NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
375073 |
1eyo   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1eyo
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 453
_Distance_constraint_stats_list.Viol_count 1099
_Distance_constraint_stats_list.Viol_total 2296.386
_Distance_constraint_stats_list.Viol_max 0.370
_Distance_constraint_stats_list.Viol_rms 0.0421
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0127
_Distance_constraint_stats_list.Viol_average_violations_only 0.1045
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 SER 0.370 0.370 19 0 "[ . 1 . 2]"
1 2 CYS 0.389 0.370 19 0 "[ . 1 . 2]"
1 3 SER 2.587 0.172 17 0 "[ . 1 . 2]"
1 4 GLY 3.694 0.191 14 0 "[ . 1 . 2]"
1 5 ARG 2.519 0.132 6 0 "[ . 1 . 2]"
1 6 ASP 0.713 0.116 5 0 "[ . 1 . 2]"
1 7 SER 6.057 0.172 17 0 "[ . 1 . 2]"
1 8 ARG 2.880 0.133 6 0 "[ . 1 . 2]"
1 9 CYS 14.137 0.262 5 0 "[ . 1 . 2]"
1 10 HYP 3.553 0.201 5 0 "[ . 1 . 2]"
1 11 HYP 4.036 0.208 19 0 "[ . 1 . 2]"
1 12 VAL 11.077 0.233 4 0 "[ . 1 . 2]"
1 13 CYS 3.052 0.108 8 0 "[ . 1 . 2]"
1 14 CYS 10.098 0.166 19 0 "[ . 1 . 2]"
1 15 MET 4.498 0.156 7 0 "[ . 1 . 2]"
1 16 GLY 1.594 0.162 2 0 "[ . 1 . 2]"
1 17 LEU 11.287 0.166 19 0 "[ . 1 . 2]"
1 18 MET 4.618 0.177 5 0 "[ . 1 . 2]"
1 19 CYS 9.434 0.287 12 0 "[ . 1 . 2]"
1 20 SER 11.163 0.239 19 0 "[ . 1 . 2]"
1 21 ARG 1.943 0.109 7 0 "[ . 1 . 2]"
1 22 GLY 6.148 0.287 12 0 "[ . 1 . 2]"
1 23 LYS 0.855 0.087 18 0 "[ . 1 . 2]"
1 24 CYS 10.679 0.233 19 0 "[ . 1 . 2]"
1 25 VAL 12.454 0.250 19 0 "[ . 1 . 2]"
1 26 SER 10.683 0.248 10 0 "[ . 1 . 2]"
1 27 ILE 6.232 0.260 19 0 "[ . 1 . 2]"
1 28 TYR 10.405 0.260 19 0 "[ . 1 . 2]"
1 29 GLY 3.909 0.261 6 0 "[ . 1 . 2]"
1 30 GLU 1.577 0.208 13 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 SER HA 1 2 CYS H 0.000 . 2.700 2.341 2.160 3.070 0.370 19 0 "[ . 1 . 2]" 1
2 1 1 SER QB 1 2 CYS H 0.000 . 3.500 2.777 2.284 3.281 . 0 0 "[ . 1 . 2]" 1
3 1 2 CYS H 1 2 CYS QB 0.000 . 3.700 2.989 2.365 3.270 . 0 0 "[ . 1 . 2]" 1
4 1 2 CYS H 1 3 SER H 0.000 . 5.000 4.452 4.343 4.656 . 0 0 "[ . 1 . 2]" 1
5 1 2 CYS H 1 14 CYS HA 0.000 . 6.000 5.731 5.314 6.019 0.019 4 0 "[ . 1 . 2]" 1
6 1 2 CYS HA 1 3 SER H 0.000 . 2.700 2.314 2.246 2.348 . 0 0 "[ . 1 . 2]" 1
7 1 2 CYS HA 1 12 VAL QG 0.000 . 6.000 3.691 3.635 3.803 . 0 0 "[ . 1 . 2]" 1
8 1 2 CYS HA 1 14 CYS HA 0.000 . 5.000 4.512 4.387 4.590 . 0 0 "[ . 1 . 2]" 1
9 1 2 CYS QB 1 3 SER H 0.000 . 3.700 2.544 2.418 2.718 . 0 0 "[ . 1 . 2]" 1
10 1 2 CYS QB 1 14 CYS HA 0.000 . 3.700 2.103 2.038 2.137 . 0 0 "[ . 1 . 2]" 1
11 1 2 CYS QB 1 14 CYS HB2 0.000 . 6.000 4.075 4.032 4.120 . 0 0 "[ . 1 . 2]" 1
12 1 2 CYS QB 1 14 CYS HB3 0.000 . 6.000 3.673 3.558 3.784 . 0 0 "[ . 1 . 2]" 1
13 1 2 CYS QB 1 15 MET H 0.000 . 4.500 4.066 3.971 4.115 . 0 0 "[ . 1 . 2]" 1
14 1 3 SER H 1 3 SER QB 0.000 . 3.700 2.138 2.043 2.924 . 0 0 "[ . 1 . 2]" 1
15 1 3 SER H 1 4 GLY H 0.000 . 5.000 4.273 4.140 4.406 . 0 0 "[ . 1 . 2]" 1
16 1 3 SER H 1 7 SER HB2 0.000 . 5.000 4.857 4.753 5.098 0.098 18 0 "[ . 1 . 2]" 1
17 1 3 SER H 1 7 SER HB3 0.000 . 5.000 5.115 5.077 5.172 0.172 17 0 "[ . 1 . 2]" 1
18 1 3 SER H 1 9 CYS QB 0.000 . 7.000 5.351 5.248 5.632 . 0 0 "[ . 1 . 2]" 1
19 1 3 SER H 1 12 VAL QG 0.000 . 6.000 2.929 2.817 3.251 . 0 0 "[ . 1 . 2]" 1
20 1 3 SER H 1 13 CYS QB 0.000 . 6.000 4.570 4.334 4.849 . 0 0 "[ . 1 . 2]" 1
21 1 3 SER H 1 14 CYS H 0.000 . 3.500 3.461 3.316 3.542 0.042 19 0 "[ . 1 . 2]" 1
22 1 3 SER H 1 14 CYS HA 0.000 . 5.000 4.149 3.942 4.360 . 0 0 "[ . 1 . 2]" 1
23 1 3 SER H 1 14 CYS QB 0.000 . 7.000 4.816 4.662 5.032 . 0 0 "[ . 1 . 2]" 1
24 1 3 SER H 1 17 LEU QD 0.000 . 7.500 5.174 5.040 5.227 . 0 0 "[ . 1 . 2]" 1
25 1 3 SER HA 1 4 GLY H 0.000 . 2.700 2.213 2.158 2.243 . 0 0 "[ . 1 . 2]" 1
26 1 3 SER HA 1 7 SER QB 0.000 . 6.000 2.601 2.426 3.430 . 0 0 "[ . 1 . 2]" 1
27 1 3 SER HA 1 13 CYS HA 0.000 . 5.000 4.076 3.960 4.355 . 0 0 "[ . 1 . 2]" 1
28 1 3 SER HA 1 14 CYS H 0.000 . 5.000 4.773 4.727 4.843 . 0 0 "[ . 1 . 2]" 1
29 1 3 SER QB 1 4 GLY H 0.000 . 4.500 3.839 3.675 4.059 . 0 0 "[ . 1 . 2]" 1
30 1 3 SER QB 1 7 SER H 0.000 . 6.000 4.091 3.929 5.057 . 0 0 "[ . 1 . 2]" 1
31 1 3 SER QB 1 8 ARG H 0.000 . 6.000 4.196 3.508 4.383 . 0 0 "[ . 1 . 2]" 1
32 1 3 SER QB 1 9 CYS HB2 0.000 . 6.000 4.754 4.519 5.417 . 0 0 "[ . 1 . 2]" 1
33 1 3 SER QB 1 9 CYS HB3 0.000 . 6.000 3.270 3.051 3.940 . 0 0 "[ . 1 . 2]" 1
34 1 3 SER QB 1 13 CYS H 0.000 . 6.000 3.272 3.113 3.839 . 0 0 "[ . 1 . 2]" 1
35 1 3 SER QB 1 13 CYS HA 0.000 . 3.700 2.059 1.960 2.470 . 0 0 "[ . 1 . 2]" 1
36 1 3 SER QB 1 13 CYS QB 0.000 . 8.000 3.706 3.534 4.136 . 0 0 "[ . 1 . 2]" 1
37 1 3 SER QB 1 14 CYS H 0.000 . 4.500 3.667 3.543 3.875 . 0 0 "[ . 1 . 2]" 1
38 1 4 GLY H 1 4 GLY HA2 0.000 . 2.700 2.881 2.858 2.891 0.191 14 0 "[ . 1 . 2]" 1
39 1 4 GLY H 1 4 GLY HA3 0.000 . 2.700 2.349 2.335 2.357 . 0 0 "[ . 1 . 2]" 1
