NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
533550 |
2kyw   |
16988 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kyw
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 831
_Distance_constraint_stats_list.Viol_count 204
_Distance_constraint_stats_list.Viol_total 331.969
_Distance_constraint_stats_list.Viol_max 0.324
_Distance_constraint_stats_list.Viol_rms 0.0156
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0016
_Distance_constraint_stats_list.Viol_average_violations_only 0.1017
_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 MET 0.473 0.208 15 0 "[ . 1 . ]"
1 2 ASP 1.372 0.208 15 0 "[ . 1 . ]"
1 3 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 4 ASP 0.388 0.131 2 0 "[ . 1 . ]"
1 5 ALA 1.020 0.201 8 0 "[ . 1 . ]"
1 6 THR 0.899 0.310 14 0 "[ . 1 . ]"
1 7 ILE 0.382 0.153 13 0 "[ . 1 . ]"
1 8 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 9 TYR 0.132 0.063 4 0 "[ . 1 . ]"
1 10 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 11 ASP 0.893 0.293 16 0 "[ . 1 . ]"
1 12 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 13 ASP 0.474 0.169 13 0 "[ . 1 . ]"
1 14 LYS 0.484 0.293 16 0 "[ . 1 . ]"
1 15 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 17 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 18 GLN 0.148 0.072 15 0 "[ . 1 . ]"
1 19 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 20 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 21 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 22 ILE 0.972 0.310 14 0 "[ . 1 . ]"
1 23 VAL 0.307 0.153 13 0 "[ . 1 . ]"
1 24 THR 2.658 0.263 13 0 "[ . 1 . ]"
1 25 VAL 2.291 0.263 13 0 "[ . 1 . ]"
1 26 THR 0.770 0.173 11 0 "[ . 1 . ]"
1 27 GLY 0.024 0.024 7 0 "[ . 1 . ]"
1 28 LYS 0.726 0.293 2 0 "[ . 1 . ]"
1 29 THR 0.762 0.293 2 0 "[ . 1 . ]"
1 30 ASP 0.943 0.141 16 0 "[ . 1 . ]"
1 31 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 32 SER 0.153 0.061 16 0 "[ . 1 . ]"
1 33 THR 2.641 0.291 8 0 "[ . 1 . ]"
1 34 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 35 TYR 1.030 0.175 6 0 "[ . 1 . ]"
1 36 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 37 VAL 0.021 0.021 16 0 "[ . 1 . ]"
1 38 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 39 ILE 0.118 0.063 4 0 "[ . 1 . ]"
1 40 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 41 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 43 TYR 2.278 0.206 2 0 "[ . 1 . ]"
1 44 GLU 0.375 0.160 10 0 "[ . 1 . ]"
1 45 TYR 0.069 0.048 14 0 "[ . 1 . ]"
1 46 VAL 2.138 0.205 13 0 "[ . 1 . ]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 48 THR 0.147 0.084 16 0 "[ . 1 . ]"
1 49 ASP 0.536 0.140 16 0 "[ . 1 . ]"
1 50 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 51 GLY 0.012 0.012 7 0 "[ . 1 . ]"
1 52 VAL 0.287 0.200 2 0 "[ . 1 . ]"
1 53 VAL 0.398 0.098 14 0 "[ . 1 . ]"
1 54 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 55 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 56 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 57 GLY 0.153 0.081 14 0 "[ . 1 . ]"
1 58 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 59 THR 0.098 0.098 14 0 "[ . 1 . ]"
1 60 VAL 0.754 0.175 6 0 "[ . 1 . ]"
1 61 THR 0.287 0.200 2 0 "[ . 1 . ]"
1 62 ILE 1.559 0.205 13 0 "[ . 1 . ]"
1 63 THR 3.436 0.291 8 0 "[ . 1 . ]"
1 64 PHE 0.499 0.148 1 0 "[ . 1 . ]"
1 65 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 66 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 67 ASP 0.414 0.201 11 0 "[ . 1 . ]"
1 68 ASP 0.767 0.324 1 0 "[ . 1 . ]"
1 69 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 70 ASP 0.541 0.308 1 0 "[ . 1 . ]"
1 71 ASN 0.680 0.324 1 0 "[ . 1 . ]"
1 72 VAL 0.366 0.104 14 0 "[ . 1 . ]"
1 73 VAL 0.494 0.140 16 0 "[ . 1 . ]"
1 74 ILE 0.422 0.104 14 0 "[ . 1 . ]"
1 75 HIS 0.063 0.041 16 0 "[ . 1 . ]"
1 76 LEU 2.268 0.205 13 0 "[ . 1 . ]"
1 77 LYS 0.194 0.160 10 0 "[ . 1 . ]"
1 78 HIS 2.052 0.206 2 0 "[ . 1 . ]"
1 79 GLY 0.101 0.071 14 0 "[ . 1 . ]"
1 80 LEU 0.012 0.012 15 0 "[ . 1 . ]"
1 81 GLU 0.012 0.012 15 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 2 ASP QB 5.070 . 5.070 4.748 4.385 5.278 0.208 15 0 "[ . 1 . ]" 1
2 1 2 ASP H 1 2 ASP QB 3.890 . 3.890 2.707 2.258 3.457 . 0 0 "[ . 1 . ]" 1
3 1 2 ASP HA 1 28 LYS QB 5.240 . 5.240 4.229 3.326 5.136 . 0 0 "[ . 1 . ]" 1
4 1 2 ASP HA 1 28 LYS HD2 6.030 . 6.030 4.043 2.115 6.036 0.006 16 0 "[ . 1 . ]" 1
5 1 2 ASP HA 1 28 LYS QD 5.180 . 5.180 3.415 2.063 4.834 . 0 0 "[ . 1 . ]" 1
6 1 2 ASP HA 1 28 LYS HD3 6.030 . 6.030 4.061 2.449 6.158 0.128 9 0 "[ . 1 . ]" 1
7 1 2 ASP QB 1 26 THR HB 5.300 . 5.300 4.131 2.831 5.329 0.029 15 0 "[ . 1 . ]" 1
8 1 2 ASP QB 1 26 THR MG 4.270 . 4.270 3.635 2.301 4.443 0.173 11 0 "[ . 1 . ]" 1
9 1 2 ASP HB2 1 3 GLU H 5.320 . 5.320 3.951 2.907 4.523 . 0 0 "[ . 1 . ]" 1
10 1 2 ASP HB2 1 27 GLY H 5.840 . 5.840 4.654 3.409 5.709 . 0 0 "[ . 1 . ]" 1
11 1 2 ASP HB3 1 3 GLU H 5.320 . 5.320 3.793 2.434 4.453 . 0 0 "[ . 1 . ]" 1
12 1 2 ASP HB3 1 27 GLY H 5.840 . 5.840 4.515 2.961 5.864 0.024 7 0 "[ . 1 . ]" 1
13 1 3 GLU H 1 3 GLU QG 5.090 . 5.090 3.286 2.236 4.149 . 0 0 "[ . 1 . ]" 1
14 1 3 GLU H 1 27 GLY H 5.050 . 5.050 3.501 3.126 4.050 . 0 0 "[ . 1 . ]" 1
15 1 3 GLU QB 1 4 ASP H 4.110 . 4.110 2.911 2.093 3.631 . 0 0 "[ . 1 . ]" 1
16 1 3 GLU QB 1 29 THR H 5.820 . 5.820 3.629 2.320 5.727 . 0 0 "[ . 1 . ]" 1
17 1 3 GLU QB 1 64 PHE HB3 5.020 . 5.020 2.625 1.888 4.278 . 0 0 "[ . 1 . ]" 1
18 1 3 GLU HB2 1 4 ASP H 4.870 . 4.870 3.716 2.109 4.338 . 0 0 "[ . 1 . ]" 1
19 1 3 GLU HB3 1 4 ASP H 4.870 . 4.870 3.266 2.567 4.005 . 0 0 "[ . 1 . ]" 1
20 1 3 GLU QG 1 29 THR H 5.440 . 5.440 3.611 1.934 5.427 . 0 0 "[ . 1 . ]" 1
21 1 3 GLU QG 1 29 THR MG 5.120 . 5.120 3.282 1.726 4.493 . 0 0 "[ . 1 . ]" 1
22 1 4 ASP HA 1 5 ALA H 3.700 . 3.700 2.308 2.149 2.412 . 0 0 "[ . 1 . ]" 1
23 1 4 ASP HA 1 24 THR MG 5.020 . 5.020 4.259 3.475 5.151 0.131 2 0 "[ . 1 . ]" 1
24 1 4 ASP HA 1 26 THR HA 4.350 . 4.350 2.267 2.005 2.595 . 0 0 "[ . 1 . ]" 1
25 1 4 ASP HA 1 27 GLY H 5.100 . 5.100 3.522 2.942 3.981 . 0 0 "[ . 1 . ]" 1
26 1 4 ASP QB 1 5 ALA H 4.270 . 4.270 2.649 2.303 3.784 . 0 0 "[ . 1 . ]" 1
27 1 4 ASP QB 1 24 THR MG 4.110 . 4.110 2.513 1.944 4.147 0.037 2 0 "[ . 1 . ]" 1
28 1 4 ASP QB 1 26 THR MG 5.300 . 5.300 3.044 1.836 5.329 0.029 16 0 "[ . 1 . ]" 1
29 1 5 ALA H 1 6 THR H 6.140 . 6.140 4.332 4.059 4.544 . 0 0 "[ . 1 . ]" 1
30 1 5 ALA H 1 24 THR MG 4.800 . 4.800 3.540 2.790 4.808 0.008 14 0 "[ . 1 . ]" 1
31 1 5 ALA H 1 25 VAL MG2 5.060 . 5.060 3.022 2.731 3.272 . 0 0 "[ . 1 . ]" 1
32 1 5 ALA H 1 26 THR HA 5.600 . 5.600 3.718 3.412 3.914 . 0 0 "[ . 1 . ]" 1
33 1 5 ALA H 1 64 PHE QD 5.740 . 5.740 3.198 2.390 4.012 . 0 0 "[ . 1 . ]" 1
34 1 5 ALA H 1 64 PHE QE 5.130 . 5.130 3.281 2.125 5.157 0.027 16 0 "[ . 1 . ]" 1
35 1 5 ALA HA 1 6 THR H 3.530 . 3.530 2.234 2.177 2.300 . 0 0 "[ . 1 . ]" 1
36 1 5 ALA MB 1 6 THR H 4.220 . 4.220 3.018 2.722 3.299 . 0 0 "[ . 1 . ]" 1
37 1 5 ALA MB 1 25 VAL MG2 3.870 . 3.870 2.273 1.984 2.768 . 0 0 "[ . 1 . ]" 1
38 1 5 ALA MB 1 62 ILE HA 4.820 . 4.820 4.736 4.141 5.012 0.192 5 0 "[ . 1 . ]" 1
39 1 5 ALA MB 1 62 ILE MD 3.850 . 3.850 3.449 2.659 4.051 0.201 8 0 "[ . 1 . ]" 1
40 1 5 ALA MB 1 62 ILE MG 3.810 . 3.810 2.050 1.914 2.157 . 0 0 "[ . 1 . ]" 1
41 1 5 ALA MB 1 63 THR H 5.590 . 5.590 4.718 4.145 5.487 . 0 0 "[ . 1 . ]" 1
42 1 5 ALA MB 1 64 PHE QD 4.730 . 4.730 2.655 2.242 3.291 . 0 0 "[ . 1 . ]" 1
43 1 5 ALA MB 1 64 PHE QE 4.630 . 4.630 3.058 2.504 4.249 . 0 0 "[ . 1 . ]" 1
44 1 5 ALA MB 1 70 ASP QB 4.570 . 4.570 2.585 1.930 3.839 . 0 0 "[ . 1 . ]" 1
45 1 5 ALA MB 1 71 ASN H 5.610 . 5.610 4.660 3.827 5.620 0.010 6 0 "[ . 1 . ]" 1
46 1 5 ALA MB 1 71 ASN HA 4.900 . 4.900 3.758 2.458 4.876 . 0 0 "[ . 1 . ]" 1
47 1 5 ALA MB 1 72 VAL H 5.650 . 5.650 4.372 3.686 5.100 . 0 0 "[ . 1 . ]" 1
48 1 6 THR H 1 6 THR MG 4.480 . 4.480 2.783 2.159 3.800 . 0 0 "[ . 1 . ]" 1
49 1 6 THR H 1 7 ILE H 6.540 . 6.540 4.477 4.402 4.561 . 0 0 "[ . 1 . ]" 1
50 1 6 THR H 1 71 ASN HA 4.290 . 4.290 2.756 2.195 3.199 . 0 0 "[ . 1 . ]" 1
51 1 6 THR H 1 71 ASN QB 5.420 . 5.420 3.699 3.009 5.062 . 0 0 "[ . 1 . ]" 1
52 1 6 THR H 1 72 VAL H 5.350 . 5.350 4.010 3.511 4.403 . 0 0 "[ . 1 . ]" 1
53 1 6 THR HA 1 7 ILE H 3.490 . 3.490 2.189 2.134 2.245 . 0 0 "[ . 1 . ]" 1
54 1 6 THR HA 1 7 ILE MD 5.700 . 5.700 3.658 2.702 4.775 . 0 0 "[ . 1 . ]" 1
55 1 6 THR HA 1 22 ILE MG 5.480 . 5.480 3.390 2.942 3.927 . 0 0 "[ . 1 . ]" 1
56 1 6 THR HA 1 24 THR HA 4.550 . 4.550 2.457 1.972 2.966 . 0 0 "[ . 1 . ]" 1
57 1 6 THR HA 1 25 VAL H 5.220 . 5.220 3.739 3.169 4.279 . 0 0 "[ . 1 . ]" 1
58 1 6 THR HA 1 25 VAL MG2 6.170 . 6.170 4.416 3.976 4.876 . 0 0 "[ . 1 . ]" 1
59 1 6 THR HB 1 7 ILE H 4.290 . 4.290 3.445 2.906 4.355 0.065 6 0 "[ . 1 . ]" 1
60 1 6 THR HB 1 22 ILE MG 4.080 . 4.080 2.696 1.944 4.337 0.257 5 0 "[ . 1 . ]" 1
61 1 6 THR MG 1 7 ILE H 4.600 . 4.600 3.823 2.708 4.080 . 0 0 "[ . 1 . ]" 1
