NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
578936 |
2ru5   |
11548 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ru5
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 723
_Distance_constraint_stats_list.Viol_count 1866
_Distance_constraint_stats_list.Viol_total 2907.778
_Distance_constraint_stats_list.Viol_max 0.467
_Distance_constraint_stats_list.Viol_rms 0.0370
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0101
_Distance_constraint_stats_list.Viol_average_violations_only 0.0779
_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 15 PRO 3.438 0.115 12 0 "[ . 1 . 2]"
1 16 ALA 2.615 0.120 11 0 "[ . 1 . 2]"
1 17 LEU 0.523 0.186 16 0 "[ . 1 . 2]"
1 18 VAL 15.378 0.224 16 0 "[ . 1 . 2]"
1 19 GLN 6.218 0.224 16 0 "[ . 1 . 2]"
1 20 LEU 4.521 0.283 14 0 "[ . 1 . 2]"
1 21 LEU 7.152 0.307 10 0 "[ . 1 . 2]"
1 22 SER 5.059 0.307 10 0 "[ . 1 . 2]"
1 23 SER 4.235 0.211 1 0 "[ . 1 . 2]"
1 24 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ASN 18.459 0.427 1 0 "[ . 1 . 2]"
1 26 GLU 0.126 0.033 16 0 "[ . 1 . 2]"
1 27 GLN 5.673 0.390 16 0 "[ . 1 . 2]"
1 28 ILE 17.202 0.427 1 0 "[ . 1 . 2]"
1 29 LEU 5.596 0.190 18 0 "[ . 1 . 2]"
1 30 GLN 8.458 0.228 14 0 "[ . 1 . 2]"
1 31 GLU 1.128 0.098 1 0 "[ . 1 . 2]"
1 32 ALA 2.271 0.128 18 0 "[ . 1 . 2]"
1 33 LEU 6.699 0.192 18 0 "[ . 1 . 2]"
1 34 TRP 5.601 0.155 7 0 "[ . 1 . 2]"
1 35 ALA 1.245 0.111 10 0 "[ . 1 . 2]"
1 36 LEU 3.025 0.184 14 0 "[ . 1 . 2]"
1 37 SER 4.179 0.283 14 0 "[ . 1 . 2]"
1 38 ASN 1.340 0.129 12 0 "[ . 1 . 2]"
1 39 ILE 1.324 0.122 17 0 "[ . 1 . 2]"
1 40 ALA 0.421 0.077 9 0 "[ . 1 . 2]"
1 41 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLY 0.038 0.027 18 0 "[ . 1 . 2]"
1 43 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LYS 1.567 0.125 18 0 "[ . 1 . 2]"
1 48 GLN 4.372 0.467 12 0 "[ . 1 . 2]"
1 49 ALA 1.072 0.139 11 0 "[ . 1 . 2]"
1 50 VAL 4.435 0.467 12 0 "[ . 1 . 2]"
1 51 LYS 2.860 0.159 10 0 "[ . 1 . 2]"
1 52 GLU 6.049 0.214 14 0 "[ . 1 . 2]"
1 53 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLY 0.529 0.110 16 0 "[ . 1 . 2]"
1 55 ALA 3.696 0.167 9 0 "[ . 1 . 2]"
1 56 LEU 2.588 0.192 7 0 "[ . 1 . 2]"
1 57 GLU 0.300 0.128 2 0 "[ . 1 . 2]"
1 58 LYS 1.242 0.128 2 0 "[ . 1 . 2]"
1 59 LEU 0.425 0.104 8 0 "[ . 1 . 2]"
1 60 GLU 4.253 0.262 12 0 "[ . 1 . 2]"
1 61 GLN 3.678 0.143 4 0 "[ . 1 . 2]"
1 62 LEU 10.668 0.198 4 0 "[ . 1 . 2]"
1 63 GLN 3.496 0.198 4 0 "[ . 1 . 2]"