40 1 4 GLY H 1 5 ARG H 0.000 . 5.000 4.515 4.413 4.566 . 0 0 "[ . 1 . 2]" 1
41 1 4 GLY H 1 7 SER H 0.000 . 5.000 4.700 4.573 5.048 0.048 18 0 "[ . 1 . 2]" 1
42 1 4 GLY H 1 17 LEU QD 0.000 . 6.000 4.118 4.078 4.171 . 0 0 "[ . 1 . 2]" 1
43 1 4 GLY QA 1 7 SER H 0.000 . 6.000 4.539 4.487 4.737 . 0 0 "[ . 1 . 2]" 1
44 1 4 GLY HA2 1 5 ARG H 0.000 . 2.700 2.671 2.593 2.711 0.011 17 0 "[ . 1 . 2]" 1
45 1 4 GLY HA2 1 14 CYS H 0.000 . 5.000 3.317 3.196 3.365 . 0 0 "[ . 1 . 2]" 1
46 1 4 GLY HA2 1 14 CYS HB2 0.000 . 5.000 2.852 2.716 2.999 . 0 0 "[ . 1 . 2]" 1
47 1 4 GLY HA2 1 14 CYS HB3 0.000 . 5.000 4.049 3.941 4.139 . 0 0 "[ . 1 . 2]" 1
48 1 4 GLY HA2 1 17 LEU QD 0.000 . 5.000 1.998 1.966 2.058 . 0 0 "[ . 1 . 2]" 1
49 1 4 GLY HA3 1 5 ARG H 0.000 . 2.700 2.555 2.430 2.608 . 0 0 "[ . 1 . 2]" 1
50 1 4 GLY HA3 1 14 CYS H 0.000 . 5.000 4.915 4.799 4.958 . 0 0 "[ . 1 . 2]" 1
51 1 4 GLY HA3 1 14 CYS QB 0.000 . 6.000 4.169 4.095 4.248 . 0 0 "[ . 1 . 2]" 1
52 1 4 GLY HA3 1 17 LEU QD 0.000 . 5.000 3.115 3.011 3.200 . 0 0 "[ . 1 . 2]" 1
53 1 5 ARG H 1 5 ARG HA 0.000 . 2.700 2.710 2.683 2.718 0.018 10 0 "[ . 1 . 2]" 1
54 1 5 ARG H 1 5 ARG QB 0.000 . 3.700 2.291 2.121 2.369 . 0 0 "[ . 1 . 2]" 1
55 1 5 ARG H 1 5 ARG QD 0.000 . 4.500 3.934 3.476 4.274 . 0 0 "[ . 1 . 2]" 1
56 1 5 ARG H 1 5 ARG QG 0.000 . 3.700 2.506 2.326 2.817 . 0 0 "[ . 1 . 2]" 1
57 1 5 ARG H 1 6 ASP H 0.000 . 5.000 4.404 4.376 4.438 . 0 0 "[ . 1 . 2]" 1
58 1 5 ARG H 1 7 SER H 0.000 . 5.000 4.795 4.765 4.916 . 0 0 "[ . 1 . 2]" 1
59 1 5 ARG H 1 17 LEU QB 0.000 . 6.000 4.777 4.650 4.870 . 0 0 "[ . 1 . 2]" 1
60 1 5 ARG H 1 17 LEU MD1 0.000 . 4.200 2.043 1.905 2.206 . 0 0 "[ . 1 . 2]" 1
61 1 5 ARG H 1 17 LEU MD2 0.000 . 4.200 3.287 3.217 3.333 . 0 0 "[ . 1 . 2]" 1
62 1 5 ARG H 1 17 LEU HG 0.000 . 5.000 4.686 4.555 4.821 . 0 0 "[ . 1 . 2]" 1
63 1 5 ARG HA 1 5 ARG HG2 0.000 . 3.500 2.334 2.109 2.520 . 0 0 "[ . 1 . 2]" 1
64 1 5 ARG HA 1 5 ARG HG3 0.000 . 3.500 2.715 2.402 2.970 . 0 0 "[ . 1 . 2]" 1
65 1 5 ARG HA 1 6 ASP H 0.000 . 2.700 1.943 1.923 1.987 . 0 0 "[ . 1 . 2]" 1
66 1 5 ARG HA 1 7 SER H 0.000 . 3.500 3.614 3.584 3.632 0.132 6 0 "[ . 1 . 2]" 1
67 1 5 ARG HA 1 17 LEU MD1 0.000 . 5.000 2.711 2.567 2.776 . 0 0 "[ . 1 . 2]" 1
68 1 5 ARG HA 1 17 LEU MD2 0.000 . 5.000 2.072 1.998 2.246 . 0 0 "[ . 1 . 2]" 1
69 1 5 ARG HA 1 24 CYS H 0.000 . 5.000 4.226 4.081 4.317 . 0 0 "[ . 1 . 2]" 1
70 1 5 ARG HA 1 24 CYS HB2 0.000 . 5.000 2.082 2.017 2.173 . 0 0 "[ . 1 . 2]" 1
71 1 5 ARG HA 1 24 CYS HB3 0.000 . 5.000 2.934 2.859 3.053 . 0 0 "[ . 1 . 2]" 1
72 1 5 ARG HA 1 26 SER H 0.000 . 6.000 5.558 5.359 5.783 . 0 0 "[ . 1 . 2]" 1
73 1 5 ARG QB 1 6 ASP H 0.000 . 4.500 3.284 3.212 3.386 . 0 0 "[ . 1 . 2]" 1
74 1 5 ARG QB 1 7 SER H 0.000 . 6.000 4.717 4.630 4.796 . 0 0 "[ . 1 . 2]" 1
75 1 5 ARG QB 1 26 SER H 0.000 . 7.000 5.889 5.657 6.186 . 0 0 "[ . 1 . 2]" 1
76 1 5 ARG QD 1 26 SER H 0.000 . 7.000 4.827 4.019 5.472 . 0 0 "[ . 1 . 2]" 1
77 1 5 ARG QG 1 6 ASP H 0.000 . 4.500 3.488 3.212 3.687 . 0 0 "[ . 1 . 2]" 1
78 1 5 ARG QG 1 7 SER H 0.000 . 6.000 5.343 5.268 5.405 . 0 0 "[ . 1 . 2]" 1
79 1 5 ARG QG 1 25 VAL HA 0.000 . 6.000 3.101 2.800 3.277 . 0 0 "[ . 1 . 2]" 1
80 1 5 ARG QG 1 26 SER H 0.000 . 4.500 3.857 3.613 4.016 . 0 0 "[ . 1 . 2]" 1
81 1 6 ASP H 1 6 ASP HA 0.000 . 2.700 2.304 2.286 2.349 . 0 0 "[ . 1 . 2]" 1
82 1 6 ASP H 1 7 SER H 0.000 . 2.700 2.735 2.696 2.816 0.116 5 0 "[ . 1 . 2]" 1
83 1 6 ASP H 1 17 LEU QB 0.000 . 7.000 5.052 4.916 5.210 . 0 0 "[ . 1 . 2]" 1
84 1 6 ASP H 1 17 LEU MD1 0.000 . 5.000 4.112 3.939 4.177 . 0 0 "[ . 1 . 2]" 1
85 1 6 ASP H 1 17 LEU MD2 0.000 . 5.000 3.375 3.228 3.592 . 0 0 "[ . 1 . 2]" 1
86 1 6 ASP H 1 23 LYS QG 0.000 . 6.000 5.219 5.092 5.289 . 0 0 "[ . 1 . 2]" 1
87 1 6 ASP H 1 24 CYS H 0.000 . 3.500 2.758 2.656 2.844 . 0 0 "[ . 1 . 2]" 1
88 1 6 ASP H 1 24 CYS HA 0.000 . 5.000 3.897 3.819 3.989 . 0 0 "[ . 1 . 2]" 1
89 1 6 ASP H 1 24 CYS QB 0.000 . 4.500 1.972 1.853 2.080 . 0 0 "[ . 1 . 2]" 1
90 1 6 ASP H 1 25 VAL HA 0.000 . 5.000 4.270 4.168 4.418 . 0 0 "[ . 1 . 2]" 1
91 1 6 ASP H 1 25 VAL MG1 0.000 . 6.500 4.076 3.935 4.174 . 0 0 "[ . 1 . 2]" 1
92 1 6 ASP H 1 25 VAL MG2 0.000 . 6.500 5.154 5.037 5.330 . 0 0 "[ . 1 . 2]" 1
93 1 6 ASP HA 1 7 SER H 0.000 . 3.500 3.282 3.229 3.369 . 0 0 "[ . 1 . 2]" 1
94 1 6 ASP HA 1 23 LYS QB 0.000 . 6.000 2.019 1.965 2.156 . 0 0 "[ . 1 . 2]" 1
95 1 6 ASP HA 1 23 LYS QG 0.000 . 6.000 3.250 3.132 3.406 . 0 0 "[ . 1 . 2]" 1
96 1 6 ASP HA 1 24 CYS H 0.000 . 3.500 2.750 2.547 3.110 . 0 0 "[ . 1 . 2]" 1
97 1 6 ASP QB 1 7 SER H 0.000 . 3.700 3.419 3.299 3.462 . 0 0 "[ . 1 . 2]" 1
98 1 7 SER H 1 7 SER QB 0.000 . 3.700 2.320 2.181 2.390 . 0 0 "[ . 1 . 2]" 1
99 1 7 SER H 1 8 ARG H 0.000 . 5.000 4.652 4.642 4.667 . 0 0 "[ . 1 . 2]" 1
100 1 7 SER H 1 17 LEU MD1 0.000 . 6.500 4.448 4.257 4.545 . 0 0 "[ . 1 . 2]" 1