62 1 6 THR MG 1 22 ILE HB 5.610 . 5.610 4.958 4.163 5.920 0.310 14 0 "[ . 1 . ]" 1
63 1 7 ILE H 1 7 ILE HB 4.290 . 4.290 2.702 2.559 2.826 . 0 0 "[ . 1 . ]" 1
64 1 7 ILE H 1 7 ILE MD 4.830 . 4.830 2.914 2.104 3.916 . 0 0 "[ . 1 . ]" 1
65 1 7 ILE H 1 7 ILE HG12 5.730 . 5.730 4.050 2.384 4.484 . 0 0 "[ . 1 . ]" 1
66 1 7 ILE H 1 7 ILE HG13 5.730 . 5.730 3.313 2.288 3.921 . 0 0 "[ . 1 . ]" 1
67 1 7 ILE H 1 8 THR H 5.530 . 5.530 4.296 4.153 4.437 . 0 0 "[ . 1 . ]" 1
68 1 7 ILE H 1 22 ILE MG 4.790 . 4.790 2.978 2.476 3.930 . 0 0 "[ . 1 . ]" 1
69 1 7 ILE H 1 23 VAL H 4.540 . 4.540 3.009 2.493 3.595 . 0 0 "[ . 1 . ]" 1
70 1 7 ILE H 1 23 VAL HB 4.860 . 4.860 3.479 2.990 4.949 0.089 13 0 "[ . 1 . ]" 1
71 1 7 ILE H 1 24 THR HA 4.890 . 4.890 3.553 3.143 3.878 . 0 0 "[ . 1 . ]" 1
72 1 7 ILE HA 1 8 THR H 3.600 . 3.600 2.204 2.146 2.274 . 0 0 "[ . 1 . ]" 1
73 1 7 ILE HA 1 22 ILE MG 5.850 . 5.850 4.487 3.963 5.654 . 0 0 "[ . 1 . ]" 1
74 1 7 ILE HA 1 72 VAL H 4.600 . 4.600 2.978 2.838 3.263 . 0 0 "[ . 1 . ]" 1
75 1 7 ILE HA 1 72 VAL HB 5.040 . 5.040 2.765 2.261 3.286 . 0 0 "[ . 1 . ]" 1
76 1 7 ILE HB 1 23 VAL H 5.110 . 5.110 3.058 2.683 3.505 . 0 0 "[ . 1 . ]" 1
77 1 7 ILE HB 1 23 VAL HB 4.150 . 4.150 2.059 1.722 4.215 0.065 13 0 "[ . 1 . ]" 1
78 1 7 ILE MD 1 23 VAL HB 4.680 . 4.680 2.791 2.212 3.966 . 0 0 "[ . 1 . ]" 1
79 1 7 ILE MD 1 23 VAL MG1 4.280 . 4.280 2.716 2.129 4.433 0.153 13 0 "[ . 1 . ]" 1
80 1 7 ILE MD 1 23 VAL MG2 5.590 . 5.590 3.828 2.104 4.744 . 0 0 "[ . 1 . ]" 1
81 1 7 ILE MD 1 25 VAL MG1 4.430 . 4.430 2.793 2.135 4.196 . 0 0 "[ . 1 . ]" 1
82 1 7 ILE MD 1 25 VAL MG2 4.330 . 4.330 2.569 2.086 3.677 . 0 0 "[ . 1 . ]" 1
83 1 7 ILE MD 1 35 TYR HB2 6.120 . 6.120 3.436 3.000 4.069 . 0 0 "[ . 1 . ]" 1
84 1 7 ILE MD 1 35 TYR QB 5.210 . 5.210 3.176 2.799 3.798 . 0 0 "[ . 1 . ]" 1
85 1 7 ILE MD 1 35 TYR HB3 6.120 . 6.120 3.790 3.219 4.549 . 0 0 "[ . 1 . ]" 1
86 1 7 ILE MD 1 35 TYR QD 4.750 . 4.750 3.327 2.841 4.067 . 0 0 "[ . 1 . ]" 1
87 1 7 ILE MD 1 35 TYR QE 4.730 . 4.730 3.711 3.050 4.391 . 0 0 "[ . 1 . ]" 1
88 1 7 ILE MD 1 62 ILE MD 3.750 . 3.750 2.235 1.874 2.735 . 0 0 "[ . 1 . ]" 1
89 1 7 ILE MD 1 72 VAL HB 5.500 . 5.500 3.795 1.826 4.484 . 0 0 "[ . 1 . ]" 1
90 1 7 ILE QG 1 23 VAL MG2 5.420 . 5.420 4.451 3.146 5.168 . 0 0 "[ . 1 . ]" 1
91 1 7 ILE QG 1 62 ILE MD 4.750 . 4.750 2.322 2.042 2.767 . 0 0 "[ . 1 . ]" 1
92 1 7 ILE QG 1 72 VAL H 5.410 . 5.410 3.646 2.983 4.413 . 0 0 "[ . 1 . ]" 1
93 1 7 ILE QG 1 72 VAL MG1 5.620 . 5.620 3.482 2.905 4.721 . 0 0 "[ . 1 . ]" 1
94 1 7 ILE QG 1 72 VAL MG2 5.800 . 5.800 3.250 2.552 4.371 . 0 0 "[ . 1 . ]" 1
95 1 7 ILE HG12 1 72 VAL HB 5.120 . 5.120 3.307 2.064 4.580 . 0 0 "[ . 1 . ]" 1
96 1 7 ILE HG13 1 72 VAL HB 5.120 . 5.120 3.010 1.800 4.293 . 0 0 "[ . 1 . ]" 1
97 1 7 ILE MG 1 8 THR H 4.430 . 4.430 2.969 2.505 3.366 . 0 0 "[ . 1 . ]" 1
98 1 7 ILE MG 1 8 THR HB 6.000 . 6.000 5.087 4.867 5.471 . 0 0 "[ . 1 . ]" 1
99 1 7 ILE MG 1 8 THR MG 6.070 . 6.070 5.188 4.958 5.512 . 0 0 "[ . 1 . ]" 1
100 1 7 ILE MG 1 9 TYR H 5.520 . 5.520 3.937 3.571 4.435 . 0 0 "[ . 1 . ]" 1
101 1 7 ILE MG 1 9 TYR QD 5.760 . 5.760 3.294 2.761 3.894 . 0 0 "[ . 1 . ]" 1
102 1 7 ILE MG 1 9 TYR QE 4.030 . 4.030 2.776 2.410 3.429 . 0 0 "[ . 1 . ]" 1
103 1 7 ILE MG 1 23 VAL HB 5.590 . 5.590 3.481 3.124 5.310 . 0 0 "[ . 1 . ]" 1
104 1 7 ILE MG 1 23 VAL MG2 5.750 . 5.750 3.440 2.907 4.041 . 0 0 "[ . 1 . ]" 1
105 1 7 ILE MG 1 35 TYR QD 5.910 . 5.910 3.073 2.571 3.362 . 0 0 "[ . 1 . ]" 1
106 1 7 ILE MG 1 35 TYR QE 4.410 . 4.410 2.332 2.047 2.568 . 0 0 "[ . 1 . ]" 1
107 1 7 ILE MG 1 72 VAL HB 4.670 . 4.670 2.818 2.247 3.922 . 0 0 "[ . 1 . ]" 1
108 1 7 ILE MG 1 74 ILE H 6.750 . 6.750 3.826 3.402 4.275 . 0 0 "[ . 1 . ]" 1
109 1 7 ILE MG 1 74 ILE MD 3.860 . 3.860 2.792 1.955 3.718 . 0 0 "[ . 1 . ]" 1
110 1 7 ILE MG 1 74 ILE QG 5.000 . 5.000 2.590 1.999 3.599 . 0 0 "[ . 1 . ]" 1
111 1 8 THR H 1 22 ILE MG 6.000 . 6.000 4.312 3.664 5.515 . 0 0 "[ . 1 . ]" 1
112 1 8 THR H 1 73 VAL HA 4.290 . 4.290 2.846 2.584 3.220 . 0 0 "[ . 1 . ]" 1
113 1 8 THR H 1 73 VAL MG2 6.270 . 6.270 3.806 3.213 4.479 . 0 0 "[ . 1 . ]" 1
114 1 8 THR H 1 74 ILE H 5.460 . 5.460 3.637 3.361 3.926 . 0 0 "[ . 1 . ]" 1
115 1 8 THR HA 1 9 TYR H 3.680 . 3.680 2.200 2.159 2.267 . 0 0 "[ . 1 . ]" 1
116 1 8 THR HA 1 22 ILE MG 6.060 . 6.060 3.375 2.127 4.561 . 0 0 "[ . 1 . ]" 1
117 1 8 THR HB 1 10 VAL MG1 5.530 . 5.530 3.587 3.205 3.965 . 0 0 "[ . 1 . ]" 1
118 1 8 THR HB 1 73 VAL HA 4.770 . 4.770 3.096 2.537 3.461 . 0 0 "[ . 1 . ]" 1
119 1 8 THR HB 1 73 VAL MG1 6.250 . 6.250 3.182 2.753 3.831 . 0 0 "[ . 1 . ]" 1
120 1 8 THR HB 1 73 VAL MG2 4.690 . 4.690 2.786 2.108 3.424 . 0 0 "[ . 1 . ]" 1
121 1 8 THR MG 1 9 TYR H 4.390 . 4.390 3.198 2.967 3.486 . 0 0 "[ . 1 . ]" 1
122 1 8 THR MG 1 10 VAL MG1 3.800 . 3.800 2.160 1.923 2.486 . 0 0 "[ . 1 . ]" 1
123 1 8 THR MG 1 10 VAL MG2 6.830 . 6.830 4.059 3.737 4.472 . 0 0 "[ . 1 . ]" 1
124 1 8 THR MG 1 18 GLN HA 5.160 . 5.160 3.543 3.173 3.804 . 0 0 "[ . 1 . ]" 1
125 1 8 THR MG 1 18 GLN QG 4.140 . 4.140 2.789 1.981 4.039 . 0 0 "[ . 1 . ]" 1
126 1 8 THR MG 1 19 VAL H 5.490 . 5.490 4.273 3.708 4.627 . 0 0 "[ . 1 . ]" 1
127 1 8 THR MG 1 73 VAL MG1 6.660 . 6.660 3.392 2.770 4.191 . 0 0 "[ . 1 . ]" 1
128 1 9 TYR H 1 9 TYR QB 3.890 . 3.890 2.397 2.350 2.505 . 0 0 "[ . 1 . ]" 1
129 1 9 TYR H 1 9 TYR QD 4.440 . 4.440 2.161 1.877 2.588 . 0 0 "[ . 1 . ]" 1
130 1 9 TYR HA 1 10 VAL H 3.580 . 3.580 2.225 2.160 2.332 . 0 0 "[ . 1 . ]" 1
131 1 9 TYR HA 1 10 VAL MG2 5.490 . 5.490 3.763 3.585 3.852 . 0 0 "[ . 1 . ]" 1
132 1 9 TYR HA 1 74 ILE H 4.360 . 4.360 2.986 2.728 3.287 . 0 0 "[ . 1 . ]" 1
133 1 9 TYR HA 1 74 ILE HB 5.160 . 5.160 2.367 2.016 2.860 . 0 0 "[ . 1 . ]" 1
134 1 9 TYR HA 1 74 ILE MD 6.310 . 6.310 4.662 3.159 5.164 . 0 0 "[ . 1 . ]" 1
135 1 9 TYR HA 1 74 ILE QG 6.090 . 6.090 3.931 3.358 4.528 . 0 0 "[ . 1 . ]" 1
136 1 9 TYR HA 1 74 ILE MG 5.720 . 5.720 3.725 3.456 3.956 . 0 0 "[ . 1 . ]" 1
137 1 9 TYR QB 1 19 VAL H 5.380 . 5.380 3.139 2.807 3.557 . 0 0 "[ . 1 . ]" 1
138 1 9 TYR QB 1 19 VAL HB 4.500 . 4.500 2.201 1.813 2.946 . 0 0 "[ . 1 . ]" 1
139 1 9 TYR QB 1 19 VAL MG1 5.680 . 5.680 3.306 3.021 3.726 . 0 0 "[ . 1 . ]" 1
140 1 9 TYR QB 1 19 VAL MG2 4.400 . 4.400 3.233 2.531 4.200 . 0 0 "[ . 1 . ]" 1
141 1 9 TYR QB 1 76 LEU MD1 4.390 . 4.390 2.648 2.209 3.066 . 0 0 "[ . 1 . ]" 1
142 1 9 TYR HB2 1 19 VAL HB 5.210 . 5.210 2.713 1.904 3.627 . 0 0 "[ . 1 . ]" 1
143 1 9 TYR HB3 1 19 VAL HB 5.210 . 5.210 2.363 2.088 3.117 . 0 0 "[ . 1 . ]" 1
144 1 9 TYR QD 1 23 VAL MG2 5.860 . 5.860 3.580 3.129 4.080 . 0 0 "[ . 1 . ]" 1
145 1 9 TYR QD 1 40 PRO QD 5.790 . 5.790 3.899 3.430 4.389 . 0 0 "[ . 1 . ]" 1
146 1 9 TYR QD 1 74 ILE HB 5.540 . 5.540 3.096 2.775 3.537 . 0 0 "[ . 1 . ]" 1
147 1 9 TYR QD 1 74 ILE MD 5.850 . 5.850 4.388 3.330 5.053 . 0 0 "[ . 1 . ]" 1
148 1 9 TYR QD 1 74 ILE MG 4.190 . 4.190 2.853 2.637 3.014 . 0 0 "[ . 1 . ]" 1
149 1 9 TYR QD 1 76 LEU MD1 4.070 . 4.070 1.997 1.687 2.501 . 0 0 "[ . 1 . ]" 1
150 1 9 TYR QD 1 76 LEU MD2 3.980 . 3.980 3.297 2.828 3.995 0.015 16 0 "[ . 1 . ]" 1
151 1 9 TYR QE 1 23 VAL MG2 5.070 . 5.070 2.874 2.428 3.530 . 0 0 "[ . 1 . ]" 1
152 1 9 TYR QE 1 37 VAL MG1 4.360 . 4.360 2.261 1.992 2.633 . 0 0 "[ . 1 . ]" 1
153 1 9 TYR QE 1 38 THR H 4.800 . 4.800 2.662 2.158 3.287 . 0 0 "[ . 1 . ]" 1
154 1 9 TYR QE 1 39 ILE HA 4.560 . 4.560 4.155 3.403 4.623 0.063 4 0 "[ . 1 . ]" 1
155 1 9 TYR QE 1 39 ILE MD 4.880 . 4.880 3.298 2.266 3.993 . 0 0 "[ . 1 . ]" 1
156 1 9 TYR QE 1 40 PRO QD 4.820 . 4.820 4.112 3.771 4.678 . 0 0 "[ . 1 . ]" 1
157 1 9 TYR QE 1 74 ILE MD 4.970 . 4.970 3.788 2.743 4.449 . 0 0 "[ . 1 . ]" 1
158 1 9 TYR QE 1 74 ILE QG 4.890 . 4.890 3.613 3.036 4.556 . 0 0 "[ . 1 . ]" 1
159 1 9 TYR QE 1 74 ILE MG 4.290 . 4.290 2.712 2.427 3.096 . 0 0 "[ . 1 . ]" 1
160 1 9 TYR QE 1 76 LEU MD1 5.210 . 5.210 3.501 2.975 4.084 . 0 0 "[ . 1 . ]" 1
161 1 9 TYR QE 1 76 LEU MD2 4.870 . 4.870 3.813 3.304 4.595 . 0 0 "[ . 1 . ]" 1
162 1 10 VAL H 1 10 VAL MG1 4.640 . 4.640 3.120 2.947 3.295 . 0 0 "[ . 1 . ]" 1
163 1 10 VAL H 1 10 VAL MG2 3.940 . 3.940 2.348 2.226 2.511 . 0 0 "[ . 1 . ]" 1
164 1 10 VAL H 1 11 ASP H 4.540 . 4.540 4.421 4.294 4.485 . 0 0 "[ . 1 . ]" 1
165 1 10 VAL H 1 74 ILE H 5.200 . 5.200 4.124 3.836 4.490 . 0 0 "[ . 1 . ]" 1
166 1 10 VAL H 1 75 HIS HA 4.760 . 4.760 3.316 2.956 3.644 . 0 0 "[ . 1 . ]" 1
167 1 10 VAL H 1 76 LEU HG 5.340 . 5.340 3.718 3.211 4.029 . 0 0 "[ . 1 . ]" 1
168 1 10 VAL HA 1 11 ASP H 3.570 . 3.570 2.296 2.182 2.424 . 0 0 "[ . 1 . ]" 1
169 1 10 VAL HA 1 19 VAL H 4.670 . 4.670 2.788 2.455 3.279 . 0 0 "[ . 1 . ]" 1
170 1 10 VAL HA 1 19 VAL MG2 4.620 . 4.620 2.661 2.334 3.274 . 0 0 "[ . 1 . ]" 1
171 1 10 VAL HB 1 11 ASP H 4.160 . 4.160 2.819 2.394 3.265 . 0 0 "[ . 1 . ]" 1
172 1 10 VAL HB 1 16 GLY H 5.780 . 5.780 4.463 4.066 4.832 . 0 0 "[ . 1 . ]" 1
173 1 10 VAL HB 1 16 GLY HA2 4.920 . 4.920 2.321 1.873 2.674 . 0 0 "[ . 1 . ]" 1
