NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
626858 |
5oao   |
34151 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5oao
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 761
_Distance_constraint_stats_list.Viol_count 1158
_Distance_constraint_stats_list.Viol_total 1797.063
_Distance_constraint_stats_list.Viol_max 0.296
_Distance_constraint_stats_list.Viol_rms 0.0268
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0059
_Distance_constraint_stats_list.Viol_average_violations_only 0.0776
_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 9 MET 0.153 0.072 8 0 "[ . 1 . 2]"
1 13 THR 3.498 0.211 13 0 "[ . 1 . 2]"
1 14 LEU 0.857 0.113 17 0 "[ . 1 . 2]"
1 15 PHE 2.065 0.211 13 0 "[ . 1 . 2]"
1 16 ALA 1.704 0.199 3 0 "[ . 1 . 2]"
1 17 ALA 3.709 0.280 6 0 "[ . 1 . 2]"
1 18 ILE 17.761 0.287 2 0 "[ . 1 . 2]"
1 19 SER 0.086 0.067 2 0 "[ . 1 . 2]"
1 20 HIS 0.217 0.079 1 0 "[ . 1 . 2]"
1 21 LYS 9.001 0.252 4 0 "[ . 1 . 2]"
1 22 VAL 9.142 0.293 2 0 "[ . 1 . 2]"
1 23 ALA 0.330 0.127 5 0 "[ . 1 . 2]"
1 24 GLU 1.144 0.127 5 0 "[ . 1 . 2]"
1 25 ASN 2.021 0.124 11 0 "[ . 1 . 2]"
1 26 ASP 2.385 0.115 12 0 "[ . 1 . 2]"
1 27 MET 4.104 0.293 2 0 "[ . 1 . 2]"
1 28 LEU 5.850 0.242 2 0 "[ . 1 . 2]"
1 29 LEU 2.339 0.242 2 0 "[ . 1 . 2]"
1 30 ILE 8.122 0.230 17 0 "[ . 1 . 2]"
1 31 ASN 0.284 0.105 7 0 "[ . 1 . 2]"
1 32 ALA 0.312 0.145 3 0 "[ . 1 . 2]"
1 33 ASP 0.246 0.096 13 0 "[ . 1 . 2]"
1 34 TYR 0.131 0.046 20 0 "[ . 1 . 2]"
1 35 GLN 0.663 0.145 3 0 "[ . 1 . 2]"
1 36 GLN 6.970 0.295 6 0 "[ . 1 . 2]"
1 37 LEU 2.709 0.181 13 0 "[ . 1 . 2]"
1 38 ARG 1.000 0.295 6 0 "[ . 1 . 2]"
1 39 ASP 0.001 0.001 13 0 "[ . 1 . 2]"
1 40 LYS 2.195 0.211 13 0 "[ . 1 . 2]"
1 41 LYS 5.225 0.217 13 0 "[ . 1 . 2]"
1 42 MET 5.968 0.217 13 0 "[ . 1 . 2]"
1 43 THR 2.251 0.157 7 0 "[ . 1 . 2]"
1 44 ARG 0.398 0.208 19 0 "[ . 1 . 2]"
1 45 ALA 0.415 0.208 19 0 "[ . 1 . 2]"
1 46 GLU 1.161 0.157 7 0 "[ . 1 . 2]"
1 47 PHE 0.765 0.136 3 0 "[ . 1 . 2]"
1 48 VAL 1.627 0.114 14 0 "[ . 1 . 2]"
1 49 ARG 3.814 0.209 8 0 "[ . 1 . 2]"
1 50 LYS 6.666 0.209 8 0 "[ . 1 . 2]"
1 51 LEU 1.268 0.130 15 0 "[ . 1 . 2]"
1 52 ARG 0.480 0.130 15 0 "[ . 1 . 2]"
1 53 VAL 2.160 0.141 2 0 "[ . 1 . 2]"
1 54 ILE 13.202 0.230 17 0 "[ . 1 . 2]"
1 55 VAL 5.529 0.296 6 0 "[ . 1 . 2]"
1 56 GLY 0.013 0.011 20 0 "[ . 1 . 2]"
1 57 ASP 2.425 0.296 6 0 "[ . 1 . 2]"
1 58 ASP 1.762 0.252 8 0 "[ . 1 . 2]"
1 59 LEU 6.052 0.252 8 0 "[ . 1 . 2]"
1 60 LEU 3.955 0.184 13 0 "[ . 1 . 2]"
1 61 ARG 3.890 0.220 6 0 "[ . 1 . 2]"
1 62 SER 0.000 0.000 2 0 "[ . 1 . 2]"
1 63 THR 2.992 0.150 15 0 "[ . 1 . 2]"
1 64 ILE 4.888 0.138 11 0 "[ . 1 . 2]"
1 65 THR 3.252 0.138 11 0 "[ . 1 . 2]"
1 66 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 LEU 0.351 0.091 18 0 "[ . 1 . 2]"
1 68 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ASN 0.256 0.064 17 0 "[ . 1 . 2]"
1 70 GLN 3.237 0.252 1 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 MET ME 1 13 THR H 4.130 . 6.460 5.497 2.751 6.532 0.072 8 0 "[ . 1 . 2]" 1
2 1 13 THR H 1 13 THR HB 2.730 . 3.660 2.936 2.546 3.646 . 0 0 "[ . 1 . 2]" 1
3 1 13 THR H 1 13 THR MG 3.020 . 4.240 3.264 2.269 3.796 . 0 0 "[ . 1 . 2]" 1
4 1 13 THR HA 1 13 THR MG 2.560 . 3.330 2.284 2.239 2.319 . 0 0 "[ . 1 . 2]" 1
5 1 13 THR HA 1 15 PHE H 3.560 . 5.320 4.716 4.595 4.808 . 0 0 "[ . 1 . 2]" 1
6 1 13 THR HA 1 15 PHE QB 3.440 . 5.080 5.152 5.062 5.291 0.211 13 0 "[ . 1 . 2]" 1
7 1 13 THR HA 1 16 ALA H 3.050 . 4.300 3.445 3.308 3.597 . 0 0 "[ . 1 . 2]" 1
8 1 13 THR HA 1 16 ALA MB 2.780 . 3.760 2.648 2.439 2.777 . 0 0 "[ . 1 . 2]" 1
9 1 13 THR HA 1 70 GLN QG 4.000 . 6.200 6.293 6.233 6.398 0.198 12 0 "[ . 1 . 2]" 1
10 1 13 THR HB 1 14 LEU H 2.920 . 4.040 3.051 2.579 3.878 . 0 0 "[ . 1 . 2]" 1
11 1 13 THR HB 1 67 LEU QD 3.100 . 4.400 2.945 2.367 3.570 . 0 0 "[ . 1 . 2]" 1
12 1 13 THR MG 1 14 LEU H 3.100 . 4.410 3.707 3.497 4.042 . 0 0 "[ . 1 . 2]" 1
13 1 13 THR MG 1 67 LEU QD 2.740 . 3.680 2.609 2.018 3.710 0.030 14 0 "[ . 1 . 2]" 1
14 1 14 LEU H 1 14 LEU QB 2.850 . 3.360 2.326 2.202 2.407 . 0 0 "[ . 1 . 2]" 1
15 1 14 LEU H 1 15 PHE H 2.850 . 3.910 2.749 2.709 2.812 . 0 0 "[ . 1 . 2]" 1
16 1 14 LEU H 1 16 ALA H 3.320 . 4.840 4.164 4.021 4.307 . 0 0 "[ . 1 . 2]" 1
17 1 14 LEU H 1 67 LEU QD 3.080 . 4.370 3.779 3.282 4.284 . 0 0 "[ . 1 . 2]" 1
18 1 14 LEU HA 1 16 ALA H 3.330 . 4.870 4.553 4.454 4.719 . 0 0 "[ . 1 . 2]" 1
19 1 14 LEU HA 1 17 ALA H 2.940 . 4.080 3.380 3.283 3.469 . 0 0 "[ . 1 . 2]" 1
20 1 14 LEU HA 1 17 ALA MB 2.910 . 4.020 2.818 2.629 3.006 . 0 0 "[ . 1 . 2]" 1
21 1 14 LEU HA 1 67 LEU QD 2.560 . 3.330 2.985 2.097 3.421 0.091 18 0 "[ . 1 . 2]" 1
22 1 14 LEU QB 1 15 PHE H 3.010 . 3.580 2.401 2.303 2.506 . 0 0 "[ . 1 . 2]" 1
23 1 14 LEU QB 1 18 ILE MD 2.660 . 3.520 2.682 2.046 3.633 0.113 17 0 "[ . 1 . 2]" 1
24 1 14 LEU QB 1 63 THR MG 3.310 . 4.820 3.586 3.079 4.255 . 0 0 "[ . 1 . 2]" 1
25 1 14 LEU QB 1 67 LEU QD 3.450 . 5.100 3.555 2.409 4.114 . 0 0 "[ . 1 . 2]" 1
26 1 15 PHE H 1 16 ALA H 2.920 . 4.040 2.886 2.817 2.967 . 0 0 "[ . 1 . 2]" 1
27 1 15 PHE H 1 17 ALA H 3.320 . 4.840 4.228 4.108 4.310 . 0 0 "[ . 1 . 2]" 1
28 1 15 PHE H 1 18 ILE MD 3.280 . 4.760 3.884 3.682 4.934 0.174 9 0 "[ . 1 . 2]" 1
29 1 15 PHE HA 1 15 PHE QD 2.980 . 4.160 2.851 2.099 3.094 . 0 0 "[ . 1 . 2]" 1
30 1 15 PHE HA 1 16 ALA MB 3.650 . 5.500 5.108 5.096 5.123 . 0 0 "[ . 1 . 2]" 1
31 1 15 PHE HA 1 17 ALA MB 3.650 . 5.500 4.873 4.661 5.059 . 0 0 "[ . 1 . 2]" 1
32 1 15 PHE HA 1 18 ILE H 3.350 . 4.900 3.324 2.906 3.470 . 0 0 "[ . 1 . 2]" 1
33 1 15 PHE HA 1 18 ILE HB 3.090 . 4.380 2.727 2.594 2.935 . 0 0 "[ . 1 . 2]" 1
34 1 15 PHE HA 1 18 ILE MD 3.020 . 4.240 2.567 2.097 3.805 . 0 0 "[ . 1 . 2]" 1
35 1 15 PHE HA 1 18 ILE MG 3.500 . 5.200 4.200 3.983 4.432 . 0 0 "[ . 1 . 2]" 1
36 1 15 PHE HA 1 19 SER H 3.290 . 4.790 3.737 3.552 3.897 . 0 0 "[ . 1 . 2]" 1
37 1 15 PHE QB 1 16 ALA H 2.980 . 4.160 2.562 2.339 2.675 . 0 0 "[ . 1 . 2]" 1
38 1 15 PHE QB 1 16 ALA MB 3.130 . 4.460 3.920 3.848 4.003 . 0 0 "[ . 1 . 2]" 1
39 1 15 PHE QB 1 27 MET ME 2.810 . 3.820 2.909 2.366 3.961 0.141 15 0 "[ . 1 . 2]" 1
40 1 15 PHE QD 1 18 ILE MD 3.060 . 4.320 4.003 2.880 4.476 0.156 9 0 "[ . 1 . 2]" 1
41 1 15 PHE QD 1 27 MET ME 3.190 . 4.580 2.727 1.987 3.712 . 0 0 "[ . 1 . 2]" 1
42 1 16 ALA H 1 16 ALA MB 2.460 . 3.120 2.288 2.278 2.302 . 0 0 "[ . 1 . 2]" 1
43 1 16 ALA H 1 17 ALA H 2.750 . 3.700 2.813 2.785 2.850 . 0 0 "[ . 1 . 2]" 1
44 1 16 ALA HA 1 18 ILE HB 3.650 . 5.500 5.583 5.468 5.699 0.199 3 0 "[ . 1 . 2]" 1
45 1 16 ALA HA 1 19 SER H 2.790 . 3.770 3.373 3.251 3.548 . 0 0 "[ . 1 . 2]" 1
46 1 16 ALA MB 1 17 ALA H 2.570 . 3.340 2.669 2.634 2.702 . 0 0 "[ . 1 . 2]" 1
47 1 16 ALA MB 1 17 ALA HA 3.190 . 4.580 3.760 3.746 3.790 . 0 0 "[ . 1 . 2]" 1
48 1 16 ALA MB 1 19 SER H 3.370 . 4.940 4.586 4.488 4.720 . 0 0 "[ . 1 . 2]" 1
49 1 17 ALA H 1 17 ALA MB 2.630 . 3.460 2.284 2.263 2.297 . 0 0 "[ . 1 . 2]" 1
50 1 17 ALA H 1 18 ILE H 2.770 . 3.740 2.616 2.532 2.666 . 0 0 "[ . 1 . 2]" 1
51 1 17 ALA H 1 18 ILE MD 2.980 . 4.170 4.246 4.176 4.362 0.192 3 0 "[ . 1 . 2]" 1
52 1 17 ALA H 1 63 THR MG 3.190 . 4.590 4.162 3.982 4.353 . 0 0 "[ . 1 . 2]" 1
53 1 17 ALA HA 1 19 SER H 3.500 . 5.200 4.488 4.413 4.603 . 0 0 "[ . 1 . 2]" 1
54 1 17 ALA HA 1 63 THR MG 3.280 . 4.760 4.520 4.260 4.768 0.008 13 0 "[ . 1 . 2]" 1
55 1 17 ALA MB 1 18 ILE H 2.620 . 3.450 2.507 2.446 2.676 . 0 0 "[ . 1 . 2]" 1
56 1 17 ALA MB 1 18 ILE HA 2.870 . 3.930 3.735 3.679 3.779 . 0 0 "[ . 1 . 2]" 1
57 1 17 ALA MB 1 18 ILE HB 3.530 . 5.260 4.442 4.320 4.956 . 0 0 "[ . 1 . 2]" 1
58 1 17 ALA MB 1 18 ILE MD 2.490 . 3.180 3.262 2.627 3.460 0.280 6 0 "[ . 1 . 2]" 1
59 1 17 ALA MB 1 19 SER H 3.530 . 5.260 4.500 4.442 4.581 . 0 0 "[ . 1 . 2]" 1
60 1 17 ALA MB 1 63 THR HA 3.340 . 4.880 2.852 2.599 3.217 . 0 0 "[ . 1 . 2]" 1
61 1 17 ALA MB 1 63 THR MG 2.480 . 3.160 2.022 1.819 2.202 . 0 0 "[ . 1 . 2]" 1
62 1 17 ALA MB 1 64 ILE HA 5.000 . 8.200 5.874 5.427 6.052 . 0 0 "[ . 1 . 2]" 1
63 1 18 ILE H 1 18 ILE HB 2.990 . 4.180 2.402 2.307 2.758 . 0 0 "[ . 1 . 2]" 1
64 1 18 ILE H 1 18 ILE MD 3.000 . 4.200 2.791 2.608 3.002 . 0 0 "[ . 1 . 2]" 1
65 1 18 ILE H 1 18 ILE MG 2.900 . 4.000 3.752 3.719 3.804 . 0 0 "[ . 1 . 2]" 1
