NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
467011 |
2kyb   |
16944 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kyb
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 483
_Distance_constraint_stats_list.Viol_count 435
_Distance_constraint_stats_list.Viol_total 601.535
_Distance_constraint_stats_list.Viol_max 0.843
_Distance_constraint_stats_list.Viol_rms 0.0565
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0125
_Distance_constraint_stats_list.Viol_average_violations_only 0.1383
_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 LYS 2.299 0.402 6 0 "[ . 1]"
1 3 THR 3.229 0.402 6 0 "[ . 1]"
1 4 GLY 0.806 0.407 2 0 "[ . 1]"
1 5 ILE 1.073 0.256 2 0 "[ . 1]"
1 6 VAL 6.856 0.843 6 2 "[ -.+ 1]"
1 7 ASN 2.234 0.395 6 0 "[ . 1]"
1 8 VAL 3.949 0.843 6 2 "[ -.+ 1]"
1 9 SER 0.000 0.000 . 0 "[ . 1]"
1 10 SER 0.286 0.138 1 0 "[ . 1]"
1 11 SER 0.555 0.138 1 0 "[ . 1]"
1 12 LEU 2.347 0.414 10 0 "[ . 1]"
1 13 ASN 1.732 0.414 10 0 "[ . 1]"
1 14 VAL 2.155 0.349 2 0 "[ . 1]"
1 15 ARG 2.845 0.290 7 0 "[ . 1]"
1 16 SER 1.854 0.291 8 0 "[ . 1]"
1 17 SER 0.933 0.243 6 0 "[ . 1]"
1 18 ALA 5.877 0.589 3 1 "[ + . 1]"
1 19 SER 0.628 0.245 2 0 "[ . 1]"
1 20 THR 0.319 0.290 7 0 "[ . 1]"
1 21 SER 0.000 0.000 . 0 "[ . 1]"
1 22 SER 0.891 0.222 7 0 "[ . 1]"
1 23 LYS 1.790 0.342 7 0 "[ . 1]"
1 24 VAL 2.226 0.768 7 1 "[ . + 1]"
1 25 ILE 4.211 0.800 9 1 "[ . +1]"
1 26 GLY 1.622 0.349 2 0 "[ . 1]"
1 27 SER 1.153 0.329 7 0 "[ . 1]"
1 28 LEU 4.600 0.428 7 0 "[ . 1]"
1 29 SER 0.777 0.453 7 0 "[ . 1]"
1 30 GLY 1.471 0.296 2 0 "[ . 1]"
1 31 ASN 2.938 0.517 8 1 "[ . + 1]"
1 32 THR 1.395 0.517 8 1 "[ . + 1]"
1 33 LYS 0.684 0.215 3 0 "[ . 1]"
1 34 VAL 1.492 0.215 3 0 "[ . 1]"
1 35 THR 0.230 0.058 10 0 "[ . 1]"
1 36 ILE 3.342 0.449 2 0 "[ . 1]"
1 37 VAL 0.309 0.127 2 0 "[ . 1]"
1 38 GLY 2.313 0.418 1 0 "[ . 1]"
1 39 GLU 0.374 0.142 10 0 "[ . 1]"
1 40 GLU 3.365 0.453 10 0 "[ . 1]"
1 41 GLY 0.479 0.174 7 0 "[ . 1]"
1 42 ALA 4.532 0.589 3 1 "[ + . 1]"
1 43 PHE 1.717 0.207 10 0 "[ . 1]"
1 44 TYR 7.778 0.531 10 1 "[ . +]"
1 45 LYS 1.482 0.211 1 0 "[ . 1]"
1 46 ILE 0.000 0.000 . 0 "[ . 1]"
1 47 GLU 0.019 0.019 7 0 "[ . 1]"
1 48 TYR 2.920 0.464 9 0 "[ . 1]"
1 49 LYS 1.080 0.530 5 1 "[ + 1]"
1 50 GLY 0.000 0.000 . 0 "[ . 1]"
1 51 SER 0.047 0.047 9 0 "[ . 1]"
1 52 HIS 0.000 0.000 . 0 "[ . 1]"
1 53 GLY 3.851 0.464 9 0 "[ . 1]"
1 54 TYR 1.131 0.207 10 0 "[ . 1]"
1 55 VAL 3.287 0.428 7 0 "[ . 1]"
1 56 ALA 1.208 0.319 5 0 "[ . 1]"
1 57 LYS 5.368 0.531 10 1 "[ . +]"
1 58 GLU 1.277 0.169 2 0 "[ . 1]"
1 59 TYR 3.703 0.465 5 0 "[ . 1]"
1 60 ILE 0.867 0.169 2 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 LYS HA 1 3 THR H 3.120 . 3.120 2.796 2.151 3.522 0.402 6 0 "[ . 1]" 1
2 1 2 LYS HA 1 3 THR MG 4.530 . 4.530 3.828 3.296 4.317 . 0 0 "[ . 1]" 1
3 1 2 LYS QB 1 3 THR H 3.790 . 3.790 3.169 1.853 4.028 0.238 9 0 "[ . 1]" 1
4 1 2 LYS QE 1 3 THR H 5.140 . 6.000 5.778 4.929 6.272 0.272 8 0 "[ . 1]" 1
5 1 3 THR H 1 3 THR HB 3.920 . 3.920 3.817 3.661 3.914 . 0 0 "[ . 1]" 1
6 1 3 THR H 1 3 THR MG 4.320 . 4.320 2.656 2.327 2.826 . 0 0 "[ . 1]" 1
7 1 3 THR H 1 4 GLY H 4.450 . 4.450 4.455 4.422 4.538 0.088 1 0 "[ . 1]" 1
8 1 3 THR H 1 36 ILE MD 5.240 . 5.240 4.808 4.410 5.454 0.214 2 0 "[ . 1]" 1
9 1 3 THR HA 1 3 THR MG 3.630 . 3.630 2.457 2.412 2.628 . 0 0 "[ . 1]" 1
10 1 3 THR HA 1 4 GLY H 3.100 . 3.100 2.264 2.178 2.333 . 0 0 "[ . 1]" 1
11 1 3 THR HA 1 35 THR HA 4.100 . 4.100 3.290 2.651 4.044 . 0 0 "[ . 1]" 1
12 1 3 THR HA 1 36 ILE H 3.890 . 3.890 3.150 2.783 3.768 . 0 0 "[ . 1]" 1
13 1 3 THR HA 1 36 ILE MD 4.620 . 4.620 3.166 2.418 3.656 . 0 0 "[ . 1]" 1
14 1 3 THR HB 1 4 GLY H 3.480 . 3.480 2.705 2.488 2.948 . 0 0 "[ . 1]" 1
15 1 3 THR HB 1 35 THR MG 5.680 . 5.680 4.866 4.439 5.566 . 0 0 "[ . 1]" 1
16 1 3 THR HB 1 36 ILE MD 5.050 . 5.230 4.796 3.719 5.266 0.036 6 0 "[ . 1]" 1
17 1 3 THR MG 1 4 GLY H 3.700 . 4.040 3.904 3.777 4.114 0.074 2 0 "[ . 1]" 1
18 1 3 THR MG 1 34 VAL H 4.930 . 4.930 3.878 3.230 4.566 . 0 0 "[ . 1]" 1
19 1 3 THR MG 1 35 THR HA 3.970 . 3.970 2.458 2.342 2.586 . 0 0 "[ . 1]" 1
20 1 3 THR MG 1 36 ILE H 3.450 . 3.950 3.834 3.420 4.004 0.054 4 0 "[ . 1]" 1
21 1 3 THR MG 1 36 ILE MD 3.580 . 5.170 4.581 3.560 5.251 0.081 6 0 "[ . 1]" 1
22 1 4 GLY H 1 34 VAL QG 3.530 . 3.530 3.003 2.589 3.423 . 0 0 "[ . 1]" 1
23 1 4 GLY H 1 36 ILE MD 4.530 . 4.530 2.998 2.189 3.609 . 0 0 "[ . 1]" 1
24 1 4 GLY QA 1 34 VAL QG 4.250 . 4.250 3.715 2.984 4.160 . 0 0 "[ . 1]" 1
25 1 4 GLY QA 1 36 ILE MD 4.070 . 4.070 2.857 2.335 3.877 . 0 0 "[ . 1]" 1
26 1 4 GLY QA 1 60 ILE MG 3.980 . 3.980 3.282 2.325 4.131 0.151 5 0 "[ . 1]" 1
27 1 4 GLY HA2 1 5 ILE H 3.520 . 3.520 2.277 2.219 2.338 . 0 0 "[ . 1]" 1
28 1 4 GLY HA2 1 36 ILE MD 4.840 . 4.840 3.999 3.434 5.247 0.407 2 0 "[ . 1]" 1
29 1 4 GLY HA3 1 5 ILE H 3.520 . 3.520 2.882 2.750 3.043 . 0 0 "[ . 1]" 1
30 1 4 GLY HA3 1 36 ILE MD 4.840 . 4.840 2.942 2.376 3.994 . 0 0 "[ . 1]" 1
31 1 5 ILE H 1 5 ILE HB 3.650 . 3.650 2.942 2.568 3.720 0.070 8 0 "[ . 1]" 1
32 1 5 ILE H 1 5 ILE QG 4.100 . 4.100 2.465 1.888 3.060 . 0 0 "[ . 1]" 1
