NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
428141 |
2i1p   |
7263 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2i1p
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 536
_Distance_constraint_stats_list.Viol_count 784
_Distance_constraint_stats_list.Viol_total 1409.324
_Distance_constraint_stats_list.Viol_max 0.947
_Distance_constraint_stats_list.Viol_rms 0.0499
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0066
_Distance_constraint_stats_list.Viol_average_violations_only 0.0899
_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 2 ALA 0.057 0.023 3 0 "[ . 1 . 2]"
1 3 MET 0.057 0.023 3 0 "[ . 1 . 2]"
1 4 VAL 8.127 0.947 19 7 "[ * . * 1 ** . *+-]"
1 5 LEU 8.844 0.916 7 3 "[ . + 1 * . -]"
1 6 ASN 11.041 0.916 7 6 "[ . + 1* * .*- *]"
1 7 CYS 13.401 0.613 15 9 "[ . * **** +*- *]"
1 8 THR 0.578 0.140 8 0 "[ . 1 . 2]"
1 9 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ALA 6.612 0.687 9 7 "[ . *+* - *. ** 2]"
1 11 GLN 16.091 0.715 4 12 "[* +. **** - ** ** *]"
1 12 PHE 2.364 0.389 8 0 "[ . 1 . 2]"
1 13 LYS 1.383 0.183 6 0 "[ . 1 . 2]"
1 14 CYS 1.994 0.160 20 0 "[ . 1 . 2]"
1 15 ALA 0.273 0.029 9 0 "[ . 1 . 2]"
1 16 ASP 0.065 0.028 16 0 "[ . 1 . 2]"
1 17 GLY 0.202 0.029 9 0 "[ . 1 . 2]"
1 18 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 SER 0.250 0.037 8 0 "[ . 1 . 2]"
1 20 CYS 0.593 0.122 17 0 "[ . 1 . 2]"
1 21 ILE 1.438 0.389 8 0 "[ . 1 . 2]"
1 22 ASN 3.064 0.342 14 0 "[ . 1 . 2]"
1 23 SER 4.434 0.715 4 3 "[- +. 1 . *]"
1 24 ARG 4.523 0.341 18 0 "[ . 1 . 2]"
1 25 TYR 3.247 0.342 14 0 "[ . 1 . 2]"
1 26 ARG 1.163 0.182 19 0 "[ . 1 . 2]"
1 27 CYS 0.424 0.182 19 0 "[ . 1 . 2]"
1 28 ASP 0.407 0.151 17 0 "[ . 1 . 2]"
1 29 GLY 0.034 0.013 5 0 "[ . 1 . 2]"
1 30 VAL 0.510 0.151 17 0 "[ . 1 . 2]"
1 31 TYR 2.796 0.716 15 1 "[ . 1 + 2]"
1 32 ASP 0.154 0.081 9 0 "[ . 1 . 2]"
1 33 CYS 0.664 0.100 8 0 "[ . 1 . 2]"
1 34 ARG 4.854 0.525 8 2 "[ - . + 1 . 2]"
1 35 ASP 3.137 0.421 18 0 "[ . 1 . 2]"
1 36 ASN 2.090 0.716 15 1 "[ . 1 + 2]"
1 37 SER 0.529 0.077 5 0 "[ . 1 . 2]"
1 38 ASP 1.103 0.151 17 0 "[ . 1 . 2]"
1 39 GLU 1.400 0.342 14 0 "[ . 1 . 2]"
1 40 ALA 0.099 0.031 1 0 "[ . 1 . 2]"
1 41 GLY 0.085 0.031 1 0 "[ . 1 . 2]"
1 42 CYS 1.396 0.399 19 0 "[ . 1 . 2]"
1 43 PRO 2.501 0.300 19 0 "[ . 1 . 2]"
1 44 THR 0.345 0.046 3 0 "[ . 1 . 2]"
1 45 ARG 3.380 0.851 1 3 "[+* . 1 . -2]"
1 46 PRO 3.230 0.851 1 3 "[+* . 1 . -2]"
1 47 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLY 0.005 0.005 10 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 2 ALA HA 1 2 ALA MB 2.200 . 2.800 2.042 1.936 2.078 . 0 0 "[ . 1 . 2]" 1
2 1 2 ALA HA 1 3 MET H 2.400 . 3.100 2.481 2.121 3.123 0.023 3 0 "[ . 1 . 2]" 1
3 1 3 MET H 1 3 MET HA 2.100 . 5.000 2.271 2.043 2.383 . 0 0 "[ . 1 . 2]" 1
4 1 3 MET H 1 3 MET QB 2.600 . 3.500 2.468 2.046 3.031 . 0 0 "[ . 1 . 2]" 1
5 1 3 MET HA 1 3 MET QG 2.200 . 2.900 2.206 1.933 2.821 . 0 0 "[ . 1 . 2]" 1
6 1 3 MET HA 1 4 VAL H 2.100 . 2.700 2.267 2.103 2.629 . 0 0 "[ . 1 . 2]" 1
7 1 4 VAL H 1 4 VAL HA 2.500 . 3.300 2.903 2.827 2.945 . 0 0 "[ . 1 . 2]" 1
8 1 4 VAL H 1 4 VAL HB 2.500 . 3.300 2.949 2.400 3.325 0.025 15 0 "[ . 1 . 2]" 1
9 1 4 VAL H 1 4 VAL MG2 2.300 . 3.000 2.575 1.748 3.947 0.947 19 7 "[ * . * 1 -* . *+*]" 1
10 1 4 VAL HA 1 4 VAL HB 2.400 . 3.100 2.775 2.310 3.015 . 0 0 "[ . 1 . 2]" 1
11 1 4 VAL HA 1 4 VAL QG 2.100 . 2.700 2.149 1.931 2.508 . 0 0 "[ . 1 . 2]" 1
12 1 4 VAL HA 1 5 LEU H 1.900 . 2.300 2.191 2.084 2.373 0.073 14 0 "[ . 1 . 2]" 1
13 1 4 VAL HB 1 4 VAL QG 2.000 . 2.500 1.875 1.851 1.892 . 0 0 "[ . 1 . 2]" 1
14 1 4 VAL HB 1 5 LEU H 2.800 . 3.900 3.793 2.754 3.960 0.060 20 0 "[ . 1 . 2]" 1
15 1 4 VAL MG1 1 5 LEU H 2.500 . 3.300 2.861 1.996 3.896 0.596 12 2 "[ . 1 + . -]" 1
16 1 5 LEU H 1 5 LEU HA 2.600 . 3.400 2.893 2.766 2.946 . 0 0 "[ . 1 . 2]" 1
17 1 5 LEU H 1 5 LEU HB2 2.700 . 3.600 2.290 2.033 3.602 0.002 7 0 "[ . 1 . 2]" 1
18 1 5 LEU H 1 5 LEU HB3 2.300 . 3.600 3.307 3.058 3.576 . 0 0 "[ . 1 . 2]" 1
19 1 5 LEU H 1 5 LEU HG 3.000 . 4.200 3.903 1.969 4.248 0.048 17 0 "[ . 1 . 2]" 1
20 1 5 LEU HA 1 5 LEU HB2 2.600 . 3.400 2.864 2.665 3.016 . 0 0 "[ . 1 . 2]" 1
21 1 5 LEU HA 1 5 LEU MD1 2.500 . 3.300 3.258 2.456 4.124 0.824 7 1 "[ . + 1 . 2]" 1
22 1 5 LEU HA 1 5 LEU MD2 2.300 . 6.000 3.154 1.718 3.493 . 0 0 "[ . 1 . 2]" 1
23 1 5 LEU HA 1 5 LEU HG 2.900 . 4.500 2.346 2.011 3.620 . 0 0 "[ . 1 . 2]" 1
24 1 5 LEU HA 1 6 ASN H 2.100 . 3.300 2.338 2.082 2.838 . 0 0 "[ . 1 . 2]" 1
25 1 5 LEU HB2 1 5 LEU MD1 2.400 . 3.200 2.171 1.892 3.180 . 0 0 "[ . 1 . 2]" 1
26 1 5 LEU HB2 1 5 LEU MD2 2.400 . 3.100 2.863 2.432 3.094 . 0 0 "[ . 1 . 2]" 1
27 1 5 LEU HB2 1 6 ASN H 3.000 . 4.100 3.999 1.914 4.593 0.493 5 0 "[ . 1 . 2]" 1
28 1 5 LEU HB3 1 5 LEU MD1 2.200 . 3.800 2.869 2.068 3.113 . 0 0 "[ . 1 . 2]" 1
29 1 5 LEU HB3 1 5 LEU MD2 2.500 . 3.800 2.171 1.922 3.186 . 0 0 "[ . 1 . 2]" 1
30 1 5 LEU MD1 1 5 LEU MD2 2.400 . 3.100 2.031 1.886 2.093 . 0 0 "[ . 1 . 2]" 1
31 1 5 LEU MD1 1 5 LEU HG 2.200 . 2.800 2.103 2.072 2.125 . 0 0 "[ . 1 . 2]" 1
32 1 5 LEU MD1 1 6 ASN H 2.800 . 4.100 3.203 1.678 4.143 0.122 17 0 "[ . 1 . 2]" 1
33 1 5 LEU MD1 1 19 SER H 2.700 . 6.000 4.784 3.869 5.527 . 0 0 "[ . 1 . 2]" 1
34 1 5 LEU MD1 1 19 SER HA 2.500 . 3.300 2.666 1.830 3.299 . 0 0 "[ . 1 . 2]" 1
35 1 5 LEU MD2 1 5 LEU HG 2.200 . 2.800 2.110 2.080 2.125 . 0 0 "[ . 1 . 2]" 1
36 1 5 LEU MD2 1 6 ASN H 2.500 . 3.600 3.409 2.849 4.516 0.916 7 1 "[ . + 1 . 2]" 1
37 1 5 LEU MD2 1 19 SER H 2.800 . 6.000 5.187 4.265 5.846 . 0 0 "[ . 1 . 2]" 1
38 1 5 LEU MD2 1 19 SER HA 2.600 . 3.400 2.918 1.908 3.409 0.009 15 0 "[ . 1 . 2]" 1
39 1 5 LEU HG 1 6 ASN H 3.000 . 4.100 3.625 2.918 4.165 0.065 17 0 "[ . 1 . 2]" 1
40 1 6 ASN H 1 6 ASN HB3 2.700 . 3.600 2.890 2.208 3.442 . 0 0 "[ . 1 . 2]" 1
41 1 6 ASN HA 1 6 ASN HB2 2.800 . 3.800 2.594 2.261 2.904 . 0 0 "[ . 1 . 2]" 1