174 1 10 VAL HB 1 16 GLY QA 4.280 . 4.280 2.277 1.860 2.620 . 0 0 "[ . 1 . ]" 1
175 1 10 VAL HB 1 16 GLY HA3 4.920 . 4.920 3.338 2.890 3.955 . 0 0 "[ . 1 . ]" 1
176 1 10 VAL MG1 1 11 ASP H 5.000 . 5.000 3.834 3.735 3.990 . 0 0 "[ . 1 . ]" 1
177 1 10 VAL MG1 1 16 GLY QA 5.750 . 5.750 3.415 3.096 3.687 . 0 0 "[ . 1 . ]" 1
178 1 10 VAL MG1 1 18 GLN HA 4.630 . 4.630 2.607 2.096 3.508 . 0 0 "[ . 1 . ]" 1
179 1 10 VAL MG1 1 73 VAL MG1 3.900 . 3.900 2.469 2.105 2.996 . 0 0 "[ . 1 . ]" 1
180 1 10 VAL MG2 1 11 ASP H 5.300 . 5.300 3.756 3.358 4.091 . 0 0 "[ . 1 . ]" 1
181 1 10 VAL MG2 1 12 ASP H 5.600 . 5.600 3.903 3.339 4.815 . 0 0 "[ . 1 . ]" 1
182 1 10 VAL MG2 1 16 GLY HA2 5.730 . 5.730 3.071 2.706 3.421 . 0 0 "[ . 1 . ]" 1
183 1 10 VAL MG2 1 16 GLY QA 4.940 . 4.940 2.945 2.637 3.261 . 0 0 "[ . 1 . ]" 1
184 1 10 VAL MG2 1 16 GLY HA3 5.730 . 5.730 3.799 3.495 4.234 . 0 0 "[ . 1 . ]" 1
185 1 10 VAL MG2 1 75 HIS H 5.820 . 5.820 4.153 3.876 4.633 . 0 0 "[ . 1 . ]" 1
186 1 10 VAL MG2 1 75 HIS HA 4.300 . 4.300 2.244 1.998 2.652 . 0 0 "[ . 1 . ]" 1
187 1 10 VAL MG2 1 75 HIS HE1 4.420 . 4.420 3.395 2.986 4.155 . 0 0 "[ . 1 . ]" 1
188 1 10 VAL MG2 1 76 LEU H 4.680 . 4.680 3.237 2.700 3.702 . 0 0 "[ . 1 . ]" 1
189 1 11 ASP H 1 11 ASP HB2 4.170 . 4.170 2.903 2.315 3.899 . 0 0 "[ . 1 . ]" 1
190 1 11 ASP H 1 11 ASP QB 3.610 . 3.610 2.453 2.211 2.878 . 0 0 "[ . 1 . ]" 1
191 1 11 ASP H 1 11 ASP HB3 4.170 . 4.170 2.853 2.513 3.657 . 0 0 "[ . 1 . ]" 1
192 1 11 ASP H 1 17 ALA H 5.260 . 5.260 2.965 1.875 3.889 . 0 0 "[ . 1 . ]" 1
193 1 11 ASP H 1 17 ALA MB 4.730 . 4.730 3.540 3.002 4.259 . 0 0 "[ . 1 . ]" 1
194 1 11 ASP H 1 18 GLN HA 5.670 . 5.670 4.035 3.484 4.405 . 0 0 "[ . 1 . ]" 1
195 1 11 ASP H 1 19 VAL MG2 4.410 . 4.410 2.768 2.168 3.172 . 0 0 "[ . 1 . ]" 1
196 1 11 ASP QB 1 14 LYS H 4.800 . 4.800 3.246 2.098 4.216 . 0 0 "[ . 1 . ]" 1
197 1 11 ASP QB 1 14 LYS HB2 5.030 . 5.030 3.125 1.894 4.857 . 0 0 "[ . 1 . ]" 1
198 1 11 ASP QB 1 14 LYS HB3 5.350 . 5.350 3.402 2.060 5.643 0.293 16 0 "[ . 1 . ]" 1
199 1 11 ASP QB 1 17 ALA H 4.800 . 4.800 3.367 2.552 4.681 . 0 0 "[ . 1 . ]" 1
200 1 11 ASP QB 1 17 ALA MB 4.410 . 4.410 2.993 1.909 4.322 . 0 0 "[ . 1 . ]" 1
201 1 11 ASP QB 1 19 VAL MG2 4.130 . 4.130 2.416 2.053 3.602 . 0 0 "[ . 1 . ]" 1
202 1 11 ASP QB 1 43 TYR QE 4.150 . 4.150 3.127 2.102 4.301 0.151 5 0 "[ . 1 . ]" 1
203 1 11 ASP HB2 1 14 LYS H 5.460 . 5.460 4.336 2.789 4.992 . 0 0 "[ . 1 . ]" 1
204 1 11 ASP HB2 1 14 LYS HB2 5.930 . 5.930 4.175 2.001 5.175 . 0 0 "[ . 1 . ]" 1
205 1 11 ASP HB2 1 19 VAL MG2 4.790 . 4.790 2.725 2.068 3.892 . 0 0 "[ . 1 . ]" 1
206 1 11 ASP HB2 1 43 TYR QE 5.030 . 5.030 3.398 2.120 4.722 . 0 0 "[ . 1 . ]" 1
207 1 11 ASP HB3 1 14 LYS H 5.460 . 5.460 3.513 2.139 5.250 . 0 0 "[ . 1 . ]" 1
208 1 11 ASP HB3 1 14 LYS HB2 5.930 . 5.930 3.368 2.295 5.882 . 0 0 "[ . 1 . ]" 1
209 1 11 ASP HB3 1 19 VAL MG2 4.790 . 4.790 3.340 2.182 4.392 . 0 0 "[ . 1 . ]" 1
210 1 11 ASP HB3 1 43 TYR QE 5.030 . 5.030 4.077 2.522 5.178 0.148 9 0 "[ . 1 . ]" 1
211 1 12 ASP H 1 12 ASP QB 3.890 . 3.890 2.343 2.148 2.737 . 0 0 "[ . 1 . ]" 1
212 1 12 ASP H 1 13 ASP H 4.230 . 4.230 2.725 2.515 2.926 . 0 0 "[ . 1 . ]" 1
213 1 12 ASP H 1 76 LEU H 4.840 . 4.840 2.831 2.031 3.700 . 0 0 "[ . 1 . ]" 1
214 1 12 ASP HA 1 14 LYS H 5.520 . 5.520 3.866 3.602 4.379 . 0 0 "[ . 1 . ]" 1
215 1 12 ASP HA 1 16 GLY H 4.530 . 4.530 2.688 2.066 3.444 . 0 0 "[ . 1 . ]" 1
216 1 12 ASP QB 1 13 ASP H 4.810 . 4.810 3.016 2.701 3.704 . 0 0 "[ . 1 . ]" 1
217 1 13 ASP H 1 13 ASP HB2 4.380 . 4.380 2.452 2.318 2.661 . 0 0 "[ . 1 . ]" 1
218 1 13 ASP H 1 13 ASP QB 3.710 . 3.710 2.294 2.169 2.599 . 0 0 "[ . 1 . ]" 1
219 1 13 ASP H 1 13 ASP HB3 4.380 . 4.380 2.997 2.420 3.662 . 0 0 "[ . 1 . ]" 1
220 1 13 ASP H 1 14 LYS H 3.840 . 3.840 2.612 2.441 2.872 . 0 0 "[ . 1 . ]" 1
221 1 13 ASP H 1 77 LYS HA 4.910 . 4.910 2.992 2.375 3.630 . 0 0 "[ . 1 . ]" 1
222 1 13 ASP HA 1 14 LYS QE 5.420 . 5.420 5.212 4.716 5.488 0.068 4 0 "[ . 1 . ]" 1
223 1 13 ASP QB 1 78 HIS H 4.950 . 4.950 2.675 1.931 4.026 . 0 0 "[ . 1 . ]" 1
224 1 13 ASP QB 1 78 HIS HD2 4.680 . 4.680 4.313 3.722 4.849 0.169 13 0 "[ . 1 . ]" 1
225 1 13 ASP QB 1 78 HIS HE1 4.920 . 4.920 3.479 2.777 4.422 . 0 0 "[ . 1 . ]" 1
226 1 13 ASP HB2 1 14 LYS H 6.110 . 6.110 3.803 3.230 4.233 . 0 0 "[ . 1 . ]" 1
227 1 13 ASP HB3 1 14 LYS H 6.110 . 6.110 3.502 2.829 4.279 . 0 0 "[ . 1 . ]" 1
228 1 14 LYS H 1 14 LYS HB2 4.030 . 4.030 2.657 2.481 2.894 . 0 0 "[ . 1 . ]" 1
229 1 14 LYS H 1 15 GLY H 4.350 . 4.350 2.596 2.374 3.033 . 0 0 "[ . 1 . ]" 1
230 1 14 LYS H 1 16 GLY H 4.700 . 4.700 3.178 3.051 3.291 . 0 0 "[ . 1 . ]" 1
231 1 14 LYS HA 1 14 LYS QE 6.350 . 6.350 2.458 1.752 3.972 . 0 0 "[ . 1 . ]" 1
232 1 14 LYS HB2 1 14 LYS QE 4.710 . 4.710 2.897 2.028 4.551 . 0 0 "[ . 1 . ]" 1
233 1 14 LYS HB2 1 15 GLY H 5.570 . 5.570 4.389 3.973 4.642 . 0 0 "[ . 1 . ]" 1
234 1 14 LYS HB2 1 16 GLY H 5.890 . 5.890 4.805 3.824 5.282 . 0 0 "[ . 1 . ]" 1
235 1 14 LYS HB2 1 78 HIS HE1 4.680 . 4.680 3.741 2.046 4.666 . 0 0 "[ . 1 . ]" 1
236 1 14 LYS HB3 1 15 GLY H 5.580 . 5.580 4.229 3.997 4.501 . 0 0 "[ . 1 . ]" 1
237 1 14 LYS HB3 1 17 ALA H 5.010 . 5.010 3.252 2.472 4.436 . 0 0 "[ . 1 . ]" 1
238 1 14 LYS HB3 1 17 ALA MB 4.220 . 4.220 2.254 1.909 2.813 . 0 0 "[ . 1 . ]" 1
239 1 14 LYS QG 1 15 GLY H 6.130 . 6.130 4.727 4.440 4.981 . 0 0 "[ . 1 . ]" 1
240 1 16 GLY H 1 17 ALA H 3.870 . 3.870 2.604 2.292 3.349 . 0 0 "[ . 1 . ]" 1
241 1 16 GLY H 1 17 ALA MB 5.970 . 5.970 4.192 3.861 4.340 . 0 0 "[ . 1 . ]" 1
242 1 17 ALA H 1 17 ALA MB 3.410 . 3.410 2.312 2.245 2.689 . 0 0 "[ . 1 . ]" 1
243 1 17 ALA H 1 18 GLN H 5.300 . 5.300 4.589 4.308 4.675 . 0 0 "[ . 1 . ]" 1
244 1 17 ALA H 1 19 VAL MG2 5.820 . 5.820 5.020 4.023 5.594 . 0 0 "[ . 1 . ]" 1
245 1 17 ALA HA 1 18 GLN H 3.340 . 3.340 2.273 2.187 2.505 . 0 0 "[ . 1 . ]" 1
246 1 17 ALA MB 1 18 GLN H 3.940 . 3.940 2.927 2.375 3.348 . 0 0 "[ . 1 . ]" 1
247 1 18 GLN H 1 18 GLN HB2 3.820 . 3.820 2.628 2.312 3.670 . 0 0 "[ . 1 . ]" 1
248 1 18 GLN H 1 18 GLN QB 3.340 . 3.340 2.280 2.204 2.635 . 0 0 "[ . 1 . ]" 1
249 1 18 GLN H 1 18 GLN HB3 3.820 . 3.820 2.538 2.363 2.779 . 0 0 "[ . 1 . ]" 1
250 1 18 GLN HA 1 19 VAL H 3.650 . 3.650 2.159 2.110 2.198 . 0 0 "[ . 1 . ]" 1
251 1 18 GLN HA 1 19 VAL MG1 5.650 . 5.650 5.551 5.510 5.612 . 0 0 "[ . 1 . ]" 1
252 1 18 GLN QE 1 22 ILE H 4.480 . 4.480 3.218 2.353 4.520 0.040 9 0 "[ . 1 . ]" 1
253 1 18 GLN QE 1 22 ILE MD 4.410 . 4.410 3.179 2.328 4.103 . 0 0 "[ . 1 . ]" 1
254 1 18 GLN QE 1 22 ILE QG 4.190 . 4.190 2.613 1.657 4.207 0.017 15 0 "[ . 1 . ]" 1
255 1 18 GLN QE 1 22 ILE MG 5.540 . 5.540 4.789 4.105 5.612 0.072 15 0 "[ . 1 . ]" 1
256 1 18 GLN HE21 1 22 ILE H 5.160 . 5.160 3.785 2.992 5.178 0.018 9 0 "[ . 1 . ]" 1
257 1 18 GLN HE22 1 22 ILE H 5.160 . 5.160 3.512 2.461 4.981 . 0 0 "[ . 1 . ]" 1
258 1 18 GLN QG 1 19 VAL H 4.290 . 4.290 3.014 2.662 4.050 . 0 0 "[ . 1 . ]" 1
259 1 18 GLN QG 1 22 ILE MD 5.970 . 5.970 3.894 2.052 5.045 . 0 0 "[ . 1 . ]" 1
260 1 18 GLN HG2 1 19 VAL H 5.200 . 5.200 3.509 2.975 5.080 . 0 0 "[ . 1 . ]" 1
261 1 18 GLN HG2 1 22 ILE MD 6.830 . 6.830 4.773 2.498 6.023 . 0 0 "[ . 1 . ]" 1
262 1 18 GLN HG3 1 19 VAL H 5.200 . 5.200 3.392 2.961 4.664 . 0 0 "[ . 1 . ]" 1
263 1 18 GLN HG3 1 22 ILE MD 6.830 . 6.830 4.286 2.074 5.439 . 0 0 "[ . 1 . ]" 1
264 1 19 VAL H 1 19 VAL HB 4.250 . 4.250 2.620 2.554 2.711 . 0 0 "[ . 1 . ]" 1
265 1 19 VAL H 1 19 VAL MG2 4.320 . 4.320 2.443 2.215 2.852 . 0 0 "[ . 1 . ]" 1
266 1 19 VAL HA 1 20 GLY H 3.480 . 3.480 2.202 2.173 2.265 . 0 0 "[ . 1 . ]" 1
267 1 19 VAL HB 1 76 LEU MD1 5.570 . 5.570 3.036 2.520 3.697 . 0 0 "[ . 1 . ]" 1
268 1 19 VAL MG1 1 20 GLY H 4.530 . 4.530 3.124 2.443 3.299 . 0 0 "[ . 1 . ]" 1
269 1 19 VAL MG1 1 40 PRO HB2 5.920 . 5.920 3.937 3.412 5.003 . 0 0 "[ . 1 . ]" 1
270 1 19 VAL MG1 1 40 PRO QB 5.200 . 5.200 3.546 3.160 4.433 . 0 0 "[ . 1 . ]" 1
271 1 19 VAL MG1 1 40 PRO HB3 5.920 . 5.920 4.052 3.563 4.950 . 0 0 "[ . 1 . ]" 1
272 1 19 VAL MG1 1 40 PRO HG2 5.010 . 5.010 2.679 2.014 3.625 . 0 0 "[ . 1 . ]" 1
273 1 19 VAL MG1 1 40 PRO HG3 5.010 . 5.010 2.869 1.995 4.028 . 0 0 "[ . 1 . ]" 1
274 1 19 VAL MG1 1 43 TYR QE 4.140 . 4.140 3.216 2.670 3.669 . 0 0 "[ . 1 . ]" 1
275 1 19 VAL MG2 1 20 GLY H 5.470 . 5.470 4.294 4.026 4.391 . 0 0 "[ . 1 . ]" 1
276 1 19 VAL MG2 1 43 TYR QD 6.110 . 6.110 3.274 2.801 4.157 . 0 0 "[ . 1 . ]" 1
277 1 19 VAL MG2 1 43 TYR QE 4.070 . 4.070 2.707 2.293 3.215 . 0 0 "[ . 1 . ]" 1
278 1 19 VAL MG2 1 76 LEU MD1 4.430 . 4.430 2.460 1.774 4.138 . 0 0 "[ . 1 . ]" 1
279 1 20 GLY H 1 21 ASP H 5.470 . 5.470 4.447 4.196 4.640 . 0 0 "[ . 1 . ]" 1
280 1 20 GLY QA 1 21 ASP H 3.260 . 3.260 2.200 2.150 2.296 . 0 0 "[ . 1 . ]" 1
281 1 21 ASP H 1 21 ASP QB 3.540 . 3.540 2.876 2.454 3.335 . 0 0 "[ . 1 . ]" 1
282 1 21 ASP H 1 22 ILE H 5.350 . 5.350 4.460 4.384 4.600 . 0 0 "[ . 1 . ]" 1