101 1 7 SER H 1 17 LEU MD2 0.000 . 6.500 4.839 4.721 5.074 . 0 0 "[ . 1 . 2]" 1
102 1 7 SER H 1 23 LYS HA 0.000 . 5.000 4.008 3.860 4.140 . 0 0 "[ . 1 . 2]" 1
103 1 7 SER H 1 23 LYS QG 0.000 . 6.000 5.007 4.857 5.211 . 0 0 "[ . 1 . 2]" 1
104 1 7 SER H 1 24 CYS H 0.000 . 5.000 2.504 2.381 2.713 . 0 0 "[ . 1 . 2]" 1
105 1 7 SER H 1 24 CYS QB 0.000 . 4.500 2.477 2.379 2.596 . 0 0 "[ . 1 . 2]" 1
106 1 7 SER HA 1 8 ARG H 0.000 . 2.700 2.305 2.263 2.347 . 0 0 "[ . 1 . 2]" 1
107 1 7 SER HA 1 9 CYS H 0.000 . 6.000 6.027 5.998 6.055 0.055 19 0 "[ . 1 . 2]" 1
108 1 7 SER QB 1 8 ARG H 0.000 . 3.700 2.711 2.611 2.803 . 0 0 "[ . 1 . 2]" 1
109 1 8 ARG H 1 8 ARG HA 0.000 . 2.700 2.805 2.758 2.833 0.133 6 0 "[ . 1 . 2]" 1
110 1 8 ARG H 1 8 ARG QB 0.000 . 3.700 2.394 2.179 2.514 . 0 0 "[ . 1 . 2]" 1
111 1 8 ARG H 1 8 ARG QD 0.000 . 6.000 3.937 1.982 4.424 . 0 0 "[ . 1 . 2]" 1
112 1 8 ARG H 1 8 ARG QG 0.000 . 3.700 2.333 1.979 3.477 . 0 0 "[ . 1 . 2]" 1
113 1 8 ARG H 1 9 CYS H 0.000 . 5.000 4.579 4.531 4.600 . 0 0 "[ . 1 . 2]" 1
114 1 8 ARG HA 1 9 CYS H 0.000 . 2.700 2.145 2.083 2.186 . 0 0 "[ . 1 . 2]" 1
115 1 8 ARG HA 1 23 LYS HA 0.000 . 3.500 3.539 3.518 3.587 0.087 18 0 "[ . 1 . 2]" 1
116 1 8 ARG HA 1 23 LYS QB 0.000 . 6.000 5.424 5.373 5.462 . 0 0 "[ . 1 . 2]" 1
117 1 8 ARG HA 1 23 LYS QG 0.000 . 6.000 4.315 4.166 4.364 . 0 0 "[ . 1 . 2]" 1
118 1 8 ARG HA 1 24 CYS H 0.000 . 5.000 4.683 4.583 4.748 . 0 0 "[ . 1 . 2]" 1
119 1 8 ARG QB 1 9 CYS H 0.000 . 3.700 3.182 3.109 3.225 . 0 0 "[ . 1 . 2]" 1
120 1 8 ARG QD 1 9 CYS H 0.000 . 4.500 3.679 3.293 4.073 . 0 0 "[ . 1 . 2]" 1
121 1 8 ARG QG 1 9 CYS H 0.000 . 6.000 4.409 3.648 4.677 . 0 0 "[ . 1 . 2]" 1
122 1 9 CYS H 1 9 CYS HA 0.000 . 2.700 2.883 2.877 2.890 0.190 6 0 "[ . 1 . 2]" 1
123 1 9 CYS H 1 9 CYS HB2 0.000 . 3.500 3.727 3.702 3.762 0.262 5 0 "[ . 1 . 2]" 1
124 1 9 CYS H 1 9 CYS HB3 0.000 . 3.500 3.591 3.576 3.609 0.109 19 0 "[ . 1 . 2]" 1
125 1 9 CYS H 1 10 HYP HA 0.000 . 5.000 4.688 4.680 4.702 . 0 0 "[ . 1 . 2]" 1
126 1 9 CYS H 1 22 GLY HA2 0.000 . 5.000 2.581 2.302 2.879 . 0 0 "[ . 1 . 2]" 1
127 1 9 CYS H 1 22 GLY HA3 0.000 . 5.000 4.038 3.783 4.347 . 0 0 "[ . 1 . 2]" 1
128 1 9 CYS H 1 23 LYS QB 0.000 . 7.000 5.925 5.806 6.008 . 0 0 "[ . 1 . 2]" 1
129 1 9 CYS H 1 23 LYS QG 0.000 . 6.000 5.370 5.148 5.464 . 0 0 "[ . 1 . 2]" 1
130 1 9 CYS H 1 24 CYS H 0.000 . 6.000 5.121 5.013 5.229 . 0 0 "[ . 1 . 2]" 1
131 1 9 CYS HA 1 9 CYS HB2 0.000 . 2.700 2.658 2.618 2.685 . 0 0 "[ . 1 . 2]" 1
132 1 9 CYS HA 1 9 CYS HB3 0.000 . 2.700 2.292 2.266 2.308 . 0 0 "[ . 1 . 2]" 1
133 1 9 CYS HA 1 10 HYP HA 0.000 . 2.700 2.391 2.325 2.423 . 0 0 "[ . 1 . 2]" 1
134 1 9 CYS HA 1 11 HYP HA 0.000 . 5.000 4.838 4.810 4.855 . 0 0 "[ . 1 . 2]" 1
135 1 9 CYS HA 1 12 VAL H 0.000 . 6.000 2.723 2.690 2.769 . 0 0 "[ . 1 . 2]" 1
136 1 9 CYS HA 1 12 VAL HA 0.000 . 6.000 4.839 4.784 4.938 . 0 0 "[ . 1 . 2]" 1
137 1 9 CYS QB 1 11 HYP HB2 0.000 . 8.000 5.494 5.432 5.587 . 0 0 "[ . 1 . 2]" 1
138 1 9 CYS HB2 1 10 HYP HA 0.000 . 3.500 1.993 1.971 2.032 . 0 0 "[ . 1 . 2]" 1
139 1 9 CYS HB2 1 12 VAL H 0.000 . 6.000 3.367 3.322 3.481 . 0 0 "[ . 1 . 2]" 1
140 1 9 CYS HB2 1 12 VAL HA 0.000 . 6.000 5.869 5.811 5.974 . 0 0 "[ . 1 . 2]" 1
141 1 9 CYS HB2 1 13 CYS H 0.000 . 3.500 2.988 2.922 3.054 . 0 0 "[ . 1 . 2]" 1
142 1 9 CYS HB2 1 19 CYS H 0.000 . 6.000 4.686 4.629 4.736 . 0 0 "[ . 1 . 2]" 1
143 1 9 CYS HB2 1 19 CYS HA 0.000 . 6.000 4.117 4.082 4.153 . 0 0 "[ . 1 . 2]" 1
144 1 9 CYS HB2 1 19 CYS HB2 0.000 . 6.000 2.312 2.266 2.405 . 0 0 "[ . 1 . 2]" 1
145 1 9 CYS HB2 1 19 CYS HB3 0.000 . 6.000 3.884 3.842 3.971 . 0 0 "[ . 1 . 2]" 1
146 1 9 CYS HB3 1 10 HYP HA 0.000 . 3.500 2.697 2.630 2.765 . 0 0 "[ . 1 . 2]" 1
147 1 9 CYS HB3 1 12 VAL H 0.000 . 6.000 3.178 3.048 3.360 . 0 0 "[ . 1 . 2]" 1
148 1 9 CYS HB3 1 12 VAL HA 0.000 . 6.000 4.959 4.877 5.118 . 0 0 "[ . 1 . 2]" 1
149 1 9 CYS HB3 1 13 CYS H 0.000 . 3.500 2.258 2.145 2.316 . 0 0 "[ . 1 . 2]" 1
150 1 9 CYS HB3 1 19 CYS H 0.000 . 6.000 6.180 6.127 6.225 0.225 18 0 "[ . 1 . 2]" 1
151 1 9 CYS HB3 1 19 CYS HA 0.000 . 6.000 5.080 5.044 5.124 . 0 0 "[ . 1 . 2]" 1
152 1 9 CYS HB3 1 19 CYS HB2 0.000 . 6.000 3.902 3.861 3.983 . 0 0 "[ . 1 . 2]" 1
153 1 9 CYS HB3 1 19 CYS HB3 0.000 . 6.000 5.337 5.298 5.405 . 0 0 "[ . 1 . 2]" 1
154 1 10 HYP HA 1 10 HYP HB2 0.000 . 3.500 2.270 2.264 2.275 . 0 0 "[ . 1 . 2]" 1
155 1 10 HYP HA 1 12 VAL H 0.000 . 3.500 1.750 1.726 1.792 . 0 0 "[ . 1 . 2]" 1
156 1 10 HYP HA 1 12 VAL HA 0.000 . 5.000 4.636 4.611 4.682 . 0 0 "[ . 1 . 2]" 1
157 1 10 HYP HA 1 13 CYS H 0.000 . 6.000 2.757 2.618 2.903 . 0 0 "[ . 1 . 2]" 1
158 1 10 HYP HB2 1 10 HYP HG 0.000 . 3.500 2.998 2.981 3.016 . 0 0 "[ . 1 . 2]" 1
159 1 10 HYP HB2 1 11 HYP HA 0.000 . 3.500 2.659 2.591 2.705 . 0 0 "[ . 1 . 2]" 1
160 1 10 HYP HB2 1 12 VAL H 0.000 . 3.500 3.678 3.658 3.701 0.201 5 0 "[ . 1 . 2]" 1
