Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
529366 | 2lk6 RC | 17997 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lk6
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 786
_Distance_constraint_stats_list.Viol_count 1282
_Distance_constraint_stats_list.Viol_total 1137.861
_Distance_constraint_stats_list.Viol_max 0.208
_Distance_constraint_stats_list.Viol_rms 0.0188
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0045
_Distance_constraint_stats_list.Viol_average_violations_only 0.0493
_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 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 2 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 3 GLU 0.045 0.019 11 0 "[ . 1 . ]"
1 4 GLY 0.079 0.018 14 0 "[ . 1 . ]"
1 5 ASP 0.524 0.084 16 0 "[ . 1 . ]"
1 6 VAL 1.477 0.138 4 0 "[ . 1 . ]"
1 7 TYR 0.023 0.008 18 0 "[ . 1 . ]"
1 8 LYS 1.960 0.121 15 0 "[ . 1 . ]"
1 9 CYS 6.610 0.160 6 0 "[ . 1 . ]"
1 10 GLU 0.024 0.010 13 0 "[ . 1 . ]"
1 11 LEU 0.008 0.006 10 0 "[ . 1 . ]"
1 12 CYS 1.893 0.089 6 0 "[ . 1 . ]"
1 13 GLY 2.308 0.160 6 0 "[ . 1 . ]"
1 14 GLN 2.323 0.150 9 0 "[ . 1 . ]"
1 15 VAL 1.116 0.165 13 0 "[ . 1 . ]"
1 16 VAL 1.353 0.187 12 0 "[ . 1 . ]"
1 17 LYS 0.262 0.042 5 0 "[ . 1 . ]"
1 18 VAL 3.501 0.140 9 0 "[ . 1 . ]"
1 19 LEU 1.259 0.139 5 0 "[ . 1 . ]"
1 20 GLU 1.946 0.126 4 0 "[ . 1 . ]"
1 21 GLU 0.034 0.019 10 0 "[ . 1 . ]"
1 22 GLY 0.216 0.055 1 0 "[ . 1 . ]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 24 GLY 0.429 0.055 1 0 "[ . 1 . ]"
1 25 THR 2.242 0.204 7 0 "[ . 1 . ]"
1 26 LEU 3.681 0.167 6 0 "[ . 1 . ]"
1 27 VAL 4.020 0.167 6 0 "[ . 1 . ]"
1 28 CYS 3.043 0.106 6 0 "[ . 1 . ]"
1 29 CYS 3.672 0.119 11 0 "[ . 1 . ]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 31 GLU 0.082 0.054 6 0 "[ . 1 . ]"
1 32 ASP 0.004 0.002 5 0 "[ . 1 . ]"
1 33 MET 0.362 0.034 3 0 "[ . 1 . ]"
1 34 VAL 2.550 0.121 15 0 "[ . 1 . ]"
1 35 LYS 0.984 0.075 8 0 "[ . 1 . ]"
1 36 GLN 0.742 0.059 4 0 "[ . 1 . ]"
2 1 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 2 ASN 0.000 0.000 . 0 "[ . 1 . ]"
2 3 GLU 0.005 0.005 12 0 "[ . 1 . ]"
2 4 GLY 0.091 0.030 16 0 "[ . 1 . ]"
2 5 ASP 0.482 0.037 12 0 "[ . 1 . ]"
2 6 VAL 1.251 0.086 12 0 "[ . 1 . ]"
2 7 TYR 1.407 0.083 7 0 "[ . 1 . ]"
2 8 LYS 1.929 0.108 14 0 "[ . 1 . ]"
2 9 CYS 9.853 0.208 14 0 "[ . 1 . ]"
2 10 GLU 0.084 0.016 14 0 "[ . 1 . ]"
2 11 LEU 2.494 0.185 11 0 "[ . 1 . ]"
2 12 CYS 2.995 0.178 3 0 "[ . 1 . ]"
2 13 GLY 2.256 0.169 4 0 "[ . 1 . ]"
2 14 GLN 1.893 0.134 6 0 "[ . 1 . ]"
2 15 VAL 2.517 0.126 4 0 "[ . 1 . ]"
2 16 VAL 1.689 0.140 9 0 "[ . 1 . ]"
2 17 LYS 0.146 0.031 6 0 "[ . 1 . ]"
2 18 VAL 2.690 0.187 12 0 "[ . 1 . ]"
2 19 LEU 0.879 0.103 15 0 "[ . 1 . ]"
2 20 GLU 0.854 0.165 13 0 "[ . 1 . ]"
2 21 GLU 0.084 0.039 10 0 "[ . 1 . ]"
2 22 GLY 0.749 0.094 14 0 "[ . 1 . ]"
2 23 GLY 0.069 0.069 10 0 "[ . 1 . ]"
2 24 GLY 0.794 0.094 14 0 "[ . 1 . ]"
2 25 THR 2.309 0.115 17 0 "[ . 1 . ]"
2 26 LEU 5.780 0.151 9 0 "[ . 1 . ]"
2 27 VAL 4.256 0.149 17 0 "[ . 1 . ]"
2 28 CYS 3.379 0.147 3 0 "[ . 1 . ]"
2 29 CYS 4.114 0.178 3 0 "[ . 1 . ]"
2 30 GLY 0.000 0.000 . 0 "[ . 1 . ]"
2 31 GLU 0.152 0.099 3 0 "[ . 1 . ]"
2 32 ASP 0.024 0.024 3 0 "[ . 1 . ]"
2 33 MET 5.260 0.208 14 0 "[ . 1 . ]"
2 34 VAL 2.464 0.108 14 0 "[ . 1 . ]"
2 35 LYS 1.513 0.060 9 0 "[ . 1 . ]"
2 36 GLN 0.690 0.065 7 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ALA MB 1 5 ASP H . . 7.000 5.400 4.898 5.667 . 0 0 "[ . 1 . ]" 1
2 1 1 ALA MB 1 5 ASP HB2 . . 7.000 3.651 3.250 4.069 . 0 0 "[ . 1 . ]" 1
3 1 1 ALA MB 1 7 TYR QD . . 5.200 3.992 3.406 4.233 . 0 0 "[ . 1 . ]" 1
4 1 1 ALA MB 1 7 TYR QE . . 3.400 2.077 1.763 2.467 . 0 0 "[ . 1 . ]" 1
5 1 1 ALA MB 1 26 LEU MD1 . . 6.500 4.184 3.492 4.451 . 0 0 "[ . 1 . ]" 1
6 1 1 ALA MB 2 14 GLN HE21 . . 7.000 4.958 3.849 5.650 . 0 0 "[ . 1 . ]" 1
7 1 1 ALA MB 2 14 GLN HE22 . . 7.000 3.656 2.723 4.400 . 0 0 "[ . 1 . ]" 1
8 1 2 ASN HA 1 3 GLU H . . 3.400 2.302 2.253 2.392 . 0 0 "[ . 1 . ]" 1
9 1 2 ASN HA 1 18 VAL MG1 . . 7.000 4.547 3.871 5.273 . 0 0 "[ . 1 . ]" 1
10 1 2 ASN HA 1 21 GLU QB . . 7.000 2.931 2.070 3.906 . 0 0 "[ . 1 . ]" 1
11 1 2 ASN HA 1 21 GLU QG . . 7.000 3.919 2.991 4.917 . 0 0 "[ . 1 . ]" 1
12 1 3 GLU H 1 3 GLU QB . . 3.200 2.466 2.316 2.542 . 0 0 "[ . 1 . ]" 1
13 1 3 GLU H 1 3 GLU HG2 . . 4.900 3.314 2.989 3.790 . 0 0 "[ . 1 . ]" 1
14 1 3 GLU HA 1 3 GLU HG3 . . 3.100 2.900 2.533 3.119 0.019 11 0 "[ . 1 . ]" 1
15 1 3 GLU HA 1 18 VAL HB . . 6.000 3.633 3.263 3.920 . 0 0 "[ . 1 . ]" 1
16 1 3 GLU HA 1 18 VAL MG1 . . 3.400 2.494 1.994 2.722 . 0 0 "[ . 1 . ]" 1
17 1 3 GLU HA 1 18 VAL MG2 . . 7.000 4.822 4.583 5.012 . 0 0 "[ . 1 . ]" 1
18 1 3 GLU QB 1 5 ASP H . . 5.300 4.664 4.570 4.743 . 0 0 "[ . 1 . ]" 1
19 1 4 GLY H 1 4 GLY HA2 . . 2.400 2.264 2.247 2.387 . 0 0 "[ . 1 . ]" 1
20 1 4 GLY H 1 5 ASP H . . 3.100 2.566 2.310 2.674 . 0 0 "[ . 1 . ]" 1
21 1 4 GLY H 1 17 LYS QB . . 7.000 6.238 5.882 6.320 . 0 0 "[ . 1 . ]" 1
22 1 4 GLY H 1 17 LYS QG . . 7.000 4.597 4.180 5.205 . 0 0 "[ . 1 . ]" 1
23 1 4 GLY H 1 18 VAL HB . . 4.200 3.981 3.184 4.218 0.018 14 0 "[ . 1 . ]" 1
24 1 4 GLY H 1 18 VAL MG1 . . 7.000 3.773 2.946 4.165 . 0 0 "[ . 1 . ]" 1
25 1 4 GLY H 1 18 VAL MG2 . . 7.000 5.352 4.693 5.552 . 0 0 "[ . 1 . ]" 1
26 1 4 GLY HA2 1 5 ASP H . . 3.600 3.000 2.853 3.545 . 0 0 "[ . 1 . ]" 1
27 1 4 GLY HA2 1 17 LYS QB . . 7.000 5.635 5.374 5.935 . 0 0 "[ . 1 . ]" 1
28 1 4 GLY HA2 1 17 LYS QE . . 6.200 2.540 1.850 3.477 . 0 0 "[ . 1 . ]" 1
29 1 4 GLY HA2 1 17 LYS QG . . 6.600 4.020 3.423 4.957 . 0 0 "[ . 1 . ]" 1
30 1 4 GLY HA3 1 17 LYS QE . . 7.000 3.981 3.334 4.775 . 0 0 "[ . 1 . ]" 1
31 1 5 ASP H 1 5 ASP HB2 . . 3.000 2.366 2.127 2.508 . 0 0 "[ . 1 . ]" 1
32 1 5 ASP H 1 5 ASP HB3 . . 3.500 3.488 3.383 3.584 0.084 16 0 "[ . 1 . ]" 1
33 1 5 ASP H 1 6 VAL H . . 4.900 4.476 4.409 4.625 . 0 0 "[ . 1 . ]" 1
34 1 5 ASP H 1 6 VAL MG2 . . 7.000 4.597 4.353 5.425 . 0 0 "[ . 1 . ]" 1
35 1 5 ASP H 1 7 TYR QE . . 6.000 5.652 4.735 5.962 . 0 0 "[ . 1 . ]" 1
36 1 5 ASP H 1 17 LYS QG . . 7.000 4.150 3.199 5.657 . 0 0 "[ . 1 . ]" 1
37 1 5 ASP H 1 18 VAL H . . 4.400 3.444 3.287 4.389 . 0 0 "[ . 1 . ]" 1
38 1 5 ASP H 1 18 VAL HB . . 4.000 2.656 2.320 3.043 . 0 0 "[ . 1 . ]" 1
39 1 5 ASP H 1 18 VAL MG1 . . 7.000 3.682 3.029 3.982 . 0 0 "[ . 1 . ]" 1
40 1 5 ASP HA 1 6 VAL H . . 3.300 2.522 2.273 2.686 . 0 0 "[ . 1 . ]" 1
41 1 5 ASP HB2 1 6 VAL H . . 4.300 3.951 3.653 4.357 0.057 3 0 "[ . 1 . ]" 1
42 1 5 ASP HB2 1 7 TYR QD . . 5.100 4.468 4.086 4.758 . 0 0 "[ . 1 . ]" 1
43 1 5 ASP HB2 1 7 TYR QE . . 4.000 3.750 2.853 4.003 0.003 5 0 "[ . 1 . ]" 1
44 1 5 ASP HB2 1 18 VAL HB . . 5.300 2.637 2.365 3.007 . 0 0 "[ . 1 . ]" 1
45 1 5 ASP HB2 1 18 VAL MG1 . . 6.100 3.488 3.237 3.705 . 0 0 "[ . 1 . ]" 1
46 1 5 ASP HB2 1 18 VAL MG2 . . 4.400 3.316 2.909 3.585 . 0 0 "[ . 1 . ]" 1
47 1 5 ASP HB3 1 6 VAL H . . 3.500 2.591 2.151 3.335 . 0 0 "[ . 1 . ]" 1
48 1 5 ASP HB3 1 7 TYR QD . . 5.000 3.722 3.423 4.080 . 0 0 "[ . 1 . ]" 1
49 1 5 ASP HB3 1 7 TYR QE . . 4.000 3.396 2.722 3.884 . 0 0 "[ . 1 . ]" 1
50 1 5 ASP O 1 18 VAL H . . 2.000 1.968 1.777 2.041 0.041 15 0 "[ . 1 . ]" 1
51 1 5 ASP O 1 18 VAL N . . 3.000 2.799 2.744 2.929 . 0 0 "[ . 1 . ]" 1
52 1 6 VAL H 1 6 VAL HB . . 2.600 2.465 2.149 2.608 0.008 6 0 "[ . 1 . ]" 1
53 1 6 VAL H 1 7 TYR QD . . 6.000 4.564 4.416 4.644 . 0 0 "[ . 1 . ]" 1
54 1 6 VAL H 1 7 TYR QE . . 5.400 5.305 5.131 5.374 . 0 0 "[ . 1 . ]" 1
55 1 6 VAL H 1 18 VAL H . . 4.600 4.646 4.539 4.738 0.138 4 0 "[ . 1 . ]" 1
56 1 6 VAL H 1 35 LYS QE . . 7.000 4.779 2.022 5.573 . 0 0 "[ . 1 . ]" 1
57 1 6 VAL HA 1 7 TYR H . . 3.600 2.309 2.228 2.444 . 0 0 "[ . 1 . ]" 1
58 1 6 VAL HA 1 7 TYR HB2 . . 6.000 4.003 3.956 4.062 . 0 0 "[ . 1 . ]" 1
59 1 6 VAL HA 1 17 LYS HA . . 3.900 2.154 1.996 2.404 . 0 0 "[ . 1 . ]" 1
60 1 6 VAL HA 1 17 LYS QG . . 7.000 4.152 3.328 5.239 . 0 0 "[ . 1 . ]" 1
61 1 6 VAL MG1 1 7 TYR H . . 3.600 2.283 1.947 2.553 . 0 0 "[ . 1 . ]" 1