1 64 SER 0.101 0.042 10 0 "[ . 1 . 2]"
1 65 HIS 1.637 0.114 15 0 "[ . 1 . 2]"
1 66 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ASN 1.813 0.136 1 0 "[ . 1 . 2]"
1 68 GLU 1.488 0.136 1 0 "[ . 1 . 2]"
1 69 LYS 0.944 0.096 6 0 "[ . 1 . 2]"
1 70 ILE 6.128 0.186 16 0 "[ . 1 . 2]"
1 71 GLN 2.688 0.252 5 0 "[ . 1 . 2]"
1 72 LYS 1.644 0.252 5 0 "[ . 1 . 2]"
1 73 GLU 0.074 0.074 10 0 "[ . 1 . 2]"
1 74 ALA 0.958 0.126 18 0 "[ . 1 . 2]"
1 75 GLN 1.264 0.114 5 0 "[ . 1 . 2]"
1 76 GLU 0.336 0.214 3 0 "[ . 1 . 2]"
1 77 ALA 3.181 0.128 13 0 "[ . 1 . 2]"
1 78 LEU 4.753 0.207 12 0 "[ . 1 . 2]"
1 79 GLU 13.171 0.302 14 0 "[ . 1 . 2]"
1 80 LYS 10.606 0.255 17 0 "[ . 1 . 2]"
1 81 LEU 11.456 0.304 14 0 "[ . 1 . 2]"
1 82 GLN 3.044 0.147 14 0 "[ . 1 . 2]"
1 83 SER 0.108 0.029 2 0 "[ . 1 . 2]"
1 84 HIS 0.108 0.029 2 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 15 PRO CG 1 15 PRO N 2.340 . 2.340 2.330 2.313 2.348 0.008 14 0 "[ . 1 . 2]" 1
2 1 15 PRO HA 1 17 LEU H 4.450 . 4.450 4.024 3.707 4.364 . 0 0 "[ . 1 . 2]" 1
3 1 15 PRO HA 1 18 VAL H 4.460 . 4.460 3.318 3.136 3.515 . 0 0 "[ . 1 . 2]" 1
4 1 15 PRO HA 1 18 VAL HB 3.400 . 3.400 3.298 2.765 3.455 0.055 16 0 "[ . 1 . 2]" 1
5 1 15 PRO HA 1 18 VAL MG1 3.840 . 3.840 2.392 2.077 2.785 . 0 0 "[ . 1 . 2]" 1
6 1 15 PRO HA 1 18 VAL MG2 4.450 . 4.450 4.469 4.122 4.534 0.084 1 0 "[ . 1 . 2]" 1
7 1 15 PRO HA 1 53 ALA MB 2.780 . 2.780 2.011 1.856 2.292 . 0 0 "[ . 1 . 2]" 1
8 1 15 PRO HB2 1 53 ALA MB 4.800 . 4.800 4.236 3.631 4.751 . 0 0 "[ . 1 . 2]" 1
9 1 15 PRO HB3 1 16 ALA H 4.440 . 4.440 4.137 3.946 4.216 . 0 0 "[ . 1 . 2]" 1
10 1 15 PRO HB3 1 16 ALA HA 4.870 . 4.870 4.934 4.886 4.964 0.094 12 0 "[ . 1 . 2]" 1
11 1 15 PRO HB3 1 53 ALA MB 5.410 . 5.410 3.152 2.287 4.125 . 0 0 "[ . 1 . 2]" 1
12 1 15 PRO HD2 1 16 ALA H 5.140 . 5.140 2.918 2.347 3.298 . 0 0 "[ . 1 . 2]" 1
13 1 15 PRO HD2 1 18 VAL MG1 5.500 . 5.500 5.565 5.483 5.615 0.115 12 0 "[ . 1 . 2]" 1
14 1 15 PRO HD2 1 53 ALA MB 5.080 . 5.080 4.664 4.253 4.979 . 0 0 "[ . 1 . 2]" 1
15 1 15 PRO HD3 1 53 ALA MB 4.930 . 4.930 3.833 3.224 4.226 . 0 0 "[ . 1 . 2]" 1
16 1 15 PRO HG2 1 53 ALA MB 5.140 . 5.140 4.417 3.628 5.092 . 0 0 "[ . 1 . 2]" 1
17 1 16 ALA H 1 16 ALA MB 3.660 . 3.660 2.253 2.208 2.292 . 0 0 "[ . 1 . 2]" 1
18 1 16 ALA H 1 17 LEU H 4.700 . 4.700 2.755 2.644 2.884 . 0 0 "[ . 1 . 2]" 1
19 1 16 ALA HA 1 17 LEU H 3.500 . 3.500 3.485 3.416 3.520 0.020 8 0 "[ . 1 . 2]" 1
