Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
596165 | 2n4t RC | 25680 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n4t
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 427
_Distance_constraint_stats_list.Viol_count 472
_Distance_constraint_stats_list.Viol_total 122.980
_Distance_constraint_stats_list.Viol_max 0.453
_Distance_constraint_stats_list.Viol_rms 0.0091
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0130
_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 GLY 1.834 0.453 2 0 "[ . 1 . 2]"
1 2 ALA 1.974 0.453 2 0 "[ . 1 . 2]"
1 3 THR 0.240 0.042 8 0 "[ . 1 . 2]"
1 4 ALA 0.346 0.042 8 0 "[ . 1 . 2]"
1 5 VAL 0.782 0.055 6 0 "[ . 1 . 2]"
1 6 SER 0.768 0.055 6 0 "[ . 1 . 2]"
1 7 GLU 0.603 0.035 6 0 "[ . 1 . 2]"
1 8 TRP 0.609 0.035 1 0 "[ . 1 . 2]"
1 9 THR 0.191 0.018 6 0 "[ . 1 . 2]"
1 10 GLU 0.853 0.043 3 0 "[ . 1 . 2]"
1 11 TYR 0.569 0.043 3 0 "[ . 1 . 2]"
1 12 LYS 0.526 0.020 20 0 "[ . 1 . 2]"
1 13 THR 0.012 0.005 15 0 "[ . 1 . 2]"
1 14 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLY 0.468 0.020 20 0 "[ . 1 . 2]"
1 17 LYS 0.016 0.009 18 0 "[ . 1 . 2]"
1 18 THR 0.102 0.016 18 0 "[ . 1 . 2]"
1 19 TYR 0.110 0.016 18 0 "[ . 1 . 2]"
1 20 TYR 0.217 0.018 18 0 "[ . 1 . 2]"
1 21 TYR 0.058 0.009 16 0 "[ . 1 . 2]"
1 22 ASN 0.206 0.027 3 0 "[ . 1 . 2]"
1 23 ASN 0.102 0.010 17 0 "[ . 1 . 2]"
1 24 ARG 0.095 0.012 19 0 "[ . 1 . 2]"
1 25 THR 0.004 0.004 17 0 "[ . 1 . 2]"
1 26 TRP 0.114 0.010 17 0 "[ . 1 . 2]"
1 27 GLU 0.109 0.024 19 0 "[ . 1 . 2]"
1 28 SER 0.111 0.024 19 0 "[ . 1 . 2]"
1 29 THR 0.075 0.011 7 0 "[ . 1 . 2]"
1 30 TRP 0.054 0.008 7 0 "[ . 1 . 2]"
1 31 GLU 0.053 0.015 7 0 "[ . 1 . 2]"
1 32 LYS 0.172 0.015 7 0 "[ . 1 . 2]"
1 33 PRO 0.101 0.012 8 0 "[ . 1 . 2]"
1 34 GLN 0.100 0.017 13 0 "[ . 1 . 2]"
1 35 GLU 0.605 0.035 1 0 "[ . 1 . 2]"
1 36 LEU 0.094 0.011 19 0 "[ . 1 . 2]"
1 37 LYS 0.025 0.017 13 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLY HA3 1 2 ALA H 2.408 . 3.107 2.802 2.112 3.560 0.453 2 0 "[ . 1 . 2]" 1
2 1 2 ALA HA 1 3 THR H 1.750 . 2.250 2.211 2.140 2.265 0.015 18 0 "[ . 1 . 2]" 1
3 1 2 ALA HA 1 5 VAL HA 3.979 2.072 5.886 5.731 5.124 5.903 0.017 8 0 "[ . 1 . 2]" 1
4 1 2 ALA MB 1 3 THR H 3.328 . 4.734 3.215 2.537 3.620 . 0 0 "[ . 1 . 2]" 1
5 1 3 THR HA 1 4 ALA H 2.441 . 3.166 2.861 2.113 3.208 0.042 8 0 "[ . 1 . 2]" 1
6 1 3 THR HB 1 4 ALA H 3.245 . 4.587 4.092 3.502 4.582 . 0 0 "[ . 1 . 2]" 1
7 1 3 THR MG 1 4 ALA H 4.003 2.078 5.928 3.912 2.934 4.353 . 0 0 "[ . 1 . 2]" 1
8 1 4 ALA H 1 5 VAL H 2.819 . 3.834 3.435 2.781 3.859 0.025 10 0 "[ . 1 . 2]" 1
9 1 4 ALA H 1 5 VAL MG2 4.350 2.158 6.543 4.408 2.477 6.320 . 0 0 "[ . 1 . 2]" 1
10 1 4 ALA HA 1 5 VAL H 1.750 . 2.250 2.206 2.114 2.286 0.036 20 0 "[ . 1 . 2]" 1
11 1 4 ALA HA 1 5 VAL MG2 3.998 2.076 5.919 4.191 3.275 5.502 . 0 0 "[ . 1 . 2]" 1
12 1 4 ALA MB 1 5 VAL H 3.377 . 4.821 3.454 3.146 3.634 . 0 0 "[ . 1 . 2]" 1
13 1 5 VAL H 1 6 SER H 3.080 . 4.295 4.060 2.969 4.350 0.055 6 0 "[ . 1 . 2]" 1
14 1 5 VAL HA 1 6 SER H 2.042 . 2.542 2.304 1.961 2.576 0.034 16 0 "[ . 1 . 2]" 1
15 1 5 VAL HB 1 6 SER H 3.283 . 4.655 3.923 2.090 4.541 . 0 0 "[ . 1 . 2]" 1
16 1 5 VAL MG2 1 6 SER H 3.556 . 5.138 3.418 1.973 4.307 0.002 20 0 "[ . 1 . 2]" 1
17 1 5 VAL MG2 1 6 SER HA 4.214 2.126 6.301 4.954 3.479 5.986 . 0 0 "[ . 1 . 2]" 1
18 1 5 VAL MG2 1 7 GLU H 4.426 2.175 6.676 4.521 3.104 5.500 . 0 0 "[ . 1 . 2]" 1
19 1 5 VAL MG2 1 35 GLU HB2 2.731 . 3.679 3.580 3.081 3.692 0.013 2 0 "[ . 1 . 2]" 1
20 1 6 SER H 1 7 GLU H 3.628 . 5.264 2.472 2.118 2.806 . 0 0 "[ . 1 . 2]" 1
21 1 6 SER HA 1 7 GLU H 2.274 . 2.869 2.873 2.751 2.904 0.035 6 0 "[ . 1 . 2]" 1
22 1 6 SER HA 1 36 LEU MD1 4.542 2.202 6.881 4.971 3.429 6.892 0.011 19 0 "[ . 1 . 2]" 1
23 1 6 SER HB2 1 7 GLU H 3.601 . 5.216 4.202 3.941 4.604 . 0 0 "[ . 1 . 2]" 1
24 1 6 SER HB3 1 7 GLU H 3.586 . 5.191 4.361 3.976 4.615 . 0 0 "[ . 1 . 2]" 1
25 1 7 GLU HA 1 8 TRP H 3.293 . 4.673 3.389 3.202 3.541 . 0 0 "[ . 1 . 2]" 1
26 1 7 GLU HA 1 23 ASN HB2 3.411 . 4.880 3.967 3.446 4.834 . 0 0 "[ . 1 . 2]" 1
27 1 7 GLU HA 1 23 ASN HD21 3.731 2.015 5.447 3.439 2.984 4.410 . 0 0 "[ . 1 . 2]" 1
28 1 7 GLU HA 1 23 ASN HD22 3.960 2.068 5.853 4.780 3.931 5.857 0.004 3 0 "[ . 1 . 2]" 1
29 1 7 GLU HB2 1 8 TRP HD1 3.086 . 4.306 3.652 2.263 4.320 0.014 7 0 "[ . 1 . 2]" 1
30 1 7 GLU HB2 1 8 TRP HE1 3.852 2.043 5.662 4.640 3.424 5.668 0.006 3 0 "[ . 1 . 2]" 1
31 1 7 GLU HB2 1 22 ASN HD21 3.086 . 4.306 3.033 2.399 4.332 0.027 3 0 "[ . 1 . 2]" 1
32 1 7 GLU HB3 1 8 TRP HD1 3.341 . 4.757 4.228 2.403 4.762 0.006 18 0 "[ . 1 . 2]" 1
33 1 7 GLU HB3 1 22 ASN HD21 3.341 . 4.757 3.646 2.088 4.762 0.005 1 0 "[ . 1 . 2]" 1
34 1 7 GLU HG2 1 22 ASN HD21 3.495 . 5.030 4.260 2.513 5.045 0.015 4 0 "[ . 1 . 2]" 1
35 1 7 GLU HG3 1 8 TRP HD1 3.350 . 4.773 3.373 1.910 4.799 0.026 12 0 "[ . 1 . 2]" 1