66 1 18 ILE H 1 19 SER H 2.830 . 3.860 2.591 2.531 2.636 . 0 0 "[ . 1 . 2]" 1
67 1 18 ILE H 1 63 THR MG 3.150 . 4.500 3.769 3.390 4.128 . 0 0 "[ . 1 . 2]" 1
68 1 18 ILE HA 1 18 ILE MD 2.940 . 4.080 3.682 2.273 3.846 . 0 0 "[ . 1 . 2]" 1
69 1 18 ILE HA 1 18 ILE MG 2.700 . 3.600 2.382 2.124 2.493 . 0 0 "[ . 1 . 2]" 1
70 1 18 ILE HA 1 22 VAL MG1 3.240 . 4.680 4.342 4.237 4.414 . 0 0 "[ . 1 . 2]" 1
71 1 18 ILE HA 1 27 MET ME 3.860 . 5.920 5.200 4.366 6.012 0.092 5 0 "[ . 1 . 2]" 1
72 1 18 ILE HA 1 63 THR MG 3.400 . 5.000 4.495 3.712 5.007 0.007 13 0 "[ . 1 . 2]" 1
73 1 18 ILE HB 1 18 ILE MD 2.710 . 3.620 2.112 1.996 3.284 . 0 0 "[ . 1 . 2]" 1
74 1 18 ILE HB 1 19 SER H 3.010 . 4.220 2.815 2.629 2.874 . 0 0 "[ . 1 . 2]" 1
75 1 18 ILE HB 1 22 VAL MG1 3.030 . 4.260 3.874 3.287 4.020 . 0 0 "[ . 1 . 2]" 1
76 1 18 ILE HB 1 63 THR MG 3.650 . 5.500 4.934 4.422 5.542 0.042 9 0 "[ . 1 . 2]" 1
77 1 18 ILE MD 1 18 ILE MG 2.540 . 3.280 2.761 2.283 2.936 . 0 0 "[ . 1 . 2]" 1
78 1 18 ILE MD 1 19 SER H 3.300 . 4.800 4.271 4.132 4.448 . 0 0 "[ . 1 . 2]" 1
79 1 18 ILE MD 1 55 VAL QG 2.590 . 3.380 2.656 1.943 3.282 . 0 0 "[ . 1 . 2]" 1
80 1 18 ILE MD 1 63 THR HA 3.650 . 5.500 5.511 4.403 5.650 0.150 15 0 "[ . 1 . 2]" 1
81 1 18 ILE MD 1 63 THR MG 2.520 . 3.240 2.604 2.263 2.814 . 0 0 "[ . 1 . 2]" 1
82 1 18 ILE MG 1 19 SER H 3.250 . 4.700 3.497 3.369 3.798 . 0 0 "[ . 1 . 2]" 1
83 1 18 ILE MG 1 19 SER HA 3.350 . 4.910 3.316 3.175 3.765 . 0 0 "[ . 1 . 2]" 1
84 1 18 ILE MG 1 21 LYS H 3.150 . 4.500 4.043 3.913 4.280 . 0 0 "[ . 1 . 2]" 1
85 1 18 ILE MG 1 21 LYS HB3 3.320 . 4.840 4.863 3.993 5.028 0.188 13 0 "[ . 1 . 2]" 1
86 1 18 ILE MG 1 22 VAL HA 3.650 . 5.500 4.200 4.068 4.501 . 0 0 "[ . 1 . 2]" 1
87 1 18 ILE MG 1 22 VAL MG1 2.350 . 2.900 2.058 1.891 2.277 . 0 0 "[ . 1 . 2]" 1
88 1 18 ILE MG 1 27 MET ME 3.400 . 5.000 2.866 2.055 3.918 . 0 0 "[ . 1 . 2]" 1
89 1 18 ILE MG 1 30 ILE MD 3.380 . 4.960 2.665 2.301 2.960 . 0 0 "[ . 1 . 2]" 1
90 1 18 ILE MG 1 54 ILE HB 3.450 . 5.100 4.786 4.634 4.992 . 0 0 "[ . 1 . 2]" 1
91 1 18 ILE MG 1 54 ILE MG 2.520 . 3.240 3.416 3.349 3.468 0.228 13 0 "[ . 1 . 2]" 1
92 1 18 ILE MG 1 55 VAL H 3.040 . 4.280 4.428 4.294 4.567 0.287 2 0 "[ . 1 . 2]" 1
93 1 18 ILE MG 1 55 VAL HA 2.570 . 3.340 3.339 2.924 3.492 0.152 1 0 "[ . 1 . 2]" 1
94 1 19 SER H 1 19 SER QB 2.690 . 3.580 2.384 2.285 2.527 . 0 0 "[ . 1 . 2]" 1
95 1 19 SER H 1 22 VAL MG1 3.480 . 5.160 3.742 3.661 3.888 . 0 0 "[ . 1 . 2]" 1
96 1 19 SER HA 1 22 VAL MG1 2.900 . 4.000 1.868 1.832 1.956 . 0 0 "[ . 1 . 2]" 1
97 1 19 SER HA 1 22 VAL MG2 3.380 . 4.960 4.503 4.384 4.707 . 0 0 "[ . 1 . 2]" 1
98 1 19 SER HA 1 27 MET ME 2.870 . 3.930 2.700 2.143 3.997 0.067 2 0 "[ . 1 . 2]" 1
99 1 19 SER HA 1 27 MET QG 3.400 . 4.330 3.134 2.542 3.898 . 0 0 "[ . 1 . 2]" 1
100 1 19 SER QB 1 22 VAL MG1 3.270 . 4.750 3.570 3.331 3.698 . 0 0 "[ . 1 . 2]" 1
101 1 19 SER QB 1 27 MET ME 2.960 . 4.120 2.727 2.095 3.571 . 0 0 "[ . 1 . 2]" 1
102 1 19 SER QB 1 27 MET QG 3.230 . 4.670 3.688 2.654 4.444 . 0 0 "[ . 1 . 2]" 1
103 1 20 HIS H 1 21 LYS HB2 3.740 . 5.680 4.979 4.758 5.296 . 0 0 "[ . 1 . 2]" 1
104 1 20 HIS H 1 22 VAL MG1 3.070 . 4.340 4.334 4.245 4.419 0.079 1 0 "[ . 1 . 2]" 1
105 1 21 LYS H 1 21 LYS HB2 2.910 . 4.020 2.499 2.363 2.893 . 0 0 "[ . 1 . 2]" 1
106 1 21 LYS H 1 21 LYS HB3 2.730 . 3.650 3.515 2.551 3.824 0.174 1 0 "[ . 1 . 2]" 1
107 1 21 LYS H 1 21 LYS QG 3.320 . 4.140 3.098 2.675 4.161 0.021 11 0 "[ . 1 . 2]" 1
108 1 21 LYS H 1 22 VAL H 2.540 . 3.270 2.799 2.049 3.027 . 0 0 "[ . 1 . 2]" 1
109 1 21 LYS H 1 22 VAL MG1 3.030 . 4.260 3.858 3.241 4.006 . 0 0 "[ . 1 . 2]" 1
110 1 21 LYS HB2 1 22 VAL H 2.930 . 4.060 4.231 3.952 4.312 0.252 4 0 "[ . 1 . 2]" 1
111 1 21 LYS HB2 1 59 LEU QD 3.120 . 3.890 2.669 2.023 3.669 . 0 0 "[ . 1 . 2]" 1
112 1 21 LYS HB3 1 22 VAL H 3.120 . 4.450 4.251 2.766 4.525 0.075 10 0 "[ . 1 . 2]" 1
113 1 21 LYS HB3 1 22 VAL HB 3.270 . 4.750 4.784 4.085 4.937 0.187 6 0 "[ . 1 . 2]" 1
114 1 21 LYS HB3 1 59 LEU QD 3.580 . 5.360 2.222 1.934 3.187 . 0 0 "[ . 1 . 2]" 1
115 1 22 VAL H 1 22 VAL HB 2.790 . 3.780 3.047 2.323 3.213 . 0 0 "[ . 1 . 2]" 1
116 1 22 VAL H 1 22 VAL MG1 2.630 . 3.460 2.329 2.242 2.477 . 0 0 "[ . 1 . 2]" 1
117 1 22 VAL H 1 22 VAL MG2 3.010 . 4.220 3.964 3.715 4.020 . 0 0 "[ . 1 . 2]" 1
118 1 22 VAL HA 1 22 VAL MG1 2.790 . 3.770 3.193 3.178 3.201 . 0 0 "[ . 1 . 2]" 1
119 1 22 VAL HA 1 22 VAL MG2 2.700 . 3.600 2.111 2.070 2.200 . 0 0 "[ . 1 . 2]" 1
120 1 22 VAL HA 1 23 ALA H 2.480 . 3.160 2.374 2.343 2.428 . 0 0 "[ . 1 . 2]" 1
121 1 22 VAL HA 1 23 ALA MB 3.060 . 4.320 4.133 4.082 4.173 . 0 0 "[ . 1 . 2]" 1
122 1 22 VAL HB 1 23 ALA H 3.210 . 4.620 4.098 4.044 4.138 . 0 0 "[ . 1 . 2]" 1
123 1 22 VAL HB 1 54 ILE MG 3.770 . 5.730 4.542 4.095 4.776 . 0 0 "[ . 1 . 2]" 1
124 1 22 VAL MG1 1 23 ALA H 2.790 . 3.780 3.317 3.148 3.472 . 0 0 "[ . 1 . 2]" 1
125 1 22 VAL MG1 1 23 ALA MB 3.190 . 4.590 4.176 3.995 4.288 . 0 0 "[ . 1 . 2]" 1
126 1 22 VAL MG1 1 24 GLU HA 3.590 . 5.380 3.807 3.747 3.860 . 0 0 "[ . 1 . 2]" 1
127 1 22 VAL MG1 1 26 ASP H 3.460 . 5.130 4.682 4.309 4.836 . 0 0 "[ . 1 . 2]" 1
128 1 22 VAL MG1 1 26 ASP QB 2.790 . 3.770 3.189 2.674 3.424 . 0 0 "[ . 1 . 2]" 1
129 1 22 VAL MG1 1 27 MET H 2.880 . 3.960 3.445 3.139 3.676 . 0 0 "[ . 1 . 2]" 1
130 1 22 VAL MG1 1 27 MET HA 3.280 . 4.760 3.780 3.196 4.083 . 0 0 "[ . 1 . 2]" 1
131 1 22 VAL MG1 1 27 MET QB 3.390 . 4.980 3.337 2.129 3.758 . 0 0 "[ . 1 . 2]" 1
132 1 22 VAL MG1 1 27 MET ME 2.790 . 3.770 2.626 2.040 3.571 . 0 0 "[ . 1 . 2]" 1
133 1 22 VAL MG1 1 27 MET QG 3.010 . 4.220 2.078 1.851 3.442 . 0 0 "[ . 1 . 2]" 1
134 1 22 VAL MG2 1 23 ALA H 2.720 . 3.640 2.020 1.796 2.126 0.004 12 0 "[ . 1 . 2]" 1
135 1 22 VAL MG2 1 23 ALA MB 3.080 . 4.370 3.327 3.224 3.436 . 0 0 "[ . 1 . 2]" 1
136 1 22 VAL MG2 1 24 GLU HA 3.500 . 5.200 5.040 4.896 5.326 0.126 11 0 "[ . 1 . 2]" 1
137 1 22 VAL MG2 1 26 ASP H 2.850 . 3.900 3.959 3.870 4.015 0.115 12 0 "[ . 1 . 2]" 1
138 1 22 VAL MG2 1 26 ASP QB 2.880 . 3.460 1.859 1.818 1.922 . 0 0 "[ . 1 . 2]" 1
139 1 22 VAL MG2 1 27 MET H 3.060 . 4.330 3.622 3.152 4.069 . 0 0 "[ . 1 . 2]" 1
140 1 22 VAL MG2 1 27 MET ME 3.650 . 5.500 4.208 3.446 5.291 . 0 0 "[ . 1 . 2]" 1
141 1 22 VAL MG2 1 27 MET QG 3.150 . 4.500 3.386 2.895 4.793 0.293 2 0 "[ . 1 . 2]" 1
142 1 22 VAL MG2 1 30 ILE HB 3.650 . 5.500 5.431 4.928 5.585 0.085 11 0 "[ . 1 . 2]" 1
143 1 22 VAL MG2 1 30 ILE MD 2.530 . 3.260 2.776 2.398 2.915 . 0 0 "[ . 1 . 2]" 1
144 1 22 VAL MG2 1 54 ILE MG 2.720 . 3.640 2.626 2.403 2.871 . 0 0 "[ . 1 . 2]" 1
145 1 23 ALA H 1 23 ALA MB 2.490 . 3.180 2.282 2.240 2.295 . 0 0 "[ . 1 . 2]" 1
146 1 23 ALA H 1 26 ASP QB 2.900 . 4.000 2.827 2.616 2.930 . 0 0 "[ . 1 . 2]" 1
147 1 23 ALA H 1 27 MET H 3.600 . 5.410 4.952 4.621 5.110 . 0 0 "[ . 1 . 2]" 1
148 1 23 ALA HA 1 24 GLU H 2.640 . 3.480 2.346 2.309 2.402 . 0 0 "[ . 1 . 2]" 1
149 1 23 ALA HA 1 24 GLU HA 3.270 . 4.740 4.271 4.257 4.278 . 0 0 "[ . 1 . 2]" 1
150 1 23 ALA HA 1 24 GLU QB 3.170 . 4.550 4.366 4.203 4.600 0.050 2 0 "[ . 1 . 2]" 1
151 1 23 ALA MB 1 24 GLU H 2.850 . 3.890 2.657 2.573 2.707 . 0 0 "[ . 1 . 2]" 1
152 1 23 ALA MB 1 24 GLU HA 3.210 . 4.620 4.364 4.332 4.378 . 0 0 "[ . 1 . 2]" 1
153 1 23 ALA MB 1 24 GLU QB 3.090 . 4.380 4.073 3.961 4.507 0.127 5 0 "[ . 1 . 2]" 1
154 1 23 ALA MB 1 25 ASN H 3.500 . 5.200 2.616 2.476 2.741 . 0 0 "[ . 1 . 2]" 1
155 1 23 ALA MB 1 25 ASN QB 2.920 . 4.040 3.144 3.023 4.112 0.072 2 0 "[ . 1 . 2]" 1
156 1 23 ALA MB 1 26 ASP H 2.730 . 3.650 2.293 2.219 2.381 . 0 0 "[ . 1 . 2]" 1
157 1 23 ALA MB 1 26 ASP QB 3.190 . 4.590 2.730 2.552 2.937 . 0 0 "[ . 1 . 2]" 1
158 1 23 ALA MB 1 27 MET H 3.250 . 4.710 4.136 3.924 4.256 . 0 0 "[ . 1 . 2]" 1
159 1 24 GLU H 1 24 GLU QB 2.900 . 3.450 2.324 2.257 2.490 . 0 0 "[ . 1 . 2]" 1
160 1 24 GLU H 1 24 GLU QG 3.110 . 4.420 3.305 2.217 4.009 . 0 0 "[ . 1 . 2]" 1
161 1 24 GLU HA 1 24 GLU QG 2.720 . 3.640 2.498 2.322 3.403 . 0 0 "[ . 1 . 2]" 1
162 1 24 GLU HA 1 26 ASP H 3.100 . 4.410 4.361 4.291 4.421 0.011 2 0 "[ . 1 . 2]" 1
163 1 24 GLU HA 1 26 ASP QB 3.570 . 5.340 4.869 4.752 5.031 . 0 0 "[ . 1 . 2]" 1
164 1 24 GLU HA 1 27 MET H 3.020 . 4.240 3.201 3.100 3.294 . 0 0 "[ . 1 . 2]" 1