42 1 6 ASN HA 1 7 CYS H 2.500 . 3.300 2.294 2.042 3.077 . 0 0 "[ . 1 . 2]" 1
43 1 6 ASN HB2 1 7 CYS H 2.900 . 4.000 4.203 3.295 4.613 0.613 13 5 "[ . 1* + .*- *]" 1
44 1 7 CYS H 1 7 CYS HA 2.700 . 3.600 2.909 2.827 2.943 . 0 0 "[ . 1 . 2]" 1
45 1 7 CYS H 1 7 CYS HB2 2.800 . 3.800 3.301 2.990 3.581 . 0 0 "[ . 1 . 2]" 1
46 1 7 CYS H 1 7 CYS HB3 2.600 . 3.500 3.565 3.122 3.962 0.462 10 0 "[ . 1 . 2]" 1
47 1 7 CYS H 1 7 CYS HB3 2.600 . 3.500 2.686 2.276 3.118 . 0 0 "[ . 1 . 2]" 1
48 1 7 CYS HA 1 7 CYS HB2 2.400 . 3.100 2.747 2.507 3.002 . 0 0 "[ . 1 . 2]" 1
49 1 7 CYS HA 1 7 CYS HB3 2.500 . 3.300 2.278 2.218 2.395 . 0 0 "[ . 1 . 2]" 1
50 1 7 CYS HA 1 8 THR H 2.200 . 3.300 2.355 2.128 2.721 . 0 0 "[ . 1 . 2]" 1
51 1 7 CYS HA 1 8 THR MG 2.900 . 4.500 3.922 3.615 4.329 . 0 0 "[ . 1 . 2]" 1
52 1 7 CYS HB2 1 8 THR H 2.400 . 3.100 2.737 1.748 3.230 0.130 7 0 "[ . 1 . 2]" 1
53 1 7 CYS HB2 1 11 GLN HB2 2.500 . 3.300 2.989 2.375 3.618 0.318 11 0 "[ . 1 . 2]" 1
54 1 7 CYS HB2 1 11 GLN HB3 2.600 . 3.400 3.347 2.740 4.013 0.613 15 4 "[ . * - * + 2]" 1
55 1 7 CYS HB2 1 20 CYS HB3 2.800 . 3.800 2.991 2.657 3.337 . 0 0 "[ . 1 . 2]" 1
56 1 7 CYS HB3 1 8 THR H 2.600 . 3.500 2.761 2.526 3.220 . 0 0 "[ . 1 . 2]" 1
57 1 7 CYS HB3 1 11 GLN HB2 2.700 . 3.600 3.450 2.952 3.648 0.048 13 0 "[ . 1 . 2]" 1
58 1 7 CYS HB3 1 11 GLN HB3 2.900 . 4.000 3.318 2.842 3.783 . 0 0 "[ . 1 . 2]" 1
59 1 8 THR H 1 8 THR HA 2.600 . 3.400 2.912 2.857 2.942 . 0 0 "[ . 1 . 2]" 1
60 1 8 THR H 1 8 THR MG 2.100 . 2.800 2.463 1.989 2.846 0.046 8 0 "[ . 1 . 2]" 1
61 1 8 THR H 1 11 GLN H 2.900 . 4.000 3.587 2.952 4.014 0.014 8 0 "[ . 1 . 2]" 1
62 1 8 THR H 1 11 GLN HB2 2.500 . 3.300 2.415 1.833 2.818 . 0 0 "[ . 1 . 2]" 1
63 1 8 THR H 1 11 GLN HB3 0.000 . 4.200 3.843 3.348 4.207 0.007 10 0 "[ . 1 . 2]" 1
64 1 8 THR H 1 11 GLN HG3 2.700 . 6.000 4.138 3.290 4.651 . 0 0 "[ . 1 . 2]" 1
65 1 8 THR HA 1 8 THR MG 2.200 . 3.800 2.786 2.091 3.232 . 0 0 "[ . 1 . 2]" 1
66 1 8 THR HA 1 9 SER H 2.600 . 3.600 2.594 2.422 2.845 . 0 0 "[ . 1 . 2]" 1
67 1 8 THR MG 1 9 SER H 3.000 . 5.000 3.178 2.445 3.560 . 0 0 "[ . 1 . 2]" 1
68 1 8 THR MG 1 11 GLN HE21 0.000 . 6.000 4.574 2.498 5.895 . 0 0 "[ . 1 . 2]" 1
69 1 8 THR MG 1 11 GLN HE22 0.000 . 6.000 4.159 2.874 5.616 . 0 0 "[ . 1 . 2]" 1
70 1 8 THR MG 1 11 GLN HG2 0.000 . 6.000 4.988 3.783 6.140 0.140 8 0 "[ . 1 . 2]" 1
71 1 9 SER H 1 9 SER HA 2.700 . 3.600 2.858 2.821 2.900 . 0 0 "[ . 1 . 2]" 1
72 1 9 SER H 1 9 SER HB2 2.200 . 4.500 2.627 2.408 2.699 . 0 0 "[ . 1 . 2]" 1
73 1 9 SER H 1 9 SER HB3 2.800 . 4.500 3.442 3.294 3.616 . 0 0 "[ . 1 . 2]" 1
74 1 9 SER HA 1 9 SER HB2 2.200 . 3.300 2.926 2.859 3.018 . 0 0 "[ . 1 . 2]" 1
75 1 9 SER HA 1 9 SER HB3 2.300 . 3.300 2.268 2.236 2.401 . 0 0 "[ . 1 . 2]" 1
76 1 9 SER HA 1 10 ALA H 2.900 . 4.000 3.383 3.158 3.464 . 0 0 "[ . 1 . 2]" 1
77 1 9 SER HB2 1 10 ALA H 0.000 . 4.500 3.410 3.216 3.795 . 0 0 "[ . 1 . 2]" 1
78 1 10 ALA H 1 10 ALA HA 2.700 . 3.600 2.893 2.852 2.947 . 0 0 "[ . 1 . 2]" 1
79 1 10 ALA H 1 10 ALA MB 2.200 . 2.900 2.189 2.052 2.352 . 0 0 "[ . 1 . 2]" 1
80 1 10 ALA H 1 11 GLN H 2.800 . 3.800 2.369 2.108 2.513 . 0 0 "[ . 1 . 2]" 1
81 1 10 ALA HA 1 10 ALA MB 2.100 . 2.600 2.102 2.080 2.131 . 0 0 "[ . 1 . 2]" 1
82 1 10 ALA HA 1 11 GLN H 2.900 . 4.500 3.401 3.162 3.542 . 0 0 "[ . 1 . 2]" 1
83 1 10 ALA MB 1 11 GLN H 2.600 . 3.500 3.040 2.697 3.420 . 0 0 "[ . 1 . 2]" 1
84 1 10 ALA MB 1 11 GLN HG2 2.800 . 5.000 5.300 4.700 5.687 0.687 9 7 "[ . *+* - *. ** 2]" 1
85 1 10 ALA MB 1 23 SER H 3.000 . 6.000 5.125 4.612 5.635 . 0 0 "[ . 1 . 2]" 1
86 1 11 GLN H 1 11 GLN HA 2.800 . 3.800 2.899 2.858 2.942 . 0 0 "[ . 1 . 2]" 1
87 1 11 GLN H 1 11 GLN HB2 2.400 . 3.100 2.213 2.112 2.431 . 0 0 "[ . 1 . 2]" 1
88 1 11 GLN H 1 11 GLN HB3 2.700 . 3.600 3.449 3.321 3.600 . 0 0 "[ . 1 . 2]" 1
89 1 11 GLN H 1 11 GLN HG2 2.800 . 4.500 4.394 4.009 4.548 0.048 6 0 "[ . 1 . 2]" 1
90 1 11 GLN H 1 11 GLN HG3 2.900 . 4.500 3.494 3.068 4.003 . 0 0 "[ . 1 . 2]" 1
91 1 11 GLN HA 1 11 GLN HB2 2.500 . 3.300 2.957 2.913 2.991 . 0 0 "[ . 1 . 2]" 1
92 1 11 GLN HA 1 11 GLN HB3 2.600 . 6.000 2.715 2.643 2.786 . 0 0 "[ . 1 . 2]" 1
93 1 11 GLN HA 1 11 GLN HG2 2.800 . 4.000 2.771 2.181 3.498 . 0 0 "[ . 1 . 2]" 1
94 1 11 GLN HA 1 11 GLN HG3 2.900 . 3.700 2.404 2.114 3.024 . 0 0 "[ . 1 . 2]" 1
95 1 11 GLN HA 1 12 PHE H 2.300 . 3.000 2.387 2.271 2.551 . 0 0 "[ . 1 . 2]" 1
96 1 11 GLN HA 1 23 SER H 2.100 . 3.500 3.024 2.373 3.285 . 0 0 "[ . 1 . 2]" 1
97 1 11 GLN HB2 1 12 PHE H 3.000 . 4.100 3.954 3.623 4.108 0.008 14 0 "[ . 1 . 2]" 1
98 1 11 GLN HB2 1 20 CYS HB3 2.900 . 4.500 4.325 3.870 4.523 0.023 18 0 "[ . 1 . 2]" 1
99 1 11 GLN HB3 1 11 GLN HG2 2.600 . 3.500 2.327 2.217 2.607 . 0 0 "[ . 1 . 2]" 1
100 1 11 GLN HB3 1 11 GLN HG3 2.500 . 3.300 2.930 2.622 3.008 . 0 0 "[ . 1 . 2]" 1
101 1 11 GLN HB3 1 12 PHE H 2.400 . 6.000 2.612 2.153 2.869 . 0 0 "[ . 1 . 2]" 1
102 1 11 GLN HB3 1 20 CYS HB2 2.800 . 3.900 3.460 2.781 3.926 0.026 1 0 "[ . 1 . 2]" 1
103 1 11 GLN HB3 1 20 CYS HB3 2.600 . 6.000 3.323 2.696 4.068 . 0 0 "[ . 1 . 2]" 1
104 1 11 GLN HB3 1 21 ILE H 3.000 . 6.000 4.167 3.876 4.611 . 0 0 "[ . 1 . 2]" 1
105 1 11 GLN HE21 1 11 GLN HG2 2.600 . 3.400 2.560 2.114 3.095 . 0 0 "[ . 1 . 2]" 1
106 1 11 GLN HE21 1 11 GLN HG3 2.300 . 3.000 2.600 2.123 3.159 0.159 18 0 "[ . 1 . 2]" 1
107 1 11 GLN HE22 1 11 GLN HG2 2.800 . 3.800 3.621 3.422 3.846 0.046 16 0 "[ . 1 . 2]" 1
108 1 11 GLN HG2 1 23 SER H 2.800 . 3.800 3.831 2.983 4.515 0.715 4 3 "[- +. 1 . *]" 1
109 1 11 GLN HG3 1 12 PHE H 3.000 . 6.000 4.030 3.278 4.588 . 0 0 "[ . 1 . 2]" 1
110 1 11 GLN HG3 1 23 SER H 0.000 . 4.500 3.764 2.615 4.512 0.012 3 0 "[ . 1 . 2]" 1
111 1 12 PHE H 1 12 PHE HB2 2.600 . 3.400 2.829 2.717 2.955 . 0 0 "[ . 1 . 2]" 1
112 1 12 PHE H 1 12 PHE HB3 2.400 . 3.100 2.524 2.387 2.639 . 0 0 "[ . 1 . 2]" 1
113 1 12 PHE H 1 12 PHE QD 2.900 . 6.000 4.237 4.168 4.307 . 0 0 "[ . 1 . 2]" 1