20 1 16 ALA HA 1 19 GLN QB 3.000 . 3.000 2.732 2.454 2.940 . 0 0 "[ . 1 . 2]" 1
21 1 16 ALA HA 1 19 GLN QG 3.540 . 3.540 2.306 1.953 2.823 . 0 0 "[ . 1 . 2]" 1
22 1 16 ALA HA 1 20 LEU MD2 4.320 . 4.320 4.380 4.218 4.440 0.120 11 0 "[ . 1 . 2]" 1
23 1 16 ALA MB 1 17 LEU H 3.680 . 3.680 2.775 2.524 3.065 . 0 0 "[ . 1 . 2]" 1
24 1 16 ALA MB 1 19 GLN QB 4.180 . 4.180 3.924 3.538 4.142 . 0 0 "[ . 1 . 2]" 1
25 1 16 ALA MB 1 19 GLN QG 4.760 . 4.760 3.655 3.333 4.111 . 0 0 "[ . 1 . 2]" 1
26 1 17 LEU H 1 17 LEU QD 4.860 . 4.860 3.083 2.825 3.760 . 0 0 "[ . 1 . 2]" 1
27 1 17 LEU H 1 18 VAL H 4.170 . 4.170 2.481 2.305 2.600 . 0 0 "[ . 1 . 2]" 1
28 1 17 LEU HA 1 39 ILE QG 4.950 . 4.950 3.926 3.168 4.623 . 0 0 "[ . 1 . 2]" 1
29 1 17 LEU QB 1 18 VAL H 4.930 . 4.930 3.578 2.643 3.718 . 0 0 "[ . 1 . 2]" 1
30 1 17 LEU QB 1 39 ILE MD 3.360 . 3.360 2.863 2.021 3.325 . 0 0 "[ . 1 . 2]" 1
31 1 17 LEU QB 1 39 ILE QG 3.070 . 3.070 2.254 1.940 2.911 . 0 0 "[ . 1 . 2]" 1
32 1 17 LEU QB 1 39 ILE MG 3.780 . 3.780 2.631 1.874 3.499 . 0 0 "[ . 1 . 2]" 1
33 1 17 LEU QD 1 50 VAL H 5.500 . 5.500 3.491 3.081 4.769 . 0 0 "[ . 1 . 2]" 1
34 1 17 LEU QD 1 50 VAL HB 3.670 . 3.670 3.623 3.200 3.722 0.052 7 0 "[ . 1 . 2]" 1
35 1 17 LEU HG 1 18 VAL HA 4.820 . 4.820 4.683 3.952 5.006 0.186 16 0 "[ . 1 . 2]" 1
36 1 17 LEU HG 1 39 ILE MG 4.590 . 4.590 4.019 2.060 4.645 0.055 14 0 "[ . 1 . 2]" 1
37 1 18 VAL H 1 18 VAL HB 3.390 . 3.390 2.353 2.227 2.464 . 0 0 "[ . 1 . 2]" 1
38 1 18 VAL H 1 18 VAL MG1 3.370 . 3.370 2.585 2.394 2.857 . 0 0 "[ . 1 . 2]" 1
39 1 18 VAL H 1 18 VAL MG2 4.170 . 4.170 3.686 3.524 3.793 . 0 0 "[ . 1 . 2]" 1
40 1 18 VAL H 1 19 GLN H 3.610 . 3.610 2.234 2.166 2.322 . 0 0 "[ . 1 . 2]" 1
41 1 18 VAL HA 1 18 VAL MG1 3.020 . 3.020 3.125 3.073 3.169 0.149 14 0 "[ . 1 . 2]" 1
42 1 18 VAL HA 1 18 VAL MG2 3.030 . 3.030 2.168 2.092 2.266 . 0 0 "[ . 1 . 2]" 1
43 1 18 VAL HA 1 19 GLN HA 4.910 . 4.910 4.683 4.525 4.786 . 0 0 "[ . 1 . 2]" 1
44 1 18 VAL HA 1 19 GLN QG 5.470 . 5.470 5.361 5.172 5.494 0.024 7 0 "[ . 1 . 2]" 1
45 1 18 VAL HA 1 20 LEU H 5.070 . 5.070 4.196 3.946 4.578 . 0 0 "[ . 1 . 2]" 1
46 1 18 VAL HA 1 21 LEU H 4.120 . 4.120 3.634 3.162 3.958 . 0 0 "[ . 1 . 2]" 1
47 1 18 VAL HA 1 21 LEU HB2 4.500 . 4.500 3.081 2.454 3.571 . 0 0 "[ . 1 . 2]" 1
48 1 18 VAL HA 1 21 LEU QD 4.370 . 4.370 2.969 2.171 4.081 . 0 0 "[ . 1 . 2]" 1
