ARG HE 1 2 ARG HG2 2.925 . 3.994 2.702 2.508 3.553 . 0 0 "[ . 1]" 1
15 1 2 ARG HE 1 2 ARG HG3 3.093 . 4.289 2.813 2.315 3.637 . 0 0 "[ . 1]" 1
16 1 3 LEU H 1 3 LEU HA 2.949 . 4.036 2.843 2.712 2.943 . 0 0 "[ . 1]" 1
17 1 3 LEU H 1 3 LEU HB2 2.513 . 3.303 2.519 2.390 2.684 . 0 0 "[ . 1]" 1
18 1 3 LEU H 1 3 LEU HB3 3.033 . 4.183 3.640 3.536 3.791 . 0 0 "[ . 1]" 1
19 1 3 LEU H 1 3 LEU MD1 3.551 . 5.128 3.561 3.253 4.010 . 0 0 "[ . 1]" 1
20 1 3 LEU H 1 3 LEU QD 3.162 . 4.412 3.234 3.018 3.593 . 0 0 "[ . 1]" 1
21 1 3 LEU H 1 3 LEU MD2 3.262 . 4.592 3.734 3.390 4.096 . 0 0 "[ . 1]" 1
22 1 3 LEU H 1 3 LEU HG 2.556 . 3.372 2.573 2.106 3.174 . 0 0 "[ . 1]" 1
23 1 3 LEU H 1 4 CYS H 3.784 . 5.574 4.521 4.326 4.650 . 0 0 "[ . 1]" 1
24 1 3 LEU HA 1 3 LEU HB2 2.693 . 3.600 3.015 3.003 3.022 . 0 0 "[ . 1]" 1
25 1 3 LEU HA 1 3 LEU HB3 2.493 . 3.270 2.488 2.445 2.546 . 0 0 "[ . 1]" 1
26 1 3 LEU HA 1 3 LEU MD1 3.121 . 4.339 3.901 3.871 3.919 . 0 0 "[ . 1]" 1
27 1 3 LEU HA 1 3 LEU MD2 2.170 . 2.759 2.198 2.113 2.305 . 0 0 "[ . 1]" 1
28 1 3 LEU HA 1 3 LEU HG 2.716 . 3.638 2.933 2.762 3.124 . 0 0 "[ . 1]" 1
29 1 3 LEU HA 1 4 CYS H 2.059 . 2.589 2.252 2.156 2.392 . 0 0 "[ . 1]" 1
30 1 3 LEU HA 1 49 PHE H 3.415 . 4.873 4.309 4.089 4.518 . 0 0 "[ . 1]" 1
31 1 3 LEU HA 1 50 PRO HA 2.505 . 3.289 2.718 2.425 3.215 . 0 0 "[ . 1]" 1
32 1 3 LEU HA 1 51 CYS H 2.644 . 3.518 2.629 2.280 3.196 . 0 0 "[ . 1]" 1
33 1 3 LEU HB2 1 3 LEU MD1 2.249 . 2.881 2.232 2.175 2.292 . 0 0 "[ . 1]" 1
34 1 3 LEU HB2 1 4 CYS H 3.153 . 4.396 3.945 3.665 4.201 . 0 0 "[ . 1]" 1
35 1 3 LEU HB2 1 48 TYR HB3 2.885 . 3.925 3.103 2.754 3.415 . 0 0 "[ . 1]" 1
36 1 3 LEU HB2 1 48 TYR QD 2.650 . 3.528 2.205 1.795 2.533 . 0 0 "[ . 1]" 1
37 1 3 LEU HB3 1 3 LEU MD1 2.427 . 3.163 2.506 2.429 2.584 . 0 0 "[ . 1]" 1
38 1 3 LEU HB3 1 3 LEU QD 2.288 . 2.942 2.109 2.099 2.118 . 0 0 "[ . 1]" 1
39 1 3 LEU HB3 1 3 LEU MD2 2.333 . 3.014 2.272 2.228 2.333 . 0 0 "[ . 1]" 1
40 1 3 LEU HB3 1 3 LEU HG 2.364 . 3.062 3.011 2.997 3.021 . 0 0 "[ . 1]" 1
41 1 3 LEU HB3 1 4 CYS H 2.757 . 3.707 2.857 2.440 3.195 . 0 0 "[ . 1]" 1
42 1 3 LEU HB3 1 48 TYR HB2 2.948 . 4.034 3.892 3.657 4.075 0.041 3 0 "[ . 1]" 1
43 1 3 LEU HB3 1 48 TYR HB3 2.501 . 3.283 2.160 1.943 2.340 . 0 0 "[ . 1]" 1
44 1 3 LEU HB3 1 48 TYR QD 2.601 . 3.446 2.621 2.483 2.726 . 0 0 "[ . 1]" 1
45 1 3 LEU HB3 1 48 TYR QE 3.314 . 4.687 4.797 4.740 4.847 0.160 10 0 "[ . 1]" 1
46 1 3 LEU HB3 1 49 PHE H 3.268 . 4.603 3.551 3.299 3.821 . 0 0 "[ . 1]" 1
47 1 3 LEU HB3 1 51 CYS H 3.283 . 4.630 4.758 4.698 4.853 0.223 6 0 "[ . 1]" 1
48 1 3 LEU QD 1 3 LEU HG 2.070 . 2.606 1.895 1.891 1.898 . 0 0 "[ . 1]" 1
49 1 3 LEU QD 1 32 ARG HE 3.668 . 5.350 5.057 4.266 5.412 0.062 6 0 "[ . 1]" 1
50 1 3 LEU QD 1 33 HIS H 3.569 . 5.161 3.659 3.399 3.894 . 0 0 "[ . 1]" 1
51 1 3 LEU MD1 1 3 LEU HG 2.183 . 2.778 2.127 2.122 2.130 . 0 0 "[ . 1]" 1
52 1 3 LEU MD1 1 33 HIS HB2 2.612 . 3.465 2.959 2.631 3.280 . 0 0 "[ . 1]" 1
53 1 3 LEU MD1 1 33 HIS HB3 3.096 . 4.294 2.263 1.932 2.542 . 0 0 "[ . 1]" 1
54 1 3 LEU MD1 1 33 HIS HD2 3.355 . 4.762 3.294 2.895 3.696 . 0 0 "[ . 1]" 1
55 1 3 LEU MD1 1 48 TYR HB2 2.714 . 3.635 2.729 2.385 2.951 . 0 0 "[ . 1]" 1
56 1 3 LEU MD1 1 48 TYR HB3 2.574 . 3.402 2.099 1.946 2.236 . 0 0 "[ . 1]" 1
57 1 3 LEU MD1 1 48 TYR QD 2.751 . 3.697 2.566 2.073 3.112 . 0 0 "[ . 1]" 1
58 1 3 LEU MD1 1 48 TYR QE 3.189 . 4.461 4.051 3.630 4.355 . 0 0 "[ . 1]" 1
59 1 3 LEU MD2 1 3 LEU HG 2.021 . 2.532 2.128 2.122 2.131 . 0 0 "[ . 1]" 1
60 1 3 LEU MD2 1 4 CYS H 2.846 . 3.858 3.449 3.223 3.680 . 0 0 "[ . 1]" 1
61 1 3 LEU MD2 1 32 ARG H 3.582 . 5.185 4.274 3.823 4.745 . 0 0 "[ . 1]" 1
62 1 3 LEU MD2 1 33 HIS HB3 2.798 . 3.777 3.813 3.777 3.847 0.070 10 0 "[ . 1]" 1
63 1 3 LEU MD2 1 48 TYR QD 3.444 . 4.926 4.007 3.799 4.233 . 0 0 "[ . 1]" 1
64 1 3 LEU MD2 1 49 PHE H 3.300 . 4.662 3.903 3.559 4.178 . 0 0 "[ . 1]" 1
65 1 3 LEU MD2 1 49 PHE HA 3.274 . 4.614 3.406 3.215 3.636 . 0 0 "[ . 1]" 1
66 1 3 LEU MD2 1 50 PRO HA 2.189 . 2.788 1.973 1.851 2.136 . 0 0 "[ . 1]" 1
67 1 3 LEU MD2 1 50 PRO HB2 3.136 . 4.365 4.197 3.971 4.325 . 0 0 "[ . 1]" 1
68 1 3 LEU MD2 1 50 PRO HD3 2.972 . 4.076 3.026 2.762 3.225 . 0 0 "[ . 1]" 1
69 1 3 LEU MD2 1 50 PRO HG2 3.018 . 4.157 4.089 3.762 4.268 0.111 1 0 "[ . 1]" 1
70 1 3 LEU MD2 1 50 PRO HG3 2.647 . 3.523 2.745 2.379 2.949 . 0 0 "[ . 1]" 1
71 1 3 LEU MD2 1 51 CYS H 2.858 . 3.879 3.359 2.976 3.801 . 0 0 "[ . 1]" 1
72 1 3 LEU HG 1 4 CYS H 3.642 . 5.300 4.874 4.681 5.103 . 0 0 "[ . 1]" 1
73 1 3 LEU HG 1 48 TYR HB3 3.555 . 5.135 4.363 4.144 4.549 . 0 0 "[ . 1]" 1
74 1 3 LEU HG 1 48 TYR QD 3.316 . 4.691 4.350 4.029 4.702 0.011 9 0 "[ . 1]" 1
75 1 3 LEU HG 1 50 PRO HA 3.302 . 4.665 4.217 3.922 4.452 . 0 0 "[ . 1]" 1
76 1 4 CYS H 1 4 CYS QB 2.416 . 3.145 2.402 2.281 2.528 . 0 0 "[ . 1]" 1
77 1 4 CYS H 1 5 GLU H 3.566 . 5.155 4.337 4.175 4.416 . 0 0 "[ . 1]" 1
78 1 4 CYS H 1 48 TYR HA 3.694 . 5.400 4.663 4.331 5.093 . 0 0 "[ . 1]" 1
79 1 4 CYS H 1 49 PHE H 2.721 . 3.646 3.382 3.214 3.654 0.008 1 0 "[ . 1]" 1
80 1 4 CYS H 1 49 PHE HB2 3.481 . 4.996 4.366 4.118 4.655 . 0 0 "[ . 1]" 1
81 1 4 CYS H 1 50 PRO HA 3.285 . 4.634 3.580 3.023 3.957 . 0 0 "[ . 1]" 1
82 1 4 CYS H 1 51 CYS H 3.210 . 4.498 3.080 2.897 3.193 . 0 0 "[ . 1]" 1
83 1 4 CYS HA 1 4 CYS QB 2.382 . 3.091 2.440 2.379 2.474 . 0 0 "[ . 1]" 1
84 1 4 CYS HA 1 5 GLU H 2.045 . 2.568 2.125 2.071 2.163 . 0 0 "[ . 1]" 1
85 1 4 CYS QB 1 5 GLU H 2.573 . 3.401 3.294 3.107 3.421 0.020 1 0 "[ . 1]" 1
86 1 4 CYS QB 1 49 PHE H 3.375 . 4.799 3.938 3.516 4.216 . 0 0 "[ . 1]" 1
87 1 4 CYS QB 1 51 CYS HA 2.931 . 4.005 3.383 2.754 4.146 0.141 6 0 "[ . 1]" 1
88 1 5 GLU H 1 5 GLU HA 2.719 . 3.643 2.856 2.823 2.887 . 0 0 "[ . 1]" 1
89 1 5 GLU H 1 5 GLU QB 2.334 . 3.015 2.646 2.568 2.794 . 0 0 "[ . 1]" 1
90 1 5 GLU H 1 5 GLU HG3 2.843 . 3.853 2.676 2.450 2.899 . 0 0 "[ . 1]" 1
91 1 5 GLU HA 1 5 GLU QB 2.410 . 3.136 2.267 2.196 2.303 . 0 0 "[ . 1]" 1
92 1 5 GLU HA 1 5 GLU HG2 2.941 . 4.022 3.657 3.567 3.793 . 0 0 "[ . 1]" 1
93 1 5 GLU HA 1 5 GLU HG3 2.532 . 3.333 2.633 2.518 2.825 . 0 0 "[ . 1]" 1
94 1 5 GLU HA 1 6 LYS H 2.065 . 2.598 2.197 2.129 2.255 . 0 0 "[ . 1]" 1
95 1 5 GLU HA 1 46 ILE MG 2.532 . 3.333 3.176 2.946 3.294 . 0 0 "[ . 1]" 1
96 1 5 GLU HA 1 48 TYR HA 2.570 . 3.395 2.210 2.127 2.334 . 0 0 "[ . 1]" 1
97 1 5 GLU HA 1 48 TYR QD 3.117 . 4.332 3.676 3.373 3.921 . 0 0 "[ . 1]" 1
98 1 5 GLU HA 1 48 TYR QE 3.493 . 5.018 4.548 4.181 4.768 . 0 0 "[ . 1]" 1
99 1 5 GLU HA 1 49 PHE H 3.307 . 4.674 3.210 3.078 3.414 . 0 0 "[ . 1]" 1
100 1 5 GLU HA 1 49 PHE QD 3.242 . 4.556 4.133 3.793 4.572 0.016 2 0 "[ . 1]" 1
101 1 5 GLU QB 1 5 GLU HG2 2.376 . 3.082 2.131 2.123 2.135 . 0 0 "[ . 1]" 1
102 1 5 GLU QB 1 5 GLU HG3 2.076 . 2.615 2.456 2.423 2.476 . 0 0 "[ . 1]" 1
103 1 5 GLU QB 1 6 LYS H 2.665 . 3.553 2.714 2.577 2.944 . 0 0 "[ . 1]" 1
104 1 5 GLU QB 1 46 ILE MD 2.738 . 3.675 3.644 3.434 3.724 0.049 10 0 "[ . 1]" 1
105 1 5 GLU QB 1 46 ILE MG 2.158 . 2.740 1.726 1.653 1.798 . 0 0 "[ . 1]" 1
106 1 5 GLU QB 1 48 TYR QD 2.831 . 3.833 3.971 3.901 4.025 0.192 7 0 "[ . 1]" 1
107 1 5 GLU QB 1 48 TYR QE 3.208 . 4.494 3.747 3.623 3.858 . 0 0 "[ . 1]" 1
108 1 5 GLU HG2 1 46 ILE MG 2.171 . 2.760 2.745 2.604 2.856 0.096 2 0 "[ . 1]" 1
109 1 5 GLU HG2 1 48 TYR QD 3.077 . 4.261 4.081 3.659 4.265 0.004 7 0 "[ . 1]" 1
110 1 5 GLU HG3 1 46 ILE MG 2.612 . 3.465 3.511 3.403 3.594 0.129 1 0 "[ . 1]" 1
111 1 5 GLU HG3 1 48 TYR QE 2.788 . 3.759 2.906 2.186 3.283 . 0 0 "[ . 1]" 1
112 1 6 LYS H 1 6 LYS HA 2.529 . 3.328 2.934 2.923 2.945 . 0 0 "[ . 1]" 1
113 1 6 LYS H 1 6 LYS QB 2.862 . 3.836 2.563 2.451 2.638 . 0 0 "[ . 1]" 1
114 1 6 LYS H 1 6 LYS HG3 3.728 . 5.465 4.773 4.418 5.017 . 0 0 "[ . 1]" 1
115 1 6 LYS H 1 46 ILE MG 2.460 . 3.216 2.637 2.514 2.797 . 0 0 "[ . 1]" 1
116 1 6 LYS H 1 47 CYS H 2.693 . 3.600 3.399 3.183 3.587 . 0 0 "[ . 1]" 1
117 1 6 LYS H 1 47 CYS QB 3.433 . 4.906 3.602 3.516 3.698 . 0 0 "[ . 1]" 1
118 1 6 LYS H 1 48 TYR HA 2.701 . 3.613 3.270 3.117 3.363 . 0 0 "[ . 1]" 1
119 1 6 LYS H 1 49 PHE QD 3.192 . 4.465 3.526 3.352 3.697 . 0 0 "[ . 1]" 1
120 1 6 LYS H 1 49 PHE QE 3.311 . 4.682 4.104 3.964 4.389 . 0 0 "[ . 1]" 1
121 1 6 LYS HA 1 6 LYS HG3 2.663 . 3.549 2.857 2.342 3.622 0.073 10 0 "[ . 1]" 1