165 1 24 GLU HA 1 27 MET QB 2.820 . 3.840 2.621 2.327 2.966 . 0 0 "[ . 1 . 2]" 1
166 1 24 GLU HA 1 27 MET QG 3.610 . 4.740 3.396 2.634 4.177 . 0 0 "[ . 1 . 2]" 1
167 1 24 GLU QB 1 26 ASP H 3.560 . 5.330 4.804 4.731 5.216 . 0 0 "[ . 1 . 2]" 1
168 1 24 GLU QG 1 27 MET QG 4.250 . 6.700 4.590 3.989 5.379 . 0 0 "[ . 1 . 2]" 1
169 1 24 GLU QG 1 28 LEU H 3.470 . 6.140 5.215 4.397 6.245 0.105 18 0 "[ . 1 . 2]" 1
170 1 25 ASN H 1 25 ASN QB 2.700 . 3.600 2.386 2.286 2.677 . 0 0 "[ . 1 . 2]" 1
171 1 25 ASN H 1 26 ASP H 3.050 . 4.300 2.543 2.507 2.577 . 0 0 "[ . 1 . 2]" 1
172 1 25 ASN HA 1 28 LEU H 2.880 . 3.960 3.229 3.186 3.265 . 0 0 "[ . 1 . 2]" 1
173 1 25 ASN HA 1 28 LEU HB2 2.960 . 4.120 3.413 3.320 3.523 . 0 0 "[ . 1 . 2]" 1
174 1 25 ASN HA 1 28 LEU HB3 3.530 . 5.260 4.657 4.594 4.744 . 0 0 "[ . 1 . 2]" 1
175 1 25 ASN HA 1 28 LEU MD2 2.760 . 3.720 3.817 3.795 3.844 0.124 11 0 "[ . 1 . 2]" 1
176 1 25 ASN QB 1 26 ASP H 2.670 . 3.540 2.656 2.542 3.480 . 0 0 "[ . 1 . 2]" 1
177 1 25 ASN QB 1 29 LEU QD 4.380 . 6.960 3.927 3.411 4.969 . 0 0 "[ . 1 . 2]" 1
178 1 26 ASP H 1 26 ASP QB 2.810 . 3.300 2.410 2.396 2.421 . 0 0 "[ . 1 . 2]" 1
179 1 26 ASP H 1 27 MET H 2.600 . 3.400 2.726 2.632 2.759 . 0 0 "[ . 1 . 2]" 1
180 1 26 ASP H 1 27 MET QB 3.570 . 5.340 4.622 4.359 4.875 . 0 0 "[ . 1 . 2]" 1
181 1 26 ASP H 1 28 LEU H 3.080 . 4.360 4.038 3.991 4.069 . 0 0 "[ . 1 . 2]" 1
182 1 26 ASP H 1 30 ILE MD 3.570 . 5.540 5.541 5.455 5.573 0.033 19 0 "[ . 1 . 2]" 1
183 1 26 ASP HA 1 28 LEU H 3.000 . 4.200 3.925 3.887 3.987 . 0 0 "[ . 1 . 2]" 1
184 1 26 ASP HA 1 28 LEU HG 3.620 . 5.440 5.488 5.460 5.519 0.079 3 0 "[ . 1 . 2]" 1
185 1 26 ASP HA 1 29 LEU H 2.940 . 4.080 3.465 3.357 3.554 . 0 0 "[ . 1 . 2]" 1
186 1 26 ASP HA 1 29 LEU HB2 3.170 . 4.540 3.532 3.197 3.789 . 0 0 "[ . 1 . 2]" 1
187 1 26 ASP HA 1 29 LEU HB3 3.650 . 5.500 5.228 4.950 5.378 . 0 0 "[ . 1 . 2]" 1
188 1 26 ASP HA 1 29 LEU QD 3.620 . 5.440 2.681 2.314 3.352 . 0 0 "[ . 1 . 2]" 1
189 1 26 ASP HA 1 54 ILE MG 4.360 . 6.920 3.985 3.742 4.302 . 0 0 "[ . 1 . 2]" 1
190 1 26 ASP QB 1 27 MET H 2.940 . 4.080 2.779 2.754 2.825 . 0 0 "[ . 1 . 2]" 1
191 1 26 ASP QB 1 29 LEU QD 3.320 . 4.840 4.204 3.962 4.475 . 0 0 "[ . 1 . 2]" 1
192 1 26 ASP QB 1 30 ILE MD 3.460 . 5.120 3.069 2.881 3.171 . 0 0 "[ . 1 . 2]" 1
193 1 26 ASP QB 1 54 ILE MG 3.180 . 4.560 2.389 2.152 2.687 . 0 0 "[ . 1 . 2]" 1
194 1 27 MET H 1 27 MET QB 2.560 . 3.320 2.245 2.117 2.462 . 0 0 "[ . 1 . 2]" 1
195 1 27 MET H 1 27 MET ME 3.400 . 5.000 4.910 4.744 5.158 0.158 19 0 "[ . 1 . 2]" 1
196 1 27 MET H 1 27 MET QG 3.110 . 4.040 2.932 2.283 4.045 0.005 19 0 "[ . 1 . 2]" 1
197 1 27 MET H 1 28 LEU MD2 3.350 . 4.900 4.906 4.835 4.927 0.027 1 0 "[ . 1 . 2]" 1
198 1 27 MET H 1 30 ILE MG 3.950 . 6.100 6.162 6.120 6.250 0.150 2 0 "[ . 1 . 2]" 1
199 1 27 MET HA 1 27 MET ME 2.650 . 3.500 3.459 2.908 3.584 0.084 15 0 "[ . 1 . 2]" 1
200 1 27 MET HA 1 30 ILE H 3.030 . 4.260 2.946 2.887 3.099 . 0 0 "[ . 1 . 2]" 1
201 1 27 MET HA 1 30 ILE HB 2.620 . 3.450 2.257 2.193 2.429 . 0 0 "[ . 1 . 2]" 1
202 1 27 MET HA 1 30 ILE MD 2.860 . 3.920 2.322 2.213 2.485 . 0 0 "[ . 1 . 2]" 1
203 1 27 MET HA 1 30 ILE QG 3.490 . 5.180 3.019 2.926 3.182 . 0 0 "[ . 1 . 2]" 1
204 1 27 MET HA 1 30 ILE MG 3.330 . 4.870 3.829 3.789 3.936 . 0 0 "[ . 1 . 2]" 1
205 1 27 MET QB 1 27 MET ME 2.790 . 3.780 3.126 2.030 3.702 . 0 0 "[ . 1 . 2]" 1
206 1 27 MET QB 1 28 LEU MD2 3.090 . 4.380 3.663 3.470 3.736 . 0 0 "[ . 1 . 2]" 1
207 1 27 MET ME 1 27 MET QG 2.930 . 3.420 2.132 1.997 2.261 . 0 0 "[ . 1 . 2]" 1
208 1 27 MET ME 1 30 ILE MD 2.980 . 4.160 2.542 1.975 3.474 . 0 0 "[ . 1 . 2]" 1
209 1 27 MET ME 1 30 ILE MG 2.850 . 3.890 3.154 2.050 3.914 0.024 10 0 "[ . 1 . 2]" 1
210 1 27 MET ME 1 31 ASN H 3.650 . 5.500 5.035 3.223 5.605 0.105 7 0 "[ . 1 . 2]" 1
211 1 27 MET QG 1 28 LEU H 3.650 . 5.500 4.536 4.217 4.761 . 0 0 "[ . 1 . 2]" 1
212 1 28 LEU H 1 28 LEU MD2 2.620 . 3.450 3.244 3.173 3.273 . 0 0 "[ . 1 . 2]" 1
213 1 28 LEU H 1 28 LEU HG 2.430 . 3.060 2.218 2.174 2.233 . 0 0 "[ . 1 . 2]" 1
214 1 28 LEU H 1 29 LEU H 2.730 . 3.660 2.658 2.626 2.675 . 0 0 "[ . 1 . 2]" 1
215 1 28 LEU H 1 30 ILE H 3.000 . 4.210 3.990 3.958 4.049 . 0 0 "[ . 1 . 2]" 1
216 1 28 LEU H 1 31 ASN QB 3.810 . 5.830 4.947 4.794 5.077 . 0 0 "[ . 1 . 2]" 1
217 1 28 LEU HA 1 28 LEU MD2 2.600 . 3.400 2.194 2.183 2.202 . 0 0 "[ . 1 . 2]" 1
218 1 28 LEU HA 1 29 LEU QD 3.170 . 4.540 4.597 4.384 4.782 0.242 2 0 "[ . 1 . 2]" 1
219 1 28 LEU HA 1 31 ASN QB 3.210 . 3.960 2.747 2.667 2.813 . 0 0 "[ . 1 . 2]" 1
220 1 28 LEU HB2 1 28 LEU MD2 2.770 . 3.740 3.276 3.274 3.278 . 0 0 "[ . 1 . 2]" 1
221 1 28 LEU HB2 1 29 LEU H 2.510 . 3.220 2.625 2.597 2.648 . 0 0 "[ . 1 . 2]" 1
222 1 28 LEU HB2 1 29 LEU HB2 3.730 . 5.660 4.832 4.688 4.983 . 0 0 "[ . 1 . 2]" 1
223 1 28 LEU HB2 1 29 LEU QD 2.890 . 3.000 2.638 2.424 3.074 0.074 15 0 "[ . 1 . 2]" 1
224 1 28 LEU HB3 1 28 LEU MD2 2.570 . 3.340 2.379 2.370 2.392 . 0 0 "[ . 1 . 2]" 1
225 1 28 LEU HB3 1 29 LEU H 2.880 . 3.960 3.736 3.708 3.760 . 0 0 "[ . 1 . 2]" 1
226 1 28 LEU HG 1 29 LEU QD 3.500 . 5.200 4.574 4.336 5.094 . 0 0 "[ . 1 . 2]" 1
227 1 29 LEU H 1 29 LEU HB2 2.690 . 3.570 2.422 2.322 2.561 . 0 0 "[ . 1 . 2]" 1
228 1 29 LEU H 1 29 LEU QD 2.820 . 3.300 2.328 2.053 2.890 . 0 0 "[ . 1 . 2]" 1
229 1 29 LEU H 1 30 ILE H 2.770 . 3.740 2.556 2.532 2.573 . 0 0 "[ . 1 . 2]" 1
230 1 29 LEU H 1 31 ASN H 3.470 . 5.140 4.135 4.082 4.205 . 0 0 "[ . 1 . 2]" 1
231 1 29 LEU HA 1 29 LEU QD . . 2.900 2.488 2.024 2.915 0.015 14 0 "[ . 1 . 2]" 1
232 1 29 LEU HA 1 32 ALA H 2.900 . 4.000 3.227 3.159 3.264 . 0 0 "[ . 1 . 2]" 1
233 1 29 LEU HA 1 32 ALA MB 2.650 . 3.500 2.555 2.507 2.600 . 0 0 "[ . 1 . 2]" 1
234 1 29 LEU HB2 1 29 LEU QD 2.750 . 3.700 2.213 2.106 2.368 . 0 0 "[ . 1 . 2]" 1
235 1 29 LEU HB2 1 30 ILE H 2.830 . 3.860 2.726 2.659 2.791 . 0 0 "[ . 1 . 2]" 1
236 1 29 LEU HB2 1 30 ILE MD 3.300 . 4.800 4.775 4.700 4.822 0.022 18 0 "[ . 1 . 2]" 1
237 1 29 LEU HB2 1 32 ALA MB 3.460 . 5.120 5.023 4.949 5.071 . 0 0 "[ . 1 . 2]" 1
238 1 29 LEU HB2 1 54 ILE MD 4.020 . 6.240 3.111 2.740 3.433 . 0 0 "[ . 1 . 2]" 1
239 1 29 LEU HB3 1 29 LEU QD 2.480 . 2.700 2.239 2.177 2.366 . 0 0 "[ . 1 . 2]" 1
240 1 29 LEU QD 1 30 ILE HB 3.820 . 5.840 5.646 5.506 5.871 0.031 10 0 "[ . 1 . 2]" 1
241 1 29 LEU QD 1 30 ILE QG 3.540 . 5.280 4.406 4.264 4.581 . 0 0 "[ . 1 . 2]" 1
242 1 29 LEU QD 1 32 ALA H 4.280 . 6.770 4.786 4.342 5.116 . 0 0 "[ . 1 . 2]" 1
243 1 29 LEU QD 1 32 ALA MB 3.080 . 4.360 3.692 2.996 4.221 . 0 0 "[ . 1 . 2]" 1
244 1 30 ILE H 1 30 ILE HB 2.620 . 3.440 2.441 2.427 2.467 . 0 0 "[ . 1 . 2]" 1
245 1 30 ILE H 1 30 ILE MD 2.830 . 3.850 3.483 3.461 3.501 . 0 0 "[ . 1 . 2]" 1
246 1 30 ILE H 1 30 ILE QG 2.770 . 3.220 2.176 2.143 2.202 . 0 0 "[ . 1 . 2]" 1
247 1 30 ILE H 1 30 ILE MG 2.920 . 4.040 3.750 3.745 3.754 . 0 0 "[ . 1 . 2]" 1
248 1 30 ILE H 1 31 ASN H 2.760 . 3.720 2.712 2.686 2.736 . 0 0 "[ . 1 . 2]" 1
249 1 30 ILE HA 1 30 ILE MD 2.960 . 4.120 3.875 3.870 3.881 . 0 0 "[ . 1 . 2]" 1
250 1 30 ILE HA 1 30 ILE QG 2.930 . 3.320 2.389 2.380 2.406 . 0 0 "[ . 1 . 2]" 1
251 1 30 ILE HA 1 30 ILE MG 2.810 . 3.810 2.365 2.350 2.378 . 0 0 "[ . 1 . 2]" 1
252 1 30 ILE HA 1 33 ASP QB 3.460 . 4.260 2.737 2.654 2.839 . 0 0 "[ . 1 . 2]" 1
253 1 30 ILE HB 1 30 ILE MD 2.640 . 3.480 2.330 2.239 2.400 . 0 0 "[ . 1 . 2]" 1
254 1 30 ILE HB 1 31 ASN H 2.750 . 3.700 2.549 2.507 2.599 . 0 0 "[ . 1 . 2]" 1
255 1 30 ILE HB 1 54 ILE MG 3.600 . 5.400 4.334 4.173 4.475 . 0 0 "[ . 1 . 2]" 1
256 1 30 ILE MD 1 30 ILE MG 2.600 . 3.400 2.103 2.010 2.227 . 0 0 "[ . 1 . 2]" 1
257 1 30 ILE MD 1 51 LEU HA 3.650 . 5.500 4.055 3.892 4.245 . 0 0 "[ . 1 . 2]" 1
258 1 30 ILE MD 1 54 ILE QG 2.890 . 3.980 4.105 4.057 4.139 0.159 19 0 "[ . 1 . 2]" 1
259 1 30 ILE MD 1 54 ILE MG 2.500 . 3.200 2.008 1.930 2.095 . 0 0 "[ . 1 . 2]" 1
260 1 30 ILE MD 1 55 VAL QG 3.600 . 5.400 3.554 2.600 4.323 . 0 0 "[ . 1 . 2]" 1
261 1 30 ILE QG 1 30 ILE MG 2.560 . 3.330 2.338 2.323 2.344 . 0 0 "[ . 1 . 2]" 1
262 1 30 ILE QG 1 31 ASN H 3.440 . 5.080 4.119 4.084 4.140 . 0 0 "[ . 1 . 2]" 1
263 1 30 ILE QG 1 33 ASP QB 4.510 . 7.220 4.438 4.339 4.521 . 0 0 "[ . 1 . 2]" 1