283 1 21 ASP QB 1 22 ILE H 4.080 . 4.080 2.587 2.007 3.496 . 0 0 "[ . 1 . ]" 1
284 1 22 ILE H 1 22 ILE HB 3.610 . 3.610 2.540 2.366 2.689 . 0 0 "[ . 1 . ]" 1
285 1 22 ILE H 1 22 ILE MD 4.680 . 4.680 3.413 1.749 3.986 . 0 0 "[ . 1 . ]" 1
286 1 22 ILE H 1 22 ILE HG12 4.780 . 4.780 3.616 2.253 4.133 . 0 0 "[ . 1 . ]" 1
287 1 22 ILE H 1 22 ILE QG 4.050 . 4.050 2.549 2.227 3.516 . 0 0 "[ . 1 . ]" 1
288 1 22 ILE H 1 22 ILE HG13 4.780 . 4.780 2.706 2.254 3.807 . 0 0 "[ . 1 . ]" 1
289 1 22 ILE H 1 23 VAL MG2 6.060 . 6.060 4.885 4.338 5.544 . 0 0 "[ . 1 . ]" 1
290 1 22 ILE HA 1 23 VAL H 3.590 . 3.590 2.225 2.173 2.291 . 0 0 "[ . 1 . ]" 1
291 1 22 ILE HB 1 23 VAL H 4.990 . 4.990 4.158 3.897 4.453 . 0 0 "[ . 1 . ]" 1
292 1 22 ILE MG 1 23 VAL H 4.230 . 4.230 2.640 2.344 3.079 . 0 0 "[ . 1 . ]" 1
293 1 22 ILE MG 1 24 THR H 5.960 . 5.960 3.925 3.242 4.507 . 0 0 "[ . 1 . ]" 1
294 1 23 VAL H 1 23 VAL HB 4.170 . 4.170 2.673 2.506 3.756 . 0 0 "[ . 1 . ]" 1
295 1 23 VAL H 1 23 VAL MG2 4.170 . 4.170 2.425 2.052 2.566 . 0 0 "[ . 1 . ]" 1
296 1 23 VAL HA 1 24 THR H 3.330 . 3.330 2.251 2.159 2.346 . 0 0 "[ . 1 . ]" 1
297 1 23 VAL MG1 1 24 THR H 4.420 . 4.420 3.202 2.329 3.938 . 0 0 "[ . 1 . ]" 1
298 1 23 VAL MG1 1 35 TYR QE 3.970 . 3.970 2.565 1.772 3.775 . 0 0 "[ . 1 . ]" 1
299 1 23 VAL MG2 1 24 THR H 6.260 . 6.260 4.315 4.097 4.441 . 0 0 "[ . 1 . ]" 1
300 1 23 VAL MG2 1 35 TYR QE 4.700 . 4.700 3.236 2.618 3.811 . 0 0 "[ . 1 . ]" 1
301 1 24 THR H 1 24 THR HB 4.030 . 4.030 2.890 2.604 3.897 . 0 0 "[ . 1 . ]" 1
302 1 24 THR H 1 24 THR MG 4.670 . 4.670 3.721 2.674 4.014 . 0 0 "[ . 1 . ]" 1
303 1 24 THR HA 1 25 VAL H 3.530 . 3.530 2.182 2.147 2.217 . 0 0 "[ . 1 . ]" 1
304 1 24 THR HA 1 25 VAL MG2 5.450 . 5.450 3.763 3.472 3.967 . 0 0 "[ . 1 . ]" 1
305 1 24 THR HB 1 25 VAL HA 4.610 . 4.610 4.734 4.499 4.873 0.263 13 0 "[ . 1 . ]" 1
306 1 24 THR MG 1 25 VAL H 4.120 . 4.120 3.134 2.541 3.989 . 0 0 "[ . 1 . ]" 1
307 1 25 VAL H 1 25 VAL MG1 4.780 . 4.780 2.890 2.697 3.073 . 0 0 "[ . 1 . ]" 1
308 1 25 VAL H 1 25 VAL MG2 4.030 . 4.030 2.103 2.002 2.227 . 0 0 "[ . 1 . ]" 1
309 1 25 VAL HB 1 26 THR H 3.990 . 3.990 2.882 2.476 3.102 . 0 0 "[ . 1 . ]" 1
310 1 25 VAL HB 1 33 THR MG 5.130 . 5.130 3.363 2.450 4.619 . 0 0 "[ . 1 . ]" 1
311 1 25 VAL HB 1 64 PHE QE 5.760 . 5.760 3.204 2.006 4.217 . 0 0 "[ . 1 . ]" 1
312 1 25 VAL HB 1 64 PHE HZ 5.000 . 5.000 3.374 2.662 3.965 . 0 0 "[ . 1 . ]" 1
313 1 25 VAL MG1 1 26 THR H 4.740 . 4.740 3.841 3.736 3.900 . 0 0 "[ . 1 . ]" 1
314 1 25 VAL MG1 1 35 TYR QB 5.580 . 5.580 3.777 2.890 4.953 . 0 0 "[ . 1 . ]" 1
315 1 25 VAL MG1 1 35 TYR QD 5.380 . 5.380 3.627 2.998 4.441 . 0 0 "[ . 1 . ]" 1
316 1 25 VAL MG1 1 35 TYR QE 5.900 . 5.900 4.452 3.905 4.969 . 0 0 "[ . 1 . ]" 1
317 1 25 VAL MG2 1 26 THR H 5.070 . 5.070 3.835 3.464 4.056 . 0 0 "[ . 1 . ]" 1
318 1 25 VAL MG2 1 62 ILE MD 4.240 . 4.240 3.054 1.991 4.226 . 0 0 "[ . 1 . ]" 1
319 1 25 VAL MG2 1 62 ILE MG 4.140 . 4.140 2.857 1.903 4.010 . 0 0 "[ . 1 . ]" 1
320 1 25 VAL MG2 1 64 PHE QD 4.500 . 4.500 3.557 2.320 4.405 . 0 0 "[ . 1 . ]" 1
321 1 25 VAL MG2 1 64 PHE QE 4.030 . 4.030 1.993 1.676 2.629 . 0 0 "[ . 1 . ]" 1
322 1 25 VAL MG2 1 64 PHE HZ 4.650 . 4.650 3.062 2.077 4.240 . 0 0 "[ . 1 . ]" 1
323 1 26 THR H 1 26 THR MG 4.610 . 4.610 3.126 2.124 4.007 . 0 0 "[ . 1 . ]" 1
324 1 26 THR HB 1 27 GLY H 5.330 . 5.330 3.347 2.541 4.160 . 0 0 "[ . 1 . ]" 1
325 1 26 THR MG 1 27 GLY H 5.100 . 5.100 3.339 2.434 3.815 . 0 0 "[ . 1 . ]" 1
326 1 27 GLY QA 1 64 PHE QD 5.930 . 5.930 3.443 3.224 3.729 . 0 0 "[ . 1 . ]" 1
327 1 27 GLY QA 1 64 PHE QE 5.270 . 5.270 3.050 2.801 3.613 . 0 0 "[ . 1 . ]" 1
328 1 27 GLY QA 1 64 PHE HZ 6.420 . 6.420 3.575 3.138 4.523 . 0 0 "[ . 1 . ]" 1
329 1 28 LYS H 1 28 LYS QB 3.600 . 3.600 2.676 2.275 2.916 . 0 0 "[ . 1 . ]" 1
330 1 28 LYS H 1 28 LYS HG2 5.610 . 5.610 4.569 2.667 5.278 . 0 0 "[ . 1 . ]" 1
331 1 28 LYS H 1 28 LYS QG 4.820 . 4.820 4.016 2.633 4.450 . 0 0 "[ . 1 . ]" 1
332 1 28 LYS H 1 28 LYS HG3 5.610 . 5.610 4.608 4.054 4.856 . 0 0 "[ . 1 . ]" 1
333 1 28 LYS H 1 29 THR HA 5.310 . 5.310 5.179 4.873 5.603 0.293 2 0 "[ . 1 . ]" 1
334 1 28 LYS H 1 31 ASP HB2 5.680 . 5.680 3.498 2.412 5.445 . 0 0 "[ . 1 . ]" 1
335 1 28 LYS H 1 31 ASP QB 4.880 . 4.880 2.959 1.810 4.842 . 0 0 "[ . 1 . ]" 1
336 1 28 LYS H 1 31 ASP HB3 5.680 . 5.680 3.887 1.820 5.425 . 0 0 "[ . 1 . ]" 1
337 1 28 LYS H 1 64 PHE HB2 5.280 . 5.280 3.663 2.775 4.844 . 0 0 "[ . 1 . ]" 1
338 1 28 LYS QB 1 29 THR H 4.580 . 4.580 3.381 2.708 3.638 . 0 0 "[ . 1 . ]" 1
339 1 28 LYS QB 1 31 ASP QB 4.860 . 4.860 3.120 2.015 4.355 . 0 0 "[ . 1 . ]" 1
340 1 28 LYS QG 1 29 THR H 5.100 . 5.100 2.838 2.155 4.644 . 0 0 "[ . 1 . ]" 1
341 1 28 LYS HG2 1 29 THR H 5.920 . 5.920 3.874 2.250 5.169 . 0 0 "[ . 1 . ]" 1
342 1 28 LYS HG3 1 29 THR H 5.920 . 5.920 3.070 2.294 5.340 . 0 0 "[ . 1 . ]" 1
343 1 29 THR H 1 30 ASP H 5.570 . 5.570 2.938 2.822 3.169 . 0 0 "[ . 1 . ]" 1
344 1 29 THR HA 1 30 ASP H 3.690 . 3.690 3.518 3.444 3.578 . 0 0 "[ . 1 . ]" 1
345 1 29 THR HA 1 64 PHE HB2 5.310 . 5.310 2.717 2.178 3.807 . 0 0 "[ . 1 . ]" 1
346 1 29 THR HA 1 64 PHE HB3 5.380 . 5.380 3.915 3.261 5.221 . 0 0 "[ . 1 . ]" 1
347 1 29 THR MG 1 30 ASP H 4.410 . 4.410 3.512 2.340 4.233 . 0 0 "[ . 1 . ]" 1
348 1 29 THR MG 1 30 ASP HA 5.890 . 5.890 4.575 3.489 5.632 . 0 0 "[ . 1 . ]" 1
349 1 29 THR MG 1 64 PHE HA 6.670 . 6.670 5.711 4.443 6.798 0.128 4 0 "[ . 1 . ]" 1
350 1 29 THR MG 1 65 ALA HA 4.340 . 4.340 3.155 1.824 4.313 . 0 0 "[ . 1 . ]" 1
351 1 29 THR MG 1 66 ALA H 5.340 . 5.340 3.630 2.299 5.202 . 0 0 "[ . 1 . ]" 1
352 1 30 ASP H 1 31 ASP QB 5.850 . 5.850 4.583 4.013 5.156 . 0 0 "[ . 1 . ]" 1
353 1 30 ASP H 1 63 THR MG 5.290 . 5.290 5.259 4.762 5.431 0.141 16 0 "[ . 1 . ]" 1
354 1 30 ASP H 1 64 PHE HB2 5.480 . 5.480 5.081 4.686 5.472 . 0 0 "[ . 1 . ]" 1
355 1 31 ASP H 1 31 ASP QB 3.660 . 3.660 2.489 2.263 2.962 . 0 0 "[ . 1 . ]" 1
356 1 31 ASP H 1 64 PHE H 5.660 . 5.660 4.964 4.436 5.404 . 0 0 "[ . 1 . ]" 1
357 1 31 ASP H 1 64 PHE QD 5.240 . 5.240 3.917 3.255 4.408 . 0 0 "[ . 1 . ]" 1
358 1 31 ASP HA 1 32 SER H 3.490 . 3.490 2.270 2.161 2.367 . 0 0 "[ . 1 . ]" 1
359 1 31 ASP QB 1 32 SER H 3.760 . 3.760 2.970 2.337 3.698 . 0 0 "[ . 1 . ]" 1
360 1 31 ASP QB 1 64 PHE QD 5.450 . 5.450 3.338 2.490 4.555 . 0 0 "[ . 1 . ]" 1
361 1 31 ASP QB 1 64 PHE QE 5.490 . 5.490 3.529 2.237 4.434 . 0 0 "[ . 1 . ]" 1
362 1 31 ASP HB2 1 32 SER H 4.670 . 4.670 3.777 2.363 4.229 . 0 0 "[ . 1 . ]" 1
363 1 31 ASP HB3 1 32 SER H 4.670 . 4.670 3.284 2.418 4.082 . 0 0 "[ . 1 . ]" 1
364 1 32 SER H 1 63 THR MG 5.480 . 5.480 4.152 3.843 4.384 . 0 0 "[ . 1 . ]" 1
365 1 32 SER HA 1 33 THR H 3.540 . 3.540 2.273 2.178 2.452 . 0 0 "[ . 1 . ]" 1
366 1 32 SER HA 1 33 THR MG 5.250 . 5.250 3.730 3.523 3.945 . 0 0 "[ . 1 . ]" 1
367 1 32 SER HA 1 63 THR HA 4.240 . 4.240 2.303 1.906 2.920 . 0 0 "[ . 1 . ]" 1
368 1 32 SER HA 1 63 THR MG 5.110 . 5.110 2.908 2.761 3.131 . 0 0 "[ . 1 . ]" 1
369 1 32 SER HA 1 64 PHE H 5.530 . 5.530 3.520 2.621 4.430 . 0 0 "[ . 1 . ]" 1
370 1 32 SER HA 1 64 PHE QD 5.950 . 5.950 3.693 2.967 4.847 . 0 0 "[ . 1 . ]" 1
371 1 32 SER QB 1 33 THR H 4.040 . 4.040 2.837 2.342 3.608 . 0 0 "[ . 1 . ]" 1
372 1 32 SER QB 1 33 THR HA 6.140 . 6.140 4.449 4.043 4.665 . 0 0 "[ . 1 . ]" 1
373 1 32 SER QB 1 63 THR HA 5.010 . 5.010 3.172 2.643 4.070 . 0 0 "[ . 1 . ]" 1
374 1 32 SER QB 1 64 PHE QE 5.530 . 5.530 5.330 5.006 5.591 0.061 16 0 "[ . 1 . ]" 1
375 1 32 SER HB2 1 33 THR H 4.620 . 4.620 3.015 2.367 4.091 . 0 0 "[ . 1 . ]" 1
376 1 32 SER HB2 1 63 THR MG 4.480 . 4.480 3.534 2.220 4.256 . 0 0 "[ . 1 . ]" 1
377 1 32 SER HB3 1 33 THR H 4.620 . 4.620 3.871 2.757 4.139 . 0 0 "[ . 1 . ]" 1
378 1 32 SER HB3 1 63 THR MG 4.480 . 4.480 2.744 2.016 3.789 . 0 0 "[ . 1 . ]" 1
379 1 33 THR H 1 33 THR MG 3.920 . 3.920 2.358 2.128 2.940 . 0 0 "[ . 1 . ]" 1
380 1 33 THR H 1 34 THR HA 5.430 . 5.430 4.970 4.793 5.272 . 0 0 "[ . 1 . ]" 1
381 1 33 THR H 1 62 ILE MG 5.650 . 5.650 4.466 4.038 4.881 . 0 0 "[ . 1 . ]" 1
382 1 33 THR H 1 63 THR MG 4.480 . 4.480 4.619 4.206 4.771 0.291 8 0 "[ . 1 . ]" 1
383 1 33 THR H 1 64 PHE QE 5.730 . 5.730 4.006 3.175 4.646 . 0 0 "[ . 1 . ]" 1
384 1 33 THR HB 1 34 THR H 5.410 . 5.410 3.827 2.777 4.141 . 0 0 "[ . 1 . ]" 1
385 1 33 THR HB 1 64 PHE QE 4.810 . 4.810 3.314 2.585 4.958 0.148 1 0 "[ . 1 . ]" 1
386 1 33 THR MG 1 34 THR H 4.400 . 4.400 3.578 3.417 3.944 . 0 0 "[ . 1 . ]" 1
387 1 33 THR MG 1 35 TYR QB 5.710 . 5.710 3.697 3.086 5.169 . 0 0 "[ . 1 . ]" 1
388 1 33 THR MG 1 62 ILE MD 4.960 . 4.960 3.303 2.392 4.824 . 0 0 "[ . 1 . ]" 1
389 1 33 THR MG 1 62 ILE MG 5.130 . 5.130 3.234 2.708 4.410 . 0 0 "[ . 1 . ]" 1
390 1 33 THR MG 1 64 PHE QE 4.580 . 4.580 2.811 2.249 3.067 . 0 0 "[ . 1 . ]" 1
391 1 33 THR MG 1 64 PHE HZ 4.400 . 4.400 2.524 2.059 2.903 . 0 0 "[ . 1 . ]" 1
392 1 34 THR H 1 34 THR HB 4.050 . 4.050 3.545 2.677 3.833 . 0 0 "[ . 1 . ]" 1
393 1 34 THR HA 1 35 TYR H 3.530 . 3.530 2.165 2.124 2.287 . 0 0 "[ . 1 . ]" 1