33 1 5 ILE H 1 5 ILE MG 4.230 . 4.230 3.573 2.767 3.891 . 0 0 "[ . 1]" 1
34 1 5 ILE H 1 6 VAL H 4.700 . 4.700 4.448 4.401 4.512 . 0 0 "[ . 1]" 1
35 1 5 ILE H 1 60 ILE MG 3.930 . 3.930 3.433 2.666 3.951 0.021 6 0 "[ . 1]" 1
36 1 5 ILE HA 1 6 VAL H 2.820 . 2.820 2.144 2.128 2.193 . 0 0 "[ . 1]" 1
37 1 5 ILE HA 1 6 VAL MG2 4.370 . 4.370 3.423 3.224 3.525 . 0 0 "[ . 1]" 1
38 1 5 ILE HB 1 6 VAL H 4.050 . 4.160 3.835 3.046 4.216 0.056 5 0 "[ . 1]" 1
39 1 5 ILE MG 1 6 VAL H 4.030 . 4.030 2.995 2.408 3.789 . 0 0 "[ . 1]" 1
40 1 5 ILE MG 1 31 ASN HA 3.720 . 3.720 3.139 2.474 3.976 0.256 2 0 "[ . 1]" 1
41 1 6 VAL H 1 6 VAL HB 3.090 . 3.090 2.621 2.510 2.851 . 0 0 "[ . 1]" 1
42 1 6 VAL H 1 6 VAL MG2 2.940 . 2.940 2.067 1.854 2.382 . 0 0 "[ . 1]" 1
43 1 6 VAL H 1 31 ASN H 4.860 . 4.860 3.662 3.102 4.413 . 0 0 "[ . 1]" 1
44 1 6 VAL H 1 32 THR H 3.890 . 3.890 3.496 2.941 3.935 0.045 6 0 "[ . 1]" 1
45 1 6 VAL HA 1 6 VAL MG2 3.170 . 3.170 2.472 2.400 2.668 . 0 0 "[ . 1]" 1
46 1 6 VAL HA 1 7 ASN H 3.110 . 3.110 2.182 2.156 2.249 . 0 0 "[ . 1]" 1
47 1 6 VAL HA 1 28 LEU QD 4.550 . 5.140 4.982 4.323 5.204 0.064 8 0 "[ . 1]" 1
48 1 6 VAL HB 1 8 VAL HA 4.470 . 5.520 5.090 4.657 5.815 0.295 3 0 "[ . 1]" 1
49 1 6 VAL HB 1 30 GLY QA 4.760 . 4.760 2.546 2.312 3.124 . 0 0 "[ . 1]" 1
50 1 6 VAL HB 1 31 ASN H 3.720 . 3.720 2.272 1.813 4.136 0.416 8 0 "[ . 1]" 1
51 1 6 VAL HB 1 32 THR H 3.250 . 3.250 2.748 2.358 3.628 0.378 8 0 "[ . 1]" 1
52 1 6 VAL MG2 1 7 ASN H 4.250 . 4.250 4.161 4.012 4.413 0.163 6 0 "[ . 1]" 1
53 1 6 VAL MG2 1 8 VAL H 4.540 . 6.000 6.242 5.556 6.843 0.843 6 2 "[ -.+ 1]" 1
54 1 6 VAL MG2 1 28 LEU QB 4.400 . 4.400 4.324 4.045 4.627 0.227 5 0 "[ . 1]" 1
55 1 6 VAL MG2 1 28 LEU QD 3.210 . 3.210 2.237 2.030 2.385 . 0 0 "[ . 1]" 1
56 1 6 VAL MG2 1 29 SER H 5.220 . 5.610 5.401 4.514 6.063 0.453 7 0 "[ . 1]" 1
57 1 6 VAL MG2 1 30 GLY H 4.960 . 5.740 5.661 4.993 5.888 0.148 1 0 "[ . 1]" 1
58 1 6 VAL MG2 1 30 GLY HA2 4.590 . 4.590 3.655 3.033 4.222 . 0 0 "[ . 1]" 1
59 1 6 VAL MG2 1 30 GLY QA 3.900 . 3.900 3.567 2.990 4.010 0.110 8 0 "[ . 1]" 1
60 1 6 VAL MG2 1 30 GLY HA3 4.590 . 5.180 5.032 4.530 5.297 0.117 1 0 "[ . 1]" 1
61 1 6 VAL MG2 1 31 ASN H 4.150 . 4.150 3.719 3.377 4.514 0.364 8 0 "[ . 1]" 1
62 1 6 VAL MG2 1 32 THR H 3.570 . 3.570 2.824 2.181 3.480 . 0 0 "[ . 1]" 1
63 1 6 VAL MG2 1 32 THR HB 4.240 . 4.240 2.948 2.235 3.973 . 0 0 "[ . 1]" 1
64 1 7 ASN H 1 7 ASN HB2 3.770 . 3.770 2.759 2.399 3.606 . 0 0 "[ . 1]" 1
65 1 7 ASN H 1 7 ASN HB3 3.770 . 3.770 3.352 2.570 3.609 . 0 0 "[ . 1]" 1
66 1 7 ASN H 1 8 VAL H 4.680 . 4.680 4.379 4.059 4.592 . 0 0 "[ . 1]" 1
67 1 7 ASN H 1 28 LEU QD 5.270 . 6.000 6.098 5.525 6.395 0.395 6 0 "[ . 1]" 1
68 1 7 ASN HA 1 31 ASN H 5.890 . 5.890 5.445 4.825 6.231 0.341 8 0 "[ . 1]" 1
69 1 8 VAL H 1 30 GLY HA2 4.800 . 5.830 5.398 4.733 5.849 0.019 7 0 "[ . 1]" 1
70 1 8 VAL H 1 30 GLY HA3 4.800 . 5.300 4.957 4.252 5.596 0.296 2 0 "[ . 1]" 1
71 1 8 VAL H 1 31 ASN H 4.830 . 5.420 4.591 4.147 5.668 0.248 6 0 "[ . 1]" 1
72 1 9 SER H 1 10 SER H 5.320 . 5.320 3.524 2.300 4.634 . 0 0 "[ . 1]" 1
73 1 9 SER QB 1 10 SER H 4.420 . 4.420 2.922 1.910 4.067 . 0 0 "[ . 1]" 1
74 1 10 SER H 1 11 SER H 4.770 . 4.770 3.898 1.662 4.593 0.138 1 0 "[ . 1]" 1
75 1 10 SER QB 1 11 SER H 3.680 . 3.680 2.209 1.778 3.529 0.022 9 0 "[ . 1]" 1
76 1 10 SER QB 1 11 SER HA 4.450 . 4.710 4.391 3.993 4.836 0.126 1 0 "[ . 1]" 1
77 1 11 SER H 1 12 LEU H 5.180 . 5.180 4.432 4.323 4.622 . 0 0 "[ . 1]" 1
78 1 11 SER HA 1 12 LEU H 3.040 . 3.040 2.240 2.149 2.319 . 0 0 "[ . 1]" 1
79 1 11 SER QB 1 12 LEU H 4.180 . 4.180 3.195 2.576 3.727 . 0 0 "[ . 1]" 1
80 1 11 SER QB 1 12 LEU HA 4.490 . 4.660 4.565 4.334 4.746 0.086 3 0 "[ . 1]" 1
81 1 12 LEU H 1 12 LEU HB2 3.790 . 3.790 2.566 2.302 3.120 . 0 0 "[ . 1]" 1
82 1 12 LEU H 1 12 LEU QB 3.130 . 3.130 2.437 2.275 2.859 . 0 0 "[ . 1]" 1
83 1 12 LEU H 1 12 LEU HB3 3.790 . 3.790 3.416 2.657 3.594 . 0 0 "[ . 1]" 1
84 1 12 LEU H 1 12 LEU QD 4.410 . 4.410 3.036 2.464 3.990 . 0 0 "[ . 1]" 1
85 1 12 LEU HA 1 12 LEU QD 3.660 . 3.660 2.160 2.038 2.492 . 0 0 "[ . 1]" 1
86 1 12 LEU HA 1 13 ASN H 2.770 . 2.770 2.155 2.118 2.324 . 0 0 "[ . 1]" 1
87 1 12 LEU QB 1 13 ASN H 4.060 . 4.060 3.217 2.431 3.767 . 0 0 "[ . 1]" 1
88 1 12 LEU QB 1 55 VAL QG 3.770 . 4.010 2.728 2.228 3.859 . 0 0 "[ . 1]" 1
89 1 12 LEU HB2 1 13 ASN H 4.690 . 4.690 4.261 3.830 4.524 . 0 0 "[ . 1]" 1
90 1 12 LEU HB3 1 13 ASN H 4.690 . 4.690 3.362 2.458 4.139 . 0 0 "[ . 1]" 1
91 1 12 LEU QD 1 13 ASN H 3.300 . 3.300 2.779 2.004 3.714 0.414 10 0 "[ . 1]" 1
92 1 12 LEU QD 1 55 VAL HB 4.690 . 4.690 4.094 2.298 4.935 0.245 7 0 "[ . 1]" 1
93 1 12 LEU QD 1 56 ALA MB 4.290 . 4.290 3.323 2.759 4.091 . 0 0 "[ . 1]" 1
94 1 12 LEU QD 1 59 TYR H 5.870 . 5.870 4.777 3.923 5.355 . 0 0 "[ . 1]" 1
95 1 12 LEU QD 1 59 TYR QB 3.610 . 3.610 2.682 2.073 3.313 . 0 0 "[ . 1]" 1
96 1 12 LEU QD 1 59 TYR QD 4.530 . 4.530 2.804 2.267 3.817 . 0 0 "[ . 1]" 1
97 1 12 LEU HG 1 55 VAL HB 5.220 . 5.630 5.261 3.963 5.880 0.250 1 0 "[ . 1]" 1