36 1 7 GLU HG3 1 22 ASN HD21 3.350 . 4.773 3.590 1.922 4.788 0.015 5 0 "[ . 1 . 2]" 1
37 1 8 TRP HA 1 9 THR H 2.949 . 4.063 2.142 2.113 2.236 . 0 0 "[ . 1 . 2]" 1
38 1 8 TRP HA 1 23 ASN H 3.597 . 5.210 3.749 3.350 4.505 . 0 0 "[ . 1 . 2]" 1
39 1 8 TRP HB2 1 9 THR H 3.919 2.058 5.779 4.349 3.940 4.481 . 0 0 "[ . 1 . 2]" 1
40 1 8 TRP HB3 1 9 THR H 3.616 . 5.244 3.531 2.949 3.783 . 0 0 "[ . 1 . 2]" 1
41 1 8 TRP HD1 1 33 PRO HB3 3.923 2.059 5.786 4.351 3.218 5.788 0.002 6 0 "[ . 1 . 2]" 1
42 1 8 TRP HD1 1 33 PRO HG2 3.970 2.070 5.871 4.504 3.822 5.276 . 0 0 "[ . 1 . 2]" 1
43 1 8 TRP HD1 1 35 GLU HB2 3.594 . 5.205 4.129 3.099 5.212 0.006 6 0 "[ . 1 . 2]" 1
44 1 8 TRP HD1 1 35 GLU HB3 3.070 . 4.279 4.252 3.867 4.313 0.035 1 0 "[ . 1 . 2]" 1
45 1 8 TRP HD1 1 35 GLU HG2 3.345 . 4.765 2.718 2.034 3.990 . 0 0 "[ . 1 . 2]" 1
46 1 8 TRP HE1 1 22 ASN HD22 3.995 2.076 5.914 3.813 3.134 4.770 . 0 0 "[ . 1 . 2]" 1
47 1 8 TRP HE1 1 33 PRO HB2 3.764 2.023 5.506 3.935 3.220 4.737 . 0 0 "[ . 1 . 2]" 1
48 1 8 TRP HE1 1 33 PRO HB3 3.994 2.076 5.912 3.677 3.212 4.810 . 0 0 "[ . 1 . 2]" 1
49 1 8 TRP HE1 1 35 GLU HG2 3.747 2.019 5.476 3.691 3.152 5.480 0.004 18 0 "[ . 1 . 2]" 1
50 1 8 TRP HE3 1 20 TYR HA 3.677 2.002 5.351 3.902 3.587 4.368 . 0 0 "[ . 1 . 2]" 1
51 1 8 TRP HE3 1 20 TYR HB2 2.899 . 3.975 2.892 2.594 3.497 . 0 0 "[ . 1 . 2]" 1
52 1 8 TRP HE3 1 20 TYR HB3 3.073 . 4.283 2.297 1.899 2.895 . 0 0 "[ . 1 . 2]" 1
53 1 8 TRP HE3 1 20 TYR QD 3.806 2.032 5.580 4.345 4.008 4.829 . 0 0 "[ . 1 . 2]" 1
54 1 8 TRP HE3 1 29 THR MG 3.986 2.074 5.899 3.884 2.869 5.892 . 0 0 "[ . 1 . 2]" 1
55 1 8 TRP HE3 1 33 PRO HG2 4.063 2.091 6.034 4.435 3.009 5.830 . 0 0 "[ . 1 . 2]" 1
56 1 8 TRP HH2 1 22 ASN HB2 3.980 2.072 5.887 3.519 3.172 3.932 . 0 0 "[ . 1 . 2]" 1
57 1 8 TRP HH2 1 22 ASN HB3 3.967 2.069 5.864 3.868 3.461 4.080 . 0 0 "[ . 1 . 2]" 1
58 1 8 TRP HH2 1 27 GLU HB2 3.624 . 5.258 4.635 4.028 5.106 . 0 0 "[ . 1 . 2]" 1
59 1 8 TRP HH2 1 27 GLU HB3 3.806 2.032 5.580 3.245 2.630 3.774 . 0 0 "[ . 1 . 2]" 1
60 1 8 TRP HH2 1 27 GLU HG2 4.004 2.078 5.931 3.246 2.168 3.916 . 0 0 "[ . 1 . 2]" 1
61 1 8 TRP HH2 1 27 GLU HG3 3.796 2.030 5.563 3.358 2.213 4.113 . 0 0 "[ . 1 . 2]" 1
62 1 8 TRP HH2 1 29 THR HB 3.795 2.030 5.560 4.066 2.973 4.857 . 0 0 "[ . 1 . 2]" 1
63 1 8 TRP HH2 1 29 THR MG 3.608 . 5.230 3.020 2.308 4.326 . 0 0 "[ . 1 . 2]" 1
64 1 8 TRP HZ2 1 22 ASN HB3 4.133 2.108 6.158 4.154 3.753 4.475 . 0 0 "[ . 1 . 2]" 1
65 1 8 TRP HZ2 1 22 ASN HD22 3.625 . 5.259 4.893 4.223 5.266 0.007 5 0 "[ . 1 . 2]" 1
66 1 8 TRP HZ2 1 27 GLU HB2 4.153 2.112 6.193 5.888 5.086 6.198 0.005 6 0 "[ . 1 . 2]" 1
67 1 8 TRP HZ2 1 29 THR MG 4.158 2.113 6.202 4.647 4.217 5.479 . 0 0 "[ . 1 . 2]" 1
68 1 8 TRP HZ2 1 33 PRO HB2 3.816 2.034 5.597 5.085 4.392 5.601 0.003 20 0 "[ . 1 . 2]" 1
69 1 8 TRP HZ2 1 33 PRO HB3 4.167 2.116 6.219 3.873 3.190 4.392 . 0 0 "[ . 1 . 2]" 1
70 1 8 TRP HZ2 1 33 PRO HG3 4.098 2.100 6.097 5.023 4.034 6.101 0.004 15 0 "[ . 1 . 2]" 1
71 1 8 TRP HZ3 1 20 TYR HB2 3.552 . 5.131 3.401 2.698 4.126 . 0 0 "[ . 1 . 2]" 1
72 1 8 TRP HZ3 1 20 TYR HB3 3.623 . 5.256 4.022 3.275 4.932 . 0 0 "[ . 1 . 2]" 1
73 1 8 TRP HZ3 1 21 TYR HA 3.653 . 5.309 3.871 3.408 4.716 . 0 0 "[ . 1 . 2]" 1
74 1 8 TRP HZ3 1 22 ASN HB2 3.772 2.024 5.519 3.562 3.259 3.797 . 0 0 "[ . 1 . 2]" 1
75 1 8 TRP HZ3 1 22 ASN HB3 3.873 2.048 5.699 4.119 3.515 4.784 . 0 0 "[ . 1 . 2]" 1
76 1 8 TRP HZ3 1 27 GLU HB2 4.070 2.093 6.047 5.590 4.867 6.051 0.004 14 0 "[ . 1 . 2]" 1
77 1 8 TRP HZ3 1 27 GLU HB3 4.174 2.117 6.231 3.985 3.264 4.455 . 0 0 "[ . 1 . 2]" 1
78 1 8 TRP HZ3 1 27 GLU HG2 4.049 2.088 6.009 4.573 3.658 5.232 . 0 0 "[ . 1 . 2]" 1
79 1 8 TRP HZ3 1 27 GLU HG3 4.113 2.103 6.124 3.646 2.992 4.340 . 0 0 "[ . 1 . 2]" 1
80 1 8 TRP HZ3 1 28 SER HA 3.650 . 5.303 3.668 3.116 4.805 . 0 0 "[ . 1 . 2]" 1
81 1 8 TRP HZ3 1 29 THR MG 3.429 . 4.912 2.298 1.939 4.323 0.006 17 0 "[ . 1 . 2]" 1
82 1 9 THR H 1 21 TYR H 3.563 . 5.151 3.078 2.748 3.381 . 0 0 "[ . 1 . 2]" 1
83 1 9 THR H 1 22 ASN HA 3.903 2.055 5.752 3.644 3.477 3.998 . 0 0 "[ . 1 . 2]" 1
84 1 9 THR HA 1 10 GLU H 2.100 . 2.600 2.245 2.185 2.290 . 0 0 "[ . 1 . 2]" 1
85 1 9 THR HA 1 36 LEU MD2 4.456 2.182 6.729 4.813 2.993 6.368 . 0 0 "[ . 1 . 2]" 1
86 1 9 THR HB 1 10 GLU H 2.788 . 3.778 3.786 3.755 3.797 0.018 6 0 "[ . 1 . 2]" 1
87 1 9 THR HB 1 11 TYR QD 3.912 2.057 5.767 3.808 3.312 4.476 . 0 0 "[ . 1 . 2]" 1
88 1 9 THR HB 1 11 TYR QE 3.270 . 4.632 2.394 1.987 3.027 . 0 0 "[ . 1 . 2]" 1
89 1 9 THR HB 1 21 TYR H 3.957 2.067 5.847 3.903 3.497 4.310 . 0 0 "[ . 1 . 2]" 1
90 1 9 THR HB 1 21 TYR HB2 3.472 . 4.989 4.676 4.293 4.994 0.005 12 0 "[ . 1 . 2]" 1
91 1 9 THR HB 1 21 TYR HB3 3.650 . 5.303 3.098 2.630 3.516 . 0 0 "[ . 1 . 2]" 1