122 1 6 LYS HA 1 7 PRO HD2 2.359 . 3.055 2.079 1.928 2.610 . 0 0 "[ . 1]" 1
123 1 6 LYS HA 1 7 PRO HD3 2.224 . 2.842 2.465 1.916 2.619 . 0 0 "[ . 1]" 1
124 1 6 LYS HA 1 46 ILE MG 3.331 . 4.718 3.973 3.851 4.120 . 0 0 "[ . 1]" 1
125 1 6 LYS QB 1 6 LYS HD2 2.123 . 2.687 2.101 1.967 2.275 . 0 0 "[ . 1]" 1
126 1 6 LYS QB 1 6 LYS HD3 1.985 . 2.477 2.508 2.310 2.939 0.462 10 0 "[ . 1]" 1
127 1 6 LYS QB 1 7 PRO HD2 3.087 . 4.278 3.519 2.760 3.970 . 0 0 "[ . 1]" 1
128 1 6 LYS QB 1 47 CYS QB 3.223 . 4.522 2.817 2.638 3.054 . 0 0 "[ . 1]" 1
129 1 6 LYS QB 1 49 PHE QD 2.281 . 2.931 2.063 1.725 2.325 0.047 7 0 "[ . 1]" 1
130 1 6 LYS QB 1 49 PHE QE 2.436 . 3.178 1.987 1.841 2.344 . 0 0 "[ . 1]" 1
131 1 6 LYS HD2 1 49 PHE QD 2.677 . 3.573 3.511 3.309 3.666 0.093 8 0 "[ . 1]" 1
132 1 6 LYS HD3 1 6 LYS QE 2.365 . 3.064 2.299 2.171 2.378 . 0 0 "[ . 1]" 1
133 1 6 LYS HD3 1 6 LYS HG2 2.630 . 3.495 2.439 2.384 2.500 . 0 0 "[ . 1]" 1
134 1 6 LYS HD3 1 49 PHE QD 3.255 . 4.580 3.815 2.214 5.401 0.821 10 2 "[ .- +]" 1
135 1 6 LYS HD3 1 49 PHE QE 3.223 . 4.522 3.228 1.926 4.547 0.025 10 0 "[ . 1]" 1
136 1 6 LYS HG3 1 7 PRO HD2 3.069 . 4.247 3.016 2.341 4.191 . 0 0 "[ . 1]" 1
137 1 7 PRO HA 1 7 PRO HB2 2.384 . 3.094 2.785 2.736 2.951 . 0 0 "[ . 1]" 1
138 1 7 PRO HA 1 7 PRO HB3 2.572 . 3.399 2.281 2.264 2.292 . 0 0 "[ . 1]" 1
139 1 7 PRO HA 1 7 PRO HD2 3.876 . 5.754 4.058 3.925 4.089 . 0 0 "[ . 1]" 1
140 1 7 PRO HA 1 7 PRO HD3 2.949 . 4.036 3.465 3.326 3.770 . 0 0 "[ . 1]" 1
141 1 7 PRO HA 1 7 PRO HG2 3.413 . 4.869 3.886 3.859 3.977 . 0 0 "[ . 1]" 1
142 1 7 PRO HA 1 8 SER H 2.136 . 2.706 2.150 2.124 2.178 . 0 0 "[ . 1]" 1
143 1 7 PRO HA 1 46 ILE MD 2.290 . 2.946 1.831 1.761 1.899 . 0 0 "[ . 1]" 1
144 1 7 PRO HA 1 46 ILE MG 2.524 . 3.320 3.325 3.204 3.391 0.071 2 0 "[ . 1]" 1
145 1 7 PRO HA 1 47 CYS H 2.737 . 3.674 3.625 3.534 3.712 0.038 3 0 "[ . 1]" 1
146 1 7 PRO HB2 1 7 PRO HD2 3.094 . 4.290 3.934 2.977 4.051 . 0 0 "[ . 1]" 1
147 1 7 PRO HB2 1 7 PRO HD3 3.101 . 4.303 3.896 3.882 3.906 . 0 0 "[ . 1]" 1
148 1 7 PRO HB2 1 7 PRO HG2 2.025 . 2.538 2.310 2.302 2.320 . 0 0 "[ . 1]" 1
149 1 7 PRO HB2 1 8 SER H 3.051 . 4.215 3.598 3.340 3.766 . 0 0 "[ . 1]" 1
150 1 7 PRO HB2 1 46 ILE MD 2.796 . 3.773 3.783 3.710 3.893 0.120 9 0 "[ . 1]" 1
151 1 7 PRO HB2 1 46 ILE MG 3.965 . 5.930 5.647 5.570 5.728 . 0 0 "[ . 1]" 1
152 1 7 PRO HB3 1 46 ILE MD 2.472 . 3.236 2.770 2.694 2.936 . 0 0 "[ . 1]" 1
153 1 7 PRO HD2 1 7 PRO HG2 2.423 . 3.157 2.311 2.303 2.316 . 0 0 "[ . 1]" 1
154 1 7 PRO HD2 1 7 PRO HG3 2.659 . 3.543 2.718 2.675 2.991 . 0 0 "[ . 1]" 1
155 1 7 PRO HD3 1 7 PRO HG2 2.551 . 3.365 2.960 2.691 2.994 . 0 0 "[ . 1]" 1
156 1 7 PRO HD3 1 7 PRO HG3 2.374 . 3.078 2.315 2.310 2.321 . 0 0 "[ . 1]" 1
157 1 7 PRO HD3 1 46 ILE MD 3.490 . 5.013 3.398 3.169 3.738 . 0 0 "[ . 1]" 1
158 1 7 PRO HD3 1 46 ILE MG 3.901 . 5.803 4.082 3.843 4.374 . 0 0 "[ . 1]" 1
159 1 7 PRO HG2 1 46 ILE MD 3.412 . 4.867 4.681 4.213 4.837 . 0 0 "[ . 1]" 1
160 1 8 SER H 1 8 SER HA 2.631 . 3.497 2.770 2.737 2.794 . 0 0 "[ . 1]" 1
161 1 8 SER H 1 8 SER QB 2.770 . 3.023 2.390 2.251 2.626 . 0 0 "[ . 1]" 1
162 1 8 SER H 1 8 SER QB 2.268 . 2.911 2.282 2.182 2.438 . 0 0 "[ . 1]" 1
163 1 8 SER H 1 9 GLY H 3.920 . 5.841 4.544 4.425 4.594 . 0 0 "[ . 1]" 1
164 1 8 SER H 1 45 CYS H 3.821 . 5.646 4.861 4.571 5.231 . 0 0 "[ . 1]" 1
165 1 8 SER H 1 46 ILE MD 2.963 . 4.060 2.718 2.488 2.869 . 0 0 "[ . 1]" 1
166 1 8 SER H 1 46 ILE MG 3.598 . 5.217 4.380 4.158 4.538 . 0 0 "[ . 1]" 1
167 1 8 SER H 1 47 CYS H 4.123 . 6.248 3.300 3.077 3.518 . 0 0 "[ . 1]" 1
168 1 8 SER HA 1 8 SER QB 3.056 . 4.224 2.281 2.181 2.393 . 0 0 "[ . 1]" 1
169 1 8 SER HA 1 9 GLY H 2.270 . 2.914 2.141 2.124 2.186 . 0 0 "[ . 1]" 1
170 1 8 SER HA 1 47 CYS QB 3.175 . 4.435 3.776 3.681 3.972 . 0 0 "[ . 1]" 1
171 1 8 SER QB 1 9 GLY H 3.532 . 5.091 3.420 3.075 3.701 . 0 0 "[ . 1]" 1
172 1 8 SER QB 1 11 TRP H 2.952 . 4.041 2.806 2.169 3.698 . 0 0 "[ . 1]" 1
173 1 8 SER QB 1 11 TRP HB2 2.859 . 3.881 2.662 2.180 3.173 . 0 0 "[ . 1]" 1
174 1 8 SER QB 1 11 TRP HD1 3.684 . 5.380 4.897 4.429 5.122 . 0 0 "[ . 1]" 1
175 1 8 SER QB 1 45 CYS H 3.748 . 5.504 4.256 3.867 4.617 . 0 0 "[ . 1]" 1
176 1 8 SER QB 1 45 CYS HB3 2.900 . 3.900 2.393 1.913 2.828 . 0 0 "[ . 1]" 1
177 1 9 GLY H 1 9 GLY HA2 2.791 . 3.765 2.948 2.922 2.956 . 0 0 "[ . 1]" 1
178 1 9 GLY H 1 9 GLY HA3 2.532 . 3.333 2.408 2.353 2.456 . 0 0 "[ . 1]" 1
179 1 9 GLY H 1 10 THR H 2.533 . 3.335 2.322 2.216 2.411 . 0 0 "[ . 1]" 1
180 1 9 GLY H 1 10 THR HG1 3.336 . 4.727 3.206 3.027 3.438 . 0 0 "[ . 1]" 1
181 1 9 GLY HA3 1 10 THR MG 3.213 . 4.504 3.838 3.691 3.976 . 0 0 "[ . 1]" 1
182 1 10 THR H 1 10 THR HA 2.632 . 3.498 2.947 2.943 2.954 . 0 0 "[ . 1]" 1
183 1 10 THR H 1 10 THR HG1 2.574 . 3.402 2.223 2.073 2.356 . 0 0 "[ . 1]" 1
184 1 10 THR H 1 11 TRP HB2 3.457 . 4.951 3.884 3.601 4.027 . 0 0 "[ . 1]" 1
185 1 10 THR H 1 11 TRP HB3 2.999 . 4.123 4.262 4.181 4.316 0.193 1 0 "[ . 1]" 1
186 1 10 THR HA 1 10 THR HB 2.779 . 3.744 2.536 2.504 2.569 . 0 0 "[ . 1]" 1
187 1 10 THR HA 1 10 THR MG 2.157 . 2.738 2.288 2.257 2.324 . 0 0 "[ . 1]" 1
188 1 10 THR HA 1 11 TRP H 2.968 . 4.069 3.342 3.119 3.469 . 0 0 "[ . 1]" 1
189 1 10 THR HA 1 24 GLN HE21 3.367 . 4.784 4.552 4.363 4.802 0.018 9 0 "[ . 1]" 1
190 1 10 THR HB 1 10 THR MG 2.027 . 2.541 2.133 2.131 2.135 . 0 0 "[ . 1]" 1
191 1 10 THR HB 1 24 GLN HE21 2.390 . 3.104 2.795 2.646 2.977 . 0 0 "[ . 1]" 1
192 1 10 THR HG1 1 11 TRP H 3.243 . 4.558 3.408 3.062 3.958 . 0 0 "[ . 1]" 1
193 1 10 THR HG1 1 24 GLN HE21 3.283 . 4.630 2.882 2.650 3.239 . 0 0 "[ . 1]" 1
194 1 10 THR HG1 1 24 GLN HE22 3.676 . 5.365 4.160 4.063 4.245 . 0 0 "[ . 1]" 1
195 1 10 THR MG 1 24 GLN QG 3.372 . 4.793 3.755 3.464 4.831 0.038 6 0 "[ . 1]" 1
196 1 10 THR MG 1 28 LEU HB3 2.487 . 3.260 2.067 1.965 2.169 . 0 0 "[ . 1]" 1
197 1 10 THR MG 1 29 GLU H 3.807 . 5.619 3.951 3.516 4.224 . 0 0 "[ . 1]" 1
198 1 10 THR MG 1 29 GLU HA 2.935 . 4.012 3.933 3.791 4.059 0.047 9 0 "[ . 1]" 1
199 1 10 THR MG 1 29 GLU HG2 2.444 . 3.191 2.378 2.173 2.695 . 0 0 "[ . 1]" 1
200 1 10 THR MG 1 29 GLU HG3 2.655 . 3.536 2.331 1.983 2.580 . 0 0 "[ . 1]" 1
201 1 11 TRP H 1 11 TRP HA 2.498 . 3.278 2.916 2.873 2.942 . 0 0 "[ . 1]" 1
202 1 11 TRP H 1 11 TRP HB2 2.423 . 3.157 2.560 2.363 2.848 . 0 0 "[ . 1]" 1
203 1 11 TRP H 1 11 TRP HB3 2.357 . 3.051 2.727 2.640 2.861 . 0 0 "[ . 1]" 1
204 1 11 TRP H 1 11 TRP HD1 4.128 . 6.258 5.140 5.096 5.196 . 0 0 "[ . 1]" 1
205 1 11 TRP H 1 12 SER H 3.290 . 4.643 4.474 4.398 4.533 . 0 0 "[ . 1]" 1
206 1 11 TRP H 1 24 GLN HE22 4.034 . 6.068 3.452 3.016 4.249 . 0 0 "[ . 1]" 1
207 1 11 TRP HA 1 11 TRP HB2 2.734 . 3.668 2.597 2.569 2.619 . 0 0 "[ . 1]" 1
208 1 11 TRP HA 1 11 TRP HB3 2.565 . 3.388 3.004 2.999 3.014 . 0 0 "[ . 1]" 1
209 1 11 TRP HA 1 11 TRP HD1 3.110 . 4.319 3.906 3.708 4.099 . 0 0 "[ . 1]" 1
210 1 11 TRP HA 1 12 SER H 2.050 . 2.575 2.474 2.438 2.501 . 0 0 "[ . 1]" 1
211 1 11 TRP HA 1 24 GLN HE22 2.542 . 3.350 2.338 2.024 2.943 . 0 0 "[ . 1]" 1
212 1 11 TRP HB2 1 11 TRP HD1 2.878 . 3.914 3.837 3.798 3.867 . 0 0 "[ . 1]" 1
213 1 11 TRP HB2 1 12 SER H 2.744 . 3.685 3.848 3.778 3.889 0.204 1 0 "[ . 1]" 1
214 1 11 TRP HB2 1 45 CYS H 3.783 . 5.572 5.247 4.939 5.621 0.049 9 0 "[ . 1]" 1
215 1 11 TRP HB2 1 45 CYS HB3 2.954 . 4.045 2.983 2.747 3.341 . 0 0 "[ . 1]" 1
216 1 11 TRP HB3 1 11 TRP HD1 2.771 . 3.731 2.735 2.669 2.809 . 0 0 "[ . 1]" 1
217 1 11 TRP HB3 1 12 SER H 2.385 . 3.096 3.151 3.098 3.203 0.107 8 0 "[ . 1]" 1
218 1 11 TRP HB3 1 45 CYS HB3 3.001 . 4.127 2.513 2.239 2.816 . 0 0 "[ . 1]" 1
219 1 11 TRP HD1 1 12 SER H 5.497 . 9.274 2.160 1.861 2.424 . 0 0 "[ . 1]" 1
220 1 11 TRP HD1 1 12 SER HA 2.832 . 3.834 3.659 3.419 3.901 0.067 7 0 "[ . 1]" 1
221 1 11 TRP HD1 1 12 SER QB 3.803 . 5.611 4.317 3.007 4.721 . 0 0 "[ . 1]" 1
222 1 11 TRP HD1 1 13 GLY H 3.240 . 4.552 4.170 3.764 4.530 . 0 0 "[ . 1]" 1
223 1 11 TRP HD1 1 15 CYS HA 3.648 . 5.311 4.381 3.999 4.645 . 0 0 "[ . 1]" 1
224 1 11 TRP HD1 1 15 CYS HB2 3.454 . 4.945 4.275 3.492 5.025 0.080 9 0 "[ . 1]" 1
225 1 11 TRP HD1 1 15 CYS HB3 3.281 . 4.627 4.345 3.306 5.017 0.390 8 0 "[ . 1]" 1
226 1 11 TRP HD1 1 45 CYS H 3.049 . 4.211 3.987 3.607 4.317 0.106 4 0 "[ . 1]" 1
227 1 11 TRP HD1 1 45 CYS HB2 3.079 . 4.264 3.638 3.347 3.924 . 0 0 "[ . 1]" 1