49 1 18 VAL HA 1 55 ALA MB 5.480 . 5.480 4.377 4.043 4.613 . 0 0 "[ . 1 . 2]" 1
50 1 18 VAL HB 1 19 GLN H 3.640 . 3.640 3.678 3.567 3.728 0.088 1 0 "[ . 1 . 2]" 1
51 1 18 VAL HB 1 19 GLN HA 4.930 . 4.930 5.115 5.074 5.154 0.224 16 0 "[ . 1 . 2]" 1
52 1 18 VAL HB 1 53 ALA MB 4.770 . 4.770 2.440 2.013 2.850 . 0 0 "[ . 1 . 2]" 1
53 1 18 VAL HB 1 58 LYS QD 4.950 . 4.950 4.458 4.004 4.931 . 0 0 "[ . 1 . 2]" 1
54 1 18 VAL MG1 1 19 GLN QG 5.210 . 5.210 2.905 2.701 3.089 . 0 0 "[ . 1 . 2]" 1
55 1 18 VAL MG1 1 21 LEU HB3 4.550 . 4.550 4.599 4.146 4.766 0.216 3 0 "[ . 1 . 2]" 1
56 1 18 VAL MG1 1 53 ALA H 5.320 . 5.320 4.781 4.250 5.115 . 0 0 "[ . 1 . 2]" 1
57 1 18 VAL MG1 1 53 ALA HA 5.500 . 5.500 3.950 3.613 4.588 . 0 0 "[ . 1 . 2]" 1
58 1 18 VAL MG1 1 53 ALA MB 3.030 . 3.030 2.147 1.891 2.537 . 0 0 "[ . 1 . 2]" 1
59 1 18 VAL MG1 1 54 GLY H 4.180 . 4.180 4.157 3.801 4.290 0.110 16 0 "[ . 1 . 2]" 1
60 1 18 VAL MG1 1 54 GLY HA3 5.260 . 5.260 4.075 3.211 4.762 . 0 0 "[ . 1 . 2]" 1
61 1 18 VAL MG1 1 55 ALA HA 3.800 . 3.800 3.666 3.465 3.817 0.017 16 0 "[ . 1 . 2]" 1
62 1 18 VAL MG1 1 55 ALA MB 3.910 . 3.910 4.014 3.960 4.077 0.167 9 0 "[ . 1 . 2]" 1
63 1 18 VAL MG1 1 58 LYS HB3 4.950 . 4.950 3.985 3.401 4.660 . 0 0 "[ . 1 . 2]" 1
64 1 18 VAL MG1 1 58 LYS QG 5.170 . 5.170 2.287 1.921 3.817 . 0 0 "[ . 1 . 2]" 1
65 1 18 VAL MG2 1 19 GLN H 4.030 . 4.030 4.106 4.041 4.190 0.160 12 0 "[ . 1 . 2]" 1
66 1 18 VAL MG2 1 19 GLN QG 5.280 . 5.280 5.158 4.981 5.309 0.029 13 0 "[ . 1 . 2]" 1
67 1 18 VAL MG2 1 21 LEU HB2 3.310 . 3.310 3.093 2.771 3.345 0.035 10 0 "[ . 1 . 2]" 1
68 1 18 VAL MG2 1 21 LEU HB3 3.700 . 3.700 3.313 2.822 3.630 . 0 0 "[ . 1 . 2]" 1
69 1 18 VAL MG2 1 54 GLY H 5.020 . 5.020 3.872 3.513 4.159 . 0 0 "[ . 1 . 2]" 1
70 1 18 VAL MG2 1 54 GLY HA3 5.230 . 5.230 4.345 3.805 4.789 . 0 0 "[ . 1 . 2]" 1
71 1 18 VAL MG2 1 55 ALA H 5.500 . 5.500 2.992 2.759 3.401 . 0 0 "[ . 1 . 2]" 1
72 1 18 VAL MG2 1 55 ALA HA 3.550 . 3.550 2.008 1.892 2.229 . 0 0 "[ . 1 . 2]" 1
73 1 18 VAL MG2 1 55 ALA MB 4.880 . 4.880 2.130 2.002 2.214 . 0 0 "[ . 1 . 2]" 1
74 1 18 VAL MG2 1 58 LYS H 4.720 . 4.720 4.068 3.677 4.463 . 0 0 "[ . 1 . 2]" 1
75 1 18 VAL MG2 1 58 LYS HB2 4.050 . 4.050 2.565 2.121 3.272 . 0 0 "[ . 1 . 2]" 1
76 1 18 VAL MG2 1 58 LYS HB3 3.680 . 3.680 2.960 2.346 3.632 . 0 0 "[ . 1 . 2]" 1
77 1 18 VAL MG2 1 58 LYS QD 3.630 . 3.630 2.783 1.864 3.522 . 0 0 "[ . 1 . 2]" 1