92 1 9 THR HB 1 21 TYR QD 3.796 2.030 5.562 3.680 2.857 5.067 . 0 0 "[ . 1 . 2]" 1
93 1 9 THR HB 1 23 ASN HD21 4.038 2.086 5.990 4.998 4.415 5.992 0.003 8 0 "[ . 1 . 2]" 1
94 1 9 THR HB 1 23 ASN HD22 3.865 2.046 5.684 3.699 3.078 4.753 . 0 0 "[ . 1 . 2]" 1
95 1 9 THR MG 1 10 GLU H 3.491 . 5.023 2.342 2.242 2.565 . 0 0 "[ . 1 . 2]" 1
96 1 9 THR MG 1 11 TYR H 4.130 2.107 6.154 4.887 4.734 5.128 . 0 0 "[ . 1 . 2]" 1
97 1 9 THR MG 1 11 TYR QD 4.139 2.109 6.169 3.881 3.631 4.144 . 0 0 "[ . 1 . 2]" 1
98 1 9 THR MG 1 11 TYR QE 3.901 2.054 5.747 3.114 2.816 3.418 . 0 0 "[ . 1 . 2]" 1
99 1 9 THR MG 1 21 TYR H 4.521 2.197 6.845 4.834 4.663 5.005 . 0 0 "[ . 1 . 2]" 1
100 1 9 THR MG 1 21 TYR QD 4.352 2.158 6.545 4.883 4.198 6.004 . 0 0 "[ . 1 . 2]" 1
101 1 9 THR MG 1 23 ASN HD21 4.320 2.151 6.489 5.354 4.937 6.494 0.006 6 0 "[ . 1 . 2]" 1
102 1 9 THR MG 1 23 ASN HD22 4.357 2.159 6.554 4.219 3.725 5.560 . 0 0 "[ . 1 . 2]" 1
103 1 10 GLU H 1 36 LEU MD2 4.459 2.183 6.735 4.769 2.947 6.044 . 0 0 "[ . 1 . 2]" 1
104 1 10 GLU HA 1 11 TYR H 2.355 . 3.014 2.080 2.019 2.148 . 0 0 "[ . 1 . 2]" 1
105 1 10 GLU HA 1 11 TYR QD 4.093 2.098 6.088 3.832 3.360 4.189 . 0 0 "[ . 1 . 2]" 1
106 1 10 GLU HA 1 18 THR MG 3.507 . 5.050 4.821 3.419 5.057 0.007 1 0 "[ . 1 . 2]" 1
107 1 10 GLU HA 1 20 TYR HA 3.802 2.031 5.572 2.537 2.302 2.707 . 0 0 "[ . 1 . 2]" 1
108 1 10 GLU HA 1 20 TYR QD 3.503 . 5.045 2.771 2.333 3.742 . 0 0 "[ . 1 . 2]" 1
109 1 10 GLU HA 1 20 TYR QE 3.599 . 5.214 4.077 3.542 4.680 . 0 0 "[ . 1 . 2]" 1
110 1 10 GLU HA 1 21 TYR H 3.826 2.037 5.615 3.442 3.024 3.787 . 0 0 "[ . 1 . 2]" 1
111 1 10 GLU HB2 1 11 TYR H 2.836 . 3.864 3.669 2.891 3.907 0.043 3 0 "[ . 1 . 2]" 1
112 1 10 GLU HB2 1 18 THR HB 3.712 2.011 5.414 4.152 2.243 4.789 . 0 0 "[ . 1 . 2]" 1
113 1 10 GLU HB2 1 18 THR MG 3.311 . 4.704 4.190 1.961 4.712 0.009 2 0 "[ . 1 . 2]" 1
114 1 10 GLU HB2 1 20 TYR HA 3.716 2.011 5.420 4.073 3.555 4.595 . 0 0 "[ . 1 . 2]" 1
115 1 10 GLU HB2 1 20 TYR QD 3.160 . 4.437 2.589 2.223 3.435 . 0 0 "[ . 1 . 2]" 1
116 1 10 GLU HB2 1 20 TYR QE 2.806 . 3.810 2.496 1.873 3.190 . 0 0 "[ . 1 . 2]" 1
117 1 10 GLU HB2 1 36 LEU MD2 3.991 2.075 5.908 3.710 2.212 4.435 . 0 0 "[ . 1 . 2]" 1
118 1 10 GLU HG2 1 11 TYR H 2.934 . 4.036 2.885 2.082 4.051 0.015 6 0 "[ . 1 . 2]" 1
119 1 10 GLU HG2 1 18 THR MG 3.372 . 4.811 2.944 2.537 3.721 . 0 0 "[ . 1 . 2]" 1
120 1 10 GLU HG2 1 20 TYR QD 3.243 . 4.584 4.250 3.387 4.594 0.011 19 0 "[ . 1 . 2]" 1
121 1 10 GLU HG2 1 20 TYR QE 2.910 . 3.995 3.847 2.930 4.012 0.018 18 0 "[ . 1 . 2]" 1
122 1 10 GLU HG2 1 36 LEU MD2 4.045 2.087 6.003 5.386 4.299 5.943 . 0 0 "[ . 1 . 2]" 1
123 1 11 TYR H 1 12 LYS H 3.882 2.050 5.714 4.247 4.183 4.358 . 0 0 "[ . 1 . 2]" 1
124 1 11 TYR H 1 19 TYR H 2.974 . 4.108 3.298 2.942 3.599 . 0 0 "[ . 1 . 2]" 1
125 1 11 TYR H 1 20 TYR HA 3.556 . 5.138 3.570 3.173 3.928 . 0 0 "[ . 1 . 2]" 1
126 1 11 TYR HA 1 12 LYS H 2.401 . 3.093 2.160 2.112 2.204 . 0 0 "[ . 1 . 2]" 1
127 1 11 TYR HA 1 19 TYR QE 4.278 2.141 6.415 5.122 4.978 5.433 . 0 0 "[ . 1 . 2]" 1
128 1 11 TYR HB2 1 12 LYS H 3.055 . 4.251 4.216 4.090 4.262 0.010 1 0 "[ . 1 . 2]" 1
129 1 11 TYR HB2 1 19 TYR H 4.153 2.112 6.193 3.869 3.547 4.324 . 0 0 "[ . 1 . 2]" 1
130 1 11 TYR HB2 1 19 TYR QE 3.791 2.029 5.554 2.989 2.476 3.215 . 0 0 "[ . 1 . 2]" 1
131 1 11 TYR HB3 1 12 LYS H 3.511 . 5.058 3.285 3.074 3.390 . 0 0 "[ . 1 . 2]" 1
132 1 11 TYR HB3 1 19 TYR QE 3.983 2.073 5.893 3.332 3.064 3.853 . 0 0 "[ . 1 . 2]" 1
133 1 11 TYR QD 1 12 LYS H 3.907 2.055 5.758 4.044 3.717 4.288 . 0 0 "[ . 1 . 2]" 1
134 1 11 TYR QD 1 19 TYR QE 3.949 2.065 5.832 3.287 2.760 3.796 . 0 0 "[ . 1 . 2]" 1
135 1 11 TYR QD 1 20 TYR HA 4.184 2.119 6.249 4.324 3.765 5.168 . 0 0 "[ . 1 . 2]" 1
136 1 11 TYR QD 1 21 TYR H 4.199 2.123 6.276 3.547 2.771 4.514 . 0 0 "[ . 1 . 2]" 1
137 1 11 TYR QD 1 21 TYR HB2 3.388 . 4.840 2.932 2.156 3.632 . 0 0 "[ . 1 . 2]" 1
138 1 11 TYR QD 1 21 TYR HB3 3.502 . 5.043 2.976 2.385 3.586 . 0 0 "[ . 1 . 2]" 1
139 1 11 TYR QD 1 21 TYR QD 3.983 2.073 5.893 4.403 3.839 4.826 . 0 0 "[ . 1 . 2]" 1
140 1 11 TYR QE 1 19 TYR QE 4.145 2.110 6.180 4.627 3.928 5.216 . 0 0 "[ . 1 . 2]" 1
141 1 11 TYR QE 1 21 TYR H 4.255 2.136 6.375 4.174 3.653 4.900 . 0 0 "[ . 1 . 2]" 1
142 1 11 TYR QE 1 21 TYR HB2 3.185 . 4.481 3.393 2.910 4.180 . 0 0 "[ . 1 . 2]" 1
143 1 11 TYR QE 1 21 TYR HB3 3.297 . 4.680 2.373 1.914 3.166 0.001 3 0 "[ . 1 . 2]" 1
144 1 11 TYR QE 1 21 TYR QD 3.776 2.025 5.526 3.175 2.202 4.056 . 0 0 "[ . 1 . 2]" 1
145 1 12 LYS HA 1 13 THR H 2.523 . 3.310 2.156 2.110 2.201 . 0 0 "[ . 1 . 2]" 1
146 1 12 LYS HA 1 17 LYS H 3.958 2.067 5.848 4.088 3.608 4.422 . 0 0 "[ . 1 . 2]" 1
147 1 12 LYS HA 1 18 THR HA 3.581 . 5.182 2.263 1.974 2.599 0.006 16 0 "[ . 1 . 2]" 1
148 1 12 LYS HA 1 18 THR MG 4.388 2.166 6.609 2.872 2.573 3.537 . 0 0 "[ . 1 . 2]" 1