161 1 10 HYP HD1 1 18 MET QG 0.000 . 8.000 4.846 4.530 5.343 . 0 0 "[ . 1 . 2]" 1
162 1 11 HYP HA 1 11 HYP HB2 0.000 . 3.500 2.353 2.345 2.360 . 0 0 "[ . 1 . 2]" 1
163 1 11 HYP HA 1 12 VAL H 0.000 . 2.700 2.603 2.586 2.637 . 0 0 "[ . 1 . 2]" 1
164 1 11 HYP HB2 1 11 HYP HG 0.000 . 2.700 2.902 2.893 2.908 0.208 19 0 "[ . 1 . 2]" 1
165 1 11 HYP HB2 1 12 VAL H 0.000 . 5.000 4.594 4.586 4.604 . 0 0 "[ . 1 . 2]" 1
166 1 12 VAL H 1 12 VAL HA 0.000 . 2.700 2.928 2.922 2.933 0.233 4 0 "[ . 1 . 2]" 1
167 1 12 VAL H 1 12 VAL HB 0.000 . 2.700 2.688 2.645 2.747 0.047 17 0 "[ . 1 . 2]" 1
168 1 12 VAL H 1 13 CYS H 0.000 . 3.500 2.366 2.317 2.453 . 0 0 "[ . 1 . 2]" 1
169 1 12 VAL HA 1 13 CYS H 0.000 . 3.500 3.488 3.470 3.525 0.025 19 0 "[ . 1 . 2]" 1
170 1 12 VAL HA 1 13 CYS QB 0.000 . 7.000 5.347 5.259 5.488 . 0 0 "[ . 1 . 2]" 1
171 1 12 VAL HB 1 13 CYS H 0.000 . 2.700 2.763 2.718 2.808 0.108 8 0 "[ . 1 . 2]" 1
172 1 12 VAL HB 1 14 CYS H 0.000 . 6.000 6.078 6.058 6.107 0.107 10 0 "[ . 1 . 2]" 1
173 1 12 VAL QG 1 13 CYS H 0.000 . 5.200 3.369 3.336 3.383 . 0 0 "[ . 1 . 2]" 1
174 1 12 VAL QG 1 14 CYS H 0.000 . 7.500 5.299 5.225 5.433 . 0 0 "[ . 1 . 2]" 1
175 1 13 CYS H 1 13 CYS HB2 0.000 . 3.500 2.496 2.445 2.738 . 0 0 "[ . 1 . 2]" 1
176 1 13 CYS H 1 13 CYS HB3 0.000 . 3.500 3.580 3.569 3.596 0.096 17 0 "[ . 1 . 2]" 1
177 1 13 CYS H 1 14 CYS H 0.000 . 5.000 4.505 4.472 4.559 . 0 0 "[ . 1 . 2]" 1
178 1 13 CYS H 1 17 LEU HB2 0.000 . 6.000 5.571 5.310 5.652 . 0 0 "[ . 1 . 2]" 1
179 1 13 CYS H 1 17 LEU HB3 0.000 . 6.000 5.381 5.142 5.444 . 0 0 "[ . 1 . 2]" 1
180 1 13 CYS H 1 17 LEU QD 0.000 . 8.500 5.558 5.305 5.624 . 0 0 "[ . 1 . 2]" 1
181 1 13 CYS H 1 18 MET HA 0.000 . 5.000 4.666 4.472 4.932 . 0 0 "[ . 1 . 2]" 1
182 1 13 CYS H 1 19 CYS H 0.000 . 7.000 6.878 6.747 6.967 . 0 0 "[ . 1 . 2]" 1
183 1 13 CYS H 1 19 CYS QB 0.000 . 6.000 5.040 4.994 5.097 . 0 0 "[ . 1 . 2]" 1
184 1 13 CYS HA 1 14 CYS H 0.000 . 2.700 2.132 2.093 2.170 . 0 0 "[ . 1 . 2]" 1
185 1 13 CYS HA 1 17 LEU HB2 0.000 . 5.000 4.114 3.955 4.292 . 0 0 "[ . 1 . 2]" 1
186 1 13 CYS HA 1 17 LEU HB3 0.000 . 5.000 4.266 4.085 4.431 . 0 0 "[ . 1 . 2]" 1
187 1 13 CYS HA 1 17 LEU QD 0.000 . 7.500 3.933 3.705 4.116 . 0 0 "[ . 1 . 2]" 1
188 1 13 CYS HA 1 24 CYS QB 0.000 . 6.000 4.316 4.153 4.535 . 0 0 "[ . 1 . 2]" 1
189 1 13 CYS QB 1 14 CYS H 0.000 . 4.500 2.229 2.007 2.449 . 0 0 "[ . 1 . 2]" 1
190 1 13 CYS QB 1 17 LEU HA 0.000 . 7.000 3.959 3.882 4.013 . 0 0 "[ . 1 . 2]" 1
191 1 13 CYS QB 1 24 CYS HA 0.000 . 7.000 4.144 3.945 4.306 . 0 0 "[ . 1 . 2]" 1
192 1 13 CYS QB 1 24 CYS QB 0.000 . 7.000 3.105 2.750 3.332 . 0 0 "[ . 1 . 2]" 1
193 1 13 CYS HB2 1 17 LEU H 0.000 . 5.000 4.483 4.106 4.719 . 0 0 "[ . 1 . 2]" 1
194 1 13 CYS HB2 1 17 LEU HB2 0.000 . 3.500 3.436 2.765 3.535 0.035 5 0 "[ . 1 . 2]" 1
195 1 13 CYS HB2 1 17 LEU HB3 0.000 . 3.500 3.315 2.787 3.499 . 0 0 "[ . 1 . 2]" 1
196 1 13 CYS HB2 1 17 LEU MD1 0.000 . 6.500 4.594 3.978 4.712 . 0 0 "[ . 1 . 2]" 1
197 1 13 CYS HB2 1 17 LEU MD2 0.000 . 6.500 5.052 4.658 5.259 . 0 0 "[ . 1 . 2]" 1
198 1 13 CYS HB2 1 17 LEU HG 0.000 . 6.000 5.846 5.205 5.973 . 0 0 "[ . 1 . 2]" 1
199 1 13 CYS HB2 1 18 MET H 0.000 . 5.000 4.307 4.181 4.515 . 0 0 "[ . 1 . 2]" 1
200 1 13 CYS HB2 1 18 MET HA 0.000 . 5.000 3.007 2.769 3.419 . 0 0 "[ . 1 . 2]" 1
201 1 13 CYS HB3 1 17 LEU H 0.000 . 5.000 3.822 3.556 4.141 . 0 0 "[ . 1 . 2]" 1
202 1 13 CYS HB3 1 17 LEU HB2 0.000 . 3.500 2.060 1.964 2.149 . 0 0 "[ . 1 . 2]" 1
203 1 13 CYS HB3 1 17 LEU HB3 0.000 . 3.500 2.095 2.060 2.136 . 0 0 "[ . 1 . 2]" 1
204 1 13 CYS HB3 1 17 LEU QD 0.000 . 7.500 3.011 2.591 3.089 . 0 0 "[ . 1 . 2]" 1
205 1 13 CYS HB3 1 17 LEU HG 0.000 . 6.000 4.476 4.290 4.554 . 0 0 "[ . 1 . 2]" 1
206 1 13 CYS HB3 1 18 MET H 0.000 . 5.000 4.246 4.127 4.627 . 0 0 "[ . 1 . 2]" 1
207 1 13 CYS HB3 1 18 MET HA 0.000 . 5.000 4.158 3.963 4.811 . 0 0 "[ . 1 . 2]" 1
208 1 14 CYS H 1 14 CYS HA 0.000 . 2.700 2.849 2.838 2.859 0.159 5 0 "[ . 1 . 2]" 1
209 1 14 CYS H 1 14 CYS HB2 0.000 . 2.700 2.377 2.276 2.507 . 0 0 "[ . 1 . 2]" 1
210 1 14 CYS H 1 14 CYS HB3 0.000 . 3.500 3.535 3.517 3.577 0.077 5 0 "[ . 1 . 2]" 1
211 1 14 CYS H 1 15 MET H 0.000 . 5.000 4.590 4.565 4.622 . 0 0 "[ . 1 . 2]" 1
212 1 14 CYS H 1 17 LEU HB2 0.000 . 3.500 2.721 2.667 2.791 . 0 0 "[ . 1 . 2]" 1
213 1 14 CYS H 1 17 LEU HB3 0.000 . 3.500 3.617 3.569 3.666 0.166 19 0 "[ . 1 . 2]" 1
214 1 14 CYS H 1 17 LEU MD1 0.000 . 6.500 2.765 2.379 2.936 . 0 0 "[ . 1 . 2]" 1
215 1 14 CYS H 1 17 LEU MD2 0.000 . 6.500 4.833 4.765 4.917 . 0 0 "[ . 1 . 2]" 1
216 1 14 CYS H 1 17 LEU HG 0.000 . 5.000 4.817 4.628 4.940 . 0 0 "[ . 1 . 2]" 1
217 1 14 CYS HA 1 15 MET H 0.000 . 2.700 2.434 2.407 2.483 . 0 0 "[ . 1 . 2]" 1
218 1 14 CYS HB2 1 15 MET H 0.000 . 3.500 3.529 3.394 3.578 0.078 18 0 "[ . 1 . 2]" 1