228 1 11 TRP HD1 1 45 CYS HB3 3.052 . 4.216 3.763 3.431 3.964 . 0 0 "[ . 1]" 1
229 1 11 TRP HE1 1 11 TRP HZ2 2.467 . 3.228 2.411 1.766 2.673 . 0 0 "[ . 1]" 1
230 1 11 TRP HE1 1 15 CYS HA 2.172 . 2.762 2.118 1.737 2.373 . 0 0 "[ . 1]" 1
231 1 11 TRP HE3 1 24 GLN HB2 2.691 . 3.596 3.384 3.038 3.641 0.045 1 0 "[ . 1]" 1
232 1 11 TRP HE3 1 24 GLN HB3 2.415 . 3.144 3.117 2.903 3.222 0.078 6 0 "[ . 1]" 1
233 1 11 TRP HE3 1 24 GLN HE21 2.963 . 4.060 2.713 2.420 2.834 . 0 0 "[ . 1]" 1
234 1 11 TRP HE3 1 24 GLN HE22 2.965 . 4.064 2.204 2.014 2.371 . 0 0 "[ . 1]" 1
235 1 11 TRP HH2 1 20 ALA HA 3.504 . 5.038 4.954 4.697 5.093 0.055 8 0 "[ . 1]" 1
236 1 11 TRP HH2 1 20 ALA MB 2.182 . 2.777 2.471 2.299 2.581 . 0 0 "[ . 1]" 1
237 1 11 TRP HZ2 1 15 CYS HA 2.394 . 3.110 2.833 2.174 3.126 0.016 8 0 "[ . 1]" 1
238 1 11 TRP HZ2 1 20 ALA MB 3.195 . 4.471 4.270 3.978 4.490 0.019 3 0 "[ . 1]" 1
239 1 11 TRP HZ3 1 20 ALA MB 2.578 . 3.409 3.205 3.051 3.338 . 0 0 "[ . 1]" 1
240 1 11 TRP HZ3 1 21 CYS HA 2.584 . 3.419 2.695 2.235 3.241 . 0 0 "[ . 1]" 1
241 1 11 TRP HZ3 1 21 CYS HB2 3.445 . 4.929 4.465 3.877 4.917 . 0 0 "[ . 1]" 1
242 1 11 TRP HZ3 1 24 GLN HB2 3.099 . 4.299 2.805 2.553 2.940 . 0 0 "[ . 1]" 1
243 1 11 TRP HZ3 1 24 GLN HB3 2.732 . 3.665 3.660 3.448 4.165 0.500 9 0 "[ . 1]" 1
244 1 12 SER H 1 12 SER HA 2.814 . 3.804 2.886 2.840 2.924 . 0 0 "[ . 1]" 1
245 1 12 SER H 1 12 SER QB 2.539 . 3.345 2.853 2.441 3.297 . 0 0 "[ . 1]" 1
246 1 12 SER H 1 13 GLY H 3.432 . 4.905 4.202 4.092 4.310 . 0 0 "[ . 1]" 1
247 1 12 SER HA 1 12 SER QB 2.462 . 3.220 2.355 2.187 2.426 . 0 0 "[ . 1]" 1
248 1 12 SER HA 1 13 GLY H 2.124 . 2.688 2.268 2.142 2.839 0.151 7 0 "[ . 1]" 1
249 1 12 SER QB 1 13 GLY H 2.910 . 3.969 3.143 1.827 3.808 0.024 7 0 "[ . 1]" 1
250 1 13 GLY H 1 13 GLY HA2 2.235 . 2.860 2.357 2.296 2.816 . 0 0 "[ . 1]" 1
251 1 13 GLY H 1 13 GLY HA3 2.555 . 3.371 2.804 2.288 2.913 . 0 0 "[ . 1]" 1
252 1 13 GLY H 1 14 VAL H 3.513 . 5.056 4.523 3.769 4.627 . 0 0 "[ . 1]" 1
253 1 13 GLY HA2 1 14 VAL H 2.344 . 3.031 2.899 2.739 3.225 0.194 7 0 "[ . 1]" 1
254 1 13 GLY HA2 1 14 VAL QG 3.382 . 4.811 4.008 3.620 4.660 . 0 0 "[ . 1]" 1
255 1 13 GLY HA3 1 14 VAL H 1.993 . 2.490 2.273 2.077 2.419 . 0 0 "[ . 1]" 1
256 1 14 VAL H 1 14 VAL HA 2.442 . 3.188 2.845 2.770 2.879 . 0 0 "[ . 1]" 1
257 1 14 VAL H 1 14 VAL HB 2.251 . 2.885 2.477 2.405 2.542 . 0 0 "[ . 1]" 1
258 1 14 VAL H 1 14 VAL QG 2.294 . 2.952 2.104 1.965 2.253 . 0 0 "[ . 1]" 1
259 1 14 VAL HA 1 14 VAL HB 2.593 . 3.434 2.812 2.470 3.027 . 0 0 "[ . 1]" 1
260 1 14 VAL HA 1 14 VAL QG 2.402 . 3.123 2.178 2.124 2.272 . 0 0 "[ . 1]" 1
261 1 14 VAL HA 1 15 CYS H 2.187 . 2.785 2.241 2.122 2.350 . 0 0 "[ . 1]" 1
262 1 14 VAL HA 1 42 ALA MB 3.317 . 4.693 3.897 3.441 4.394 . 0 0 "[ . 1]" 1
263 1 14 VAL HB 1 14 VAL QG 2.064 . 2.596 1.891 1.889 1.893 . 0 0 "[ . 1]" 1
264 1 14 VAL HB 1 15 CYS H 3.004 . 4.132 4.023 3.902 4.224 0.092 9 0 "[ . 1]" 1
265 1 14 VAL MG1 1 14 VAL MG2 2.555 . 3.371 2.084 2.079 2.092 . 0 0 "[ . 1]" 1
266 1 14 VAL QG 1 15 CYS H 3.100 . 3.840 2.293 1.941 2.775 . 0 0 "[ . 1]" 1
267 1 14 VAL QG 1 42 ALA HA 3.532 . 5.092 3.959 3.182 4.550 . 0 0 "[ . 1]" 1
268 1 15 CYS H 1 16 GLY H 3.057 . 4.225 3.731 3.598 3.844 . 0 0 "[ . 1]" 1
269 1 15 CYS H 1 15 CYS HA 2.938 . 4.017 2.926 2.886 2.943 . 0 0 "[ . 1]" 1
270 1 15 CYS H 1 15 CYS HB3 2.517 . 3.309 2.640 2.217 3.315 0.006 7 0 "[ . 1]" 1
271 1 15 CYS H 1 43 HIS HB2 3.284 . 4.632 3.903 3.531 4.307 . 0 0 "[ . 1]" 1
272 1 15 CYS H 1 43 HIS HB3 3.287 . 4.638 4.048 3.599 4.529 . 0 0 "[ . 1]" 1
273 1 15 CYS HA 1 15 CYS HB2 2.992 . 4.111 2.404 2.308 2.569 . 0 0 "[ . 1]" 1
274 1 15 CYS HA 1 15 CYS HB3 2.848 . 3.862 2.726 2.343 3.016 . 0 0 "[ . 1]" 1
275 1 15 CYS HB2 1 16 GLY H 3.191 . 4.464 3.314 2.428 3.914 . 0 0 "[ . 1]" 1
276 1 15 CYS HB3 1 16 GLY H 2.852 . 3.869 4.010 3.818 4.295 0.426 6 0 "[ . 1]" 1
277 1 16 GLY H 1 16 GLY HA2 2.583 . 3.417 2.924 2.866 2.956 . 0 0 "[ . 1]" 1
278 1 16 GLY H 1 16 GLY HA3 2.704 . 3.618 2.443 2.298 2.630 . 0 0 "[ . 1]" 1
279 1 16 GLY H 1 17 ASN H 2.560 . 3.379 2.259 1.931 2.719 . 0 0 "[ . 1]" 1
280 1 16 GLY HA2 1 17 ASN H 3.046 . 4.206 3.299 2.879 3.556 . 0 0 "[ . 1]" 1
281 1 16 GLY HA3 1 17 ASN H 2.998 . 4.122 3.103 2.532 3.494 . 0 0 "[ . 1]" 1
282 1 16 GLY HA3 1 17 ASN QB 3.238 . 4.548 4.374 4.103 4.473 . 0 0 "[ . 1]" 1
283 1 16 GLY HA3 1 17 ASN HD21 2.496 . 3.275 3.309 3.039 3.410 0.135 1 0 "[ . 1]" 1
284 1 17 ASN H 1 17 ASN HA 2.883 . 3.922 2.910 2.853 2.949 . 0 0 "[ . 1]" 1
285 1 17 ASN HA 1 17 ASN QB 2.480 . 3.249 2.323 2.184 2.447 . 0 0 "[ . 1]" 1
286 1 17 ASN HA 1 18 ASN H 2.167 . 2.754 2.198 2.122 2.466 . 0 0 "[ . 1]" 1
287 1 17 ASN QB 1 17 ASN HD21 2.899 . 3.371 2.198 2.176 2.236 . 0 0 "[ . 1]" 1
288 1 17 ASN QB 1 17 ASN HD22 3.178 . 4.441 3.274 3.259 3.294 . 0 0 "[ . 1]" 1
289 1 17 ASN QB 1 20 ALA H 3.018 . 4.157 2.579 2.053 3.808 . 0 0 "[ . 1]" 1
290 1 17 ASN QB 1 20 ALA MB 2.819 . 3.812 2.371 1.778 3.673 0.048 4 0 "[ . 1]" 1
291 1 17 ASN HD22 1 20 ALA MB 2.978 . 4.087 3.852 1.861 5.034 0.947 6 1 "[ .+ 1]" 1
292 1 18 ASN H 1 18 ASN HA 2.971 . 4.074 2.863 2.770 2.937 . 0 0 "[ . 1]" 1
293 1 18 ASN H 1 18 ASN HB2 2.892 . 3.937 3.003 2.312 3.650 . 0 0 "[ . 1]" 1
294 1 18 ASN H 1 18 ASN HB3 2.799 . 3.778 3.097 2.461 3.649 . 0 0 "[ . 1]" 1
295 1 18 ASN H 1 18 ASN HD21 3.439 . 4.917 4.091 2.514 4.872 . 0 0 "[ . 1]" 1
296 1 18 ASN H 1 18 ASN HD22 3.689 . 5.390 4.504 4.008 5.095 . 0 0 "[ . 1]" 1
297 1 18 ASN HA 1 18 ASN HB2 2.780 . 3.746 2.716 2.377 3.020 . 0 0 "[ . 1]" 1
298 1 18 ASN HA 1 18 ASN HB3 2.774 . 3.736 2.518 2.451 2.602 . 0 0 "[ . 1]" 1
299 1 18 ASN HA 1 36 CYS H 2.565 . 3.388 2.471 1.877 3.007 . 0 0 "[ . 1]" 1
300 1 18 ASN HB2 1 18 ASN HD21 2.728 . 3.658 2.296 2.187 2.984 . 0 0 "[ . 1]" 1
301 1 18 ASN HB2 1 18 ASN HD22 3.089 . 4.282 3.506 3.456 3.805 . 0 0 "[ . 1]" 1
302 1 18 ASN HB2 1 19 GLY H 2.820 . 3.814 3.374 2.506 4.060 0.246 7 0 "[ . 1]" 1
303 1 18 ASN HB2 1 35 SER HA 3.096 . 4.294 3.590 2.128 5.068 0.774 5 2 "[ + - 1]" 1
304 1 18 ASN HB3 1 18 ASN HD21 2.448 . 3.197 2.966 2.172 3.481 0.284 8 0 "[ . 1]" 1
305 1 18 ASN HD21 1 19 GLY H 3.778 . 5.563 4.740 4.336 5.421 . 0 0 "[ . 1]" 1
306 1 18 ASN HD22 1 35 SER HA 3.810 . 5.625 5.412 4.724 5.675 0.050 3 0 "[ . 1]" 1
307 1 19 GLY H 1 19 GLY HA2 2.194 . 2.796 2.858 2.832 2.880 0.084 7 0 "[ . 1]" 1
308 1 19 GLY H 1 19 GLY HA3 2.407 . 3.131 2.304 2.295 2.315 . 0 0 "[ . 1]" 1
309 1 19 GLY H 1 20 ALA H 2.508 . 3.294 2.587 2.497 2.742 . 0 0 "[ . 1]" 1
310 1 19 GLY HA2 1 20 ALA H 2.603 . 3.450 3.533 3.517 3.552 0.102 3 0 "[ . 1]" 1
311 1 19 GLY HA2 1 22 ARG H 2.935 . 4.011 3.015 2.891 3.192 . 0 0 "[ . 1]" 1
312 1 19 GLY HA2 1 22 ARG HB2 3.091 . 4.285 2.964 2.546 3.277 . 0 0 "[ . 1]" 1
313 1 19 GLY HA2 1 22 ARG HB3 3.124 . 4.344 2.355 2.017 2.709 . 0 0 "[ . 1]" 1
314 1 19 GLY HA3 1 20 ALA H 2.868 . 3.896 2.753 2.602 2.871 . 0 0 "[ . 1]" 1
315 1 19 GLY HA3 1 22 ARG H 2.938 . 4.017 4.249 4.180 4.306 0.289 6 0 "[ . 1]" 1
316 1 20 ALA H 1 20 ALA HA 2.459 . 3.215 2.819 2.793 2.834 . 0 0 "[ . 1]" 1
317 1 20 ALA H 1 20 ALA MB 2.127 . 2.692 2.248 2.228 2.263 . 0 0 "[ . 1]" 1
318 1 20 ALA H 1 21 CYS H 2.557 . 3.374 2.624 2.569 2.694 . 0 0 "[ . 1]" 1
319 1 20 ALA H 1 21 CYS HB2 4.045 . 6.090 5.021 4.367 5.292 . 0 0 "[ . 1]" 1
320 1 20 ALA H 1 21 CYS HB3 3.610 . 5.239 4.823 4.487 5.878 0.639 4 2 "[- +. 1]" 1
321 1 20 ALA H 1 22 ARG H 3.455 . 4.947 4.012 3.927 4.137 . 0 0 "[ . 1]" 1
322 1 20 ALA HA 1 20 ALA MB 2.012 . 2.518 2.137 2.131 2.141 . 0 0 "[ . 1]" 1
323 1 20 ALA HA 1 23 ASN HB2 2.641 . 3.513 3.304 2.504 3.526 0.013 10 0 "[ . 1]" 1
324 1 20 ALA HA 1 23 ASN HB3 2.922 . 3.989 2.736 2.459 4.073 0.084 9 0 "[ . 1]" 1
325 1 20 ALA HA 1 23 ASN HD21 3.134 . 4.362 3.314 2.857 3.563 . 0 0 "[ . 1]" 1
326 1 20 ALA HA 1 23 ASN HD22 3.437 . 4.914 4.959 4.339 5.097 0.183 7 0 "[ . 1]" 1
327 1 20 ALA MB 1 21 CYS H 2.519 . 3.312 2.532 2.472 2.595 . 0 0 "[ . 1]" 1
328 1 20 ALA MB 1 21 CYS HA 3.110 . 4.319 3.957 3.923 3.975 . 0 0 "[ . 1]" 1
329 1 21 CYS H 1 21 CYS HB2 2.622 . 3.481 2.567 2.083 2.741 . 0 0 "[ . 1]" 1
330 1 21 CYS H 1 21 CYS HB3 2.439 . 3.183 2.579 2.311 3.487 0.304 4 0 "[ . 1]" 1
331 1 21 CYS H 1 22 ARG H 2.549 . 3.361 2.717 2.568 2.807 . 0 0 "[ . 1]" 1