264 1 30 ILE QG 1 54 ILE QG 3.400 . 5.000 3.369 3.306 3.431 . 0 0 "[ . 1 . 2]" 1
265 1 30 ILE QG 1 54 ILE MG 3.100 . 4.400 2.146 1.992 2.290 . 0 0 "[ . 1 . 2]" 1
266 1 30 ILE MG 1 31 ASN H 2.900 . 4.000 3.292 3.262 3.339 . 0 0 "[ . 1 . 2]" 1
267 1 30 ILE MG 1 31 ASN HA 3.470 . 5.140 3.227 3.188 3.262 . 0 0 "[ . 1 . 2]" 1
268 1 30 ILE MG 1 33 ASP QB 3.170 . 4.540 3.457 3.344 3.549 . 0 0 "[ . 1 . 2]" 1
269 1 30 ILE MG 1 51 LEU HA 3.480 . 5.160 4.245 4.086 4.481 . 0 0 "[ . 1 . 2]" 1
270 1 30 ILE MG 1 51 LEU QD 3.920 . 6.050 2.232 1.933 2.636 . 0 0 "[ . 1 . 2]" 1
271 1 30 ILE MG 1 54 ILE MD 2.800 . 3.800 3.398 3.357 3.479 . 0 0 "[ . 1 . 2]" 1
272 1 30 ILE MG 1 54 ILE QG 3.460 . 5.120 5.295 5.236 5.350 0.230 17 0 "[ . 1 . 2]" 1
273 1 31 ASN H 1 31 ASN QB 2.900 . 3.410 2.329 2.247 2.404 . 0 0 "[ . 1 . 2]" 1
274 1 31 ASN H 1 32 ALA H 2.860 . 3.920 2.727 2.681 2.786 . 0 0 "[ . 1 . 2]" 1
275 1 31 ASN H 1 33 ASP H 3.150 . 4.500 4.147 4.111 4.191 . 0 0 "[ . 1 . 2]" 1
276 1 31 ASN HA 1 34 TYR H 3.070 . 4.340 3.187 3.095 3.283 . 0 0 "[ . 1 . 2]" 1
277 1 31 ASN HA 1 34 TYR QB 2.770 . 3.740 2.528 2.363 2.739 . 0 0 "[ . 1 . 2]" 1
278 1 31 ASN QB 1 32 ALA H 2.710 . 3.610 2.710 2.608 2.835 . 0 0 "[ . 1 . 2]" 1
279 1 31 ASN QB 1 32 ALA HA 3.130 . 4.460 3.891 3.810 4.066 . 0 0 "[ . 1 . 2]" 1
280 1 31 ASN QB 1 32 ALA MB 3.080 . 4.370 3.946 3.915 4.028 . 0 0 "[ . 1 . 2]" 1
281 1 31 ASN QB 1 34 TYR QB 4.390 . 6.980 4.075 3.724 4.425 . 0 0 "[ . 1 . 2]" 1
282 1 32 ALA H 1 32 ALA MB 2.420 . 3.030 2.268 2.261 2.275 . 0 0 "[ . 1 . 2]" 1
283 1 32 ALA H 1 33 ASP H 2.710 . 3.620 2.655 2.569 2.727 . 0 0 "[ . 1 . 2]" 1
284 1 32 ALA H 1 33 ASP QB 3.340 . 4.880 4.655 4.557 4.732 . 0 0 "[ . 1 . 2]" 1
285 1 32 ALA HA 1 35 GLN H 2.830 . 3.850 3.333 3.216 3.413 . 0 0 "[ . 1 . 2]" 1
286 1 32 ALA HA 1 35 GLN QB 2.790 . 3.770 3.083 2.727 3.292 . 0 0 "[ . 1 . 2]" 1
287 1 32 ALA HA 1 35 GLN QG 3.290 . 4.680 3.429 2.828 4.825 0.145 3 0 "[ . 1 . 2]" 1
288 1 32 ALA MB 1 33 ASP H 2.650 . 3.500 2.659 2.622 2.697 . 0 0 "[ . 1 . 2]" 1
289 1 32 ALA MB 1 34 TYR H 3.300 . 4.800 4.502 4.436 4.548 . 0 0 "[ . 1 . 2]" 1
290 1 32 ALA MB 1 35 GLN H 3.170 . 4.540 4.523 4.452 4.590 0.050 15 0 "[ . 1 . 2]" 1
291 1 32 ALA MB 1 35 GLN QB 3.200 . 4.600 4.073 3.838 4.243 . 0 0 "[ . 1 . 2]" 1
292 1 32 ALA MB 1 36 GLN H 3.650 . 5.500 4.781 4.613 4.958 . 0 0 "[ . 1 . 2]" 1
293 1 33 ASP H 1 33 ASP QB 2.920 . 3.410 2.353 2.336 2.364 . 0 0 "[ . 1 . 2]" 1
294 1 33 ASP H 1 34 TYR H 2.880 . 3.960 2.535 2.492 2.599 . 0 0 "[ . 1 . 2]" 1
295 1 33 ASP H 1 35 GLN H 3.180 . 4.560 4.134 4.012 4.248 . 0 0 "[ . 1 . 2]" 1
296 1 33 ASP HA 1 36 GLN H 3.030 . 4.260 3.189 3.107 3.270 . 0 0 "[ . 1 . 2]" 1
297 1 33 ASP HA 1 36 GLN QG 3.400 . 4.300 2.983 2.735 3.251 . 0 0 "[ . 1 . 2]" 1
298 1 33 ASP HA 1 42 MET ME 2.740 . 3.680 2.881 2.340 3.550 . 0 0 "[ . 1 . 2]" 1
299 1 33 ASP HA 1 50 LYS QB 3.880 . 5.960 5.871 5.641 6.056 0.096 13 0 "[ . 1 . 2]" 1
300 1 33 ASP QB 1 34 TYR H 3.060 . 3.770 2.703 2.670 2.740 . 0 0 "[ . 1 . 2]" 1
301 1 33 ASP QB 1 42 MET ME 3.020 . 3.500 2.333 1.917 2.701 . 0 0 "[ . 1 . 2]" 1
302 1 33 ASP QB 1 47 PHE QD 3.100 . 4.020 2.320 2.153 2.587 . 0 0 "[ . 1 . 2]" 1
303 1 34 TYR H 1 34 TYR QB 2.510 . 3.220 2.259 2.227 2.293 . 0 0 "[ . 1 . 2]" 1
304 1 34 TYR H 1 35 GLN H 2.940 . 4.080 2.777 2.731 2.815 . 0 0 "[ . 1 . 2]" 1
305 1 34 TYR H 1 35 GLN QB 3.570 . 5.340 4.766 4.500 4.863 . 0 0 "[ . 1 . 2]" 1
306 1 34 TYR H 1 36 GLN H 3.050 . 4.300 4.140 4.083 4.236 . 0 0 "[ . 1 . 2]" 1
307 1 34 TYR H 1 42 MET ME 3.650 . 5.500 5.048 4.454 5.546 0.046 20 0 "[ . 1 . 2]" 1
308 1 34 TYR H 1 47 PHE QD 4.020 . 6.240 4.539 4.254 4.837 . 0 0 "[ . 1 . 2]" 1
309 1 34 TYR HA 1 34 TYR QD 2.820 . 3.840 2.519 2.111 2.850 . 0 0 "[ . 1 . 2]" 1
310 1 34 TYR HA 1 37 LEU H 3.270 . 4.740 3.127 3.033 3.225 . 0 0 "[ . 1 . 2]" 1
311 1 34 TYR HA 1 37 LEU QB 3.000 . 4.200 2.536 2.394 2.892 . 0 0 "[ . 1 . 2]" 1
312 1 34 TYR HA 1 47 PHE QD 4.540 . 7.280 3.634 3.214 3.928 . 0 0 "[ . 1 . 2]" 1
313 1 34 TYR QB 1 35 GLN H 2.810 . 3.810 2.699 2.591 2.833 . 0 0 "[ . 1 . 2]" 1
314 1 35 GLN H 1 35 GLN QB 2.470 . 3.140 2.392 2.251 2.462 . 0 0 "[ . 1 . 2]" 1
315 1 35 GLN H 1 35 GLN QG 3.110 . 4.420 2.701 2.314 4.117 . 0 0 "[ . 1 . 2]" 1
316 1 35 GLN H 1 36 GLN H 2.750 . 3.700 2.618 2.585 2.643 . 0 0 "[ . 1 . 2]" 1
317 1 35 GLN H 1 36 GLN HB2 3.570 . 5.340 4.834 4.749 4.891 . 0 0 "[ . 1 . 2]" 1
318 1 35 GLN H 1 37 LEU QB 4.230 . 6.660 4.906 4.823 5.149 . 0 0 "[ . 1 . 2]" 1
319 1 35 GLN H 1 38 ARG QG 3.430 . 5.060 4.941 4.636 5.105 0.045 11 0 "[ . 1 . 2]" 1
320 1 35 GLN H 1 39 ASP H 4.490 . 7.180 6.017 5.923 6.269 . 0 0 "[ . 1 . 2]" 1
321 1 35 GLN HA 1 35 GLN QG 2.750 . 3.700 2.749 2.423 3.000 . 0 0 "[ . 1 . 2]" 1
322 1 35 GLN HA 1 38 ARG QB 2.830 . 3.860 2.706 2.529 3.297 . 0 0 "[ . 1 . 2]" 1
323 1 35 GLN HA 1 38 ARG QD 3.440 . 5.080 3.346 2.390 5.179 0.099 18 0 "[ . 1 . 2]" 1
324 1 35 GLN HA 1 38 ARG QG 3.090 . 4.380 3.161 2.048 3.425 . 0 0 "[ . 1 . 2]" 1
325 1 35 GLN QB 1 36 GLN H 2.690 . 3.580 2.635 2.570 2.687 . 0 0 "[ . 1 . 2]" 1
326 1 36 GLN H 1 36 GLN HB2 2.790 . 3.770 2.504 2.457 2.557 . 0 0 "[ . 1 . 2]" 1
327 1 36 GLN H 1 36 GLN HB3 2.780 . 3.760 3.654 3.641 3.675 . 0 0 "[ . 1 . 2]" 1
328 1 36 GLN H 1 36 GLN QG 2.710 . 3.610 2.369 2.320 2.412 . 0 0 "[ . 1 . 2]" 1
329 1 36 GLN H 1 37 LEU H 2.780 . 3.760 2.644 2.594 2.721 . 0 0 "[ . 1 . 2]" 1
330 1 36 GLN H 1 38 ARG QB 3.570 . 5.340 5.188 5.085 5.635 0.295 6 0 "[ . 1 . 2]" 1
331 1 36 GLN H 1 41 LYS HB2 3.650 . 5.500 5.057 4.957 5.176 . 0 0 "[ . 1 . 2]" 1
332 1 36 GLN HA 1 36 GLN QG 3.020 . 3.570 2.465 2.406 2.990 . 0 0 "[ . 1 . 2]" 1
333 1 36 GLN HA 1 37 LEU HA 3.670 . 5.540 4.750 4.724 4.762 . 0 0 "[ . 1 . 2]" 1
334 1 36 GLN HA 1 39 ASP H 3.150 . 4.500 3.341 3.245 3.436 . 0 0 "[ . 1 . 2]" 1
335 1 36 GLN HA 1 39 ASP QB 3.070 . 4.340 2.685 2.510 3.096 . 0 0 "[ . 1 . 2]" 1
336 1 36 GLN HA 1 41 LYS HB2 2.820 . 3.840 2.526 2.450 2.606 . 0 0 "[ . 1 . 2]" 1
337 1 36 GLN HA 1 41 LYS HB3 2.910 . 4.020 4.141 3.768 4.202 0.182 12 0 "[ . 1 . 2]" 1
338 1 36 GLN HA 1 41 LYS QE 3.570 . 5.340 4.769 2.342 5.377 0.037 17 0 "[ . 1 . 2]" 1
339 1 36 GLN HA 1 41 LYS QG 3.000 . 4.200 3.736 3.169 4.279 0.079 13 0 "[ . 1 . 2]" 1
340 1 36 GLN HA 1 42 MET H 3.240 . 4.680 4.757 4.706 4.787 0.107 17 0 "[ . 1 . 2]" 1
341 1 36 GLN HA 1 42 MET QB 3.420 . 5.040 4.335 4.248 4.837 . 0 0 "[ . 1 . 2]" 1
342 1 36 GLN HB2 1 41 LYS HB2 3.210 . 4.630 4.060 3.950 4.315 . 0 0 "[ . 1 . 2]" 1
343 1 36 GLN HB2 1 42 MET QG 3.080 . 4.360 4.290 3.807 4.556 0.196 14 0 "[ . 1 . 2]" 1
344 1 36 GLN HB3 1 37 LEU H 2.900 . 4.000 3.731 3.700 3.774 . 0 0 "[ . 1 . 2]" 1
345 1 36 GLN HB3 1 37 LEU HA 3.350 . 4.910 4.286 4.245 4.325 . 0 0 "[ . 1 . 2]" 1
346 1 36 GLN HB3 1 41 LYS H 3.260 . 4.720 3.603 3.345 3.711 . 0 0 "[ . 1 . 2]" 1
347 1 36 GLN HB3 1 41 LYS HB2 3.170 . 4.550 2.420 2.281 2.746 . 0 0 "[ . 1 . 2]" 1
348 1 36 GLN HB3 1 41 LYS HB3 3.090 . 4.380 3.393 2.695 3.619 . 0 0 "[ . 1 . 2]" 1
349 1 36 GLN HB3 1 42 MET H 2.960 . 4.130 3.611 3.324 3.716 . 0 0 "[ . 1 . 2]" 1
350 1 36 GLN HB3 1 42 MET QB 3.180 . 3.980 2.261 2.137 2.505 . 0 0 "[ . 1 . 2]" 1
351 1 36 GLN QG 1 41 LYS HB3 3.570 . 5.340 3.773 3.364 4.540 . 0 0 "[ . 1 . 2]" 1
352 1 36 GLN QG 1 41 LYS QD 4.470 . 7.140 3.832 3.015 6.465 . 0 0 "[ . 1 . 2]" 1
353 1 36 GLN QG 1 42 MET ME 2.960 . 4.120 3.841 2.637 4.287 0.167 13 0 "[ . 1 . 2]" 1
354 1 37 LEU H 1 37 LEU QB 2.710 . 3.160 2.268 2.102 2.437 . 0 0 "[ . 1 . 2]" 1
355 1 37 LEU H 1 37 LEU QD 3.010 . 4.220 3.673 2.851 3.757 . 0 0 "[ . 1 . 2]" 1
356 1 37 LEU H 1 37 LEU HG 3.250 . 4.710 4.341 2.384 4.463 . 0 0 "[ . 1 . 2]" 1
357 1 37 LEU H 1 38 ARG H 2.750 . 3.700 2.689 2.606 2.742 . 0 0 "[ . 1 . 2]" 1
358 1 37 LEU H 1 41 LYS HB2 3.410 . 5.020 5.123 5.070 5.188 0.168 7 0 "[ . 1 . 2]" 1
359 1 37 LEU H 1 42 MET QB 3.360 . 4.920 3.491 3.176 4.527 . 0 0 "[ . 1 . 2]" 1
360 1 37 LEU H 1 42 MET ME 3.650 . 5.500 4.002 3.201 4.554 . 0 0 "[ . 1 . 2]" 1
361 1 37 LEU HA 1 37 LEU QD 2.620 . 3.440 2.186 1.903 2.228 . 0 0 "[ . 1 . 2]" 1
362 1 37 LEU HA 1 37 LEU HG 3.030 . 4.260 3.130 2.981 3.639 . 0 0 "[ . 1 . 2]" 1
363 1 37 LEU HA 1 42 MET H 2.830 . 3.870 2.816 2.551 3.102 . 0 0 "[ . 1 . 2]" 1