149 1 12 LYS HA 1 19 TYR H 3.408 . 4.876 3.481 3.209 3.796 . 0 0 "[ . 1 . 2]" 1
150 1 12 LYS HA 1 19 TYR QD 3.966 2.069 5.863 4.148 3.745 4.641 . 0 0 "[ . 1 . 2]" 1
151 1 12 LYS HA 1 19 TYR QE 4.159 2.114 6.204 4.549 4.024 5.126 . 0 0 "[ . 1 . 2]" 1
152 1 12 LYS HB2 1 13 THR H 3.459 . 4.966 4.110 3.968 4.202 . 0 0 "[ . 1 . 2]" 1
153 1 12 LYS HB2 1 16 GLY HA2 3.858 2.044 5.672 4.665 4.359 4.887 . 0 0 "[ . 1 . 2]" 1
154 1 12 LYS HB2 1 18 THR HA 4.075 2.094 6.055 3.733 3.304 4.050 . 0 0 "[ . 1 . 2]" 1
155 1 12 LYS HB3 1 13 THR H 3.665 . 5.330 3.911 3.714 4.121 . 0 0 "[ . 1 . 2]" 1
156 1 12 LYS HB3 1 16 GLY HA2 4.117 2.104 6.131 4.485 4.237 4.671 . 0 0 "[ . 1 . 2]" 1
157 1 12 LYS HB3 1 18 THR HA 4.192 2.121 6.263 4.914 4.636 5.190 . 0 0 "[ . 1 . 2]" 1
158 1 12 LYS HD2 1 16 GLY HA2 3.975 2.071 5.879 2.516 2.057 2.926 0.014 20 0 "[ . 1 . 2]" 1
159 1 12 LYS HD2 1 16 GLY HA3 3.026 . 4.199 3.782 3.085 4.216 0.016 7 0 "[ . 1 . 2]" 1
160 1 12 LYS HD3 1 16 GLY HA2 3.969 2.075 5.869 2.472 2.068 2.987 0.007 9 0 "[ . 1 . 2]" 1
161 1 12 LYS HD3 1 16 GLY HA3 2.934 . 4.037 3.542 3.000 4.057 0.020 20 0 "[ . 1 . 2]" 1
162 1 12 LYS HE2 1 16 GLY HA2 4.087 2.097 6.076 4.577 4.317 4.873 . 0 0 "[ . 1 . 2]" 1
163 1 12 LYS HE2 1 16 GLY HA3 4.188 2.120 6.257 5.731 5.115 6.265 0.009 1 0 "[ . 1 . 2]" 1
164 1 12 LYS HE2 1 18 THR MG 4.387 2.166 6.608 3.777 2.162 5.245 0.004 17 0 "[ . 1 . 2]" 1
165 1 12 LYS HG2 1 13 THR H 3.730 2.015 5.446 2.704 2.329 3.203 . 0 0 "[ . 1 . 2]" 1
166 1 12 LYS HG2 1 16 GLY H 3.860 2.045 5.676 3.262 3.160 3.438 . 0 0 "[ . 1 . 2]" 1
167 1 12 LYS HG2 1 16 GLY HA2 3.960 2.068 5.853 2.338 2.065 2.582 0.003 3 0 "[ . 1 . 2]" 1
168 1 12 LYS HG2 1 16 GLY HA3 3.061 . 4.261 4.052 3.792 4.270 0.009 18 0 "[ . 1 . 2]" 1
169 1 12 LYS HG3 1 13 THR H 3.668 2.000 5.335 2.951 2.561 3.338 . 0 0 "[ . 1 . 2]" 1
170 1 12 LYS HG3 1 16 GLY H 3.819 2.035 5.603 4.175 3.465 4.708 . 0 0 "[ . 1 . 2]" 1
171 1 12 LYS HG3 1 16 GLY HA2 3.863 2.045 5.681 2.630 2.042 3.044 0.003 20 0 "[ . 1 . 2]" 1
172 1 12 LYS HG3 1 16 GLY HA3 3.147 . 4.413 4.135 3.672 4.422 0.009 14 0 "[ . 1 . 2]" 1
173 1 12 LYS HG3 1 18 THR H 3.559 . 5.143 4.111 3.571 4.654 . 0 0 "[ . 1 . 2]" 1
174 1 12 LYS HG3 1 18 THR HA 3.546 . 5.119 3.515 2.850 4.204 . 0 0 "[ . 1 . 2]" 1
175 1 13 THR H 1 16 GLY H 3.991 2.075 5.908 3.763 3.532 3.931 . 0 0 "[ . 1 . 2]" 1
176 1 13 THR H 1 17 LYS H 3.450 . 4.951 2.500 2.189 2.880 . 0 0 "[ . 1 . 2]" 1
177 1 13 THR H 1 17 LYS HB2 3.920 2.058 5.781 3.486 3.263 3.683 . 0 0 "[ . 1 . 2]" 1
178 1 13 THR H 1 18 THR HA 3.669 2.001 5.337 3.716 3.436 4.016 . 0 0 "[ . 1 . 2]" 1
179 1 13 THR H 1 19 TYR H 4.017 2.081 5.954 4.577 4.080 5.166 . 0 0 "[ . 1 . 2]" 1
180 1 13 THR H 1 19 TYR QD 4.096 2.099 6.093 4.161 3.634 4.741 . 0 0 "[ . 1 . 2]" 1
181 1 13 THR H 1 19 TYR QE 4.235 2.131 6.340 4.395 3.750 5.233 . 0 0 "[ . 1 . 2]" 1
182 1 13 THR HA 1 14 ALA H 2.395 . 3.084 2.307 2.285 2.333 . 0 0 "[ . 1 . 2]" 1
183 1 13 THR HA 1 14 ALA HA 3.871 2.047 5.694 4.313 4.285 4.365 . 0 0 "[ . 1 . 2]" 1
184 1 13 THR HA 1 14 ALA MB 3.692 2.006 5.378 4.136 4.111 4.160 . 0 0 "[ . 1 . 2]" 1
185 1 13 THR HA 1 19 TYR QE 3.632 . 5.271 4.207 3.362 5.274 0.002 18 0 "[ . 1 . 2]" 1
186 1 13 THR HB 1 14 ALA H 2.440 . 3.164 2.741 2.711 2.800 . 0 0 "[ . 1 . 2]" 1
187 1 13 THR HB 1 14 ALA MB 3.771 2.024 5.519 3.965 3.897 4.025 . 0 0 "[ . 1 . 2]" 1
188 1 13 THR MG 1 14 ALA H 3.675 2.002 5.348 3.755 3.656 3.867 . 0 0 "[ . 1 . 2]" 1
189 1 13 THR MG 1 19 TYR H 4.225 2.129 6.320 4.208 3.623 4.953 . 0 0 "[ . 1 . 2]" 1
190 1 13 THR MG 1 19 TYR QD 3.593 . 5.204 2.608 1.982 3.483 0.001 20 0 "[ . 1 . 2]" 1
191 1 13 THR MG 1 19 TYR QE 3.704 2.009 5.399 2.452 2.004 3.194 0.005 15 0 "[ . 1 . 2]" 1
192 1 13 THR MG 1 30 TRP HH2 3.425 . 4.905 2.985 1.942 4.051 0.002 17 0 "[ . 1 . 2]" 1
193 1 13 THR MG 1 30 TRP HZ2 4.044 2.087 6.001 4.852 3.975 5.999 . 0 0 "[ . 1 . 2]" 1
194 1 13 THR MG 1 30 TRP HZ3 3.541 . 5.111 3.599 2.761 4.435 . 0 0 "[ . 1 . 2]" 1
195 1 14 ALA H 1 15 ASP H 3.280 . 4.650 3.015 2.928 3.142 . 0 0 "[ . 1 . 2]" 1
196 1 14 ALA HA 1 15 ASP H 3.366 . 4.801 3.541 3.505 3.576 . 0 0 "[ . 1 . 2]" 1
197 1 14 ALA MB 1 15 ASP H 3.535 . 5.100 2.746 2.634 2.833 . 0 0 "[ . 1 . 2]" 1
198 1 14 ALA MB 1 16 GLY H 4.135 2.108 6.162 4.262 4.179 4.339 . 0 0 "[ . 1 . 2]" 1
199 1 15 ASP H 1 16 GLY H 2.143 . 2.643 2.442 2.318 2.531 . 0 0 "[ . 1 . 2]" 1
200 1 15 ASP HA 1 16 GLY H 3.104 . 4.338 3.285 3.207 3.358 . 0 0 "[ . 1 . 2]" 1
201 1 15 ASP HA 1 16 GLY HA2 4.119 2.104 6.133 4.981 4.910 5.025 . 0 0 "[ . 1 . 2]" 1
202 1 15 ASP HB2 1 16 GLY H 3.933 2.061 5.804 4.300 3.992 4.413 . 0 0 "[ . 1 . 2]" 1
203 1 15 ASP HB3 1 16 GLY H 3.936 2.062 5.809 4.271 4.145 4.411 . 0 0 "[ . 1 . 2]" 1
204 1 16 GLY H 1 17 LYS H 2.665 . 3.561 2.458 2.358 2.687 . 0 0 "[ . 1 . 2]" 1