78 1 18 VAL MG2 1 58 LYS QE 4.040 . 4.040 3.721 3.191 3.983 . 0 0 "[ . 1 . 2]" 1
79 1 18 VAL MG2 1 58 LYS QG 3.910 . 3.910 2.142 1.833 3.507 . 0 0 "[ . 1 . 2]" 1
80 1 19 GLN H 1 19 GLN QB 2.790 . 2.790 2.501 2.421 2.587 . 0 0 "[ . 1 . 2]" 1
81 1 19 GLN H 1 19 GLN QG 3.410 . 3.410 2.367 2.212 2.501 . 0 0 "[ . 1 . 2]" 1
82 1 19 GLN H 1 20 LEU H 3.190 . 3.190 2.869 2.635 3.087 . 0 0 "[ . 1 . 2]" 1
83 1 19 GLN H 1 20 LEU MD2 4.070 . 4.070 3.294 3.125 3.714 . 0 0 "[ . 1 . 2]" 1
84 1 19 GLN HA 1 19 GLN QG 3.260 . 3.260 2.765 2.263 2.892 . 0 0 "[ . 1 . 2]" 1
85 1 19 GLN QB 1 20 LEU H 3.640 . 3.640 2.711 2.415 2.932 . 0 0 "[ . 1 . 2]" 1
86 1 19 GLN QB 1 20 LEU MD2 3.380 . 3.380 3.210 2.820 3.410 0.030 15 0 "[ . 1 . 2]" 1
87 1 19 GLN QG 1 20 LEU H 4.620 . 4.620 4.240 3.941 4.375 . 0 0 "[ . 1 . 2]" 1
88 1 20 LEU H 1 20 LEU HB2 3.930 . 3.930 3.638 3.536 3.738 . 0 0 "[ . 1 . 2]" 1
89 1 20 LEU H 1 20 LEU HB3 3.020 . 3.020 2.853 2.694 3.005 . 0 0 "[ . 1 . 2]" 1
90 1 20 LEU H 1 20 LEU MD2 3.840 . 3.840 1.710 1.582 2.486 . 0 0 "[ . 1 . 2]" 1
91 1 20 LEU H 1 21 LEU QD 5.170 . 5.170 4.798 3.582 5.253 0.083 17 0 "[ . 1 . 2]" 1
92 1 20 LEU HA 1 23 SER HB3 3.770 . 3.770 2.941 2.340 3.798 0.028 8 0 "[ . 1 . 2]" 1
93 1 20 LEU HB2 1 20 LEU MD2 3.580 . 3.580 3.115 2.861 3.217 . 0 0 "[ . 1 . 2]" 1
94 1 20 LEU HB2 1 23 SER HB3 4.580 . 4.580 3.948 3.225 4.578 . 0 0 "[ . 1 . 2]" 1
95 1 20 LEU HB3 1 21 LEU H 4.940 . 4.940 4.364 4.090 4.481 . 0 0 "[ . 1 . 2]" 1
96 1 20 LEU MD1 1 36 LEU HB3 3.440 . 3.440 2.475 1.802 3.064 . 0 0 "[ . 1 . 2]" 1
97 1 20 LEU MD1 1 37 SER H 5.500 . 5.500 4.377 3.980 4.613 . 0 0 "[ . 1 . 2]" 1
98 1 20 LEU MD1 1 37 SER QB 4.610 . 4.610 4.749 4.610 4.893 0.283 14 0 "[ . 1 . 2]" 1
99 1 20 LEU MD2 1 21 LEU H 4.800 . 4.800 3.590 3.070 4.164 . 0 0 "[ . 1 . 2]" 1
100 1 20 LEU HG 1 21 LEU H 3.830 . 3.830 2.774 2.139 3.426 . 0 0 "[ . 1 . 2]" 1
101 1 21 LEU H 1 21 LEU HB2 4.010 . 4.010 1.968 1.724 2.278 . 0 0 "[ . 1 . 2]" 1
102 1 21 LEU H 1 21 LEU HB3 3.020 . 3.020 2.965 2.588 3.226 0.206 12 0 "[ . 1 . 2]" 1
103 1 21 LEU H 1 21 LEU QD . . 4.010 3.270 2.451 3.666 . 0 0 "[ . 1 . 2]" 1
104 1 21 LEU H 1 22 SER H 2.870 . 2.870 2.459 2.226 2.794 . 0 0 "[ . 1 . 2]" 1
105 1 21 LEU HA 1 21 LEU QD 2.950 . 2.950 2.027 1.903 2.686 . 0 0 "[ . 1 . 2]" 1
106 1 21 LEU HA 1 22 SER HA 4.530 . 4.530 4.421 4.264 4.525 . 0 0 "[ . 1 . 2]" 1
107 1 21 LEU HA 1 29 LEU QD 3.860 . 3.860 2.217 1.868 2.674 . 0 0 "[ . 1 . 2]" 1