332 1 21 CYS HA 1 21 CYS HB2 2.419 . 3.151 2.376 2.287 2.664 . 0 0 "[ . 1]" 1
333 1 21 CYS HA 1 21 CYS HB3 2.842 . 3.852 2.963 2.685 3.028 . 0 0 "[ . 1]" 1
334 1 21 CYS HA 1 24 GLN HB2 2.900 . 3.951 3.452 2.699 3.778 . 0 0 "[ . 1]" 1
335 1 21 CYS HA 1 24 GLN HB3 2.992 . 4.111 3.431 2.935 4.049 . 0 0 "[ . 1]" 1
336 1 21 CYS HB2 1 22 ARG H 2.904 . 3.958 3.682 2.689 3.957 . 0 0 "[ . 1]" 1
337 1 21 CYS HB3 1 22 ARG H 2.614 . 3.468 2.618 2.443 3.059 . 0 0 "[ . 1]" 1
338 1 22 ARG H 1 22 ARG HA 2.611 . 3.463 2.806 2.769 2.836 . 0 0 "[ . 1]" 1
339 1 22 ARG H 1 22 ARG HB2 2.110 . 2.666 2.518 2.471 2.628 . 0 0 "[ . 1]" 1
340 1 22 ARG H 1 22 ARG HD3 3.658 . 5.331 4.961 4.767 5.896 0.565 3 1 "[ + . 1]" 1
341 1 22 ARG H 1 22 ARG QG 3.065 . 4.240 3.969 3.954 3.978 . 0 0 "[ . 1]" 1
342 1 22 ARG H 1 23 ASN H 2.690 . 3.594 2.708 2.605 2.803 . 0 0 "[ . 1]" 1
343 1 22 ARG HA 1 26 ILE MD 3.321 . 4.700 3.568 3.439 3.709 . 0 0 "[ . 1]" 1
344 1 22 ARG HA 1 23 ASN H 2.916 . 3.979 3.512 3.498 3.543 . 0 0 "[ . 1]" 1
345 1 22 ARG HA 1 25 CYS H 3.207 . 4.493 3.785 3.662 3.902 . 0 0 "[ . 1]" 1
346 1 22 ARG HA 1 26 ILE MD 2.848 . 3.862 3.775 3.639 3.874 0.012 6 0 "[ . 1]" 1
347 1 22 ARG HA 1 34 GLY H 2.933 . 4.008 3.483 3.090 4.016 0.008 3 0 "[ . 1]" 1
348 1 22 ARG HA 1 34 GLY HA2 3.054 . 4.220 3.827 3.577 4.232 0.012 3 0 "[ . 1]" 1
349 1 22 ARG HA 1 34 GLY HA3 2.523 . 3.319 2.118 1.844 2.513 . 0 0 "[ . 1]" 1
350 1 22 ARG HA 1 35 SER H 3.706 . 5.423 4.223 4.041 4.348 . 0 0 "[ . 1]" 1
351 1 22 ARG QB 1 22 ARG HD2 2.684 . 3.584 3.127 2.462 3.300 . 0 0 "[ . 1]" 1
352 1 22 ARG HB2 1 22 ARG HD3 2.622 . 3.481 2.643 2.439 3.599 0.118 3 0 "[ . 1]" 1
353 1 22 ARG HB2 1 22 ARG HE 3.272 . 4.610 3.562 2.338 4.466 . 0 0 "[ . 1]" 1
354 1 22 ARG HB2 1 34 GLY H 3.198 . 4.477 3.391 2.803 3.969 . 0 0 "[ . 1]" 1
355 1 22 ARG HB3 1 23 ASN H 2.231 . 2.853 2.290 2.191 2.452 . 0 0 "[ . 1]" 1
356 1 22 ARG HD2 1 22 ARG HE 2.789 . 3.761 2.706 2.507 2.943 . 0 0 "[ . 1]" 1
357 1 22 ARG HD2 1 22 ARG QG 2.323 . 2.998 2.199 2.170 2.306 . 0 0 "[ . 1]" 1
358 1 22 ARG HD2 1 33 HIS HE1 2.777 . 3.741 3.525 2.361 3.786 0.045 2 0 "[ . 1]" 1
359 1 22 ARG HD3 1 22 ARG HE 2.683 . 3.583 2.809 2.382 2.952 . 0 0 "[ . 1]" 1
360 1 22 ARG HD3 1 22 ARG QG 2.583 . 3.417 2.342 2.170 2.408 . 0 0 "[ . 1]" 1
361 1 22 ARG HD3 1 23 ASN H 3.614 . 5.247 5.158 4.660 5.768 0.521 3 1 "[ + . 1]" 1
362 1 22 ARG HD3 1 26 ILE MD 3.152 . 4.394 4.329 3.705 4.478 0.084 4 0 "[ . 1]" 1
363 1 22 ARG HD3 1 33 HIS HE1 2.403 . 3.125 3.023 2.280 3.263 0.138 9 0 "[ . 1]" 1
364 1 22 ARG HD3 1 34 GLY H 3.544 . 5.114 3.391 2.936 3.881 . 0 0 "[ . 1]" 1
365 1 22 ARG HE 1 22 ARG QG 2.866 . 3.892 2.508 2.371 3.034 . 0 0 "[ . 1]" 1
366 1 22 ARG QG 1 33 HIS HE1 3.118 . 4.333 4.271 4.044 4.379 0.046 9 0 "[ . 1]" 1
367 1 22 ARG HG2 1 23 ASN H 2.734 . 3.669 3.299 3.181 3.417 . 0 0 "[ . 1]" 1
368 1 22 ARG HG2 1 23 ASN HA 3.210 . 4.498 3.525 3.282 3.725 . 0 0 "[ . 1]" 1
369 1 22 ARG HG3 1 34 GLY H 2.537 . 3.342 1.962 1.784 2.303 . 0 0 "[ . 1]" 1
370 1 23 ASN H 1 23 ASN HA 2.259 . 2.897 2.762 2.744 2.786 . 0 0 "[ . 1]" 1
371 1 23 ASN H 1 23 ASN HB2 2.200 . 2.805 2.392 2.191 2.505 . 0 0 "[ . 1]" 1
372 1 23 ASN H 1 23 ASN HB3 2.460 . 3.216 2.583 2.405 3.465 0.249 9 0 "[ . 1]" 1
373 1 23 ASN H 1 23 ASN HD22 4.116 . 6.234 5.581 4.399 5.743 . 0 0 "[ . 1]" 1
374 1 23 ASN HA 1 23 ASN HB2 2.583 . 3.417 2.507 2.409 2.985 . 0 0 "[ . 1]" 1
375 1 23 ASN HA 1 23 ASN HB3 2.489 . 3.263 2.985 2.620 3.028 . 0 0 "[ . 1]" 1
376 1 23 ASN HA 1 24 GLN H 2.625 . 3.486 3.538 3.526 3.548 0.062 7 0 "[ . 1]" 1
377 1 23 ASN HA 1 26 ILE H 2.614 . 3.468 3.412 3.220 3.495 0.027 10 0 "[ . 1]" 1
378 1 23 ASN HA 1 26 ILE MD 2.584 . 3.419 3.602 3.560 3.641 0.222 2 0 "[ . 1]" 1
379 1 23 ASN HA 1 26 ILE HG13 2.449 . 3.198 2.566 2.475 2.645 . 0 0 "[ . 1]" 1
380 1 23 ASN HA 1 26 ILE MG 3.078 . 4.262 4.033 3.911 4.133 . 0 0 "[ . 1]" 1
381 1 23 ASN HA 1 27 ARG H 3.141 . 4.374 4.233 3.960 4.385 0.011 3 0 "[ . 1]" 1
382 1 23 ASN HB2 1 23 ASN HD21 2.685 . 3.586 2.822 2.240 3.365 . 0 0 "[ . 1]" 1
383 1 23 ASN HB2 1 23 ASN HD22 2.881 . 3.919 3.728 3.461 3.980 0.061 1 0 "[ . 1]" 1
384 1 23 ASN HB2 1 24 GLN H 2.730 . 3.662 3.677 2.873 3.833 0.171 1 0 "[ . 1]" 1
385 1 23 ASN HB3 1 23 ASN HD22 2.861 . 3.884 3.501 3.427 3.751 . 0 0 "[ . 1]" 1
386 1 23 ASN HB3 1 24 GLN H 2.621 . 3.480 2.524 2.367 3.481 0.001 9 0 "[ . 1]" 1
387 1 24 GLN H 1 24 GLN HA 2.497 . 3.277 2.812 2.797 2.850 . 0 0 "[ . 1]" 1
388 1 24 GLN H 1 24 GLN HB2 2.458 . 3.213 2.306 2.157 2.413 . 0 0 "[ . 1]" 1
389 1 24 GLN H 1 24 GLN HB3 2.631 . 3.496 2.872 2.682 3.474 . 0 0 "[ . 1]" 1
390 1 24 GLN HA 1 24 GLN HB3 2.380 . 3.088 2.341 2.284 2.501 . 0 0 "[ . 1]" 1
391 1 24 GLN HA 1 28 LEU HG 2.957 . 4.050 3.310 2.952 3.568 . 0 0 "[ . 1]" 1
392 1 24 GLN HB2 1 24 GLN HE21 2.995 . 4.116 3.681 2.926 3.917 . 0 0 "[ . 1]" 1
393 1 24 GLN HB2 1 24 GLN HE22 3.657 . 5.329 4.271 3.961 4.400 . 0 0 "[ . 1]" 1
394 1 24 GLN HB2 1 25 CYS H 2.606 . 3.455 3.467 2.860 3.596 0.141 5 0 "[ . 1]" 1
395 1 24 GLN HB2 1 28 LEU MD1 3.043 . 4.201 4.265 4.108 4.624 0.423 9 0 "[ . 1]" 1
396 1 24 GLN HB3 1 24 GLN HE21 2.357 . 3.051 2.643 1.657 2.902 0.006 6 0 "[ . 1]" 1
397 1 24 GLN HB3 1 24 GLN HE22 2.861 . 3.884 3.770 3.262 3.910 0.026 8 0 "[ . 1]" 1
398 1 24 GLN HB3 1 25 CYS H 2.541 . 3.348 2.461 2.256 3.035 . 0 0 "[ . 1]" 1
399 1 24 GLN HE21 1 28 LEU MD1 2.696 . 3.604 3.336 2.537 3.526 . 0 0 "[ . 1]" 1
400 1 24 GLN HE22 1 28 LEU MD1 2.961 . 4.057 4.001 3.373 4.113 0.056 4 0 "[ . 1]" 1
401 1 24 GLN QG 1 28 LEU MD1 2.436 . 3.178 1.914 1.846 2.202 . 0 0 "[ . 1]" 1
402 1 24 GLN QG 1 28 LEU MD2 3.203 . 4.485 4.007 3.895 4.150 . 0 0 "[ . 1]" 1
403 1 24 GLN QG 1 28 LEU HG 3.092 . 4.287 2.978 2.832 3.250 . 0 0 "[ . 1]" 1
404 1 25 CYS H 1 25 CYS HA 2.764 . 3.719 2.785 2.765 2.805 . 0 0 "[ . 1]" 1
405 1 25 CYS H 1 25 CYS HB2 2.355 . 3.049 2.502 2.437 2.532 . 0 0 "[ . 1]" 1
406 1 25 CYS H 1 25 CYS HB3 2.961 . 4.057 3.594 3.581 3.610 . 0 0 "[ . 1]" 1
407 1 25 CYS H 1 26 ILE H 2.217 . 2.831 2.517 2.484 2.555 . 0 0 "[ . 1]" 1
408 1 25 CYS HA 1 25 CYS HB2 2.991 . 4.109 3.027 3.023 3.030 . 0 0 "[ . 1]" 1
409 1 25 CYS HA 1 26 ILE H 2.812 . 3.801 3.560 3.542 3.570 . 0 0 "[ . 1]" 1
410 1 25 CYS HA 1 29 GLU H 2.845 . 3.857 2.917 2.821 3.072 . 0 0 "[ . 1]" 1
411 1 25 CYS HA 1 29 GLU HB3 2.797 . 3.775 3.927 3.860 4.253 0.478 3 0 "[ . 1]" 1
412 1 25 CYS HA 1 29 GLU HG3 3.027 . 4.173 3.027 2.649 3.828 . 0 0 "[ . 1]" 1
413 1 25 CYS HA 1 31 ALA MB 2.741 . 3.680 3.399 3.354 3.462 . 0 0 "[ . 1]" 1
414 1 25 CYS HB2 1 26 ILE H 2.504 . 3.288 2.657 2.598 2.701 . 0 0 "[ . 1]" 1
415 1 25 CYS HB2 1 31 ALA MB 2.463 . 3.221 2.813 2.641 2.917 . 0 0 "[ . 1]" 1
416 1 25 CYS HB2 1 47 CYS HA 3.296 . 4.654 3.704 3.613 3.807 . 0 0 "[ . 1]" 1
417 1 25 CYS HB3 1 26 ILE H 2.693 . 3.600 3.635 3.601 3.660 0.060 9 0 "[ . 1]" 1
418 1 25 CYS HB3 1 31 ALA MB 2.124 . 2.688 1.845 1.778 1.927 . 0 0 "[ . 1]" 1
419 1 25 CYS HB3 1 47 CYS HA 3.170 . 4.426 3.261 3.166 3.380 . 0 0 "[ . 1]" 1
420 1 26 ILE H 1 26 ILE HA 2.509 . 3.296 2.787 2.776 2.799 . 0 0 "[ . 1]" 1
421 1 26 ILE H 1 26 ILE HB 2.166 . 2.752 2.786 2.770 2.811 0.059 10 0 "[ . 1]" 1
422 1 26 ILE H 1 26 ILE MD 2.158 . 2.740 2.611 2.578 2.646 . 0 0 "[ . 1]" 1
423 1 26 ILE H 1 26 ILE HG12 2.276 . 2.923 1.956 1.929 1.997 . 0 0 "[ . 1]" 1
424 1 26 ILE H 1 26 ILE MG 2.750 . 3.696 3.764 3.757 3.773 0.077 6 0 "[ . 1]" 1
425 1 26 ILE HA 1 26 ILE HB 2.731 . 3.664 3.016 3.012 3.020 . 0 0 "[ . 1]" 1
426 1 26 ILE HA 1 26 ILE MD 2.196 . 2.799 2.178 2.148 2.246 . 0 0 "[ . 1]" 1
427 1 26 ILE HA 1 26 ILE HG12 2.701 . 3.613 3.349 3.317 3.382 . 0 0 "[ . 1]" 1
428 1 26 ILE HA 1 26 ILE MG 2.112 . 2.670 2.296 2.271 2.311 . 0 0 "[ . 1]" 1
429 1 26 ILE HA 1 27 ARG H 3.008 . 4.139 3.529 3.518 3.537 . 0 0 "[ . 1]" 1
430 1 26 ILE HA 1 30 LYS H 3.136 . 4.365 4.254 4.085 4.389 0.024 3 0 "[ . 1]" 1
431 1 26 ILE HA 1 30 LYS HA 3.164 . 4.415 3.877 3.784 3.965 . 0 0 "[ . 1]" 1
432 1 26 ILE HA 1 31 ALA H 2.355 . 3.048 2.862 2.705 3.023 . 0 0 "[ . 1]" 1
433 1 26 ILE HB 1 26 ILE HG12 2.107 . 2.662 2.403 2.396 2.410 . 0 0 "[ . 1]" 1
434 1 26 ILE HB 1 26 ILE MG 2.029 . 2.543 2.121 2.119 2.123 . 0 0 "[ . 1]" 1
435 1 26 ILE HB 1 27 ARG H 2.441 . 3.186 2.113 1.958 2.196 . 0 0 "[ . 1]" 1