114 1 12 PHE H 1 21 ILE H 2.600 . 3.800 3.719 3.545 3.818 0.018 5 0 "[ . 1 . 2]" 1
115 1 12 PHE H 1 21 ILE HG12 2.900 . 6.000 5.424 4.930 5.707 . 0 0 "[ . 1 . 2]" 1
116 1 12 PHE H 1 23 SER H 2.800 . 3.900 3.776 3.283 3.936 0.036 5 0 "[ . 1 . 2]" 1
117 1 12 PHE H 1 23 SER HA 2.800 . 4.500 3.771 3.410 4.210 . 0 0 "[ . 1 . 2]" 1
118 1 12 PHE HA 1 12 PHE QD 2.700 . 3.600 2.602 2.389 2.813 . 0 0 "[ . 1 . 2]" 1
119 1 12 PHE HA 1 13 LYS H 2.400 . 3.100 2.129 2.096 2.154 . 0 0 "[ . 1 . 2]" 1
120 1 12 PHE HB2 1 12 PHE QD 2.100 . 2.700 2.515 2.423 2.615 . 0 0 "[ . 1 . 2]" 1
121 1 12 PHE HB2 1 21 ILE MD 2.900 . 5.000 3.626 3.259 4.229 . 0 0 "[ . 1 . 2]" 1
122 1 12 PHE HB2 1 21 ILE HG12 2.900 . 6.000 5.563 5.019 5.883 . 0 0 "[ . 1 . 2]" 1
123 1 12 PHE HB2 1 21 ILE QG 3.000 . 4.200 4.008 3.626 4.213 0.013 5 0 "[ . 1 . 2]" 1
124 1 12 PHE HB2 1 23 SER HA 2.600 . 3.400 2.987 2.274 3.407 0.007 4 0 "[ . 1 . 2]" 1
125 1 12 PHE HB2 1 26 ARG HB2 3.000 . 4.100 3.571 3.024 4.078 . 0 0 "[ . 1 . 2]" 1
126 1 12 PHE HB3 1 12 PHE QD 2.100 . 2.700 2.307 2.276 2.361 . 0 0 "[ . 1 . 2]" 1
127 1 12 PHE HB3 1 21 ILE MD 2.700 . 3.600 2.519 1.951 2.983 . 0 0 "[ . 1 . 2]" 1
128 1 12 PHE HB3 1 23 SER HA 2.700 . 3.800 3.701 3.244 3.819 0.019 2 0 "[ . 1 . 2]" 1
129 1 12 PHE QD 1 13 LYS H 2.600 . 6.000 3.644 3.272 4.025 . 0 0 "[ . 1 . 2]" 1
130 1 12 PHE QD 1 14 CYS HA 2.900 . 5.000 4.241 3.861 4.470 . 0 0 "[ . 1 . 2]" 1
131 1 12 PHE QD 1 21 ILE H 3.000 . 5.000 3.744 3.267 3.944 . 0 0 "[ . 1 . 2]" 1
132 1 12 PHE QD 1 21 ILE MD 2.200 . 5.800 2.227 1.686 2.826 . 0 0 "[ . 1 . 2]" 1
133 1 12 PHE QD 1 21 ILE HG12 2.400 . 3.100 2.934 2.209 3.489 0.389 8 0 "[ . 1 . 2]" 1
134 1 12 PHE QD 1 21 ILE MG 3.000 . 6.000 4.522 3.927 4.914 . 0 0 "[ . 1 . 2]" 1
135 1 12 PHE QD 1 23 SER HA 2.900 . 6.000 4.796 4.097 5.180 . 0 0 "[ . 1 . 2]" 1
136 1 12 PHE QD 1 26 ARG HD3 2.700 . 3.700 3.402 3.036 3.709 0.009 2 0 "[ . 1 . 2]" 1
137 1 12 PHE QD 1 38 ASP HA 2.800 . 3.900 3.550 2.914 3.915 0.015 10 0 "[ . 1 . 2]" 1
138 1 12 PHE QD 1 38 ASP HB2 3.000 . 4.100 3.949 2.696 4.137 0.037 18 0 "[ . 1 . 2]" 1
139 1 12 PHE QD 1 38 ASP HB3 2.600 . 3.500 3.118 2.790 3.484 . 0 0 "[ . 1 . 2]" 1
140 1 12 PHE QE 1 14 CYS HA 2.200 . 3.300 3.280 2.885 3.327 0.027 9 0 "[ . 1 . 2]" 1
141 1 12 PHE QE 1 15 ALA H 2.700 . 6.000 4.609 3.809 5.079 . 0 0 "[ . 1 . 2]" 1
142 1 12 PHE QE 1 15 ALA MB 2.800 . 6.000 5.024 4.383 5.532 . 0 0 "[ . 1 . 2]" 1
143 1 12 PHE QE 1 21 ILE MD 2.800 . 5.000 3.661 3.020 4.312 . 0 0 "[ . 1 . 2]" 1
144 1 12 PHE QE 1 26 ARG HD3 2.900 . 4.000 3.707 2.919 4.039 0.039 1 0 "[ . 1 . 2]" 1
145 1 12 PHE QE 1 38 ASP HB2 2.700 . 3.800 3.721 2.636 3.951 0.151 17 0 "[ . 1 . 2]" 1
146 1 12 PHE QE 1 37 SER QB 2.800 . 6.000 2.569 2.206 2.853 . 0 0 "[ . 1 . 2]" 1
147 1 12 PHE QE 1 38 ASP H 2.700 . 3.600 3.237 2.937 3.559 . 0 0 "[ . 1 . 2]" 1
148 1 12 PHE QE 1 38 ASP HA 2.200 . 2.900 2.400 1.893 2.860 . 0 0 "[ . 1 . 2]" 1
149 1 12 PHE QE 1 38 ASP HB3 2.500 . 3.300 2.779 2.419 3.309 0.009 7 0 "[ . 1 . 2]" 1
150 1 12 PHE HZ 1 14 CYS HA 3.000 . 5.000 4.413 3.797 4.963 . 0 0 "[ . 1 . 2]" 1
151 1 12 PHE HZ 1 38 ASP HA 2.600 . 3.600 3.316 2.832 3.608 0.008 7 0 "[ . 1 . 2]" 1
152 1 13 LYS H 1 13 LYS HA 2.600 . 3.400 2.902 2.872 2.930 . 0 0 "[ . 1 . 2]" 1
153 1 13 LYS H 1 13 LYS QB 2.200 . 2.800 2.275 2.206 2.348 . 0 0 "[ . 1 . 2]" 1
154 1 13 LYS H 1 13 LYS HD3 2.800 . 3.900 3.875 3.509 4.083 0.183 6 0 "[ . 1 . 2]" 1
155 1 13 LYS H 1 13 LYS QG 2.200 . 6.000 4.016 3.881 4.088 . 0 0 "[ . 1 . 2]" 1
156 1 13 LYS HA 1 13 LYS QD 2.600 . 3.400 3.022 2.105 3.551 0.151 8 0 "[ . 1 . 2]" 1
157 1 13 LYS HA 1 13 LYS QG 2.500 . 2.900 2.328 2.077 2.814 . 0 0 "[ . 1 . 2]" 1
158 1 13 LYS HA 1 14 CYS H 1.900 . 2.400 2.215 2.138 2.299 . 0 0 "[ . 1 . 2]" 1
159 1 13 LYS HA 1 14 CYS HB3 2.900 . 6.000 5.499 5.049 5.697 . 0 0 "[ . 1 . 2]" 1
160 1 13 LYS HA 1 20 CYS HB2 2.500 . 6.000 4.060 3.573 4.349 . 0 0 "[ . 1 . 2]" 1
161 1 13 LYS HA 1 20 CYS HA 2.300 . 2.900 2.308 2.013 2.729 . 0 0 "[ . 1 . 2]" 1
162 1 13 LYS HA 1 21 ILE H 2.800 . 3.900 3.634 3.411 3.910 0.010 3 0 "[ . 1 . 2]" 1
163 1 13 LYS QB 1 13 LYS QE 2.500 . 6.000 2.950 1.741 3.805 . 0 0 "[ . 1 . 2]" 1
164 1 13 LYS QB 1 13 LYS QG 1.900 . 2.600 2.021 1.991 2.041 . 0 0 "[ . 1 . 2]" 1
165 1 13 LYS QB 1 14 CYS H 2.700 . 4.500 3.515 3.194 3.781 . 0 0 "[ . 1 . 2]" 1
166 1 13 LYS QB 1 17 GLY HA2 3.000 . 5.000 4.077 2.738 4.994 . 0 0 "[ . 1 . 2]" 1
167 1 13 LYS QD 1 13 LYS QE 3.000 . 4.100 2.031 1.991 2.085 . 0 0 "[ . 1 . 2]" 1
168 1 13 LYS QD 1 14 CYS H 2.600 . 4.000 3.623 2.361 4.026 0.026 9 0 "[ . 1 . 2]" 1
169 1 13 LYS QD 1 17 GLY HA2 0.000 . 6.000 3.307 1.656 4.646 . 0 0 "[ . 1 . 2]" 1
170 1 13 LYS HD2 1 13 LYS QG 2.000 . 2.500 2.033 1.930 2.138 . 0 0 "[ . 1 . 2]" 1
171 1 13 LYS QG 1 14 CYS H 2.600 . 3.500 2.383 2.084 2.721 . 0 0 "[ . 1 . 2]" 1
172 1 13 LYS QG 1 17 GLY HA2 0.000 . 3.000 2.444 1.902 2.982 . 0 0 "[ . 1 . 2]" 1
173 1 14 CYS H 1 14 CYS HA 2.600 . 3.400 2.800 2.753 2.855 . 0 0 "[ . 1 . 2]" 1
174 1 14 CYS H 1 14 CYS HB2 2.300 . 3.000 2.152 2.031 2.502 . 0 0 "[ . 1 . 2]" 1
175 1 14 CYS H 1 14 CYS HB3 2.500 . 3.300 3.314 2.913 3.460 0.160 20 0 "[ . 1 . 2]" 1
176 1 14 CYS H 1 19 SER H 2.700 . 6.000 3.573 3.093 4.258 . 0 0 "[ . 1 . 2]" 1
177 1 14 CYS H 1 20 CYS HA 2.500 . 3.400 3.104 2.750 3.346 . 0 0 "[ . 1 . 2]" 1
178 1 14 CYS H 1 20 CYS HB2 2.600 . 6.000 5.671 5.303 6.008 0.008 12 0 "[ . 1 . 2]" 1
179 1 14 CYS HA 1 14 CYS HB2 2.800 . 3.700 2.919 2.657 3.024 . 0 0 "[ . 1 . 2]" 1
180 1 14 CYS HA 1 14 CYS HB3 2.700 . 3.600 2.711 2.416 2.987 . 0 0 "[ . 1 . 2]" 1
181 1 14 CYS HA 1 15 ALA H 2.200 . 2.800 2.408 2.250 2.560 . 0 0 "[ . 1 . 2]" 1
182 1 14 CYS HA 1 15 ALA MB 3.000 . 6.000 4.107 3.980 4.224 . 0 0 "[ . 1 . 2]" 1
183 1 14 CYS HB2 1 18 SER H 0.000 . 4.500 2.880 2.028 4.173 . 0 0 "[ . 1 . 2]" 1