205 1 16 GLY H 1 17 LYS HB2 3.836 2.039 5.633 4.730 4.536 4.896 . 0 0 "[ . 1 . 2]" 1
206 1 16 GLY HA2 1 17 LYS H 3.467 . 4.981 2.797 2.569 2.998 . 0 0 "[ . 1 . 2]" 1
207 1 16 GLY HA3 1 17 LYS H 3.527 . 5.087 3.548 3.510 3.568 . 0 0 "[ . 1 . 2]" 1
208 1 17 LYS HA 1 18 THR H 2.288 . 2.894 2.162 2.140 2.202 . 0 0 "[ . 1 . 2]" 1
209 1 17 LYS HA 1 30 TRP HZ3 3.983 2.073 5.892 3.954 3.486 4.444 . 0 0 "[ . 1 . 2]" 1
210 1 17 LYS HB2 1 18 THR H 3.076 . 4.287 4.234 4.126 4.296 0.009 18 0 "[ . 1 . 2]" 1
211 1 17 LYS HB2 1 19 TYR QD 4.099 2.100 6.098 4.409 3.903 5.054 . 0 0 "[ . 1 . 2]" 1
212 1 17 LYS HB2 1 30 TRP HE3 3.707 2.009 5.405 4.819 3.645 5.407 0.002 18 0 "[ . 1 . 2]" 1
213 1 17 LYS HB2 1 30 TRP HH2 3.523 . 5.079 3.533 3.045 4.062 . 0 0 "[ . 1 . 2]" 1
214 1 17 LYS HB2 1 30 TRP HZ3 2.876 . 3.934 2.769 2.068 3.195 . 0 0 "[ . 1 . 2]" 1
215 1 17 LYS HB3 1 18 THR H 3.824 2.036 5.612 3.373 3.180 3.610 . 0 0 "[ . 1 . 2]" 1
216 1 17 LYS HG2 1 18 THR H 3.652 . 5.307 5.111 4.854 5.225 . 0 0 "[ . 1 . 2]" 1
217 1 18 THR HA 1 19 TYR H 2.198 . 2.735 2.161 2.118 2.198 . 0 0 "[ . 1 . 2]" 1
218 1 18 THR HB 1 19 TYR H 2.884 . 3.949 3.705 3.357 3.965 0.016 18 0 "[ . 1 . 2]" 1
219 1 18 THR HB 1 20 TYR QD 4.264 2.138 6.390 4.470 3.817 5.386 . 0 0 "[ . 1 . 2]" 1
220 1 18 THR HB 1 20 TYR QE 3.932 2.061 5.802 3.511 2.578 4.458 . 0 0 "[ . 1 . 2]" 1
221 1 18 THR MG 1 19 TYR H 3.422 . 4.901 3.829 2.671 4.093 . 0 0 "[ . 1 . 2]" 1
222 1 18 THR MG 1 20 TYR QD 4.018 2.081 5.956 5.117 3.530 5.724 . 0 0 "[ . 1 . 2]" 1
223 1 18 THR MG 1 20 TYR QE 3.783 2.027 5.540 4.053 2.871 4.981 . 0 0 "[ . 1 . 2]" 1
224 1 19 TYR HA 1 20 TYR H 2.935 . 4.039 2.169 2.099 2.238 . 0 0 "[ . 1 . 2]" 1
225 1 19 TYR HA 1 20 TYR QD 3.380 . 4.826 3.959 2.657 4.394 . 0 0 "[ . 1 . 2]" 1
226 1 19 TYR HA 1 20 TYR QE 3.867 2.046 5.688 4.811 4.144 5.236 . 0 0 "[ . 1 . 2]" 1
227 1 19 TYR HA 1 30 TRP HZ3 3.931 2.061 5.800 4.104 3.509 4.445 . 0 0 "[ . 1 . 2]" 1
228 1 19 TYR HB2 1 20 TYR H 3.404 . 4.869 3.103 2.865 3.304 . 0 0 "[ . 1 . 2]" 1
229 1 19 TYR HB2 1 30 TRP HE3 3.590 . 5.198 4.457 4.153 4.920 . 0 0 "[ . 1 . 2]" 1
230 1 19 TYR HB2 1 30 TRP HH2 3.967 2.069 5.864 4.868 4.526 5.127 . 0 0 "[ . 1 . 2]" 1
231 1 19 TYR HB2 1 30 TRP HZ2 4.156 2.113 6.199 4.980 4.421 5.420 . 0 0 "[ . 1 . 2]" 1
232 1 19 TYR HB2 1 30 TRP HZ3 3.267 . 4.627 4.612 4.467 4.635 0.008 7 0 "[ . 1 . 2]" 1
233 1 19 TYR HB3 1 20 TYR H 3.191 . 4.492 4.121 4.009 4.214 . 0 0 "[ . 1 . 2]" 1
234 1 19 TYR HB3 1 28 SER HB2 4.070 2.093 6.047 5.609 4.074 6.054 0.007 4 0 "[ . 1 . 2]" 1
235 1 19 TYR HB3 1 30 TRP HE3 3.742 2.017 5.467 3.294 2.868 4.067 . 0 0 "[ . 1 . 2]" 1
236 1 19 TYR HB3 1 30 TRP HH2 4.063 2.092 6.035 3.363 3.099 3.655 . 0 0 "[ . 1 . 2]" 1
237 1 19 TYR HB3 1 30 TRP HZ2 4.216 2.127 6.305 4.089 3.728 4.467 . 0 0 "[ . 1 . 2]" 1
238 1 19 TYR HB3 1 30 TRP HZ3 3.695 2.007 5.384 2.911 2.755 3.090 . 0 0 "[ . 1 . 2]" 1
239 1 19 TYR QD 1 21 TYR HB2 3.520 . 5.074 3.192 2.808 3.634 . 0 0 "[ . 1 . 2]" 1
240 1 19 TYR QD 1 28 SER HA 4.277 2.141 6.413 3.716 3.055 4.031 . 0 0 "[ . 1 . 2]" 1
241 1 19 TYR QD 1 28 SER HB2 3.427 . 4.908 3.733 2.563 4.346 . 0 0 "[ . 1 . 2]" 1
242 1 19 TYR QD 1 29 THR H 4.068 2.093 6.044 4.495 3.754 5.083 . 0 0 "[ . 1 . 2]" 1
243 1 19 TYR QD 1 30 TRP HE3 4.111 2.103 6.120 4.685 4.150 5.458 . 0 0 "[ . 1 . 2]" 1
244 1 19 TYR QD 1 30 TRP HZ2 4.191 2.121 6.261 4.892 4.392 5.413 . 0 0 "[ . 1 . 2]" 1
245 1 19 TYR QD 1 30 TRP HZ3 3.422 . 4.900 3.072 2.556 3.823 . 0 0 "[ . 1 . 2]" 1
246 1 19 TYR QE 1 21 TYR HA 4.474 2.186 6.761 5.130 4.370 5.817 . 0 0 "[ . 1 . 2]" 1
247 1 19 TYR QE 1 21 TYR HB2 3.538 . 5.105 3.139 2.343 3.911 . 0 0 "[ . 1 . 2]" 1
248 1 19 TYR QE 1 21 TYR HB3 3.628 . 5.265 4.510 3.750 5.115 . 0 0 "[ . 1 . 2]" 1
249 1 19 TYR QE 1 21 TYR QD 4.044 2.087 5.923 3.795 2.866 4.933 . 0 0 "[ . 1 . 2]" 1
250 1 19 TYR QE 1 28 SER HA 4.443 2.179 6.706 5.328 4.253 5.850 . 0 0 "[ . 1 . 2]" 1
251 1 19 TYR QE 1 28 SER HB2 3.833 2.038 5.628 4.917 4.001 5.632 0.004 2 0 "[ . 1 . 2]" 1
252 1 19 TYR QE 1 30 TRP HZ3 4.234 2.131 6.337 5.214 4.626 6.047 . 0 0 "[ . 1 . 2]" 1
253 1 20 TYR H 1 29 THR H 3.779 2.026 5.532 3.198 2.998 3.409 . 0 0 "[ . 1 . 2]" 1
254 1 20 TYR H 1 29 THR MG 4.141 2.109 6.172 3.778 3.210 5.170 . 0 0 "[ . 1 . 2]" 1
255 1 20 TYR HA 1 21 TYR H 2.825 . 3.844 2.113 2.085 2.150 . 0 0 "[ . 1 . 2]" 1
256 1 20 TYR HB2 1 21 TYR H 3.699 2.007 5.390 4.203 4.124 4.282 . 0 0 "[ . 1 . 2]" 1
257 1 20 TYR HB2 1 29 THR MG 3.630 . 5.268 2.989 2.247 4.796 . 0 0 "[ . 1 . 2]" 1
258 1 20 TYR HB3 1 21 TYR H 3.816 2.034 5.597 3.350 3.197 3.483 . 0 0 "[ . 1 . 2]" 1
259 1 20 TYR QD 1 21 TYR H 4.040 2.086 5.994 4.045 3.782 4.669 . 0 0 "[ . 1 . 2]" 1
260 1 20 TYR QD 1 29 THR MG 3.811 2.033 5.589 3.379 2.766 4.873 . 0 0 "[ . 1 . 2]" 1