436 1 26 ILE MD 1 26 ILE HG12 1.797 . 2.201 2.103 2.102 2.104 . 0 0 "[ . 1]" 1
437 1 26 ILE MD 1 26 ILE HG13 2.131 . 2.698 2.110 2.109 2.111 . 0 0 "[ . 1]" 1
438 1 26 ILE MD 1 26 ILE MG 1.905 . 2.358 2.066 2.041 2.099 . 0 0 "[ . 1]" 1
439 1 26 ILE MD 1 27 ARG H 3.042 . 4.198 4.352 4.336 4.366 0.168 1 0 "[ . 1]" 1
440 1 26 ILE MD 1 32 ARG HA 2.627 . 3.490 3.284 3.109 3.521 0.031 6 0 "[ . 1]" 1
441 1 26 ILE MD 1 33 HIS HA 2.487 . 3.260 2.644 2.488 2.825 . 0 0 "[ . 1]" 1
442 1 26 ILE MD 1 34 GLY H 3.461 . 4.958 3.792 3.598 3.998 . 0 0 "[ . 1]" 1
443 1 26 ILE HG12 1 27 ARG H 3.327 . 4.710 3.705 3.617 3.743 . 0 0 "[ . 1]" 1
444 1 26 ILE MG 1 27 ARG H 2.722 . 3.648 3.339 3.203 3.410 . 0 0 "[ . 1]" 1
445 1 26 ILE MG 1 27 ARG HA 2.549 . 3.361 3.324 3.217 3.390 0.029 4 0 "[ . 1]" 1
446 1 26 ILE MG 1 30 LYS HA 3.110 . 4.319 4.265 4.170 4.337 0.018 8 0 "[ . 1]" 1
447 1 26 ILE MG 1 31 ALA H 3.493 . 5.018 4.517 4.359 4.656 . 0 0 "[ . 1]" 1
448 1 26 ILE MG 1 32 ARG HA 3.234 . 4.541 3.811 3.492 4.192 . 0 0 "[ . 1]" 1
449 1 27 ARG H 1 27 ARG HA 2.467 . 3.228 2.851 2.817 2.879 . 0 0 "[ . 1]" 1
450 1 27 ARG H 1 27 ARG HB2 2.598 . 3.441 2.888 2.534 3.573 0.132 3 0 "[ . 1]" 1
451 1 27 ARG H 1 27 ARG HB3 3.246 . 4.563 3.355 2.724 3.620 . 0 0 "[ . 1]" 1
452 1 27 ARG H 1 27 ARG HG2 2.789 . 3.761 2.558 1.728 3.359 0.089 3 0 "[ . 1]" 1
453 1 27 ARG H 1 27 ARG HG3 2.393 . 3.109 2.623 1.955 3.629 0.520 8 1 "[ . + 1]" 1
454 1 27 ARG H 1 28 LEU H 2.736 . 3.672 2.652 2.561 2.759 . 0 0 "[ . 1]" 1
455 1 27 ARG H 1 29 GLU H 3.762 . 5.531 4.169 3.985 4.526 . 0 0 "[ . 1]" 1
456 1 27 ARG HA 1 27 ARG HB2 2.395 . 3.112 2.860 2.486 3.022 . 0 0 "[ . 1]" 1
457 1 27 ARG HA 1 27 ARG HB3 2.756 . 3.705 2.386 2.327 2.426 . 0 0 "[ . 1]" 1
458 1 27 ARG HA 1 27 ARG HG2 2.707 . 3.623 3.041 2.584 3.595 . 0 0 "[ . 1]" 1
459 1 27 ARG HA 1 27 ARG HG3 2.515 . 3.306 3.475 3.068 3.789 0.483 3 0 "[ . 1]" 1
460 1 27 ARG HB2 1 27 ARG HE 3.235 . 4.543 3.416 1.918 4.614 0.071 8 0 "[ . 1]" 1
461 1 27 ARG HB2 1 28 LEU H 2.693 . 3.599 2.661 2.137 3.625 0.026 2 0 "[ . 1]" 1
462 1 27 ARG HB3 1 27 ARG HE 3.301 . 4.663 3.121 2.220 4.487 . 0 0 "[ . 1]" 1
463 1 27 ARG HD2 1 27 ARG HE 2.616 . 3.472 2.743 2.582 2.948 . 0 0 "[ . 1]" 1
464 1 27 ARG HD3 1 27 ARG HE 2.690 . 3.595 2.818 2.519 2.935 . 0 0 "[ . 1]" 1
465 1 27 ARG HE 1 27 ARG HG2 3.427 . 4.895 2.799 2.388 3.636 . 0 0 "[ . 1]" 1
466 1 27 ARG HE 1 27 ARG HG3 3.218 . 4.513 3.115 2.412 3.651 . 0 0 "[ . 1]" 1
467 1 27 ARG HG3 1 28 LEU H 2.842 . 3.852 3.542 2.161 4.504 0.652 8 2 "[ - + 1]" 1
468 1 28 LEU H 1 28 LEU HA 2.527 . 3.325 2.883 2.854 2.918 . 0 0 "[ . 1]" 1
469 1 28 LEU H 1 28 LEU HB2 2.469 . 3.231 2.487 2.439 2.531 . 0 0 "[ . 1]" 1
470 1 28 LEU H 1 28 LEU HB3 2.809 . 3.795 3.623 3.597 3.655 . 0 0 "[ . 1]" 1
471 1 28 LEU H 1 28 LEU MD1 2.919 . 3.984 3.764 3.583 3.902 . 0 0 "[ . 1]" 1
472 1 28 LEU H 1 28 LEU MD2 3.109 . 4.317 3.325 3.199 3.455 . 0 0 "[ . 1]" 1
473 1 28 LEU H 1 28 LEU HG 2.505 . 3.289 2.447 2.211 2.591 . 0 0 "[ . 1]" 1
474 1 28 LEU H 1 29 GLU H 2.301 . 2.963 2.510 2.339 2.676 . 0 0 "[ . 1]" 1
475 1 28 LEU H 1 30 LYS H 3.207 . 4.493 3.663 3.459 3.806 . 0 0 "[ . 1]" 1
476 1 28 LEU HA 1 28 LEU HB2 2.497 . 3.277 3.014 3.012 3.018 . 0 0 "[ . 1]" 1
477 1 28 LEU HA 1 28 LEU HB2 2.532 . 3.334 2.691 2.685 2.694 . 0 0 "[ . 1]" 1
478 1 28 LEU HA 1 28 LEU HB3 2.393 . 3.109 2.461 2.427 2.494 . 0 0 "[ . 1]" 1
479 1 28 LEU HA 1 28 LEU MD1 3.100 . 4.301 3.830 3.795 3.880 . 0 0 "[ . 1]" 1
480 1 28 LEU HA 1 28 LEU MD2 2.068 . 2.603 2.017 1.980 2.098 . 0 0 "[ . 1]" 1
481 1 28 LEU HA 1 28 LEU HG 2.806 . 3.790 3.172 3.097 3.286 . 0 0 "[ . 1]" 1
482 1 28 LEU HA 1 29 GLU H 3.140 . 4.372 3.541 3.486 3.577 . 0 0 "[ . 1]" 1
483 1 28 LEU HB2 1 28 LEU MD1 2.327 . 3.004 2.368 2.320 2.416 . 0 0 "[ . 1]" 1
484 1 28 LEU HB2 1 28 LEU MD2 2.767 . 3.724 3.200 3.198 3.202 . 0 0 "[ . 1]" 1
485 1 28 LEU HB2 1 28 LEU HG 2.473 . 3.238 2.439 2.399 2.482 . 0 0 "[ . 1]" 1
486 1 28 LEU HB2 1 29 GLU H 2.786 . 3.756 2.690 2.284 3.028 . 0 0 "[ . 1]" 1
487 1 28 LEU HB3 1 28 LEU MD1 2.490 . 3.265 2.343 2.308 2.391 . 0 0 "[ . 1]" 1
488 1 28 LEU HB3 1 28 LEU MD2 2.280 . 2.930 2.405 2.347 2.478 . 0 0 "[ . 1]" 1
489 1 28 LEU HB3 1 29 GLU H 3.227 . 4.529 3.702 3.303 3.981 . 0 0 "[ . 1]" 1
490 1 28 LEU HB3 1 29 GLU HA 3.246 . 4.563 4.400 4.239 4.523 . 0 0 "[ . 1]" 1
491 1 28 LEU HB3 1 29 GLU HG3 2.908 . 3.965 3.636 3.472 3.830 . 0 0 "[ . 1]" 1
492 1 28 LEU MD1 1 28 LEU MD2 2.179 . 2.773 2.082 2.079 2.085 . 0 0 "[ . 1]" 1
493 1 28 LEU MD1 1 28 LEU HG 2.337 . 3.020 2.125 2.123 2.126 . 0 0 "[ . 1]" 1
494 1 28 LEU MD1 1 29 GLU H 4.385 . 6.789 4.621 4.309 4.858 . 0 0 "[ . 1]" 1
495 1 28 LEU MD2 1 28 LEU HG 2.240 . 2.867 2.127 2.125 2.129 . 0 0 "[ . 1]" 1
496 1 28 LEU MD2 1 29 GLU H 3.658 . 5.330 4.633 4.538 4.701 . 0 0 "[ . 1]" 1
497 1 29 GLU H 1 29 GLU HA 2.487 . 3.260 2.924 2.893 2.942 . 0 0 "[ . 1]" 1
498 1 29 GLU H 1 29 GLU HB2 2.630 . 3.495 2.504 2.280 2.621 . 0 0 "[ . 1]" 1
499 1 29 GLU H 1 29 GLU HB3 2.886 . 3.927 3.684 3.556 3.758 . 0 0 "[ . 1]" 1
500 1 29 GLU H 1 29 GLU HG2 2.904 . 3.958 3.661 3.442 3.838 . 0 0 "[ . 1]" 1
501 1 29 GLU H 1 29 GLU HG3 2.646 . 3.521 2.794 2.680 2.912 . 0 0 "[ . 1]" 1
502 1 29 GLU H 1 30 LYS H 2.305 . 2.969 2.228 2.105 2.432 . 0 0 "[ . 1]" 1
503 1 29 GLU H 1 31 ALA H 3.251 . 4.572 3.608 3.474 3.790 . 0 0 "[ . 1]" 1
504 1 29 GLU HA 1 29 GLU HB2 2.496 . 3.275 3.015 2.995 3.021 . 0 0 "[ . 1]" 1
505 1 29 GLU HA 1 29 GLU HB3 2.804 . 3.787 2.494 2.460 2.590 . 0 0 "[ . 1]" 1
506 1 29 GLU HA 1 29 GLU HG2 2.522 . 3.317 2.347 2.296 2.390 . 0 0 "[ . 1]" 1
507 1 29 GLU HA 1 29 GLU HG3 2.840 . 3.848 3.156 2.885 3.299 . 0 0 "[ . 1]" 1
508 1 29 GLU HA 1 30 LYS H 2.388 . 3.101 3.187 3.143 3.214 0.113 2 0 "[ . 1]" 1
509 1 29 GLU HB2 1 29 GLU HG2 2.631 . 3.496 3.000 2.983 3.007 . 0 0 "[ . 1]" 1
510 1 29 GLU HB2 1 29 GLU HG3 2.330 . 3.009 2.352 2.309 2.385 . 0 0 "[ . 1]" 1
511 1 29 GLU HB2 1 31 ALA MB 2.351 . 3.042 3.096 3.044 3.131 0.089 3 0 "[ . 1]" 1
512 1 29 GLU HB2 1 49 PHE HZ 2.377 . 3.083 3.087 2.975 3.149 0.066 10 0 "[ . 1]" 1
513 1 29 GLU HB3 1 29 GLU HG2 2.649 . 3.526 2.539 2.498 2.584 . 0 0 "[ . 1]" 1
514 1 29 GLU HB3 1 49 PHE QE 2.954 . 4.045 3.441 3.119 3.678 . 0 0 "[ . 1]" 1
515 1 29 GLU HB3 1 49 PHE HZ 3.302 . 4.665 2.088 1.889 2.302 0.050 3 0 "[ . 1]" 1
516 1 29 GLU HG3 1 30 LYS H 3.289 . 4.641 4.705 4.655 4.785 0.144 3 0 "[ . 1]" 1
517 1 30 LYS H 1 30 LYS HA 2.024 . 2.536 2.269 2.260 2.281 . 0 0 "[ . 1]" 1
518 1 30 LYS H 1 30 LYS HB2 2.718 . 3.641 3.557 3.492 3.654 0.013 2 0 "[ . 1]" 1
519 1 30 LYS H 1 30 LYS HB3 3.211 . 4.500 4.050 4.031 4.069 . 0 0 "[ . 1]" 1
520 1 30 LYS H 1 30 LYS QG 2.427 . 3.163 2.745 2.640 2.859 . 0 0 "[ . 1]" 1
521 1 30 LYS H 1 31 ALA H 2.464 . 3.223 2.679 2.586 2.736 . 0 0 "[ . 1]" 1
522 1 30 LYS HA 1 30 LYS HB2 2.512 . 3.301 3.020 3.014 3.024 . 0 0 "[ . 1]" 1
523 1 30 LYS HA 1 30 LYS HB3 2.454 . 3.207 2.466 2.424 2.507 . 0 0 "[ . 1]" 1
524 1 30 LYS HA 1 30 LYS QD 3.005 . 4.134 3.675 2.003 4.205 0.071 8 0 "[ . 1]" 1
525 1 30 LYS HA 1 30 LYS QG 2.539 . 3.345 2.546 2.397 2.951 . 0 0 "[ . 1]" 1
526 1 30 LYS HA 1 31 ALA H 2.487 . 3.260 2.879 2.771 2.965 . 0 0 "[ . 1]" 1
527 1 30 LYS HB2 1 30 LYS QG 2.478 . 3.246 2.320 2.165 2.418 . 0 0 "[ . 1]" 1
528 1 30 LYS HB2 1 31 ALA H 3.587 . 5.195 4.124 4.026 4.217 . 0 0 "[ . 1]" 1
529 1 30 LYS HB3 1 30 LYS QG 2.523 . 3.319 2.331 2.271 2.375 . 0 0 "[ . 1]" 1
530 1 30 LYS HB3 1 31 ALA H 3.563 . 5.150 4.447 4.427 4.472 . 0 0 "[ . 1]" 1
531 1 30 LYS HD2 1 30 LYS QE 2.299 . 2.959 2.300 2.170 2.375 . 0 0 "[ . 1]" 1
532 1 30 LYS QE 1 30 LYS QG 3.379 . 4.806 2.411 2.297 2.763 . 0 0 "[ . 1]" 1
533 1 30 LYS QG 1 31 ALA H 3.299 . 4.659 4.513 4.424 4.670 0.011 7 0 "[ . 1]" 1
534 1 31 ALA H 1 31 ALA HA 2.669 . 3.559 2.893 2.876 2.909 . 0 0 "[ . 1]" 1
535 1 31 ALA H 1 31 ALA MB 2.225 . 2.844 2.272 2.251 2.296 . 0 0 "[ . 1]" 1
536 1 31 ALA H 1 32 ARG H 3.267 . 4.601 4.589 4.575 4.610 0.009 7 0 "[ . 1]" 1
537 1 31 ALA HA 1 31 ALA MB 2.099 . 2.650 2.130 2.126 2.135 . 0 0 "[ . 1]" 1
538 1 31 ALA HA 1 32 ARG H 2.380 . 3.088 2.292 2.260 2.327 . 0 0 "[ . 1]" 1
539 1 31 ALA HA 1 33 HIS H 3.352 . 4.757 4.019 3.963 4.095 . 0 0 "[ . 1]" 1
540 1 31 ALA HA 1 49 PHE HA 3.300 . 4.661 3.724 3.516 4.061 . 0 0 "[ . 1]" 1