394 1 34 THR HB 1 35 TYR H 4.970 . 4.970 3.683 2.903 4.385 . 0 0 "[ . 1 . ]" 1
395 1 34 THR MG 1 35 TYR H 4.410 . 4.410 3.856 2.733 4.238 . 0 0 "[ . 1 . ]" 1
396 1 35 TYR H 1 35 TYR QD 4.810 . 4.810 4.266 4.181 4.464 . 0 0 "[ . 1 . ]" 1
397 1 35 TYR H 1 60 VAL MG1 6.830 . 6.830 4.396 2.981 5.589 . 0 0 "[ . 1 . ]" 1
398 1 35 TYR H 1 60 VAL QG 5.810 . 5.810 3.664 2.907 4.408 . 0 0 "[ . 1 . ]" 1
399 1 35 TYR H 1 60 VAL MG2 6.830 . 6.830 4.457 2.921 5.369 . 0 0 "[ . 1 . ]" 1
400 1 35 TYR HA 1 35 TYR QD 3.940 . 3.940 2.753 2.550 2.925 . 0 0 "[ . 1 . ]" 1
401 1 35 TYR HA 1 36 THR H 3.420 . 3.420 2.226 2.185 2.263 . 0 0 "[ . 1 . ]" 1
402 1 35 TYR HA 1 36 THR HB 4.910 . 4.910 4.762 4.644 4.836 . 0 0 "[ . 1 . ]" 1
403 1 35 TYR QB 1 60 VAL H 5.410 . 5.410 3.672 3.169 4.229 . 0 0 "[ . 1 . ]" 1
404 1 35 TYR QB 1 60 VAL QG 4.890 . 4.890 2.927 1.892 4.142 . 0 0 "[ . 1 . ]" 1
405 1 35 TYR QB 1 62 ILE MD 4.570 . 4.570 2.254 1.962 3.635 . 0 0 "[ . 1 . ]" 1
406 1 35 TYR HB2 1 36 THR H 5.870 . 5.870 4.244 4.097 4.352 . 0 0 "[ . 1 . ]" 1
407 1 35 TYR HB2 1 62 ILE MD 5.260 . 5.260 2.702 2.175 4.532 . 0 0 "[ . 1 . ]" 1
408 1 35 TYR HB3 1 36 THR H 5.870 . 5.870 4.302 4.139 4.408 . 0 0 "[ . 1 . ]" 1
409 1 35 TYR HB3 1 62 ILE MD 5.260 . 5.260 2.493 1.997 3.828 . 0 0 "[ . 1 . ]" 1
410 1 35 TYR QD 1 36 THR H 4.710 . 4.710 3.429 3.026 3.730 . 0 0 "[ . 1 . ]" 1
411 1 35 TYR QD 1 37 VAL MG2 4.830 . 4.830 3.225 2.404 4.114 . 0 0 "[ . 1 . ]" 1
412 1 35 TYR QD 1 60 VAL H 5.790 . 5.790 4.253 3.750 5.041 . 0 0 "[ . 1 . ]" 1
413 1 35 TYR QD 1 60 VAL HB 4.590 . 4.590 4.038 3.050 4.765 0.175 6 0 "[ . 1 . ]" 1
414 1 35 TYR QD 1 60 VAL QG 5.410 . 5.410 2.848 1.958 3.811 . 0 0 "[ . 1 . ]" 1
415 1 35 TYR QD 1 62 ILE MD 4.510 . 4.510 3.249 2.565 4.465 . 0 0 "[ . 1 . ]" 1
416 1 35 TYR QD 1 62 ILE MG 5.990 . 5.990 5.747 5.156 6.108 0.118 9 0 "[ . 1 . ]" 1
417 1 35 TYR QD 1 74 ILE MD 5.580 . 5.580 3.591 2.636 4.666 . 0 0 "[ . 1 . ]" 1
418 1 35 TYR QE 1 37 VAL HA 4.000 . 4.000 2.919 2.204 3.588 . 0 0 "[ . 1 . ]" 1
419 1 35 TYR QE 1 37 VAL MG2 4.580 . 4.580 3.508 2.819 4.343 . 0 0 "[ . 1 . ]" 1
420 1 35 TYR QE 1 38 THR H 5.330 . 5.330 3.930 3.456 4.302 . 0 0 "[ . 1 . ]" 1
421 1 35 TYR QE 1 60 VAL QG 6.420 . 6.420 4.218 3.440 4.871 . 0 0 "[ . 1 . ]" 1
422 1 36 THR H 1 36 THR HB 3.830 . 3.830 2.671 2.484 2.912 . 0 0 "[ . 1 . ]" 1
423 1 36 THR H 1 36 THR MG 4.730 . 4.730 3.154 1.922 3.881 . 0 0 "[ . 1 . ]" 1
424 1 36 THR HA 1 37 VAL H 3.420 . 3.420 2.175 2.140 2.209 . 0 0 "[ . 1 . ]" 1
425 1 36 THR HA 1 59 THR HA 4.370 . 4.370 2.420 2.008 3.375 . 0 0 "[ . 1 . ]" 1
426 1 36 THR HA 1 59 THR MG 4.370 . 4.370 2.621 2.051 4.164 . 0 0 "[ . 1 . ]" 1
427 1 36 THR HA 1 60 VAL H 5.370 . 5.370 3.782 3.396 4.460 . 0 0 "[ . 1 . ]" 1
428 1 36 THR HB 1 37 VAL H 5.300 . 5.300 4.213 4.014 4.402 . 0 0 "[ . 1 . ]" 1
429 1 36 THR MG 1 37 VAL H 4.350 . 4.350 3.314 2.480 4.302 . 0 0 "[ . 1 . ]" 1
430 1 37 VAL H 1 37 VAL HB 3.760 . 3.760 2.543 2.484 2.610 . 0 0 "[ . 1 . ]" 1
431 1 37 VAL H 1 37 VAL MG2 3.890 . 3.890 2.162 2.086 2.241 . 0 0 "[ . 1 . ]" 1
432 1 37 VAL H 1 58 LYS HA 5.040 . 5.040 3.911 3.210 4.387 . 0 0 "[ . 1 . ]" 1
433 1 37 VAL H 1 59 THR HA 4.420 . 4.420 2.807 2.089 3.926 . 0 0 "[ . 1 . ]" 1
434 1 37 VAL H 1 59 THR MG 4.980 . 4.980 3.911 3.359 4.848 . 0 0 "[ . 1 . ]" 1
435 1 37 VAL HA 1 38 THR H 3.540 . 3.540 2.193 2.170 2.226 . 0 0 "[ . 1 . ]" 1
436 1 37 VAL HA 1 74 ILE MD 6.600 . 6.600 3.879 2.626 4.739 . 0 0 "[ . 1 . ]" 1
437 1 37 VAL HA 1 74 ILE QG 6.160 . 6.160 4.392 3.886 5.224 . 0 0 "[ . 1 . ]" 1
438 1 37 VAL HB 1 38 THR H 5.390 . 5.390 4.201 4.112 4.342 . 0 0 "[ . 1 . ]" 1
439 1 37 VAL HB 1 58 LYS HA 5.250 . 5.250 3.164 2.526 3.590 . 0 0 "[ . 1 . ]" 1
440 1 37 VAL HB 1 74 ILE MD 5.590 . 5.590 4.421 4.070 5.297 . 0 0 "[ . 1 . ]" 1
441 1 37 VAL MG1 1 38 THR H 4.130 . 4.130 2.756 2.570 3.058 . 0 0 "[ . 1 . ]" 1
442 1 37 VAL MG1 1 39 ILE HG12 4.270 . 4.270 3.178 2.701 3.501 . 0 0 "[ . 1 . ]" 1
443 1 37 VAL MG1 1 45 TYR QB 5.620 . 5.620 3.953 2.820 4.671 . 0 0 "[ . 1 . ]" 1
444 1 37 VAL MG1 1 45 TYR QD 4.970 . 4.970 2.799 2.187 3.838 . 0 0 "[ . 1 . ]" 1
445 1 37 VAL MG1 1 45 TYR QE 4.150 . 4.150 2.884 2.214 4.171 0.021 16 0 "[ . 1 . ]" 1
446 1 37 VAL MG1 1 74 ILE MD 4.980 . 4.980 2.550 1.937 3.163 . 0 0 "[ . 1 . ]" 1
447 1 37 VAL MG1 1 74 ILE QG 4.710 . 4.710 2.966 1.938 4.046 . 0 0 "[ . 1 . ]" 1
448 1 37 VAL MG2 1 38 THR H 5.330 . 5.330 4.146 4.062 4.304 . 0 0 "[ . 1 . ]" 1
449 1 37 VAL MG2 1 58 LYS HA 5.470 . 5.470 3.890 3.008 4.431 . 0 0 "[ . 1 . ]" 1
450 1 37 VAL MG2 1 59 THR H 5.670 . 5.670 3.999 3.430 4.709 . 0 0 "[ . 1 . ]" 1
451 1 37 VAL MG2 1 59 THR HA 4.950 . 4.950 2.921 2.350 4.264 . 0 0 "[ . 1 . ]" 1
452 1 37 VAL MG2 1 60 VAL H 5.570 . 5.570 3.433 2.925 4.379 . 0 0 "[ . 1 . ]" 1
453 1 37 VAL MG2 1 74 ILE MD 3.950 . 3.950 2.246 1.809 2.936 . 0 0 "[ . 1 . ]" 1
454 1 38 THR H 1 39 ILE H 5.570 . 5.570 4.262 4.091 4.404 . 0 0 "[ . 1 . ]" 1
455 1 38 THR H 1 39 ILE MD 5.830 . 5.830 4.176 3.700 4.697 . 0 0 "[ . 1 . ]" 1
456 1 38 THR HA 1 39 ILE H 3.400 . 3.400 2.180 2.132 2.219 . 0 0 "[ . 1 . ]" 1
457 1 38 THR HA 1 39 ILE HG12 4.570 . 4.570 3.853 3.614 4.034 . 0 0 "[ . 1 . ]" 1
458 1 38 THR HB 1 39 ILE H 5.500 . 5.500 3.963 3.458 4.451 . 0 0 "[ . 1 . ]" 1
459 1 38 THR MG 1 39 ILE H 4.510 . 4.510 3.734 3.082 4.243 . 0 0 "[ . 1 . ]" 1
460 1 39 ILE H 1 39 ILE HB 3.760 . 3.760 2.605 2.490 2.722 . 0 0 "[ . 1 . ]" 1
461 1 39 ILE H 1 39 ILE MD 5.580 . 5.580 3.309 3.057 3.519 . 0 0 "[ . 1 . ]" 1
462 1 39 ILE H 1 39 ILE HG12 3.910 . 3.910 2.368 2.158 2.549 . 0 0 "[ . 1 . ]" 1
463 1 39 ILE H 1 39 ILE HG13 5.650 . 5.650 3.821 3.693 3.918 . 0 0 "[ . 1 . ]" 1
464 1 39 ILE HA 1 39 ILE MD 4.040 . 4.040 2.170 2.059 2.307 . 0 0 "[ . 1 . ]" 1
465 1 39 ILE HA 1 40 PRO HD2 4.220 . 4.220 2.469 2.048 2.825 . 0 0 "[ . 1 . ]" 1
466 1 39 ILE HA 1 40 PRO HD3 4.220 . 4.220 2.252 1.934 2.707 . 0 0 "[ . 1 . ]" 1
467 1 39 ILE HA 1 40 PRO QG 5.260 . 5.260 3.907 3.812 3.990 . 0 0 "[ . 1 . ]" 1
468 1 39 ILE HB 1 40 PRO QD 5.960 . 5.960 4.350 4.234 4.428 . 0 0 "[ . 1 . ]" 1
469 1 39 ILE MD 1 40 PRO QD 5.350 . 5.350 3.339 3.192 3.536 . 0 0 "[ . 1 . ]" 1
470 1 39 ILE MD 1 45 TYR H 5.110 . 5.110 3.430 2.301 4.509 . 0 0 "[ . 1 . ]" 1
471 1 39 ILE MD 1 45 TYR HB2 5.020 . 5.020 2.162 1.810 2.948 . 0 0 "[ . 1 . ]" 1
472 1 39 ILE MD 1 45 TYR QB 4.130 . 4.130 2.144 1.793 2.903 . 0 0 "[ . 1 . ]" 1
473 1 39 ILE MD 1 45 TYR HB3 5.020 . 5.020 3.585 2.920 4.361 . 0 0 "[ . 1 . ]" 1
474 1 39 ILE MD 1 45 TYR QD 3.620 . 3.620 2.541 1.989 3.563 . 0 0 "[ . 1 . ]" 1
475 1 39 ILE MD 1 45 TYR QE 5.450 . 5.450 4.111 3.276 5.246 . 0 0 "[ . 1 . ]" 1
476 1 39 ILE MD 1 46 VAL H 5.990 . 5.990 4.775 4.507 5.095 . 0 0 "[ . 1 . ]" 1
477 1 39 ILE MD 1 76 LEU MD2 3.760 . 3.760 2.099 1.649 2.482 . 0 0 "[ . 1 . ]" 1
478 1 39 ILE HG12 1 45 TYR QB 5.330 . 5.330 4.005 3.580 4.601 . 0 0 "[ . 1 . ]" 1
479 1 39 ILE HG13 1 45 TYR QB 5.160 . 5.160 2.913 1.966 3.837 . 0 0 "[ . 1 . ]" 1
480 1 39 ILE MG 1 40 PRO HD2 5.060 . 5.060 2.955 2.709 3.238 . 0 0 "[ . 1 . ]" 1
481 1 39 ILE MG 1 40 PRO QD 4.240 . 4.240 2.841 2.663 3.033 . 0 0 "[ . 1 . ]" 1
482 1 39 ILE MG 1 40 PRO HD3 5.060 . 5.060 3.781 3.370 4.104 . 0 0 "[ . 1 . ]" 1
483 1 39 ILE MG 1 43 TYR H 5.060 . 5.060 3.832 3.433 4.147 . 0 0 "[ . 1 . ]" 1
484 1 39 ILE MG 1 43 TYR HB2 4.780 . 4.780 3.105 2.398 3.532 . 0 0 "[ . 1 . ]" 1
485 1 39 ILE MG 1 44 GLU HA 4.550 . 4.550 2.959 2.255 3.382 . 0 0 "[ . 1 . ]" 1
486 1 39 ILE MG 1 45 TYR H 5.000 . 5.000 3.183 2.687 3.764 . 0 0 "[ . 1 . ]" 1
487 1 39 ILE MG 1 45 TYR QB 5.160 . 5.160 3.421 2.600 4.422 . 0 0 "[ . 1 . ]" 1
488 1 39 ILE MG 1 76 LEU MD1 5.300 . 5.300 3.537 2.475 4.344 . 0 0 "[ . 1 . ]" 1
489 1 40 PRO HA 1 41 ASP H 3.230 . 3.230 2.331 2.206 2.504 . 0 0 "[ . 1 . ]" 1
490 1 40 PRO QB 1 41 ASP H 4.200 . 4.200 2.832 2.472 3.259 . 0 0 "[ . 1 . ]" 1
491 1 40 PRO QB 1 43 TYR QD 3.720 . 3.720 2.630 2.102 3.440 . 0 0 "[ . 1 . ]" 1
492 1 40 PRO QB 1 43 TYR QE 4.480 . 4.480 3.392 2.906 4.008 . 0 0 "[ . 1 . ]" 1
493 1 40 PRO HB2 1 41 ASP H 4.780 . 4.780 3.089 2.534 3.848 . 0 0 "[ . 1 . ]" 1
494 1 40 PRO HB3 1 41 ASP H 4.780 . 4.780 3.411 2.865 3.868 . 0 0 "[ . 1 . ]" 1
495 1 40 PRO QD 1 43 TYR QD 4.830 . 4.830 3.742 3.272 4.124 . 0 0 "[ . 1 . ]" 1
496 1 40 PRO QD 1 76 LEU MD1 4.590 . 4.590 2.201 1.814 2.851 . 0 0 "[ . 1 . ]" 1
497 1 40 PRO QD 1 76 LEU MD2 4.960 . 4.960 3.313 3.024 3.808 . 0 0 "[ . 1 . ]" 1
498 1 40 PRO HD2 1 76 LEU MD1 5.300 . 5.300 2.308 1.841 2.986 . 0 0 "[ . 1 . ]" 1
499 1 40 PRO HD3 1 76 LEU MD1 5.300 . 5.300 2.898 2.285 3.637 . 0 0 "[ . 1 . ]" 1
500 1 40 PRO QG 1 43 TYR QD 4.170 . 4.170 3.062 2.054 4.032 . 0 0 "[ . 1 . ]" 1
501 1 40 PRO HG2 1 76 LEU MD1 5.410 . 5.410 3.042 2.657 3.945 . 0 0 "[ . 1 . ]" 1
502 1 40 PRO HG3 1 76 LEU MD1 5.410 . 5.410 3.563 3.114 4.325 . 0 0 "[ . 1 . ]" 1