62 1 6 VAL MG1 1 8 LYS QB . . 4.400 3.303 3.193 3.424 . 0 0 "[ . 1 . ]" 1
63 1 6 VAL MG1 1 15 VAL HA . . 7.000 3.731 3.575 3.947 . 0 0 "[ . 1 . ]" 1
64 1 6 VAL MG1 1 17 LYS HA . . 4.700 3.787 3.683 3.839 . 0 0 "[ . 1 . ]" 1
65 1 6 VAL MG1 1 36 GLN HE22 . . 7.000 5.303 5.214 5.413 . 0 0 "[ . 1 . ]" 1
66 1 6 VAL MG1 1 36 GLN HG2 . . 3.400 2.449 2.337 2.730 . 0 0 "[ . 1 . ]" 1
67 1 6 VAL MG1 1 36 GLN HG3 . . 3.500 1.961 1.910 2.133 . 0 0 "[ . 1 . ]" 1
68 1 6 VAL MG2 1 7 TYR H . . 7.000 3.538 3.031 3.816 . 0 0 "[ . 1 . ]" 1
69 1 6 VAL MG2 1 17 LYS HA . . 3.400 2.314 2.084 2.645 . 0 0 "[ . 1 . ]" 1
70 1 6 VAL MG2 1 17 LYS QE . . 8.000 3.422 1.834 4.516 . 0 0 "[ . 1 . ]" 1
71 1 6 VAL O 1 36 GLN H . . 2.000 2.014 1.835 2.052 0.052 15 0 "[ . 1 . ]" 1
72 1 6 VAL O 1 36 GLN N . . 3.000 2.891 2.797 2.964 . 0 0 "[ . 1 . ]" 1
73 1 7 TYR H 1 7 TYR HB2 . . 3.700 2.349 2.263 2.484 . 0 0 "[ . 1 . ]" 1
74 1 7 TYR H 1 7 TYR QD . . 5.300 3.436 3.249 3.569 . 0 0 "[ . 1 . ]" 1
75 1 7 TYR H 1 16 VAL H . . 3.800 2.668 2.481 2.985 . 0 0 "[ . 1 . ]" 1
76 1 7 TYR H 1 16 VAL O . . 2.000 1.846 1.788 1.936 . 0 0 "[ . 1 . ]" 1
77 1 7 TYR H 1 17 LYS HA . . 5.900 3.508 3.229 3.734 . 0 0 "[ . 1 . ]" 1
78 1 7 TYR H 1 17 LYS QB . . 7.000 4.889 4.586 5.153 . 0 0 "[ . 1 . ]" 1
79 1 7 TYR HA 1 35 LYS HA . . 4.000 2.387 2.107 2.536 . 0 0 "[ . 1 . ]" 1
80 1 7 TYR HA 1 35 LYS QG . . 7.000 3.947 3.352 5.353 . 0 0 "[ . 1 . ]" 1
81 1 7 TYR HA 1 36 GLN HG2 . . 6.000 3.027 2.751 3.227 . 0 0 "[ . 1 . ]" 1
82 1 7 TYR HA 1 36 GLN HG3 . . 6.000 4.129 3.810 4.475 . 0 0 "[ . 1 . ]" 1
83 1 7 TYR HB2 1 7 TYR QD . . 3.300 2.380 2.348 2.468 . 0 0 "[ . 1 . ]" 1
84 1 7 TYR HB2 1 8 LYS H . . 4.700 4.520 4.411 4.569 . 0 0 "[ . 1 . ]" 1
85 1 7 TYR HB2 1 26 LEU MD1 . . 4.700 2.679 2.555 2.859 . 0 0 "[ . 1 . ]" 1
86 1 7 TYR HB3 1 7 TYR QD . . 3.300 2.461 2.372 2.502 . 0 0 "[ . 1 . ]" 1
87 1 7 TYR HB3 1 8 LYS H . . 4.500 3.603 3.369 3.720 . 0 0 "[ . 1 . ]" 1
88 1 7 TYR HB3 1 16 VAL MG2 . . 3.800 2.959 2.857 3.029 . 0 0 "[ . 1 . ]" 1
89 1 7 TYR HB3 1 26 LEU MD1 . . 7.000 2.684 2.448 2.900 . 0 0 "[ . 1 . ]" 1
90 1 7 TYR HB3 1 33 MET QB . . 4.100 2.594 2.285 2.856 . 0 0 "[ . 1 . ]" 1
91 1 7 TYR HB3 1 33 MET ME . . 6.300 2.882 1.925 3.916 . 0 0 "[ . 1 . ]" 1
92 1 7 TYR QD 1 8 LYS H . . 5.200 3.852 3.738 4.036 . 0 0 "[ . 1 . ]" 1
93 1 7 TYR QD 1 16 VAL MG2 . . 4.300 3.435 3.233 3.550 . 0 0 "[ . 1 . ]" 1
94 1 7 TYR QD 1 18 VAL MG2 . . 3.400 1.874 1.758 2.103 . 0 0 "[ . 1 . ]" 1
95 1 7 TYR QD 1 26 LEU MD1 . . 4.400 2.779 2.610 3.041 . 0 0 "[ . 1 . ]" 1
96 1 7 TYR QD 1 26 LEU HG . . 5.200 4.593 4.442 4.739 . 0 0 "[ . 1 . ]" 1
97 1 7 TYR QD 1 33 MET QB . . 4.500 1.968 1.938 1.995 . 0 0 "[ . 1 . ]" 1
98 1 7 TYR QD 1 33 MET ME . . 5.600 4.118 3.564 4.620 . 0 0 "[ . 1 . ]" 1
99 1 7 TYR QD 1 33 MET QG . . 7.000 2.776 2.395 3.004 . 0 0 "[ . 1 . ]" 1
100 1 7 TYR QD 1 34 VAL H . . 6.000 3.695 3.496 3.877 . 0 0 "[ . 1 . ]" 1
101 1 7 TYR QD 1 34 VAL HA . . 6.000 3.754 3.576 3.877 . 0 0 "[ . 1 . ]" 1
102 1 7 TYR QD 1 35 LYS H . . 5.800 4.485 4.367 4.577 . 0 0 "[ . 1 . ]" 1
103 1 7 TYR QD 1 35 LYS HA . . 5.200 3.556 3.457 3.630 . 0 0 "[ . 1 . ]" 1
104 1 7 TYR QD 1 35 LYS QG . . 7.000 4.108 3.080 5.264 . 0 0 "[ . 1 . ]" 1
105 1 7 TYR QE 1 26 LEU MD1 . . 7.000 3.507 3.309 3.852 . 0 0 "[ . 1 . ]" 1
106 1 7 TYR QE 1 33 MET QB . . 4.100 3.691 3.502 3.841 . 0 0 "[ . 1 . ]" 1
107 1 7 TYR QE 1 34 VAL HA . . 6.000 3.979 3.530 4.219 . 0 0 "[ . 1 . ]" 1
108 1 7 TYR QE 1 35 LYS H . . 4.500 4.432 4.142 4.501 0.001 3 0 "[ . 1 . ]" 1
109 1 7 TYR QE 1 35 LYS HA . . 5.600 4.174 3.993 4.305 . 0 0 "[ . 1 . ]" 1
110 1 7 TYR QE 1 35 LYS QE . . 7.000 3.644 2.006 5.313 . 0 0 "[ . 1 . ]" 1
111 1 7 TYR QE 1 35 LYS QG . . 5.300 3.785 2.525 4.493 . 0 0 "[ . 1 . ]" 1
112 1 7 TYR N 1 16 VAL O . . 3.000 2.777 2.730 2.864 . 0 0 "[ . 1 . ]" 1
113 1 7 TYR O 1 16 VAL H . . 2.000 1.941 1.805 2.008 0.008 18 0 "[ . 1 . ]" 1
114 1 7 TYR O 1 16 VAL N . . 3.000 2.878 2.758 2.941 . 0 0 "[ . 1 . ]" 1
115 1 8 LYS H 1 34 VAL H . . 3.300 3.368 3.320 3.421 0.121 15 0 "[ . 1 . ]" 1
116 1 8 LYS H 1 34 VAL O . . 2.000 1.941 1.877 2.025 0.025 3 0 "[ . 1 . ]" 1
117 1 8 LYS HA 1 8 LYS QD . . 4.800 3.343 2.474 3.757 . 0 0 "[ . 1 . ]" 1
118 1 8 LYS HA 1 9 CYS H . . 3.000 2.218 2.200 2.238 . 0 0 "[ . 1 . ]" 1
119 1 8 LYS HA 1 15 VAL HA . . 4.300 2.326 2.164 2.532 . 0 0 "[ . 1 . ]" 1
120 1 8 LYS HA 1 15 VAL QG . . 5.000 2.679 2.325 2.913 . 0 0 "[ . 1 . ]" 1
121 1 8 LYS QB 1 9 CYS H . . 5.000 3.738 3.639 3.809 . 0 0 "[ . 1 . ]" 1
122 1 8 LYS QB 1 9 CYS HA . . 7.000 5.011 4.903 5.110 . 0 0 "[ . 1 . ]" 1
123 1 8 LYS QB 1 15 VAL HA . . 7.000 3.241 2.875 3.412 . 0 0 "[ . 1 . ]" 1
124 1 8 LYS QB 1 15 VAL QG . . 5.800 2.039 1.887 2.350 . 0 0 "[ . 1 . ]" 1
125 1 8 LYS QB 1 36 GLN HE21 . . 7.000 3.181 2.915 3.491 . 0 0 "[ . 1 . ]" 1
126 1 8 LYS QB 1 36 GLN HE22 . . 7.000 3.179 2.906 3.541 . 0 0 "[ . 1 . ]" 1
127 1 8 LYS QD 1 9 CYS H . . 7.000 3.179 1.917 3.679 . 0 0 "[ . 1 . ]" 1
128 1 8 LYS QD 1 15 VAL HA . . 7.000 4.649 3.246 5.500 . 0 0 "[ . 1 . ]" 1
129 1 8 LYS QD 1 36 GLN HE21 . . 7.000 4.990 4.122 6.111 . 0 0 "[ . 1 . ]" 1
130 1 8 LYS QD 1 36 GLN HG2 . . 6.400 5.058 4.683 5.699 . 0 0 "[ . 1 . ]" 1
131 1 8 LYS QD 1 36 GLN HG3 . . 7.000 4.756 3.826 5.245 . 0 0 "[ . 1 . ]" 1
132 1 8 LYS HD2 1 9 CYS H . . 4.800 3.553 1.946 4.276 . 0 0 "[ . 1 . ]" 1
133 1 8 LYS HD2 1 13 GLY H . . 6.000 5.296 3.592 6.015 0.015 9 0 "[ . 1 . ]" 1
134 1 8 LYS QE 1 10 GLU HA . . 7.000 4.416 3.633 5.232 . 0 0 "[ . 1 . ]" 1
135 1 8 LYS QE 1 13 GLY H . . 7.000 5.658 4.263 6.292 . 0 0 "[ . 1 . ]" 1
136 1 8 LYS QE 1 13 GLY HA2 . . 6.200 3.640 2.023 4.413 . 0 0 "[ . 1 . ]" 1
137 1 8 LYS QE 1 13 GLY HA3 . . 7.000 4.356 2.354 5.434 . 0 0 "[ . 1 . ]" 1
138 1 8 LYS QE 1 15 VAL QG . . 9.400 3.380 2.608 4.198 . 0 0 "[ . 1 . ]" 1
139 1 8 LYS QE 1 36 GLN HE22 . . 7.000 4.561 3.283 6.084 . 0 0 "[ . 1 . ]" 1
140 1 8 LYS QG 1 9 CYS H . . 6.700 2.533 2.285 3.207 . 0 0 "[ . 1 . ]" 1
141 1 8 LYS QG 1 9 CYS HA . . 7.000 4.227 3.827 4.585 . 0 0 "[ . 1 . ]" 1
142 1 8 LYS N 1 34 VAL O . . 3.000 2.775 2.720 2.852 . 0 0 "[ . 1 . ]" 1
143 1 8 LYS O 1 34 VAL H . . 2.000 2.033 1.997 2.068 0.068 2 0 "[ . 1 . ]" 1
144 1 8 LYS O 1 34 VAL N . . 3.000 2.975 2.919 3.016 0.016 6 0 "[ . 1 . ]" 1
145 1 9 CYS H 1 9 CYS HB2 . . 4.000 2.617 2.571 2.716 . 0 0 "[ . 1 . ]" 1
146 1 9 CYS H 1 9 CYS HB3 . . 3.800 2.471 2.366 2.507 . 0 0 "[ . 1 . ]" 1
147 1 9 CYS H 1 14 GLN H . . 4.000 2.909 2.767 3.097 . 0 0 "[ . 1 . ]" 1
148 1 9 CYS H 1 14 GLN O . . 2.000 2.076 2.053 2.120 0.120 16 0 "[ . 1 . ]" 1
149 1 9 CYS HA 1 33 MET QB . . 6.000 3.932 3.854 4.035 . 0 0 "[ . 1 . ]" 1
150 1 9 CYS HB2 1 10 GLU H . . 5.200 4.171 3.994 4.332 . 0 0 "[ . 1 . ]" 1
151 1 9 CYS HB2 1 13 GLY H . . 3.600 3.723 3.706 3.760 0.160 6 0 "[ . 1 . ]" 1
152 1 9 CYS HB2 1 14 GLN H . . 6.000 3.092 3.020 3.208 . 0 0 "[ . 1 . ]" 1
153 1 9 CYS HB2 1 33 MET QG . . 3.700 2.959 2.595 3.191 . 0 0 "[ . 1 . ]" 1
154 1 9 CYS HB3 1 10 GLU H . . 6.000 4.061 3.935 4.215 . 0 0 "[ . 1 . ]" 1
155 1 9 CYS HB3 1 13 GLY H . . 2.800 1.995 1.980 2.020 . 0 0 "[ . 1 . ]" 1
156 1 9 CYS HB3 1 14 GLN H . . 5.500 1.916 1.854 1.939 . 0 0 "[ . 1 . ]" 1
157 1 9 CYS HB3 1 14 GLN HB2 . . 4.400 3.965 3.584 4.143 . 0 0 "[ . 1 . ]" 1
158 1 9 CYS HB3 1 33 MET QB . . 6.000 5.761 5.734 5.791 . 0 0 "[ . 1 . ]" 1
159 1 9 CYS HB3 1 33 MET QG . . 5.300 4.092 3.900 4.230 . 0 0 "[ . 1 . ]" 1
160 1 9 CYS N 1 14 GLN O . . 3.000 2.929 2.902 2.984 . 0 0 "[ . 1 . ]" 1
161 1 9 CYS SG 1 12 CYS H . . 2.900 2.869 2.775 2.909 0.009 6 0 "[ . 1 . ]" 1
162 1 9 CYS SG 1 12 CYS N . . 3.800 3.824 3.687 3.889 0.089 6 0 "[ . 1 . ]" 1
163 1 9 CYS SG 1 12 CYS SG . . 4.000 3.760 3.668 3.859 . 0 0 "[ . 1 . ]" 1
164 1 9 CYS SG 1 28 CYS SG . . 4.000 4.044 3.994 4.082 0.082 14 0 "[ . 1 . ]" 1
165 1 9 CYS SG 1 29 CYS SG . . 4.000 4.093 4.064 4.119 0.119 11 0 "[ . 1 . ]" 1
166 1 10 GLU H 1 10 GLU QB . . 3.700 2.239 2.156 2.360 . 0 0 "[ . 1 . ]" 1
167 1 10 GLU H 1 10 GLU HG2 . . 3.400 3.317 3.102 3.410 0.010 13 0 "[ . 1 . ]" 1