261 1 20 TYR QD 1 30 TRP HA 3.665 . 5.330 3.702 2.585 4.442 . 0 0 "[ . 1 . 2]" 1
262 1 20 TYR QD 1 31 GLU H 4.143 2.110 6.177 3.987 3.122 4.517 . 0 0 "[ . 1 . 2]" 1
263 1 20 TYR QD 1 32 LYS H 4.301 2.146 6.455 4.597 4.278 5.571 . 0 0 "[ . 1 . 2]" 1
264 1 20 TYR QD 1 32 LYS HA 3.280 . 4.648 2.926 2.569 3.965 . 0 0 "[ . 1 . 2]" 1
265 1 20 TYR QD 1 32 LYS HB3 3.726 2.014 5.438 5.382 4.954 5.450 0.012 5 0 "[ . 1 . 2]" 1
266 1 20 TYR QD 1 32 LYS HG2 4.274 2.140 6.407 5.107 3.699 5.955 . 0 0 "[ . 1 . 2]" 1
267 1 20 TYR QD 1 33 PRO HD2 3.054 . 4.250 3.405 2.825 4.170 . 0 0 "[ . 1 . 2]" 1
268 1 20 TYR QD 1 33 PRO HD3 3.905 2.055 5.756 3.052 2.079 4.198 . 0 0 "[ . 1 . 2]" 1
269 1 20 TYR QD 1 33 PRO HG2 4.405 2.170 6.640 4.693 3.884 5.291 . 0 0 "[ . 1 . 2]" 1
270 1 20 TYR QD 1 33 PRO HG3 4.505 2.193 6.817 4.358 3.705 5.832 . 0 0 "[ . 1 . 2]" 1
271 1 20 TYR QD 1 36 LEU MD2 3.791 2.029 5.553 2.845 2.022 3.667 0.007 6 0 "[ . 1 . 2]" 1
272 1 20 TYR HD2 1 32 LYS HG3 4.070 2.093 6.047 4.701 3.865 5.403 . 0 0 "[ . 1 . 2]" 1
273 1 20 TYR QE 1 29 THR MG 4.292 2.144 6.440 5.155 4.532 6.278 . 0 0 "[ . 1 . 2]" 1
274 1 20 TYR QE 1 30 TRP HA 3.977 2.072 5.882 4.467 3.139 5.284 . 0 0 "[ . 1 . 2]" 1
275 1 20 TYR QE 1 32 LYS H 3.841 2.040 5.641 4.209 3.671 5.013 . 0 0 "[ . 1 . 2]" 1
276 1 20 TYR QE 1 32 LYS HA 3.411 . 4.882 3.041 2.523 4.147 . 0 0 "[ . 1 . 2]" 1
277 1 20 TYR QE 1 32 LYS HB2 3.870 2.047 5.693 3.385 2.428 5.192 . 0 0 "[ . 1 . 2]" 1
278 1 20 TYR QE 1 32 LYS HB3 3.469 . 4.983 4.513 4.075 4.987 0.004 5 0 "[ . 1 . 2]" 1
279 1 20 TYR QE 1 32 LYS HE2 3.797 2.030 5.565 4.650 2.027 5.572 0.007 20 0 "[ . 1 . 2]" 1
280 1 20 TYR QE 1 32 LYS HG2 3.980 2.072 5.888 4.263 2.415 5.237 . 0 0 "[ . 1 . 2]" 1
281 1 20 TYR QE 1 32 LYS HG3 3.887 2.051 5.724 3.425 2.600 4.815 . 0 0 "[ . 1 . 2]" 1
282 1 20 TYR QE 1 33 PRO HD2 3.544 . 5.116 4.043 3.402 5.120 0.004 6 0 "[ . 1 . 2]" 1
283 1 20 TYR QE 1 33 PRO HD3 3.991 2.075 5.908 4.434 3.624 5.272 . 0 0 "[ . 1 . 2]" 1
284 1 20 TYR QE 1 36 LEU MD2 3.878 2.049 5.708 2.777 2.048 3.471 0.001 3 0 "[ . 1 . 2]" 1
285 1 21 TYR HA 1 22 ASN H 2.924 . 4.020 2.136 2.099 2.162 . 0 0 "[ . 1 . 2]" 1
286 1 21 TYR HA 1 28 SER HA 3.642 . 5.291 2.376 2.185 2.544 . 0 0 "[ . 1 . 2]" 1
287 1 21 TYR HA 1 28 SER HB2 3.980 2.072 5.887 4.754 3.600 5.186 . 0 0 "[ . 1 . 2]" 1
288 1 21 TYR HB2 1 22 ASN H 3.701 2.008 5.395 4.326 4.242 4.421 . 0 0 "[ . 1 . 2]" 1
289 1 21 TYR HB2 1 28 SER HA 4.119 2.104 6.133 3.891 3.469 4.209 . 0 0 "[ . 1 . 2]" 1
290 1 21 TYR HB2 1 28 SER HB2 4.014 2.080 5.947 5.125 3.936 5.838 . 0 0 "[ . 1 . 2]" 1
291 1 21 TYR HB3 1 22 ASN H 3.803 2.032 5.575 4.299 4.131 4.425 . 0 0 "[ . 1 . 2]" 1
292 1 21 TYR QD 1 22 ASN H 3.916 2.058 5.775 3.695 3.184 3.935 . 0 0 "[ . 1 . 2]" 1
293 1 21 TYR QD 1 23 ASN HB2 3.938 2.063 5.814 5.169 4.709 5.498 . 0 0 "[ . 1 . 2]" 1
294 1 21 TYR QD 1 23 ASN HB3 4.106 2.101 6.111 5.108 4.508 5.497 . 0 0 "[ . 1 . 2]" 1
295 1 21 TYR QD 1 26 TRP HA 3.539 . 5.107 4.144 3.769 4.640 . 0 0 "[ . 1 . 2]" 1
296 1 21 TYR QD 1 28 SER HA 4.027 2.083 5.970 3.532 3.102 4.326 . 0 0 "[ . 1 . 2]" 1
297 1 21 TYR QD 1 28 SER HB2 3.596 . 5.208 4.034 2.408 4.676 . 0 0 "[ . 1 . 2]" 1
298 1 21 TYR QE 1 23 ASN HB2 3.512 . 5.060 4.870 4.631 5.066 0.006 16 0 "[ . 1 . 2]" 1
299 1 21 TYR QE 1 23 ASN HB3 3.920 2.058 5.781 4.049 3.672 4.295 . 0 0 "[ . 1 . 2]" 1
300 1 21 TYR QE 1 26 TRP H 4.077 2.095 6.060 4.671 4.089 5.162 . 0 0 "[ . 1 . 2]" 1
301 1 21 TYR QE 1 26 TRP HA 2.744 . 3.702 2.900 2.319 3.533 . 0 0 "[ . 1 . 2]" 1
302 1 21 TYR QE 1 26 TRP HB2 4.003 2.078 5.927 4.698 4.350 5.384 . 0 0 "[ . 1 . 2]" 1
303 1 21 TYR QE 1 26 TRP HB3 3.849 2.042 5.656 3.289 2.829 3.941 . 0 0 "[ . 1 . 2]" 1
304 1 21 TYR QE 1 26 TRP HE3 4.349 2.157 6.541 5.109 3.806 6.550 0.009 16 0 "[ . 1 . 2]" 1
305 1 21 TYR QE 1 28 SER HB2 3.957 2.067 5.846 5.386 3.537 5.849 0.002 11 0 "[ . 1 . 2]" 1
306 1 22 ASN H 1 28 SER HA 3.809 2.033 5.585 3.570 3.370 3.791 . 0 0 "[ . 1 . 2]" 1
307 1 22 ASN HA 1 23 ASN H 2.410 . 3.111 2.148 2.107 2.225 . 0 0 "[ . 1 . 2]" 1
308 1 22 ASN HB2 1 23 ASN H 4.004 2.078 5.931 4.213 4.049 4.361 . 0 0 "[ . 1 . 2]" 1
309 1 22 ASN HB2 1 25 THR H 3.848 2.042 5.654 4.685 4.432 5.003 . 0 0 "[ . 1 . 2]" 1
310 1 22 ASN HB2 1 27 GLU H 3.284 . 4.657 4.336 4.128 4.664 0.008 3 0 "[ . 1 . 2]" 1
311 1 22 ASN HB3 1 23 ASN H 4.204 2.124 6.284 4.242 4.108 4.310 . 0 0 "[ . 1 . 2]" 1
312 1 22 ASN HB3 1 25 THR H 4.245 2.133 6.356 3.383 2.947 3.693 . 0 0 "[ . 1 . 2]" 1
313 1 22 ASN HB3 1 26 TRP H 4.225 2.129 5.443 3.910 3.573 4.232 . 0 0 "[ . 1 . 2]" 1
314 1 22 ASN HB3 1 27 GLU H 3.706 2.009 5.403 2.643 2.428 2.966 . 0 0 "[ . 1 . 2]" 1
315 1 22 ASN HD21 1 24 ARG HG2 3.661 . 5.324 5.224 4.912 5.337 0.012 19 0 "[ . 1 . 2]" 1
316 1 22 ASN HD21 1 24 ARG HH21 3.934 2.062 5.807 4.439 3.433 5.803 . 0 0 "[ . 1 . 2]" 1