541 1 31 ALA HA 1 49 PHE QD 2.497 . 3.277 2.981 2.885 3.131 . 0 0 "[ . 1]" 1
542 1 31 ALA HA 1 49 PHE QE 2.660 . 3.544 2.793 2.471 3.163 . 0 0 "[ . 1]" 1
543 1 31 ALA HA 1 49 PHE HZ 3.647 . 5.309 4.171 3.906 4.506 . 0 0 "[ . 1]" 1
544 1 31 ALA MB 1 32 ARG H 2.328 . 3.005 2.650 2.512 2.721 . 0 0 "[ . 1]" 1
545 1 31 ALA MB 1 33 HIS H 2.213 . 2.825 2.746 2.617 2.879 0.054 3 0 "[ . 1]" 1
546 1 31 ALA MB 1 47 CYS HA 2.875 . 3.908 3.512 3.373 3.708 . 0 0 "[ . 1]" 1
547 1 31 ALA MB 1 47 CYS QB 2.162 . 2.746 2.108 2.003 2.233 . 0 0 "[ . 1]" 1
548 1 31 ALA MB 1 48 TYR H 2.548 . 3.360 2.660 2.524 2.915 . 0 0 "[ . 1]" 1
549 1 31 ALA MB 1 49 PHE QD 2.845 . 3.857 3.585 3.456 3.711 . 0 0 "[ . 1]" 1
550 1 31 ALA MB 1 49 PHE QE 2.567 . 3.391 2.889 2.755 2.984 . 0 0 "[ . 1]" 1
551 1 31 ALA MB 1 49 PHE HZ 2.790 . 3.763 2.720 2.614 2.935 . 0 0 "[ . 1]" 1
552 1 32 ARG H 1 32 ARG HA 2.546 . 3.356 2.887 2.873 2.901 . 0 0 "[ . 1]" 1
553 1 32 ARG H 1 32 ARG HB2 2.527 . 3.325 2.464 2.387 2.519 . 0 0 "[ . 1]" 1
554 1 32 ARG H 1 32 ARG HB3 2.647 . 3.523 3.588 3.577 3.595 0.072 10 0 "[ . 1]" 1
555 1 32 ARG H 1 32 ARG QD 3.097 . 4.296 3.483 3.278 4.054 . 0 0 "[ . 1]" 1
556 1 32 ARG H 1 32 ARG HG2 2.699 . 3.610 2.307 2.194 2.466 . 0 0 "[ . 1]" 1
557 1 32 ARG H 1 32 ARG HG3 2.684 . 3.584 3.699 3.604 3.752 0.168 8 0 "[ . 1]" 1
558 1 32 ARG H 1 33 HIS H 2.169 . 2.757 2.301 2.214 2.370 . 0 0 "[ . 1]" 1
559 1 32 ARG H 1 48 TYR H 4.266 . 6.540 4.582 4.343 4.778 . 0 0 "[ . 1]" 1
560 1 32 ARG H 1 49 PHE HA 2.832 . 3.835 3.171 3.049 3.366 . 0 0 "[ . 1]" 1
561 1 32 ARG HA 1 32 ARG QD 2.318 . 2.990 2.156 2.026 2.779 . 0 0 "[ . 1]" 1
562 1 32 ARG HA 1 32 ARG HE 3.598 . 5.216 3.614 1.955 4.740 0.025 7 0 "[ . 1]" 1
563 1 32 ARG HA 1 32 ARG HG2 2.907 . 3.963 3.125 3.003 3.191 . 0 0 "[ . 1]" 1
564 1 32 ARG HA 1 33 HIS H 2.929 . 4.002 3.459 3.426 3.515 . 0 0 "[ . 1]" 1
565 1 32 ARG HB2 1 33 HIS H 2.711 . 3.630 2.864 2.722 3.001 . 0 0 "[ . 1]" 1
566 1 32 ARG HB3 1 32 ARG HE 4.071 . 6.143 2.842 2.195 4.381 . 0 0 "[ . 1]" 1
567 1 32 ARG HB3 1 33 HIS H 2.839 . 3.846 3.894 3.779 3.937 0.091 3 0 "[ . 1]" 1
568 1 32 ARG QD 1 32 ARG HE 2.476 . 3.242 2.466 2.429 2.491 . 0 0 "[ . 1]" 1
569 1 32 ARG HG3 1 33 HIS H 4.757 . 7.586 5.074 4.911 5.191 . 0 0 "[ . 1]" 1
570 1 33 HIS H 1 33 HIS HB2 3.142 . 4.376 3.315 3.195 3.393 . 0 0 "[ . 1]" 1
571 1 33 HIS H 1 33 HIS HB3 2.889 . 3.932 2.922 2.847 3.087 . 0 0 "[ . 1]" 1
572 1 33 HIS H 1 34 GLY H 3.663 . 5.340 4.379 4.359 4.413 . 0 0 "[ . 1]" 1
573 1 33 HIS H 1 34 GLY HA2 3.646 . 5.307 4.820 4.751 4.886 . 0 0 "[ . 1]" 1
574 1 33 HIS H 1 48 TYR H 2.800 . 3.780 3.312 3.214 3.481 . 0 0 "[ . 1]" 1
575 1 33 HIS H 1 48 TYR HB2 2.590 . 3.428 2.947 2.775 3.144 . 0 0 "[ . 1]" 1
576 1 33 HIS H 1 48 TYR HB3 2.974 . 4.080 4.094 4.013 4.130 0.050 9 0 "[ . 1]" 1
577 1 33 HIS HA 1 33 HIS HB2 2.896 . 3.945 2.490 2.458 2.586 . 0 0 "[ . 1]" 1
578 1 33 HIS HA 1 33 HIS HB3 2.511 . 3.299 3.035 3.020 3.039 . 0 0 "[ . 1]" 1
579 1 33 HIS HA 1 34 GLY H 2.483 . 3.254 2.457 2.378 2.590 . 0 0 "[ . 1]" 1
580 1 33 HIS HB2 1 33 HIS HD2 2.816 . 3.808 3.762 3.687 3.794 . 0 0 "[ . 1]" 1
581 1 33 HIS HB2 1 34 GLY H 3.343 . 4.740 3.859 3.822 3.905 . 0 0 "[ . 1]" 1
582 1 33 HIS HB3 1 33 HIS HD2 3.137 . 4.367 2.714 2.706 2.723 . 0 0 "[ . 1]" 1
583 1 33 HIS HB3 1 34 GLY H 3.537 . 5.101 3.549 3.119 3.733 . 0 0 "[ . 1]" 1
584 1 33 HIS HB3 1 48 TYR QD 3.043 . 4.200 3.544 3.358 3.683 . 0 0 "[ . 1]" 1
585 1 33 HIS HD2 1 48 TYR QD 3.030 . 4.178 3.014 2.706 3.607 . 0 0 "[ . 1]" 1
586 1 33 HIS HD2 1 48 TYR QE 3.186 . 4.455 3.488 3.129 4.040 . 0 0 "[ . 1]" 1
587 1 33 HIS HE1 1 34 GLY H 3.386 . 4.819 3.922 3.725 4.116 . 0 0 "[ . 1]" 1
588 1 34 GLY H 1 34 GLY HA2 2.879 . 3.915 2.866 2.815 2.906 . 0 0 "[ . 1]" 1
589 1 34 GLY H 1 34 GLY HA3 2.853 . 3.870 2.725 2.656 2.789 . 0 0 "[ . 1]" 1
590 1 34 GLY H 1 35 SER H 3.417 . 4.877 4.339 4.310 4.377 . 0 0 "[ . 1]" 1
591 1 34 GLY HA2 1 35 SER H 2.279 . 2.928 2.370 2.291 2.518 . 0 0 "[ . 1]" 1
592 1 34 GLY HA2 1 48 TYR H 2.232 . 2.855 2.702 2.475 2.862 0.007 2 0 "[ . 1]" 1
593 1 34 GLY HA2 1 48 TYR QD 2.238 . 2.864 1.933 1.810 2.001 . 0 0 "[ . 1]" 1
594 1 34 GLY HA2 1 48 TYR QE 2.627 . 3.489 3.280 3.162 3.412 . 0 0 "[ . 1]" 1
595 1 34 GLY HA3 1 35 SER H 2.531 . 3.332 2.809 2.637 2.918 . 0 0 "[ . 1]" 1
596 1 34 GLY HA3 1 48 TYR H 3.327 . 4.711 3.569 3.216 3.922 . 0 0 "[ . 1]" 1
597 1 34 GLY HA3 1 48 TYR QD 2.754 . 3.702 3.602 3.492 3.710 0.008 8 0 "[ . 1]" 1
598 1 34 GLY HA3 1 48 TYR QE 3.305 . 4.671 4.729 4.677 4.782 0.111 10 0 "[ . 1]" 1
599 1 35 SER H 1 35 SER HA 2.709 . 3.626 2.864 2.808 2.905 . 0 0 "[ . 1]" 1
600 1 35 SER H 1 35 SER QB 2.854 . 3.872 2.970 2.749 3.291 . 0 0 "[ . 1]" 1
601 1 35 SER H 1 36 CYS H 2.794 . 3.770 3.607 3.447 3.825 0.055 10 0 "[ . 1]" 1
602 1 35 SER H 1 46 ILE H 2.622 . 3.481 3.124 2.942 3.502 0.021 10 0 "[ . 1]" 1
603 1 35 SER H 1 46 ILE HB 2.910 . 3.968 3.619 3.499 3.811 . 0 0 "[ . 1]" 1
604 1 35 SER H 1 48 TYR QD 2.998 . 4.121 3.307 2.929 3.502 . 0 0 "[ . 1]" 1
605 1 35 SER H 1 48 TYR QE 2.737 . 3.673 2.840 2.580 3.200 . 0 0 "[ . 1]" 1
606 1 35 SER HA 1 36 CYS H 2.170 . 2.759 2.302 2.184 2.462 . 0 0 "[ . 1]" 1
607 1 35 SER QB 1 36 CYS H 2.525 . 3.322 3.048 2.216 3.397 0.075 2 0 "[ . 1]" 1
608 1 35 SER HB2 1 48 TYR QD 3.663 . 5.340 4.752 4.100 5.953 0.613 5 1 "[ + 1]" 1
609 1 35 SER HB2 1 48 TYR QE 2.819 . 3.813 3.193 2.178 4.279 0.466 5 0 "[ . 1]" 1
610 1 35 SER HB3 1 36 CYS H 3.285 . 4.634 3.449 2.792 4.045 . 0 0 "[ . 1]" 1
611 1 36 CYS H 1 36 CYS HA 2.992 . 4.111 2.887 2.805 2.935 . 0 0 "[ . 1]" 1
612 1 36 CYS H 1 36 CYS HB2 2.481 . 3.251 2.499 2.284 2.725 . 0 0 "[ . 1]" 1
613 1 36 CYS H 1 36 CYS HB3 2.501 . 3.283 2.970 2.562 3.529 0.246 9 0 "[ . 1]" 1
614 1 36 CYS HA 1 36 CYS HB2 2.849 . 3.864 2.725 2.509 3.018 . 0 0 "[ . 1]" 1
615 1 36 CYS HA 1 36 CYS HB3 2.685 . 3.586 2.818 2.502 3.029 . 0 0 "[ . 1]" 1
616 1 36 CYS HA 1 37 ASN H 2.241 . 2.869 2.286 2.185 2.371 . 0 0 "[ . 1]" 1
617 1 36 CYS HA 1 45 CYS HA 2.809 . 3.796 2.376 2.176 2.478 . 0 0 "[ . 1]" 1
618 1 36 CYS HA 1 46 ILE H 3.148 . 4.387 2.924 2.578 3.204 . 0 0 "[ . 1]" 1
619 1 36 CYS HB2 1 37 ASN H 3.299 . 4.659 4.514 4.071 4.606 . 0 0 "[ . 1]" 1
620 1 36 CYS HB2 1 45 CYS HA 2.945 . 4.029 4.333 3.861 4.861 0.832 10 4 "[ *. - *+]" 1
621 1 37 ASN H 1 37 ASN HA 2.878 . 3.914 2.848 2.806 2.950 . 0 0 "[ . 1]" 1
622 1 37 ASN H 1 37 ASN HB3 2.393 . 3.109 2.227 2.046 2.943 . 0 0 "[ . 1]" 1
623 1 37 ASN H 1 44 LYS H 2.857 . 3.877 3.858 3.535 3.938 0.061 7 0 "[ . 1]" 1
624 1 37 ASN H 1 45 CYS HA 3.077 . 4.260 3.803 3.592 4.058 . 0 0 "[ . 1]" 1
625 1 37 ASN H 1 46 ILE MD 3.335 . 4.725 4.578 4.289 4.738 0.013 1 0 "[ . 1]" 1
626 1 37 ASN H 1 46 ILE HG13 3.388 . 4.823 3.817 3.353 4.263 . 0 0 "[ . 1]" 1
627 1 37 ASN HA 1 37 ASN QB 2.243 . 2.872 2.168 2.149 2.193 . 0 0 "[ . 1]" 1
628 1 37 ASN QB 1 37 ASN HD21 2.720 . 3.645 2.312 2.169 2.684 . 0 0 "[ . 1]" 1
629 1 37 ASN QB 1 37 ASN HD22 2.375 . 3.080 3.278 3.181 3.425 0.345 4 0 "[ . 1]" 1
630 1 37 ASN QB 1 46 ILE MD 2.871 . 3.902 4.045 3.947 4.135 0.233 8 0 "[ . 1]" 1
631 1 37 ASN HB2 1 38 TYR H 2.374 . 3.078 2.962 2.439 3.335 0.257 2 0 "[ . 1]" 1
632 1 37 ASN HB3 1 46 ILE HB 3.165 . 4.417 2.575 2.133 3.015 . 0 0 "[ . 1]" 1
633 1 37 ASN HB3 1 46 ILE HG12 2.450 . 3.200 3.118 2.780 3.301 0.101 4 0 "[ . 1]" 1
634 1 37 ASN HB3 1 46 ILE HG13 2.350 . 3.040 2.695 2.533 2.924 . 0 0 "[ . 1]" 1
635 1 37 ASN HB3 1 46 ILE MG 3.026 . 4.170 3.400 3.153 3.806 . 0 0 "[ . 1]" 1
636 1 37 ASN HD21 1 39 VAL H 2.531 . 3.332 3.701 3.403 4.121 0.789 1 4 "[+ * . *-1]" 1
637 1 37 ASN HD21 1 39 VAL QG 2.886 . 3.927 2.927 1.998 3.590 . 0 0 "[ . 1]" 1
638 1 37 ASN HD21 1 44 LYS QB 3.339 . 4.732 3.453 2.790 4.739 0.007 8 0 "[ . 1]" 1
639 1 37 ASN HD21 1 46 ILE HB 3.132 . 4.358 3.644 3.235 4.562 0.204 10 0 "[ . 1]" 1
640 1 37 ASN HD21 1 46 ILE MD 3.324 . 4.705 3.242 2.936 3.726 . 0 0 "[ . 1]" 1
641 1 37 ASN HD21 1 46 ILE HG12 3.032 . 4.181 2.444 1.877 3.801 0.006 1 0 "[ . 1]" 1
642 1 37 ASN HD21 1 46 ILE HG13 3.180 . 4.444 2.153 1.809 2.721 0.107 2 0 "[ . 1]" 1
643 1 37 ASN HD21 1 46 ILE MG 3.125 . 4.346 3.915 3.645 4.355 0.009 9 0 "[ . 1]" 1
644 1 37 ASN HD22 1 39 VAL QG 3.214 . 4.505 2.176 1.813 2.638 0.110 4 0 "[ . 1]" 1