168 1 10 GLU H 1 10 GLU HG3 . . 3.900 3.713 3.400 3.905 0.005 17 0 "[ . 1 . ]" 1
169 1 10 GLU H 1 11 LEU H . . 4.000 2.899 2.776 3.143 . 0 0 "[ . 1 . ]" 1
170 1 10 GLU H 1 34 VAL MG1 . . 7.000 3.295 2.793 3.649 . 0 0 "[ . 1 . ]" 1
171 1 10 GLU HA 1 10 GLU HG2 . . 3.200 2.249 2.127 2.405 . 0 0 "[ . 1 . ]" 1
172 1 10 GLU HG2 1 11 LEU H . . 6.000 4.841 4.757 4.905 . 0 0 "[ . 1 . ]" 1
173 1 10 GLU HG2 1 34 VAL MG1 . . 6.400 2.565 2.057 2.999 . 0 0 "[ . 1 . ]" 1
174 1 10 GLU HG2 1 34 VAL MG2 . . 3.800 2.771 2.421 3.008 . 0 0 "[ . 1 . ]" 1
175 1 10 GLU HG3 1 34 VAL MG1 . . 4.900 1.837 1.768 1.945 . 0 0 "[ . 1 . ]" 1
176 1 11 LEU H 1 11 LEU HG . . 4.300 4.228 4.072 4.306 0.006 10 0 "[ . 1 . ]" 1
177 1 11 LEU H 1 12 CYS H . . 4.900 2.316 2.220 2.436 . 0 0 "[ . 1 . ]" 1
178 1 11 LEU H 1 13 GLY H . . 3.400 2.954 2.842 3.050 . 0 0 "[ . 1 . ]" 1
179 1 11 LEU HA 1 11 LEU HG . . 3.300 2.123 2.070 2.602 . 0 0 "[ . 1 . ]" 1
180 1 11 LEU QB 1 12 CYS H . . 6.500 2.362 2.251 2.440 . 0 0 "[ . 1 . ]" 1
181 1 11 LEU QB 1 13 GLY H . . 4.700 4.245 4.181 4.298 . 0 0 "[ . 1 . ]" 1
182 1 11 LEU QB 1 29 CYS HB2 . . 7.000 2.221 2.039 2.600 . 0 0 "[ . 1 . ]" 1
183 1 11 LEU QB 1 29 CYS HB3 . . 5.700 2.506 2.357 2.801 . 0 0 "[ . 1 . ]" 1
184 1 11 LEU QD 1 29 CYS HA . . 8.400 3.526 3.417 3.783 . 0 0 "[ . 1 . ]" 1
185 1 11 LEU QD 1 29 CYS HB2 . . 8.400 2.073 1.947 2.260 . 0 0 "[ . 1 . ]" 1
186 1 11 LEU QD 1 29 CYS HB3 . . 6.000 1.783 1.738 1.848 . 0 0 "[ . 1 . ]" 1
187 1 11 LEU HG 1 12 CYS H . . 6.000 4.818 4.751 4.862 . 0 0 "[ . 1 . ]" 1
188 1 11 LEU HG 1 29 CYS HB3 . . 4.300 3.901 3.744 4.300 0.000 6 0 "[ . 1 . ]" 1
189 1 12 CYS H 1 13 GLY H . . 3.700 2.305 2.161 2.434 . 0 0 "[ . 1 . ]" 1
190 1 12 CYS HB2 2 23 GLY H . . 6.000 2.663 1.945 4.887 . 0 0 "[ . 1 . ]" 1
191 1 12 CYS HB2 2 24 GLY H . . 6.000 4.736 4.477 5.632 . 0 0 "[ . 1 . ]" 1
192 1 12 CYS HB3 2 23 GLY H . . 5.600 3.374 2.584 5.669 0.069 10 0 "[ . 1 . ]" 1
193 1 12 CYS HB3 2 24 GLY H . . 5.900 4.754 4.472 5.655 . 0 0 "[ . 1 . ]" 1
194 1 12 CYS SG 1 14 GLN H . . 2.900 2.698 2.619 2.757 . 0 0 "[ . 1 . ]" 1
195 1 12 CYS SG 1 14 GLN N . . 3.800 3.495 3.452 3.528 . 0 0 "[ . 1 . ]" 1
196 1 12 CYS SG 1 28 CYS SG . . 4.000 4.030 4.003 4.051 0.051 13 0 "[ . 1 . ]" 1
197 1 12 CYS SG 1 29 CYS SG . . 4.000 4.040 4.001 4.083 0.083 1 0 "[ . 1 . ]" 1
198 1 13 GLY H 1 14 GLN H . . 3.600 1.929 1.862 2.017 . 0 0 "[ . 1 . ]" 1
199 1 13 GLY H 1 14 GLN HE21 . . 6.000 5.803 5.368 6.013 0.013 13 0 "[ . 1 . ]" 1
200 1 14 GLN H 1 14 GLN HB2 . . 2.700 2.634 2.380 2.720 0.020 17 0 "[ . 1 . ]" 1
201 1 14 GLN H 1 14 GLN HE21 . . 6.000 4.368 3.951 4.621 . 0 0 "[ . 1 . ]" 1
202 1 14 GLN H 1 14 GLN HE22 . . 6.000 5.788 5.560 5.959 . 0 0 "[ . 1 . ]" 1
203 1 14 GLN HA 1 14 GLN HB2 . . 2.400 2.447 2.416 2.550 0.150 9 0 "[ . 1 . ]" 1
204 1 14 GLN HA 1 15 VAL QG . . 8.400 3.513 3.292 3.827 . 0 0 "[ . 1 . ]" 1
205 1 14 GLN HB2 1 14 GLN HE21 . . 3.400 2.430 1.911 2.939 . 0 0 "[ . 1 . ]" 1
206 1 14 GLN HB2 1 14 GLN HE22 . . 3.800 3.573 3.301 3.765 . 0 0 "[ . 1 . ]" 1
207 1 14 GLN HE21 1 33 MET QG . . 7.000 6.078 5.656 6.302 . 0 0 "[ . 1 . ]" 1
208 1 14 GLN HE21 2 1 ALA MB . . 7.000 4.940 4.325 5.416 . 0 0 "[ . 1 . ]" 1
209 1 14 GLN HE21 2 25 THR HA . . 6.000 4.563 3.900 5.069 . 0 0 "[ . 1 . ]" 1
210 1 14 GLN HE21 2 26 LEU QB . . 7.000 5.651 5.114 6.297 . 0 0 "[ . 1 . ]" 1
211 1 14 GLN HE21 2 26 LEU MD1 . . 7.000 4.580 4.110 5.103 . 0 0 "[ . 1 . ]" 1
212 1 14 GLN HE21 2 26 LEU MD2 . . 4.700 2.701 2.118 3.387 . 0 0 "[ . 1 . ]" 1
213 1 14 GLN HE21 2 26 LEU HG . . 6.000 4.180 3.673 4.822 . 0 0 "[ . 1 . ]" 1
214 1 14 GLN HE22 2 1 ALA MB . . 7.000 3.959 3.029 5.238 . 0 0 "[ . 1 . ]" 1
215 1 14 GLN HE22 2 24 GLY H . . 6.000 3.540 2.945 4.274 . 0 0 "[ . 1 . ]" 1
216 1 14 GLN HE22 2 26 LEU H . . 6.000 4.739 4.306 5.380 . 0 0 "[ . 1 . ]" 1
217 1 14 GLN HE22 2 26 LEU QB . . 6.700 5.260 4.576 5.999 . 0 0 "[ . 1 . ]" 1
218 1 14 GLN HE22 2 26 LEU MD1 . . 7.000 4.044 3.656 4.521 . 0 0 "[ . 1 . ]" 1
219 1 14 GLN HE22 2 26 LEU MD2 . . 5.600 2.705 1.916 3.416 . 0 0 "[ . 1 . ]" 1
220 1 14 GLN HE22 2 26 LEU HG . . 6.000 3.367 2.627 4.155 . 0 0 "[ . 1 . ]" 1
221 1 14 GLN QG 1 15 VAL H . . 7.000 2.726 2.476 3.044 . 0 0 "[ . 1 . ]" 1
222 1 15 VAL H 1 15 VAL HB . . 3.000 2.520 2.389 2.641 . 0 0 "[ . 1 . ]" 1
223 1 15 VAL H 1 16 VAL H . . 5.800 4.372 4.264 4.445 . 0 0 "[ . 1 . ]" 1
224 1 15 VAL H 1 16 VAL MG2 . . 7.000 5.669 5.526 5.796 . 0 0 "[ . 1 . ]" 1
225 1 15 VAL H 2 20 GLU H . . 3.500 2.998 2.787 3.389 . 0 0 "[ . 1 . ]" 1
226 1 15 VAL H 2 20 GLU HG3 . . 5.600 4.460 2.659 5.176 . 0 0 "[ . 1 . ]" 1
227 1 15 VAL H 2 20 GLU O . . 2.000 2.006 1.892 2.050 0.050 12 0 "[ . 1 . ]" 1
228 1 15 VAL HA 1 16 VAL H . . 3.200 2.190 2.183 2.207 . 0 0 "[ . 1 . ]" 1
229 1 15 VAL HA 1 16 VAL MG2 . . 7.000 4.167 4.034 4.324 . 0 0 "[ . 1 . ]" 1
230 1 15 VAL HB 2 20 GLU H . . 4.600 2.902 2.501 3.487 . 0 0 "[ . 1 . ]" 1
231 1 15 VAL QG 1 16 VAL HA . . 7.700 3.694 3.442 3.933 . 0 0 "[ . 1 . ]" 1
232 1 15 VAL QG 2 20 GLU H . . 8.400 3.531 3.195 4.039 . 0 0 "[ . 1 . ]" 1
233 1 15 VAL QG 2 20 GLU HA . . 8.400 4.753 4.390 5.124 . 0 0 "[ . 1 . ]" 1
234 1 15 VAL N 2 20 GLU O . . 3.000 2.908 2.771 3.038 0.038 12 0 "[ . 1 . ]" 1
235 1 15 VAL O 2 19 LEU H . . 2.000 1.953 1.828 2.103 0.103 15 0 "[ . 1 . ]" 1
236 1 15 VAL O 2 19 LEU N . . 3.000 2.843 2.747 3.024 0.024 15 0 "[ . 1 . ]" 1
237 1 15 VAL O 2 20 GLU H . . 2.000 1.888 1.772 2.165 0.165 13 0 "[ . 1 . ]" 1
238 1 15 VAL O 2 20 GLU N . . 3.000 2.847 2.750 3.105 0.105 15 0 "[ . 1 . ]" 1
239 1 16 VAL H 1 16 VAL MG2 . . 4.300 2.445 2.312 2.605 . 0 0 "[ . 1 . ]" 1
240 1 16 VAL HA 1 16 VAL HB . . 2.400 2.309 2.276 2.340 . 0 0 "[ . 1 . ]" 1
241 1 16 VAL HA 1 17 LYS H . . 3.100 2.291 2.225 2.514 . 0 0 "[ . 1 . ]" 1
242 1 16 VAL HA 1 26 LEU MD1 . . 7.000 5.846 5.818 5.894 . 0 0 "[ . 1 . ]" 1
243 1 16 VAL HA 2 18 VAL HA . . 3.400 2.293 1.967 2.597 . 0 0 "[ . 1 . ]" 1
244 1 16 VAL HA 2 19 LEU H . . 2.700 2.134 1.916 2.586 . 0 0 "[ . 1 . ]" 1
245 1 16 VAL HB 1 17 LYS H . . 3.200 3.065 2.574 3.242 0.042 5 0 "[ . 1 . ]" 1
246 1 16 VAL HB 1 26 LEU MD1 . . 7.000 4.556 4.461 4.659 . 0 0 "[ . 1 . ]" 1
247 1 16 VAL HB 2 18 VAL HA . . 2.400 2.460 2.413 2.587 0.187 12 0 "[ . 1 . ]" 1
248 1 16 VAL MG2 1 26 LEU MD1 . . 4.400 2.278 2.193 2.336 . 0 0 "[ . 1 . ]" 1
249 1 17 LYS H 1 17 LYS QD . . 6.000 4.143 3.803 4.457 . 0 0 "[ . 1 . ]" 1
250 1 17 LYS H 1 18 VAL HA . . 5.100 4.967 4.643 5.100 . 15 0 "[ . 1 . ]" 1
251 1 17 LYS H 2 17 LYS O . . 2.000 1.831 1.769 2.004 0.004 16 0 "[ . 1 . ]" 1
252 1 17 LYS HA 1 18 VAL H . . 2.800 2.179 2.176 2.187 . 0 0 "[ . 1 . ]" 1
253 1 17 LYS QB 1 18 VAL H . . 4.400 3.863 3.653 3.968 . 0 0 "[ . 1 . ]" 1
254 1 17 LYS QB 1 18 VAL HB . . 7.000 5.737 5.582 5.830 . 0 0 "[ . 1 . ]" 1
255 1 17 LYS QD 1 18 VAL HA . . 4.700 3.942 3.749 4.278 . 0 0 "[ . 1 . ]" 1
256 1 17 LYS QG 1 18 VAL H . . 6.600 3.249 2.749 3.937 . 0 0 "[ . 1 . ]" 1
257 1 17 LYS N 2 17 LYS O . . 3.000 2.780 2.713 2.983 . 0 0 "[ . 1 . ]" 1
258 1 17 LYS O 2 17 LYS H . . 2.000 1.841 1.771 1.929 . 0 0 "[ . 1 . ]" 1
259 1 17 LYS O 2 17 LYS N . . 3.000 2.780 2.726 2.847 . 0 0 "[ . 1 . ]" 1
260 1 18 VAL H 1 18 VAL HB . . 2.800 2.324 2.199 2.436 . 0 0 "[ . 1 . ]" 1
261 1 18 VAL H 1 19 LEU H . . 4.500 4.519 4.426 4.563 0.063 18 0 "[ . 1 . ]" 1
262 1 18 VAL HA 1 18 VAL HB . . 3.000 3.020 3.006 3.025 0.025 1 0 "[ . 1 . ]" 1
263 1 18 VAL HA 1 19 LEU H . . 3.300 2.186 2.182 2.193 . 0 0 "[ . 1 . ]" 1
264 1 18 VAL HA 2 16 VAL HA . . 3.400 2.327 2.023 2.664 . 0 0 "[ . 1 . ]" 1
265 1 18 VAL HA 2 16 VAL HB . . 2.400 2.479 2.425 2.540 0.140 9 0 "[ . 1 . ]" 1
266 1 18 VAL MG1 1 19 LEU HA . . 7.000 3.913 3.666 4.233 . 0 0 "[ . 1 . ]" 1
267 1 18 VAL MG1 1 20 GLU H . . 7.000 2.901 2.362 3.438 . 0 0 "[ . 1 . ]" 1
268 1 18 VAL MG1 1 20 GLU HA . . 7.000 3.774 3.463 4.158 . 0 0 "[ . 1 . ]" 1
269 1 18 VAL MG1 1 21 GLU HA . . 3.600 2.516 2.163 2.819 . 0 0 "[ . 1 . ]" 1