184 1 14 CYS HB2 1 19 SER H 2.300 . 3.000 2.388 1.983 3.008 0.008 5 0 "[ . 1 . 2]" 1
185 1 14 CYS HB2 1 33 CYS HB3 3.000 . 6.000 5.075 3.900 6.012 0.012 17 0 "[ . 1 . 2]" 1
186 1 14 CYS HB3 1 15 ALA H 2.700 . 3.600 2.785 2.344 3.583 . 0 0 "[ . 1 . 2]" 1
187 1 14 CYS HB3 1 15 ALA MB 2.900 . 6.000 4.148 3.692 4.766 . 0 0 "[ . 1 . 2]" 1
188 1 14 CYS HB3 1 16 ASP H 2.800 . 3.800 2.836 2.504 3.274 . 0 0 "[ . 1 . 2]" 1
189 1 14 CYS HB3 1 18 SER H 0.000 . 4.500 2.944 2.348 3.642 . 0 0 "[ . 1 . 2]" 1
190 1 14 CYS HB3 1 19 SER H 2.600 . 3.500 3.392 2.754 3.537 0.037 8 0 "[ . 1 . 2]" 1
191 1 15 ALA H 1 15 ALA HA 2.300 . 3.000 2.825 2.790 2.848 . 0 0 "[ . 1 . 2]" 1
192 1 15 ALA H 1 15 ALA MB 2.200 . 2.800 2.140 2.029 2.255 . 0 0 "[ . 1 . 2]" 1
193 1 15 ALA H 1 16 ASP H 2.500 . 3.300 2.665 2.512 2.810 . 0 0 "[ . 1 . 2]" 1
194 1 15 ALA H 1 37 SER H 2.700 . 6.000 4.357 3.943 5.146 . 0 0 "[ . 1 . 2]" 1
195 1 15 ALA H 1 37 SER HA 2.800 . 6.000 5.355 4.557 5.922 . 0 0 "[ . 1 . 2]" 1
196 1 15 ALA H 1 37 SER QB 2.500 . 3.300 2.867 2.211 3.309 0.009 1 0 "[ . 1 . 2]" 1
197 1 15 ALA HA 1 15 ALA MB 1.900 . 2.300 2.103 2.077 2.124 . 0 0 "[ . 1 . 2]" 1
198 1 15 ALA HA 1 16 ASP H 2.600 . 3.600 3.525 3.455 3.572 . 0 0 "[ . 1 . 2]" 1
199 1 15 ALA HA 1 17 GLY H 2.800 . 4.000 3.952 3.672 4.029 0.029 9 0 "[ . 1 . 2]" 1
200 1 15 ALA MB 1 16 ASP H 2.200 . 2.800 2.656 2.410 2.809 0.009 14 0 "[ . 1 . 2]" 1
201 1 15 ALA MB 1 17 GLY H 3.000 . 9.000 4.254 4.134 4.429 . 0 0 "[ . 1 . 2]" 1
202 1 15 ALA MB 1 36 ASN H 2.500 . 6.000 5.461 4.092 6.018 0.018 10 0 "[ . 1 . 2]" 1
203 1 15 ALA MB 1 37 SER H 2.700 . 6.000 4.295 3.999 5.095 . 0 0 "[ . 1 . 2]" 1
204 1 15 ALA MB 1 37 SER QB 2.300 . 2.900 2.493 1.880 2.900 . 0 0 "[ . 1 . 2]" 1
205 1 16 ASP H 1 16 ASP HA 2.200 . 2.900 2.877 2.840 2.928 0.028 16 0 "[ . 1 . 2]" 1
206 1 16 ASP H 1 16 ASP HB2 2.500 . 3.300 2.593 2.341 3.006 . 0 0 "[ . 1 . 2]" 1
207 1 16 ASP H 1 16 ASP HB3 2.300 . 3.000 2.540 2.122 2.967 . 0 0 "[ . 1 . 2]" 1
208 1 16 ASP H 1 17 GLY H 2.300 . 2.900 2.431 2.286 2.544 . 0 0 "[ . 1 . 2]" 1
209 1 16 ASP HA 1 17 GLY H 2.700 . 3.600 3.400 3.138 3.483 . 0 0 "[ . 1 . 2]" 1
210 1 17 GLY H 1 17 GLY HA2 2.100 . 2.600 2.328 2.301 2.366 . 0 0 "[ . 1 . 2]" 1
211 1 17 GLY H 1 17 GLY HA3 2.500 . 3.300 2.891 2.821 2.926 . 0 0 "[ . 1 . 2]" 1
212 1 17 GLY H 1 18 SER H 0.000 . 3.400 2.407 2.211 2.648 . 0 0 "[ . 1 . 2]" 1
213 1 17 GLY HA2 1 18 SER H 0.000 . 4.200 3.045 2.847 3.186 . 0 0 "[ . 1 . 2]" 1
214 1 17 GLY HA3 1 18 SER H 0.000 . 4.200 3.432 3.353 3.521 . 0 0 "[ . 1 . 2]" 1
215 1 18 SER H 1 18 SER QB 0.000 . 3.600 2.877 2.641 3.031 . 0 0 "[ . 1 . 2]" 1
216 1 18 SER H 1 19 SER H 0.000 . 3.600 2.688 2.346 3.161 . 0 0 "[ . 1 . 2]" 1
217 1 18 SER HA 1 19 SER H 0.000 . 4.500 3.526 3.276 3.579 . 0 0 "[ . 1 . 2]" 1
218 1 18 SER QB 1 19 SER H 0.000 . 5.000 2.639 1.816 3.724 . 0 0 "[ . 1 . 2]" 1
219 1 18 SER QB 1 19 SER H 2.800 . 3.500 2.439 1.801 3.025 . 0 0 "[ . 1 . 2]" 1
220 1 19 SER H 1 19 SER HA 2.300 . 3.000 2.918 2.886 2.941 . 0 0 "[ . 1 . 2]" 1
221 1 19 SER HA 1 19 SER QB 2.500 . 3.400 2.203 2.157 2.385 . 0 0 "[ . 1 . 2]" 1
222 1 19 SER HA 1 20 CYS H 2.000 . 2.500 2.409 2.218 2.519 0.019 14 0 "[ . 1 . 2]" 1
223 1 19 SER QB 1 20 CYS H 2.600 . 3.400 2.537 2.146 3.029 . 0 0 "[ . 1 . 2]" 1
224 1 19 SER QB 1 21 ILE MG 2.700 . 5.000 3.544 2.973 3.936 . 0 0 "[ . 1 . 2]" 1
225 1 20 CYS H 1 20 CYS HA 2.700 . 3.600 2.934 2.919 2.949 . 0 0 "[ . 1 . 2]" 1
226 1 20 CYS H 1 20 CYS HB2 2.500 . 3.400 3.203 2.806 3.418 0.018 20 0 "[ . 1 . 2]" 1
227 1 20 CYS H 1 20 CYS HB3 2.900 . 4.000 3.810 3.693 3.906 . 0 0 "[ . 1 . 2]" 1
228 1 20 CYS HA 1 20 CYS HB2 2.600 . 3.400 2.908 2.810 3.024 . 0 0 "[ . 1 . 2]" 1
229 1 20 CYS HA 1 20 CYS HB3 2.400 . 3.100 2.275 2.228 2.422 . 0 0 "[ . 1 . 2]" 1
230 1 20 CYS HA 1 21 ILE H 2.100 . 2.600 2.140 2.103 2.203 . 0 0 "[ . 1 . 2]" 1
231 1 20 CYS HA 1 21 ILE MG 3.000 . 6.000 4.110 3.752 4.400 . 0 0 "[ . 1 . 2]" 1
232 1 20 CYS HB2 1 21 ILE H 2.900 . 4.000 3.728 3.375 4.030 0.030 17 0 "[ . 1 . 2]" 1
233 1 20 CYS HB3 1 21 ILE H 2.800 . 3.800 3.495 3.096 3.821 0.021 8 0 "[ . 1 . 2]" 1
234 1 21 ILE H 1 21 ILE HA 2.700 . 3.600 2.942 2.917 2.952 . 0 0 "[ . 1 . 2]" 1
235 1 21 ILE H 1 21 ILE HB 2.900 . 4.000 3.673 3.594 3.753 . 0 0 "[ . 1 . 2]" 1
236 1 21 ILE H 1 21 ILE MD 2.900 . 4.500 3.627 3.423 3.856 . 0 0 "[ . 1 . 2]" 1
237 1 21 ILE H 1 21 ILE HG12 2.500 . 3.300 2.792 2.429 2.999 . 0 0 "[ . 1 . 2]" 1
238 1 21 ILE H 1 21 ILE MG 2.500 . 3.600 3.089 2.584 3.351 . 0 0 "[ . 1 . 2]" 1
239 1 21 ILE HA 1 21 ILE HB 2.200 . 2.800 2.572 2.479 2.639 . 0 0 "[ . 1 . 2]" 1
240 1 21 ILE HA 1 21 ILE MD 2.900 . 5.000 4.082 3.984 4.158 . 0 0 "[ . 1 . 2]" 1
241 1 21 ILE HA 1 21 ILE MG 2.100 . 3.300 2.212 2.046 2.376 . 0 0 "[ . 1 . 2]" 1
242 1 21 ILE HA 1 22 ASN H 2.100 . 2.700 2.475 2.350 2.651 . 0 0 "[ . 1 . 2]" 1
243 1 21 ILE HB 1 21 ILE MD 2.200 . 3.400 2.139 2.004 2.291 . 0 0 "[ . 1 . 2]" 1
244 1 21 ILE HB 1 21 ILE HG13 2.800 . 3.800 2.771 2.579 2.837 . 0 0 "[ . 1 . 2]" 1
245 1 21 ILE HB 1 22 ASN H 2.500 . 3.300 2.297 1.984 2.522 . 0 0 "[ . 1 . 2]" 1
246 1 21 ILE HB 1 22 ASN HB2 2.600 . 6.000 3.525 3.178 3.897 . 0 0 "[ . 1 . 2]" 1
247 1 21 ILE HB 1 25 TYR HB2 3.000 . 4.100 2.642 2.268 3.037 . 0 0 "[ . 1 . 2]" 1
248 1 21 ILE HB 1 25 TYR QD 2.400 . 3.600 3.283 2.028 3.622 0.022 9 0 "[ . 1 . 2]" 1
249 1 21 ILE MD 1 21 ILE HG12 2.300 . 2.900 2.096 2.072 2.117 . 0 0 "[ . 1 . 2]" 1
250 1 21 ILE MD 1 21 ILE HG13 2.200 . 2.800 2.098 2.076 2.119 . 0 0 "[ . 1 . 2]" 1
251 1 21 ILE MD 1 22 ASN H 0.000 . 4.500 3.706 3.441 4.048 . 0 0 "[ . 1 . 2]" 1
252 1 21 ILE MD 1 25 TYR H 3.000 . 5.000 3.628 3.359 4.047 . 0 0 "[ . 1 . 2]" 1
253 1 21 ILE MD 1 25 TYR HB2 2.400 . 3.100 2.287 1.698 2.671 0.002 5 0 "[ . 1 . 2]" 1
254 1 21 ILE MD 1 25 TYR HB3 2.400 . 3.100 2.607 2.190 3.102 0.002 10 0 "[ . 1 . 2]" 1
255 1 21 ILE MD 1 25 TYR QD 2.800 . 5.000 3.786 3.056 4.143 . 0 0 "[ . 1 . 2]" 1