645 1 37 ASN HD22 1 44 LYS H 3.712 . 5.434 4.236 3.188 5.105 . 0 0 "[ . 1]" 1
646 1 37 ASN HD22 1 46 ILE HB 3.264 . 4.596 4.668 4.480 4.818 0.222 2 0 "[ . 1]" 1
647 1 37 ASN HD22 1 46 ILE MD 3.195 . 4.471 3.119 2.535 3.891 . 0 0 "[ . 1]" 1
648 1 37 ASN HD22 1 46 ILE HG12 3.084 . 4.273 3.261 2.611 3.980 . 0 0 "[ . 1]" 1
649 1 37 ASN HD22 1 46 ILE HG13 2.844 . 3.855 2.601 2.375 2.874 . 0 0 "[ . 1]" 1
650 1 37 ASN HD22 1 46 ILE MG 3.068 . 4.244 4.313 4.175 4.459 0.215 9 0 "[ . 1]" 1
651 1 38 TYR H 1 38 TYR HA 2.653 . 3.533 2.921 2.900 2.939 . 0 0 "[ . 1]" 1
652 1 38 TYR H 1 38 TYR HB2 2.526 . 3.323 2.823 2.670 2.989 . 0 0 "[ . 1]" 1
653 1 38 TYR H 1 38 TYR HB3 2.495 . 3.273 2.569 2.513 2.624 . 0 0 "[ . 1]" 1
654 1 38 TYR H 1 38 TYR QD 3.284 . 4.632 4.270 4.245 4.317 . 0 0 "[ . 1]" 1
655 1 38 TYR H 1 43 HIS HE1 3.207 . 4.493 4.436 4.103 4.540 0.047 10 0 "[ . 1]" 1
656 1 38 TYR HA 1 38 TYR HB2 2.504 . 3.288 2.470 2.450 2.491 . 0 0 "[ . 1]" 1
657 1 38 TYR HA 1 38 TYR HB3 2.822 . 3.818 3.023 3.017 3.027 . 0 0 "[ . 1]" 1
658 1 38 TYR HA 1 38 TYR QD 2.398 . 3.117 2.366 2.007 2.563 . 0 0 "[ . 1]" 1
659 1 38 TYR HA 1 38 TYR QE 3.161 . 4.410 4.436 4.363 4.480 0.070 4 0 "[ . 1]" 1
660 1 38 TYR HA 1 39 VAL H 2.272 . 2.917 2.353 2.252 2.562 . 0 0 "[ . 1]" 1
661 1 38 TYR HA 1 43 HIS HA 2.970 . 4.072 2.277 2.066 2.591 . 0 0 "[ . 1]" 1
662 1 38 TYR HB2 1 38 TYR QD 2.458 . 3.213 2.607 2.522 2.770 . 0 0 "[ . 1]" 1
663 1 38 TYR HB2 1 38 TYR QE 3.188 . 4.459 4.470 4.447 4.516 0.057 10 0 "[ . 1]" 1
664 1 38 TYR HB2 1 39 VAL H 3.275 . 4.616 4.610 4.571 4.669 0.053 10 0 "[ . 1]" 1
665 1 38 TYR HB3 1 38 TYR QD 2.392 . 3.107 2.304 2.283 2.395 . 0 0 "[ . 1]" 1
666 1 38 TYR HB3 1 39 VAL H 3.481 . 4.996 4.459 4.431 4.479 . 0 0 "[ . 1]" 1
667 1 38 TYR QD 1 39 VAL H 3.023 . 4.165 4.160 3.830 4.244 0.079 7 0 "[ . 1]" 1
668 1 38 TYR QD 1 39 VAL HA 3.373 . 4.795 4.775 4.434 4.868 0.073 3 0 "[ . 1]" 1
669 1 38 TYR QD 1 40 PHE H 3.534 . 5.096 4.118 3.710 4.297 . 0 0 "[ . 1]" 1
670 1 38 TYR QD 1 40 PHE QD 3.185 . 4.453 4.240 4.020 4.468 0.015 10 0 "[ . 1]" 1
671 1 38 TYR QD 1 43 HIS HA 3.062 . 4.234 3.136 2.695 3.447 . 0 0 "[ . 1]" 1
672 1 38 TYR QD 1 43 HIS HD2 3.348 . 4.749 2.815 2.629 3.254 . 0 0 "[ . 1]" 1
673 1 38 TYR QE 1 40 PHE H 3.446 . 4.930 4.451 4.125 4.579 . 0 0 "[ . 1]" 1
674 1 38 TYR QE 1 40 PHE HA 3.067 . 4.243 3.258 2.724 3.449 . 0 0 "[ . 1]" 1
675 1 38 TYR QE 1 40 PHE HB2 2.774 . 3.736 3.306 2.905 3.754 0.018 10 0 "[ . 1]" 1
676 1 38 TYR QE 1 40 PHE HB3 3.483 . 4.999 4.860 4.534 5.054 0.055 8 0 "[ . 1]" 1
677 1 38 TYR QE 1 40 PHE QD 2.877 . 3.912 2.235 1.968 2.780 . 0 0 "[ . 1]" 1
678 1 38 TYR QE 1 41 PRO HA 3.025 . 4.169 3.465 2.995 3.657 . 0 0 "[ . 1]" 1
679 1 38 TYR QE 1 42 ALA H 3.468 . 4.971 3.933 3.770 4.162 . 0 0 "[ . 1]" 1
680 1 38 TYR QE 1 42 ALA HA 3.059 . 4.228 2.983 2.486 4.022 . 0 0 "[ . 1]" 1
681 1 38 TYR QE 1 43 HIS HD2 4.090 . 6.181 3.492 3.272 3.872 . 0 0 "[ . 1]" 1
682 1 39 VAL H 1 39 VAL HA 2.727 . 3.657 2.888 2.861 2.926 . 0 0 "[ . 1]" 1
683 1 39 VAL H 1 39 VAL HB 2.581 . 3.414 2.788 2.510 3.555 0.141 1 0 "[ . 1]" 1
684 1 39 VAL H 1 39 VAL QG 2.600 . 3.445 2.030 1.747 2.483 0.008 1 0 "[ . 1]" 1
685 1 39 VAL H 1 40 PHE H 3.413 . 4.869 4.215 4.127 4.276 . 0 0 "[ . 1]" 1
686 1 39 VAL H 1 43 HIS HA 2.853 . 3.871 3.137 2.897 3.559 . 0 0 "[ . 1]" 1
687 1 39 VAL H 1 44 LYS H 3.020 . 4.160 3.035 2.517 3.339 . 0 0 "[ . 1]" 1
688 1 39 VAL HA 1 39 VAL HB 2.484 . 3.255 2.671 2.388 3.032 . 0 0 "[ . 1]" 1
689 1 39 VAL HA 1 39 VAL QG 2.106 . 2.660 2.263 2.136 2.385 . 0 0 "[ . 1]" 1
690 1 39 VAL HA 1 40 PHE H 1.946 . 2.419 2.138 2.107 2.181 . 0 0 "[ . 1]" 1
691 1 39 VAL HB 1 39 VAL QG 1.886 . 2.331 1.895 1.891 1.898 . 0 0 "[ . 1]" 1
692 1 39 VAL QG 1 40 PHE H 2.714 . 3.635 3.185 2.988 3.650 0.015 1 0 "[ . 1]" 1
693 1 39 VAL QG 1 42 ALA H 3.424 . 4.890 3.669 3.268 4.131 . 0 0 "[ . 1]" 1
694 1 39 VAL QG 1 44 LYS H 3.009 . 4.141 3.106 2.630 3.625 . 0 0 "[ . 1]" 1
695 1 40 PHE H 1 40 PHE HA 2.438 . 3.181 2.711 2.687 2.727 . 0 0 "[ . 1]" 1
696 1 40 PHE H 1 40 PHE HB2 2.251 . 2.884 2.371 2.291 2.410 . 0 0 "[ . 1]" 1
697 1 40 PHE H 1 40 PHE HB3 2.318 . 2.990 2.657 2.585 2.763 . 0 0 "[ . 1]" 1
698 1 40 PHE H 1 40 PHE QD 3.243 . 4.557 4.131 4.081 4.159 . 0 0 "[ . 1]" 1
699 1 40 PHE HA 1 40 PHE HB2 2.641 . 3.513 2.484 2.463 2.531 . 0 0 "[ . 1]" 1
700 1 40 PHE HA 1 40 PHE HB3 2.795 . 3.772 3.020 3.014 3.024 . 0 0 "[ . 1]" 1
701 1 40 PHE HA 1 40 PHE QD 2.547 . 3.358 2.830 2.662 2.993 . 0 0 "[ . 1]" 1
702 1 40 PHE HA 1 40 PHE QE 3.697 . 5.405 4.634 4.574 4.690 . 0 0 "[ . 1]" 1
703 1 40 PHE HA 1 42 ALA H 2.703 . 3.616 2.655 2.507 2.770 . 0 0 "[ . 1]" 1
704 1 40 PHE HB2 1 40 PHE QD 2.165 . 2.751 2.431 2.359 2.495 . 0 0 "[ . 1]" 1
705 1 40 PHE HB2 1 40 PHE QE 3.204 . 4.487 4.411 4.392 4.425 . 0 0 "[ . 1]" 1
706 1 40 PHE HB2 1 41 PRO HA 3.037 . 4.190 3.575 3.502 3.700 . 0 0 "[ . 1]" 1
707 1 40 PHE HB3 1 40 PHE QD 2.167 . 2.754 2.345 2.296 2.413 . 0 0 "[ . 1]" 1
708 1 40 PHE HB3 1 40 PHE QE 3.269 . 4.605 4.390 4.372 4.411 . 0 0 "[ . 1]" 1
709 1 40 PHE HB3 1 41 PRO HA 2.825 . 3.822 3.897 3.839 3.934 0.112 7 0 "[ . 1]" 1
710 1 40 PHE QD 1 41 PRO HA 2.494 . 3.271 2.667 2.436 3.037 . 0 0 "[ . 1]" 1
711 1 40 PHE QD 1 41 PRO HB2 3.063 . 4.236 4.465 4.363 4.554 0.318 3 0 "[ . 1]" 1
712 1 40 PHE QE 1 41 PRO HA 3.146 . 4.383 3.665 3.520 3.858 . 0 0 "[ . 1]" 1
713 1 40 PHE QE 1 41 PRO HB2 3.160 . 4.408 4.266 4.123 4.399 . 0 0 "[ . 1]" 1
714 1 40 PHE QE 1 41 PRO HB3 3.533 . 5.093 3.158 2.952 3.267 . 0 0 "[ . 1]" 1
715 1 41 PRO HA 1 41 PRO HB2 2.585 . 3.420 2.644 2.633 2.661 . 0 0 "[ . 1]" 1
716 1 41 PRO HA 1 41 PRO HB3 2.417 . 3.147 2.330 2.321 2.339 . 0 0 "[ . 1]" 1
717 1 41 PRO HA 1 41 PRO HD2 3.537 . 5.101 3.965 3.950 3.983 . 0 0 "[ . 1]" 1
718 1 41 PRO HA 1 42 ALA H 3.255 . 4.580 3.105 3.063 3.136 . 0 0 "[ . 1]" 1
719 1 41 PRO HB2 1 41 PRO HD2 3.486 . 5.005 3.858 3.812 3.900 . 0 0 "[ . 1]" 1
720 1 41 PRO HB3 1 41 PRO HD2 3.517 . 5.063 3.895 3.884 3.910 . 0 0 "[ . 1]" 1
721 1 41 PRO HB3 1 41 PRO HG2 2.389 . 3.103 2.975 2.963 2.983 . 0 0 "[ . 1]" 1
722 1 41 PRO HD2 1 41 PRO HG2 2.574 . 3.402 2.264 2.262 2.266 . 0 0 "[ . 1]" 1
723 1 41 PRO HD2 1 41 PRO HG3 2.468 . 3.230 2.859 2.843 2.875 . 0 0 "[ . 1]" 1
724 1 41 PRO HD2 1 42 ALA H 2.695 . 3.603 2.967 2.840 3.105 . 0 0 "[ . 1]" 1
725 1 41 PRO HD2 1 42 ALA MB 3.264 . 4.596 3.084 2.961 3.201 . 0 0 "[ . 1]" 1
726 1 41 PRO HG2 1 42 ALA H 2.975 . 4.081 4.101 4.075 4.126 0.045 1 0 "[ . 1]" 1
727 1 42 ALA H 1 42 ALA HA 2.525 . 3.322 2.939 2.925 2.950 . 0 0 "[ . 1]" 1
728 1 42 ALA H 1 42 ALA MB 2.347 . 3.036 2.590 2.512 2.662 . 0 0 "[ . 1]" 1
729 1 42 ALA HA 1 42 ALA MB 2.232 . 2.855 2.125 2.123 2.128 . 0 0 "[ . 1]" 1
730 1 42 ALA HA 1 43 HIS H 2.193 . 2.794 2.387 2.244 2.610 . 0 0 "[ . 1]" 1
731 1 42 ALA MB 1 43 HIS H 2.610 . 3.461 2.390 2.010 2.688 . 0 0 "[ . 1]" 1
732 1 43 HIS H 1 43 HIS HB2 2.607 . 3.456 2.328 2.265 2.483 . 0 0 "[ . 1]" 1
733 1 43 HIS H 1 43 HIS HB3 3.191 . 4.464 3.580 3.525 3.669 . 0 0 "[ . 1]" 1
734 1 43 HIS H 1 44 LYS H 5.760 . 9.908 4.394 4.067 4.513 . 0 0 "[ . 1]" 1
735 1 43 HIS HA 1 43 HIS HB2 2.546 . 3.356 3.001 2.984 3.010 . 0 0 "[ . 1]" 1
736 1 43 HIS HA 1 43 HIS HB3 2.771 . 3.731 2.614 2.585 2.661 . 0 0 "[ . 1]" 1
737 1 43 HIS HA 1 44 LYS H 2.068 . 2.602 2.137 2.104 2.195 . 0 0 "[ . 1]" 1
738 1 43 HIS HB2 1 44 LYS H 3.367 . 4.784 4.365 4.226 4.577 . 0 0 "[ . 1]" 1
739 1 43 HIS HB3 1 44 LYS H 3.032 . 4.181 3.413 3.147 3.976 . 0 0 "[ . 1]" 1
740 1 44 LYS H 1 44 LYS HA 2.896 . 3.944 2.936 2.882 2.946 . 0 0 "[ . 1]" 1
741 1 44 LYS H 1 44 LYS QB 2.811 . 3.335 2.477 2.380 2.566 . 0 0 "[ . 1]" 1
742 1 44 LYS H 1 44 LYS HG2 2.651 . 3.529 3.139 2.253 3.506 . 0 0 "[ . 1]" 1
743 1 44 LYS H 1 44 LYS HG3 3.340 . 4.735 4.203 3.645 4.432 . 0 0 "[ . 1]" 1
744 1 44 LYS HA 1 44 LYS QB 2.521 . 3.316 2.423 2.348 2.463 . 0 0 "[ . 1]" 1
745 1 44 LYS HA 1 44 LYS HD2 2.832 . 3.834 2.908 2.068 3.344 . 0 0 "[ . 1]" 1
746 1 44 LYS HA 1 44 LYS HD3 3.469 . 4.974 2.399 2.008 3.693 . 0 0 "[ . 1]" 1
747 1 44 LYS HA 1 44 LYS HG3 2.925 . 3.995 3.707 3.672 3.768 . 0 0 "[ . 1]" 1
748 1 44 LYS HA 1 45 CYS H 2.170 . 2.758 2.274 2.189 2.458 . 0 0 "[ . 1]" 1
749 1 44 LYS QB 1 45 CYS H 2.491 . 3.267 2.604 2.159 2.812 . 0 0 "[ . 1]" 1