270 1 18 VAL MG1 1 22 GLY H . . 7.000 4.271 3.928 4.608 . 0 0 "[ . 1 . ]" 1
271 1 18 VAL MG2 1 26 LEU MD1 . . 4.400 2.672 2.473 2.952 . 0 0 "[ . 1 . ]" 1
272 1 19 LEU H 1 19 LEU HG . . 3.900 3.067 2.055 4.039 0.139 5 0 "[ . 1 . ]" 1
273 1 19 LEU H 1 20 GLU H . . 4.300 2.267 1.934 2.625 . 0 0 "[ . 1 . ]" 1
274 1 19 LEU H 2 15 VAL O . . 2.000 1.988 1.848 2.112 0.112 4 0 "[ . 1 . ]" 1
275 1 19 LEU H 2 16 VAL HA . . 2.700 2.120 1.944 2.331 . 0 0 "[ . 1 . ]" 1
276 1 19 LEU HA 1 20 GLU QB . . 7.000 4.934 4.688 5.332 . 0 0 "[ . 1 . ]" 1
277 1 19 LEU QB 1 20 GLU H . . 6.600 3.069 2.432 3.628 . 0 0 "[ . 1 . ]" 1
278 1 19 LEU N 2 15 VAL O . . 3.000 2.883 2.759 3.015 0.015 4 0 "[ . 1 . ]" 1
279 1 20 GLU H 1 20 GLU HG3 . . 5.500 3.686 2.554 4.571 . 0 0 "[ . 1 . ]" 1
280 1 20 GLU H 2 15 VAL H . . 3.500 3.042 2.791 3.341 . 0 0 "[ . 1 . ]" 1
281 1 20 GLU H 2 15 VAL HB . . 4.600 2.951 2.594 3.314 . 0 0 "[ . 1 . ]" 1
282 1 20 GLU H 2 15 VAL QG . . 8.400 3.612 3.172 3.933 . 0 0 "[ . 1 . ]" 1
283 1 20 GLU H 2 15 VAL O . . 2.000 1.962 1.783 2.126 0.126 4 0 "[ . 1 . ]" 1
284 1 20 GLU HA 1 21 GLU H . . 3.300 2.240 2.202 2.294 . 0 0 "[ . 1 . ]" 1
285 1 20 GLU HA 1 21 GLU QG . . 7.000 4.806 3.770 5.870 . 0 0 "[ . 1 . ]" 1
286 1 20 GLU HA 2 15 VAL QG . . 8.400 4.918 4.588 5.286 . 0 0 "[ . 1 . ]" 1
287 1 20 GLU HG3 2 15 VAL H . . 5.600 3.805 2.046 5.511 . 0 0 "[ . 1 . ]" 1
288 1 20 GLU N 2 15 VAL O . . 3.000 2.937 2.759 3.116 0.116 4 0 "[ . 1 . ]" 1
289 1 20 GLU O 2 15 VAL H . . 2.000 2.004 1.799 2.106 0.106 2 0 "[ . 1 . ]" 1
290 1 20 GLU O 2 15 VAL N . . 3.000 2.939 2.752 3.062 0.062 2 0 "[ . 1 . ]" 1
291 1 21 GLU H 1 21 GLU QB . . 3.600 2.253 2.116 2.457 . 0 0 "[ . 1 . ]" 1
292 1 21 GLU H 1 21 GLU QG . . 4.900 3.129 2.141 3.955 . 0 0 "[ . 1 . ]" 1
293 1 21 GLU H 1 22 GLY H . . 4.800 4.667 4.658 4.673 . 0 0 "[ . 1 . ]" 1
294 1 21 GLU HA 1 22 GLY H . . 2.500 2.446 2.342 2.519 0.019 10 0 "[ . 1 . ]" 1
295 1 21 GLU QB 1 22 GLY H . . 4.300 2.945 2.450 3.572 . 0 0 "[ . 1 . ]" 1
296 1 21 GLU QG 1 22 GLY H . . 6.400 2.812 1.845 3.968 . 0 0 "[ . 1 . ]" 1
297 1 22 GLY H 1 23 GLY H . . 6.000 2.874 2.247 4.358 . 0 0 "[ . 1 . ]" 1
298 1 22 GLY H 1 24 GLY H . . 4.000 3.954 3.696 4.055 0.055 1 0 "[ . 1 . ]" 1
299 1 23 GLY H 1 24 GLY H . . 4.200 2.307 1.879 3.636 . 0 0 "[ . 1 . ]" 1
300 1 23 GLY H 2 12 CYS HB2 . . 6.000 2.821 2.107 4.168 . 0 0 "[ . 1 . ]" 1
301 1 23 GLY H 2 12 CYS HB3 . . 5.600 3.572 2.834 4.865 . 0 0 "[ . 1 . ]" 1
302 1 24 GLY H 1 24 GLY HA3 . . 2.700 2.659 2.312 2.754 0.054 17 0 "[ . 1 . ]" 1
303 1 24 GLY H 1 25 THR H . . 4.600 4.356 4.324 4.408 . 0 0 "[ . 1 . ]" 1
304 1 24 GLY H 2 12 CYS HB2 . . 6.000 4.532 3.235 5.521 . 0 0 "[ . 1 . ]" 1
305 1 24 GLY H 2 12 CYS HB3 . . 5.900 4.599 3.183 5.542 . 0 0 "[ . 1 . ]" 1
306 1 24 GLY H 2 14 GLN HE22 . . 6.000 3.182 2.752 3.570 . 0 0 "[ . 1 . ]" 1
307 1 25 THR H 1 25 THR HB . . 2.500 2.532 2.468 2.704 0.204 7 0 "[ . 1 . ]" 1
308 1 25 THR H 1 26 LEU H . . 5.300 4.482 4.443 4.519 . 0 0 "[ . 1 . ]" 1
309 1 25 THR H 2 28 CYS HA . . 3.200 3.200 3.099 3.298 0.098 7 0 "[ . 1 . ]" 1
310 1 25 THR H 2 29 CYS H . . 2.900 2.952 2.635 2.999 0.099 9 0 "[ . 1 . ]" 1
311 1 25 THR HA 1 26 LEU H . . 2.500 2.392 2.253 2.544 0.044 8 0 "[ . 1 . ]" 1
312 1 25 THR HA 1 26 LEU QB . . 5.300 4.596 4.536 4.639 . 0 0 "[ . 1 . ]" 1
313 1 25 THR HA 1 26 LEU HG . . 5.000 3.194 3.066 3.353 . 0 0 "[ . 1 . ]" 1
314 1 25 THR HA 2 14 GLN HE21 . . 6.000 4.525 4.080 5.010 . 0 0 "[ . 1 . ]" 1
315 1 25 THR HB 1 26 LEU H . . 4.900 4.005 3.753 4.253 . 0 0 "[ . 1 . ]" 1
316 1 25 THR HB 1 27 VAL MG2 . . 7.000 3.212 2.771 4.017 . 0 0 "[ . 1 . ]" 1
317 1 25 THR MG 1 27 VAL MG2 . . 4.400 2.088 1.683 2.373 . 0 0 "[ . 1 . ]" 1
318 1 25 THR MG 2 28 CYS HA . . 7.000 4.432 3.177 5.112 . 0 0 "[ . 1 . ]" 1
319 1 26 LEU H 1 26 LEU QB . . 3.700 2.646 2.551 2.735 . 0 0 "[ . 1 . ]" 1
320 1 26 LEU H 1 26 LEU HG . . 2.800 2.281 1.931 2.570 . 0 0 "[ . 1 . ]" 1
321 1 26 LEU H 1 27 VAL H . . 6.000 3.809 3.617 4.151 . 0 0 "[ . 1 . ]" 1
322 1 26 LEU H 2 14 GLN HE22 . . 6.000 4.824 4.436 5.448 . 0 0 "[ . 1 . ]" 1
323 1 26 LEU HA 1 26 LEU MD2 . . 4.100 2.464 2.235 2.658 . 0 0 "[ . 1 . ]" 1
324 1 26 LEU HA 1 26 LEU HG . . 3.200 3.132 3.060 3.183 . 0 0 "[ . 1 . ]" 1
325 1 26 LEU QB 2 14 GLN HE21 . . 7.000 5.541 5.157 6.066 . 0 0 "[ . 1 . ]" 1
326 1 26 LEU QB 2 14 GLN HE22 . . 6.700 5.503 4.951 5.952 . 0 0 "[ . 1 . ]" 1
327 1 26 LEU MD1 1 33 MET QB . . 7.000 2.982 2.800 3.139 . 0 0 "[ . 1 . ]" 1
328 1 26 LEU MD1 1 33 MET QG . . 8.000 3.851 3.624 4.116 . 0 0 "[ . 1 . ]" 1
329 1 26 LEU MD1 2 14 GLN HE21 . . 7.000 4.485 4.162 4.876 . 0 0 "[ . 1 . ]" 1
330 1 26 LEU MD1 2 14 GLN HE22 . . 7.000 4.188 3.715 4.635 . 0 0 "[ . 1 . ]" 1
331 1 26 LEU MD2 1 27 VAL H . . 7.000 4.476 4.275 4.589 . 0 0 "[ . 1 . ]" 1
332 1 26 LEU MD2 2 14 GLN HE21 . . 4.700 2.662 2.240 3.062 . 0 0 "[ . 1 . ]" 1
333 1 26 LEU MD2 2 14 GLN HE22 . . 5.600 3.166 2.606 3.659 . 0 0 "[ . 1 . ]" 1
334 1 26 LEU MD2 2 28 CYS HA . . 7.000 4.297 3.886 4.486 . 0 0 "[ . 1 . ]" 1
335 1 26 LEU MD2 2 28 CYS HB2 . . 7.000 2.574 2.395 2.722 . 0 0 "[ . 1 . ]" 1
336 1 26 LEU MD2 2 28 CYS HB3 . . 7.000 3.843 3.733 3.935 . 0 0 "[ . 1 . ]" 1
337 1 26 LEU MD2 2 28 CYS SG . . 4.500 3.502 3.424 3.638 . 0 0 "[ . 1 . ]" 1
338 1 26 LEU HG 1 27 VAL H . . 5.000 5.099 5.065 5.167 0.167 6 0 "[ . 1 . ]" 1
339 1 26 LEU HG 1 33 MET H . . 6.000 5.465 5.322 5.666 . 0 0 "[ . 1 . ]" 1
340 1 26 LEU HG 1 33 MET QB . . 4.700 4.136 4.012 4.243 . 0 0 "[ . 1 . ]" 1
341 1 26 LEU HG 2 14 GLN HE21 . . 6.000 4.011 3.669 4.498 . 0 0 "[ . 1 . ]" 1
342 1 26 LEU HG 2 14 GLN HE22 . . 6.000 3.545 2.964 4.074 . 0 0 "[ . 1 . ]" 1
343 1 26 LEU HG 2 28 CYS HB2 . . 4.500 4.581 4.553 4.627 0.127 2 0 "[ . 1 . ]" 1
344 1 26 LEU O 1 33 MET H . . 2.000 2.001 1.850 2.034 0.034 3 0 "[ . 1 . ]" 1
345 1 26 LEU O 1 33 MET N . . 3.000 2.982 2.837 3.016 0.016 6 0 "[ . 1 . ]" 1
346 1 27 VAL H 1 27 VAL HB . . 2.800 2.366 2.278 2.452 . 0 0 "[ . 1 . ]" 1
347 1 27 VAL H 1 28 CYS H . . 5.900 4.372 4.344 4.390 . 0 0 "[ . 1 . ]" 1
348 1 27 VAL H 2 27 VAL O . . 2.000 1.853 1.795 1.927 . 0 0 "[ . 1 . ]" 1
349 1 27 VAL HA 1 27 VAL HB . . 2.900 3.024 3.019 3.026 0.126 15 0 "[ . 1 . ]" 1
350 1 27 VAL HA 1 28 CYS HA . . 5.400 4.362 4.358 4.367 . 0 0 "[ . 1 . ]" 1
351 1 27 VAL HA 1 28 CYS HB2 . . 6.000 4.576 4.519 4.657 . 0 0 "[ . 1 . ]" 1
352 1 27 VAL HA 1 33 MET H . . 3.900 2.881 2.770 3.193 . 0 0 "[ . 1 . ]" 1
353 1 27 VAL HA 1 33 MET QB . . 6.000 4.232 4.097 4.438 . 0 0 "[ . 1 . ]" 1
354 1 27 VAL HB 1 28 CYS H . . 4.900 4.497 4.459 4.532 . 0 0 "[ . 1 . ]" 1
355 1 27 VAL HB 1 28 CYS HA . . 5.800 4.903 4.827 4.989 . 0 0 "[ . 1 . ]" 1
356 1 27 VAL MG1 1 28 CYS H . . 4.000 3.128 3.030 3.277 . 0 0 "[ . 1 . ]" 1
357 1 27 VAL MG1 1 28 CYS HA . . 7.000 3.781 3.620 4.002 . 0 0 "[ . 1 . ]" 1
358 1 27 VAL MG1 1 29 CYS H . . 7.000 4.553 4.406 4.714 . 0 0 "[ . 1 . ]" 1
359 1 27 VAL MG1 1 30 GLY H . . 3.800 2.873 2.726 2.995 . 0 0 "[ . 1 . ]" 1
360 1 27 VAL MG1 1 30 GLY HA2 . . 3.400 2.455 2.390 2.501 . 0 0 "[ . 1 . ]" 1
361 1 27 VAL MG1 1 30 GLY HA3 . . 4.500 3.795 3.725 3.836 . 0 0 "[ . 1 . ]" 1
362 1 27 VAL MG1 1 31 GLU H . . 5.600 2.643 2.282 3.145 . 0 0 "[ . 1 . ]" 1
363 1 27 VAL MG1 1 31 GLU HA . . 7.000 3.356 3.077 3.864 . 0 0 "[ . 1 . ]" 1
364 1 27 VAL MG1 1 33 MET H . . 7.000 4.724 4.522 5.053 . 0 0 "[ . 1 . ]" 1
365 1 27 VAL MG2 1 28 CYS H . . 7.000 4.196 4.096 4.277 . 0 0 "[ . 1 . ]" 1
366 1 27 VAL MG2 1 30 GLY H . . 7.000 5.542 5.354 5.613 . 0 0 "[ . 1 . ]" 1
367 1 27 VAL MG2 1 32 ASP H . . 7.000 3.696 3.364 4.502 . 0 0 "[ . 1 . ]" 1
368 1 27 VAL MG2 1 33 MET H . . 7.000 4.087 3.806 4.273 . 0 0 "[ . 1 . ]" 1
369 1 27 VAL MG2 2 28 CYS HA . . 4.900 3.763 3.546 3.928 . 0 0 "[ . 1 . ]" 1
370 1 27 VAL N 2 27 VAL O . . 3.000 2.777 2.742 2.827 . 0 0 "[ . 1 . ]" 1
371 1 27 VAL O 2 27 VAL H . . 2.000 1.877 1.809 2.008 0.008 3 0 "[ . 1 . ]" 1
372 1 27 VAL O 2 27 VAL N . . 3.000 2.788 2.751 2.925 . 0 0 "[ . 1 . ]" 1