98 1 12 LEU HG 1 59 TYR QB 3.980 . 4.530 4.269 3.595 4.703 0.173 5 0 "[ . 1]" 1
99 1 13 ASN H 1 13 ASN HB2 3.780 . 3.780 2.908 2.426 3.617 . 0 0 "[ . 1]" 1
100 1 13 ASN H 1 13 ASN QB 3.010 . 3.010 2.522 2.391 2.783 . 0 0 "[ . 1]" 1
101 1 13 ASN H 1 13 ASN HB3 3.780 . 3.780 3.280 2.725 3.638 . 0 0 "[ . 1]" 1
102 1 13 ASN HA 1 14 VAL H 3.420 . 3.420 2.176 2.134 2.237 . 0 0 "[ . 1]" 1
103 1 13 ASN HA 1 27 SER HA 4.180 . 4.180 3.683 2.477 4.509 0.329 7 0 "[ . 1]" 1
104 1 13 ASN QB 1 14 VAL H 3.700 . 3.700 3.191 2.840 3.715 0.015 2 0 "[ . 1]" 1
105 1 13 ASN QB 1 24 VAL QG 3.290 . 3.290 2.344 2.134 2.634 . 0 0 "[ . 1]" 1
106 1 13 ASN HB2 1 24 VAL MG1 4.610 . 4.610 4.076 2.680 4.867 0.257 3 0 "[ . 1]" 1
107 1 13 ASN HB2 1 24 VAL MG2 4.610 . 4.610 3.328 2.210 4.370 . 0 0 "[ . 1]" 1
108 1 13 ASN HB3 1 24 VAL MG1 4.610 . 4.610 3.508 2.688 4.683 0.073 6 0 "[ . 1]" 1
109 1 13 ASN HB3 1 24 VAL MG2 4.610 . 4.610 2.908 2.361 3.656 . 0 0 "[ . 1]" 1
110 1 14 VAL H 1 14 VAL HB 3.610 . 3.610 2.681 2.479 3.611 0.001 2 0 "[ . 1]" 1
111 1 14 VAL H 1 14 VAL QG 3.210 . 3.210 2.274 1.748 2.470 0.052 2 0 "[ . 1]" 1
112 1 14 VAL H 1 15 ARG H 5.260 . 5.260 4.368 4.239 4.544 . 0 0 "[ . 1]" 1
113 1 14 VAL H 1 24 VAL QG 3.750 . 3.750 2.799 2.321 3.697 . 0 0 "[ . 1]" 1
114 1 14 VAL H 1 25 ILE H 4.380 . 4.380 4.230 3.534 4.701 0.321 9 0 "[ . 1]" 1
115 1 14 VAL H 1 26 GLY H 3.760 . 3.760 3.675 3.260 4.109 0.349 2 0 "[ . 1]" 1
116 1 14 VAL H 1 27 SER HA 3.660 . 3.660 3.343 2.519 3.842 0.182 7 0 "[ . 1]" 1
117 1 14 VAL H 1 28 LEU H 4.830 . 5.170 4.710 3.751 5.454 0.284 7 0 "[ . 1]" 1
118 1 14 VAL HA 1 15 ARG H 2.950 . 2.950 2.163 2.126 2.206 . 0 0 "[ . 1]" 1
119 1 14 VAL HA 1 55 VAL MG1 4.630 . 4.870 4.001 2.307 4.818 . 0 0 "[ . 1]" 1
120 1 14 VAL HA 1 55 VAL QG 3.880 . 3.880 2.987 2.302 3.863 . 0 0 "[ . 1]" 1
121 1 14 VAL HA 1 55 VAL MG2 4.630 . 4.630 3.604 2.486 4.720 0.090 8 0 "[ . 1]" 1
122 1 14 VAL HB 1 26 GLY H 4.450 . 4.450 3.142 2.677 4.443 . 0 0 "[ . 1]" 1
123 1 14 VAL HB 1 27 SER H 5.900 . 5.900 4.743 3.414 5.483 . 0 0 "[ . 1]" 1
124 1 14 VAL QG 1 15 ARG H 4.130 . 4.130 3.018 2.683 3.511 . 0 0 "[ . 1]" 1
125 1 14 VAL QG 1 25 ILE H 5.360 . 5.360 3.958 2.605 4.371 . 0 0 "[ . 1]" 1
126 1 14 VAL QG 1 25 ILE QG 4.440 . 4.440 2.703 2.216 3.959 . 0 0 "[ . 1]" 1
127 1 14 VAL QG 1 26 GLY H 4.580 . 4.580 3.559 1.944 3.949 . 0 0 "[ . 1]" 1
128 1 14 VAL QG 1 27 SER H 4.950 . 4.950 3.736 2.783 4.340 . 0 0 "[ . 1]" 1
129 1 14 VAL QG 1 27 SER HA 4.070 . 4.070 2.444 2.193 2.704 . 0 0 "[ . 1]" 1
130 1 14 VAL QG 1 28 LEU H 4.040 . 4.040 2.803 2.209 3.363 . 0 0 "[ . 1]" 1
131 1 14 VAL QG 1 28 LEU QB 3.520 . 3.520 2.835 2.069 3.649 0.129 4 0 "[ . 1]" 1
132 1 14 VAL QG 1 28 LEU QD 3.320 . 3.320 2.528 1.959 3.053 . 0 0 "[ . 1]" 1
133 1 14 VAL QG 1 28 LEU HG 4.430 . 4.670 4.057 2.165 4.813 0.143 2 0 "[ . 1]" 1
134 1 14 VAL QG 1 53 GLY H 5.920 . 5.920 4.318 4.017 4.792 . 0 0 "[ . 1]" 1
135 1 14 VAL QG 1 53 GLY QA 4.000 . 4.000 2.214 1.981 2.979 . 0 0 "[ . 1]" 1
136 1 14 VAL QG 1 55 VAL QG 3.600 . 3.600 2.509 2.119 3.243 . 0 0 "[ . 1]" 1
137 1 15 ARG H 1 15 ARG HB2 4.000 . 4.000 2.405 2.190 2.546 . 0 0 "[ . 1]" 1
138 1 15 ARG H 1 15 ARG QB 3.240 . 3.240 2.371 2.169 2.501 . 0 0 "[ . 1]" 1
139 1 15 ARG H 1 15 ARG HB3 4.000 . 4.000 3.614 3.507 3.683 . 0 0 "[ . 1]" 1
140 1 15 ARG H 1 15 ARG HG2 4.750 . 4.750 3.732 3.528 4.194 . 0 0 "[ . 1]" 1
141 1 15 ARG H 1 15 ARG QG 4.000 . 4.000 2.506 2.278 2.954 . 0 0 "[ . 1]" 1
142 1 15 ARG H 1 15 ARG HG3 4.750 . 4.750 2.548 2.306 3.026 . 0 0 "[ . 1]" 1
143 1 15 ARG H 1 16 SER H 5.110 . 5.110 4.508 4.382 4.591 . 0 0 "[ . 1]" 1
144 1 15 ARG H 1 55 VAL HA 4.970 . 4.970 4.055 3.308 4.776 . 0 0 "[ . 1]" 1
145 1 15 ARG H 1 55 VAL MG1 5.760 . 5.760 4.929 3.292 5.726 . 0 0 "[ . 1]" 1
146 1 15 ARG H 1 55 VAL MG2 5.760 . 5.760 4.562 3.712 5.421 . 0 0 "[ . 1]" 1
147 1 15 ARG HA 1 15 ARG QD 4.700 . 4.700 4.031 3.984 4.160 . 0 0 "[ . 1]" 1
148 1 15 ARG HA 1 16 SER H 2.890 . 2.890 2.452 2.165 2.703 . 0 0 "[ . 1]" 1
149 1 15 ARG HA 1 17 SER H 4.920 . 4.920 4.130 3.782 4.590 . 0 0 "[ . 1]" 1
150 1 15 ARG HA 1 24 VAL HA 3.990 . 3.990 3.418 2.558 4.001 0.011 5 0 "[ . 1]" 1
151 1 15 ARG HA 1 25 ILE H 3.830 . 4.300 3.944 3.107 4.570 0.270 8 0 "[ . 1]" 1
152 1 15 ARG HA 1 25 ILE MG 4.770 . 4.770 3.556 2.381 4.772 0.002 10 0 "[ . 1]" 1
153 1 15 ARG QB 1 15 ARG QD 3.230 . 3.230 2.206 2.146 2.354 . 0 0 "[ . 1]" 1
154 1 15 ARG QB 1 16 SER H 3.340 . 3.340 2.342 1.912 3.084 . 0 0 "[ . 1]" 1
155 1 15 ARG QB 1 17 SER H 3.290 . 3.290 2.463 2.382 2.694 . 0 0 "[ . 1]" 1
156 1 15 ARG QB 1 19 SER H 4.560 . 4.560 3.560 2.282 4.255 . 0 0 "[ . 1]" 1
157 1 15 ARG QD 1 16 SER H 5.150 . 5.150 4.514 4.127 5.224 0.074 10 0 "[ . 1]" 1
158 1 15 ARG QD 1 17 SER H 4.770 . 4.770 4.315 4.094 4.768 . 0 0 "[ . 1]" 1
159 1 15 ARG QD 1 19 SER H 4.090 . 4.090 3.369 2.148 4.335 0.245 2 0 "[ . 1]" 1
160 1 15 ARG QD 1 20 THR HA 4.170 . 4.170 2.847 2.223 4.460 0.290 7 0 "[ . 1]" 1
161 1 15 ARG QD 1 22 SER H 4.300 . 4.300 4.142 3.253 4.522 0.222 7 0 "[ . 1]" 1