219 1 14 CYS HB2 1 17 LEU QD 0.000 . 6.000 1.943 1.921 1.991 . 0 0 "[ . 1 . 2]" 1
220 1 14 CYS HB2 1 17 LEU HG 0.000 . 5.000 3.765 3.571 3.900 . 0 0 "[ . 1 . 2]" 1
221 1 14 CYS HB3 1 15 MET H 0.000 . 3.500 2.446 2.333 2.564 . 0 0 "[ . 1 . 2]" 1
222 1 14 CYS HB3 1 17 LEU QD 0.000 . 6.000 3.329 3.195 3.482 . 0 0 "[ . 1 . 2]" 1
223 1 14 CYS HB3 1 17 LEU HG 0.000 . 5.000 5.081 5.024 5.112 0.112 7 0 "[ . 1 . 2]" 1
224 1 15 MET H 1 15 MET HA 0.000 . 2.700 2.845 2.819 2.856 0.156 7 0 "[ . 1 . 2]" 1
225 1 15 MET H 1 15 MET HB2 0.000 . 3.500 2.452 2.146 3.584 0.084 16 0 "[ . 1 . 2]" 1
226 1 15 MET H 1 15 MET HB3 0.000 . 3.500 2.846 2.504 3.549 0.049 18 0 "[ . 1 . 2]" 1
227 1 15 MET H 1 15 MET QG 0.000 . 4.500 3.545 2.102 3.982 . 0 0 "[ . 1 . 2]" 1
228 1 15 MET H 1 16 GLY H 0.000 . 5.000 4.372 4.305 4.467 . 0 0 "[ . 1 . 2]" 1
229 1 15 MET H 1 17 LEU H 0.000 . 5.000 4.499 4.345 4.625 . 0 0 "[ . 1 . 2]" 1
230 1 15 MET H 1 17 LEU QD 0.000 . 7.500 4.805 4.550 4.935 . 0 0 "[ . 1 . 2]" 1
231 1 15 MET HA 1 16 GLY H 0.000 . 2.700 2.126 2.088 2.156 . 0 0 "[ . 1 . 2]" 1
232 1 15 MET HA 1 17 LEU H 0.000 . 3.500 3.528 3.474 3.572 0.072 2 0 "[ . 1 . 2]" 1
233 1 15 MET HB2 1 16 GLY H 0.000 . 5.000 4.426 3.487 4.600 . 0 0 "[ . 1 . 2]" 1
234 1 15 MET HB2 1 17 LEU H 0.000 . 6.000 5.582 5.183 5.739 . 0 0 "[ . 1 . 2]" 1
235 1 15 MET HB3 1 16 GLY H 0.000 . 5.000 4.215 3.696 4.400 . 0 0 "[ . 1 . 2]" 1
236 1 15 MET HB3 1 17 LEU H 0.000 . 6.000 5.355 5.068 5.650 . 0 0 "[ . 1 . 2]" 1
237 1 15 MET QG 1 16 GLY H 0.000 . 4.500 3.411 2.994 4.177 . 0 0 "[ . 1 . 2]" 1
238 1 15 MET QG 1 17 LEU H 0.000 . 6.000 4.971 4.545 5.314 . 0 0 "[ . 1 . 2]" 1
239 1 16 GLY H 1 17 LEU H 0.000 . 2.700 2.262 2.070 2.565 . 0 0 "[ . 1 . 2]" 1
240 1 16 GLY H 1 17 LEU HB2 0.000 . 6.000 4.453 4.306 4.722 . 0 0 "[ . 1 . 2]" 1
241 1 16 GLY H 1 17 LEU HB3 0.000 . 6.000 5.735 5.586 6.023 0.023 13 0 "[ . 1 . 2]" 1
242 1 16 GLY H 1 17 LEU QD 0.000 . 7.500 5.048 4.973 5.163 . 0 0 "[ . 1 . 2]" 1
243 1 16 GLY H 1 17 LEU HG 0.000 . 5.000 5.079 5.017 5.162 0.162 2 0 "[ . 1 . 2]" 1
244 1 16 GLY H 1 27 ILE MD 0.000 . 6.500 5.032 4.062 5.440 . 0 0 "[ . 1 . 2]" 1
245 1 16 GLY H 1 27 ILE MG 0.000 . 5.000 4.074 3.887 4.170 . 0 0 "[ . 1 . 2]" 1
246 1 16 GLY QA 1 27 ILE HG12 0.000 . 7.000 3.174 2.430 4.898 . 0 0 "[ . 1 . 2]" 1
247 1 16 GLY HA2 1 17 LEU H 0.000 . 3.500 3.388 3.329 3.452 . 0 0 "[ . 1 . 2]" 1
248 1 16 GLY HA2 1 27 ILE H 0.000 . 6.000 3.939 3.809 4.094 . 0 0 "[ . 1 . 2]" 1
249 1 16 GLY HA2 1 27 ILE MD 0.000 . 7.500 3.125 2.092 3.749 . 0 0 "[ . 1 . 2]" 1
250 1 16 GLY HA2 1 27 ILE HG13 0.000 . 6.000 2.845 2.325 4.305 . 0 0 "[ . 1 . 2]" 1
251 1 16 GLY HA2 1 27 ILE MG 0.000 . 6.500 3.570 2.958 3.983 . 0 0 "[ . 1 . 2]" 1
252 1 16 GLY HA2 1 28 TYR QE 0.000 . 7.000 4.653 2.641 5.633 . 0 0 "[ . 1 . 2]" 1
253 1 16 GLY HA3 1 17 LEU H 0.000 . 3.500 3.131 3.029 3.235 . 0 0 "[ . 1 . 2]" 1
254 1 16 GLY HA3 1 27 ILE H 0.000 . 6.000 4.501 4.381 4.584 . 0 0 "[ . 1 . 2]" 1
255 1 16 GLY HA3 1 27 ILE MD 0.000 . 7.500 4.016 2.963 4.901 . 0 0 "[ . 1 . 2]" 1
256 1 16 GLY HA3 1 27 ILE HG13 0.000 . 6.000 4.062 3.589 5.661 . 0 0 "[ . 1 . 2]" 1
257 1 16 GLY HA3 1 27 ILE MG 0.000 . 6.500 4.729 4.151 5.163 . 0 0 "[ . 1 . 2]" 1
258 1 16 GLY HA3 1 28 TYR QE 0.000 . 7.000 4.725 2.240 5.920 . 0 0 "[ . 1 . 2]" 1
259 1 17 LEU H 1 17 LEU HB2 0.000 . 3.500 2.299 2.254 2.349 . 0 0 "[ . 1 . 2]" 1
260 1 17 LEU H 1 17 LEU HB3 0.000 . 3.500 3.559 3.542 3.583 0.083 16 0 "[ . 1 . 2]" 1
261 1 17 LEU H 1 17 LEU MD1 0.000 . 5.000 3.741 3.613 3.858 . 0 0 "[ . 1 . 2]" 1
262 1 17 LEU H 1 17 LEU MD2 0.000 . 5.000 4.143 4.017 4.210 . 0 0 "[ . 1 . 2]" 1
263 1 17 LEU H 1 17 LEU HG 0.000 . 3.500 3.063 2.799 3.225 . 0 0 "[ . 1 . 2]" 1
264 1 17 LEU H 1 18 MET H 0.000 . 5.000 4.485 4.437 4.526 . 0 0 "[ . 1 . 2]" 1
265 1 17 LEU H 1 24 CYS QB 0.000 . 6.000 5.235 5.206 5.263 . 0 0 "[ . 1 . 2]" 1
266 1 17 LEU H 1 26 SER HA 0.000 . 5.000 4.795 4.603 4.921 . 0 0 "[ . 1 . 2]" 1
267 1 17 LEU HA 1 18 MET H 0.000 . 2.700 2.173 2.136 2.194 . 0 0 "[ . 1 . 2]" 1
268 1 17 LEU HA 1 24 CYS QB 0.000 . 7.000 3.903 3.840 3.971 . 0 0 "[ . 1 . 2]" 1
269 1 17 LEU HA 1 25 VAL H 0.000 . 3.500 3.538 3.425 3.605 0.105 20 0 "[ . 1 . 2]" 1
270 1 17 LEU HA 1 26 SER H 0.000 . 5.000 4.366 4.290 4.478 . 0 0 "[ . 1 . 2]" 1
271 1 17 LEU HA 1 26 SER HA 0.000 . 2.700 2.621 2.331 2.755 0.055 18 0 "[ . 1 . 2]" 1
272 1 17 LEU HA 1 26 SER QB 0.000 . 7.000 4.589 4.281 4.870 . 0 0 "[ . 1 . 2]" 1
273 1 17 LEU HA 1 27 ILE H 0.000 . 3.500 3.204 3.001 3.408 . 0 0 "[ . 1 . 2]" 1
274 1 17 LEU HA 1 27 ILE QG 0.000 . 7.500 4.381 3.741 6.099 . 0 0 "[ . 1 . 2]" 1
275 1 17 LEU HA 1 28 TYR H 0.000 . 6.000 5.661 5.444 5.953 . 0 0 "[ . 1 . 2]" 1
276 1 17 LEU QB 1 18 MET H 0.000 . 3.700 2.902 2.846 2.987 . 0 0 "[ . 1 . 2]" 1
277 1 17 LEU QB 1 24 CYS H 0.000 . 6.000 5.165 5.133 5.193 . 0 0 "[ . 1 . 2]" 1