373 1 28 CYS H 1 31 GLU H . . 3.100 2.960 2.823 3.154 0.054 6 0 "[ . 1 . ]" 1
374 1 28 CYS H 1 31 GLU O . . 2.000 1.934 1.866 2.003 0.003 11 0 "[ . 1 . ]" 1
375 1 28 CYS H 1 33 MET QB . . 5.900 3.776 3.593 3.950 . 0 0 "[ . 1 . ]" 1
376 1 28 CYS HA 2 25 THR H . . 3.200 3.195 3.075 3.291 0.091 17 0 "[ . 1 . ]" 1
377 1 28 CYS HA 2 25 THR MG . . 7.000 4.360 2.861 5.036 . 0 0 "[ . 1 . ]" 1
378 1 28 CYS HA 2 26 LEU MD2 . . 7.000 4.359 4.168 4.535 . 0 0 "[ . 1 . ]" 1
379 1 28 CYS HA 2 27 VAL MG2 . . 4.900 3.743 3.474 3.967 . 0 0 "[ . 1 . ]" 1
380 1 28 CYS HB2 1 33 MET QB . . 4.300 3.901 3.621 4.112 . 0 0 "[ . 1 . ]" 1
381 1 28 CYS HB2 2 26 LEU MD2 . . 7.000 2.568 2.384 2.771 . 0 0 "[ . 1 . ]" 1
382 1 28 CYS HB2 2 26 LEU HG . . 4.500 4.575 4.524 4.606 0.106 6 0 "[ . 1 . ]" 1
383 1 28 CYS HB3 1 33 MET QB . . 5.800 3.950 3.555 4.147 . 0 0 "[ . 1 . ]" 1
384 1 28 CYS HB3 1 33 MET QG . . 7.000 4.195 3.827 4.464 . 0 0 "[ . 1 . ]" 1
385 1 28 CYS HB3 2 26 LEU MD2 . . 7.000 3.795 3.670 3.895 . 0 0 "[ . 1 . ]" 1
386 1 28 CYS N 1 31 GLU O . . 3.000 2.823 2.716 2.908 . 0 0 "[ . 1 . ]" 1
387 1 28 CYS O 1 31 GLU H . . 2.000 1.965 1.831 2.009 0.009 5 0 "[ . 1 . ]" 1
388 1 28 CYS O 1 31 GLU N . . 3.000 2.848 2.784 2.900 . 0 0 "[ . 1 . ]" 1
389 1 28 CYS SG 1 29 CYS SG . . 4.400 4.287 4.186 4.392 . 0 0 "[ . 1 . ]" 1
390 1 28 CYS SG 2 26 LEU MD2 . . 4.500 3.528 3.449 3.638 . 0 0 "[ . 1 . ]" 1
391 1 29 CYS H 1 29 CYS HA . . 2.600 2.194 2.193 2.195 . 0 0 "[ . 1 . ]" 1
392 1 29 CYS H 1 30 GLY H . . 3.500 2.568 2.526 2.626 . 0 0 "[ . 1 . ]" 1
393 1 29 CYS H 2 25 THR H . . 2.900 2.972 2.932 3.011 0.111 18 0 "[ . 1 . ]" 1
394 1 29 CYS HB3 1 30 GLY H . . 5.300 4.460 4.395 4.500 . 0 0 "[ . 1 . ]" 1
395 1 30 GLY H 1 30 GLY HA2 . . 2.900 2.258 2.248 2.288 . 0 0 "[ . 1 . ]" 1
396 1 30 GLY H 1 30 GLY HA3 . . 2.900 2.847 2.818 2.897 . 0 0 "[ . 1 . ]" 1
397 1 30 GLY H 1 31 GLU H . . 3.900 2.529 2.411 2.617 . 0 0 "[ . 1 . ]" 1
398 1 30 GLY HA3 1 31 GLU QB . . 5.400 4.372 4.323 4.504 . 0 0 "[ . 1 . ]" 1
399 1 31 GLU H 1 31 GLU HB3 . . 3.500 2.969 2.826 3.202 . 0 0 "[ . 1 . ]" 1
400 1 31 GLU H 1 31 GLU HG2 . . 5.500 4.662 4.423 4.946 . 0 0 "[ . 1 . ]" 1
401 1 31 GLU H 1 32 ASP H . . 6.000 4.262 4.144 4.516 . 0 0 "[ . 1 . ]" 1
402 1 31 GLU HB2 1 32 ASP H . . 4.600 4.403 4.080 4.533 . 0 0 "[ . 1 . ]" 1
403 1 31 GLU HG2 1 32 ASP H . . 4.000 3.112 2.514 4.002 0.002 5 0 "[ . 1 . ]" 1
404 1 32 ASP H 1 32 ASP QB . . 3.700 2.530 2.042 2.877 . 0 0 "[ . 1 . ]" 1
405 1 32 ASP H 1 34 VAL MG1 . . 7.000 5.605 5.159 5.728 . 0 0 "[ . 1 . ]" 1
406 1 32 ASP HA 1 33 MET QB . . 6.000 4.047 4.037 4.063 . 0 0 "[ . 1 . ]" 1
407 1 32 ASP HA 1 33 MET QG . . 7.000 5.714 5.615 5.766 . 0 0 "[ . 1 . ]" 1
408 1 33 MET H 1 33 MET QB . . 3.400 2.023 1.993 2.055 . 0 0 "[ . 1 . ]" 1
409 1 33 MET H 1 33 MET ME . . 6.800 3.990 3.161 5.047 . 0 0 "[ . 1 . ]" 1
410 1 33 MET H 1 34 VAL H . . 6.000 4.663 4.648 4.674 . 0 0 "[ . 1 . ]" 1
411 1 33 MET HA 1 34 VAL MG1 . . 7.000 3.207 3.112 3.329 . 0 0 "[ . 1 . ]" 1
412 1 33 MET QB 1 34 VAL H . . 5.300 3.432 3.270 3.532 . 0 0 "[ . 1 . ]" 1
413 1 33 MET QG 1 34 VAL MG1 . . 8.000 3.815 3.699 3.975 . 0 0 "[ . 1 . ]" 1
414 1 34 VAL HA 1 35 LYS H . . 2.400 2.434 2.399 2.475 0.075 8 0 "[ . 1 . ]" 1
415 1 34 VAL HB 1 35 LYS H . . 3.800 2.718 2.580 2.814 . 0 0 "[ . 1 . ]" 1
416 1 34 VAL HB 1 36 GLN HE21 . . 4.300 4.225 4.083 4.314 0.014 18 0 "[ . 1 . ]" 1
417 1 34 VAL MG1 1 35 LYS H . . 7.000 4.085 3.985 4.142 . 0 0 "[ . 1 . ]" 1
418 1 34 VAL MG1 1 36 GLN HE21 . . 7.000 4.807 4.711 4.914 . 0 0 "[ . 1 . ]" 1
419 1 34 VAL MG1 1 36 GLN HE22 . . 7.000 4.776 4.393 4.956 . 0 0 "[ . 1 . ]" 1
420 1 34 VAL MG2 1 35 LYS H . . 3.800 3.057 2.926 3.183 . 0 0 "[ . 1 . ]" 1
421 1 34 VAL MG2 1 36 GLN HE21 . . 4.200 2.068 1.911 2.298 . 0 0 "[ . 1 . ]" 1
422 1 34 VAL MG2 1 36 GLN HE22 . . 3.500 2.327 1.877 2.522 . 0 0 "[ . 1 . ]" 1
423 1 35 LYS H 1 35 LYS QB . . 3.600 2.292 2.183 2.631 . 0 0 "[ . 1 . ]" 1
424 1 35 LYS H 1 35 LYS QG . . 4.600 3.579 2.262 4.064 . 0 0 "[ . 1 . ]" 1
425 1 35 LYS HA 1 35 LYS HD3 . . 3.400 3.295 2.861 3.434 0.034 11 0 "[ . 1 . ]" 1
426 1 35 LYS HA 1 36 GLN H . . 2.400 2.344 2.296 2.395 . 0 0 "[ . 1 . ]" 1
427 1 35 LYS HA 1 36 GLN HG3 . . 4.900 4.908 4.869 4.959 0.059 4 0 "[ . 1 . ]" 1
428 1 35 LYS QG 1 36 GLN H . . 5.800 2.856 2.184 4.149 . 0 0 "[ . 1 . ]" 1
429 1 36 GLN H 1 36 GLN QB . . 3.800 2.620 2.588 2.643 . 0 0 "[ . 1 . ]" 1
430 1 36 GLN H 1 36 GLN HE22 . . 5.300 5.224 4.816 5.315 0.015 2 0 "[ . 1 . ]" 1
431 1 36 GLN H 1 36 GLN HG2 . . 3.100 2.599 2.223 2.747 . 0 0 "[ . 1 . ]" 1
432 1 36 GLN HA 1 36 GLN HE22 . . 5.600 3.334 3.266 3.463 . 0 0 "[ . 1 . ]" 1
433 1 36 GLN HA 1 36 GLN HG2 . . 3.300 2.975 2.942 3.117 . 0 0 "[ . 1 . ]" 1
434 1 36 GLN HA 1 36 GLN HG3 . . 4.000 3.828 3.803 3.880 . 0 0 "[ . 1 . ]" 1
435 1 36 GLN HE22 1 36 GLN HG2 . . 3.700 3.494 3.479 3.508 . 0 0 "[ . 1 . ]" 1
436 2 1 ALA MB 2 5 ASP H . . 7.000 5.268 3.980 5.670 . 0 0 "[ . 1 . ]" 1
437 2 1 ALA MB 2 5 ASP HB2 . . 7.000 3.574 2.670 4.151 . 0 0 "[ . 1 . ]" 1
438 2 1 ALA MB 2 7 TYR HD2 . . 5.200 4.034 3.709 4.198 . 0 0 "[ . 1 . ]" 1
439 2 1 ALA MB 2 7 TYR HE2 . . 3.400 2.043 1.782 2.296 . 0 0 "[ . 1 . ]" 1
440 2 1 ALA MB 2 26 LEU MD1 . . 6.500 4.248 3.960 4.415 . 0 0 "[ . 1 . ]" 1
441 2 2 ASN HA 2 3 GLU H . . 3.400 2.357 2.253 2.940 . 0 0 "[ . 1 . ]" 1
442 2 2 ASN HA 2 18 VAL MG1 . . 7.000 4.526 3.710 5.020 . 0 0 "[ . 1 . ]" 1
443 2 2 ASN HA 2 21 GLU QB . . 7.000 2.603 2.047 3.092 . 0 0 "[ . 1 . ]" 1
444 2 2 ASN HA 2 21 GLU QG . . 7.000 3.746 2.817 4.406 . 0 0 "[ . 1 . ]" 1
445 2 3 GLU H 2 3 GLU QB . . 3.200 2.510 2.205 2.951 . 0 0 "[ . 1 . ]" 1
446 2 3 GLU H 2 3 GLU HG2 . . 4.900 3.477 2.946 4.793 . 0 0 "[ . 1 . ]" 1
447 2 3 GLU HA 2 3 GLU HG3 . . 3.100 2.796 2.394 3.105 0.005 12 0 "[ . 1 . ]" 1
448 2 3 GLU HA 2 18 VAL HB . . 6.000 3.721 3.040 4.473 . 0 0 "[ . 1 . ]" 1
449 2 3 GLU HA 2 18 VAL MG1 . . 3.400 2.514 2.294 2.668 . 0 0 "[ . 1 . ]" 1
450 2 3 GLU HA 2 18 VAL MG2 . . 7.000 4.884 4.523 5.246 . 0 0 "[ . 1 . ]" 1
451 2 3 GLU QB 2 5 ASP H . . 5.300 4.671 4.528 4.757 . 0 0 "[ . 1 . ]" 1
452 2 4 GLY H 2 4 GLY HA2 . . 2.400 2.267 2.248 2.360 . 0 0 "[ . 1 . ]" 1
453 2 4 GLY H 2 5 ASP H . . 3.100 2.565 2.277 2.916 . 0 0 "[ . 1 . ]" 1
454 2 4 GLY H 2 17 LYS QB . . 7.000 6.176 5.474 6.310 . 0 0 "[ . 1 . ]" 1
455 2 4 GLY H 2 17 LYS QG . . 7.000 4.460 3.410 5.144 . 0 0 "[ . 1 . ]" 1
456 2 4 GLY H 2 18 VAL HB . . 4.200 4.031 3.640 4.230 0.030 16 0 "[ . 1 . ]" 1
457 2 4 GLY H 2 18 VAL MG1 . . 7.000 3.754 3.159 4.061 . 0 0 "[ . 1 . ]" 1
458 2 4 GLY H 2 18 VAL MG2 . . 7.000 5.364 5.003 5.567 . 0 0 "[ . 1 . ]" 1
459 2 4 GLY HA2 2 5 ASP H . . 3.600 3.037 2.893 3.555 . 0 0 "[ . 1 . ]" 1
460 2 4 GLY HA2 2 17 LYS QB . . 7.000 5.592 4.826 5.951 . 0 0 "[ . 1 . ]" 1
461 2 4 GLY HA2 2 17 LYS QE . . 6.200 2.636 1.981 3.551 . 0 0 "[ . 1 . ]" 1
462 2 4 GLY HA2 2 17 LYS QG . . 6.600 3.865 2.765 4.949 . 0 0 "[ . 1 . ]" 1
463 2 4 GLY HA3 2 17 LYS QE . . 7.000 4.128 3.473 5.023 . 0 0 "[ . 1 . ]" 1
464 2 5 ASP H 2 5 ASP HB2 . . 3.000 2.315 2.125 2.464 . 0 0 "[ . 1 . ]" 1
465 2 5 ASP H 2 5 ASP HB3 . . 3.500 3.440 3.367 3.531 0.031 7 0 "[ . 1 . ]" 1
466 2 5 ASP H 2 6 VAL H . . 4.900 4.505 4.456 4.666 . 0 0 "[ . 1 . ]" 1
467 2 5 ASP H 2 6 VAL MG2 . . 7.000 4.567 4.265 4.992 . 0 0 "[ . 1 . ]" 1
468 2 5 ASP H 2 7 TYR HE2 . . 6.000 5.884 5.446 6.036 0.036 1 0 "[ . 1 . ]" 1
469 2 5 ASP H 2 17 LYS QG . . 7.000 4.018 3.258 5.196 . 0 0 "[ . 1 . ]" 1
470 2 5 ASP H 2 18 VAL H . . 4.400 3.449 3.149 4.275 . 0 0 "[ . 1 . ]" 1
471 2 5 ASP H 2 18 VAL HB . . 4.000 2.666 2.197 3.449 . 0 0 "[ . 1 . ]" 1
472 2 5 ASP H 2 18 VAL MG1 . . 7.000 3.632 3.048 4.083 . 0 0 "[ . 1 . ]" 1
473 2 5 ASP HA 2 6 VAL H . . 3.300 2.575 2.502 2.697 . 0 0 "[ . 1 . ]" 1
474 2 5 ASP HB2 2 6 VAL H . . 4.300 3.875 3.676 3.990 . 0 0 "[ . 1 . ]" 1
475 2 5 ASP HB2 2 7 TYR HD2 . . 5.100 4.518 4.104 4.923 . 0 0 "[ . 1 . ]" 1
476 2 5 ASP HB2 2 7 TYR HE2 . . 4.000 3.928 3.466 4.024 0.024 14 0 "[ . 1 . ]" 1