162 1 15 ARG QG 1 16 SER H 4.070 . 4.070 3.798 3.303 4.058 . 0 0 "[ . 1]" 1
163 1 15 ARG QG 1 19 SER H 5.810 . 5.810 5.043 3.448 5.758 . 0 0 "[ . 1]" 1
164 1 15 ARG QG 1 23 LYS H 5.070 . 5.440 4.773 3.154 5.648 0.208 5 0 "[ . 1]" 1
165 1 15 ARG HG2 1 16 SER H 4.870 . 4.870 3.993 3.412 4.282 . 0 0 "[ . 1]" 1
166 1 15 ARG HG2 1 17 SER H 5.200 . 5.200 4.959 4.715 5.443 0.243 6 0 "[ . 1]" 1
167 1 15 ARG HG3 1 16 SER H 4.870 . 4.870 4.764 4.406 5.028 0.158 10 0 "[ . 1]" 1
168 1 15 ARG HG3 1 17 SER H 5.200 . 5.420 5.398 5.176 5.560 0.140 10 0 "[ . 1]" 1
169 1 16 SER H 1 16 SER HB2 3.630 . 3.630 3.170 2.272 3.814 0.184 6 0 "[ . 1]" 1
170 1 16 SER H 1 16 SER QB 3.140 . 3.140 2.471 2.246 2.892 . 0 0 "[ . 1]" 1
171 1 16 SER H 1 16 SER HB3 3.630 . 3.630 2.710 2.360 3.541 . 0 0 "[ . 1]" 1
172 1 16 SER H 1 17 SER H 3.310 . 3.310 2.320 2.126 2.599 . 0 0 "[ . 1]" 1
173 1 16 SER H 1 23 LYS H 4.530 . 5.230 4.596 2.912 5.521 0.291 8 0 "[ . 1]" 1
174 1 16 SER H 1 25 ILE QG 5.650 . 5.650 4.440 3.969 5.788 0.138 9 0 "[ . 1]" 1
175 1 16 SER H 1 25 ILE MG 3.700 . 3.940 3.586 2.926 4.045 0.105 6 0 "[ . 1]" 1
176 1 16 SER HA 1 25 ILE QG 4.480 . 4.480 4.004 3.520 4.603 0.123 9 0 "[ . 1]" 1
177 1 16 SER HA 1 25 ILE MG 3.950 . 3.950 3.431 2.383 3.986 0.036 6 0 "[ . 1]" 1
178 1 16 SER QB 1 25 ILE MG 3.330 . 3.330 2.512 2.215 2.971 . 0 0 "[ . 1]" 1
179 1 16 SER HB2 1 25 ILE MG 4.060 . 4.060 3.135 2.277 3.885 . 0 0 "[ . 1]" 1
180 1 16 SER HB3 1 25 ILE MG 4.060 . 4.060 3.204 2.245 4.107 0.047 4 0 "[ . 1]" 1
181 1 17 SER H 1 17 SER QB 3.630 . 3.630 3.051 2.680 3.393 . 0 0 "[ . 1]" 1
182 1 17 SER H 1 18 ALA H 4.970 . 4.970 4.118 1.998 4.386 . 0 0 "[ . 1]" 1
183 1 17 SER H 1 19 SER H 4.590 . 4.590 3.654 2.829 4.305 . 0 0 "[ . 1]" 1
184 1 17 SER H 1 22 SER QB 3.820 . 3.820 3.177 2.454 3.832 0.012 3 0 "[ . 1]" 1
185 1 17 SER H 1 25 ILE MG 5.400 . 5.660 5.322 4.478 5.779 0.119 6 0 "[ . 1]" 1
186 1 17 SER H 1 54 TYR QD 6.000 . 6.000 3.782 2.232 4.698 . 0 0 "[ . 1]" 1
187 1 17 SER H 1 54 TYR QE 6.000 . 6.000 4.948 3.353 5.769 . 0 0 "[ . 1]" 1
188 1 17 SER HA 1 18 ALA H 3.020 . 3.020 2.620 2.469 2.823 . 0 0 "[ . 1]" 1
189 1 17 SER HA 1 54 TYR QD 4.950 . 4.950 3.381 2.755 4.110 . 0 0 "[ . 1]" 1
190 1 17 SER HA 1 54 TYR QE 4.730 . 4.730 3.543 2.982 4.410 . 0 0 "[ . 1]" 1
191 1 17 SER QB 1 18 ALA H 3.710 . 3.710 2.614 1.910 3.946 0.236 3 0 "[ . 1]" 1
192 1 17 SER QB 1 19 SER H 5.200 . 5.200 3.754 3.171 4.617 . 0 0 "[ . 1]" 1
193 1 18 ALA H 1 18 ALA MB 2.830 . 2.830 2.345 2.237 3.051 0.221 3 0 "[ . 1]" 1
194 1 18 ALA H 1 40 GLU QG 5.810 . 6.000 5.803 4.688 6.251 0.251 10 0 "[ . 1]" 1
195 1 18 ALA H 1 54 TYR HB3 6.000 . 6.000 5.208 3.529 5.650 . 0 0 "[ . 1]" 1
196 1 18 ALA H 1 54 TYR QE 5.840 . 5.840 5.081 4.189 5.829 . 0 0 "[ . 1]" 1
197 1 18 ALA HA 1 19 SER H 2.860 . 2.860 2.695 2.346 3.094 0.234 2 0 "[ . 1]" 1
198 1 18 ALA MB 1 19 SER H 3.940 . 3.940 3.705 3.512 3.756 . 0 0 "[ . 1]" 1
199 1 18 ALA MB 1 40 GLU H 5.580 . 6.000 5.997 4.818 6.453 0.453 10 0 "[ . 1]" 1
200 1 18 ALA MB 1 40 GLU QG 3.840 . 3.840 3.608 2.851 4.215 0.375 10 0 "[ . 1]" 1
201 1 18 ALA MB 1 41 GLY H 5.430 . 5.740 5.576 4.396 5.914 0.174 7 0 "[ . 1]" 1
202 1 18 ALA MB 1 42 ALA H 5.210 . 5.210 4.134 3.075 5.799 0.589 3 1 "[ + . 1]" 1
203 1 18 ALA MB 1 43 PHE H 4.460 . 5.130 4.476 4.021 4.938 . 0 0 "[ . 1]" 1
204 1 18 ALA MB 1 43 PHE QB 3.600 . 3.600 2.961 2.352 3.465 . 0 0 "[ . 1]" 1
205 1 18 ALA MB 1 43 PHE QD 3.940 . 3.940 2.543 2.185 3.469 . 0 0 "[ . 1]" 1
206 1 18 ALA MB 1 44 TYR H 6.000 . 6.000 6.081 5.445 6.395 0.395 10 0 "[ . 1]" 1
207 1 19 SER H 1 19 SER HB2 4.130 . 4.130 3.144 2.432 4.005 . 0 0 "[ . 1]" 1
208 1 19 SER H 1 19 SER QB 3.460 . 3.460 2.773 2.398 3.310 . 0 0 "[ . 1]" 1
209 1 19 SER H 1 19 SER HB3 4.130 . 4.130 3.437 2.649 3.985 . 0 0 "[ . 1]" 1
210 1 19 SER QB 1 21 SER H 4.840 . 4.840 2.981 2.529 3.678 . 0 0 "[ . 1]" 1
211 1 19 SER QB 1 22 SER H 3.460 . 3.460 3.076 2.681 3.610 0.150 7 0 "[ . 1]" 1
212 1 20 THR HA 1 20 THR MG 3.510 . 3.510 2.713 2.308 3.236 . 0 0 "[ . 1]" 1
213 1 20 THR HA 1 22 SER H 3.810 . 3.810 3.623 3.455 3.839 0.029 3 0 "[ . 1]" 1
214 1 21 SER H 1 21 SER QB 3.670 . 3.670 2.468 2.405 2.653 . 0 0 "[ . 1]" 1
215 1 21 SER H 1 22 SER H 3.450 . 3.450 2.519 2.223 2.637 . 0 0 "[ . 1]" 1
216 1 22 SER H 1 22 SER QB 3.240 . 3.240 2.368 2.214 2.604 . 0 0 "[ . 1]" 1
217 1 22 SER H 1 23 LYS H 5.620 . 5.620 3.793 2.498 4.606 . 0 0 "[ . 1]" 1
218 1 22 SER HA 1 23 LYS H 3.010 . 3.470 2.745 2.157 3.523 0.053 3 0 "[ . 1]" 1
219 1 23 LYS H 1 23 LYS QB 3.260 . 3.260 2.770 2.210 3.281 0.021 8 0 "[ . 1]" 1
220 1 23 LYS H 1 24 VAL H 4.730 . 4.730 4.498 3.805 4.661 . 0 0 "[ . 1]" 1
221 1 23 LYS HA 1 24 VAL H 2.670 . 2.670 2.446 2.106 2.805 0.135 2 0 "[ . 1]" 1
222 1 23 LYS HA 1 24 VAL QG 4.880 . 4.880 3.408 3.252 3.725 . 0 0 "[ . 1]" 1
223 1 23 LYS QB 1 24 VAL H 3.530 . 3.530 2.711 2.297 3.872 0.342 7 0 "[ . 1]" 1
224 1 23 LYS QD 1 23 LYS QG 2.320 . 2.320 2.110 2.050 2.124 . 0 0 "[ . 1]" 1
225 1 23 LYS QG 1 24 VAL H 3.770 . 4.270 3.020 1.704 4.129 0.096 3 0 "[ . 1]" 1