317 1 23 ASN H 1 24 ARG H 2.455 . 3.190 2.568 2.313 2.649 . 0 0 "[ . 1 . 2]" 1
318 1 23 ASN H 1 25 THR H 3.934 2.062 5.807 4.629 4.253 4.981 . 0 0 "[ . 1 . 2]" 1
319 1 23 ASN HA 1 24 ARG H 3.103 . 4.336 3.327 3.240 3.412 . 0 0 "[ . 1 . 2]" 1
320 1 23 ASN HA 1 25 THR H 3.555 . 5.136 4.494 4.071 4.985 . 0 0 "[ . 1 . 2]" 1
321 1 23 ASN HB2 1 24 ARG H 3.528 . 5.088 3.484 3.224 3.672 . 0 0 "[ . 1 . 2]" 1
322 1 23 ASN HB2 1 26 TRP HD1 3.919 2.058 5.780 5.675 5.178 5.790 0.010 17 0 "[ . 1 . 2]" 1
323 1 23 ASN HB3 1 24 ARG H 4.226 2.129 6.322 4.220 4.097 4.337 . 0 0 "[ . 1 . 2]" 1
324 1 23 ASN HB3 1 26 TRP HD1 3.920 2.058 5.781 4.684 4.051 4.983 . 0 0 "[ . 1 . 2]" 1
325 1 24 ARG H 1 25 THR H 2.788 . 3.778 2.461 2.202 2.670 . 0 0 "[ . 1 . 2]" 1
326 1 24 ARG H 1 25 THR MG 4.077 2.095 6.060 4.515 3.843 4.912 . 0 0 "[ . 1 . 2]" 1
327 1 24 ARG HA 1 25 THR H 3.537 . 5.104 3.535 3.419 3.569 . 0 0 "[ . 1 . 2]" 1
328 1 24 ARG HA 1 26 TRP H 3.829 2.038 5.621 4.296 4.088 4.436 . 0 0 "[ . 1 . 2]" 1
329 1 24 ARG HA 1 26 TRP HD1 3.742 2.017 5.467 4.618 3.731 5.472 0.005 20 0 "[ . 1 . 2]" 1
330 1 24 ARG HA 1 26 TRP HE1 3.939 2.063 5.816 5.108 4.382 5.662 . 0 0 "[ . 1 . 2]" 1
331 1 24 ARG HB2 1 25 THR H 3.287 . 4.662 2.481 1.991 3.182 . 0 0 "[ . 1 . 2]" 1
332 1 24 ARG HB2 1 25 THR MG 3.841 2.040 5.642 2.998 2.770 3.234 . 0 0 "[ . 1 . 2]" 1
333 1 24 ARG HB3 1 25 THR H 3.454 . 4.957 3.623 3.228 4.031 . 0 0 "[ . 1 . 2]" 1
334 1 24 ARG HD2 1 25 THR MG 4.371 2.162 6.579 5.047 4.565 5.995 . 0 0 "[ . 1 . 2]" 1
335 1 24 ARG HD3 1 25 THR MG 4.306 2.147 6.464 5.944 5.497 6.406 . 0 0 "[ . 1 . 2]" 1
336 1 24 ARG HE 1 25 THR MG 4.273 2.140 6.406 3.852 3.113 5.078 . 0 0 "[ . 1 . 2]" 1
337 1 24 ARG HG2 1 25 THR H 4.047 2.088 6.006 4.838 4.539 5.024 . 0 0 "[ . 1 . 2]" 1
338 1 24 ARG HG3 1 25 THR H 3.935 2.062 5.808 4.102 3.589 4.645 . 0 0 "[ . 1 . 2]" 1
339 1 24 ARG HG3 1 25 THR MG 3.802 2.031 5.572 5.086 4.723 5.265 . 0 0 "[ . 1 . 2]" 1
340 1 24 ARG HH21 1 25 THR MG 3.631 . 5.269 4.550 3.348 5.273 0.004 17 0 "[ . 1 . 2]" 1
341 1 25 THR H 1 27 GLU H 3.843 2.041 5.646 3.360 3.208 3.599 . 0 0 "[ . 1 . 2]" 1
342 1 25 THR HB 1 26 TRP H 3.949 2.065 5.832 4.226 4.071 4.508 . 0 0 "[ . 1 . 2]" 1
343 1 25 THR HB 1 27 GLU H 3.920 2.059 5.782 4.116 3.515 5.003 . 0 0 "[ . 1 . 2]" 1
344 1 25 THR MG 1 26 TRP H 4.061 2.091 6.030 4.112 3.150 4.359 . 0 0 "[ . 1 . 2]" 1
345 1 25 THR MG 1 27 GLU H 4.355 2.159 6.550 4.344 2.373 4.942 . 0 0 "[ . 1 . 2]" 1
346 1 26 TRP H 1 27 GLU H 3.252 . 4.600 2.579 2.500 2.701 . 0 0 "[ . 1 . 2]" 1
347 1 26 TRP HB2 1 27 GLU H 4.070 2.093 6.047 4.152 4.093 4.194 . 0 0 "[ . 1 . 2]" 1
348 1 27 GLU HA 1 28 SER H 2.277 . 2.874 2.162 2.066 2.244 . 0 0 "[ . 1 . 2]" 1
349 1 27 GLU HA 1 28 SER HB2 3.775 2.025 5.525 4.859 4.462 5.549 0.024 19 0 "[ . 1 . 2]" 1
350 1 27 GLU HB2 1 28 SER H 3.159 . 4.436 4.166 4.022 4.322 . 0 0 "[ . 1 . 2]" 1
351 1 27 GLU HB3 1 28 SER H 3.385 . 4.836 4.117 3.900 4.266 . 0 0 "[ . 1 . 2]" 1
352 1 27 GLU HG2 1 28 SER H 3.701 2.008 5.394 4.368 3.996 4.641 . 0 0 "[ . 1 . 2]" 1
353 1 27 GLU HG3 1 28 SER H 3.629 . 5.267 2.939 2.620 3.331 . 0 0 "[ . 1 . 2]" 1
354 1 28 SER HA 1 29 THR H 3.295 . 4.676 2.160 2.129 2.200 . 0 0 "[ . 1 . 2]" 1
355 1 28 SER HA 1 29 THR MG 4.336 2.154 6.518 4.049 3.708 5.477 . 0 0 "[ . 1 . 2]" 1
356 1 28 SER HB2 1 29 THR H 3.517 . 5.068 4.162 3.560 4.396 . 0 0 "[ . 1 . 2]" 1
357 1 29 THR MG 1 31 GLU H 3.657 . 5.316 2.454 1.987 2.984 0.011 7 0 "[ . 1 . 2]" 1
358 1 29 THR MG 1 31 GLU HA 4.336 2.155 6.518 4.358 3.952 4.695 . 0 0 "[ . 1 . 2]" 1
359 1 29 THR MG 1 31 GLU HB2 3.876 2.048 5.703 3.348 2.294 4.811 . 0 0 "[ . 1 . 2]" 1
360 1 29 THR MG 1 31 GLU HG2 4.220 2.128 6.313 4.370 2.126 5.619 0.002 7 0 "[ . 1 . 2]" 1
361 1 29 THR MG 1 32 LYS HA 4.000 2.077 5.923 4.428 3.981 5.254 . 0 0 "[ . 1 . 2]" 1
362 1 29 THR MG 1 33 PRO HD2 3.618 . 5.248 4.774 4.186 5.255 0.007 7 0 "[ . 1 . 2]" 1
363 1 29 THR MG 1 33 PRO HD3 4.205 2.124 6.286 3.425 2.830 3.955 . 0 0 "[ . 1 . 2]" 1
364 1 29 THR MG 1 33 PRO HG2 4.438 2.178 6.698 5.307 3.672 6.459 . 0 0 "[ . 1 . 2]" 1
365 1 29 THR MG 1 33 PRO HG3 4.341 2.156 6.526 4.255 2.513 5.478 . 0 0 "[ . 1 . 2]" 1
366 1 30 TRP HA 1 31 GLU H 3.540 . 5.109 3.281 3.042 3.460 . 0 0 "[ . 1 . 2]" 1
367 1 30 TRP HB2 1 31 GLU H 3.802 2.031 5.572 3.446 2.928 3.914 . 0 0 "[ . 1 . 2]" 1
368 1 30 TRP HB3 1 31 GLU H 3.691 2.006 5.376 4.269 3.881 4.435 . 0 0 "[ . 1 . 2]" 1
369 1 31 GLU HA 1 32 LYS H 2.063 . 2.563 2.351 2.211 2.502 . 0 0 "[ . 1 . 2]" 1
370 1 31 GLU HA 1 32 LYS HA 4.031 2.084 5.979 4.316 4.252 4.365 . 0 0 "[ . 1 . 2]" 1
371 1 31 GLU HB2 1 32 LYS H 3.422 . 4.901 3.725 2.329 4.390 . 0 0 "[ . 1 . 2]" 1
372 1 31 GLU HB3 1 32 LYS H 3.685 2.004 5.366 3.170 2.428 4.100 . 0 0 "[ . 1 . 2]" 1