477 2 5 ASP HB2 2 18 VAL HB . . 5.300 2.473 2.242 2.983 . 0 0 "[ . 1 . ]" 1
478 2 5 ASP HB2 2 18 VAL MG1 . . 6.100 3.315 2.918 3.813 . 0 0 "[ . 1 . ]" 1
479 2 5 ASP HB2 2 18 VAL MG2 . . 4.400 3.281 2.728 3.655 . 0 0 "[ . 1 . ]" 1
480 2 5 ASP HB3 2 6 VAL H . . 3.500 2.454 2.165 2.621 . 0 0 "[ . 1 . ]" 1
481 2 5 ASP HB3 2 7 TYR HD2 . . 5.000 3.690 3.453 3.945 . 0 0 "[ . 1 . ]" 1
482 2 5 ASP HB3 2 7 TYR HE2 . . 4.000 3.507 3.314 3.759 . 0 0 "[ . 1 . ]" 1
483 2 5 ASP O 2 18 VAL H . . 2.000 1.986 1.884 2.037 0.037 12 0 "[ . 1 . ]" 1
484 2 5 ASP O 2 18 VAL N . . 3.000 2.804 2.763 2.910 . 0 0 "[ . 1 . ]" 1
485 2 6 VAL H 2 6 VAL HB . . 2.600 2.562 2.521 2.619 0.019 14 0 "[ . 1 . ]" 1
486 2 6 VAL H 2 7 TYR HD2 . . 6.000 4.659 4.602 4.719 . 0 0 "[ . 1 . ]" 1
487 2 6 VAL H 2 7 TYR HE2 . . 5.400 5.432 5.411 5.483 0.083 7 0 "[ . 1 . ]" 1
488 2 6 VAL H 2 18 VAL H . . 4.600 4.595 4.372 4.686 0.086 12 0 "[ . 1 . ]" 1
489 2 6 VAL H 2 35 LYS QE . . 7.000 3.101 1.734 5.409 . 0 0 "[ . 1 . ]" 1
490 2 6 VAL HA 2 7 TYR H . . 3.600 2.249 2.195 2.304 . 0 0 "[ . 1 . ]" 1
491 2 6 VAL HA 2 7 TYR HB2 . . 6.000 4.034 4.000 4.098 . 0 0 "[ . 1 . ]" 1
492 2 6 VAL HA 2 17 LYS HA . . 3.900 2.228 2.109 2.425 . 0 0 "[ . 1 . ]" 1
493 2 6 VAL HA 2 17 LYS QG . . 7.000 4.028 3.023 5.257 . 0 0 "[ . 1 . ]" 1
494 2 6 VAL MG1 2 7 TYR H . . 3.600 2.419 2.064 2.841 . 0 0 "[ . 1 . ]" 1
495 2 6 VAL MG1 2 8 LYS QB . . 4.400 3.282 3.096 3.379 . 0 0 "[ . 1 . ]" 1
496 2 6 VAL MG1 2 15 VAL HA . . 7.000 3.821 3.535 4.149 . 0 0 "[ . 1 . ]" 1
497 2 6 VAL MG1 2 17 LYS HA . . 4.700 3.782 3.717 3.878 . 0 0 "[ . 1 . ]" 1
498 2 6 VAL MG1 2 36 GLN HE22 . . 7.000 5.330 5.253 5.381 . 0 0 "[ . 1 . ]" 1
499 2 6 VAL MG1 2 36 GLN HG2 . . 3.400 2.464 2.396 2.544 . 0 0 "[ . 1 . ]" 1
500 2 6 VAL MG1 2 36 GLN HG3 . . 3.500 1.953 1.896 2.058 . 0 0 "[ . 1 . ]" 1
501 2 6 VAL MG2 2 7 TYR H . . 7.000 3.650 3.444 3.788 . 0 0 "[ . 1 . ]" 1
502 2 6 VAL MG2 2 17 LYS HA . . 3.400 2.277 1.969 2.599 . 0 0 "[ . 1 . ]" 1
503 2 6 VAL MG2 2 17 LYS QE . . 8.000 3.985 2.614 4.859 . 0 0 "[ . 1 . ]" 1
504 2 6 VAL O 2 36 GLN H . . 2.000 2.011 1.948 2.065 0.065 7 0 "[ . 1 . ]" 1
505 2 6 VAL O 2 36 GLN N . . 3.000 2.891 2.790 2.962 . 0 0 "[ . 1 . ]" 1
506 2 7 TYR H 2 7 TYR HB2 . . 3.700 2.277 2.185 2.341 . 0 0 "[ . 1 . ]" 1
507 2 7 TYR H 2 7 TYR HD2 . . 5.300 3.451 3.215 3.573 . 0 0 "[ . 1 . ]" 1
508 2 7 TYR H 2 16 VAL H . . 3.800 2.713 2.604 2.947 . 0 0 "[ . 1 . ]" 1
509 2 7 TYR H 2 16 VAL O . . 2.000 1.864 1.785 1.966 . 0 0 "[ . 1 . ]" 1
510 2 7 TYR H 2 17 LYS HA . . 5.900 3.520 3.375 3.727 . 0 0 "[ . 1 . ]" 1
511 2 7 TYR H 2 17 LYS QB . . 7.000 4.994 4.788 5.149 . 0 0 "[ . 1 . ]" 1
512 2 7 TYR HA 2 35 LYS HA . . 4.000 2.425 2.362 2.544 . 0 0 "[ . 1 . ]" 1
513 2 7 TYR HA 2 35 LYS QG . . 7.000 3.583 3.284 3.934 . 0 0 "[ . 1 . ]" 1
514 2 7 TYR HA 2 36 GLN HG2 . . 6.000 3.153 3.037 3.286 . 0 0 "[ . 1 . ]" 1
515 2 7 TYR HA 2 36 GLN HG3 . . 6.000 4.298 4.077 4.436 . 0 0 "[ . 1 . ]" 1
516 2 7 TYR HB2 2 7 TYR HD2 . . 3.300 2.381 2.355 2.405 . 0 0 "[ . 1 . ]" 1
517 2 7 TYR HB2 2 7 TYR HE2 . . 5.400 4.736 4.723 4.747 . 0 0 "[ . 1 . ]" 1
518 2 7 TYR HB2 2 8 LYS H . . 4.700 4.528 4.461 4.568 . 0 0 "[ . 1 . ]" 1
519 2 7 TYR HB2 2 26 LEU MD1 . . 4.700 2.571 2.385 2.706 . 0 0 "[ . 1 . ]" 1
520 2 7 TYR HB3 2 7 TYR HD1 . . 3.300 2.539 2.502 2.585 . 0 0 "[ . 1 . ]" 1
521 2 7 TYR HB3 2 8 LYS H . . 4.500 3.620 3.469 3.723 . 0 0 "[ . 1 . ]" 1
522 2 7 TYR HB3 2 16 VAL MG2 . . 3.800 3.065 2.958 3.163 . 0 0 "[ . 1 . ]" 1
523 2 7 TYR HB3 2 26 LEU MD1 . . 7.000 2.561 2.314 2.770 . 0 0 "[ . 1 . ]" 1
524 2 7 TYR HB3 2 33 MET HB3 . . 4.100 2.541 2.320 2.743 . 0 0 "[ . 1 . ]" 1
525 2 7 TYR HB3 2 33 MET ME . . 6.300 2.798 1.898 3.748 . 0 0 "[ . 1 . ]" 1
526 2 7 TYR HD1 2 8 LYS H . . 5.200 3.832 3.722 4.056 . 0 0 "[ . 1 . ]" 1
527 2 7 TYR HD1 2 26 LEU HG . . 5.200 5.060 4.774 5.235 0.035 14 0 "[ . 1 . ]" 1
528 2 7 TYR HD1 2 33 MET HB2 . . 6.000 3.713 3.683 3.737 . 0 0 "[ . 1 . ]" 1
529 2 7 TYR HD1 2 33 MET HB3 . . 4.500 1.968 1.932 1.986 . 0 0 "[ . 1 . ]" 1
530 2 7 TYR HD1 2 33 MET ME . . 5.600 4.270 3.733 4.679 . 0 0 "[ . 1 . ]" 1
531 2 7 TYR HD1 2 33 MET QG . . 7.000 2.814 2.590 3.156 . 0 0 "[ . 1 . ]" 1
532 2 7 TYR HD1 2 34 VAL H . . 6.000 3.705 3.560 3.848 . 0 0 "[ . 1 . ]" 1
533 2 7 TYR HD1 2 34 VAL HA . . 6.000 3.731 3.580 3.827 . 0 0 "[ . 1 . ]" 1
534 2 7 TYR HD1 2 35 LYS H . . 5.800 4.505 4.328 4.566 . 0 0 "[ . 1 . ]" 1
535 2 7 TYR HD2 2 16 VAL MG2 . . 4.300 3.517 3.353 3.590 . 0 0 "[ . 1 . ]" 1
536 2 7 TYR HD2 2 18 VAL MG2 . . 3.400 1.836 1.761 1.945 . 0 0 "[ . 1 . ]" 1
537 2 7 TYR HD2 2 26 LEU MD1 . . 4.400 2.709 2.454 2.972 . 0 0 "[ . 1 . ]" 1
538 2 7 TYR HD2 2 35 LYS HA . . 5.200 5.046 4.956 5.082 . 0 0 "[ . 1 . ]" 1
539 2 7 TYR HD2 2 35 LYS QG . . 7.000 4.328 4.073 4.746 . 0 0 "[ . 1 . ]" 1
540 2 7 TYR HE1 2 33 MET HB3 . . 4.100 3.817 3.694 4.049 . 0 0 "[ . 1 . ]" 1
541 2 7 TYR HE1 2 34 VAL HA . . 6.000 3.968 3.715 4.221 . 0 0 "[ . 1 . ]" 1
542 2 7 TYR HE1 2 35 LYS H . . 4.500 4.469 4.198 4.535 0.035 17 0 "[ . 1 . ]" 1
543 2 7 TYR HE1 2 35 LYS QG . . 5.300 4.389 3.979 4.819 . 0 0 "[ . 1 . ]" 1
544 2 7 TYR HE2 2 26 LEU MD1 . . 7.000 3.570 3.414 3.803 . 0 0 "[ . 1 . ]" 1
545 2 7 TYR HE2 2 35 LYS HA . . 5.600 5.604 5.553 5.660 0.060 9 0 "[ . 1 . ]" 1
546 2 7 TYR HE2 2 35 LYS QE . . 7.000 4.551 2.045 5.793 . 0 0 "[ . 1 . ]" 1
547 2 7 TYR N 2 16 VAL O . . 3.000 2.828 2.745 2.918 . 0 0 "[ . 1 . ]" 1
548 2 7 TYR O 2 16 VAL H . . 2.000 1.956 1.848 2.066 0.066 15 0 "[ . 1 . ]" 1
549 2 7 TYR O 2 16 VAL N . . 3.000 2.887 2.781 2.976 . 0 0 "[ . 1 . ]" 1
550 2 8 LYS H 2 34 VAL H . . 3.300 3.364 3.317 3.408 0.108 14 0 "[ . 1 . ]" 1
551 2 8 LYS H 2 34 VAL O . . 2.000 1.891 1.795 1.985 . 0 0 "[ . 1 . ]" 1
552 2 8 LYS HA 2 8 LYS QD . . 4.800 3.342 2.506 3.770 . 0 0 "[ . 1 . ]" 1
553 2 8 LYS HA 2 9 CYS H . . 3.000 2.217 2.196 2.243 . 0 0 "[ . 1 . ]" 1
554 2 8 LYS HA 2 15 VAL HA . . 4.300 2.271 2.004 2.504 . 0 0 "[ . 1 . ]" 1
555 2 8 LYS HA 2 15 VAL QG . . 5.000 2.581 2.341 2.883 . 0 0 "[ . 1 . ]" 1
556 2 8 LYS QB 2 9 CYS H . . 5.000 3.706 3.252 3.819 . 0 0 "[ . 1 . ]" 1
557 2 8 LYS QB 2 9 CYS HA . . 7.000 5.045 4.949 5.140 . 0 0 "[ . 1 . ]" 1
558 2 8 LYS QB 2 15 VAL HA . . 7.000 3.193 2.987 3.352 . 0 0 "[ . 1 . ]" 1
559 2 8 LYS QB 2 15 VAL QG . . 5.800 1.912 1.706 2.012 . 0 0 "[ . 1 . ]" 1
560 2 8 LYS QB 2 36 GLN HE21 . . 7.000 3.141 2.871 4.049 . 0 0 "[ . 1 . ]" 1
561 2 8 LYS QB 2 36 GLN HE22 . . 7.000 3.181 2.884 4.285 . 0 0 "[ . 1 . ]" 1
562 2 8 LYS QD 2 9 CYS H . . 7.000 3.247 2.030 3.850 . 0 0 "[ . 1 . ]" 1
563 2 8 LYS QD 2 15 VAL HA . . 7.000 4.513 3.292 5.412 . 0 0 "[ . 1 . ]" 1
564 2 8 LYS QD 2 36 GLN HE21 . . 7.000 5.016 4.204 6.047 . 0 0 "[ . 1 . ]" 1
565 2 8 LYS QD 2 36 GLN HG2 . . 6.400 5.018 4.611 5.619 . 0 0 "[ . 1 . ]" 1
566 2 8 LYS QD 2 36 GLN HG3 . . 7.000 4.562 3.813 5.046 . 0 0 "[ . 1 . ]" 1
567 2 8 LYS HD2 2 9 CYS H . . 4.800 3.608 2.072 4.356 . 0 0 "[ . 1 . ]" 1
568 2 8 LYS HD2 2 13 GLY H . . 6.000 5.242 3.699 6.017 0.017 9 0 "[ . 1 . ]" 1
569 2 8 LYS QE 2 10 GLU HA . . 7.000 4.353 3.472 4.981 . 0 0 "[ . 1 . ]" 1
570 2 8 LYS QE 2 13 GLY H . . 7.000 5.434 4.107 6.296 . 0 0 "[ . 1 . ]" 1
571 2 8 LYS QE 2 13 GLY HA2 . . 6.200 3.388 1.945 4.404 . 0 0 "[ . 1 . ]" 1
572 2 8 LYS QE 2 13 GLY HA3 . . 7.000 4.103 2.261 5.304 . 0 0 "[ . 1 . ]" 1
573 2 8 LYS QE 2 15 VAL QG . . 9.400 3.335 2.708 3.637 . 0 0 "[ . 1 . ]" 1
574 2 8 LYS QE 2 36 GLN HE22 . . 7.000 4.472 3.269 5.837 . 0 0 "[ . 1 . ]" 1
575 2 8 LYS QG 2 9 CYS H . . 6.700 2.627 2.217 4.059 . 0 0 "[ . 1 . ]" 1
576 2 8 LYS QG 2 9 CYS HA . . 7.000 4.146 3.758 4.493 . 0 0 "[ . 1 . ]" 1
577 2 8 LYS N 2 34 VAL O . . 3.000 2.752 2.680 2.829 . 0 0 "[ . 1 . ]" 1
578 2 8 LYS O 2 34 VAL H . . 2.000 2.038 1.996 2.076 0.076 8 0 "[ . 1 . ]" 1
579 2 8 LYS O 2 34 VAL N . . 3.000 2.974 2.901 3.024 0.024 9 0 "[ . 1 . ]" 1
580 2 9 CYS H 2 9 CYS HB2 . . 4.000 2.610 2.563 2.673 . 0 0 "[ . 1 . ]" 1