226 1 24 VAL H 1 24 VAL HB 2.900 . 2.900 2.711 2.527 3.668 0.768 7 1 "[ . + 1]" 1
227 1 24 VAL H 1 24 VAL QG 3.050 . 3.050 2.148 1.838 2.628 . 0 0 "[ . 1]" 1
228 1 24 VAL HA 1 25 ILE H 2.980 . 2.980 2.221 2.131 2.429 . 0 0 "[ . 1]" 1
229 1 24 VAL HA 1 26 GLY H 3.990 . 3.990 3.575 3.328 3.997 0.007 8 0 "[ . 1]" 1
230 1 24 VAL HB 1 25 ILE H 5.030 . 5.030 4.036 3.469 4.423 . 0 0 "[ . 1]" 1
231 1 24 VAL HB 1 26 GLY H 5.150 . 5.150 4.615 4.283 5.201 0.051 7 0 "[ . 1]" 1
232 1 24 VAL QG 1 25 ILE H 4.290 . 4.290 2.576 1.861 3.177 . 0 0 "[ . 1]" 1
233 1 24 VAL QG 1 26 GLY H 2.780 . 2.780 2.361 1.966 2.952 0.172 7 0 "[ . 1]" 1
234 1 24 VAL QG 1 27 SER H 5.920 . 5.920 4.700 4.300 5.757 . 0 0 "[ . 1]" 1
235 1 25 ILE H 1 25 ILE QG 3.120 . 3.120 2.364 1.916 3.920 0.800 9 1 "[ . +1]" 1
236 1 25 ILE H 1 25 ILE MG 3.360 . 3.360 2.667 1.821 3.201 . 0 0 "[ . 1]" 1
237 1 25 ILE H 1 26 GLY H 2.890 . 2.890 1.952 1.550 2.310 0.250 7 0 "[ . 1]" 1
238 1 25 ILE HA 1 25 ILE MG 3.350 . 3.350 2.459 2.337 3.229 . 0 0 "[ . 1]" 1
239 1 25 ILE HB 1 26 GLY H 4.840 . 4.840 4.118 3.990 4.311 . 0 0 "[ . 1]" 1
240 1 25 ILE QG 1 26 GLY H 4.140 . 4.140 2.629 2.079 3.863 . 0 0 "[ . 1]" 1
241 1 25 ILE QG 1 53 GLY QA 4.120 . 4.120 4.086 3.687 4.441 0.321 3 0 "[ . 1]" 1
242 1 26 GLY H 1 27 SER H 4.870 . 4.870 4.318 4.202 4.364 . 0 0 "[ . 1]" 1
243 1 26 GLY H 1 27 SER HA 4.670 . 4.670 4.694 4.607 4.753 0.083 6 0 "[ . 1]" 1
244 1 26 GLY HA2 1 27 SER H 3.310 . 3.310 2.617 2.369 2.858 . 0 0 "[ . 1]" 1
245 1 26 GLY HA3 1 27 SER H 3.310 . 3.310 2.499 2.282 2.755 . 0 0 "[ . 1]" 1
246 1 27 SER H 1 28 LEU H 5.040 . 5.040 4.300 4.120 4.432 . 0 0 "[ . 1]" 1
247 1 27 SER H 1 28 LEU QB 5.600 . 5.600 5.244 4.794 5.586 . 0 0 "[ . 1]" 1
248 1 27 SER HA 1 28 LEU H 2.870 . 2.870 2.178 2.123 2.278 . 0 0 "[ . 1]" 1
249 1 27 SER QB 1 28 LEU H 3.470 . 3.690 3.120 2.778 3.738 0.048 3 0 "[ . 1]" 1
250 1 27 SER HB2 1 28 LEU H 4.170 . 4.170 3.464 2.832 4.195 0.025 3 0 "[ . 1]" 1
251 1 27 SER HB3 1 28 LEU H 4.170 . 4.170 3.931 3.152 4.209 0.039 8 0 "[ . 1]" 1
252 1 28 LEU H 1 28 LEU HB2 3.890 . 3.890 3.194 2.565 3.783 . 0 0 "[ . 1]" 1
253 1 28 LEU H 1 28 LEU QB 3.190 . 3.190 2.668 2.384 2.972 . 0 0 "[ . 1]" 1
254 1 28 LEU H 1 28 LEU HB3 3.890 . 3.890 2.916 2.755 3.168 . 0 0 "[ . 1]" 1
255 1 28 LEU H 1 28 LEU MD1 5.200 . 5.200 3.812 2.025 4.300 . 0 0 "[ . 1]" 1
256 1 28 LEU H 1 28 LEU QD 4.510 . 4.510 3.119 1.942 3.969 . 0 0 "[ . 1]" 1
257 1 28 LEU H 1 28 LEU MD2 5.200 . 5.200 3.642 1.948 4.661 . 0 0 "[ . 1]" 1
258 1 28 LEU H 1 28 LEU HG 4.630 . 4.630 3.347 1.895 4.644 0.014 2 0 "[ . 1]" 1
259 1 28 LEU HA 1 28 LEU HG 3.730 . 3.730 3.111 2.496 3.711 . 0 0 "[ . 1]" 1
260 1 28 LEU HA 1 29 SER H 2.860 . 2.860 2.332 2.132 2.539 . 0 0 "[ . 1]" 1
261 1 28 LEU QB 1 28 LEU QD 2.820 . 2.820 1.965 1.950 1.985 . 0 0 "[ . 1]" 1
262 1 28 LEU QB 1 29 SER H 3.690 . 3.690 2.900 2.032 3.461 . 0 0 "[ . 1]" 1
263 1 28 LEU QB 1 55 VAL QG 4.180 . 4.470 4.032 2.873 4.898 0.428 7 0 "[ . 1]" 1
264 1 28 LEU HB2 1 29 SER H 4.360 . 4.360 3.293 2.045 4.127 . 0 0 "[ . 1]" 1
265 1 28 LEU HB3 1 29 SER H 4.360 . 4.360 3.645 3.417 4.302 . 0 0 "[ . 1]" 1
266 1 28 LEU QD 1 29 SER H 4.990 . 4.990 3.194 2.939 3.961 . 0 0 "[ . 1]" 1
267 1 28 LEU QD 1 55 VAL QG 3.950 . 3.950 2.589 2.057 3.120 . 0 0 "[ . 1]" 1
268 1 28 LEU MD1 1 29 SER H 6.000 . 6.000 3.359 2.970 4.072 . 0 0 "[ . 1]" 1
269 1 28 LEU MD2 1 29 SER H 6.000 . 6.000 4.153 3.429 5.418 . 0 0 "[ . 1]" 1
270 1 28 LEU HG 1 29 SER H 4.690 . 4.690 3.128 1.883 4.829 0.139 8 0 "[ . 1]" 1
271 1 29 SER H 1 29 SER QB 3.210 . 3.210 2.553 2.257 2.813 . 0 0 "[ . 1]" 1
272 1 29 SER HA 1 30 GLY H 2.890 . 2.890 2.250 2.186 2.329 . 0 0 "[ . 1]" 1
273 1 29 SER HA 1 30 GLY QA 4.300 . 4.300 3.921 3.911 3.978 . 0 0 "[ . 1]" 1
274 1 29 SER QB 1 30 GLY H 4.210 . 4.210 2.863 2.543 3.688 . 0 0 "[ . 1]" 1
275 1 30 GLY H 1 31 ASN H 4.330 . 4.620 4.497 3.861 4.621 0.001 3 0 "[ . 1]" 1
276 1 30 GLY QA 1 31 ASN H 2.880 . 2.880 2.231 2.192 2.365 . 0 0 "[ . 1]" 1
277 1 30 GLY QA 1 32 THR H 4.140 . 4.140 3.327 3.049 4.297 0.157 8 0 "[ . 1]" 1
278 1 30 GLY HA2 1 31 ASN H 3.480 . 3.480 2.433 2.258 3.412 . 0 0 "[ . 1]" 1
279 1 30 GLY HA3 1 31 ASN H 3.480 . 3.480 2.869 2.236 3.529 0.049 6 0 "[ . 1]" 1
280 1 31 ASN H 1 31 ASN QB 3.660 . 3.660 3.108 2.608 3.463 . 0 0 "[ . 1]" 1
281 1 31 ASN H 1 32 THR H 3.410 . 3.410 2.600 1.590 3.927 0.517 8 1 "[ . + 1]" 1
282 1 31 ASN QB 1 32 THR H 4.260 . 4.260 3.774 3.685 3.959 . 0 0 "[ . 1]" 1
283 1 32 THR H 1 32 THR HB 3.130 . 3.130 2.551 2.485 2.626 . 0 0 "[ . 1]" 1
284 1 32 THR H 1 32 THR MG 4.060 . 4.060 3.839 3.818 3.881 . 0 0 "[ . 1]" 1
285 1 32 THR H 1 33 LYS H 4.850 . 4.850 4.554 4.435 4.621 . 0 0 "[ . 1]" 1
286 1 32 THR HA 1 32 THR MG 3.360 . 3.360 2.367 2.330 2.447 . 0 0 "[ . 1]" 1
287 1 32 THR HA 1 33 LYS H 2.790 . 2.790 2.199 2.150 2.246 . 0 0 "[ . 1]" 1
288 1 32 THR HB 1 33 LYS H 4.050 . 4.200 4.016 3.789 4.199 . 0 0 "[ . 1]" 1
289 1 32 THR HB 1 34 VAL QG 4.590 . 4.590 3.878 3.258 4.679 0.089 2 0 "[ . 1]" 1
290 1 32 THR MG 1 33 LYS H 3.240 . 3.240 2.436 2.173 2.766 . 0 0 "[ . 1]" 1