364 1 37 LEU HA 1 42 MET QB 2.790 . 3.780 2.662 2.148 3.961 0.181 13 0 "[ . 1 . 2]" 1
365 1 37 LEU HA 1 42 MET QG 3.400 . 5.000 4.274 2.038 5.067 0.067 7 0 "[ . 1 . 2]" 1
366 1 37 LEU QB 1 38 ARG H 2.730 . 3.660 2.615 2.562 2.902 . 0 0 "[ . 1 . 2]" 1
367 1 37 LEU QB 1 38 ARG QB 3.210 . 4.620 4.506 3.922 4.654 0.034 7 0 "[ . 1 . 2]" 1
368 1 37 LEU QD 1 42 MET QB 3.420 . 5.040 2.875 2.041 4.028 . 0 0 "[ . 1 . 2]" 1
369 1 37 LEU QD 1 42 MET ME 3.620 . 5.440 3.969 1.960 4.829 . 0 0 "[ . 1 . 2]" 1
370 1 37 LEU QD 1 42 MET QG 3.130 . 4.460 3.293 2.204 3.808 . 0 0 "[ . 1 . 2]" 1
371 1 37 LEU QD 1 43 THR H 3.210 . 4.620 4.566 4.051 4.688 0.068 16 0 "[ . 1 . 2]" 1
372 1 37 LEU QD 1 44 ARG H 3.130 . 4.460 3.530 3.109 3.965 . 0 0 "[ . 1 . 2]" 1
373 1 37 LEU QD 1 44 ARG HA 2.710 . 3.620 2.277 2.006 2.771 . 0 0 "[ . 1 . 2]" 1
374 1 37 LEU QD 1 44 ARG QB 2.960 . 4.120 3.138 2.159 3.657 . 0 0 "[ . 1 . 2]" 1
375 1 37 LEU QD 1 47 PHE H 3.270 . 4.740 3.848 3.321 4.207 . 0 0 "[ . 1 . 2]" 1
376 1 37 LEU QD 1 47 PHE QB 2.880 . 3.960 2.328 1.854 2.495 . 0 0 "[ . 1 . 2]" 1
377 1 37 LEU HG 1 47 PHE QB 3.460 . 5.120 4.671 3.050 5.105 . 0 0 "[ . 1 . 2]" 1
378 1 38 ARG H 1 38 ARG QB 2.530 . 3.260 2.407 2.310 2.444 . 0 0 "[ . 1 . 2]" 1
379 1 38 ARG H 1 38 ARG QD 3.390 . 4.980 3.950 3.665 4.533 . 0 0 "[ . 1 . 2]" 1
380 1 38 ARG H 1 38 ARG QG 2.600 . 3.400 2.414 2.330 2.649 . 0 0 "[ . 1 . 2]" 1
381 1 38 ARG H 1 39 ASP H 2.820 . 3.840 2.659 2.591 2.697 . 0 0 "[ . 1 . 2]" 1
382 1 38 ARG H 1 39 ASP HA 3.560 . 5.320 5.217 5.159 5.246 . 0 0 "[ . 1 . 2]" 1
383 1 38 ARG H 1 39 ASP QB 3.280 . 4.760 4.711 4.667 4.761 0.001 13 0 "[ . 1 . 2]" 1
384 1 38 ARG HA 1 38 ARG QD 3.310 . 4.250 3.794 2.123 4.404 0.154 6 0 "[ . 1 . 2]" 1
385 1 38 ARG HA 1 38 ARG QG 3.010 . 4.220 2.527 2.332 3.345 . 0 0 "[ . 1 . 2]" 1
386 1 38 ARG QB 1 38 ARG QD 2.420 . 3.040 2.318 2.182 2.726 . 0 0 "[ . 1 . 2]" 1
387 1 38 ARG QB 1 39 ASP H 2.730 . 3.660 2.728 2.610 3.658 . 0 0 "[ . 1 . 2]" 1
388 1 38 ARG QB 1 40 LYS H 3.570 . 5.340 4.324 4.289 4.706 . 0 0 "[ . 1 . 2]" 1
389 1 38 ARG QG 1 39 ASP H 3.130 . 4.460 4.163 2.571 4.308 . 0 0 "[ . 1 . 2]" 1
390 1 39 ASP H 1 39 ASP QB 2.730 . 3.100 2.371 2.361 2.399 . 0 0 "[ . 1 . 2]" 1
391 1 39 ASP H 1 40 LYS H 2.880 . 3.960 2.538 2.439 2.605 . 0 0 "[ . 1 . 2]" 1
392 1 39 ASP H 1 41 LYS H 3.100 . 4.400 3.635 3.513 3.677 . 0 0 "[ . 1 . 2]" 1
393 1 39 ASP QB 1 40 LYS H 3.170 . 3.940 3.415 3.369 3.493 . 0 0 "[ . 1 . 2]" 1
394 1 39 ASP QB 1 41 LYS H 3.380 . 4.960 3.109 3.016 3.251 . 0 0 "[ . 1 . 2]" 1
395 1 39 ASP QB 1 41 LYS QG 2.810 . 3.810 2.144 1.899 3.756 . 0 0 "[ . 1 . 2]" 1
396 1 40 LYS H 1 40 LYS QB 2.650 . 3.500 3.445 3.400 3.493 . 0 0 "[ . 1 . 2]" 1
397 1 40 LYS H 1 40 LYS QD 3.220 . 4.640 4.415 2.952 4.851 0.211 13 0 "[ . 1 . 2]" 1
398 1 40 LYS H 1 40 LYS QG 2.880 . 3.960 2.895 2.808 3.054 . 0 0 "[ . 1 . 2]" 1
399 1 40 LYS H 1 41 LYS H 2.710 . 3.620 2.541 2.480 2.658 . 0 0 "[ . 1 . 2]" 1
400 1 40 LYS H 1 41 LYS HB2 3.650 . 5.500 4.644 4.364 4.804 . 0 0 "[ . 1 . 2]" 1
401 1 40 LYS H 1 42 MET H 3.230 . 4.660 3.791 3.670 4.056 . 0 0 "[ . 1 . 2]" 1
402 1 40 LYS HA 1 40 LYS QD 3.090 . 4.380 3.723 2.148 4.296 . 0 0 "[ . 1 . 2]" 1
403 1 40 LYS HA 1 40 LYS QE 3.400 . 5.000 4.422 3.001 5.054 0.054 14 0 "[ . 1 . 2]" 1
404 1 40 LYS HA 1 40 LYS QG 2.560 . 3.320 2.577 2.423 3.087 . 0 0 "[ . 1 . 2]" 1
405 1 40 LYS HA 1 42 MET H 3.000 . 4.200 3.024 2.928 3.224 . 0 0 "[ . 1 . 2]" 1
406 1 40 LYS QE 1 40 LYS QG 2.510 . 3.220 2.305 2.201 2.762 . 0 0 "[ . 1 . 2]" 1
407 1 41 LYS H 1 41 LYS HB2 2.670 . 3.540 2.399 2.164 2.476 . 0 0 "[ . 1 . 2]" 1
408 1 41 LYS H 1 41 LYS HB3 2.770 . 3.740 3.631 3.326 3.678 . 0 0 "[ . 1 . 2]" 1
409 1 41 LYS H 1 41 LYS QG 2.790 . 3.770 2.872 2.627 3.879 0.109 13 0 "[ . 1 . 2]" 1
410 1 41 LYS H 1 42 MET H 2.590 . 3.380 2.105 2.006 2.192 . 0 0 "[ . 1 . 2]" 1
411 1 41 LYS HA 1 41 LYS QD 3.150 . 4.500 3.546 2.059 4.250 . 0 0 "[ . 1 . 2]" 1
412 1 41 LYS HA 1 41 LYS QE 3.570 . 5.340 4.369 3.167 5.053 . 0 0 "[ . 1 . 2]" 1
413 1 41 LYS HA 1 41 LYS QG 2.880 . 3.960 2.522 2.115 2.960 . 0 0 "[ . 1 . 2]" 1
414 1 41 LYS HB2 1 42 MET H 2.890 . 3.980 3.502 3.398 3.557 . 0 0 "[ . 1 . 2]" 1
415 1 41 LYS HB3 1 41 LYS QD 2.660 . 3.520 2.619 2.377 3.282 . 0 0 "[ . 1 . 2]" 1
416 1 41 LYS HB3 1 41 LYS QE 3.280 . 4.760 3.456 2.126 4.487 . 0 0 "[ . 1 . 2]" 1
417 1 41 LYS QD 1 41 LYS QG 2.040 . 2.280 2.108 2.048 2.141 . 0 0 "[ . 1 . 2]" 1
418 1 41 LYS QE 1 41 LYS QG 2.470 . 3.140 2.321 2.199 2.770 . 0 0 "[ . 1 . 2]" 1
419 1 41 LYS QG 1 42 MET H 3.170 . 4.540 4.456 4.386 4.757 0.217 13 0 "[ . 1 . 2]" 1
420 1 42 MET H 1 42 MET QB 2.830 . 3.400 2.622 2.469 2.868 . 0 0 "[ . 1 . 2]" 1
421 1 42 MET HA 1 42 MET ME 3.300 . 4.800 3.952 3.419 4.535 . 0 0 "[ . 1 . 2]" 1
422 1 42 MET HA 1 43 THR H 2.650 . 3.500 2.291 2.252 2.340 . 0 0 "[ . 1 . 2]" 1
423 1 42 MET QB 1 42 MET ME 2.590 . 3.380 2.171 1.961 2.333 . 0 0 "[ . 1 . 2]" 1
424 1 42 MET QB 1 43 THR H 3.020 . 4.240 3.636 2.768 3.763 . 0 0 "[ . 1 . 2]" 1
425 1 42 MET ME 1 42 MET QG 2.420 . 3.030 2.162 2.091 2.413 . 0 0 "[ . 1 . 2]" 1
426 1 42 MET ME 1 47 PHE HA 2.960 . 4.120 3.054 2.032 3.930 . 0 0 "[ . 1 . 2]" 1
427 1 42 MET ME 1 47 PHE QB 3.000 . 4.200 3.358 2.071 4.336 0.136 3 0 "[ . 1 . 2]" 1
428 1 42 MET ME 1 47 PHE QD 3.000 . 4.200 2.928 1.930 3.754 . 0 0 "[ . 1 . 2]" 1
429 1 42 MET ME 1 50 LYS QD 3.230 . 3.930 2.962 2.162 4.083 0.153 14 0 "[ . 1 . 2]" 1
430 1 42 MET ME 1 50 LYS QE 3.000 . 4.210 3.156 1.973 4.312 0.102 16 0 "[ . 1 . 2]" 1
431 1 42 MET ME 1 50 LYS QG 3.030 . 4.260 3.786 2.252 4.381 0.121 10 0 "[ . 1 . 2]" 1
432 1 42 MET QG 1 43 THR H 3.160 . 4.520 2.534 2.277 3.248 . 0 0 "[ . 1 . 2]" 1
433 1 42 MET QG 1 47 PHE H 3.170 . 4.540 3.070 2.806 3.339 . 0 0 "[ . 1 . 2]" 1
434 1 42 MET QG 1 47 PHE QB 3.030 . 4.260 2.905 2.263 3.522 . 0 0 "[ . 1 . 2]" 1
435 1 43 THR H 1 43 THR MG 2.870 . 3.940 3.777 3.762 3.791 . 0 0 "[ . 1 . 2]" 1
436 1 43 THR H 1 46 GLU H 3.170 . 4.550 4.029 3.896 4.121 . 0 0 "[ . 1 . 2]" 1
437 1 43 THR H 1 46 GLU HA 3.650 . 5.500 5.555 5.467 5.657 0.157 7 0 "[ . 1 . 2]" 1
438 1 43 THR H 1 46 GLU QB 3.300 . 4.100 2.581 2.478 2.731 . 0 0 "[ . 1 . 2]" 1
439 1 43 THR HA 1 43 THR MG 2.640 . 3.480 2.206 2.161 2.251 . 0 0 "[ . 1 . 2]" 1
440 1 43 THR HA 1 45 ALA H 3.190 . 4.580 4.289 4.157 4.399 . 0 0 "[ . 1 . 2]" 1
441 1 43 THR HB 1 44 ARG H 2.850 . 3.890 3.797 3.668 3.901 0.011 11 0 "[ . 1 . 2]" 1
442 1 43 THR HB 1 45 ALA H 2.870 . 3.940 3.468 3.192 3.696 . 0 0 "[ . 1 . 2]" 1
443 1 43 THR HB 1 45 ALA MB 3.170 . 4.540 3.468 3.214 3.693 . 0 0 "[ . 1 . 2]" 1
444 1 43 THR HB 1 46 GLU H 2.940 . 4.090 2.180 2.124 2.266 . 0 0 "[ . 1 . 2]" 1
445 1 43 THR HB 1 50 LYS QE 4.370 . 6.940 6.865 6.109 7.049 0.109 14 0 "[ . 1 . 2]" 1
446 1 43 THR MG 1 44 ARG H 3.120 . 4.440 2.105 2.033 2.167 . 0 0 "[ . 1 . 2]" 1
447 1 43 THR MG 1 45 ALA H 3.110 . 4.420 1.812 1.770 1.900 0.030 19 0 "[ . 1 . 2]" 1
448 1 43 THR MG 1 46 GLU QB 3.190 . 4.590 3.882 3.413 4.257 . 0 0 "[ . 1 . 2]" 1
449 1 44 ARG H 1 44 ARG QB 2.750 . 3.690 2.342 2.246 2.573 . 0 0 "[ . 1 . 2]" 1
450 1 44 ARG H 1 45 ALA H 3.080 . 4.370 2.651 2.596 2.702 . 0 0 "[ . 1 . 2]" 1
451 1 44 ARG H 1 46 GLU H 2.980 . 4.170 4.069 4.006 4.146 . 0 0 "[ . 1 . 2]" 1
452 1 44 ARG HA 1 44 ARG QD 3.190 . 4.580 4.097 2.943 4.572 . 0 0 "[ . 1 . 2]" 1
453 1 44 ARG HA 1 47 PHE QB 3.550 . 5.300 2.536 2.371 2.736 . 0 0 "[ . 1 . 2]" 1
454 1 44 ARG QB 1 45 ALA H 2.940 . 3.540 2.670 2.533 3.587 0.047 19 0 "[ . 1 . 2]" 1
455 1 44 ARG QB 1 45 ALA HA 3.120 . 4.440 3.918 3.777 4.312 . 0 0 "[ . 1 . 2]" 1
456 1 44 ARG QB 1 45 ALA MB 3.150 . 4.500 3.964 3.863 4.708 0.208 19 0 "[ . 1 . 2]" 1
457 1 44 ARG QB 1 47 PHE H 3.930 . 6.060 4.652 4.460 4.841 . 0 0 "[ . 1 . 2]" 1
458 1 44 ARG QB 1 48 VAL MG2 2.980 . 4.170 3.733 3.379 4.210 0.040 7 0 "[ . 1 . 2]" 1
459 1 45 ALA H 1 45 ALA MB 2.520 . 3.240 2.275 2.263 2.278 . 0 0 "[ . 1 . 2]" 1
460 1 45 ALA H 1 46 GLU H 2.710 . 3.620 2.654 2.598 2.711 . 0 0 "[ . 1 . 2]" 1
461 1 45 ALA HA 1 48 VAL H 3.020 . 4.240 3.357 3.273 3.453 . 0 0 "[ . 1 . 2]" 1
462 1 45 ALA HA 1 48 VAL HB 2.870 . 3.940 2.821 2.741 2.916 . 0 0 "[ . 1 . 2]" 1