108 1 21 LEU HB2 1 22 SER H 4.260 . 4.260 3.354 2.992 3.679 . 0 0 "[ . 1 . 2]" 1
109 1 21 LEU HB2 1 22 SER HA 4.840 . 4.840 4.992 4.869 5.147 0.307 10 0 "[ . 1 . 2]" 1
110 1 21 LEU HB2 1 29 LEU QD 4.590 . 4.590 4.373 3.962 4.683 0.093 18 0 "[ . 1 . 2]" 1
111 1 21 LEU HB3 1 22 SER H 3.850 . 3.850 3.166 2.482 3.872 0.022 3 0 "[ . 1 . 2]" 1
112 1 21 LEU HB3 1 22 SER HB2 4.900 . 4.900 4.010 3.216 4.867 . 0 0 "[ . 1 . 2]" 1
113 1 21 LEU QD 1 22 SER H 5.370 . 5.370 4.139 3.779 4.422 . 0 0 "[ . 1 . 2]" 1
114 1 22 SER H 1 22 SER HB2 3.270 . 3.270 2.903 2.396 3.380 0.110 14 0 "[ . 1 . 2]" 1
115 1 22 SER H 1 22 SER HB3 3.870 . 3.870 2.704 2.316 3.696 . 0 0 "[ . 1 . 2]" 1
116 1 22 SER H 1 23 SER H 3.090 . 3.090 2.605 2.301 3.019 . 0 0 "[ . 1 . 2]" 1
117 1 22 SER HA 1 61 GLN HG2 4.520 . 4.520 4.261 3.420 4.568 0.048 20 0 "[ . 1 . 2]" 1
118 1 22 SER HA 1 62 LEU H 4.390 . 4.390 3.562 3.170 3.863 . 0 0 "[ . 1 . 2]" 1
119 1 22 SER HA 1 62 LEU HB3 4.390 . 4.390 4.473 4.410 4.553 0.163 10 0 "[ . 1 . 2]" 1
120 1 22 SER HA 1 62 LEU QD 5.410 . 5.410 3.885 2.368 4.436 . 0 0 "[ . 1 . 2]" 1
121 1 22 SER HB2 1 61 GLN HG2 5.110 . 5.110 4.126 2.538 5.123 0.013 5 0 "[ . 1 . 2]" 1
122 1 22 SER HB3 1 58 LYS QE 4.740 . 4.740 3.810 2.946 4.511 . 0 0 "[ . 1 . 2]" 1
123 1 23 SER H 1 23 SER HB2 3.390 . 3.390 3.396 3.261 3.440 0.050 10 0 "[ . 1 . 2]" 1
124 1 23 SER H 1 23 SER HB3 3.160 . 3.160 2.422 2.272 2.708 . 0 0 "[ . 1 . 2]" 1
125 1 23 SER H 1 24 PRO QD 4.590 . 4.590 4.344 4.184 4.422 . 0 0 "[ . 1 . 2]" 1
126 1 23 SER H 1 28 ILE MD 4.680 . 4.680 4.628 4.115 4.891 0.211 1 0 "[ . 1 . 2]" 1
127 1 23 SER H 1 29 LEU HB2 5.250 . 5.250 4.016 3.727 4.259 . 0 0 "[ . 1 . 2]" 1
128 1 23 SER H 1 29 LEU QD . . 4.240 2.737 2.365 3.162 . 0 0 "[ . 1 . 2]" 1
129 1 23 SER H 1 29 LEU HG 5.220 . 5.220 4.994 3.551 5.382 0.162 6 0 "[ . 1 . 2]" 1
130 1 23 SER HA 1 24 PRO QB 5.090 . 5.090 4.580 4.523 4.652 . 0 0 "[ . 1 . 2]" 1
131 1 23 SER HA 1 24 PRO QD 2.870 . 2.870 2.079 1.854 2.150 . 0 0 "[ . 1 . 2]" 1
132 1 23 SER HA 1 24 PRO HG2 4.460 . 4.460 4.338 3.953 4.452 . 0 0 "[ . 1 . 2]" 1
133 1 23 SER HA 1 25 ASN H 4.320 . 4.320 3.657 2.956 3.914 . 0 0 "[ . 1 . 2]" 1
134 1 23 SER HA 1 28 ILE MD 4.960 . 4.960 3.637 2.440 4.488 . 0 0 "[ . 1 . 2]" 1
135 1 23 SER HA 1 29 LEU QD 5.050 . 5.050 4.553 4.065 4.911 . 0 0 "[ . 1 . 2]" 1
136 1 23 SER HB2 1 24 PRO QD 4.690 . 4.690 2.405 2.057 3.008 . 0 0 "[ . 1 . 2]" 1