750 1 44 LYS QB 1 46 ILE MD 2.732 . 3.665 2.891 2.492 3.077 . 0 0 "[ . 1]" 1
751 1 44 LYS HD2 1 44 LYS QE 2.289 . 2.944 2.274 2.167 2.370 . 0 0 "[ . 1]" 1
752 1 44 LYS HD2 1 44 LYS HG3 2.240 . 2.867 2.585 2.403 3.011 0.144 10 0 "[ . 1]" 1
753 1 44 LYS HD2 1 45 CYS H 3.120 . 4.337 3.561 3.056 3.973 . 0 0 "[ . 1]" 1
754 1 44 LYS HD3 1 44 LYS QE 3.214 . 4.505 2.291 2.171 2.363 . 0 0 "[ . 1]" 1
755 1 44 LYS QE 1 44 LYS HG3 3.082 . 4.270 2.647 2.338 3.034 . 0 0 "[ . 1]" 1
756 1 44 LYS HG2 1 45 CYS H 3.210 . 4.498 4.638 4.552 4.740 0.242 10 0 "[ . 1]" 1
757 1 44 LYS HG3 1 46 ILE MD 3.474 . 4.983 4.416 3.939 4.743 . 0 0 "[ . 1]" 1
758 1 45 CYS H 1 45 CYS HB2 2.637 . 3.507 2.605 2.399 2.893 . 0 0 "[ . 1]" 1
759 1 45 CYS H 1 45 CYS HB3 2.553 . 3.368 2.551 2.460 2.677 . 0 0 "[ . 1]" 1
760 1 45 CYS H 1 46 ILE MD 3.751 . 5.510 4.311 4.091 4.456 . 0 0 "[ . 1]" 1
761 1 45 CYS HA 1 45 CYS HB2 2.784 . 3.753 2.499 2.451 2.586 . 0 0 "[ . 1]" 1
762 1 45 CYS HA 1 46 ILE H 2.239 . 2.866 2.144 2.131 2.158 . 0 0 "[ . 1]" 1
763 1 45 CYS HB3 1 46 ILE H 3.900 . 5.801 4.257 4.059 4.363 . 0 0 "[ . 1]" 1
764 1 46 ILE H 1 46 ILE HA 2.836 . 3.842 2.940 2.937 2.943 . 0 0 "[ . 1]" 1
765 1 46 ILE H 1 46 ILE HB 2.484 . 3.255 2.611 2.562 2.673 . 0 0 "[ . 1]" 1
766 1 46 ILE H 1 46 ILE MD 3.239 . 4.550 3.755 3.560 3.892 . 0 0 "[ . 1]" 1
767 1 46 ILE H 1 46 ILE HG12 2.758 . 3.709 3.011 2.898 3.109 . 0 0 "[ . 1]" 1
768 1 46 ILE H 1 46 ILE HG13 3.192 . 4.466 4.281 4.188 4.368 . 0 0 "[ . 1]" 1
769 1 46 ILE H 1 46 ILE MG 3.113 . 4.325 3.813 3.789 3.844 . 0 0 "[ . 1]" 1
770 1 46 ILE H 1 47 CYS H 3.723 . 5.456 4.224 4.177 4.313 . 0 0 "[ . 1]" 1
771 1 46 ILE HA 1 46 ILE MD 2.281 . 2.931 2.014 1.960 2.101 . 0 0 "[ . 1]" 1
772 1 46 ILE HA 1 46 ILE HG12 3.299 . 4.659 3.035 2.961 3.125 . 0 0 "[ . 1]" 1
773 1 46 ILE HA 1 46 ILE HG13 3.006 . 4.135 3.683 3.659 3.718 . 0 0 "[ . 1]" 1
774 1 46 ILE HA 1 46 ILE MG 2.409 . 3.134 2.465 2.440 2.494 . 0 0 "[ . 1]" 1
775 1 46 ILE HA 1 47 CYS H 2.032 . 2.548 2.123 2.109 2.142 . 0 0 "[ . 1]" 1
776 1 46 ILE HB 1 46 ILE MD 2.854 . 3.872 3.227 3.222 3.233 . 0 0 "[ . 1]" 1
777 1 46 ILE HB 1 46 ILE HG12 2.458 . 3.213 2.416 2.386 2.455 . 0 0 "[ . 1]" 1
778 1 46 ILE HB 1 46 ILE HG13 2.467 . 3.228 2.450 2.407 2.492 . 0 0 "[ . 1]" 1
779 1 46 ILE HB 1 46 ILE MG 2.291 . 2.947 2.120 2.116 2.128 . 0 0 "[ . 1]" 1
780 1 46 ILE HB 1 47 CYS H 3.327 . 4.710 4.344 4.238 4.410 . 0 0 "[ . 1]" 1
781 1 46 ILE HB 1 48 TYR QE 2.690 . 3.594 3.208 2.873 3.625 0.031 2 0 "[ . 1]" 1
782 1 46 ILE MD 1 46 ILE HG12 2.176 . 2.768 2.110 2.101 2.116 . 0 0 "[ . 1]" 1
783 1 46 ILE MD 1 46 ILE HG13 2.314 . 2.983 2.108 2.105 2.113 . 0 0 "[ . 1]" 1
784 1 46 ILE MD 1 46 ILE MG 2.238 . 2.864 1.970 1.905 2.026 . 0 0 "[ . 1]" 1
785 1 46 ILE MD 1 47 CYS H 3.016 . 4.153 3.584 3.479 3.670 . 0 0 "[ . 1]" 1
786 1 46 ILE HG12 1 46 ILE MG 2.619 . 3.477 3.184 3.164 3.194 . 0 0 "[ . 1]" 1
787 1 46 ILE HG13 1 46 ILE MG 2.333 . 3.013 2.300 2.235 2.369 . 0 0 "[ . 1]" 1
788 1 46 ILE MG 1 47 CYS H 2.533 . 3.335 2.916 2.711 3.089 . 0 0 "[ . 1]" 1
789 1 46 ILE MG 1 47 CYS QB 3.619 . 5.256 4.282 4.197 4.324 . 0 0 "[ . 1]" 1
790 1 46 ILE MG 1 48 TYR QD 2.986 . 4.101 3.238 2.850 3.714 . 0 0 "[ . 1]" 1
791 1 46 ILE MG 1 48 TYR QE 2.765 . 3.721 2.869 2.532 3.343 . 0 0 "[ . 1]" 1
792 1 47 CYS H 1 47 CYS HA 2.942 . 4.024 2.901 2.879 2.930 . 0 0 "[ . 1]" 1
793 1 47 CYS H 1 47 CYS QB 2.556 . 3.372 2.522 2.489 2.555 . 0 0 "[ . 1]" 1
794 1 47 CYS H 1 48 TYR H 3.697 . 5.406 4.577 4.551 4.598 . 0 0 "[ . 1]" 1
795 1 47 CYS H 1 49 PHE QE 3.605 . 5.230 4.300 4.070 4.451 . 0 0 "[ . 1]" 1
796 1 47 CYS HA 1 47 CYS QB 2.962 . 3.383 2.329 2.318 2.340 . 0 0 "[ . 1]" 1
797 1 47 CYS HA 1 48 TYR H 2.224 . 2.842 2.272 2.211 2.325 . 0 0 "[ . 1]" 1
798 1 47 CYS HA 1 48 TYR QD 2.498 . 3.278 3.008 2.819 3.357 0.079 9 0 "[ . 1]" 1
799 1 47 CYS QB 1 48 TYR H 3.138 . 4.369 2.801 2.697 3.011 . 0 0 "[ . 1]" 1
800 1 47 CYS QB 1 48 TYR H 2.694 . 3.601 2.716 2.633 2.874 . 0 0 "[ . 1]" 1
801 1 47 CYS QB 1 49 PHE QD 2.693 . 3.599 3.455 3.428 3.471 . 0 0 "[ . 1]" 1
802 1 47 CYS QB 1 49 PHE QE 2.336 . 2.976 2.020 1.950 2.087 . 0 0 "[ . 1]" 1
803 1 47 CYS QB 1 49 PHE HZ 2.651 . 3.529 3.129 3.078 3.219 . 0 0 "[ . 1]" 1
804 1 48 TYR H 1 48 TYR HB2 2.544 . 3.353 2.454 2.411 2.483 . 0 0 "[ . 1]" 1
805 1 48 TYR H 1 48 TYR QD 2.574 . 3.402 2.541 2.460 2.672 . 0 0 "[ . 1]" 1
806 1 48 TYR H 1 48 TYR QE 3.351 . 4.755 4.806 4.765 4.844 0.089 10 0 "[ . 1]" 1
807 1 48 TYR H 1 49 PHE H 3.910 . 5.821 4.350 4.307 4.389 . 0 0 "[ . 1]" 1
808 1 48 TYR H 1 49 PHE QE 3.498 . 5.027 4.836 4.692 5.005 . 0 0 "[ . 1]" 1
809 1 48 TYR HA 1 48 TYR HB2 2.844 . 3.855 3.011 3.008 3.015 . 0 0 "[ . 1]" 1
810 1 48 TYR HA 1 48 TYR HB3 2.497 . 3.276 2.541 2.525 2.554 . 0 0 "[ . 1]" 1
811 1 48 TYR HA 1 48 TYR QD 2.809 . 3.795 2.972 2.868 3.045 . 0 0 "[ . 1]" 1
812 1 48 TYR HA 1 49 PHE H 2.133 . 2.702 2.117 2.098 2.134 . 0 0 "[ . 1]" 1
813 1 48 TYR HA 1 49 PHE QD 2.811 . 3.799 3.658 3.460 3.805 0.006 6 0 "[ . 1]" 1
814 1 48 TYR HB2 1 48 TYR QD 2.315 . 2.985 2.627 2.414 2.741 . 0 0 "[ . 1]" 1
815 1 48 TYR HB2 1 49 PHE H 3.462 . 4.960 4.299 4.227 4.338 . 0 0 "[ . 1]" 1
816 1 48 TYR HB3 1 48 TYR QD 2.283 . 2.935 2.298 2.261 2.368 . 0 0 "[ . 1]" 1
817 1 48 TYR HB3 1 49 PHE H 2.780 . 3.746 3.359 3.208 3.433 . 0 0 "[ . 1]" 1
818 1 48 TYR QD 1 49 PHE H 3.540 . 5.106 4.420 4.149 4.551 . 0 0 "[ . 1]" 1
819 1 49 PHE H 1 49 PHE HA 2.829 . 3.829 2.943 2.938 2.947 . 0 0 "[ . 1]" 1
820 1 49 PHE H 1 49 PHE HB2 2.457 . 3.211 2.589 2.554 2.647 . 0 0 "[ . 1]" 1
821 1 49 PHE H 1 49 PHE HB3 2.925 . 3.994 3.742 3.721 3.773 . 0 0 "[ . 1]" 1
822 1 49 PHE H 1 49 PHE QD 2.468 . 3.229 2.797 2.630 2.968 . 0 0 "[ . 1]" 1
823 1 49 PHE H 1 49 PHE QE 3.647 . 5.309 4.816 4.702 4.947 . 0 0 "[ . 1]" 1
824 1 49 PHE H 1 50 PRO HD2 3.666 . 5.346 5.161 5.104 5.242 . 0 0 "[ . 1]" 1
825 1 49 PHE H 1 50 PRO HD3 3.836 . 5.675 4.578 4.491 4.641 . 0 0 "[ . 1]" 1
826 1 49 PHE HA 1 49 PHE HB2 2.845 . 3.857 3.025 3.020 3.028 . 0 0 "[ . 1]" 1
827 1 49 PHE HA 1 49 PHE HB3 2.563 . 3.384 2.487 2.460 2.501 . 0 0 "[ . 1]" 1
828 1 49 PHE HA 1 49 PHE QD 2.437 . 3.179 2.930 2.857 3.008 . 0 0 "[ . 1]" 1
829 1 49 PHE HA 1 49 PHE QE 3.593 . 5.207 4.634 4.583 4.661 . 0 0 "[ . 1]" 1
830 1 49 PHE HA 1 50 PRO HD2 2.551 . 3.364 2.630 2.555 2.713 . 0 0 "[ . 1]" 1
831 1 49 PHE HA 1 50 PRO HD3 2.280 . 2.930 1.919 1.853 1.989 . 0 0 "[ . 1]" 1
832 1 49 PHE HA 1 50 PRO HG2 3.341 . 4.737 4.442 4.409 4.485 . 0 0 "[ . 1]" 1
833 1 49 PHE HB2 1 49 PHE QD 2.063 . 2.595 2.398 2.359 2.441 . 0 0 "[ . 1]" 1
834 1 49 PHE HB2 1 50 PRO HD2 3.031 . 4.179 4.230 4.179 4.302 0.123 3 0 "[ . 1]" 1
835 1 49 PHE HB3 1 49 PHE QD 2.075 . 2.613 2.378 2.344 2.418 . 0 0 "[ . 1]" 1
836 1 49 PHE HB3 1 50 PRO HD3 3.074 . 4.255 3.566 3.490 3.645 . 0 0 "[ . 1]" 1
837 1 49 PHE QD 1 50 PRO HD2 2.617 . 3.473 3.343 3.156 3.527 0.054 6 0 "[ . 1]" 1
838 1 49 PHE QD 1 50 PRO HD3 2.858 . 3.879 3.824 3.712 3.901 0.022 1 0 "[ . 1]" 1
839 1 50 PRO HA 1 50 PRO HB3 2.282 . 2.933 2.282 2.240 2.299 . 0 0 "[ . 1]" 1
840 1 50 PRO HA 1 50 PRO HG2 2.886 . 3.927 3.933 3.885 4.002 0.075 3 0 "[ . 1]" 1
841 1 50 PRO HA 1 51 CYS H 1.960 . 2.440 2.123 2.102 2.147 . 0 0 "[ . 1]" 1
842 1 50 PRO HB2 1 50 PRO HD2 2.799 . 3.778 2.978 2.894 3.066 . 0 0 "[ . 1]" 1
843 1 50 PRO HB2 1 50 PRO HD3 3.615 . 5.248 3.880 3.840 3.933 . 0 0 "[ . 1]" 1
844 1 50 PRO HB2 1 51 CYS H 3.048 . 4.209 4.028 3.970 4.083 . 0 0 "[ . 1]" 1
845 1 50 PRO HB3 1 51 CYS H 2.723 . 3.650 3.725 3.657 3.828 0.178 3 0 "[ . 1]" 1
846 1 50 PRO HD2 1 50 PRO HG3 2.341 . 3.026 2.990 2.981 2.998 . 0 0 "[ . 1]" 1
847 1 50 PRO HD3 1 50 PRO HG2 2.386 . 3.098 2.695 2.684 2.712 . 0 0 "[ . 1]" 1
848 1 50 PRO HD3 1 50 PRO HG3 2.531 . 3.331 2.305 2.295 2.318 . 0 0 "[ . 1]" 1
849 1 51 CYS H 1 51 CYS HA 2.512 . 3.301 2.885 2.789 2.938 . 0 0 "[ . 1]" 1
850 1 51 CYS H 1 51 CYS HB2 2.904 . 3.958 2.757 2.236 3.871 . 0 0 "[ . 1]" 1
851 1 51 CYS H 1 51 CYS HB3 2.649 . 3.526 3.119 2.713 3.600 0.074 10 0 "[ . 1]" 1
852 1 51 CYS HA 1 51 CYS HB2 2.445 . 3.193 2.731 2.262 3.025 . 0 0 "[ . 1]" 1
853 1 51 CYS HA 1 51 CYS HB3 2.375 . 3.080 2.695 2.304 3.006 . 0 0 "[ . 1]" 1
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