581 2 9 CYS H 2 9 CYS HB3 . . 3.800 2.461 2.433 2.544 . 0 0 "[ . 1 . ]" 1
582 2 9 CYS H 2 14 GLN H . . 4.000 2.962 2.801 3.224 . 0 0 "[ . 1 . ]" 1
583 2 9 CYS H 2 14 GLN O . . 2.000 2.068 2.001 2.134 0.134 6 0 "[ . 1 . ]" 1
584 2 9 CYS HA 2 33 MET HB2 . . 6.000 4.192 4.083 4.321 . 0 0 "[ . 1 . ]" 1
585 2 9 CYS HB2 2 10 GLU H . . 5.200 4.088 3.894 4.232 . 0 0 "[ . 1 . ]" 1
586 2 9 CYS HB2 2 13 GLY H . . 3.600 3.719 3.667 3.769 0.169 4 0 "[ . 1 . ]" 1
587 2 9 CYS HB2 2 14 GLN H . . 6.000 3.087 2.983 3.212 . 0 0 "[ . 1 . ]" 1
588 2 9 CYS HB2 2 33 MET QG . . 3.700 3.024 2.549 3.247 . 0 0 "[ . 1 . ]" 1
589 2 9 CYS HB3 2 10 GLU H . . 6.000 3.961 3.713 4.148 . 0 0 "[ . 1 . ]" 1
590 2 9 CYS HB3 2 13 GLY H . . 2.800 1.998 1.935 2.045 . 0 0 "[ . 1 . ]" 1
591 2 9 CYS HB3 2 14 GLN H . . 5.500 1.930 1.861 2.074 . 0 0 "[ . 1 . ]" 1
592 2 9 CYS HB3 2 14 GLN HB2 . . 4.400 4.096 3.654 4.345 . 0 0 "[ . 1 . ]" 1
593 2 9 CYS HB3 2 33 MET HB2 . . 6.000 6.138 6.044 6.208 0.208 14 0 "[ . 1 . ]" 1
594 2 9 CYS HB3 2 33 MET QG . . 5.300 4.116 3.820 4.249 . 0 0 "[ . 1 . ]" 1
595 2 9 CYS N 2 14 GLN O . . 3.000 2.928 2.847 2.997 . 0 0 "[ . 1 . ]" 1
596 2 9 CYS SG 2 12 CYS H . . 2.900 2.932 2.852 2.991 0.091 5 0 "[ . 1 . ]" 1
597 2 9 CYS SG 2 12 CYS N . . 3.800 3.832 3.805 3.881 0.081 3 0 "[ . 1 . ]" 1
598 2 9 CYS SG 2 12 CYS SG . . 4.000 3.705 3.601 3.836 . 0 0 "[ . 1 . ]" 1
599 2 9 CYS SG 2 28 CYS SG . . 4.000 4.068 4.009 4.147 0.147 3 0 "[ . 1 . ]" 1
600 2 9 CYS SG 2 29 CYS SG . . 4.000 4.064 3.703 4.145 0.145 13 0 "[ . 1 . ]" 1
601 2 10 GLU H 2 10 GLU QB . . 3.700 2.257 2.141 2.387 . 0 0 "[ . 1 . ]" 1
602 2 10 GLU H 2 10 GLU HG2 . . 3.400 3.364 3.246 3.416 0.016 14 0 "[ . 1 . ]" 1
603 2 10 GLU H 2 10 GLU HG3 . . 3.900 3.760 3.548 3.913 0.013 1 0 "[ . 1 . ]" 1
604 2 10 GLU H 2 11 LEU H . . 4.000 2.848 2.525 3.072 . 0 0 "[ . 1 . ]" 1
605 2 10 GLU H 2 34 VAL MG1 . . 7.000 3.430 3.033 3.860 . 0 0 "[ . 1 . ]" 1
606 2 10 GLU HA 2 10 GLU HG2 . . 3.200 2.244 2.136 2.350 . 0 0 "[ . 1 . ]" 1
607 2 10 GLU HG2 2 11 LEU H . . 6.000 4.846 4.769 4.904 . 0 0 "[ . 1 . ]" 1
608 2 10 GLU HG2 2 34 VAL MG1 . . 6.400 2.465 2.011 3.313 . 0 0 "[ . 1 . ]" 1
609 2 10 GLU HG2 2 34 VAL MG2 . . 3.800 2.768 2.487 3.011 . 0 0 "[ . 1 . ]" 1
610 2 10 GLU HG3 2 34 VAL MG1 . . 4.900 1.829 1.782 1.974 . 0 0 "[ . 1 . ]" 1
611 2 11 LEU H 2 11 LEU HG . . 4.300 4.335 4.098 4.485 0.185 11 0 "[ . 1 . ]" 1
612 2 11 LEU H 2 12 CYS H . . 4.900 2.502 2.284 2.735 . 0 0 "[ . 1 . ]" 1
613 2 11 LEU H 2 13 GLY H . . 3.400 2.807 2.548 3.084 . 0 0 "[ . 1 . ]" 1
614 2 11 LEU HA 2 11 LEU HG . . 3.300 2.759 2.074 3.445 0.145 5 0 "[ . 1 . ]" 1
615 2 11 LEU QB 2 12 CYS H . . 6.500 2.211 2.038 2.397 . 0 0 "[ . 1 . ]" 1
616 2 11 LEU QB 2 13 GLY H . . 4.700 4.134 3.996 4.288 . 0 0 "[ . 1 . ]" 1
617 2 11 LEU QB 2 29 CYS HB2 . . 7.000 2.609 2.232 4.373 . 0 0 "[ . 1 . ]" 1
618 2 11 LEU QB 2 29 CYS HB3 . . 5.700 2.931 2.545 4.634 . 0 0 "[ . 1 . ]" 1
619 2 11 LEU QD 2 29 CYS HA . . 8.400 3.605 3.441 4.215 . 0 0 "[ . 1 . ]" 1
620 2 11 LEU QD 2 29 CYS HB2 . . 8.400 2.364 1.958 2.928 . 0 0 "[ . 1 . ]" 1
621 2 11 LEU QD 2 29 CYS HB3 . . 6.000 1.855 1.716 3.572 . 0 0 "[ . 1 . ]" 1
622 2 11 LEU HG 2 12 CYS H . . 6.000 3.772 2.609 4.834 . 0 0 "[ . 1 . ]" 1
623 2 11 LEU HG 2 29 CYS HB3 . . 4.300 3.908 3.659 4.339 0.039 3 0 "[ . 1 . ]" 1
624 2 12 CYS H 2 13 GLY H . . 3.700 2.420 2.199 2.581 . 0 0 "[ . 1 . ]" 1
625 2 12 CYS SG 2 14 GLN H . . 2.900 2.692 2.611 2.746 . 0 0 "[ . 1 . ]" 1
626 2 12 CYS SG 2 14 GLN N . . 3.800 3.517 3.491 3.582 . 0 0 "[ . 1 . ]" 1
627 2 12 CYS SG 2 28 CYS SG . . 4.000 3.961 3.671 4.049 0.049 12 0 "[ . 1 . ]" 1
628 2 12 CYS SG 2 29 CYS SG . . 4.000 4.079 4.029 4.178 0.178 3 0 "[ . 1 . ]" 1
629 2 13 GLY H 2 14 GLN H . . 3.600 2.020 1.887 2.223 . 0 0 "[ . 1 . ]" 1
630 2 13 GLY H 2 14 GLN HE21 . . 6.000 5.956 5.499 6.017 0.017 13 0 "[ . 1 . ]" 1
631 2 14 GLN H 2 14 GLN HB2 . . 2.700 2.682 2.527 2.762 0.062 17 0 "[ . 1 . ]" 1
632 2 14 GLN H 2 14 GLN HE21 . . 6.000 4.410 4.049 4.559 . 0 0 "[ . 1 . ]" 1
633 2 14 GLN H 2 14 GLN HE22 . . 6.000 5.828 5.664 5.933 . 0 0 "[ . 1 . ]" 1
634 2 14 GLN HA 2 14 GLN HB2 . . 2.400 2.424 2.406 2.438 0.038 5 0 "[ . 1 . ]" 1
635 2 14 GLN HA 2 15 VAL QG . . 8.400 3.471 3.146 3.866 . 0 0 "[ . 1 . ]" 1
636 2 14 GLN HB2 2 14 GLN HE21 . . 3.400 2.618 2.135 2.996 . 0 0 "[ . 1 . ]" 1
637 2 14 GLN HB2 2 14 GLN HE22 . . 3.800 3.545 3.269 3.803 0.003 17 0 "[ . 1 . ]" 1
638 2 14 GLN HE21 2 33 MET QG . . 7.000 5.963 5.600 6.294 . 0 0 "[ . 1 . ]" 1
639 2 14 GLN QG 2 15 VAL H . . 7.000 2.741 2.487 3.002 . 0 0 "[ . 1 . ]" 1
640 2 15 VAL H 2 15 VAL HB . . 3.000 2.570 2.382 2.767 . 0 0 "[ . 1 . ]" 1
641 2 15 VAL H 2 16 VAL H . . 5.800 4.390 4.288 4.491 . 0 0 "[ . 1 . ]" 1
642 2 15 VAL H 2 16 VAL MG2 . . 7.000 5.622 5.509 5.799 . 0 0 "[ . 1 . ]" 1
643 2 15 VAL HA 2 16 VAL H . . 3.200 2.195 2.182 2.221 . 0 0 "[ . 1 . ]" 1
644 2 15 VAL HA 2 16 VAL MG2 . . 7.000 4.111 3.991 4.309 . 0 0 "[ . 1 . ]" 1
645 2 15 VAL QG 2 16 VAL HA . . 7.700 3.727 3.485 4.094 . 0 0 "[ . 1 . ]" 1
646 2 16 VAL H 2 16 VAL MG2 . . 4.300 2.360 2.223 2.557 . 0 0 "[ . 1 . ]" 1
647 2 16 VAL HA 2 16 VAL HB . . 2.400 2.328 2.289 2.353 . 0 0 "[ . 1 . ]" 1
648 2 16 VAL HA 2 17 LYS H . . 3.100 2.255 2.225 2.348 . 0 0 "[ . 1 . ]" 1
649 2 16 VAL HA 2 26 LEU MD1 . . 7.000 5.848 5.816 5.882 . 0 0 "[ . 1 . ]" 1
650 2 16 VAL HB 2 17 LYS H . . 3.200 3.139 2.909 3.231 0.031 6 0 "[ . 1 . ]" 1
651 2 16 VAL HB 2 26 LEU MD1 . . 7.000 4.581 4.476 4.668 . 0 0 "[ . 1 . ]" 1
652 2 16 VAL MG2 2 26 LEU MD1 . . 4.400 2.276 2.146 2.363 . 0 0 "[ . 1 . ]" 1
653 2 17 LYS H 2 17 LYS QD . . 6.000 4.075 3.733 4.485 . 0 0 "[ . 1 . ]" 1
654 2 17 LYS H 2 18 VAL HA . . 5.100 5.042 4.905 5.117 0.017 10 0 "[ . 1 . ]" 1
655 2 17 LYS HA 2 18 VAL H . . 2.800 2.179 2.177 2.185 . 0 0 "[ . 1 . ]" 1
656 2 17 LYS QB 2 18 VAL H . . 4.400 3.874 3.701 3.964 . 0 0 "[ . 1 . ]" 1
657 2 17 LYS QB 2 18 VAL HB . . 7.000 5.752 5.636 5.868 . 0 0 "[ . 1 . ]" 1
658 2 17 LYS QD 2 18 VAL HA . . 4.700 3.937 3.735 4.173 . 0 0 "[ . 1 . ]" 1
659 2 17 LYS QG 2 18 VAL H . . 6.600 3.105 2.693 3.812 . 0 0 "[ . 1 . ]" 1
660 2 18 VAL H 2 18 VAL HB . . 2.800 2.313 2.140 2.459 . 0 0 "[ . 1 . ]" 1
661 2 18 VAL H 2 19 LEU H . . 4.500 4.523 4.420 4.587 0.087 13 0 "[ . 1 . ]" 1
662 2 18 VAL HA 2 18 VAL HB . . 3.000 3.018 2.993 3.026 0.026 12 0 "[ . 1 . ]" 1
663 2 18 VAL HA 2 19 LEU H . . 3.300 2.187 2.181 2.214 . 0 0 "[ . 1 . ]" 1
664 2 18 VAL MG1 2 19 LEU HA . . 7.000 3.872 3.574 4.166 . 0 0 "[ . 1 . ]" 1
665 2 18 VAL MG1 2 20 GLU H . . 7.000 2.876 1.904 3.413 . 0 0 "[ . 1 . ]" 1
666 2 18 VAL MG1 2 20 GLU HA . . 7.000 3.842 3.563 4.148 . 0 0 "[ . 1 . ]" 1
667 2 18 VAL MG1 2 21 GLU HA . . 3.600 2.574 2.365 2.889 . 0 0 "[ . 1 . ]" 1
668 2 18 VAL MG1 2 22 GLY H . . 7.000 4.276 3.925 4.651 . 0 0 "[ . 1 . ]" 1
669 2 18 VAL MG2 2 26 LEU MD1 . . 4.400 2.622 2.435 2.833 . 0 0 "[ . 1 . ]" 1
670 2 19 LEU H 2 19 LEU HG . . 3.900 2.914 2.149 3.962 0.062 12 0 "[ . 1 . ]" 1
671 2 19 LEU H 2 20 GLU H . . 4.300 2.226 1.823 2.575 . 0 0 "[ . 1 . ]" 1
672 2 19 LEU HA 2 20 GLU QB . . 7.000 4.826 4.699 4.964 . 0 0 "[ . 1 . ]" 1
673 2 19 LEU QB 2 20 GLU H . . 6.600 2.990 2.176 3.882 . 0 0 "[ . 1 . ]" 1
674 2 20 GLU H 2 20 GLU HG3 . . 5.500 4.427 3.671 4.620 . 0 0 "[ . 1 . ]" 1
675 2 20 GLU HA 2 21 GLU H . . 3.300 2.220 2.202 2.264 . 0 0 "[ . 1 . ]" 1
676 2 20 GLU HA 2 21 GLU QG . . 7.000 4.642 3.797 5.791 . 0 0 "[ . 1 . ]" 1
677 2 21 GLU H 2 21 GLU QB . . 3.600 2.306 2.140 2.495 . 0 0 "[ . 1 . ]" 1
678 2 21 GLU H 2 21 GLU QG . . 4.900 2.897 1.997 3.931 . 0 0 "[ . 1 . ]" 1
679 2 21 GLU H 2 22 GLY H . . 4.800 4.659 4.621 4.673 . 0 0 "[ . 1 . ]" 1
680 2 21 GLU HA 2 22 GLY H . . 2.500 2.444 2.314 2.539 0.039 10 0 "[ . 1 . ]" 1
681 2 21 GLU QB 2 22 GLY H . . 4.300 2.893 2.392 3.618 . 0 0 "[ . 1 . ]" 1
682 2 21 GLU QG 2 22 GLY H . . 6.400 2.925 1.914 3.738 . 0 0 "[ . 1 . ]" 1
683 2 22 GLY H 2 23 GLY H . . 6.000 3.331 2.292 4.325 . 0 0 "[ . 1 . ]" 1