278 1 17 LEU QB 1 24 CYS HA 0.000 . 6.000 3.474 3.363 3.527 . 0 0 "[ . 1 . 2]" 1
279 1 17 LEU QB 1 26 SER H 0.000 . 6.000 5.436 5.401 5.470 . 0 0 "[ . 1 . 2]" 1
280 1 17 LEU QB 1 26 SER HA 0.000 . 6.000 4.524 4.309 4.676 . 0 0 "[ . 1 . 2]" 1
281 1 17 LEU QB 1 27 ILE H 0.000 . 6.000 5.231 5.069 5.406 . 0 0 "[ . 1 . 2]" 1
282 1 17 LEU HB2 1 24 CYS HB2 0.000 . 5.000 4.849 4.823 4.887 . 0 0 "[ . 1 . 2]" 1
283 1 17 LEU HB2 1 24 CYS HB3 0.000 . 5.000 3.391 3.322 3.425 . 0 0 "[ . 1 . 2]" 1
284 1 17 LEU HB2 1 25 VAL H 0.000 . 5.000 4.959 4.898 5.006 0.006 11 0 "[ . 1 . 2]" 1
285 1 17 LEU HB3 1 24 CYS HB2 0.000 . 5.000 3.594 3.542 3.632 . 0 0 "[ . 1 . 2]" 1
286 1 17 LEU HB3 1 24 CYS HB3 0.000 . 5.000 1.918 1.893 1.949 . 0 0 "[ . 1 . 2]" 1
287 1 17 LEU HB3 1 25 VAL H 0.000 . 5.000 3.306 3.242 3.359 . 0 0 "[ . 1 . 2]" 1
288 1 17 LEU QD 1 26 SER H 0.000 . 5.200 2.811 2.730 2.911 . 0 0 "[ . 1 . 2]" 1
289 1 17 LEU MD1 1 18 MET H 0.000 . 6.000 4.835 4.774 4.948 . 0 0 "[ . 1 . 2]" 1
290 1 17 LEU MD1 1 24 CYS H 0.000 . 6.500 5.054 4.840 5.244 . 0 0 "[ . 1 . 2]" 1
291 1 17 LEU MD1 1 24 CYS HA 0.000 . 7.500 4.566 4.356 4.725 . 0 0 "[ . 1 . 2]" 1
292 1 17 LEU MD1 1 24 CYS HB2 0.000 . 6.500 2.872 2.581 3.126 . 0 0 "[ . 1 . 2]" 1
293 1 17 LEU MD1 1 24 CYS HB3 0.000 . 6.500 2.365 2.128 2.567 . 0 0 "[ . 1 . 2]" 1
294 1 17 LEU MD1 1 25 VAL H 0.000 . 6.500 4.541 4.330 4.670 . 0 0 "[ . 1 . 2]" 1
295 1 17 LEU MD1 1 25 VAL HA 0.000 . 6.500 4.848 4.696 4.943 . 0 0 "[ . 1 . 2]" 1
296 1 17 LEU MD1 1 26 SER HA 0.000 . 6.500 4.975 4.861 5.176 . 0 0 "[ . 1 . 2]" 1
297 1 17 LEU MD2 1 18 MET H 0.000 . 6.000 2.961 2.837 3.043 . 0 0 "[ . 1 . 2]" 1
298 1 17 LEU MD2 1 24 CYS H 0.000 . 6.500 4.672 4.591 4.786 . 0 0 "[ . 1 . 2]" 1
299 1 17 LEU MD2 1 24 CYS HA 0.000 . 7.500 3.435 3.383 3.507 . 0 0 "[ . 1 . 2]" 1
300 1 17 LEU MD2 1 24 CYS HB2 0.000 . 6.500 2.772 2.635 3.005 . 0 0 "[ . 1 . 2]" 1
301 1 17 LEU MD2 1 24 CYS HB3 0.000 . 6.500 2.107 2.050 2.244 . 0 0 "[ . 1 . 2]" 1
302 1 17 LEU MD2 1 25 VAL H 0.000 . 6.500 2.364 2.290 2.449 . 0 0 "[ . 1 . 2]" 1
303 1 17 LEU MD2 1 25 VAL HA 0.000 . 6.500 2.569 2.454 2.618 . 0 0 "[ . 1 . 2]" 1
304 1 17 LEU MD2 1 26 SER HA 0.000 . 6.500 2.818 2.592 3.058 . 0 0 "[ . 1 . 2]" 1
305 1 17 LEU HG 1 18 MET H 0.000 . 5.000 4.669 4.610 4.717 . 0 0 "[ . 1 . 2]" 1
306 1 17 LEU HG 1 24 CYS QB 0.000 . 6.000 3.920 3.863 3.976 . 0 0 "[ . 1 . 2]" 1
307 1 17 LEU HG 1 25 VAL H 0.000 . 5.000 5.098 5.070 5.112 0.112 1 0 "[ . 1 . 2]" 1
308 1 17 LEU HG 1 26 SER H 0.000 . 5.000 5.037 4.968 5.101 0.101 5 0 "[ . 1 . 2]" 1
309 1 17 LEU HG 1 26 SER HA 0.000 . 5.000 3.687 3.559 3.903 . 0 0 "[ . 1 . 2]" 1
310 1 18 MET H 1 18 MET HG2 0.000 . 3.500 2.806 2.304 3.314 . 0 0 "[ . 1 . 2]" 1
311 1 18 MET H 1 18 MET HG3 0.000 . 3.500 2.465 2.311 2.791 . 0 0 "[ . 1 . 2]" 1
312 1 18 MET H 1 19 CYS H 0.000 . 5.000 3.884 3.766 4.028 . 0 0 "[ . 1 . 2]" 1
313 1 18 MET H 1 24 CYS HA 0.000 . 3.500 3.652 3.623 3.677 0.177 5 0 "[ . 1 . 2]" 1
314 1 18 MET H 1 24 CYS HB2 0.000 . 6.000 5.497 5.404 5.645 . 0 0 "[ . 1 . 2]" 1
315 1 18 MET H 1 24 CYS HB3 0.000 . 5.000 3.918 3.811 4.125 . 0 0 "[ . 1 . 2]" 1
316 1 18 MET H 1 25 VAL H 0.000 . 3.500 2.429 2.392 2.487 . 0 0 "[ . 1 . 2]" 1
317 1 18 MET H 1 25 VAL HA 0.000 . 5.000 4.689 4.595 4.735 . 0 0 "[ . 1 . 2]" 1
318 1 18 MET H 1 25 VAL MG1 0.000 . 6.500 5.250 5.203 5.304 . 0 0 "[ . 1 . 2]" 1
319 1 18 MET H 1 25 VAL MG2 0.000 . 6.500 3.053 2.972 3.123 . 0 0 "[ . 1 . 2]" 1
320 1 18 MET H 1 26 SER HA 0.000 . 5.000 4.032 3.776 4.174 . 0 0 "[ . 1 . 2]" 1
321 1 18 MET H 1 27 ILE H 0.000 . 5.000 4.168 4.023 4.331 . 0 0 "[ . 1 . 2]" 1
322 1 18 MET H 1 27 ILE HA 0.000 . 5.000 4.535 4.293 4.901 . 0 0 "[ . 1 . 2]" 1
323 1 18 MET HA 1 18 MET HB2 0.000 . 2.700 2.496 2.443 2.563 . 0 0 "[ . 1 . 2]" 1
324 1 18 MET HA 1 18 MET HB3 0.000 . 2.700 2.532 2.478 2.596 . 0 0 "[ . 1 . 2]" 1
325 1 18 MET HA 1 19 CYS H 0.000 . 3.500 3.251 3.130 3.300 . 0 0 "[ . 1 . 2]" 1
326 1 18 MET HB2 1 19 CYS H 0.000 . 3.500 2.121 1.995 2.245 . 0 0 "[ . 1 . 2]" 1
327 1 18 MET HB3 1 19 CYS H 0.000 . 3.500 3.491 3.438 3.552 0.052 16 0 "[ . 1 . 2]" 1
328 1 18 MET QG 1 20 SER H 0.000 . 6.000 4.403 4.190 4.558 . 0 0 "[ . 1 . 2]" 1
329 1 18 MET QG 1 27 ILE HA 0.000 . 6.000 2.374 2.064 2.797 . 0 0 "[ . 1 . 2]" 1
330 1 18 MET HG2 1 19 CYS H 0.000 . 3.500 3.524 3.481 3.572 0.072 5 0 "[ . 1 . 2]" 1
331 1 18 MET HG2 1 27 ILE H 0.000 . 5.000 3.829 3.367 4.424 . 0 0 "[ . 1 . 2]" 1
332 1 18 MET HG3 1 19 CYS H 0.000 . 3.500 2.269 2.036 2.675 . 0 0 "[ . 1 . 2]" 1
333 1 18 MET HG3 1 27 ILE H 0.000 . 5.000 5.044 4.990 5.097 0.097 7 0 "[ . 1 . 2]" 1
334 1 19 CYS H 1 19 CYS HB2 0.000 . 3.500 2.949 2.865 3.008 . 0 0 "[ . 1 . 2]" 1
335 1 19 CYS H 1 19 CYS HB3 0.000 . 3.500 3.368 3.290 3.426 . 0 0 "[ . 1 . 2]" 1
336 1 19 CYS H 1 20 SER H 0.000 . 5.000 4.158 4.028 4.251 . 0 0 "[ . 1 . 2]" 1