256 1 21 ILE MD 1 26 ARG H 3.100 . 4.300 3.828 3.261 4.306 0.006 4 0 "[ . 1 . 2]" 1
257 1 21 ILE MD 1 26 ARG HA 2.800 . 3.800 3.354 2.754 3.662 . 0 0 "[ . 1 . 2]" 1
258 1 21 ILE MD 1 32 ASP H 0.000 . 6.000 4.407 3.931 4.763 . 0 0 "[ . 1 . 2]" 1
259 1 21 ILE MD 1 32 ASP QB 2.200 . 3.600 2.744 2.214 3.608 0.008 9 0 "[ . 1 . 2]" 1
260 1 21 ILE MD 1 33 CYS H 3.000 . 5.000 4.283 3.380 4.849 . 0 0 "[ . 1 . 2]" 1
261 1 21 ILE MD 1 38 ASP H 3.100 . 6.000 4.706 4.339 4.981 . 0 0 "[ . 1 . 2]" 1
262 1 21 ILE MD 1 38 ASP HA 2.700 . 5.000 3.601 2.996 4.272 . 0 0 "[ . 1 . 2]" 1
263 1 21 ILE MD 1 38 ASP HB2 2.400 . 3.100 2.470 2.088 2.748 . 0 0 "[ . 1 . 2]" 1
264 1 21 ILE MD 1 38 ASP HB3 2.300 . 3.000 2.381 1.960 3.004 0.004 10 0 "[ . 1 . 2]" 1
265 1 21 ILE HG12 1 21 ILE MG 2.400 . 4.000 2.094 1.933 2.238 . 0 0 "[ . 1 . 2]" 1
266 1 21 ILE HG13 1 21 ILE MG 2.300 . 4.000 3.047 2.972 3.167 . 0 0 "[ . 1 . 2]" 1
267 1 21 ILE MG 1 22 ASN H 2.800 . 4.500 3.374 3.142 3.672 . 0 0 "[ . 1 . 2]" 1
268 1 21 ILE MG 1 25 TYR HB2 3.000 . 6.000 3.910 3.582 4.317 . 0 0 "[ . 1 . 2]" 1
269 1 21 ILE MG 1 25 TYR HB3 0.000 . 6.000 3.941 3.404 4.539 . 0 0 "[ . 1 . 2]" 1
270 1 21 ILE MG 1 25 TYR QD 2.900 . 6.000 4.085 3.137 4.562 . 0 0 "[ . 1 . 2]" 1
271 1 21 ILE MG 1 32 ASP H 0.000 . 6.000 4.829 4.293 5.153 . 0 0 "[ . 1 . 2]" 1
272 1 21 ILE MG 1 32 ASP QB 2.300 . 3.000 1.918 1.589 2.673 0.011 1 0 "[ . 1 . 2]" 1
273 1 21 ILE MG 1 33 CYS H 0.000 . 6.000 4.395 3.397 5.007 . 0 0 "[ . 1 . 2]" 1
274 1 21 ILE MG 1 38 ASP HB2 0.000 . 6.000 5.043 4.559 5.552 . 0 0 "[ . 1 . 2]" 1
275 1 22 ASN H 1 22 ASN HA 2.500 . 3.300 2.855 2.802 2.896 . 0 0 "[ . 1 . 2]" 1
276 1 22 ASN H 1 22 ASN HB2 2.200 . 2.800 2.200 2.124 2.325 . 0 0 "[ . 1 . 2]" 1
277 1 22 ASN H 1 22 ASN HB3 2.100 . 6.000 3.217 2.804 3.535 . 0 0 "[ . 1 . 2]" 1
278 1 22 ASN H 1 25 TYR QD 2.400 . 3.100 2.430 1.923 2.977 . 0 0 "[ . 1 . 2]" 1
279 1 22 ASN H 1 25 TYR QE 2.800 . 5.000 3.933 2.773 4.536 . 0 0 "[ . 1 . 2]" 1
280 1 22 ASN HA 1 22 ASN HB3 2.500 . 3.300 2.830 2.634 3.006 . 0 0 "[ . 1 . 2]" 1
281 1 22 ASN HA 1 23 SER H 2.000 . 2.500 2.294 2.228 2.396 . 0 0 "[ . 1 . 2]" 1
282 1 22 ASN HA 1 24 ARG H 2.900 . 4.100 3.942 3.734 4.088 . 0 0 "[ . 1 . 2]" 1
283 1 22 ASN HB2 1 22 ASN HD21 2.400 . 3.100 2.258 1.978 3.001 . 0 0 "[ . 1 . 2]" 1
284 1 22 ASN HB2 1 24 ARG H 2.800 . 3.800 3.887 3.686 4.141 0.341 18 0 "[ . 1 . 2]" 1
285 1 22 ASN HB2 1 24 ARG HG2 2.900 . 3.900 3.220 2.803 3.810 . 0 0 "[ . 1 . 2]" 1
286 1 22 ASN HB2 1 25 TYR H 0.000 . 6.000 4.146 3.650 4.694 . 0 0 "[ . 1 . 2]" 1
287 1 22 ASN HB2 1 25 TYR QD 2.400 . 3.600 2.175 1.692 2.913 0.008 8 0 "[ . 1 . 2]" 1
288 1 22 ASN HB2 1 25 TYR QE 2.400 . 3.100 2.821 2.286 3.442 0.342 14 0 "[ . 1 . 2]" 1
289 1 22 ASN HB3 1 22 ASN HD21 2.500 . 4.000 3.036 2.126 3.459 . 0 0 "[ . 1 . 2]" 1
290 1 22 ASN HB3 1 22 ASN HD22 2.600 . 4.200 3.841 3.441 4.048 . 0 0 "[ . 1 . 2]" 1
291 1 22 ASN HB3 1 23 SER H 2.900 . 6.000 3.061 2.656 3.695 . 0 0 "[ . 1 . 2]" 1
292 1 22 ASN HB3 1 24 ARG H 3.000 . 4.100 2.335 2.105 2.679 . 0 0 "[ . 1 . 2]" 1
293 1 22 ASN HB3 1 25 TYR H 2.900 . 5.000 3.191 2.401 3.688 . 0 0 "[ . 1 . 2]" 1
294 1 22 ASN HB3 1 25 TYR QD 2.900 . 5.000 2.635 1.809 3.594 0.091 7 0 "[ . 1 . 2]" 1
295 1 22 ASN HB3 1 25 TYR QE 2.800 . 6.000 3.751 3.214 4.661 . 0 0 "[ . 1 . 2]" 1
296 1 23 SER H 1 23 SER QB 2.400 . 3.100 2.854 2.608 2.901 . 0 0 "[ . 1 . 2]" 1
297 1 23 SER H 1 24 ARG H 2.500 . 3.300 2.611 2.468 2.727 . 0 0 "[ . 1 . 2]" 1
298 1 23 SER H 1 25 TYR H 0.000 . 6.000 4.117 3.924 4.220 . 0 0 "[ . 1 . 2]" 1
299 1 23 SER HA 1 23 SER QB 1.900 . 2.600 2.182 2.156 2.294 . 0 0 "[ . 1 . 2]" 1
300 1 23 SER HA 1 24 ARG H 2.600 . 3.500 3.427 3.352 3.474 . 0 0 "[ . 1 . 2]" 1
301 1 23 SER HA 1 25 TYR H 2.500 . 4.500 3.185 3.079 3.268 . 0 0 "[ . 1 . 2]" 1
302 1 23 SER HA 1 26 ARG H 2.500 . 3.500 3.424 3.207 3.529 0.029 4 0 "[ . 1 . 2]" 1
303 1 23 SER HA 1 26 ARG HB2 2.800 . 3.800 3.181 2.800 3.622 . 0 0 "[ . 1 . 2]" 1
304 1 23 SER HA 1 26 ARG HB3 2.800 . 3.800 3.713 2.936 3.826 0.026 3 0 "[ . 1 . 2]" 1
305 1 23 SER HA 1 26 ARG HG2 3.000 . 6.000 5.109 4.569 5.453 . 0 0 "[ . 1 . 2]" 1
306 1 24 ARG H 1 24 ARG HA 2.200 . 2.900 2.874 2.845 2.900 . 0 0 "[ . 1 . 2]" 1
307 1 24 ARG H 1 24 ARG HB2 2.600 . 3.700 3.614 3.578 3.646 . 0 0 "[ . 1 . 2]" 1
308 1 24 ARG H 1 24 ARG HB3 2.200 . 2.800 2.624 2.469 2.768 . 0 0 "[ . 1 . 2]" 1
309 1 24 ARG H 1 24 ARG QD 3.000 . 4.100 4.046 3.712 4.187 0.087 14 0 "[ . 1 . 2]" 1
310 1 24 ARG H 1 24 ARG HG2 2.400 . 3.100 2.313 1.878 3.154 0.054 16 0 "[ . 1 . 2]" 1
311 1 24 ARG H 1 24 ARG HG3 2.600 . 3.500 2.968 2.361 3.438 . 0 0 "[ . 1 . 2]" 1
312 1 24 ARG H 1 25 TYR H 2.300 . 3.000 2.455 2.335 2.590 . 0 0 "[ . 1 . 2]" 1
313 1 24 ARG H 1 26 ARG H 0.000 . 6.000 4.105 3.941 4.260 . 0 0 "[ . 1 . 2]" 1
314 1 24 ARG HA 1 24 ARG HB2 2.300 . 3.000 2.434 2.345 2.502 . 0 0 "[ . 1 . 2]" 1
315 1 24 ARG HA 1 24 ARG HB3 2.200 . 2.800 2.462 2.396 2.572 . 0 0 "[ . 1 . 2]" 1
316 1 24 ARG HA 1 24 ARG HG2 2.900 . 4.000 3.883 3.643 4.197 0.197 16 0 "[ . 1 . 2]" 1
317 1 24 ARG HA 1 25 TYR H 2.600 . 3.500 3.360 3.265 3.418 . 0 0 "[ . 1 . 2]" 1
318 1 24 ARG HA 1 26 ARG H 2.900 . 4.000 3.556 3.405 3.754 . 0 0 "[ . 1 . 2]" 1
319 1 24 ARG HB2 1 24 ARG QD 2.700 . 3.600 2.454 1.924 2.784 . 0 0 "[ . 1 . 2]" 1
320 1 24 ARG HB2 1 25 TYR QD 0.000 . 6.000 5.096 4.722 5.413 . 0 0 "[ . 1 . 2]" 1
321 1 24 ARG HB2 1 25 TYR QE 0.000 . 6.000 5.535 5.198 5.894 . 0 0 "[ . 1 . 2]" 1
322 1 24 ARG HB3 1 24 ARG QD 2.500 . 3.300 2.735 2.262 3.293 . 0 0 "[ . 1 . 2]" 1
323 1 24 ARG HB3 1 25 TYR QD 0.000 . 6.000 5.366 5.009 5.595 . 0 0 "[ . 1 . 2]" 1
324 1 24 ARG HB3 1 25 TYR QE 0.000 . 6.000 5.929 5.732 6.020 0.020 14 0 "[ . 1 . 2]" 1
325 1 24 ARG QD 1 24 ARG HG2 2.400 . 3.100 2.304 2.134 2.528 . 0 0 "[ . 1 . 2]" 1