137 1 23 SER HB2 1 24 PRO HG2 4.820 . 4.820 3.777 3.343 4.048 . 0 0 "[ . 1 . 2]" 1
138 1 23 SER HB2 1 24 PRO HG3 5.280 . 5.280 4.630 4.182 4.998 . 0 0 "[ . 1 . 2]" 1
139 1 23 SER HB2 1 25 ASN H 4.520 . 4.520 2.443 2.101 3.029 . 0 0 "[ . 1 . 2]" 1
140 1 23 SER HB2 1 28 ILE MD 4.180 . 4.180 2.362 2.006 3.560 . 0 0 "[ . 1 . 2]" 1
141 1 23 SER HB2 1 29 LEU HB2 4.390 . 4.390 3.271 2.737 3.921 . 0 0 "[ . 1 . 2]" 1
142 1 23 SER HB3 1 28 ILE MD 4.520 . 4.520 2.734 2.294 3.181 . 0 0 "[ . 1 . 2]" 1
143 1 23 SER HB3 1 29 LEU HA 3.680 . 3.680 3.524 2.520 3.856 0.176 1 0 "[ . 1 . 2]" 1
144 1 23 SER HB3 1 29 LEU HB2 3.930 . 3.930 3.197 2.173 3.996 0.066 15 0 "[ . 1 . 2]" 1
145 1 24 PRO CG 1 24 PRO N 2.340 . 2.340 2.279 2.268 2.290 . 0 0 "[ . 1 . 2]" 1
146 1 24 PRO QD 1 25 ASN H 4.560 . 4.560 2.371 2.247 2.438 . 0 0 "[ . 1 . 2]" 1
147 1 24 PRO HD2 1 25 ASN H 3.850 . 3.850 2.408 2.278 2.479 . 0 0 "[ . 1 . 2]" 1
148 1 24 PRO HG2 1 25 ASN H 4.030 . 4.030 1.902 1.704 2.120 . 0 0 "[ . 1 . 2]" 1
149 1 24 PRO HG2 1 25 ASN HB3 3.540 . 3.540 2.733 2.654 2.800 . 0 0 "[ . 1 . 2]" 1
150 1 24 PRO HG3 1 25 ASN H 4.520 . 4.520 3.307 3.159 3.488 . 0 0 "[ . 1 . 2]" 1
151 1 25 ASN H 1 25 ASN HB2 3.310 . 3.310 3.168 2.846 3.362 0.052 1 0 "[ . 1 . 2]" 1
152 1 25 ASN H 1 25 ASN HB3 3.200 . 3.200 2.814 2.615 2.951 . 0 0 "[ . 1 . 2]" 1
153 1 25 ASN H 1 28 ILE MD 5.230 . 5.230 3.516 3.179 3.984 . 0 0 "[ . 1 . 2]" 1
154 1 25 ASN H 1 28 ILE MG 5.000 . 5.000 4.788 4.136 5.214 0.214 18 0 "[ . 1 . 2]" 1
155 1 25 ASN HA 1 26 GLU H 3.530 . 3.530 2.171 2.057 2.293 . 0 0 "[ . 1 . 2]" 1
156 1 25 ASN HA 1 26 GLU HA 4.570 . 4.570 4.474 4.415 4.572 0.002 6 0 "[ . 1 . 2]" 1
157 1 25 ASN HA 1 26 GLU HB2 4.750 . 4.750 4.423 4.121 4.782 0.032 11 0 "[ . 1 . 2]" 1
158 1 25 ASN HA 1 26 GLU HG3 4.670 . 4.670 4.027 3.727 4.330 . 0 0 "[ . 1 . 2]" 1
159 1 25 ASN HA 1 28 ILE MG 4.760 . 4.760 4.471 4.255 4.587 . 0 0 "[ . 1 . 2]" 1
160 1 25 ASN HB2 1 27 GLN QB 3.740 . 3.740 3.911 3.737 4.130 0.390 16 0 "[ . 1 . 2]" 1
161 1 25 ASN HB2 1 28 ILE H 4.680 . 4.680 2.867 2.502 3.431 . 0 0 "[ . 1 . 2]" 1
162 1 25 ASN HB2 1 28 ILE HB 4.170 . 4.170 4.362 4.237 4.507 0.337 9 0 "[ . 1 . 2]" 1
163 1 25 ASN HB2 1 28 ILE MD 4.000 . 4.000 3.508 3.065 4.102 0.102 7 0 "[ . 1 . 2]" 1
164 1 25 ASN HB2 1 28 ILE HG12 5.120 . 5.120 2.351 2.192 2.505 . 0 0 "[ . 1 . 2]" 1
165 1 25 ASN HB2 1 28 ILE MG 5.500 . 5.500 2.348 2.247 2.417 . 0 0 "[ . 1 . 2]" 1