291 1 32 THR MG 1 34 VAL H 5.630 . 5.630 4.751 4.477 4.972 . 0 0 "[ . 1]" 1
292 1 32 THR MG 1 34 VAL QG 4.000 . 4.000 3.135 2.297 3.998 . 0 0 "[ . 1]" 1
293 1 33 LYS H 1 33 LYS QB 2.900 . 2.900 2.403 2.233 2.718 . 0 0 "[ . 1]" 1
294 1 33 LYS H 1 34 VAL QG 4.710 . 4.710 4.375 3.940 4.925 0.215 3 0 "[ . 1]" 1
295 1 33 LYS HA 1 34 VAL H 2.880 . 2.880 2.202 2.156 2.265 . 0 0 "[ . 1]" 1
296 1 33 LYS HA 1 34 VAL QG 4.490 . 4.490 3.225 3.108 3.356 . 0 0 "[ . 1]" 1
297 1 33 LYS QB 1 34 VAL H 4.290 . 4.290 3.124 2.807 3.672 . 0 0 "[ . 1]" 1
298 1 33 LYS QG 1 34 VAL H 4.450 . 4.450 3.486 2.146 4.135 . 0 0 "[ . 1]" 1
299 1 34 VAL H 1 34 VAL MG1 3.800 . 3.800 2.904 2.347 3.261 . 0 0 "[ . 1]" 1
300 1 34 VAL H 1 34 VAL QG 3.100 . 3.100 2.282 2.177 2.393 . 0 0 "[ . 1]" 1
301 1 34 VAL H 1 34 VAL MG2 3.800 . 3.800 2.950 2.211 3.990 0.190 3 0 "[ . 1]" 1
302 1 34 VAL H 1 35 THR HA 5.160 . 5.160 4.671 4.627 4.714 . 0 0 "[ . 1]" 1
303 1 34 VAL QG 1 36 ILE MD 3.900 . 3.900 3.231 2.381 3.601 . 0 0 "[ . 1]" 1
304 1 35 THR HA 1 35 THR MG 3.440 . 3.440 2.477 2.343 3.277 . 0 0 "[ . 1]" 1
305 1 35 THR HA 1 36 ILE H 2.920 . 2.920 2.282 2.166 2.329 . 0 0 "[ . 1]" 1
306 1 35 THR MG 1 36 ILE H 3.850 . 4.280 4.059 3.246 4.338 0.058 10 0 "[ . 1]" 1
307 1 35 THR MG 1 36 ILE HA 6.000 . 6.000 5.371 4.553 5.887 . 0 0 "[ . 1]" 1
308 1 36 ILE H 1 36 ILE HB 3.180 . 3.180 2.682 2.539 2.892 . 0 0 "[ . 1]" 1
309 1 36 ILE H 1 36 ILE MD 4.470 . 4.470 2.810 1.696 3.434 0.104 1 0 "[ . 1]" 1
310 1 36 ILE H 1 36 ILE QG 4.170 . 4.170 2.120 1.875 3.194 . 0 0 "[ . 1]" 1
311 1 36 ILE H 1 37 VAL H 5.070 . 5.070 4.670 4.627 4.708 . 0 0 "[ . 1]" 1
312 1 36 ILE HA 1 36 ILE QG 3.640 . 3.640 2.551 2.418 3.181 . 0 0 "[ . 1]" 1
313 1 36 ILE HA 1 36 ILE MG 3.610 . 3.610 2.411 2.320 2.590 . 0 0 "[ . 1]" 1
314 1 36 ILE HA 1 37 VAL H 2.990 . 2.990 2.362 2.230 2.517 . 0 0 "[ . 1]" 1
315 1 36 ILE HB 1 36 ILE MD 3.610 . 3.610 2.431 2.252 3.274 . 0 0 "[ . 1]" 1
316 1 36 ILE HB 1 37 VAL H 5.330 . 5.330 3.745 3.441 4.079 . 0 0 "[ . 1]" 1
317 1 36 ILE MD 1 36 ILE MG 3.410 . 3.410 2.322 1.931 3.316 . 0 0 "[ . 1]" 1
318 1 36 ILE QG 1 44 TYR QB 4.480 . 4.480 4.257 3.376 4.929 0.449 2 0 "[ . 1]" 1
319 1 36 ILE MG 1 37 VAL H 3.750 . 3.750 2.040 1.739 2.546 0.061 3 0 "[ . 1]" 1
320 1 36 ILE MG 1 38 GLY H 3.240 . 4.060 3.341 2.304 4.092 0.032 6 0 "[ . 1]" 1
321 1 36 ILE MG 1 44 TYR HA 4.680 . 4.680 4.759 4.464 5.021 0.341 9 0 "[ . 1]" 1
322 1 36 ILE MG 1 44 TYR QB 3.870 . 3.870 2.801 2.330 3.725 . 0 0 "[ . 1]" 1
323 1 37 VAL H 1 37 VAL QG 4.190 . 4.190 2.571 2.079 2.827 . 0 0 "[ . 1]" 1
324 1 37 VAL H 1 38 GLY H 2.920 . 3.330 3.089 2.977 3.457 0.127 2 0 "[ . 1]" 1
325 1 37 VAL H 1 45 LYS QB 5.340 . 5.340 4.084 3.263 5.249 . 0 0 "[ . 1]" 1
326 1 37 VAL HB 1 38 GLY H 4.370 . 4.580 2.837 1.768 4.435 0.032 5 0 "[ . 1]" 1
327 1 38 GLY H 1 39 GLU H 4.810 . 4.810 4.247 3.526 4.458 . 0 0 "[ . 1]" 1
328 1 38 GLY H 1 44 TYR HA 5.250 . 6.000 5.635 4.390 6.418 0.418 1 0 "[ . 1]" 1
329 1 38 GLY H 1 44 TYR QB 5.810 . 5.810 4.749 3.517 6.136 0.326 1 0 "[ . 1]" 1
330 1 38 GLY H 1 45 LYS H 3.950 . 4.620 4.242 3.538 4.831 0.211 1 0 "[ . 1]" 1
331 1 38 GLY H 1 45 LYS QB 3.820 . 4.460 3.933 2.771 4.667 0.207 7 0 "[ . 1]" 1
332 1 38 GLY QA 1 39 GLU H 2.910 . 2.910 2.219 2.098 2.270 . 0 0 "[ . 1]" 1
333 1 39 GLU H 1 39 GLU QB 3.400 . 3.400 2.899 2.650 3.237 . 0 0 "[ . 1]" 1
334 1 39 GLU H 1 39 GLU QG 4.050 . 4.050 2.785 1.967 4.183 0.133 10 0 "[ . 1]" 1
335 1 39 GLU HA 1 40 GLU H 2.730 . 2.730 2.186 2.094 2.299 . 0 0 "[ . 1]" 1
336 1 39 GLU QB 1 40 GLU H 3.420 . 3.420 3.054 2.606 3.562 0.142 10 0 "[ . 1]" 1
337 1 40 GLU H 1 40 GLU QB 3.320 . 3.320 2.774 2.407 3.235 . 0 0 "[ . 1]" 1
338 1 40 GLU H 1 43 PHE H 4.080 . 4.080 3.611 2.723 3.976 . 0 0 "[ . 1]" 1
339 1 40 GLU H 1 57 LYS QE 5.500 . 5.500 4.781 3.187 5.671 0.171 5 0 "[ . 1]" 1
340 1 40 GLU HA 1 40 GLU QG 3.660 . 3.660 2.610 2.366 3.363 . 0 0 "[ . 1]" 1
341 1 40 GLU HA 1 41 GLY H 2.900 . 2.900 2.157 2.131 2.203 . 0 0 "[ . 1]" 1
342 1 40 GLU QG 1 41 GLY H 4.030 . 4.030 3.311 2.764 4.118 0.088 6 0 "[ . 1]" 1
343 1 41 GLY QA 1 42 ALA H 2.800 . 2.800 2.205 2.125 2.564 . 0 0 "[ . 1]" 1
344 1 42 ALA H 1 42 ALA MB 3.050 . 3.050 2.441 2.271 3.030 . 0 0 "[ . 1]" 1
345 1 42 ALA H 1 43 PHE H 3.410 . 3.410 2.684 2.409 3.212 . 0 0 "[ . 1]" 1
346 1 42 ALA H 1 43 PHE QD 4.920 . 4.920 2.808 2.404 4.414 . 0 0 "[ . 1]" 1
347 1 42 ALA MB 1 43 PHE H 4.120 . 4.120 3.622 3.525 3.700 . 0 0 "[ . 1]" 1
348 1 42 ALA MB 1 57 LYS H 4.120 . 4.120 3.943 3.184 4.496 0.376 2 0 "[ . 1]" 1
349 1 42 ALA MB 1 58 GLU H 4.320 . 4.560 4.335 3.981 4.707 0.147 5 0 "[ . 1]" 1
350 1 42 ALA MB 1 59 TYR H 6.000 . 6.000 6.250 5.972 6.465 0.465 5 0 "[ . 1]" 1
351 1 43 PHE H 1 43 PHE QD 4.010 . 4.010 2.947 2.511 3.431 . 0 0 "[ . 1]" 1
352 1 43 PHE H 1 44 TYR H 5.210 . 5.210 4.391 4.356 4.431 . 0 0 "[ . 1]" 1
353 1 43 PHE H 1 57 LYS QE 4.660 . 4.660 4.033 2.951 4.789 0.129 9 0 "[ . 1]" 1
354 1 43 PHE H 1 57 LYS QG 5.060 . 5.060 3.930 3.569 4.355 . 0 0 "[ . 1]" 1
355 1 43 PHE HA 1 44 TYR H 3.000 . 3.000 2.300 2.236 2.405 . 0 0 "[ . 1]" 1