463 1 45 ALA HA 1 48 VAL MG1 3.310 . 4.820 4.311 4.242 4.403 . 0 0 "[ . 1 . 2]" 1
464 1 45 ALA HA 1 48 VAL MG2 2.980 . 4.160 3.087 2.819 3.374 . 0 0 "[ . 1 . 2]" 1
465 1 45 ALA MB 1 46 GLU H 2.610 . 3.420 2.621 2.590 2.647 . 0 0 "[ . 1 . 2]" 1
466 1 45 ALA MB 1 47 PHE H 3.340 . 4.880 4.476 4.424 4.536 . 0 0 "[ . 1 . 2]" 1
467 1 45 ALA MB 1 48 VAL HB 3.130 . 4.460 4.145 4.046 4.256 . 0 0 "[ . 1 . 2]" 1
468 1 45 ALA MB 1 49 ARG H 3.320 . 4.840 4.392 4.333 4.519 . 0 0 "[ . 1 . 2]" 1
469 1 46 GLU H 1 46 GLU QB 2.690 . 3.570 2.342 2.264 2.400 . 0 0 "[ . 1 . 2]" 1
470 1 46 GLU H 1 47 PHE H 2.750 . 3.690 2.604 2.570 2.652 . 0 0 "[ . 1 . 2]" 1
471 1 46 GLU H 1 48 VAL H 3.480 . 5.160 4.227 4.179 4.273 . 0 0 "[ . 1 . 2]" 1
472 1 46 GLU QB 1 47 PHE H 2.790 . 3.780 2.776 2.719 2.838 . 0 0 "[ . 1 . 2]" 1
473 1 46 GLU QB 1 47 PHE QB 3.150 . 4.500 4.080 4.001 4.166 . 0 0 "[ . 1 . 2]" 1
474 1 47 PHE H 1 47 PHE QB 2.470 . 3.140 2.286 2.260 2.307 . 0 0 "[ . 1 . 2]" 1
475 1 47 PHE H 1 48 VAL H 2.860 . 3.920 2.624 2.601 2.653 . 0 0 "[ . 1 . 2]" 1
476 1 47 PHE H 1 50 LYS QB 4.020 . 6.240 5.071 4.828 5.365 . 0 0 "[ . 1 . 2]" 1
477 1 47 PHE HA 1 47 PHE QD 2.790 . 3.770 2.720 2.575 2.796 . 0 0 "[ . 1 . 2]" 1
478 1 47 PHE QB 1 48 VAL MG2 3.570 . 5.340 3.258 3.072 3.370 . 0 0 "[ . 1 . 2]" 1
479 1 47 PHE QD 1 48 VAL MG2 2.690 . 3.570 2.786 2.554 3.075 . 0 0 "[ . 1 . 2]" 1
480 1 48 VAL H 1 48 VAL HB 2.610 . 3.420 2.450 2.436 2.465 . 0 0 "[ . 1 . 2]" 1
481 1 48 VAL H 1 48 VAL MG1 2.830 . 3.860 3.767 3.758 3.777 . 0 0 "[ . 1 . 2]" 1
482 1 48 VAL H 1 48 VAL MG2 2.610 . 3.420 2.286 2.161 2.394 . 0 0 "[ . 1 . 2]" 1
483 1 48 VAL H 1 49 ARG H 2.870 . 3.930 2.712 2.688 2.738 . 0 0 "[ . 1 . 2]" 1
484 1 48 VAL H 1 50 LYS H 3.130 . 4.460 4.294 4.179 4.381 . 0 0 "[ . 1 . 2]" 1
485 1 48 VAL HA 1 48 VAL MG1 2.700 . 3.600 2.376 2.369 2.382 . 0 0 "[ . 1 . 2]" 1
486 1 48 VAL HA 1 48 VAL MG2 2.620 . 3.440 2.234 2.194 2.365 . 0 0 "[ . 1 . 2]" 1
487 1 48 VAL HA 1 50 LYS H 3.230 . 4.670 4.544 4.471 4.595 . 0 0 "[ . 1 . 2]" 1
488 1 48 VAL HA 1 51 LEU H 3.020 . 4.240 3.229 3.163 3.321 . 0 0 "[ . 1 . 2]" 1
489 1 48 VAL HA 1 51 LEU QB 3.110 . 3.620 2.415 2.297 2.666 . 0 0 "[ . 1 . 2]" 1
490 1 48 VAL HA 1 51 LEU QD 2.980 . 4.170 3.138 2.423 3.906 . 0 0 "[ . 1 . 2]" 1
491 1 48 VAL HA 1 51 LEU HG 3.240 . 4.680 4.246 3.177 4.794 0.114 14 0 "[ . 1 . 2]" 1
492 1 48 VAL HA 1 52 ARG H 3.180 . 4.560 3.898 3.737 4.168 . 0 0 "[ . 1 . 2]" 1
493 1 48 VAL HB 1 49 ARG H 2.750 . 3.690 2.654 2.617 2.688 . 0 0 "[ . 1 . 2]" 1
494 1 48 VAL HB 1 49 ARG HA 3.240 . 4.680 4.268 4.251 4.295 . 0 0 "[ . 1 . 2]" 1
495 1 48 VAL MG1 1 49 ARG H 2.890 . 3.980 3.383 3.346 3.409 . 0 0 "[ . 1 . 2]" 1
496 1 48 VAL MG1 1 49 ARG HA 3.150 . 4.500 3.274 3.225 3.315 . 0 0 "[ . 1 . 2]" 1
497 1 48 VAL MG1 1 49 ARG QG 3.520 . 5.240 5.032 4.952 5.146 . 0 0 "[ . 1 . 2]" 1
498 1 48 VAL MG1 1 52 ARG H 3.270 . 4.740 3.592 3.507 3.749 . 0 0 "[ . 1 . 2]" 1
499 1 48 VAL MG1 1 52 ARG QD 3.270 . 3.940 2.690 2.178 3.170 . 0 0 "[ . 1 . 2]" 1
500 1 48 VAL MG1 1 52 ARG QG 2.870 . 3.930 2.356 2.225 2.568 . 0 0 "[ . 1 . 2]" 1
501 1 48 VAL MG1 1 57 ASP QB 4.950 . 8.100 8.074 7.760 8.196 0.096 3 0 "[ . 1 . 2]" 1
502 1 48 VAL MG2 1 49 ARG H 2.960 . 4.130 3.963 3.946 3.981 . 0 0 "[ . 1 . 2]" 1
503 1 49 ARG H 1 49 ARG QB 2.420 . 3.030 2.254 2.238 2.274 . 0 0 "[ . 1 . 2]" 1
504 1 49 ARG H 1 49 ARG QG 3.200 . 4.040 3.986 3.979 3.999 . 0 0 "[ . 1 . 2]" 1
505 1 49 ARG H 1 51 LEU H 3.020 . 4.240 4.056 3.979 4.133 . 0 0 "[ . 1 . 2]" 1
506 1 49 ARG HA 1 49 ARG QG 3.010 . 3.540 2.506 2.434 2.617 . 0 0 "[ . 1 . 2]" 1
507 1 49 ARG HA 1 52 ARG H 3.110 . 4.420 3.488 3.298 3.644 . 0 0 "[ . 1 . 2]" 1
508 1 49 ARG HA 1 52 ARG QB 3.000 . 4.200 2.880 2.685 3.036 . 0 0 "[ . 1 . 2]" 1
509 1 49 ARG HA 1 52 ARG QD 3.590 . 4.630 3.220 2.604 4.279 . 0 0 "[ . 1 . 2]" 1
510 1 49 ARG QB 1 49 ARG QD 2.500 . 3.200 2.284 2.185 2.380 . 0 0 "[ . 1 . 2]" 1
511 1 49 ARG QD 1 50 LYS QD 3.300 . 4.800 4.785 3.734 5.009 0.209 8 0 "[ . 1 . 2]" 1
512 1 49 ARG QG 1 50 LYS H 2.620 . 3.440 3.525 3.459 3.585 0.145 12 0 "[ . 1 . 2]" 1
513 1 49 ARG QG 1 50 LYS HA 3.310 . 4.820 3.393 3.321 3.473 . 0 0 "[ . 1 . 2]" 1
514 1 49 ARG QG 1 50 LYS QB 4.250 . 6.700 4.825 4.748 4.958 . 0 0 "[ . 1 . 2]" 1
515 1 49 ARG QG 1 53 VAL QG 3.040 . 4.280 2.502 2.345 2.612 . 0 0 "[ . 1 . 2]" 1
516 1 50 LYS H 1 50 LYS QB 2.630 . 3.460 2.307 2.130 2.453 . 0 0 "[ . 1 . 2]" 1
517 1 50 LYS H 1 50 LYS QE 3.430 . 5.060 4.532 2.791 5.105 0.045 11 0 "[ . 1 . 2]" 1
518 1 50 LYS H 1 50 LYS QG 2.620 . 3.440 2.772 2.257 3.646 0.206 18 0 "[ . 1 . 2]" 1
519 1 50 LYS H 1 51 LEU H 2.770 . 3.730 2.692 2.620 2.774 . 0 0 "[ . 1 . 2]" 1
520 1 50 LYS H 1 52 ARG H 3.070 . 4.340 4.232 4.185 4.252 . 0 0 "[ . 1 . 2]" 1
521 1 50 LYS HA 1 50 LYS QD 3.150 . 4.500 3.504 2.129 4.063 . 0 0 "[ . 1 . 2]" 1
522 1 50 LYS HA 1 50 LYS QG 2.860 . 3.410 2.370 2.068 2.895 . 0 0 "[ . 1 . 2]" 1
523 1 50 LYS HA 1 52 ARG H 3.360 . 4.920 4.410 4.274 4.492 . 0 0 "[ . 1 . 2]" 1
524 1 50 LYS HA 1 53 VAL H 2.850 . 3.910 3.250 3.170 3.372 . 0 0 "[ . 1 . 2]" 1
525 1 50 LYS HA 1 53 VAL QG 3.260 . 3.650 2.743 2.587 2.948 . 0 0 "[ . 1 . 2]" 1
526 1 50 LYS HA 1 54 ILE MD 3.420 . 5.040 4.129 3.975 4.328 . 0 0 "[ . 1 . 2]" 1
527 1 50 LYS QB 1 53 VAL QG 3.460 . 5.130 4.299 4.124 4.448 . 0 0 "[ . 1 . 2]" 1
528 1 50 LYS QB 1 54 ILE MD 2.760 . 3.720 2.523 2.333 2.710 . 0 0 "[ . 1 . 2]" 1
529 1 50 LYS QE 1 50 LYS QG 2.560 . 3.330 2.279 2.179 2.398 . 0 0 "[ . 1 . 2]" 1
530 1 50 LYS QE 1 53 VAL QG 4.620 . 7.440 5.226 4.022 5.749 . 0 0 "[ . 1 . 2]" 1
531 1 50 LYS QE 1 54 ILE MD 3.640 . 5.480 5.442 4.380 5.622 0.142 16 0 "[ . 1 . 2]" 1
532 1 50 LYS QG 1 53 VAL QG 3.270 . 4.740 3.872 3.612 4.595 . 0 0 "[ . 1 . 2]" 1
533 1 51 LEU H 1 51 LEU QB 2.750 . 3.230 2.284 2.154 2.431 . 0 0 "[ . 1 . 2]" 1
534 1 51 LEU H 1 51 LEU QD 3.210 . 4.630 3.415 2.411 3.753 . 0 0 "[ . 1 . 2]" 1
535 1 51 LEU H 1 51 LEU HG 3.170 . 4.540 3.849 2.400 4.447 . 0 0 "[ . 1 . 2]" 1
536 1 51 LEU H 1 52 ARG H 2.780 . 3.760 2.662 2.632 2.694 . 0 0 "[ . 1 . 2]" 1
537 1 51 LEU H 1 53 VAL H 3.270 . 4.750 4.082 4.028 4.166 . 0 0 "[ . 1 . 2]" 1
538 1 51 LEU H 1 54 ILE MD 3.410 . 5.020 4.160 4.095 4.238 . 0 0 "[ . 1 . 2]" 1
539 1 51 LEU HA 1 51 LEU QD 2.820 . 3.840 2.149 1.922 2.228 . 0 0 "[ . 1 . 2]" 1
540 1 51 LEU HA 1 54 ILE H 2.850 . 3.890 3.255 3.154 3.317 . 0 0 "[ . 1 . 2]" 1
541 1 51 LEU HA 1 54 ILE HB 3.060 . 4.330 2.599 2.453 2.692 . 0 0 "[ . 1 . 2]" 1
542 1 51 LEU HA 1 54 ILE MD 3.000 . 4.200 2.418 2.283 2.540 . 0 0 "[ . 1 . 2]" 1
543 1 51 LEU HA 1 55 VAL H 3.160 . 4.520 3.769 3.628 4.007 . 0 0 "[ . 1 . 2]" 1
544 1 51 LEU QB 1 52 ARG H 2.930 . 3.540 2.593 2.524 2.700 . 0 0 "[ . 1 . 2]" 1
545 1 51 LEU QB 1 52 ARG HA 3.130 . 4.460 3.947 3.708 4.094 . 0 0 "[ . 1 . 2]" 1
546 1 51 LEU QB 1 52 ARG QG 2.800 . 3.800 3.419 3.357 3.531 . 0 0 "[ . 1 . 2]" 1
547 1 51 LEU QB 1 53 VAL H 3.570 . 5.340 4.727 4.679 4.756 . 0 0 "[ . 1 . 2]" 1
548 1 51 LEU QD 1 52 ARG H 3.120 . 4.450 4.023 3.924 4.223 . 0 0 "[ . 1 . 2]" 1
549 1 51 LEU HG 1 52 ARG H 3.390 . 4.980 4.150 3.744 5.110 0.130 15 0 "[ . 1 . 2]" 1
550 1 52 ARG H 1 52 ARG QB 2.550 . 3.300 2.422 2.411 2.453 . 0 0 "[ . 1 . 2]" 1
551 1 52 ARG H 1 52 ARG QD 3.650 . 4.720 3.999 3.715 4.385 . 0 0 "[ . 1 . 2]" 1
552 1 52 ARG H 1 52 ARG QG 2.640 . 3.480 2.374 2.337 2.407 . 0 0 "[ . 1 . 2]" 1
553 1 52 ARG H 1 53 VAL H 2.900 . 4.000 2.691 2.666 2.715 . 0 0 "[ . 1 . 2]" 1
554 1 52 ARG H 1 55 VAL H 3.560 . 5.330 4.758 4.640 4.828 . 0 0 "[ . 1 . 2]" 1
555 1 52 ARG H 1 55 VAL QG 3.240 . 4.680 4.135 3.920 4.604 . 0 0 "[ . 1 . 2]" 1
556 1 52 ARG HA 1 52 ARG QD 3.650 . 5.500 4.131 4.045 4.268 . 0 0 "[ . 1 . 2]" 1
557 1 52 ARG HA 1 52 ARG QG 2.970 . 4.140 2.396 2.363 2.442 . 0 0 "[ . 1 . 2]" 1
558 1 52 ARG HA 1 55 VAL QG 2.690 . 3.580 2.302 2.068 3.463 . 0 0 "[ . 1 . 2]" 1
559 1 52 ARG HA 1 56 GLY H 2.980 . 4.160 3.465 3.354 3.671 . 0 0 "[ . 1 . 2]" 1
560 1 52 ARG HA 1 60 LEU QD 4.000 . 6.200 3.162 2.419 3.354 . 0 0 "[ . 1 . 2]" 1
561 1 52 ARG QB 1 53 VAL H 2.810 . 3.810 2.641 2.586 2.672 . 0 0 "[ . 1 . 2]" 1
562 1 52 ARG QB 1 53 VAL QG 3.050 . 4.300 3.183 3.068 3.256 . 0 0 "[ . 1 . 2]" 1