684 2 22 GLY H 2 24 GLY H . . 4.000 4.002 3.627 4.094 0.094 14 0 "[ . 1 . ]" 1
685 2 23 GLY H 2 24 GLY H . . 4.200 2.569 1.950 3.737 . 0 0 "[ . 1 . ]" 1
686 2 24 GLY H 2 24 GLY HA3 . . 2.700 2.690 2.642 2.748 0.048 6 0 "[ . 1 . ]" 1
687 2 24 GLY H 2 25 THR H . . 4.600 4.342 4.297 4.389 . 0 0 "[ . 1 . ]" 1
688 2 25 THR H 2 25 THR HB . . 2.500 2.526 2.424 2.615 0.115 17 0 "[ . 1 . ]" 1
689 2 25 THR H 2 26 LEU H . . 5.300 4.483 4.467 4.536 . 0 0 "[ . 1 . ]" 1
690 2 25 THR HA 2 26 LEU H . . 2.500 2.420 2.282 2.541 0.041 13 0 "[ . 1 . ]" 1
691 2 25 THR HA 2 26 LEU QB . . 5.300 4.604 4.433 4.661 . 0 0 "[ . 1 . ]" 1
692 2 25 THR HA 2 26 LEU HG . . 5.000 3.193 3.082 3.357 . 0 0 "[ . 1 . ]" 1
693 2 25 THR HB 2 26 LEU H . . 4.900 3.971 3.762 4.125 . 0 0 "[ . 1 . ]" 1
694 2 25 THR HB 2 27 VAL MG2 . . 7.000 3.240 2.875 4.154 . 0 0 "[ . 1 . ]" 1
695 2 25 THR MG 2 27 VAL MG2 . . 4.400 2.117 1.687 2.535 . 0 0 "[ . 1 . ]" 1
696 2 26 LEU H 2 26 LEU QB . . 3.700 2.656 2.530 2.740 . 0 0 "[ . 1 . ]" 1
697 2 26 LEU H 2 26 LEU HG . . 2.800 2.298 1.942 2.785 . 0 0 "[ . 1 . ]" 1
698 2 26 LEU H 2 27 VAL H . . 6.000 3.777 3.469 3.983 . 0 0 "[ . 1 . ]" 1
699 2 26 LEU HA 2 26 LEU MD2 . . 4.100 2.400 2.058 2.673 . 0 0 "[ . 1 . ]" 1
700 2 26 LEU HA 2 26 LEU HG . . 3.200 3.160 3.048 3.222 0.022 11 0 "[ . 1 . ]" 1
701 2 26 LEU MD1 2 33 MET HB3 . . 7.000 3.107 2.857 3.372 . 0 0 "[ . 1 . ]" 1
702 2 26 LEU MD1 2 33 MET QG . . 8.000 3.847 3.579 4.107 . 0 0 "[ . 1 . ]" 1
703 2 26 LEU MD2 2 27 VAL H . . 7.000 4.445 4.270 4.610 . 0 0 "[ . 1 . ]" 1
704 2 26 LEU HG 2 27 VAL H . . 5.000 5.113 5.093 5.149 0.149 17 0 "[ . 1 . ]" 1
705 2 26 LEU HG 2 33 MET H . . 6.000 5.373 5.161 5.476 . 0 0 "[ . 1 . ]" 1
706 2 26 LEU HG 2 33 MET HB2 . . 4.700 4.793 4.746 4.851 0.151 9 0 "[ . 1 . ]" 1
707 2 26 LEU O 2 33 MET H . . 2.000 2.011 1.839 2.030 0.030 13 0 "[ . 1 . ]" 1
708 2 26 LEU O 2 33 MET N . . 3.000 2.996 2.829 3.026 0.026 13 0 "[ . 1 . ]" 1
709 2 27 VAL H 2 27 VAL HB . . 2.800 2.345 2.258 2.435 . 0 0 "[ . 1 . ]" 1
710 2 27 VAL H 2 28 CYS H . . 5.900 4.379 4.367 4.392 . 0 0 "[ . 1 . ]" 1
711 2 27 VAL HA 2 27 VAL HB . . 2.900 3.023 3.016 3.025 0.125 7 0 "[ . 1 . ]" 1
712 2 27 VAL HA 2 28 CYS HA . . 5.400 4.363 4.360 4.369 . 0 0 "[ . 1 . ]" 1
713 2 27 VAL HA 2 28 CYS HB2 . . 6.000 4.569 4.524 4.718 . 0 0 "[ . 1 . ]" 1
714 2 27 VAL HA 2 33 MET H . . 3.900 2.985 2.748 3.441 . 0 0 "[ . 1 . ]" 1
715 2 27 VAL HA 2 33 MET HB2 . . 6.000 4.507 4.287 4.944 . 0 0 "[ . 1 . ]" 1
716 2 27 VAL HB 2 28 CYS H . . 4.900 4.509 4.467 4.543 . 0 0 "[ . 1 . ]" 1
717 2 27 VAL HB 2 28 CYS HA . . 5.800 4.930 4.843 5.003 . 0 0 "[ . 1 . ]" 1
718 2 27 VAL MG1 2 28 CYS H . . 4.000 3.158 3.054 3.271 . 0 0 "[ . 1 . ]" 1
719 2 27 VAL MG1 2 28 CYS HA . . 7.000 3.752 3.650 3.887 . 0 0 "[ . 1 . ]" 1
720 2 27 VAL MG1 2 29 CYS H . . 7.000 4.446 4.272 4.599 . 0 0 "[ . 1 . ]" 1
721 2 27 VAL MG1 2 30 GLY H . . 3.800 2.842 2.615 3.020 . 0 0 "[ . 1 . ]" 1
722 2 27 VAL MG1 2 30 GLY HA2 . . 3.400 2.434 2.251 2.477 . 0 0 "[ . 1 . ]" 1
723 2 27 VAL MG1 2 30 GLY HA3 . . 4.500 3.785 3.567 3.832 . 0 0 "[ . 1 . ]" 1
724 2 27 VAL MG1 2 31 GLU H . . 5.600 2.678 2.472 2.850 . 0 0 "[ . 1 . ]" 1
725 2 27 VAL MG1 2 31 GLU HA . . 7.000 3.478 3.133 3.880 . 0 0 "[ . 1 . ]" 1
726 2 27 VAL MG1 2 33 MET H . . 7.000 4.845 4.634 5.326 . 0 0 "[ . 1 . ]" 1
727 2 27 VAL MG2 2 28 CYS H . . 7.000 4.189 4.135 4.273 . 0 0 "[ . 1 . ]" 1
728 2 27 VAL MG2 2 30 GLY H . . 7.000 5.522 5.380 5.645 . 0 0 "[ . 1 . ]" 1
729 2 27 VAL MG2 2 32 ASP H . . 7.000 3.642 3.340 3.860 . 0 0 "[ . 1 . ]" 1
730 2 27 VAL MG2 2 33 MET H . . 7.000 4.225 3.938 4.538 . 0 0 "[ . 1 . ]" 1
731 2 28 CYS H 2 31 GLU H . . 3.100 2.934 2.703 3.051 . 0 0 "[ . 1 . ]" 1
732 2 28 CYS H 2 31 GLU O . . 2.000 1.938 1.821 2.005 0.005 12 0 "[ . 1 . ]" 1
733 2 28 CYS H 2 33 MET HB2 . . 5.900 3.890 3.721 4.370 . 0 0 "[ . 1 . ]" 1
734 2 28 CYS HB2 2 33 MET HB2 . . 4.300 3.818 3.615 4.215 . 0 0 "[ . 1 . ]" 1
735 2 28 CYS HB3 2 33 MET HB2 . . 5.800 3.942 3.642 4.195 . 0 0 "[ . 1 . ]" 1
736 2 28 CYS HB3 2 33 MET QG . . 7.000 4.168 3.880 4.389 . 0 0 "[ . 1 . ]" 1
737 2 28 CYS N 2 31 GLU O . . 3.000 2.854 2.777 2.956 . 0 0 "[ . 1 . ]" 1
738 2 28 CYS O 2 31 GLU H . . 2.000 1.973 1.896 2.099 0.099 3 0 "[ . 1 . ]" 1
739 2 28 CYS O 2 31 GLU N . . 3.000 2.825 2.633 2.891 . 0 0 "[ . 1 . ]" 1
740 2 28 CYS SG 2 29 CYS SG . . 4.400 4.264 4.053 4.361 . 0 0 "[ . 1 . ]" 1
741 2 29 CYS H 2 29 CYS HA . . 2.600 2.194 2.192 2.212 . 0 0 "[ . 1 . ]" 1
742 2 29 CYS H 2 30 GLY H . . 3.500 2.613 2.542 2.996 . 0 0 "[ . 1 . ]" 1
743 2 29 CYS HB3 2 30 GLY H . . 5.300 4.502 4.471 4.705 . 0 0 "[ . 1 . ]" 1
744 2 30 GLY H 2 30 GLY HA2 . . 2.900 2.251 2.246 2.257 . 0 0 "[ . 1 . ]" 1
745 2 30 GLY H 2 30 GLY HA3 . . 2.900 2.819 2.741 2.846 . 0 0 "[ . 1 . ]" 1
746 2 30 GLY H 2 31 GLU H . . 3.900 2.615 2.528 2.890 . 0 0 "[ . 1 . ]" 1
747 2 30 GLY HA3 2 31 GLU QB . . 5.400 4.354 4.315 4.400 . 0 0 "[ . 1 . ]" 1
748 2 31 GLU H 2 31 GLU HB3 . . 3.500 2.978 2.852 3.230 . 0 0 "[ . 1 . ]" 1
749 2 31 GLU H 2 31 GLU HG2 . . 5.500 4.621 4.466 4.819 . 0 0 "[ . 1 . ]" 1
750 2 31 GLU H 2 32 ASP H . . 6.000 4.190 3.881 4.254 . 0 0 "[ . 1 . ]" 1
751 2 31 GLU HB2 2 32 ASP H . . 4.600 4.467 4.340 4.624 0.024 3 0 "[ . 1 . ]" 1
752 2 31 GLU HG2 2 32 ASP H . . 4.000 3.030 2.603 3.753 . 0 0 "[ . 1 . ]" 1
753 2 32 ASP H 2 32 ASP QB . . 3.700 2.443 2.022 2.735 . 0 0 "[ . 1 . ]" 1
754 2 32 ASP H 2 34 VAL MG1 . . 7.000 5.669 5.535 5.739 . 0 0 "[ . 1 . ]" 1
755 2 32 ASP HA 2 33 MET HB2 . . 6.000 4.276 4.231 4.308 . 0 0 "[ . 1 . ]" 1
756 2 32 ASP HA 2 33 MET HB3 . . 6.000 5.013 4.951 5.134 . 0 0 "[ . 1 . ]" 1
757 2 32 ASP HA 2 33 MET QG . . 7.000 5.717 5.547 5.774 . 0 0 "[ . 1 . ]" 1
758 2 33 MET H 2 33 MET HB2 . . 3.400 2.064 2.035 2.096 . 0 0 "[ . 1 . ]" 1
759 2 33 MET H 2 33 MET ME . . 6.800 3.956 3.117 4.886 . 0 0 "[ . 1 . ]" 1
760 2 33 MET H 2 34 VAL H . . 6.000 4.664 4.643 4.672 . 0 0 "[ . 1 . ]" 1
761 2 33 MET HA 2 33 MET HB3 . . 3.000 3.034 3.017 3.045 0.045 1 0 "[ . 1 . ]" 1
762 2 33 MET HA 2 34 VAL MG1 . . 7.000 3.189 3.023 3.262 . 0 0 "[ . 1 . ]" 1
763 2 33 MET HB2 2 34 VAL H . . 5.300 4.273 4.213 4.346 . 0 0 "[ . 1 . ]" 1
764 2 33 MET QG 2 34 VAL MG1 . . 8.000 3.789 3.681 3.957 . 0 0 "[ . 1 . ]" 1
765 2 34 VAL HA 2 35 LYS H . . 2.400 2.429 2.389 2.459 0.059 3 0 "[ . 1 . ]" 1
766 2 34 VAL HB 2 35 LYS H . . 3.800 2.740 2.633 2.856 . 0 0 "[ . 1 . ]" 1
767 2 34 VAL HB 2 36 GLN HE21 . . 4.300 4.235 4.058 4.321 0.021 12 0 "[ . 1 . ]" 1
768 2 34 VAL MG1 2 35 LYS H . . 7.000 4.101 4.027 4.167 . 0 0 "[ . 1 . ]" 1
769 2 34 VAL MG1 2 36 GLN HE21 . . 7.000 4.758 4.635 4.869 . 0 0 "[ . 1 . ]" 1
770 2 34 VAL MG1 2 36 GLN HE22 . . 7.000 4.666 4.467 4.884 . 0 0 "[ . 1 . ]" 1
771 2 34 VAL MG2 2 35 LYS H . . 3.800 3.035 2.911 3.134 . 0 0 "[ . 1 . ]" 1
772 2 34 VAL MG2 2 36 GLN HE21 . . 4.200 2.019 1.894 2.191 . 0 0 "[ . 1 . ]" 1
773 2 34 VAL MG2 2 36 GLN HE22 . . 3.500 2.226 1.943 2.435 . 0 0 "[ . 1 . ]" 1
774 2 35 LYS H 2 35 LYS QB . . 3.600 2.269 2.188 2.340 . 0 0 "[ . 1 . ]" 1
775 2 35 LYS H 2 35 LYS QG . . 4.600 3.993 3.924 4.077 . 0 0 "[ . 1 . ]" 1
776 2 35 LYS HA 2 35 LYS HD3 . . 3.400 3.354 3.031 3.442 0.042 12 0 "[ . 1 . ]" 1
777 2 35 LYS HA 2 36 GLN H . . 2.400 2.334 2.292 2.373 . 0 0 "[ . 1 . ]" 1
778 2 35 LYS HA 2 36 GLN HG3 . . 4.900 4.917 4.866 4.951 0.051 17 0 "[ . 1 . ]" 1
779 2 35 LYS QG 2 36 GLN H . . 5.800 2.488 2.224 2.630 . 0 0 "[ . 1 . ]" 1
780 2 36 GLN H 2 36 GLN QB . . 3.800 2.615 2.592 2.644 . 0 0 "[ . 1 . ]" 1
781 2 36 GLN H 2 36 GLN HE22 . . 5.300 5.153 5.008 5.303 0.003 4 0 "[ . 1 . ]" 1
782 2 36 GLN H 2 36 GLN HG2 . . 3.100 2.530 2.379 2.710 . 0 0 "[ . 1 . ]" 1
783 2 36 GLN HA 2 36 GLN HE22 . . 5.600 3.347 3.272 3.428 . 0 0 "[ . 1 . ]" 1
784 2 36 GLN HA 2 36 GLN HG2 . . 3.300 3.001 2.945 3.066 . 0 0 "[ . 1 . ]" 1
785 2 36 GLN HA 2 36 GLN HG3 . . 4.000 3.836 3.813 3.854 . 0 0 "[ . 1 . ]" 1
786 2 36 GLN HE22 2 36 GLN HG2 . . 3.700 3.492 3.479 3.512 . 0 0 "[ . 1 . ]" 1
stop_
save_