503 1 41 ASP H 1 41 ASP HB2 4.180 . 4.180 2.652 2.392 3.641 . 0 0 "[ . 1 . ]" 1
504 1 41 ASP H 1 41 ASP HB3 4.180 . 4.180 3.290 2.523 3.629 . 0 0 "[ . 1 . ]" 1
505 1 41 ASP H 1 43 TYR H 5.910 . 5.910 4.679 4.489 4.863 . 0 0 "[ . 1 . ]" 1
506 1 41 ASP HA 1 42 GLY H 3.500 . 3.500 2.186 2.159 2.246 . 0 0 "[ . 1 . ]" 1
507 1 41 ASP HA 1 43 TYR H 4.860 . 4.860 3.499 3.166 3.825 . 0 0 "[ . 1 . ]" 1
508 1 41 ASP HB2 1 42 GLY H 5.650 . 5.650 4.147 3.017 4.504 . 0 0 "[ . 1 . ]" 1
509 1 41 ASP HB3 1 42 GLY H 5.650 . 5.650 3.674 3.007 4.228 . 0 0 "[ . 1 . ]" 1
510 1 42 GLY H 1 43 TYR H 4.160 . 4.160 2.580 2.346 2.853 . 0 0 "[ . 1 . ]" 1
511 1 43 TYR H 1 43 TYR HB2 3.990 . 3.990 2.590 2.472 2.763 . 0 0 "[ . 1 . ]" 1
512 1 43 TYR H 1 43 TYR QD 4.110 . 4.110 2.525 2.307 2.760 . 0 0 "[ . 1 . ]" 1
513 1 43 TYR H 1 79 GLY H 6.620 . 6.620 4.874 4.202 5.574 . 0 0 "[ . 1 . ]" 1
514 1 43 TYR HA 1 43 TYR QD 4.410 . 4.410 3.172 2.880 3.255 . 0 0 "[ . 1 . ]" 1
515 1 43 TYR HA 1 79 GLY H 4.000 . 4.000 3.334 2.295 4.029 0.029 5 0 "[ . 1 . ]" 1
516 1 43 TYR HB2 1 44 GLU H 5.380 . 5.380 3.900 3.511 4.186 . 0 0 "[ . 1 . ]" 1
517 1 43 TYR HB3 1 44 GLU H 4.120 . 4.120 2.813 2.424 3.253 . 0 0 "[ . 1 . ]" 1
518 1 43 TYR HB3 1 76 LEU HB2 5.500 . 5.500 3.604 3.073 4.310 . 0 0 "[ . 1 . ]" 1
519 1 43 TYR HB3 1 76 LEU HB3 5.650 . 5.650 2.249 1.896 2.903 . 0 0 "[ . 1 . ]" 1
520 1 43 TYR HB3 1 76 LEU MD1 5.060 . 5.060 2.633 2.198 3.264 . 0 0 "[ . 1 . ]" 1
521 1 43 TYR HB3 1 76 LEU MD2 4.820 . 4.820 3.211 2.711 3.615 . 0 0 "[ . 1 . ]" 1
522 1 43 TYR HB3 1 77 LYS H 5.420 . 5.420 4.009 3.486 4.543 . 0 0 "[ . 1 . ]" 1
523 1 43 TYR HB3 1 78 HIS HD2 4.400 . 4.400 4.504 4.380 4.606 0.206 2 0 "[ . 1 . ]" 1
524 1 43 TYR QD 1 44 GLU H 4.890 . 4.890 4.135 3.818 4.485 . 0 0 "[ . 1 . ]" 1
525 1 43 TYR QD 1 76 LEU HB2 4.040 . 4.040 3.015 2.434 3.700 . 0 0 "[ . 1 . ]" 1
526 1 43 TYR QD 1 76 LEU HB3 5.760 . 5.760 2.765 1.971 3.400 . 0 0 "[ . 1 . ]" 1
527 1 43 TYR QD 1 76 LEU MD1 4.300 . 4.300 3.183 2.511 3.788 . 0 0 "[ . 1 . ]" 1
528 1 43 TYR QD 1 77 LYS H 5.540 . 5.540 4.475 4.087 5.238 . 0 0 "[ . 1 . ]" 1
529 1 43 TYR QD 1 78 HIS HA 4.690 . 4.690 4.246 3.789 4.716 0.026 5 0 "[ . 1 . ]" 1
530 1 43 TYR QE 1 78 HIS HD2 4.070 . 4.070 3.189 2.700 3.632 . 0 0 "[ . 1 . ]" 1
531 1 44 GLU H 1 44 GLU QB 3.810 . 3.810 2.614 2.505 2.725 . 0 0 "[ . 1 . ]" 1
532 1 44 GLU H 1 44 GLU QG 4.860 . 4.860 3.119 2.507 4.401 . 0 0 "[ . 1 . ]" 1
533 1 44 GLU H 1 76 LEU HA 5.210 . 5.210 4.130 3.671 4.619 . 0 0 "[ . 1 . ]" 1
534 1 44 GLU H 1 76 LEU MD2 5.490 . 5.490 3.881 3.421 4.326 . 0 0 "[ . 1 . ]" 1
535 1 44 GLU H 1 77 LYS H 4.110 . 4.110 2.609 2.031 3.209 . 0 0 "[ . 1 . ]" 1
536 1 44 GLU H 1 77 LYS QG 5.590 . 5.590 3.858 2.752 5.137 . 0 0 "[ . 1 . ]" 1
537 1 44 GLU H 1 78 HIS HA 5.450 . 5.450 3.912 3.459 4.276 . 0 0 "[ . 1 . ]" 1
538 1 44 GLU H 1 79 GLY H 5.350 . 5.350 4.416 3.515 5.247 . 0 0 "[ . 1 . ]" 1
539 1 44 GLU HA 1 45 TYR H 3.490 . 3.490 2.250 2.164 2.384 . 0 0 "[ . 1 . ]" 1
540 1 44 GLU HA 1 76 LEU HB3 5.550 . 5.550 5.281 4.965 5.598 0.048 4 0 "[ . 1 . ]" 1
541 1 44 GLU QB 1 45 TYR H 4.650 . 4.650 3.161 2.728 3.638 . 0 0 "[ . 1 . ]" 1
542 1 44 GLU QB 1 77 LYS H 4.490 . 4.490 3.295 2.601 3.943 . 0 0 "[ . 1 . ]" 1
543 1 44 GLU QB 1 77 LYS QG 4.220 . 4.220 2.841 1.855 4.380 0.160 10 0 "[ . 1 . ]" 1
544 1 44 GLU HB2 1 45 TYR H 5.430 . 5.430 4.143 3.765 4.408 . 0 0 "[ . 1 . ]" 1
545 1 44 GLU HB3 1 45 TYR H 5.430 . 5.430 3.289 2.800 3.905 . 0 0 "[ . 1 . ]" 1
546 1 44 GLU QG 1 45 TYR H 5.270 . 5.270 4.284 3.029 4.914 . 0 0 "[ . 1 . ]" 1
547 1 44 GLU QG 1 79 GLY H 5.470 . 5.470 3.718 2.821 4.992 . 0 0 "[ . 1 . ]" 1
548 1 44 GLU QG 1 79 GLY HA2 4.940 . 4.940 3.526 2.755 4.942 0.002 8 0 "[ . 1 . ]" 1
549 1 44 GLU QG 1 79 GLY QA 4.300 . 4.300 2.954 1.893 4.069 . 0 0 "[ . 1 . ]" 1
550 1 44 GLU QG 1 79 GLY HA3 4.940 . 4.940 3.332 1.912 5.011 0.071 14 0 "[ . 1 . ]" 1
551 1 44 GLU QG 1 80 LEU H 5.650 . 5.650 4.932 3.815 5.597 . 0 0 "[ . 1 . ]" 1
552 1 45 TYR H 1 45 TYR HB2 3.870 . 3.870 2.595 2.480 2.721 . 0 0 "[ . 1 . ]" 1
553 1 45 TYR H 1 45 TYR QB 3.400 . 3.400 2.257 2.184 2.291 . 0 0 "[ . 1 . ]" 1
554 1 45 TYR H 1 45 TYR HB3 3.870 . 3.870 2.484 2.402 2.562 . 0 0 "[ . 1 . ]" 1
555 1 45 TYR H 1 45 TYR QD 4.980 . 4.980 4.255 4.212 4.279 . 0 0 "[ . 1 . ]" 1
556 1 45 TYR H 1 76 LEU MD2 5.500 . 5.500 3.643 3.397 4.047 . 0 0 "[ . 1 . ]" 1
557 1 45 TYR HA 1 45 TYR QD 3.900 . 3.900 2.658 2.531 2.793 . 0 0 "[ . 1 . ]" 1
558 1 45 TYR HA 1 45 TYR QE 5.310 . 5.310 4.642 4.556 4.747 . 0 0 "[ . 1 . ]" 1
559 1 45 TYR HA 1 46 VAL H 3.710 . 3.710 2.187 2.153 2.216 . 0 0 "[ . 1 . ]" 1
560 1 45 TYR HA 1 47 GLY H 5.000 . 5.000 4.190 3.778 4.488 . 0 0 "[ . 1 . ]" 1
561 1 45 TYR HA 1 76 LEU MD2 4.270 . 4.270 1.975 1.842 2.149 . 0 0 "[ . 1 . ]" 1
562 1 45 TYR QD 1 46 VAL H 4.850 . 4.850 3.554 3.244 4.006 . 0 0 "[ . 1 . ]" 1
563 1 45 TYR QD 1 74 ILE MD 5.940 . 5.940 4.569 3.824 5.817 . 0 0 "[ . 1 . ]" 1
564 1 45 TYR QD 1 74 ILE MG 3.660 . 3.660 2.690 2.412 3.012 . 0 0 "[ . 1 . ]" 1
565 1 45 TYR QD 1 76 LEU MD2 4.260 . 4.260 2.682 2.408 2.977 . 0 0 "[ . 1 . ]" 1
566 1 45 TYR QE 1 47 GLY QA 4.910 . 4.910 3.161 2.847 3.397 . 0 0 "[ . 1 . ]" 1
567 1 45 TYR QE 1 48 THR HG1 4.350 . 4.350 2.617 1.842 3.274 . 0 0 "[ . 1 . ]" 1
568 1 45 TYR QE 1 48 THR MG 5.090 . 5.090 4.527 3.985 5.070 . 0 0 "[ . 1 . ]" 1
569 1 45 TYR QE 1 74 ILE MD 4.850 . 4.850 3.331 1.925 4.898 0.048 14 0 "[ . 1 . ]" 1
570 1 45 TYR QE 1 74 ILE QG 6.580 . 6.580 4.227 3.291 5.028 . 0 0 "[ . 1 . ]" 1
571 1 45 TYR QE 1 74 ILE MG 4.280 . 4.280 2.193 1.865 2.834 . 0 0 "[ . 1 . ]" 1
572 1 45 TYR QE 1 76 LEU MD2 5.420 . 5.420 4.281 3.805 4.679 . 0 0 "[ . 1 . ]" 1
573 1 46 VAL H 1 46 VAL HB 4.240 . 4.240 2.585 2.510 2.644 . 0 0 "[ . 1 . ]" 1
574 1 46 VAL H 1 46 VAL MG2 4.260 . 4.260 2.432 2.204 2.654 . 0 0 "[ . 1 . ]" 1
575 1 46 VAL H 1 47 GLY H 3.730 . 3.730 2.409 2.257 2.504 . 0 0 "[ . 1 . ]" 1
576 1 46 VAL H 1 75 HIS QB 6.130 . 6.130 3.779 3.473 4.115 . 0 0 "[ . 1 . ]" 1
577 1 46 VAL H 1 76 LEU HA 4.670 . 4.670 2.806 2.527 3.240 . 0 0 "[ . 1 . ]" 1
578 1 46 VAL H 1 76 LEU MD2 4.960 . 4.960 2.849 2.666 2.999 . 0 0 "[ . 1 . ]" 1
579 1 46 VAL HA 1 76 LEU MD2 5.210 . 5.210 5.344 5.209 5.415 0.205 13 0 "[ . 1 . ]" 1
580 1 46 VAL HB 1 47 GLY H 4.010 . 4.010 2.349 2.161 2.622 . 0 0 "[ . 1 . ]" 1
581 1 46 VAL HB 1 75 HIS H 5.660 . 5.660 4.281 3.934 4.793 . 0 0 "[ . 1 . ]" 1
582 1 46 VAL HB 1 75 HIS HB2 5.020 . 5.020 2.468 2.045 2.997 . 0 0 "[ . 1 . ]" 1
583 1 46 VAL HB 1 75 HIS QB 4.420 . 4.420 2.210 1.958 2.542 . 0 0 "[ . 1 . ]" 1
584 1 46 VAL HB 1 75 HIS HB3 5.020 . 5.020 2.573 2.081 3.021 . 0 0 "[ . 1 . ]" 1
585 1 46 VAL MG1 1 47 GLY H 4.810 . 4.810 3.289 3.043 3.599 . 0 0 "[ . 1 . ]" 1
586 1 46 VAL MG1 1 75 HIS HB2 5.130 . 5.130 3.332 3.051 3.782 . 0 0 "[ . 1 . ]" 1
587 1 46 VAL MG1 1 75 HIS QB 4.500 . 4.500 2.911 2.643 3.212 . 0 0 "[ . 1 . ]" 1
588 1 46 VAL MG1 1 75 HIS HB3 5.130 . 5.130 3.226 2.843 3.597 . 0 0 "[ . 1 . ]" 1
589 1 46 VAL MG2 1 47 GLY H 4.820 . 4.820 3.724 3.612 3.853 . 0 0 "[ . 1 . ]" 1
590 1 46 VAL MG2 1 75 HIS QB 5.090 . 5.090 3.123 2.623 3.584 . 0 0 "[ . 1 . ]" 1
591 1 46 VAL MG2 1 76 LEU HA 4.890 . 4.890 2.393 2.261 2.604 . 0 0 "[ . 1 . ]" 1
592 1 46 VAL MG2 1 77 LYS H 4.440 . 4.440 2.651 2.146 3.248 . 0 0 "[ . 1 . ]" 1
593 1 46 VAL MG2 1 77 LYS HB2 5.230 . 5.230 3.472 2.043 3.876 . 0 0 "[ . 1 . ]" 1
594 1 46 VAL MG2 1 77 LYS HB3 5.230 . 5.230 2.958 2.178 4.372 . 0 0 "[ . 1 . ]" 1
595 1 46 VAL MG2 1 77 LYS QD 3.820 . 3.820 2.605 1.612 3.454 . 0 0 "[ . 1 . ]" 1
596 1 46 VAL MG2 1 77 LYS QG 4.610 . 4.610 2.301 1.735 3.768 . 0 0 "[ . 1 . ]" 1
597 1 47 GLY H 1 75 HIS H 4.510 . 4.510 3.226 2.879 3.595 . 0 0 "[ . 1 . ]" 1
598 1 47 GLY H 1 75 HIS HB2 4.960 . 4.960 2.564 1.963 3.286 . 0 0 "[ . 1 . ]" 1
599 1 47 GLY H 1 75 HIS QB 4.050 . 4.050 2.526 1.948 3.205 . 0 0 "[ . 1 . ]" 1
600 1 47 GLY H 1 75 HIS HB3 4.960 . 4.960 3.858 3.244 4.444 . 0 0 "[ . 1 . ]" 1
601 1 48 THR HA 1 49 ASP H 3.590 . 3.590 2.198 2.156 2.240 . 0 0 "[ . 1 . ]" 1
602 1 48 THR HA 1 49 ASP QB 4.760 . 4.760 4.198 3.882 4.480 . 0 0 "[ . 1 . ]" 1
603 1 48 THR HA 1 74 ILE HA 4.760 . 4.760 2.596 2.254 3.106 . 0 0 "[ . 1 . ]" 1
604 1 48 THR HA 1 74 ILE MD 6.520 . 6.520 3.823 2.627 5.346 . 0 0 "[ . 1 . ]" 1
605 1 48 THR HA 1 74 ILE QG 6.580 . 6.580 4.414 3.567 5.307 . 0 0 "[ . 1 . ]" 1
606 1 48 THR HA 1 74 ILE MG 5.970 . 5.970 4.025 3.603 4.779 . 0 0 "[ . 1 . ]" 1
607 1 48 THR HA 1 75 HIS H 4.810 . 4.810 3.268 2.621 3.876 . 0 0 "[ . 1 . ]" 1
608 1 48 THR HA 1 75 HIS HD2 4.990 . 4.990 3.150 2.772 3.926 . 0 0 "[ . 1 . ]" 1
609 1 48 THR HB 1 49 ASP H 5.850 . 5.850 4.154 4.016 4.246 . 0 0 "[ . 1 . ]" 1
610 1 48 THR HB 1 53 VAL HA 4.890 . 4.890 4.576 4.019 4.974 0.084 16 0 "[ . 1 . ]" 1
611 1 48 THR HB 1 53 VAL MG1 5.070 . 5.070 2.738 2.063 3.324 . 0 0 "[ . 1 . ]" 1
612 1 48 THR HB 1 53 VAL MG2 4.500 . 4.500 2.727 1.937 3.686 . 0 0 "[ . 1 . ]" 1