563 1 52 ARG QB 1 55 VAL QG 3.240 . 4.680 3.872 3.625 4.761 0.081 2 0 "[ . 1 . 2]" 1
564 1 52 ARG QB 1 56 GLY H 4.570 . 7.640 4.333 4.262 4.437 . 0 0 "[ . 1 . 2]" 1
565 1 52 ARG QG 1 55 VAL QG 3.230 . 4.660 3.645 3.422 4.392 . 0 0 "[ . 1 . 2]" 1
566 1 53 VAL H 1 53 VAL HB 2.720 . 3.640 2.448 2.439 2.456 . 0 0 "[ . 1 . 2]" 1
567 1 53 VAL H 1 53 VAL QG 2.820 . 3.180 2.318 2.189 2.373 . 0 0 "[ . 1 . 2]" 1
568 1 53 VAL H 1 54 ILE H 2.650 . 3.500 2.676 2.653 2.701 . 0 0 "[ . 1 . 2]" 1
569 1 53 VAL H 1 54 ILE HB 3.650 . 5.500 4.786 4.758 4.819 . 0 0 "[ . 1 . 2]" 1
570 1 53 VAL H 1 54 ILE MD 3.350 . 4.900 5.008 4.967 5.041 0.141 2 0 "[ . 1 . 2]" 1
571 1 53 VAL H 1 55 VAL H 3.470 . 5.140 4.380 4.275 4.430 . 0 0 "[ . 1 . 2]" 1
572 1 53 VAL H 1 55 VAL QG 3.520 . 5.240 4.495 4.252 5.172 . 0 0 "[ . 1 . 2]" 1
573 1 53 VAL HA 1 53 VAL QG 2.610 . 2.960 2.066 2.026 2.115 . 0 0 "[ . 1 . 2]" 1
574 1 53 VAL HB 1 54 ILE H 2.810 . 3.810 2.767 2.722 2.795 . 0 0 "[ . 1 . 2]" 1
575 1 53 VAL HB 1 54 ILE MD 3.280 . 4.860 4.419 4.363 4.495 . 0 0 "[ . 1 . 2]" 1
576 1 54 ILE H 1 54 ILE HB 2.720 . 3.640 2.323 2.307 2.336 . 0 0 "[ . 1 . 2]" 1
577 1 54 ILE H 1 54 ILE MD 2.580 . 3.360 3.375 3.358 3.397 0.037 17 0 "[ . 1 . 2]" 1
578 1 54 ILE H 1 54 ILE QG 2.840 . 3.880 2.398 2.361 2.451 . 0 0 "[ . 1 . 2]" 1
579 1 54 ILE H 1 55 VAL H 2.880 . 3.960 2.642 2.530 2.699 . 0 0 "[ . 1 . 2]" 1
580 1 54 ILE HA 1 54 ILE MD 3.230 . 4.660 3.863 3.856 3.872 . 0 0 "[ . 1 . 2]" 1
581 1 54 ILE HA 1 54 ILE QG 2.610 . 3.420 2.366 2.355 2.383 . 0 0 "[ . 1 . 2]" 1
582 1 54 ILE HA 1 54 ILE MG 2.610 . 3.420 2.409 2.387 2.429 . 0 0 "[ . 1 . 2]" 1
583 1 54 ILE HB 1 54 ILE MD 2.540 . 3.270 2.178 2.165 2.194 . 0 0 "[ . 1 . 2]" 1
584 1 54 ILE HB 1 55 VAL H 2.710 . 3.620 2.519 2.473 2.557 . 0 0 "[ . 1 . 2]" 1
585 1 54 ILE HB 1 55 VAL HA 3.220 . 4.640 4.356 4.246 4.400 . 0 0 "[ . 1 . 2]" 1
586 1 54 ILE MG 1 55 VAL HA 3.120 . 4.440 3.112 3.061 3.151 . 0 0 "[ . 1 . 2]" 1
587 1 54 ILE MG 1 55 VAL HB 3.220 . 4.640 4.121 3.583 4.754 0.114 6 0 "[ . 1 . 2]" 1
588 1 55 VAL H 1 55 VAL HB 2.690 . 3.580 2.839 2.329 3.628 0.048 16 0 "[ . 1 . 2]" 1
589 1 55 VAL H 1 55 VAL QG 3.170 . 3.450 2.076 1.869 2.347 . 0 0 "[ . 1 . 2]" 1
590 1 55 VAL H 1 56 GLY H 2.650 . 3.500 2.591 2.534 2.703 . 0 0 "[ . 1 . 2]" 1
591 1 55 VAL HA 1 55 VAL QG 3.010 . 4.220 2.160 2.033 2.258 . 0 0 "[ . 1 . 2]" 1
592 1 55 VAL HB 1 56 GLY H 2.980 . 4.170 3.898 2.658 4.154 . 0 0 "[ . 1 . 2]" 1
593 1 55 VAL HB 1 59 LEU H 4.590 . 7.380 5.821 4.626 6.631 . 0 0 "[ . 1 . 2]" 1
594 1 55 VAL HB 1 60 LEU QD 3.380 . 4.960 4.175 3.317 4.667 . 0 0 "[ . 1 . 2]" 1
595 1 55 VAL QG 1 56 GLY H 2.880 . 3.960 2.272 2.040 3.196 . 0 0 "[ . 1 . 2]" 1
596 1 55 VAL QG 1 57 ASP H 3.650 . 4.520 4.503 4.352 4.816 0.296 6 0 "[ . 1 . 2]" 1
597 1 55 VAL QG 1 60 LEU H 3.040 . 4.290 2.682 2.422 3.052 . 0 0 "[ . 1 . 2]" 1
598 1 55 VAL QG 1 60 LEU HA 2.890 . 3.980 2.715 2.326 3.040 . 0 0 "[ . 1 . 2]" 1
599 1 55 VAL QG 1 60 LEU QB 2.790 . 3.780 2.275 1.985 3.695 . 0 0 "[ . 1 . 2]" 1
600 1 56 GLY H 1 57 ASP H 2.990 . 4.180 4.096 3.960 4.191 0.011 20 0 "[ . 1 . 2]" 1
601 1 56 GLY H 1 57 ASP QB 4.430 . 7.060 5.889 5.463 6.052 . 0 0 "[ . 1 . 2]" 1
602 1 56 GLY QA 1 57 ASP H 2.650 . 3.040 2.250 2.225 2.272 . 0 0 "[ . 1 . 2]" 1
603 1 56 GLY QA 1 57 ASP HA 3.540 . 5.290 3.990 3.959 4.009 . 0 0 "[ . 1 . 2]" 1
604 1 56 GLY QA 1 58 ASP H 3.060 . 4.330 3.582 3.512 3.667 . 0 0 "[ . 1 . 2]" 1
605 1 56 GLY QA 1 59 LEU H 3.060 . 4.330 3.336 3.224 3.386 . 0 0 "[ . 1 . 2]" 1
606 1 57 ASP H 1 57 ASP QB 2.480 . 3.160 2.444 2.273 2.698 . 0 0 "[ . 1 . 2]" 1
607 1 57 ASP H 1 58 ASP H 2.920 . 4.040 2.753 2.708 2.794 . 0 0 "[ . 1 . 2]" 1
608 1 57 ASP H 1 60 LEU QD 3.510 . 5.220 5.057 4.057 5.262 0.042 11 0 "[ . 1 . 2]" 1
609 1 57 ASP H 1 60 LEU HG 4.650 . 7.500 7.301 4.651 7.531 0.031 7 0 "[ . 1 . 2]" 1
610 1 57 ASP HA 1 60 LEU H 3.100 . 4.410 3.003 2.952 3.066 . 0 0 "[ . 1 . 2]" 1
611 1 57 ASP HA 1 60 LEU HA 3.650 . 5.500 4.899 4.811 5.015 . 0 0 "[ . 1 . 2]" 1
612 1 57 ASP HA 1 60 LEU QB 2.880 . 3.960 2.257 2.152 2.733 . 0 0 "[ . 1 . 2]" 1
613 1 57 ASP HA 1 60 LEU QD 2.730 . 3.660 3.079 2.136 3.329 . 0 0 "[ . 1 . 2]" 1
614 1 57 ASP HA 1 61 ARG H 3.210 . 4.620 3.843 3.672 4.535 . 0 0 "[ . 1 . 2]" 1
615 1 57 ASP QB 1 60 LEU H 3.570 . 5.340 4.583 4.503 4.757 . 0 0 "[ . 1 . 2]" 1
616 1 57 ASP QB 1 60 LEU QB 4.700 . 7.600 3.845 3.627 4.447 . 0 0 "[ . 1 . 2]" 1
617 1 57 ASP QB 1 60 LEU QD 2.990 . 4.180 4.154 3.434 4.294 0.114 16 0 "[ . 1 . 2]" 1
618 1 57 ASP QB 1 61 ARG H 4.390 . 6.980 4.536 4.265 5.555 . 0 0 "[ . 1 . 2]" 1
619 1 58 ASP H 1 58 ASP QB 2.420 . 3.030 2.446 2.408 2.621 . 0 0 "[ . 1 . 2]" 1
620 1 58 ASP H 1 59 LEU HB2 3.460 . 5.120 4.967 4.826 5.177 0.057 7 0 "[ . 1 . 2]" 1
621 1 58 ASP HA 1 61 ARG H 3.150 . 4.500 3.804 3.715 3.865 . 0 0 "[ . 1 . 2]" 1
622 1 58 ASP HA 1 61 ARG QB 3.150 . 4.500 3.321 3.153 3.636 . 0 0 "[ . 1 . 2]" 1
623 1 58 ASP QB 1 59 LEU H 2.650 . 3.500 3.266 3.155 3.752 0.252 8 0 "[ . 1 . 2]" 1
624 1 58 ASP QB 1 59 LEU HB2 3.080 . 4.370 4.295 4.010 4.573 0.203 8 0 "[ . 1 . 2]" 1
625 1 58 ASP QB 1 60 LEU H 3.570 . 5.340 4.825 4.732 5.160 . 0 0 "[ . 1 . 2]" 1
626 1 59 LEU H 1 59 LEU HB2 2.480 . 3.160 2.538 2.382 2.949 . 0 0 "[ . 1 . 2]" 1
627 1 59 LEU H 1 59 LEU QD 2.850 . 3.890 3.647 2.924 3.906 0.016 20 0 "[ . 1 . 2]" 1
628 1 59 LEU H 1 59 LEU HG 3.270 . 4.740 4.077 3.245 4.800 0.060 3 0 "[ . 1 . 2]" 1
629 1 59 LEU H 1 60 LEU H 2.750 . 3.700 1.869 1.817 1.970 . 0 0 "[ . 1 . 2]" 1
630 1 59 LEU H 1 60 LEU QB 3.360 . 4.920 3.725 3.669 4.057 . 0 0 "[ . 1 . 2]" 1
631 1 59 LEU HA 1 59 LEU QD 2.680 . 3.560 2.361 1.942 2.950 . 0 0 "[ . 1 . 2]" 1
632 1 59 LEU HA 1 61 ARG H 3.380 . 4.960 4.145 3.983 4.363 . 0 0 "[ . 1 . 2]" 1
633 1 59 LEU HA 1 62 SER H 3.020 . 4.250 3.133 3.008 3.279 . 0 0 "[ . 1 . 2]" 1
634 1 59 LEU HB2 1 59 LEU QD 2.460 . 3.110 2.218 2.026 2.352 . 0 0 "[ . 1 . 2]" 1
635 1 59 LEU HB3 1 59 LEU QD 2.440 . 3.070 2.155 2.036 2.338 . 0 0 "[ . 1 . 2]" 1
636 1 59 LEU HB3 1 60 LEU H 2.710 . 3.610 3.345 2.857 3.763 0.153 5 0 "[ . 1 . 2]" 1
637 1 59 LEU QD 1 60 LEU H 3.270 . 4.740 4.102 3.765 4.321 . 0 0 "[ . 1 . 2]" 1
638 1 59 LEU QD 1 60 LEU HA 3.300 . 4.910 4.379 3.356 5.033 0.123 12 0 "[ . 1 . 2]" 1
639 1 59 LEU QD 1 61 ARG H 3.440 . 5.080 5.129 4.877 5.300 0.220 6 0 "[ . 1 . 2]" 1
640 1 59 LEU QD 1 62 SER H 3.240 . 4.680 4.205 3.870 4.517 . 0 0 "[ . 1 . 2]" 1
641 1 59 LEU QD 1 62 SER QB 3.110 . 4.420 2.823 2.248 3.190 . 0 0 "[ . 1 . 2]" 1
642 1 59 LEU QD 1 63 THR H 3.110 . 4.420 4.023 3.264 4.546 0.126 15 0 "[ . 1 . 2]" 1
643 1 60 LEU H 1 60 LEU QB 2.830 . 3.330 2.264 2.245 2.422 . 0 0 "[ . 1 . 2]" 1
644 1 60 LEU H 1 60 LEU QD 3.390 . 4.000 3.694 3.189 3.734 . 0 0 "[ . 1 . 2]" 1
645 1 60 LEU H 1 61 ARG H 2.810 . 3.820 2.602 2.551 2.657 . 0 0 "[ . 1 . 2]" 1
646 1 60 LEU H 1 61 ARG QB 3.380 . 4.960 4.472 4.338 4.688 . 0 0 "[ . 1 . 2]" 1
647 1 60 LEU HA 1 60 LEU QD 3.000 . 3.420 2.221 2.132 2.244 . 0 0 "[ . 1 . 2]" 1
648 1 60 LEU HA 1 60 LEU HG 2.950 . 4.100 3.078 2.909 3.100 . 0 0 "[ . 1 . 2]" 1
649 1 60 LEU HA 1 63 THR HB 2.970 . 4.140 2.687 2.485 2.817 . 0 0 "[ . 1 . 2]" 1
650 1 60 LEU HA 1 63 THR MG 3.260 . 4.720 4.164 3.952 4.278 . 0 0 "[ . 1 . 2]" 1
651 1 60 LEU QB 1 60 LEU QD 2.840 . 2.840 1.950 1.903 1.967 . 0 0 "[ . 1 . 2]" 1
652 1 60 LEU QB 1 61 ARG H 2.790 . 3.770 2.594 2.499 2.657 . 0 0 "[ . 1 . 2]" 1
653 1 60 LEU QD 1 61 ARG H 2.880 . 3.960 4.010 3.932 4.144 0.184 13 0 "[ . 1 . 2]" 1
654 1 60 LEU QD 1 61 ARG QB 3.560 . 5.320 4.868 4.568 5.485 0.165 13 0 "[ . 1 . 2]" 1
655 1 60 LEU HG 1 61 ARG H 3.150 . 4.500 3.895 3.744 4.469 . 0 0 "[ . 1 . 2]" 1
656 1 61 ARG H 1 61 ARG QB 2.450 . 3.100 2.327 2.256 2.468 . 0 0 "[ . 1 . 2]" 1
657 1 61 ARG H 1 62 SER H 2.760 . 3.720 2.764 2.705 2.821 . 0 0 "[ . 1 . 2]" 1
658 1 61 ARG H 1 64 ILE MG 3.990 . 6.180 6.215 6.121 6.279 0.099 6 0 "[ . 1 . 2]" 1
659 1 61 ARG HA 1 61 ARG QG 2.710 . 3.610 2.473 2.397 2.894 . 0 0 "[ . 1 . 2]" 1
660 1 61 ARG HA 1 63 THR H 3.310 . 4.820 4.452 4.405 4.498 . 0 0 "[ . 1 . 2]" 1
661 1 61 ARG HA 1 64 ILE HB 3.070 . 4.340 2.524 2.406 2.629 . 0 0 "[ . 1 . 2]" 1
662 1 61 ARG HA 1 64 ILE MD 2.760 . 3.720 2.316 2.082 2.461 . 0 0 "[ . 1 . 2]" 1