373 1 31 GLU HG2 1 32 LYS H 3.417 . 4.892 4.249 2.364 4.907 0.015 7 0 "[ . 1 . 2]" 1
374 1 32 LYS HA 1 36 LEU MD2 4.135 2.108 6.161 3.761 2.922 4.687 . 0 0 "[ . 1 . 2]" 1
375 1 32 LYS HA 1 36 LEU HG 3.949 2.065 5.833 5.472 4.883 5.837 0.004 1 0 "[ . 1 . 2]" 1
376 1 32 LYS HB2 1 33 PRO HD2 3.862 2.045 5.678 4.216 3.713 4.767 . 0 0 "[ . 1 . 2]" 1
377 1 32 LYS HB2 1 36 LEU MD2 4.112 2.103 6.122 4.814 3.373 5.986 . 0 0 "[ . 1 . 2]" 1
378 1 32 LYS HE2 1 36 LEU MD2 4.310 2.148 6.472 4.001 2.744 5.479 . 0 0 "[ . 1 . 2]" 1
379 1 32 LYS HE2 1 36 LEU HG 3.369 . 4.807 3.735 2.076 4.813 0.006 20 0 "[ . 1 . 2]" 1
380 1 32 LYS HG2 1 36 LEU HB3 3.360 . 4.790 3.611 2.825 4.794 0.004 17 0 "[ . 1 . 2]" 1
381 1 32 LYS HG2 1 36 LEU MD2 3.858 2.044 5.672 3.676 2.042 5.192 0.002 3 0 "[ . 1 . 2]" 1
382 1 32 LYS HG2 1 36 LEU HG 3.625 . 5.260 4.115 3.013 5.127 . 0 0 "[ . 1 . 2]" 1
383 1 32 LYS HG3 1 33 PRO HD2 4.018 2.081 5.955 3.210 2.328 5.368 . 0 0 "[ . 1 . 2]" 1
384 1 32 LYS HG3 1 33 PRO HD3 4.008 2.079 5.937 4.379 3.447 5.537 . 0 0 "[ . 1 . 2]" 1
385 1 32 LYS HG3 1 36 LEU HB3 3.853 2.043 5.663 3.898 2.387 5.668 0.005 2 0 "[ . 1 . 2]" 1
386 1 32 LYS HG3 1 36 LEU MD2 4.080 2.095 6.064 3.318 2.091 4.601 0.004 16 0 "[ . 1 . 2]" 1
387 1 32 LYS HG3 1 36 LEU HG 4.044 2.087 6.001 4.131 2.782 5.905 . 0 0 "[ . 1 . 2]" 1
388 1 33 PRO HA 1 34 GLN H 2.075 . 2.575 2.224 2.175 2.276 . 0 0 "[ . 1 . 2]" 1
389 1 33 PRO HA 1 35 GLU H 3.767 2.023 5.511 3.951 3.668 4.083 . 0 0 "[ . 1 . 2]" 1
390 1 33 PRO HB2 1 34 GLN H 3.390 . 4.844 3.234 3.035 3.730 . 0 0 "[ . 1 . 2]" 1
391 1 33 PRO HB2 1 35 GLU H 3.770 2.024 5.516 2.557 2.320 2.935 . 0 0 "[ . 1 . 2]" 1
392 1 33 PRO HB2 1 35 GLU HG2 3.697 2.007 5.387 2.514 2.001 4.608 0.006 19 0 "[ . 1 . 2]" 1
393 1 33 PRO HB3 1 34 GLN H 3.653 . 5.310 3.490 3.121 3.716 . 0 0 "[ . 1 . 2]" 1
394 1 33 PRO HB3 1 35 GLU H 3.663 . 5.326 3.815 3.107 4.228 . 0 0 "[ . 1 . 2]" 1
395 1 33 PRO HB3 1 35 GLU HB3 4.017 2.081 5.954 5.548 3.468 5.965 0.012 8 0 "[ . 1 . 2]" 1
396 1 33 PRO HB3 1 35 GLU HG2 3.907 2.055 5.758 3.809 2.684 5.761 0.003 18 0 "[ . 1 . 2]" 1
397 1 33 PRO HB3 1 36 LEU H 3.807 2.032 5.581 4.685 4.314 5.118 . 0 0 "[ . 1 . 2]" 1
398 1 33 PRO HD2 1 36 LEU MD2 4.062 2.091 6.032 2.664 2.088 3.713 0.003 20 0 "[ . 1 . 2]" 1
399 1 33 PRO HD3 1 36 LEU HB3 4.130 2.107 6.154 4.322 3.626 4.918 . 0 0 "[ . 1 . 2]" 1
400 1 33 PRO HD3 1 36 LEU MD2 3.912 2.057 5.768 3.895 2.923 4.944 . 0 0 "[ . 1 . 2]" 1
401 1 33 PRO HG2 1 34 GLN H 4.385 2.166 6.604 5.004 4.653 5.534 . 0 0 "[ . 1 . 2]" 1
402 1 33 PRO HG2 1 36 LEU MD2 4.257 2.136 6.378 3.087 2.300 4.967 . 0 0 "[ . 1 . 2]" 1
403 1 33 PRO HG3 1 36 LEU MD2 4.395 2.168 6.622 3.834 2.929 5.619 . 0 0 "[ . 1 . 2]" 1
404 1 34 GLN H 1 35 GLU H 3.205 . 4.517 2.659 2.413 2.909 . 0 0 "[ . 1 . 2]" 1
405 1 34 GLN HA 1 35 GLU H 3.064 . 4.268 3.463 3.372 3.522 . 0 0 "[ . 1 . 2]" 1
406 1 34 GLN HA 1 36 LEU H 3.816 2.035 5.598 3.565 3.315 3.881 . 0 0 "[ . 1 . 2]" 1
407 1 34 GLN HA 1 37 LYS H 3.836 2.039 5.633 3.399 2.963 3.957 . 0 0 "[ . 1 . 2]" 1
408 1 34 GLN HA 1 37 LYS HB2 4.129 2.107 6.151 3.326 2.102 5.029 0.005 11 0 "[ . 1 . 2]" 1
409 1 34 GLN HA 1 37 LYS HB3 3.892 2.052 5.732 3.145 2.102 4.579 . 0 0 "[ . 1 . 2]" 1
410 1 34 GLN HA 1 37 LYS HG2 3.645 . 5.295 3.997 1.992 5.312 0.017 13 0 "[ . 1 . 2]" 1
411 1 34 GLN HA 1 37 LYS HG3 4.112 2.103 6.121 4.254 2.227 5.765 . 0 0 "[ . 1 . 2]" 1
412 1 34 GLN HB2 1 35 GLU H 2.918 . 4.009 3.464 2.887 4.022 0.012 5 0 "[ . 1 . 2]" 1
413 1 34 GLN HG2 1 35 GLU H 3.650 . 5.305 4.525 2.637 5.314 0.010 18 0 "[ . 1 . 2]" 1
414 1 35 GLU H 1 36 LEU H 3.314 . 4.709 2.513 2.317 2.640 . 0 0 "[ . 1 . 2]" 1
415 1 35 GLU HA 1 36 LEU H 3.317 . 4.714 3.298 3.206 3.446 . 0 0 "[ . 1 . 2]" 1
416 1 35 GLU HA 1 37 LYS H 3.838 2.040 5.637 3.841 3.283 4.499 . 0 0 "[ . 1 . 2]" 1
417 1 35 GLU HB2 1 36 LEU H 3.939 2.063 5.815 4.188 3.944 4.387 . 0 0 "[ . 1 . 2]" 1
418 1 35 GLU HB3 1 36 LEU H 3.844 2.041 5.647 4.291 3.165 4.529 . 0 0 "[ . 1 . 2]" 1
419 1 35 GLU HG2 1 36 LEU H 3.572 . 5.165 3.385 2.610 4.618 . 0 0 "[ . 1 . 2]" 1
420 1 35 GLU HG2 1 36 LEU HB2 3.525 . 5.083 3.779 3.168 5.083 . 15 0 "[ . 1 . 2]" 1
421 1 35 GLU HG2 1 36 LEU MD1 4.049 2.088 6.011 5.193 4.179 6.021 0.010 3 0 "[ . 1 . 2]" 1
422 1 36 LEU H 1 37 LYS H 2.177 . 2.698 2.060 1.806 2.286 . 0 0 "[ . 1 . 2]" 1
423 1 36 LEU HA 1 37 LYS H 2.823 . 3.840 3.151 3.014 3.346 . 0 0 "[ . 1 . 2]" 1
424 1 36 LEU HB3 1 37 LYS H 3.622 . 5.255 3.708 3.317 3.981 . 0 0 "[ . 1 . 2]" 1
425 1 36 LEU MD1 1 37 LYS H 4.305 2.147 6.463 4.592 4.359 4.698 . 0 0 "[ . 1 . 2]" 1
426 1 36 LEU MD2 1 37 LYS H 4.419 2.174 6.664 5.303 4.968 5.473 . 0 0 "[ . 1 . 2]" 1
427 1 36 LEU HG 1 37 LYS H 3.545 . 5.118 4.681 4.439 4.786 . 0 0 "[ . 1 . 2]" 1
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