326 1 24 ARG QD 1 24 ARG HG3 2.400 . 3.100 2.256 2.137 2.525 . 0 0 "[ . 1 . 2]" 1
327 1 24 ARG QD 1 25 TYR QE 2.700 . 3.600 3.261 2.814 3.627 0.027 9 0 "[ . 1 . 2]" 1
328 1 24 ARG HG2 1 25 TYR H 3.000 . 4.100 3.487 2.987 4.199 0.099 16 0 "[ . 1 . 2]" 1
329 1 24 ARG HG2 1 25 TYR QD 0.000 . 4.000 3.531 3.026 4.026 0.026 5 0 "[ . 1 . 2]" 1
330 1 24 ARG HG2 1 25 TYR QE 0.000 . 4.000 3.979 3.727 4.116 0.116 17 0 "[ . 1 . 2]" 1
331 1 24 ARG HG3 1 25 TYR H 3.000 . 4.200 2.902 2.334 3.636 . 0 0 "[ . 1 . 2]" 1
332 1 24 ARG HG3 1 25 TYR QD 0.000 . 4.000 2.952 2.304 3.434 . 0 0 "[ . 1 . 2]" 1
333 1 24 ARG HG3 1 25 TYR QE 3.000 . 4.100 3.525 3.081 3.789 . 0 0 "[ . 1 . 2]" 1
334 1 25 TYR H 1 25 TYR HB2 2.400 . 3.100 2.369 2.271 2.488 . 0 0 "[ . 1 . 2]" 1
335 1 25 TYR H 1 25 TYR QD 2.600 . 3.400 3.097 2.543 3.410 0.010 10 0 "[ . 1 . 2]" 1
336 1 25 TYR H 1 26 ARG H 2.300 . 2.900 2.385 2.242 2.544 . 0 0 "[ . 1 . 2]" 1
337 1 25 TYR HA 1 25 TYR HB3 2.900 . 4.000 2.564 2.469 2.624 . 0 0 "[ . 1 . 2]" 1
338 1 25 TYR HA 1 25 TYR QD 2.500 . 3.300 2.580 2.192 3.046 . 0 0 "[ . 1 . 2]" 1
339 1 25 TYR HB2 1 25 TYR QD 2.200 . 2.800 2.313 2.267 2.441 . 0 0 "[ . 1 . 2]" 1
340 1 25 TYR HB2 1 26 ARG H 2.800 . 3.800 3.712 3.225 3.878 0.078 1 0 "[ . 1 . 2]" 1
341 1 25 TYR HB3 1 25 TYR QD 2.300 . 3.000 2.537 2.354 2.676 . 0 0 "[ . 1 . 2]" 1
342 1 25 TYR HB3 1 25 TYR QE 3.000 . 4.500 4.455 4.396 4.496 . 0 0 "[ . 1 . 2]" 1
343 1 26 ARG H 1 26 ARG HA 2.500 . 3.300 2.893 2.831 2.933 . 0 0 "[ . 1 . 2]" 1
344 1 26 ARG H 1 26 ARG HB2 2.200 . 3.600 2.758 2.460 3.024 . 0 0 "[ . 1 . 2]" 1
345 1 26 ARG H 1 26 ARG HB3 2.100 . 3.300 2.448 2.271 2.719 . 0 0 "[ . 1 . 2]" 1
346 1 26 ARG HA 1 26 ARG HB2 2.500 . 3.300 2.442 2.343 2.578 . 0 0 "[ . 1 . 2]" 1
347 1 26 ARG HA 1 26 ARG HB3 2.600 . 3.500 3.024 3.005 3.035 . 0 0 "[ . 1 . 2]" 1
348 1 26 ARG HA 1 26 ARG HD2 2.900 . 4.000 2.846 2.412 3.921 . 0 0 "[ . 1 . 2]" 1
349 1 26 ARG HA 1 26 ARG HD3 3.000 . 4.200 3.435 2.138 4.179 . 0 0 "[ . 1 . 2]" 1
350 1 26 ARG HA 1 27 CYS H 2.000 . 2.500 2.132 2.110 2.189 . 0 0 "[ . 1 . 2]" 1
351 1 26 ARG HA 1 27 CYS HB2 1.900 . 6.000 4.769 4.389 5.162 . 0 0 "[ . 1 . 2]" 1
352 1 26 ARG HA 1 28 ASP H 2.800 . 6.000 4.118 3.864 4.272 . 0 0 "[ . 1 . 2]" 1
353 1 26 ARG HA 1 38 ASP HB3 2.800 . 5.000 4.127 3.958 4.287 . 0 0 "[ . 1 . 2]" 1
354 1 26 ARG HA 1 38 ASP HB2 2.400 . 3.200 3.118 2.721 3.228 0.028 14 0 "[ . 1 . 2]" 1
355 1 26 ARG HB2 1 26 ARG HD3 2.700 . 3.600 2.344 1.974 2.946 . 0 0 "[ . 1 . 2]" 1
356 1 26 ARG HB2 1 26 ARG HG3 2.800 . 3.800 2.947 2.705 3.008 . 0 0 "[ . 1 . 2]" 1
357 1 26 ARG HB2 1 27 CYS H 3.000 . 4.400 4.288 3.994 4.426 0.026 1 0 "[ . 1 . 2]" 1
358 1 26 ARG HB3 1 26 ARG HG2 2.500 . 3.300 2.283 2.213 2.509 . 0 0 "[ . 1 . 2]" 1
359 1 26 ARG HB3 1 26 ARG HG3 2.600 . 3.400 2.652 2.370 2.933 . 0 0 "[ . 1 . 2]" 1
360 1 26 ARG HD2 1 26 ARG HE 3.000 . 4.100 2.676 2.291 2.951 . 0 0 "[ . 1 . 2]" 1
361 1 26 ARG HD2 1 26 ARG HG3 2.700 . 3.600 2.402 2.234 2.763 . 0 0 "[ . 1 . 2]" 1
362 1 26 ARG HD2 1 27 CYS H 3.000 . 4.200 3.596 2.564 4.219 0.019 19 0 "[ . 1 . 2]" 1
363 1 26 ARG HD2 1 38 ASP HA 3.000 . 4.100 3.023 2.256 3.663 . 0 0 "[ . 1 . 2]" 1
364 1 26 ARG HD3 1 26 ARG HE 2.900 . 4.000 2.665 2.280 2.954 . 0 0 "[ . 1 . 2]" 1
365 1 26 ARG HD3 1 26 ARG HG2 2.800 . 3.800 2.543 2.227 2.931 . 0 0 "[ . 1 . 2]" 1
366 1 26 ARG HD3 1 26 ARG HG3 2.900 . 4.000 2.959 2.731 3.019 . 0 0 "[ . 1 . 2]" 1
367 1 26 ARG HE 1 26 ARG HG2 2.800 . 3.800 2.929 2.284 3.613 . 0 0 "[ . 1 . 2]" 1
368 1 26 ARG HE 1 26 ARG HG3 3.000 . 4.200 3.125 2.486 3.932 . 0 0 "[ . 1 . 2]" 1
369 1 26 ARG HG3 1 27 CYS H 3.000 . 4.200 3.044 2.260 3.652 . 0 0 "[ . 1 . 2]" 1
370 1 26 ARG HG3 1 27 CYS HB2 3.000 . 4.200 3.544 2.599 4.382 0.182 19 0 "[ . 1 . 2]" 1
371 1 27 CYS H 1 28 ASP H 2.600 . 3.500 3.118 2.813 3.309 . 0 0 "[ . 1 . 2]" 1
372 1 27 CYS H 1 38 ASP HB2 2.800 . 3.800 3.753 3.353 3.832 0.032 11 0 "[ . 1 . 2]" 1
373 1 27 CYS HB3 1 28 ASP H 2.800 . 4.000 3.726 3.524 3.943 . 0 0 "[ . 1 . 2]" 1
374 1 27 CYS HB3 1 28 ASP HB2 2.100 . 6.000 5.445 5.016 5.740 . 0 0 "[ . 1 . 2]" 1
375 1 28 ASP H 1 28 ASP HB2 3.000 . 4.200 3.844 3.747 3.941 . 0 0 "[ . 1 . 2]" 1
376 1 28 ASP H 1 28 ASP HB3 2.900 . 4.000 3.082 2.660 3.580 . 0 0 "[ . 1 . 2]" 1
377 1 28 ASP H 1 29 GLY H 2.100 . 2.600 1.856 1.619 2.116 . 0 0 "[ . 1 . 2]" 1
378 1 28 ASP H 1 29 GLY HA2 3.000 . 6.000 4.183 3.913 4.484 . 0 0 "[ . 1 . 2]" 1
379 1 28 ASP H 1 30 VAL H 2.900 . 4.000 3.877 3.526 4.016 0.016 15 0 "[ . 1 . 2]" 1
380 1 29 GLY H 1 29 GLY HA2 2.100 . 2.700 2.549 2.415 2.709 0.009 13 0 "[ . 1 . 2]" 1
381 1 29 GLY H 1 29 GLY HA3 2.400 . 3.100 2.943 2.880 2.961 . 0 0 "[ . 1 . 2]" 1
382 1 29 GLY H 1 30 VAL H 2.200 . 2.800 2.510 2.119 2.813 0.013 5 0 "[ . 1 . 2]" 1
383 1 29 GLY HA2 1 30 VAL H 2.600 . 3.600 3.509 3.364 3.557 . 0 0 "[ . 1 . 2]" 1
384 1 30 VAL H 1 30 VAL HA 2.400 . 3.100 2.940 2.908 2.958 . 0 0 "[ . 1 . 2]" 1
385 1 30 VAL H 1 30 VAL HB 2.100 . 2.900 2.691 2.463 2.915 0.015 1 0 "[ . 1 . 2]" 1
386 1 30 VAL H 1 30 VAL QG 2.100 . 6.000 2.378 1.822 2.953 . 0 0 "[ . 1 . 2]" 1
387 1 30 VAL HA 1 30 VAL HB 2.500 . 3.300 2.936 2.499 3.034 . 0 0 "[ . 1 . 2]" 1
388 1 30 VAL HA 1 30 VAL QG 1.800 . 2.900 2.113 1.997 2.190 . 0 0 "[ . 1 . 2]" 1
389 1 30 VAL HA 1 31 TYR H 1.900 . 2.600 2.283 2.138 2.588 . 0 0 "[ . 1 . 2]" 1
390 1 30 VAL HB 1 30 VAL QG 1.800 . 2.200 1.872 1.859 1.888 . 0 0 "[ . 1 . 2]" 1
391 1 30 VAL HB 1 31 TYR H 2.800 . 6.000 3.914 3.023 4.290 . 0 0 "[ . 1 . 2]" 1
392 1 30 VAL QG 1 31 TYR H 2.000 . 2.500 2.252 1.747 2.520 0.020 10 0 "[ . 1 . 2]" 1
393 1 31 TYR H 1 31 TYR HB2 2.300 . 3.000 2.394 2.224 2.552 . 0 0 "[ . 1 . 2]" 1
394 1 31 TYR H 1 31 TYR HB3 2.700 . 3.600 3.597 3.523 3.664 0.064 7 0 "[ . 1 . 2]" 1
395 1 31 TYR H 1 31 TYR QD 2.600 . 3.400 2.995 2.080 3.418 0.018 15 0 "[ . 1 . 2]" 1
396 1 31 TYR HA 1 31 TYR QD 2.700 . 3.600 2.411 1.837 3.132 . 0 0 "[ . 1 . 2]" 1