337 1 19 CYS H 1 24 CYS HA 0.000 . 5.000 4.700 4.612 4.797 . 0 0 "[ . 1 . 2]" 1
338 1 19 CYS H 1 25 VAL MG1 0.000 . 7.500 5.883 5.711 6.108 . 0 0 "[ . 1 . 2]" 1
339 1 19 CYS H 1 25 VAL MG2 0.000 . 7.500 3.376 3.206 3.574 . 0 0 "[ . 1 . 2]" 1
340 1 19 CYS H 1 27 ILE MG 0.000 . 6.500 4.945 4.551 5.323 . 0 0 "[ . 1 . 2]" 1
341 1 19 CYS HA 1 22 GLY H 0.000 . 3.500 3.752 3.721 3.787 0.287 12 0 "[ . 1 . 2]" 1
342 1 19 CYS HA 1 23 LYS H 0.000 . 3.500 3.303 3.172 3.469 . 0 0 "[ . 1 . 2]" 1
343 1 19 CYS HA 1 24 CYS HA 0.000 . 3.500 2.575 2.530 2.648 . 0 0 "[ . 1 . 2]" 1
344 1 19 CYS HB2 1 20 SER H 0.000 . 5.000 4.336 4.269 4.429 . 0 0 "[ . 1 . 2]" 1
345 1 19 CYS HB2 1 21 ARG H 0.000 . 5.000 4.938 4.747 5.038 0.038 5 0 "[ . 1 . 2]" 1
346 1 19 CYS HB3 1 20 SER H 0.000 . 5.000 3.795 3.715 3.897 . 0 0 "[ . 1 . 2]" 1
347 1 19 CYS HB3 1 21 ARG H 0.000 . 5.000 3.335 3.138 3.451 . 0 0 "[ . 1 . 2]" 1
348 1 20 SER H 1 20 SER HA 0.000 . 2.700 2.926 2.915 2.939 0.239 19 0 "[ . 1 . 2]" 1
349 1 20 SER H 1 20 SER HB2 0.000 . 2.700 2.239 2.210 2.276 . 0 0 "[ . 1 . 2]" 1
350 1 20 SER H 1 20 SER HB3 0.000 . 3.500 3.522 3.510 3.545 0.045 19 0 "[ . 1 . 2]" 1
351 1 20 SER H 1 21 ARG H 0.000 . 3.500 3.527 3.428 3.573 0.073 5 0 "[ . 1 . 2]" 1
352 1 20 SER H 1 22 GLY H 0.000 . 5.000 3.108 3.042 3.178 . 0 0 "[ . 1 . 2]" 1
353 1 20 SER H 1 23 LYS H 0.000 . 2.700 2.664 2.513 2.746 0.046 19 0 "[ . 1 . 2]" 1
354 1 20 SER H 1 23 LYS QB 0.000 . 4.500 3.610 3.461 3.710 . 0 0 "[ . 1 . 2]" 1
355 1 20 SER H 1 23 LYS QG 0.000 . 6.000 5.287 5.136 5.353 . 0 0 "[ . 1 . 2]" 1
356 1 20 SER H 1 24 CYS HA 0.000 . 3.500 3.683 3.648 3.733 0.233 19 0 "[ . 1 . 2]" 1
357 1 20 SER H 1 25 VAL H 0.000 . 5.000 4.104 4.005 4.151 . 0 0 "[ . 1 . 2]" 1
358 1 20 SER H 1 25 VAL HB 0.000 . 5.000 5.088 5.043 5.135 0.135 1 0 "[ . 1 . 2]" 1
359 1 20 SER H 1 25 VAL MG1 0.000 . 5.000 3.393 3.236 3.529 . 0 0 "[ . 1 . 2]" 1
360 1 20 SER H 1 25 VAL MG2 0.000 . 5.000 2.060 2.018 2.129 . 0 0 "[ . 1 . 2]" 1
361 1 20 SER HA 1 21 ARG H 0.000 . 2.700 2.350 2.280 2.428 . 0 0 "[ . 1 . 2]" 1
362 1 20 SER QB 1 23 LYS H 0.000 . 6.000 3.613 3.304 3.950 . 0 0 "[ . 1 . 2]" 1
363 1 20 SER QB 1 25 VAL HB 0.000 . 6.000 4.357 4.105 4.479 . 0 0 "[ . 1 . 2]" 1
364 1 20 SER HB2 1 21 ARG H 0.000 . 5.000 4.504 4.478 4.520 . 0 0 "[ . 1 . 2]" 1
365 1 20 SER HB2 1 25 VAL MG1 0.000 . 6.500 2.399 2.195 2.560 . 0 0 "[ . 1 . 2]" 1
366 1 20 SER HB2 1 25 VAL MG2 0.000 . 6.500 2.337 2.135 2.437 . 0 0 "[ . 1 . 2]" 1
367 1 20 SER HB3 1 21 ARG H 0.000 . 5.000 4.308 4.263 4.359 . 0 0 "[ . 1 . 2]" 1
368 1 20 SER HB3 1 25 VAL MG1 0.000 . 5.000 3.437 3.216 3.585 . 0 0 "[ . 1 . 2]" 1
369 1 20 SER HB3 1 25 VAL MG2 0.000 . 5.000 3.550 3.432 3.604 . 0 0 "[ . 1 . 2]" 1
370 1 21 ARG H 1 21 ARG HA 0.000 . 2.700 2.300 2.279 2.317 . 0 0 "[ . 1 . 2]" 1
371 1 21 ARG H 1 21 ARG QD 0.000 . 6.000 4.885 4.422 5.347 . 0 0 "[ . 1 . 2]" 1
372 1 21 ARG H 1 21 ARG QG 0.000 . 4.500 3.515 2.652 4.095 . 0 0 "[ . 1 . 2]" 1
373 1 21 ARG H 1 22 GLY H 0.000 . 2.700 2.755 2.729 2.809 0.109 7 0 "[ . 1 . 2]" 1
374 1 21 ARG H 1 23 LYS H 0.000 . 5.000 4.117 4.032 4.156 . 0 0 "[ . 1 . 2]" 1
375 1 21 ARG HA 1 22 GLY H 0.000 . 3.500 3.268 3.180 3.365 . 0 0 "[ . 1 . 2]" 1
376 1 21 ARG QB 1 22 GLY H 0.000 . 4.500 3.673 3.305 4.031 . 0 0 "[ . 1 . 2]" 1
377 1 21 ARG QG 1 22 GLY H 0.000 . 4.500 3.820 2.946 4.299 . 0 0 "[ . 1 . 2]" 1
378 1 22 GLY H 1 23 LYS H 0.000 . 2.700 1.736 1.641 1.838 . 0 0 "[ . 1 . 2]" 1
379 1 22 GLY HA2 1 23 LYS H 0.000 . 3.500 3.104 3.010 3.278 . 0 0 "[ . 1 . 2]" 1
380 1 22 GLY HA3 1 23 LYS H 0.000 . 3.500 3.386 3.300 3.426 . 0 0 "[ . 1 . 2]" 1
381 1 23 LYS H 1 23 LYS QG 0.000 . 4.500 3.323 3.150 3.478 . 0 0 "[ . 1 . 2]" 1
382 1 23 LYS H 1 24 CYS H 0.000 . 5.000 4.215 4.126 4.324 . 0 0 "[ . 1 . 2]" 1
383 1 23 LYS H 1 25 VAL QG 0.000 . 7.500 4.013 3.869 4.101 . 0 0 "[ . 1 . 2]" 1
384 1 23 LYS QB 1 24 CYS H 0.000 . 3.700 3.291 3.244 3.320 . 0 0 "[ . 1 . 2]" 1
385 1 23 LYS QG 1 24 CYS H 0.000 . 4.500 4.024 3.921 4.133 . 0 0 "[ . 1 . 2]" 1
386 1 24 CYS H 1 24 CYS HA 0.000 . 2.700 2.836 2.823 2.847 0.147 6 0 "[ . 1 . 2]" 1
387 1 24 CYS H 1 25 VAL H 0.000 . 5.000 4.540 4.517 4.562 . 0 0 "[ . 1 . 2]" 1
388 1 24 CYS H 1 25 VAL MG1 0.000 . 6.500 4.726 4.546 4.852 . 0 0 "[ . 1 . 2]" 1
389 1 24 CYS H 1 25 VAL MG2 0.000 . 6.500 4.940 4.841 5.066 . 0 0 "[ . 1 . 2]" 1
390 1 24 CYS HA 1 25 VAL H 0.000 . 2.700 2.037 1.992 2.071 . 0 0 "[ . 1 . 2]" 1
391 1 24 CYS HA 1 25 VAL MG1 0.000 . 6.500 4.031 3.920 4.114 . 0 0 "[ . 1 . 2]" 1
392 1 24 CYS HA 1 25 VAL MG2 0.000 . 6.500 3.190 3.067 3.252 . 0 0 "[ . 1 . 2]" 1
393 1 24 CYS HA 1 26 SER H 0.000 . 6.000 6.064 6.044 6.080 0.080 3 0 "[ . 1 . 2]" 1
394 1 24 CYS HB2 1 25 VAL H 0.000 . 5.000 3.911 3.806 4.033 . 0 0 "[ . 1 . 2]" 1
395 1 24 CYS HB3 1 25 VAL H 0.000 . 5.000 2.878 2.783 3.082 . 0 0 "[ . 1 . 2]" 1