613 1 48 THR MG 1 49 ASP H 4.350 . 4.350 2.526 2.340 2.671 . 0 0 "[ . 1 . ]" 1
614 1 48 THR MG 1 53 VAL HB 5.230 . 5.230 2.690 2.175 4.786 . 0 0 "[ . 1 . ]" 1
615 1 48 THR MG 1 72 VAL MG1 3.710 . 3.710 1.978 1.667 2.313 . 0 0 "[ . 1 . ]" 1
616 1 48 THR MG 1 73 VAL H 5.500 . 5.500 3.567 2.412 4.263 . 0 0 "[ . 1 . ]" 1
617 1 48 THR MG 1 73 VAL HB 5.530 . 5.530 5.023 4.088 5.459 . 0 0 "[ . 1 . ]" 1
618 1 48 THR MG 1 74 ILE HA 5.050 . 5.050 3.540 2.889 4.098 . 0 0 "[ . 1 . ]" 1
619 1 48 THR MG 1 74 ILE MD 4.800 . 4.800 2.812 2.008 3.859 . 0 0 "[ . 1 . ]" 1
620 1 48 THR MG 1 75 HIS H 5.480 . 5.480 4.980 4.523 5.413 . 0 0 "[ . 1 . ]" 1
621 1 49 ASP H 1 73 VAL H 4.630 . 4.630 3.021 2.702 3.597 . 0 0 "[ . 1 . ]" 1
622 1 49 ASP H 1 73 VAL HB 5.070 . 5.070 3.462 2.544 3.950 . 0 0 "[ . 1 . ]" 1
623 1 49 ASP H 1 74 ILE HA 5.260 . 5.260 3.762 3.231 4.457 . 0 0 "[ . 1 . ]" 1
624 1 49 ASP H 1 75 HIS HD2 4.770 . 4.770 3.361 2.815 3.883 . 0 0 "[ . 1 . ]" 1
625 1 49 ASP HA 1 50 GLY H 3.410 . 3.410 2.304 2.196 2.385 . 0 0 "[ . 1 . ]" 1
626 1 49 ASP QB 1 73 VAL H 4.610 . 4.610 3.294 2.385 4.593 . 0 0 "[ . 1 . ]" 1
627 1 49 ASP QB 1 73 VAL HB 3.990 . 3.990 2.332 1.707 4.130 0.140 16 0 "[ . 1 . ]" 1
628 1 49 ASP QB 1 73 VAL MG1 5.500 . 5.500 3.598 3.094 4.934 . 0 0 "[ . 1 . ]" 1
629 1 49 ASP QB 1 73 VAL MG2 5.340 . 5.340 3.456 2.891 4.645 . 0 0 "[ . 1 . ]" 1
630 1 49 ASP QB 1 75 HIS HD2 4.680 . 4.680 3.463 2.060 4.721 0.041 16 0 "[ . 1 . ]" 1
631 1 49 ASP HB2 1 73 VAL H 5.300 . 5.300 4.177 2.413 5.075 . 0 0 "[ . 1 . ]" 1
632 1 49 ASP HB2 1 73 VAL HB 4.580 . 4.580 3.195 1.714 4.656 0.076 1 0 "[ . 1 . ]" 1
633 1 49 ASP HB3 1 73 VAL H 5.300 . 5.300 3.893 2.614 5.326 0.026 16 0 "[ . 1 . ]" 1
634 1 49 ASP HB3 1 73 VAL HB 4.580 . 4.580 2.992 1.834 4.620 0.040 16 0 "[ . 1 . ]" 1
635 1 50 GLY H 1 51 GLY H 5.290 . 5.290 4.006 3.715 4.668 . 0 0 "[ . 1 . ]" 1
636 1 51 GLY H 1 52 VAL MG2 6.030 . 6.030 5.405 4.894 5.685 . 0 0 "[ . 1 . ]" 1
637 1 51 GLY H 1 60 VAL QG 6.450 . 6.450 4.321 2.773 5.615 . 0 0 "[ . 1 . ]" 1
638 1 51 GLY H 1 72 VAL MG1 5.470 . 5.470 3.478 1.823 5.482 0.012 7 0 "[ . 1 . ]" 1
639 1 51 GLY H 1 72 VAL MG2 5.630 . 5.630 2.594 1.929 3.646 . 0 0 "[ . 1 . ]" 1
640 1 51 GLY QA 1 52 VAL MG2 4.120 . 4.120 3.314 3.120 3.408 . 0 0 "[ . 1 . ]" 1
641 1 51 GLY HA2 1 52 VAL MG2 4.750 . 4.750 3.448 3.203 3.597 . 0 0 "[ . 1 . ]" 1
642 1 51 GLY HA2 1 72 VAL MG2 5.210 . 5.210 3.315 2.987 4.101 . 0 0 "[ . 1 . ]" 1
643 1 51 GLY HA3 1 52 VAL MG2 4.750 . 4.750 4.313 4.115 4.747 . 0 0 "[ . 1 . ]" 1
644 1 51 GLY HA3 1 72 VAL MG2 5.210 . 5.210 2.220 1.620 3.070 . 0 0 "[ . 1 . ]" 1
645 1 52 VAL H 1 52 VAL HB 4.160 . 4.160 2.625 2.517 2.777 . 0 0 "[ . 1 . ]" 1
646 1 52 VAL H 1 52 VAL MG2 3.820 . 3.820 2.479 2.098 2.907 . 0 0 "[ . 1 . ]" 1
647 1 52 VAL H 1 61 THR H 4.380 . 4.380 3.888 3.065 4.428 0.048 1 0 "[ . 1 . ]" 1
648 1 52 VAL HA 1 53 VAL H 3.370 . 3.370 2.219 2.177 2.361 . 0 0 "[ . 1 . ]" 1
649 1 52 VAL HA 1 53 VAL MG1 6.170 . 6.170 3.973 3.657 5.590 . 0 0 "[ . 1 . ]" 1
650 1 52 VAL HB 1 61 THR H 4.990 . 4.990 3.481 2.743 3.985 . 0 0 "[ . 1 . ]" 1
651 1 52 VAL HB 1 61 THR HB 4.150 . 4.150 2.560 1.849 4.350 0.200 2 0 "[ . 1 . ]" 1
652 1 52 VAL MG1 1 53 VAL H 4.190 . 4.190 3.040 2.217 3.288 . 0 0 "[ . 1 . ]" 1
653 1 52 VAL MG1 1 54 SER H 5.450 . 5.450 4.899 4.589 5.129 . 0 0 "[ . 1 . ]" 1
654 1 52 VAL MG2 1 61 THR HB 5.620 . 5.620 3.850 2.867 5.337 . 0 0 "[ . 1 . ]" 1
655 1 53 VAL H 1 53 VAL HB 3.950 . 3.950 2.781 2.612 3.229 . 0 0 "[ . 1 . ]" 1
656 1 53 VAL H 1 53 VAL MG1 4.340 . 4.340 2.206 1.993 3.865 . 0 0 "[ . 1 . ]" 1
657 1 53 VAL H 1 53 VAL MG2 4.630 . 4.630 3.786 2.238 3.991 . 0 0 "[ . 1 . ]" 1
658 1 53 VAL HA 1 54 SER H 3.440 . 3.440 2.247 2.183 2.303 . 0 0 "[ . 1 . ]" 1
659 1 53 VAL HA 1 54 SER QB 4.650 . 4.650 4.214 4.084 4.532 . 0 0 "[ . 1 . ]" 1
660 1 53 VAL HB 1 54 SER H 5.550 . 5.550 4.065 3.938 4.135 . 0 0 "[ . 1 . ]" 1
661 1 53 VAL MG1 1 54 SER H 4.260 . 4.260 3.688 2.362 3.956 . 0 0 "[ . 1 . ]" 1
662 1 53 VAL MG1 1 54 SER HA 6.530 . 6.530 4.427 4.129 4.667 . 0 0 "[ . 1 . ]" 1
663 1 53 VAL MG1 1 57 GLY H 5.520 . 5.520 4.693 3.227 5.240 . 0 0 "[ . 1 . ]" 1
664 1 53 VAL MG1 1 57 GLY QA 4.470 . 4.470 3.821 1.997 4.209 . 0 0 "[ . 1 . ]" 1
665 1 53 VAL MG2 1 54 SER H 4.530 . 4.530 2.422 2.112 4.027 . 0 0 "[ . 1 . ]" 1
666 1 53 VAL MG2 1 57 GLY H 5.930 . 5.930 3.447 3.017 6.003 0.073 14 0 "[ . 1 . ]" 1
667 1 53 VAL MG2 1 57 GLY HA2 5.370 . 5.370 2.287 1.932 4.547 . 0 0 "[ . 1 . ]" 1
668 1 53 VAL MG2 1 57 GLY QA 4.480 . 4.480 2.254 1.912 4.332 . 0 0 "[ . 1 . ]" 1
669 1 53 VAL MG2 1 57 GLY HA3 5.370 . 5.370 3.532 3.061 5.451 0.081 14 0 "[ . 1 . ]" 1
670 1 53 VAL MG2 1 59 THR H 5.840 . 5.840 4.173 3.717 5.938 0.098 14 0 "[ . 1 . ]" 1
671 1 53 VAL MG2 1 60 VAL HB 5.490 . 5.490 4.139 2.103 5.089 . 0 0 "[ . 1 . ]" 1
672 1 53 VAL MG2 1 61 THR H 5.610 . 5.610 5.074 4.492 5.535 . 0 0 "[ . 1 . ]" 1
673 1 54 SER H 1 57 GLY H 5.110 . 5.110 4.111 3.831 4.274 . 0 0 "[ . 1 . ]" 1
674 1 54 SER H 1 59 THR H 5.010 . 5.010 3.770 3.098 4.360 . 0 0 "[ . 1 . ]" 1
675 1 54 SER QB 1 59 THR H 4.560 . 4.560 2.624 1.989 4.155 . 0 0 "[ . 1 . ]" 1
676 1 55 SER HA 1 57 GLY H 5.620 . 5.620 4.028 3.812 4.180 . 0 0 "[ . 1 . ]" 1
677 1 55 SER QB 1 56 ASP H 5.020 . 5.020 3.111 2.703 3.606 . 0 0 "[ . 1 . ]" 1
678 1 55 SER QB 1 57 GLY H 5.620 . 5.620 4.777 4.503 5.030 . 0 0 "[ . 1 . ]" 1
679 1 57 GLY H 1 58 LYS H 4.210 . 4.210 2.743 2.600 3.130 . 0 0 "[ . 1 . ]" 1
680 1 57 GLY H 1 58 LYS HA 6.290 . 6.290 5.360 5.224 5.508 . 0 0 "[ . 1 . ]" 1
681 1 58 LYS H 1 58 LYS QB 3.760 . 3.760 2.435 2.154 2.772 . 0 0 "[ . 1 . ]" 1
682 1 58 LYS H 1 58 LYS QD 5.380 . 5.380 4.249 3.679 4.820 . 0 0 "[ . 1 . ]" 1
683 1 58 LYS H 1 58 LYS HG2 5.290 . 5.290 3.306 1.932 4.651 . 0 0 "[ . 1 . ]" 1
684 1 58 LYS H 1 58 LYS HG3 5.290 . 5.290 3.357 2.204 4.609 . 0 0 "[ . 1 . ]" 1
685 1 58 LYS H 1 59 THR H 3.900 . 3.900 2.465 2.188 2.778 . 0 0 "[ . 1 . ]" 1
686 1 58 LYS HA 1 58 LYS QD 5.120 . 5.120 3.869 2.024 4.569 . 0 0 "[ . 1 . ]" 1
687 1 58 LYS QB 1 59 THR H 4.480 . 4.480 2.986 2.521 3.694 . 0 0 "[ . 1 . ]" 1
688 1 58 LYS QB 1 59 THR MG 4.290 . 4.290 3.038 2.619 3.980 . 0 0 "[ . 1 . ]" 1
689 1 58 LYS QG 1 59 THR H 5.630 . 5.630 3.646 2.304 4.375 . 0 0 "[ . 1 . ]" 1
690 1 59 THR H 1 59 THR MG 4.640 . 4.640 3.002 2.532 3.417 . 0 0 "[ . 1 . ]" 1
691 1 59 THR H 1 60 VAL H 5.740 . 5.740 4.435 4.364 4.519 . 0 0 "[ . 1 . ]" 1
692 1 59 THR HA 1 60 VAL H 3.580 . 3.580 2.291 2.143 2.470 . 0 0 "[ . 1 . ]" 1
693 1 59 THR HA 1 60 VAL QG 5.670 . 5.670 3.497 3.222 3.753 . 0 0 "[ . 1 . ]" 1
694 1 59 THR HB 1 60 VAL H 4.210 . 4.210 2.854 2.385 3.702 . 0 0 "[ . 1 . ]" 1
695 1 59 THR MG 1 60 VAL H 4.440 . 4.440 3.753 3.282 4.087 . 0 0 "[ . 1 . ]" 1
696 1 60 VAL H 1 60 VAL MG1 4.700 . 4.700 3.333 2.152 3.964 . 0 0 "[ . 1 . ]" 1
697 1 60 VAL H 1 60 VAL QG 4.030 . 4.030 2.519 2.142 2.938 . 0 0 "[ . 1 . ]" 1
698 1 60 VAL H 1 60 VAL MG2 4.700 . 4.700 2.983 2.217 4.016 . 0 0 "[ . 1 . ]" 1
699 1 60 VAL HA 1 61 THR H 3.440 . 3.440 2.203 2.153 2.256 . 0 0 "[ . 1 . ]" 1
700 1 60 VAL HB 1 62 ILE MD 5.660 . 5.660 3.762 2.685 5.702 0.042 10 0 "[ . 1 . ]" 1
701 1 60 VAL QG 1 61 THR H 4.270 . 4.270 3.051 2.698 3.704 . 0 0 "[ . 1 . ]" 1
702 1 60 VAL MG1 1 61 THR H 5.000 . 5.000 3.506 2.733 4.258 . 0 0 "[ . 1 . ]" 1
703 1 60 VAL MG2 1 61 THR H 5.000 . 5.000 3.876 2.736 4.325 . 0 0 "[ . 1 . ]" 1
704 1 61 THR H 1 61 THR HB 4.020 . 4.020 2.726 2.497 3.717 . 0 0 "[ . 1 . ]" 1
705 1 61 THR HA 1 62 ILE H 3.530 . 3.530 2.151 2.104 2.188 . 0 0 "[ . 1 . ]" 1
706 1 61 THR HA 1 62 ILE HB 6.210 . 6.210 4.707 4.438 4.955 . 0 0 "[ . 1 . ]" 1
707 1 61 THR HA 1 62 ILE MD 5.970 . 5.970 4.778 3.019 5.214 . 0 0 "[ . 1 . ]" 1
708 1 62 ILE H 1 62 ILE HB 3.950 . 3.950 2.623 2.414 2.784 . 0 0 "[ . 1 . ]" 1
709 1 62 ILE H 1 62 ILE MD 5.420 . 5.420 3.585 1.880 3.910 . 0 0 "[ . 1 . ]" 1
710 1 62 ILE H 1 62 ILE HG12 5.550 . 5.550 3.418 2.265 4.088 . 0 0 "[ . 1 . ]" 1
711 1 62 ILE H 1 62 ILE QG 4.790 . 4.790 2.414 2.089 3.065 . 0 0 "[ . 1 . ]" 1
712 1 62 ILE H 1 62 ILE HG13 5.550 . 5.550 2.714 2.109 4.208 . 0 0 "[ . 1 . ]" 1
713 1 62 ILE HA 1 63 THR H 3.430 . 3.430 2.239 2.175 2.353 . 0 0 "[ . 1 . ]" 1
714 1 62 ILE MD 1 62 ILE MG 3.710 . 3.710 2.115 2.000 3.189 . 0 0 "[ . 1 . ]" 1
715 1 62 ILE MD 1 72 VAL HB 5.660 . 5.660 3.276 2.398 4.470 . 0 0 "[ . 1 . ]" 1
716 1 62 ILE QG 1 63 THR H 5.280 . 5.280 4.511 4.192 4.969 . 0 0 "[ . 1 . ]" 1
717 1 62 ILE QG 1 72 VAL MG2 4.150 . 4.150 2.273 1.705 3.808 . 0 0 "[ . 1 . ]" 1
718 1 62 ILE HG12 1 72 VAL MG2 4.800 . 4.800 2.399 1.711 4.360 . 0 0 "[ . 1 . ]" 1
719 1 62 ILE HG13 1 72 VAL MG2 4.800 . 4.800 3.456 2.190 4.385 . 0 0 "[ . 1 . ]" 1
720 1 62 ILE MG 1 63 THR H 4.320 . 4.320 2.910 2.414 3.342 . 0 0 "[ . 1 . ]" 1
721 1 62 ILE MG 1 63 THR HA 5.740 . 5.740 3.838 3.257 4.148 . 0 0 "[ . 1 . ]" 1
722 1 62 ILE MG 1 64 PHE QD 6.240 . 6.240 4.111 3.012 4.910 . 0 0 "[ . 1 . ]" 1