397 1 31 TYR HA 1 32 ASP H 2.500 . 3.300 2.141 2.080 2.283 . 0 0 "[ . 1 . 2]" 1
398 1 31 TYR HB2 1 31 TYR QD 2.200 . 2.800 2.361 2.264 2.763 . 0 0 "[ . 1 . 2]" 1
399 1 31 TYR HB3 1 31 TYR QD 2.300 . 2.900 2.588 2.308 2.771 . 0 0 "[ . 1 . 2]" 1
400 1 31 TYR HB3 1 36 ASN HA 2.800 . 3.800 3.239 2.635 3.758 . 0 0 "[ . 1 . 2]" 1
401 1 31 TYR QD 1 32 ASP H 3.200 . 6.000 3.918 3.177 4.450 . 0 0 "[ . 1 . 2]" 1
402 1 31 TYR QD 1 36 ASN HA 2.300 . 3.500 2.927 2.046 3.513 0.013 9 0 "[ . 1 . 2]" 1
403 1 31 TYR QD 1 36 ASN HB2 2.800 . 5.000 3.900 2.481 4.993 . 0 0 "[ . 1 . 2]" 1
404 1 31 TYR QD 1 36 ASN HB3 2.400 . 3.800 3.332 2.228 4.516 0.716 15 1 "[ . 1 + 2]" 1
405 1 31 TYR QD 1 39 GLU HB2 2.400 . 3.100 2.608 2.251 3.150 0.050 17 0 "[ . 1 . 2]" 1
406 1 31 TYR QD 1 39 GLU HB3 2.500 . 3.600 3.559 3.149 3.625 0.025 12 0 "[ . 1 . 2]" 1
407 1 31 TYR QD 1 39 GLU QG 2.600 . 4.200 3.738 1.840 4.222 0.022 13 0 "[ . 1 . 2]" 1
408 1 31 TYR QE 1 36 ASN HA 3.000 . 5.000 4.314 3.351 5.017 0.017 6 0 "[ . 1 . 2]" 1
409 1 31 TYR QE 1 36 ASN HB3 2.400 . 3.600 3.103 2.167 3.666 0.066 1 0 "[ . 1 . 2]" 1
410 1 31 TYR QE 1 39 GLU HB2 2.700 . 4.200 2.839 2.232 3.493 . 0 0 "[ . 1 . 2]" 1
411 1 31 TYR QE 1 39 GLU HB3 2.900 . 4.500 2.506 2.114 3.205 . 0 0 "[ . 1 . 2]" 1
412 1 32 ASP H 1 32 ASP QB 2.300 . 3.000 2.474 2.221 3.081 0.081 9 0 "[ . 1 . 2]" 1
413 1 32 ASP H 1 33 CYS H 2.200 . 2.800 2.145 1.911 2.433 . 0 0 "[ . 1 . 2]" 1
414 1 32 ASP HA 1 33 CYS H 3.000 . 4.100 3.496 3.366 3.553 . 0 0 "[ . 1 . 2]" 1
415 1 33 CYS H 1 33 CYS HB2 2.300 . 3.000 2.151 2.061 2.417 . 0 0 "[ . 1 . 2]" 1
416 1 33 CYS H 1 33 CYS HB3 2.600 . 3.400 3.276 2.669 3.500 0.100 8 0 "[ . 1 . 2]" 1
417 1 33 CYS H 1 38 ASP H 2.800 . 6.000 3.708 3.416 4.509 . 0 0 "[ . 1 . 2]" 1
418 1 33 CYS HB2 1 34 ARG H 0.000 . 6.000 4.107 3.703 4.348 . 0 0 "[ . 1 . 2]" 1
419 1 33 CYS HB2 1 35 ASP H 2.700 . 4.000 3.961 3.605 4.034 0.034 10 0 "[ . 1 . 2]" 1
420 1 33 CYS HB2 1 36 ASN H 0.000 . 4.200 3.690 2.795 4.217 0.017 7 0 "[ . 1 . 2]" 1
421 1 33 CYS HB2 1 37 SER H 2.500 . 3.300 3.039 2.487 3.311 0.011 3 0 "[ . 1 . 2]" 1
422 1 33 CYS HB2 1 38 ASP H 2.300 . 3.000 2.420 2.209 2.742 . 0 0 "[ . 1 . 2]" 1
423 1 33 CYS HB2 1 39 GLU H 0.000 . 6.000 4.607 4.230 5.082 . 0 0 "[ . 1 . 2]" 1
424 1 33 CYS HB3 1 34 ARG H 3.000 . 4.500 2.969 2.302 3.598 . 0 0 "[ . 1 . 2]" 1
425 1 33 CYS HB3 1 35 ASP H 2.600 . 3.600 2.407 2.177 2.775 . 0 0 "[ . 1 . 2]" 1
426 1 33 CYS HB3 1 36 ASN H 2.600 . 3.800 2.806 2.216 3.679 . 0 0 "[ . 1 . 2]" 1
427 1 33 CYS HB3 1 37 SER H 2.600 . 3.600 2.620 2.231 2.938 . 0 0 "[ . 1 . 2]" 1
428 1 33 CYS HB3 1 38 ASP H 2.700 . 3.600 3.449 2.834 3.629 0.029 19 0 "[ . 1 . 2]" 1
429 1 34 ARG H 1 34 ARG HA 2.300 . 3.000 2.851 2.807 2.901 . 0 0 "[ . 1 . 2]" 1
430 1 34 ARG H 1 34 ARG HB2 2.400 . 3.100 2.655 2.171 3.625 0.525 8 2 "[ - . + 1 . 2]" 1
431 1 34 ARG H 1 34 ARG HB3 3.000 . 4.100 3.379 2.477 3.630 . 0 0 "[ . 1 . 2]" 1
432 1 34 ARG H 1 34 ARG HG2 2.600 . 3.400 2.864 2.000 3.823 0.423 13 0 "[ . 1 . 2]" 1
433 1 34 ARG H 1 34 ARG HG3 2.800 . 3.800 2.975 1.790 3.811 0.011 19 0 "[ . 1 . 2]" 1
434 1 34 ARG H 1 35 ASP H 2.600 . 3.400 2.594 2.430 3.343 . 0 0 "[ . 1 . 2]" 1
435 1 34 ARG HA 1 34 ARG HB2 2.300 . 3.100 2.892 2.367 3.024 . 0 0 "[ . 1 . 2]" 1
436 1 34 ARG HA 1 34 ARG HB3 2.000 . 2.600 2.496 2.270 2.648 0.048 16 0 "[ . 1 . 2]" 1
437 1 34 ARG HA 1 34 ARG QD 2.500 . 5.000 3.520 2.029 4.376 . 0 0 "[ . 1 . 2]" 1
438 1 34 ARG HA 1 34 ARG HG2 2.700 . 3.600 2.834 2.260 3.851 0.251 7 0 "[ . 1 . 2]" 1
439 1 34 ARG HA 1 34 ARG HG3 2.800 . 3.800 3.470 2.539 3.823 0.023 3 0 "[ . 1 . 2]" 1
440 1 34 ARG HA 1 35 ASP H 2.800 . 3.800 3.345 2.528 3.516 . 0 0 "[ . 1 . 2]" 1
441 1 34 ARG HB2 1 34 ARG QD 2.500 . 3.300 2.769 2.028 3.302 0.002 3 0 "[ . 1 . 2]" 1
442 1 34 ARG HB2 1 34 ARG HG2 2.800 . 3.700 2.839 2.486 3.005 . 0 0 "[ . 1 . 2]" 1
443 1 34 ARG HB2 1 34 ARG HG3 2.800 . 3.800 2.384 2.207 2.835 . 0 0 "[ . 1 . 2]" 1
444 1 34 ARG HB2 1 35 ASP H 3.000 . 4.100 3.400 2.693 4.211 0.111 20 0 "[ . 1 . 2]" 1
445 1 34 ARG HB3 1 34 ARG QD 2.500 . 3.300 2.413 1.925 3.358 0.058 18 0 "[ . 1 . 2]" 1
446 1 34 ARG HB3 1 34 ARG HG2 3.000 . 4.100 2.654 2.200 3.011 . 0 0 "[ . 1 . 2]" 1
447 1 34 ARG HB3 1 34 ARG HG3 2.700 . 3.600 2.835 2.476 3.005 . 0 0 "[ . 1 . 2]" 1
448 1 34 ARG QD 1 34 ARG HG2 2.400 . 3.100 2.343 2.134 2.532 . 0 0 "[ . 1 . 2]" 1
449 1 34 ARG QD 1 34 ARG HG3 2.100 . 2.700 2.293 2.146 2.520 . 0 0 "[ . 1 . 2]" 1
450 1 35 ASP H 1 35 ASP HA 2.500 . 3.300 2.924 2.863 2.947 . 0 0 "[ . 1 . 2]" 1
451 1 35 ASP H 1 35 ASP HB2 2.800 . 3.800 3.270 2.279 3.757 . 0 0 "[ . 1 . 2]" 1
452 1 35 ASP H 1 35 ASP HB3 2.600 . 3.500 3.220 2.371 3.675 0.175 18 0 "[ . 1 . 2]" 1
453 1 35 ASP H 1 37 SER H 2.800 . 3.800 3.605 3.243 3.861 0.061 17 0 "[ . 1 . 2]" 1
454 1 35 ASP HA 1 35 ASP HB2 2.000 . 2.600 2.670 2.408 3.021 0.421 18 0 "[ . 1 . 2]" 1
455 1 35 ASP HA 1 36 ASN H 2.800 . 3.800 3.327 3.118 3.515 . 0 0 "[ . 1 . 2]" 1
456 1 36 ASN H 1 37 SER H 1.900 . 2.800 2.369 1.517 2.785 . 0 0 "[ . 1 . 2]" 1
457 1 36 ASN H 1 38 ASP H 2.700 . 6.000 4.241 3.802 4.490 . 0 0 "[ . 1 . 2]" 1
458 1 36 ASN HA 1 36 ASN HB2 2.600 . 3.400 2.776 2.226 3.025 . 0 0 "[ . 1 . 2]" 1
459 1 36 ASN HA 1 36 ASN HB3 2.400 . 3.100 2.529 2.362 2.788 . 0 0 "[ . 1 . 2]" 1
460 1 36 ASN HA 1 37 SER H 2.600 . 3.500 3.038 2.930 3.207 . 0 0 "[ . 1 . 2]" 1
461 1 36 ASN HA 1 38 ASP H 3.000 . 4.500 3.471 3.182 3.804 . 0 0 "[ . 1 . 2]" 1
462 1 36 ASN HA 1 39 GLU H 0.000 . 4.200 3.929 3.519 4.232 0.032 9 0 "[ . 1 . 2]" 1
463 1 36 ASN HA 1 40 ALA H 0.000 . 6.000 4.896 4.397 5.398 . 0 0 "[ . 1 . 2]" 1
464 1 36 ASN HB2 1 36 ASN HD22 2.800 . 3.800 3.605 3.432 4.098 0.298 15 0 "[ . 1 . 2]" 1
465 1 37 SER H 1 37 SER HA 2.300 . 2.900 2.840 2.758 2.911 0.011 13 0 "[ . 1 . 2]" 1
466 1 37 SER H 1 37 SER QB 2.200 . 2.800 2.723 2.345 2.877 0.077 5 0 "[ . 1 . 2]" 1