663 1 61 ARG QB 1 61 ARG QD 2.560 . 3.320 2.272 2.207 2.399 . 0 0 "[ . 1 . 2]" 1
664 1 61 ARG QB 1 62 SER H 2.600 . 3.400 2.570 2.497 2.640 . 0 0 "[ . 1 . 2]" 1
665 1 61 ARG QB 1 63 THR H 3.570 . 5.340 4.786 4.738 4.838 . 0 0 "[ . 1 . 2]" 1
666 1 61 ARG QB 1 64 ILE MG 4.300 . 6.800 5.256 4.900 5.493 . 0 0 "[ . 1 . 2]" 1
667 1 61 ARG QD 1 62 SER H 3.720 . 5.640 4.791 4.611 5.231 . 0 0 "[ . 1 . 2]" 1
668 1 61 ARG QG 1 62 SER H 3.020 . 4.240 3.886 3.663 4.240 0.000 2 0 "[ . 1 . 2]" 1
669 1 61 ARG QG 1 64 ILE HB 3.420 . 5.040 3.948 3.609 4.960 . 0 0 "[ . 1 . 2]" 1
670 1 61 ARG QG 1 64 ILE MD 2.830 . 3.860 3.616 3.135 3.980 0.120 18 0 "[ . 1 . 2]" 1
671 1 62 SER H 1 62 SER QB 2.510 . 3.220 2.412 2.302 2.501 . 0 0 "[ . 1 . 2]" 1
672 1 62 SER H 1 63 THR H 2.740 . 3.680 2.758 2.727 2.817 . 0 0 "[ . 1 . 2]" 1
673 1 62 SER HA 1 66 THR HA 4.410 . 7.020 6.165 5.992 6.378 . 0 0 "[ . 1 . 2]" 1
674 1 62 SER QB 1 63 THR H 2.810 . 3.830 2.591 2.558 2.623 . 0 0 "[ . 1 . 2]" 1
675 1 63 THR H 1 63 THR HB 2.700 . 3.600 2.547 2.517 2.561 . 0 0 "[ . 1 . 2]" 1
676 1 63 THR H 1 63 THR MG 2.970 . 4.140 3.772 3.754 3.777 . 0 0 "[ . 1 . 2]" 1
677 1 63 THR H 1 64 ILE H 2.840 . 3.880 2.748 2.706 2.810 . 0 0 "[ . 1 . 2]" 1
678 1 63 THR H 1 64 ILE HB 3.650 . 5.500 4.831 4.807 4.872 . 0 0 "[ . 1 . 2]" 1
679 1 63 THR H 1 64 ILE MD 3.480 . 5.160 5.206 5.185 5.235 0.075 6 0 "[ . 1 . 2]" 1
680 1 63 THR HA 1 63 THR MG 2.690 . 3.570 2.288 2.272 2.299 . 0 0 "[ . 1 . 2]" 1
681 1 63 THR HA 1 66 THR HB 3.040 . 4.280 2.871 2.771 3.010 . 0 0 "[ . 1 . 2]" 1
682 1 63 THR HA 1 67 LEU QD 3.620 . 5.440 4.400 4.256 4.526 . 0 0 "[ . 1 . 2]" 1
683 1 63 THR HA 1 67 LEU HG 3.320 . 4.840 4.206 3.987 4.363 . 0 0 "[ . 1 . 2]" 1
684 1 63 THR HB 1 64 ILE H 2.900 . 4.000 2.520 2.444 2.561 . 0 0 "[ . 1 . 2]" 1
685 1 63 THR MG 1 64 ILE H 3.290 . 4.790 3.453 3.356 3.504 . 0 0 "[ . 1 . 2]" 1
686 1 63 THR MG 1 64 ILE QG 3.200 . 4.600 3.630 3.472 3.747 . 0 0 "[ . 1 . 2]" 1
687 1 63 THR MG 1 66 THR HB 2.980 . 4.160 3.466 3.361 3.623 . 0 0 "[ . 1 . 2]" 1
688 1 63 THR MG 1 67 LEU HB2 3.410 . 5.020 4.236 4.046 4.381 . 0 0 "[ . 1 . 2]" 1
689 1 63 THR MG 1 67 LEU QD 2.710 . 3.620 2.169 2.085 2.306 . 0 0 "[ . 1 . 2]" 1
690 1 63 THR MG 1 67 LEU HG 3.190 . 4.580 2.617 2.426 2.739 . 0 0 "[ . 1 . 2]" 1
691 1 64 ILE H 1 64 ILE HB 2.620 . 3.440 2.414 2.400 2.438 . 0 0 "[ . 1 . 2]" 1
692 1 64 ILE H 1 64 ILE MD 2.680 . 3.560 3.413 3.383 3.452 . 0 0 "[ . 1 . 2]" 1
693 1 64 ILE H 1 64 ILE QG 2.950 . 3.410 2.212 2.191 2.233 . 0 0 "[ . 1 . 2]" 1
694 1 64 ILE H 1 64 ILE MG 2.870 . 3.930 3.751 3.744 3.757 . 0 0 "[ . 1 . 2]" 1
695 1 64 ILE H 1 65 THR H 2.870 . 3.940 2.725 2.701 2.745 . 0 0 "[ . 1 . 2]" 1
696 1 64 ILE H 1 66 THR HB 3.650 . 5.500 5.394 5.329 5.465 . 0 0 "[ . 1 . 2]" 1
697 1 64 ILE HA 1 64 ILE MD 2.900 . 4.000 3.870 3.867 3.884 . 0 0 "[ . 1 . 2]" 1
698 1 64 ILE HA 1 64 ILE QG 2.920 . 4.040 2.389 2.385 2.411 . 0 0 "[ . 1 . 2]" 1
699 1 64 ILE HA 1 64 ILE MG 2.590 . 3.380 2.404 2.389 2.413 . 0 0 "[ . 1 . 2]" 1
700 1 64 ILE HA 1 67 LEU H 3.060 . 4.330 3.290 3.207 3.395 . 0 0 "[ . 1 . 2]" 1
701 1 64 ILE HA 1 67 LEU HB2 3.090 . 4.380 2.599 2.498 2.694 . 0 0 "[ . 1 . 2]" 1
702 1 64 ILE HA 1 67 LEU HB3 3.350 . 4.900 4.280 4.178 4.393 . 0 0 "[ . 1 . 2]" 1
703 1 64 ILE HB 1 64 ILE MD 2.650 . 3.500 2.300 2.199 2.333 . 0 0 "[ . 1 . 2]" 1
704 1 64 ILE HB 1 65 THR H 2.850 . 3.890 2.581 2.553 2.616 . 0 0 "[ . 1 . 2]" 1
705 1 64 ILE HB 1 65 THR HB 3.650 . 5.500 5.062 5.024 5.112 . 0 0 "[ . 1 . 2]" 1
706 1 64 ILE HB 1 65 THR MG 3.650 . 5.500 5.507 5.477 5.526 0.026 9 0 "[ . 1 . 2]" 1
707 1 64 ILE HB 1 66 THR H 3.650 . 5.500 5.049 5.015 5.105 . 0 0 "[ . 1 . 2]" 1
708 1 64 ILE HB 1 68 GLN QG 3.570 . 5.340 4.771 4.602 4.942 . 0 0 "[ . 1 . 2]" 1
709 1 64 ILE MD 1 65 THR H 3.070 . 4.340 4.452 4.413 4.478 0.138 11 0 "[ . 1 . 2]" 1
710 1 64 ILE QG 1 64 ILE MG 2.720 . 3.640 2.345 2.340 2.348 . 0 0 "[ . 1 . 2]" 1
711 1 64 ILE MG 1 65 THR H 2.850 . 3.900 3.267 3.227 3.310 . 0 0 "[ . 1 . 2]" 1
712 1 64 ILE MG 1 65 THR HA 3.000 . 4.210 3.154 3.128 3.174 . 0 0 "[ . 1 . 2]" 1
713 1 64 ILE MG 1 65 THR MG 3.210 . 4.630 4.658 4.622 4.678 0.048 18 0 "[ . 1 . 2]" 1
714 1 64 ILE MG 1 68 GLN H 3.550 . 5.300 3.671 3.574 3.805 . 0 0 "[ . 1 . 2]" 1
715 1 64 ILE MG 1 68 GLN QG 2.900 . 4.000 2.417 2.318 2.524 . 0 0 "[ . 1 . 2]" 1
716 1 65 THR H 1 65 THR HB 2.720 . 3.640 2.572 2.561 2.584 . 0 0 "[ . 1 . 2]" 1
717 1 65 THR H 1 65 THR MG 2.790 . 3.780 3.777 3.774 3.778 . 0 0 "[ . 1 . 2]" 1
718 1 65 THR H 1 66 THR H 2.980 . 4.160 2.770 2.750 2.805 . 0 0 "[ . 1 . 2]" 1
719 1 65 THR H 1 69 ASN QB 4.680 . 7.560 7.053 6.621 7.417 . 0 0 "[ . 1 . 2]" 1
720 1 65 THR HA 1 65 THR MG 2.560 . 3.320 2.285 2.278 2.291 . 0 0 "[ . 1 . 2]" 1
721 1 65 THR HA 1 68 GLN HB2 2.940 . 4.080 2.801 2.696 2.930 . 0 0 "[ . 1 . 2]" 1
722 1 65 THR HA 1 68 GLN QG 3.050 . 4.300 3.246 2.902 3.606 . 0 0 "[ . 1 . 2]" 1
723 1 65 THR HA 1 69 ASN HA 4.300 . 6.800 6.764 6.590 6.864 0.064 17 0 "[ . 1 . 2]" 1
724 1 65 THR MG 1 66 THR H 3.080 . 4.360 3.569 3.540 3.589 . 0 0 "[ . 1 . 2]" 1
725 1 65 THR MG 1 68 GLN HB2 3.260 . 4.720 3.452 3.360 3.622 . 0 0 "[ . 1 . 2]" 1
726 1 65 THR MG 1 68 GLN HB3 3.560 . 5.330 4.759 4.666 4.915 . 0 0 "[ . 1 . 2]" 1
727 1 65 THR MG 1 69 ASN HA 3.900 . 6.200 5.653 5.496 5.800 . 0 0 "[ . 1 . 2]" 1
728 1 66 THR H 1 66 THR HB 2.630 . 3.460 2.517 2.497 2.532 . 0 0 "[ . 1 . 2]" 1
729 1 66 THR H 1 66 THR MG 3.190 . 4.590 3.764 3.757 3.774 . 0 0 "[ . 1 . 2]" 1
730 1 66 THR H 1 67 LEU H 2.750 . 3.700 2.654 2.616 2.682 . 0 0 "[ . 1 . 2]" 1
731 1 66 THR H 1 67 LEU HB2 3.650 . 5.500 4.823 4.754 4.849 . 0 0 "[ . 1 . 2]" 1
732 1 66 THR H 1 68 GLN HB2 3.650 . 5.500 5.282 5.239 5.349 . 0 0 "[ . 1 . 2]" 1
733 1 66 THR HA 1 66 THR MG 2.560 . 3.330 2.292 2.283 2.305 . 0 0 "[ . 1 . 2]" 1
734 1 66 THR HA 1 69 ASN HA 4.770 . 7.740 5.637 5.493 5.861 . 0 0 "[ . 1 . 2]" 1
735 1 66 THR HB 1 67 LEU H 2.790 . 3.780 2.620 2.586 2.648 . 0 0 "[ . 1 . 2]" 1
736 1 66 THR MG 1 67 LEU H 2.940 . 4.080 3.536 3.506 3.557 . 0 0 "[ . 1 . 2]" 1
737 1 66 THR MG 1 67 LEU HA 3.170 . 4.540 3.440 3.398 3.464 . 0 0 "[ . 1 . 2]" 1
738 1 66 THR MG 1 67 LEU HB2 3.650 . 5.500 5.302 5.258 5.339 . 0 0 "[ . 1 . 2]" 1
739 1 66 THR MG 1 67 LEU QD 2.880 . 3.960 3.527 3.471 3.613 . 0 0 "[ . 1 . 2]" 1
740 1 66 THR MG 1 70 GLN QG 3.530 . 5.260 3.191 2.393 4.356 . 0 0 "[ . 1 . 2]" 1
741 1 67 LEU H 1 67 LEU HB2 2.750 . 3.690 2.464 2.450 2.476 . 0 0 "[ . 1 . 2]" 1
742 1 67 LEU H 1 67 LEU HB3 2.770 . 3.740 3.628 3.622 3.632 . 0 0 "[ . 1 . 2]" 1
743 1 67 LEU H 1 67 LEU QD 2.820 . 3.840 3.177 3.146 3.196 . 0 0 "[ . 1 . 2]" 1
744 1 67 LEU H 1 67 LEU HG 2.560 . 3.320 2.341 2.300 2.378 . 0 0 "[ . 1 . 2]" 1
745 1 67 LEU H 1 68 GLN H 2.720 . 3.640 2.743 2.707 2.796 . 0 0 "[ . 1 . 2]" 1
746 1 67 LEU HA 1 67 LEU QD 2.400 . 3.000 2.176 2.130 2.211 . 0 0 "[ . 1 . 2]" 1
747 1 67 LEU HA 1 70 GLN QG 3.090 . 4.380 2.958 2.009 3.988 . 0 0 "[ . 1 . 2]" 1
748 1 67 LEU HB2 1 68 GLN H 2.920 . 4.040 2.739 2.672 2.804 . 0 0 "[ . 1 . 2]" 1
749 1 67 LEU HB2 1 68 GLN HA 3.140 . 4.480 4.293 4.234 4.334 . 0 0 "[ . 1 . 2]" 1
750 1 67 LEU HB2 1 68 GLN QG 3.020 . 4.240 3.631 3.497 3.745 . 0 0 "[ . 1 . 2]" 1
751 1 67 LEU HB3 1 68 GLN H 3.190 . 4.580 3.690 3.652 3.726 . 0 0 "[ . 1 . 2]" 1
752 1 67 LEU QD 1 70 GLN QB 4.990 . 8.180 3.586 2.988 4.866 . 0 0 "[ . 1 . 2]" 1
753 1 68 GLN H 1 68 GLN HB2 2.540 . 3.280 2.463 2.438 2.495 . 0 0 "[ . 1 . 2]" 1
754 1 68 GLN H 1 68 GLN QG 2.790 . 3.780 2.377 2.343 2.406 . 0 0 "[ . 1 . 2]" 1
755 1 68 GLN H 1 69 ASN H 2.830 . 3.850 2.734 2.669 2.811 . 0 0 "[ . 1 . 2]" 1
756 1 68 GLN H 1 69 ASN QB 3.570 . 5.340 4.808 4.594 4.959 . 0 0 "[ . 1 . 2]" 1
757 1 68 GLN HA 1 68 GLN QG 2.710 . 3.610 2.633 2.422 2.931 . 0 0 "[ . 1 . 2]" 1
758 1 68 GLN HB2 1 69 ASN H 3.000 . 4.200 2.764 2.678 2.909 . 0 0 "[ . 1 . 2]" 1
759 1 69 ASN H 1 69 ASN QB 2.950 . 3.540 2.414 2.272 2.541 . 0 0 "[ . 1 . 2]" 1
760 1 70 GLN H 1 70 GLN QB 2.630 . 3.460 2.519 2.195 3.374 . 0 0 "[ . 1 . 2]" 1
761 1 70 GLN H 1 70 GLN QG 2.870 . 3.930 3.625 2.515 4.182 0.252 1 0 "[ . 1 . 2]" 1
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