396 1 25 VAL H 1 25 VAL HB 0.000 . 3.500 3.734 3.709 3.750 0.250 19 0 "[ . 1 . 2]" 1
397 1 25 VAL H 1 25 VAL MG1 0.000 . 4.200 3.441 3.361 3.490 . 0 0 "[ . 1 . 2]" 1
398 1 25 VAL H 1 25 VAL MG2 0.000 . 4.200 2.164 2.111 2.220 . 0 0 "[ . 1 . 2]" 1
399 1 25 VAL H 1 26 SER H 0.000 . 5.000 4.193 4.162 4.235 . 0 0 "[ . 1 . 2]" 1
400 1 25 VAL HA 1 25 VAL HB 0.000 . 2.700 2.587 2.529 2.611 . 0 0 "[ . 1 . 2]" 1
401 1 25 VAL HA 1 26 SER H 0.000 . 2.700 2.181 2.123 2.267 . 0 0 "[ . 1 . 2]" 1
402 1 25 VAL HB 1 26 SER H 0.000 . 2.700 2.858 2.786 2.897 0.197 5 0 "[ . 1 . 2]" 1
403 1 25 VAL MG1 1 26 SER H 0.000 . 5.200 3.565 3.532 3.641 . 0 0 "[ . 1 . 2]" 1
404 1 25 VAL MG2 1 26 SER H 0.000 . 5.200 3.992 3.931 4.032 . 0 0 "[ . 1 . 2]" 1
405 1 26 SER H 1 26 SER HA 0.000 . 2.700 2.806 2.762 2.841 0.141 3 0 "[ . 1 . 2]" 1
406 1 26 SER H 1 26 SER QB 0.000 . 2.700 2.255 2.092 2.380 . 0 0 "[ . 1 . 2]" 1
407 1 26 SER H 1 27 ILE H 0.000 . 5.000 4.508 4.415 4.575 . 0 0 "[ . 1 . 2]" 1
408 1 26 SER HA 1 27 ILE H 0.000 . 2.700 2.072 2.018 2.146 . 0 0 "[ . 1 . 2]" 1
409 1 26 SER HA 1 28 TYR H 0.000 . 3.500 3.659 3.536 3.748 0.248 10 0 "[ . 1 . 2]" 1
410 1 26 SER QB 1 27 ILE H 0.000 . 3.700 3.395 3.107 3.589 . 0 0 "[ . 1 . 2]" 1
411 1 26 SER QB 1 28 TYR H 0.000 . 4.500 3.047 2.700 3.522 . 0 0 "[ . 1 . 2]" 1
412 1 27 ILE H 1 27 ILE HB 0.000 . 3.500 3.580 3.556 3.618 0.118 19 0 "[ . 1 . 2]" 1
413 1 27 ILE H 1 27 ILE MD 0.000 . 5.000 2.437 1.871 3.709 . 0 0 "[ . 1 . 2]" 1
414 1 27 ILE H 1 27 ILE HG12 0.000 . 5.000 3.413 3.097 3.631 . 0 0 "[ . 1 . 2]" 1
415 1 27 ILE H 1 27 ILE HG13 0.000 . 5.000 2.342 1.940 3.926 . 0 0 "[ . 1 . 2]" 1
416 1 27 ILE H 1 28 TYR H 0.000 . 2.700 2.619 2.479 2.748 0.048 10 0 "[ . 1 . 2]" 1
417 1 27 ILE HA 1 27 ILE MD 0.000 . 4.200 3.573 3.506 3.692 . 0 0 "[ . 1 . 2]" 1
418 1 27 ILE HA 1 28 TYR H 0.000 . 3.500 3.381 3.356 3.401 . 0 0 "[ . 1 . 2]" 1
419 1 27 ILE HB 1 28 TYR H 0.000 . 3.500 3.678 3.620 3.760 0.260 19 0 "[ . 1 . 2]" 1
420 1 27 ILE HB 1 28 TYR QD 0.000 . 8.000 4.627 4.146 5.216 . 0 0 "[ . 1 . 2]" 1
421 1 27 ILE HB 1 28 TYR QE 0.000 . 8.000 4.991 4.458 5.619 . 0 0 "[ . 1 . 2]" 1
422 1 27 ILE MD 1 28 TYR H 0.000 . 4.200 2.089 1.842 2.620 . 0 0 "[ . 1 . 2]" 1
423 1 27 ILE MD 1 28 TYR QD 0.000 . 8.500 2.687 2.560 2.987 . 0 0 "[ . 1 . 2]" 1
424 1 27 ILE MD 1 28 TYR QE 0.000 . 7.000 2.692 2.569 2.937 . 0 0 "[ . 1 . 2]" 1
425 1 27 ILE MD 1 29 GLY H 0.000 . 6.500 4.100 3.592 4.680 . 0 0 "[ . 1 . 2]" 1
426 1 27 ILE MD 1 30 GLU H 0.000 . 6.500 5.120 4.481 5.416 . 0 0 "[ . 1 . 2]" 1
427 1 27 ILE HG12 1 28 TYR H 0.000 . 5.000 3.929 2.367 4.472 . 0 0 "[ . 1 . 2]" 1
428 1 27 ILE HG12 1 28 TYR QD 0.000 . 7.000 4.473 2.906 5.022 . 0 0 "[ . 1 . 2]" 1
429 1 27 ILE HG12 1 28 TYR QE 0.000 . 7.000 4.129 3.391 4.536 . 0 0 "[ . 1 . 2]" 1
430 1 27 ILE HG13 1 28 TYR H 0.000 . 5.000 3.393 1.939 3.981 . 0 0 "[ . 1 . 2]" 1
431 1 27 ILE HG13 1 28 TYR QD 0.000 . 7.000 4.420 2.773 5.189 . 0 0 "[ . 1 . 2]" 1
432 1 27 ILE HG13 1 28 TYR QE 0.000 . 7.000 4.388 2.999 5.156 . 0 0 "[ . 1 . 2]" 1
433 1 27 ILE MG 1 28 TYR H 0.000 . 5.000 4.110 3.828 4.309 . 0 0 "[ . 1 . 2]" 1
434 1 27 ILE MG 1 28 TYR QD 0.000 . 8.500 5.175 4.700 5.444 . 0 0 "[ . 1 . 2]" 1
435 1 27 ILE MG 1 28 TYR QE 0.000 . 7.000 5.210 4.609 5.540 . 0 0 "[ . 1 . 2]" 1
436 1 28 TYR H 1 28 TYR HB2 0.000 . 3.500 2.568 2.445 2.800 . 0 0 "[ . 1 . 2]" 1
437 1 28 TYR H 1 28 TYR HB3 0.000 . 3.500 3.625 3.577 3.661 0.161 5 0 "[ . 1 . 2]" 1
438 1 28 TYR H 1 29 GLY H 0.000 . 3.500 2.527 2.126 2.969 . 0 0 "[ . 1 . 2]" 1
439 1 28 TYR HA 1 29 GLY H 0.000 . 3.500 3.526 3.491 3.575 0.075 2 0 "[ . 1 . 2]" 1
440 1 28 TYR HA 1 30 GLU H 0.000 . 5.000 4.766 4.296 5.129 0.129 20 0 "[ . 1 . 2]" 1
441 1 28 TYR QB 1 30 GLU H 0.000 . 7.000 4.142 2.691 4.769 . 0 0 "[ . 1 . 2]" 1
442 1 28 TYR HB2 1 29 GLY H 0.000 . 3.500 2.265 2.111 2.411 . 0 0 "[ . 1 . 2]" 1
443 1 28 TYR HB3 1 29 GLY H 0.000 . 3.500 3.444 3.248 3.538 0.038 11 0 "[ . 1 . 2]" 1
444 1 28 TYR QD 1 29 GLY HA2 0.000 . 7.000 5.913 5.740 6.236 . 0 0 "[ . 1 . 2]" 1
445 1 28 TYR QD 1 29 GLY HA3 0.000 . 7.000 5.851 5.406 6.099 . 0 0 "[ . 1 . 2]" 1
446 1 29 GLY H 1 29 GLY HA2 0.000 . 2.700 2.773 2.477 2.870 0.170 1 0 "[ . 1 . 2]" 1
447 1 29 GLY H 1 29 GLY HA3 0.000 . 2.700 2.482 2.313 2.961 0.261 6 0 "[ . 1 . 2]" 1
448 1 29 GLY H 1 30 GLU H 0.000 . 3.500 2.494 1.701 2.895 . 0 0 "[ . 1 . 2]" 1
449 1 29 GLY HA2 1 30 GLU H 0.000 . 3.500 3.421 2.896 3.523 0.023 18 0 "[ . 1 . 2]" 1
450 1 29 GLY HA3 1 30 GLU H 0.000 . 3.500 2.810 2.618 3.475 . 0 0 "[ . 1 . 2]" 1
451 1 30 GLU H 1 30 GLU HB2 0.000 . 3.500 2.736 2.238 3.424 . 0 0 "[ . 1 . 2]" 1
452 1 30 GLU H 1 30 GLU HB3 0.000 . 3.500 3.223 2.548 3.708 0.208 13 0 "[ . 1 . 2]" 1
453 1 30 GLU H 1 30 GLU QG 0.000 . 4.500 3.856 2.399 4.248 . 0 0 "[ . 1 . 2]" 1
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