467 1 37 SER H 1 38 ASP H 2.400 . 3.100 2.598 2.365 2.816 . 0 0 "[ . 1 . 2]" 1
468 1 37 SER H 1 39 GLU H 0.000 . 6.000 4.375 4.053 4.656 . 0 0 "[ . 1 . 2]" 1
469 1 37 SER HA 1 37 SER QB 2.300 . 2.900 2.226 2.144 2.392 . 0 0 "[ . 1 . 2]" 1
470 1 37 SER HA 1 38 ASP H 2.700 . 3.600 3.409 3.221 3.524 . 0 0 "[ . 1 . 2]" 1
471 1 37 SER HA 1 39 GLU H 2.700 . 6.000 3.951 3.398 4.222 . 0 0 "[ . 1 . 2]" 1
472 1 37 SER HA 1 40 ALA H 2.600 . 3.400 3.141 2.699 3.411 0.011 8 0 "[ . 1 . 2]" 1
473 1 37 SER HA 1 40 ALA MB 1.900 . 3.500 2.256 1.651 3.062 . 0 0 "[ . 1 . 2]" 1
474 1 38 ASP H 1 38 ASP HA 2.400 . 3.100 2.841 2.810 2.885 . 0 0 "[ . 1 . 2]" 1
475 1 38 ASP H 1 38 ASP HB2 2.600 . 3.600 3.590 3.413 3.623 0.023 3 0 "[ . 1 . 2]" 1
476 1 38 ASP H 1 38 ASP HB3 2.500 . 3.300 2.690 2.113 2.836 . 0 0 "[ . 1 . 2]" 1
477 1 38 ASP H 1 39 GLU H 2.200 . 2.800 2.548 2.340 2.702 . 0 0 "[ . 1 . 2]" 1
478 1 38 ASP H 1 40 ALA H 2.800 . 6.000 3.762 3.398 4.205 . 0 0 "[ . 1 . 2]" 1
479 1 38 ASP HA 1 38 ASP HB2 2.100 . 2.700 2.491 2.233 2.576 . 0 0 "[ . 1 . 2]" 1
480 1 38 ASP HA 1 38 ASP HB3 2.100 . 2.700 2.417 2.337 2.746 0.046 10 0 "[ . 1 . 2]" 1
481 1 38 ASP HA 1 39 GLU H 2.800 . 3.800 3.477 3.374 3.542 . 0 0 "[ . 1 . 2]" 1
482 1 38 ASP HA 1 40 ALA H 0.000 . 6.000 4.398 3.775 5.016 . 0 0 "[ . 1 . 2]" 1
483 1 39 GLU H 1 39 GLU HB2 3.000 . 4.200 2.395 2.209 2.663 . 0 0 "[ . 1 . 2]" 1
484 1 39 GLU H 1 39 GLU HB3 2.800 . 3.800 3.296 2.999 3.688 . 0 0 "[ . 1 . 2]" 1
485 1 39 GLU H 1 39 GLU QG 2.700 . 6.000 3.949 2.759 4.293 . 0 0 "[ . 1 . 2]" 1
486 1 39 GLU H 1 40 ALA H 2.200 . 2.800 2.101 1.752 2.335 . 0 0 "[ . 1 . 2]" 1
487 1 39 GLU HA 1 40 ALA H 0.000 . 5.000 3.338 3.030 3.553 . 0 0 "[ . 1 . 2]" 1
488 1 39 GLU HB2 1 39 GLU QG 2.400 . 3.100 2.365 2.121 2.474 . 0 0 "[ . 1 . 2]" 1
489 1 39 GLU HB3 1 39 GLU QG 2.500 . 3.300 2.162 2.127 2.340 . 0 0 "[ . 1 . 2]" 1
490 1 40 ALA H 1 40 ALA HA 2.700 . 3.600 2.876 2.830 2.947 . 0 0 "[ . 1 . 2]" 1
491 1 40 ALA H 1 40 ALA MB 2.000 . 2.700 2.163 2.037 2.378 . 0 0 "[ . 1 . 2]" 1
492 1 40 ALA HA 1 40 ALA MB 2.100 . 2.700 2.099 2.083 2.130 . 0 0 "[ . 1 . 2]" 1
493 1 40 ALA HA 1 41 GLY H 2.600 . 3.500 2.835 2.110 3.531 0.031 1 0 "[ . 1 . 2]" 1
494 1 40 ALA MB 1 41 GLY H 2.700 . 3.600 2.956 1.941 3.599 . 0 0 "[ . 1 . 2]" 1
495 1 41 GLY H 1 41 GLY HA2 2.700 . 3.600 2.674 2.317 2.938 . 0 0 "[ . 1 . 2]" 1
496 1 41 GLY H 1 41 GLY HA3 2.800 . 3.800 2.644 2.338 2.958 . 0 0 "[ . 1 . 2]" 1
497 1 41 GLY H 1 42 CYS H 2.800 . 3.800 2.723 1.795 3.771 0.005 13 0 "[ . 1 . 2]" 1
498 1 41 GLY HA2 1 42 CYS H 2.800 . 3.800 2.934 2.172 3.483 . 0 0 "[ . 1 . 2]" 1
499 1 41 GLY HA3 1 42 CYS H 2.800 . 3.800 3.395 2.920 3.560 . 0 0 "[ . 1 . 2]" 1
500 1 42 CYS H 1 42 CYS HB2 2.200 . 2.800 2.389 2.050 3.199 0.399 19 0 "[ . 1 . 2]" 1
501 1 42 CYS H 1 42 CYS HB3 2.400 . 3.300 3.172 2.812 3.463 0.163 6 0 "[ . 1 . 2]" 1
502 1 42 CYS HA 1 43 PRO HD2 0.000 . 2.800 2.304 2.014 2.800 0.000 18 0 "[ . 1 . 2]" 1
503 1 42 CYS HA 1 43 PRO HD3 0.000 . 2.600 2.309 1.850 2.549 . 0 0 "[ . 1 . 2]" 1
504 1 42 CYS HB3 1 43 PRO HD2 2.900 . 3.900 3.300 2.523 4.200 0.300 19 0 "[ . 1 . 2]" 1
505 1 43 PRO HA 1 43 PRO HB3 2.900 . 3.900 2.283 2.245 2.318 . 0 0 "[ . 1 . 2]" 1
506 1 43 PRO HA 1 43 PRO QG 2.900 . 3.900 3.356 2.907 3.516 . 0 0 "[ . 1 . 2]" 1
507 1 43 PRO HA 1 44 THR H 2.000 . 2.500 2.204 2.123 2.526 0.026 11 0 "[ . 1 . 2]" 1
508 1 43 PRO HB2 1 43 PRO HD3 2.800 . 3.800 3.908 3.833 3.990 0.190 18 0 "[ . 1 . 2]" 1
509 1 43 PRO HB3 1 43 PRO HD3 2.900 . 4.100 3.279 2.940 4.069 . 0 0 "[ . 1 . 2]" 1
510 1 44 THR H 1 44 THR HA 2.500 . 3.300 2.855 2.793 2.942 . 0 0 "[ . 1 . 2]" 1
511 1 44 THR H 1 44 THR HB 2.500 . 3.400 3.217 3.062 3.416 0.016 5 0 "[ . 1 . 2]" 1
512 1 44 THR H 1 44 THR MG 2.600 . 3.500 3.415 3.171 3.546 0.046 3 0 "[ . 1 . 2]" 1
513 1 44 THR HA 1 44 THR MG 2.300 . 2.900 2.048 1.925 2.176 . 0 0 "[ . 1 . 2]" 1
514 1 44 THR HA 1 45 ARG H 2.100 . 2.600 2.157 2.114 2.255 . 0 0 "[ . 1 . 2]" 1
515 1 44 THR HB 1 44 THR MG 2.300 . 2.900 2.116 2.087 2.136 . 0 0 "[ . 1 . 2]" 1
516 1 44 THR HB 1 45 ARG H 2.800 . 3.800 3.619 2.924 3.837 0.037 1 0 "[ . 1 . 2]" 1
517 1 44 THR MG 1 45 ARG H 2.800 . 3.800 3.054 2.541 3.622 . 0 0 "[ . 1 . 2]" 1
518 1 45 ARG H 1 45 ARG HA 2.800 . 3.800 2.844 2.251 2.952 . 0 0 "[ . 1 . 2]" 1
519 1 45 ARG H 1 45 ARG HB3 2.900 . 4.000 3.410 2.742 4.040 0.040 1 0 "[ . 1 . 2]" 1
520 1 45 ARG HA 1 45 ARG HB3 3.000 . 4.200 2.584 2.235 2.990 . 0 0 "[ . 1 . 2]" 1
521 1 45 ARG HA 1 46 PRO HD2 2.500 . 3.300 2.445 1.906 2.823 . 0 0 "[ . 1 . 2]" 1
522 1 45 ARG HA 1 46 PRO HD3 2.700 . 3.600 2.093 1.776 2.662 0.024 10 0 "[ . 1 . 2]" 1
523 1 45 ARG HB2 1 46 PRO HD3 2.900 . 6.000 4.520 3.550 5.165 . 0 0 "[ . 1 . 2]" 1
524 1 45 ARG HB3 1 45 ARG QG 2.300 . 3.000 2.354 2.129 2.517 . 0 0 "[ . 1 . 2]" 1
525 1 45 ARG HB3 1 46 PRO HD3 2.900 . 4.100 4.157 3.650 4.951 0.851 1 3 "[+* . 1 . -2]" 1
526 1 46 PRO HB2 1 47 PRO QG 3.000 . 6.000 5.245 4.444 5.670 . 0 0 "[ . 1 . 2]" 1
527 1 46 PRO HB2 1 48 GLY QA 2.900 . 6.000 4.822 3.647 6.005 0.005 10 0 "[ . 1 . 2]" 1
528 1 46 PRO HD2 1 46 PRO QG 2.500 . 3.300 2.220 2.171 2.254 . 0 0 "[ . 1 . 2]" 1
529 1 47 PRO HA 1 47 PRO HB2 2.500 . 6.000 2.872 2.679 2.985 . 0 0 "[ . 1 . 2]" 1
530 1 47 PRO HA 1 47 PRO HB3 2.700 . 3.600 2.278 2.256 2.311 . 0 0 "[ . 1 . 2]" 1
531 1 47 PRO HA 1 48 GLY H 2.300 . 3.000 2.275 2.136 2.686 . 0 0 "[ . 1 . 2]" 1
532 1 47 PRO HB2 1 47 PRO HD2 2.500 . 6.000 3.257 2.926 4.046 . 0 0 "[ . 1 . 2]" 1
533 1 47 PRO HB3 1 47 PRO HG3 2.000 . 2.500 2.303 2.266 2.324 . 0 0 "[ . 1 . 2]" 1
534 1 47 PRO QG 1 48 GLY HA2 2.300 . 6.000 5.394 4.561 5.898 . 0 0 "[ . 1 . 2]" 1
535 1 47 PRO QG 1 48 GLY QA 2.200 . 6.000 5.209 4.473 5.645 . 0 0 "[ . 1 . 2]" 1
536 1 48 GLY H 1 48 GLY QA 2.600 . 3.400 2.398 2.222 2.497 . 0 0 "[ . 1 . 2]" 1
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