723 1 62 ILE MG 1 64 PHE QE 5.370 . 5.370 4.066 3.156 5.020 . 0 0 "[ . 1 . ]" 1
724 1 62 ILE MG 1 70 ASP HA 5.730 . 5.730 4.012 2.817 5.176 . 0 0 "[ . 1 . ]" 1
725 1 62 ILE MG 1 70 ASP HB2 5.260 . 5.260 3.638 2.198 4.392 . 0 0 "[ . 1 . ]" 1
726 1 62 ILE MG 1 70 ASP QB 4.350 . 4.350 3.187 2.151 4.221 . 0 0 "[ . 1 . ]" 1
727 1 62 ILE MG 1 70 ASP HB3 5.260 . 5.260 4.045 2.172 5.465 0.205 13 0 "[ . 1 . ]" 1
728 1 62 ILE MG 1 72 VAL MG2 4.550 . 4.550 2.586 1.918 4.319 . 0 0 "[ . 1 . ]" 1
729 1 63 THR H 1 63 THR HB 4.090 . 4.090 2.856 2.613 3.797 . 0 0 "[ . 1 . ]" 1
730 1 63 THR HB 1 64 PHE H 5.180 . 5.180 4.027 3.491 4.280 . 0 0 "[ . 1 . ]" 1
731 1 63 THR MG 1 64 PHE H 4.460 . 4.460 2.709 2.233 3.906 . 0 0 "[ . 1 . ]" 1
732 1 64 PHE H 1 64 PHE QD 4.470 . 4.470 2.345 2.060 2.595 . 0 0 "[ . 1 . ]" 1
733 1 64 PHE HA 1 64 PHE QD 4.400 . 4.400 2.900 2.734 3.058 . 0 0 "[ . 1 . ]" 1
734 1 64 PHE HA 1 65 ALA H 3.620 . 3.620 2.249 2.168 2.379 . 0 0 "[ . 1 . ]" 1
735 1 64 PHE HA 1 70 ASP QB 5.100 . 5.100 3.173 1.803 4.198 . 0 0 "[ . 1 . ]" 1
736 1 64 PHE HB3 1 65 ALA H 5.150 . 5.150 3.158 2.792 3.665 . 0 0 "[ . 1 . ]" 1
737 1 64 PHE QD 1 65 ALA H 5.630 . 5.630 4.258 3.919 4.809 . 0 0 "[ . 1 . ]" 1
738 1 65 ALA H 1 70 ASP HB2 5.320 . 5.320 3.656 2.833 4.780 . 0 0 "[ . 1 . ]" 1
739 1 65 ALA H 1 70 ASP QB 4.480 . 4.480 3.056 2.110 4.053 . 0 0 "[ . 1 . ]" 1
740 1 65 ALA H 1 70 ASP HB3 5.320 . 5.320 3.506 2.129 5.023 . 0 0 "[ . 1 . ]" 1
741 1 65 ALA HA 1 66 ALA H 3.740 . 3.740 2.242 2.144 2.353 . 0 0 "[ . 1 . ]" 1
742 1 65 ALA HA 1 66 ALA MB 5.330 . 5.330 4.072 3.987 4.146 . 0 0 "[ . 1 . ]" 1
743 1 65 ALA MB 1 66 ALA H 4.390 . 4.390 2.853 2.649 3.315 . 0 0 "[ . 1 . ]" 1
744 1 65 ALA MB 1 66 ALA HA 5.830 . 5.830 4.394 4.224 4.611 . 0 0 "[ . 1 . ]" 1
745 1 65 ALA MB 1 67 ASP H 3.920 . 3.920 2.447 1.939 2.832 . 0 0 "[ . 1 . ]" 1
746 1 65 ALA MB 1 67 ASP QB 5.380 . 5.380 3.011 2.298 4.371 . 0 0 "[ . 1 . ]" 1
747 1 65 ALA MB 1 69 SER H 5.060 . 5.060 3.335 2.228 4.108 . 0 0 "[ . 1 . ]" 1
748 1 65 ALA MB 1 70 ASP H 4.570 . 4.570 3.396 2.287 4.496 . 0 0 "[ . 1 . ]" 1
749 1 65 ALA MB 1 70 ASP HA 6.240 . 6.240 4.216 2.718 5.944 . 0 0 "[ . 1 . ]" 1
750 1 65 ALA MB 1 70 ASP QB 4.460 . 4.460 2.893 2.026 4.136 . 0 0 "[ . 1 . ]" 1
751 1 66 ALA H 1 67 ASP H 4.380 . 4.380 2.679 2.446 3.212 . 0 0 "[ . 1 . ]" 1
752 1 66 ALA MB 1 67 ASP H 4.340 . 4.340 3.125 2.749 3.725 . 0 0 "[ . 1 . ]" 1
753 1 67 ASP H 1 68 ASP H 5.420 . 5.420 4.016 2.514 4.574 . 0 0 "[ . 1 . ]" 1
754 1 67 ASP H 1 69 SER H 5.880 . 5.880 4.384 3.319 5.249 . 0 0 "[ . 1 . ]" 1
755 1 67 ASP QB 1 68 ASP H 3.720 . 3.720 2.762 1.941 3.921 0.201 11 0 "[ . 1 . ]" 1
756 1 67 ASP QB 1 69 SER H 5.500 . 5.500 3.461 2.185 4.852 . 0 0 "[ . 1 . ]" 1
757 1 67 ASP HB2 1 68 ASP H 4.450 . 4.450 3.494 1.992 4.496 0.046 15 0 "[ . 1 . ]" 1
758 1 67 ASP HB3 1 68 ASP H 4.450 . 4.450 3.168 1.972 4.450 . 0 0 "[ . 1 . ]" 1
759 1 68 ASP H 1 69 SER H 4.880 . 4.880 3.029 2.266 4.172 . 0 0 "[ . 1 . ]" 1
760 1 68 ASP HA 1 71 ASN H 5.340 . 5.340 4.057 2.764 5.664 0.324 1 0 "[ . 1 . ]" 1
761 1 68 ASP HA 1 71 ASN QD 5.470 . 5.470 3.267 1.948 5.482 0.012 15 0 "[ . 1 . ]" 1
762 1 68 ASP QB 1 71 ASN QD 4.450 . 4.450 3.071 1.643 4.467 0.017 4 0 "[ . 1 . ]" 1
763 1 69 SER H 1 70 ASP H 4.360 . 4.360 2.554 1.727 3.806 . 0 0 "[ . 1 . ]" 1
764 1 69 SER HA 1 71 ASN H 5.670 . 5.670 4.134 3.571 5.396 . 0 0 "[ . 1 . ]" 1
765 1 70 ASP H 1 71 ASN H 3.650 . 3.650 2.566 2.121 3.958 0.308 1 0 "[ . 1 . ]" 1
766 1 71 ASN H 1 71 ASN QB 3.640 . 3.640 2.542 2.258 2.820 . 0 0 "[ . 1 . ]" 1
767 1 71 ASN H 1 71 ASN QD 5.280 . 5.280 2.762 1.867 4.504 . 0 0 "[ . 1 . ]" 1
768 1 71 ASN H 1 72 VAL H 5.580 . 5.580 4.449 4.224 4.633 . 0 0 "[ . 1 . ]" 1
769 1 71 ASN HA 1 72 VAL H 3.650 . 3.650 2.172 2.098 2.261 . 0 0 "[ . 1 . ]" 1
770 1 71 ASN QB 1 72 VAL H 4.550 . 4.550 3.401 2.944 3.814 . 0 0 "[ . 1 . ]" 1
771 1 72 VAL H 1 72 VAL HB 4.090 . 4.090 2.490 2.333 2.681 . 0 0 "[ . 1 . ]" 1
772 1 72 VAL H 1 72 VAL MG2 4.000 . 4.000 2.525 2.308 2.808 . 0 0 "[ . 1 . ]" 1
773 1 72 VAL HA 1 74 ILE MD 6.350 . 6.350 5.253 4.553 6.358 0.008 13 0 "[ . 1 . ]" 1
774 1 72 VAL MG1 1 73 VAL H 4.160 . 4.160 2.944 2.603 3.056 . 0 0 "[ . 1 . ]" 1
775 1 72 VAL MG1 1 74 ILE H 5.610 . 5.610 3.772 3.335 4.119 . 0 0 "[ . 1 . ]" 1
776 1 72 VAL MG1 1 74 ILE QG 4.290 . 4.290 2.669 1.972 3.237 . 0 0 "[ . 1 . ]" 1
777 1 72 VAL MG1 1 74 ILE MG 4.710 . 4.710 4.586 4.215 4.814 0.104 14 0 "[ . 1 . ]" 1
778 1 73 VAL H 1 73 VAL HB 4.300 . 4.300 2.639 2.567 2.739 . 0 0 "[ . 1 . ]" 1
779 1 73 VAL H 1 73 VAL MG2 4.670 . 4.670 2.586 2.222 2.931 . 0 0 "[ . 1 . ]" 1
780 1 73 VAL HA 1 74 ILE H 3.510 . 3.510 2.190 2.152 2.245 . 0 0 "[ . 1 . ]" 1
781 1 73 VAL HA 1 74 ILE MD 6.560 . 6.560 4.661 3.034 5.424 . 0 0 "[ . 1 . ]" 1
782 1 73 VAL HB 1 74 ILE H 5.600 . 5.600 4.405 4.323 4.489 . 0 0 "[ . 1 . ]" 1
783 1 73 VAL MG1 1 74 ILE H 4.450 . 4.450 3.178 2.937 3.357 . 0 0 "[ . 1 . ]" 1
784 1 73 VAL MG1 1 74 ILE MG 5.280 . 5.280 5.146 4.977 5.300 0.020 11 0 "[ . 1 . ]" 1
785 1 73 VAL MG1 1 75 HIS H 6.390 . 6.390 4.378 3.901 4.869 . 0 0 "[ . 1 . ]" 1
786 1 73 VAL MG1 1 75 HIS HD2 4.890 . 4.890 3.226 2.740 3.640 . 0 0 "[ . 1 . ]" 1
787 1 73 VAL MG2 1 74 ILE H 4.910 . 4.910 4.284 4.148 4.433 . 0 0 "[ . 1 . ]" 1
788 1 74 ILE H 1 74 ILE HB 4.190 . 4.190 2.574 2.484 2.657 . 0 0 "[ . 1 . ]" 1
789 1 74 ILE H 1 74 ILE MD 5.710 . 5.710 3.436 2.000 3.906 . 0 0 "[ . 1 . ]" 1
790 1 74 ILE H 1 74 ILE QG 4.220 . 4.220 2.440 2.224 3.360 . 0 0 "[ . 1 . ]" 1
791 1 74 ILE MD 1 74 ILE MG 3.520 . 3.520 2.157 1.999 3.258 . 0 0 "[ . 1 . ]" 1
792 1 74 ILE MG 1 75 HIS H 4.400 . 4.400 2.819 2.354 3.131 . 0 0 "[ . 1 . ]" 1
793 1 74 ILE MG 1 76 LEU MD1 5.110 . 5.110 3.319 2.963 3.868 . 0 0 "[ . 1 . ]" 1
794 1 74 ILE MG 1 76 LEU HG 5.250 . 5.250 2.734 2.311 3.191 . 0 0 "[ . 1 . ]" 1
795 1 75 HIS H 1 75 HIS QB 3.810 . 3.810 2.413 2.292 2.568 . 0 0 "[ . 1 . ]" 1
796 1 75 HIS H 1 75 HIS HD2 4.560 . 4.560 2.792 2.395 3.033 . 0 0 "[ . 1 . ]" 1
797 1 75 HIS HA 1 76 LEU H 3.430 . 3.430 2.191 2.113 2.272 . 0 0 "[ . 1 . ]" 1
798 1 75 HIS QB 1 75 HIS HE1 4.760 . 4.760 4.412 4.367 4.447 . 0 0 "[ . 1 . ]" 1
799 1 76 LEU H 1 76 LEU HG 4.160 . 4.160 3.130 2.924 3.331 . 0 0 "[ . 1 . ]" 1
800 1 76 LEU HA 1 76 LEU MD2 4.210 . 4.210 2.126 2.075 2.231 . 0 0 "[ . 1 . ]" 1
801 1 76 LEU HA 1 77 LYS H 3.590 . 3.590 2.314 2.179 2.479 . 0 0 "[ . 1 . ]" 1
802 1 76 LEU HB2 1 77 LYS H 5.270 . 5.270 3.902 3.527 4.148 . 0 0 "[ . 1 . ]" 1
803 1 76 LEU HB3 1 77 LYS H 4.760 . 4.760 2.861 2.355 3.260 . 0 0 "[ . 1 . ]" 1
804 1 76 LEU MD2 1 77 LYS H 4.830 . 4.830 3.645 3.466 3.920 . 0 0 "[ . 1 . ]" 1
805 1 77 LYS H 1 77 LYS HG2 5.040 . 5.040 2.993 2.000 4.594 . 0 0 "[ . 1 . ]" 1
806 1 77 LYS H 1 77 LYS QG 4.170 . 4.170 2.665 1.972 4.175 0.005 5 0 "[ . 1 . ]" 1
807 1 77 LYS H 1 77 LYS HG3 5.040 . 5.040 3.420 2.567 4.794 . 0 0 "[ . 1 . ]" 1
808 1 77 LYS HA 1 78 HIS H 3.730 . 3.730 2.425 2.237 2.520 . 0 0 "[ . 1 . ]" 1
809 1 77 LYS QB 1 78 HIS H 3.750 . 3.750 2.539 2.249 3.601 . 0 0 "[ . 1 . ]" 1
810 1 77 LYS HB2 1 78 HIS H 4.420 . 4.420 2.989 2.321 4.061 . 0 0 "[ . 1 . ]" 1
811 1 77 LYS HB3 1 78 HIS H 4.420 . 4.420 3.434 2.271 4.084 . 0 0 "[ . 1 . ]" 1
812 1 77 LYS QG 1 78 HIS H 5.330 . 5.330 3.555 2.414 4.204 . 0 0 "[ . 1 . ]" 1
813 1 78 HIS H 1 78 HIS QB 3.600 . 3.600 2.462 2.381 2.527 . 0 0 "[ . 1 . ]" 1
814 1 78 HIS H 1 78 HIS HD2 4.570 . 4.570 3.751 3.370 4.123 . 0 0 "[ . 1 . ]" 1
815 1 78 HIS H 1 79 GLY H 5.460 . 5.460 4.551 4.474 4.631 . 0 0 "[ . 1 . ]" 1
816 1 78 HIS HA 1 78 HIS HD2 4.280 . 4.280 2.460 2.367 2.552 . 0 0 "[ . 1 . ]" 1
817 1 78 HIS HA 1 79 GLY H 3.590 . 3.590 2.197 2.127 2.276 . 0 0 "[ . 1 . ]" 1
818 1 78 HIS QB 1 78 HIS HE1 4.880 . 4.880 4.348 4.327 4.374 . 0 0 "[ . 1 . ]" 1
819 1 78 HIS QB 1 79 GLY H 4.250 . 4.250 3.120 2.751 3.416 . 0 0 "[ . 1 . ]" 1
820 1 80 LEU H 1 80 LEU QB 3.450 . 3.450 2.552 2.151 3.364 . 0 0 "[ . 1 . ]" 1
821 1 80 LEU H 1 80 LEU HG 5.240 . 5.240 3.670 2.195 4.952 . 0 0 "[ . 1 . ]" 1
822 1 80 LEU HA 1 80 LEU QD 4.090 . 4.090 2.415 1.971 3.454 . 0 0 "[ . 1 . ]" 1
823 1 80 LEU QB 1 81 GLU H 4.650 . 4.650 3.610 2.305 4.018 . 0 0 "[ . 1 . ]" 1
824 1 80 LEU QB 1 81 GLU QB 5.590 . 5.590 5.069 4.060 5.602 0.012 15 0 "[ . 1 . ]" 1
825 1 80 LEU QD 1 81 GLU H 5.660 . 5.660 3.690 2.479 4.507 . 0 0 "[ . 1 . ]" 1
826 1 80 LEU MD1 1 81 GLU H 6.640 . 6.640 4.500 2.491 5.685 . 0 0 "[ . 1 . ]" 1
827 1 80 LEU MD2 1 81 GLU H 6.640 . 6.640 4.439 2.629 5.791 . 0 0 "[ . 1 . ]" 1
828 1 81 GLU H 1 81 GLU QB 3.780 . 3.780 2.445 2.179 2.871 . 0 0 "[ . 1 . ]" 1
829 1 81 GLU H 1 81 GLU HG2 5.710 . 5.710 3.751 2.114 5.259 . 0 0 "[ . 1 . ]" 1
830 1 81 GLU H 1 81 GLU QG 4.890 . 4.890 3.264 2.086 4.508 . 0 0 "[ . 1 . ]" 1
831 1 81 GLU H 1 81 GLU HG3 5.710 . 5.710 3.886 2.396 4.905 . 0 0 "[ . 1 . ]" 1
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