356 1 43 PHE HA 1 56 ALA HA 3.730 . 3.730 3.107 2.468 3.662 . 0 0 "[ . 1]" 1
357 1 43 PHE HA 1 57 LYS H 3.260 . 3.760 3.409 2.643 3.906 0.146 3 0 "[ . 1]" 1
358 1 43 PHE QB 1 44 TYR H 3.310 . 3.310 2.566 2.389 2.653 . 0 0 "[ . 1]" 1
359 1 43 PHE QB 1 54 TYR HB2 3.890 . 4.170 4.034 3.797 4.207 0.037 8 0 "[ . 1]" 1
360 1 43 PHE QB 1 54 TYR QD 4.480 . 4.480 2.872 2.447 4.065 . 0 0 "[ . 1]" 1
361 1 43 PHE QB 1 55 VAL H 4.170 . 4.170 3.127 2.426 3.550 . 0 0 "[ . 1]" 1
362 1 43 PHE HB2 1 54 TYR HB2 4.570 . 5.450 5.174 4.083 5.571 0.121 8 0 "[ . 1]" 1
363 1 43 PHE HB2 1 54 TYR QD 5.110 . 5.110 3.405 2.909 4.219 . 0 0 "[ . 1]" 1
364 1 43 PHE HB3 1 54 TYR HB2 4.570 . 4.570 4.262 4.024 4.694 0.124 10 0 "[ . 1]" 1
365 1 43 PHE HB3 1 54 TYR QD 5.110 . 5.110 3.201 2.530 5.317 0.207 10 0 "[ . 1]" 1
366 1 43 PHE QD 1 44 TYR H 4.750 . 4.750 3.870 2.787 4.101 . 0 0 "[ . 1]" 1
367 1 43 PHE QD 1 44 TYR HA 3.800 . 6.000 5.777 3.565 6.073 0.073 5 0 "[ . 1]" 1
368 1 43 PHE QD 1 54 TYR HB2 4.600 . 4.600 4.455 4.112 4.771 0.171 2 0 "[ . 1]" 1
369 1 44 TYR H 1 44 TYR QB 3.240 . 3.240 2.911 2.303 3.214 . 0 0 "[ . 1]" 1
370 1 44 TYR H 1 55 VAL H 3.770 . 3.770 2.901 2.559 3.164 . 0 0 "[ . 1]" 1
371 1 44 TYR H 1 55 VAL MG1 5.850 . 5.850 5.186 4.090 5.954 0.104 10 0 "[ . 1]" 1
372 1 44 TYR H 1 55 VAL QG 5.130 . 5.130 4.206 3.580 4.827 . 0 0 "[ . 1]" 1
373 1 44 TYR H 1 55 VAL MG2 5.850 . 5.850 4.855 3.615 5.955 0.105 9 0 "[ . 1]" 1
374 1 44 TYR H 1 56 ALA HA 5.040 . 5.380 4.779 3.967 5.441 0.061 7 0 "[ . 1]" 1
375 1 44 TYR H 1 57 LYS H 4.510 . 5.770 5.017 4.187 5.786 0.016 3 0 "[ . 1]" 1
376 1 44 TYR H 1 57 LYS QD 5.200 . 5.200 5.084 4.623 5.513 0.313 4 0 "[ . 1]" 1
377 1 44 TYR H 1 57 LYS QG 4.290 . 4.290 4.346 3.950 4.821 0.531 10 1 "[ . +]" 1
378 1 44 TYR HA 1 45 LYS H 2.960 . 2.960 2.357 2.177 2.501 . 0 0 "[ . 1]" 1
379 1 44 TYR QB 1 45 LYS H 3.600 . 3.600 2.453 2.160 2.968 . 0 0 "[ . 1]" 1
380 1 44 TYR QB 1 57 LYS QD 4.590 . 4.590 3.922 2.937 4.628 0.038 5 0 "[ . 1]" 1
381 1 45 LYS H 1 45 LYS QB 3.260 . 3.260 2.390 2.344 2.429 . 0 0 "[ . 1]" 1
382 1 45 LYS HA 1 46 ILE H 2.990 . 2.990 2.236 2.114 2.351 . 0 0 "[ . 1]" 1
383 1 45 LYS HA 1 54 TYR HA 4.050 . 4.050 3.722 3.172 4.171 0.121 10 0 "[ . 1]" 1
384 1 45 LYS HA 1 54 TYR QE 4.670 . 4.670 3.867 3.161 4.527 . 0 0 "[ . 1]" 1
385 1 45 LYS HA 1 55 VAL H 5.590 . 5.590 5.130 4.331 5.734 0.144 7 0 "[ . 1]" 1
386 1 45 LYS QG 1 54 TYR HA 5.630 . 5.630 5.038 4.499 5.642 0.012 10 0 "[ . 1]" 1
387 1 46 ILE H 1 46 ILE MD 4.710 . 4.710 4.036 3.856 4.127 . 0 0 "[ . 1]" 1
388 1 46 ILE H 1 46 ILE QG 3.090 . 3.090 2.330 2.135 2.437 . 0 0 "[ . 1]" 1
389 1 46 ILE H 1 52 HIS HA 5.460 . 5.460 4.209 3.526 4.938 . 0 0 "[ . 1]" 1
390 1 46 ILE H 1 52 HIS QB 5.170 . 5.170 4.368 3.275 4.981 . 0 0 "[ . 1]" 1
391 1 46 ILE H 1 53 GLY H 3.800 . 3.800 3.183 2.641 3.682 . 0 0 "[ . 1]" 1
392 1 46 ILE H 1 54 TYR HA 5.820 . 5.820 4.604 3.689 5.298 . 0 0 "[ . 1]" 1
393 1 46 ILE HA 1 46 ILE QG 3.560 . 3.560 3.357 3.341 3.386 . 0 0 "[ . 1]" 1
394 1 46 ILE HA 1 47 GLU H 3.000 . 3.000 2.324 2.244 2.462 . 0 0 "[ . 1]" 1
395 1 46 ILE HB 1 46 ILE MD 3.350 . 3.350 2.362 2.341 2.383 . 0 0 "[ . 1]" 1
396 1 46 ILE HB 1 47 GLU H 2.910 . 2.910 2.512 2.232 2.731 . 0 0 "[ . 1]" 1
397 1 46 ILE MD 1 48 TYR HB3 4.170 . 4.170 3.681 3.297 4.101 . 0 0 "[ . 1]" 1
398 1 46 ILE MD 1 48 TYR QD 5.230 . 5.230 4.430 3.560 5.105 . 0 0 "[ . 1]" 1
399 1 46 ILE QG 1 47 GLU H 3.760 . 4.190 3.753 3.498 3.949 . 0 0 "[ . 1]" 1
400 1 46 ILE QG 1 48 TYR H 5.680 . 5.680 3.692 2.642 4.138 . 0 0 "[ . 1]" 1
401 1 46 ILE QG 1 48 TYR HB3 4.970 . 4.970 4.373 3.238 4.920 . 0 0 "[ . 1]" 1
402 1 46 ILE QG 1 53 GLY H 3.550 . 3.550 2.550 2.027 2.771 . 0 0 "[ . 1]" 1
403 1 47 GLU HA 1 48 TYR H 2.780 . 2.780 2.255 2.138 2.589 . 0 0 "[ . 1]" 1
404 1 47 GLU QB 1 48 TYR H 4.040 . 4.040 3.877 3.665 4.059 0.019 7 0 "[ . 1]" 1
405 1 48 TYR H 1 48 TYR HB2 3.520 . 3.520 2.937 2.609 3.163 . 0 0 "[ . 1]" 1
406 1 48 TYR H 1 48 TYR HB3 3.980 . 3.980 2.949 2.511 3.349 . 0 0 "[ . 1]" 1
407 1 48 TYR H 1 51 SER H 3.920 . 3.920 3.706 3.160 3.967 0.047 9 0 "[ . 1]" 1
408 1 48 TYR HA 1 49 LYS H 3.110 . 3.110 2.270 2.170 2.357 . 0 0 "[ . 1]" 1
409 1 48 TYR HA 1 50 GLY H 5.250 . 5.250 3.270 3.082 3.836 . 0 0 "[ . 1]" 1
410 1 48 TYR HB2 1 53 GLY H 5.800 . 6.000 6.115 5.501 6.422 0.422 7 0 "[ . 1]" 1
411 1 48 TYR HB3 1 53 GLY H 4.940 . 6.000 5.877 5.056 6.464 0.464 9 0 "[ . 1]" 1
412 1 49 LYS H 1 49 LYS HG2 4.110 . 4.110 3.483 2.579 4.640 0.530 5 1 "[ + 1]" 1
413 1 49 LYS H 1 49 LYS QG 3.550 . 3.550 2.885 2.555 3.757 0.207 5 0 "[ . 1]" 1
414 1 49 LYS H 1 49 LYS HG3 4.110 . 4.110 3.436 2.786 4.238 0.128 1 0 "[ . 1]" 1
415 1 49 LYS H 1 50 GLY H 4.380 . 4.380 2.777 2.686 2.883 . 0 0 "[ . 1]" 1
416 1 49 LYS HA 1 49 LYS QG 3.690 . 3.690 2.431 2.247 2.985 . 0 0 "[ . 1]" 1
417 1 49 LYS QB 1 49 LYS QD 2.810 . 2.810 2.273 2.146 2.371 . 0 0 "[ . 1]" 1
418 1 49 LYS QB 1 50 GLY H 3.880 . 3.880 3.744 3.650 3.838 . 0 0 "[ . 1]" 1
419 1 49 LYS QB 1 51 SER H 4.830 . 4.830 3.078 2.738 3.577 . 0 0 "[ . 1]" 1
420 1 49 LYS HB2 1 50 GLY H 4.730 . 4.730 4.088 3.919 4.335 . 0 0 "[ . 1]" 1
421 1 49 LYS HB3 1 50 GLY H 4.730 . 4.730 4.367 4.037 4.515 . 0 0 "[ . 1]" 1
422 1 50 GLY H 1 51 SER H 3.370 . 3.370 2.621 2.518 2.719 . 0 0 "[ . 1]" 1
423 1 51 SER H 1 51 SER QB 3.310 . 3.310 2.595 2.343 2.941 . 0 0 "[ . 1]" 1
424 1 51 SER H 1 52 HIS H 5.170 . 5.170 4.462 4.437 4.495 . 0 0 "[ . 1]" 1
425 1 51 SER QB 1 52 HIS H 3.490 . 3.490 2.589 2.109 3.173 . 0 0 "[ . 1]" 1
426 1 52 HIS H 1 52 HIS QB 3.640 . 3.640 2.738 2.412 3.049 . 0 0 "[ . 1]" 1
427 1 52 HIS HA 1 52 HIS HD2 4.830 . 4.830 4.339 2.488 4.697 . 0 0 "[ . 1]" 1
428 1 52 HIS HA 1 53 GLY H 3.010 . 3.010 2.191 2.141 2.264 . 0 0 "[ . 1]" 1
429 1 52 HIS QB 1 53 GLY H 3.290 . 3.290 2.922 2.674 3.087 . 0 0 "[ . 1]" 1
430 1 54 TYR HA 1 54 TYR QE 5.230 . 5.230 4.641 4.547 4.667 . 0 0 "[ . 1]" 1
431 1 54 TYR HA 1 55 VAL H 2.920 . 2.920 2.188 2.125 2.242 . 0 0 "[ . 1]" 1
432 1 54 TYR HA 1 55 VAL QG 4.850 . 4.850 3.262 2.934 3.465 . 0 0 "[ . 1]" 1
433 1 54 TYR HB2 1 55 VAL H 4.090 . 4.090 3.987 3.701 4.116 0.026 2 0 "[ . 1]" 1
434 1 54 TYR HB3 1 55 VAL H 4.960 . 4.960 2.961 2.773 3.115 . 0 0 "[ . 1]" 1
435 1 55 VAL H 1 55 VAL HB 4.170 . 4.170 3.275 2.898 3.859 . 0 0 "[ . 1]" 1
436 1 55 VAL H 1 55 VAL MG1 4.090 . 4.090 3.577 2.383 4.006 . 0 0 "[ . 1]" 1
437 1 55 VAL H 1 55 VAL QG 3.110 . 3.110 2.577 2.238 2.895 . 0 0 "[ . 1]" 1
438 1 55 VAL H 1 55 VAL MG2 4.090 . 4.090 2.941 2.253 4.033 . 0 0 "[ . 1]" 1
439 1 55 VAL HA 1 56 ALA H 2.870 . 2.870 2.239 2.196 2.325 . 0 0 "[ . 1]" 1
440 1 55 VAL HB 1 56 ALA H 4.150 . 4.150 3.588 2.885 3.889 . 0 0 "[ . 1]" 1
441 1 55 VAL QG 1 56 ALA H 3.620 . 3.620 2.424 1.974 3.350 . 0 0 "[ . 1]" 1
442 1 55 VAL QG 1 56 ALA HA 4.280 . 4.690 4.152 3.733 4.719 0.029 3 0 "[ . 1]" 1
443 1 55 VAL QG 1 56 ALA MB 4.390 . 4.390 3.426 2.928 4.300 . 0 0 "[ . 1]" 1
444 1 55 VAL QG 1 59 TYR H 5.920 . 5.920 5.272 4.579 6.180 0.260 10 0 "[ . 1]" 1
445 1 56 ALA H 1 56 ALA MB 3.030 . 3.030 2.227 2.210 2.261 . 0 0 "[ . 1]" 1
446 1 56 ALA H 1 59 TYR H 5.570 . 5.570 5.387 5.111 5.624 0.054 7 0 "[ . 1]" 1
447 1 56 ALA H 1 59 TYR QD 6.000 . 6.000 4.876 4.456 5.412 . 0 0 "[ . 1]" 1
448 1 56 ALA HA 1 57 LYS H 2.690 . 2.690 2.203 2.140 2.291 . 0 0 "[ . 1]" 1
449 1 56 ALA HA 1 57 LYS QB 4.850 . 4.850 4.509 4.300 4.728 . 0 0 "[ . 1]" 1
450 1 56 ALA HA 1 57 LYS HG2 4.730 . 5.030 4.051 3.478 5.083 0.053 8 0 "[ . 1]" 1
451 1 56 ALA HA 1 57 LYS QG 4.140 . 4.140 3.559 3.279 3.741 . 0 0 "[ . 1]" 1
452 1 56 ALA HA 1 57 LYS HG3 4.730 . 4.730 4.333 3.745 5.049 0.319 5 0 "[ . 1]" 1
453 1 56 ALA HA 1 58 GLU H 4.100 . 4.100 3.839 3.593 4.040 . 0 0 "[ . 1]" 1
454 1 56 ALA MB 1 57 LYS H 3.710 . 3.710 2.961 2.629 3.365 . 0 0 "[ . 1]" 1
455 1 56 ALA MB 1 58 GLU H 3.950 . 3.950 2.963 2.595 3.278 . 0 0 "[ . 1]" 1
456 1 56 ALA MB 1 58 GLU QB 4.140 . 4.140 3.422 2.895 4.283 0.143 9 0 "[ . 1]" 1
457 1 56 ALA MB 1 59 TYR H 3.520 . 3.520 2.857 2.690 3.167 . 0 0 "[ . 1]" 1
458 1 56 ALA MB 1 59 TYR QD 3.810 . 3.810 2.396 2.174 2.953 . 0 0 "[ . 1]" 1
459 1 56 ALA MB 1 59 TYR QE 4.470 . 4.470 3.515 3.027 4.596 0.126 9 0 "[ . 1]" 1
460 1 57 LYS H 1 57 LYS HG2 3.940 . 3.940 2.417 1.815 3.713 . 0 0 "[ . 1]" 1
461 1 57 LYS H 1 57 LYS QG 3.140 . 3.140 2.029 1.787 2.544 0.013 7 0 "[ . 1]" 1
462 1 57 LYS H 1 57 LYS HG3 3.940 . 3.940 2.553 2.040 2.895 . 0 0 "[ . 1]" 1
463 1 57 LYS H 1 58 GLU H 3.490 . 3.490 2.311 2.094 2.471 . 0 0 "[ . 1]" 1
464 1 57 LYS H 1 59 TYR H 4.850 . 4.850 4.119 3.761 4.486 . 0 0 "[ . 1]" 1
465 1 57 LYS QG 1 58 GLU H 4.450 . 4.450 2.819 2.040 4.213 . 0 0 "[ . 1]" 1
466 1 57 LYS HG2 1 58 GLU H 5.110 . 5.110 3.733 2.779 5.121 0.011 8 0 "[ . 1]" 1
467 1 57 LYS HG3 1 58 GLU H 5.110 . 5.110 2.943 2.061 4.487 . 0 0 "[ . 1]" 1
468 1 58 GLU H 1 58 GLU QB 3.230 . 3.230 2.352 2.166 2.564 . 0 0 "[ . 1]" 1
469 1 58 GLU H 1 58 GLU QG 4.630 . 4.630 3.159 1.870 4.095 . 0 0 "[ . 1]" 1
470 1 58 GLU H 1 59 TYR H 3.480 . 3.480 2.702 2.585 2.855 . 0 0 "[ . 1]" 1
471 1 58 GLU H 1 60 ILE H 4.790 . 4.790 4.132 3.941 4.373 . 0 0 "[ . 1]" 1
472 1 58 GLU HA 1 60 ILE H 4.130 . 4.130 3.937 3.319 4.299 0.169 2 0 "[ . 1]" 1
473 1 59 TYR H 1 59 TYR HB2 3.920 . 3.920 2.368 2.117 3.517 . 0 0 "[ . 1]" 1
474 1 59 TYR H 1 59 TYR QB 3.140 . 3.140 2.211 2.081 2.298 . 0 0 "[ . 1]" 1
475 1 59 TYR H 1 59 TYR HB3 3.920 . 3.920 3.367 2.194 3.589 . 0 0 "[ . 1]" 1
476 1 59 TYR H 1 60 ILE H 3.040 . 3.040 2.640 2.462 2.814 . 0 0 "[ . 1]" 1
477 1 59 TYR H 1 60 ILE HB 5.050 . 5.050 4.954 4.781 5.145 0.095 3 0 "[ . 1]" 1
478 1 59 TYR H 1 60 ILE QG 4.700 . 4.700 3.951 3.492 4.247 . 0 0 "[ . 1]" 1
479 1 60 ILE H 1 60 ILE HB 3.030 . 3.030 2.540 2.513 2.625 . 0 0 "[ . 1]" 1
480 1 60 ILE H 1 60 ILE QG 4.550 . 4.550 2.229 2.165 2.418 . 0 0 "[ . 1]" 1
481 1 60 ILE H 1 60 ILE MG 4.050 . 4.050 3.815 3.797 3.869 . 0 0 "[ . 1]" 1
482 1 60 ILE HA 1 60 ILE MG 3.720 . 3.720 2.371 2.348 2.410 . 0 0 "[ . 1]" 1
483 1 60 ILE QG 1 60 ILE MG 3.250 . 3.250 2.321 2.302 2.335 . 0 0 "[ . 1]" 1
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