166 1 25 ASN HB3 1 28 ILE H 3.990 . 3.990 3.316 1.966 4.241 0.251 14 0 "[ . 1 . 2]" 1
167 1 25 ASN HB3 1 28 ILE MD 3.600 . 3.600 3.803 3.476 4.027 0.427 1 0 "[ . 1 . 2]" 1
168 1 25 ASN HB3 1 28 ILE HG12 4.190 . 4.190 2.934 2.149 3.530 . 0 0 "[ . 1 . 2]" 1
169 1 25 ASN HB3 1 28 ILE HG13 4.820 . 4.820 2.897 1.910 3.544 . 0 0 "[ . 1 . 2]" 1
170 1 25 ASN HB3 1 28 ILE MG 4.600 . 4.600 2.986 1.988 3.689 . 0 0 "[ . 1 . 2]" 1
171 1 25 ASN HB3 1 29 LEU H 5.200 . 5.200 4.573 3.318 5.342 0.142 1 0 "[ . 1 . 2]" 1
172 1 26 GLU H 1 26 GLU HB2 3.880 . 3.880 2.459 2.321 2.694 . 0 0 "[ . 1 . 2]" 1
173 1 26 GLU H 1 26 GLU HG3 5.500 . 5.500 2.141 1.889 2.460 . 0 0 "[ . 1 . 2]" 1
174 1 26 GLU HA 1 26 GLU HG2 3.620 . 3.620 2.651 2.462 3.651 0.031 11 0 "[ . 1 . 2]" 1
175 1 26 GLU HA 1 26 GLU HG3 4.120 . 4.120 2.994 2.664 3.361 . 0 0 "[ . 1 . 2]" 1
176 1 26 GLU HA 1 29 LEU HB2 3.640 . 3.640 3.024 2.620 3.673 0.033 16 0 "[ . 1 . 2]" 1
177 1 26 GLU HA 1 29 LEU HB3 3.480 . 3.480 2.645 2.065 3.303 . 0 0 "[ . 1 . 2]" 1
178 1 26 GLU HA 1 29 LEU QD 4.570 . 4.570 2.764 2.044 3.387 . 0 0 "[ . 1 . 2]" 1
179 1 26 GLU HA 1 70 ILE MD 4.260 . 4.260 2.790 2.394 3.399 . 0 0 "[ . 1 . 2]" 1
180 1 26 GLU HB3 1 26 GLU HG2 2.480 . 2.480 2.412 2.254 2.502 0.022 18 0 "[ . 1 . 2]" 1
181 1 26 GLU HB3 1 70 ILE MD 3.910 . 3.910 2.055 1.811 2.333 . 0 0 "[ . 1 . 2]" 1
182 1 26 GLU HG2 1 70 ILE MD 4.080 . 4.080 3.110 2.510 3.949 . 0 0 "[ . 1 . 2]" 1
183 1 26 GLU HG3 1 70 ILE MD 4.880 . 4.880 4.181 3.723 4.572 . 0 0 "[ . 1 . 2]" 1
184 1 27 GLN H 1 27 GLN QB 3.160 . 3.160 2.341 2.234 2.540 . 0 0 "[ . 1 . 2]" 1
185 1 27 GLN H 1 27 GLN HG2 3.670 . 3.670 2.546 1.967 3.580 . 0 0 "[ . 1 . 2]" 1
186 1 27 GLN H 1 27 GLN HG3 3.680 . 3.680 3.256 2.018 3.711 0.031 4 0 "[ . 1 . 2]" 1
187 1 27 GLN HA 1 27 GLN QB 2.750 . 2.750 2.384 2.330 2.431 . 0 0 "[ . 1 . 2]" 1
188 1 27 GLN HA 1 30 GLN H 4.310 . 4.310 3.736 3.432 4.156 . 0 0 "[ . 1 . 2]" 1
189 1 27 GLN HA 1 30 GLN HG2 4.790 . 4.790 4.889 4.607 5.018 0.228 14 0 "[ . 1 . 2]" 1
190 1 27 GLN HA 1 70 ILE MD 5.070 . 5.070 4.126 3.189 4.737 . 0 0 "[ . 1 . 2]" 1
191 1 27 GLN QG 1 28 ILE H 4.980 . 4.980 4.007 3.716 4.198 . 0 0 "[ . 1 . 2]" 1
192 1 28 ILE H 1 28 ILE MD 4.120 . 4.120 3.697 3.516 3.955 . 0 0 "[ . 1 . 2]" 1
193 1 28 ILE H 1 28 ILE HG12 3.390 . 3.390 3.374 3.299 3.419 0.029 9 0 "[ . 1 . 2]" 1
194 1 28 ILE H 1 28 ILE HG13 3.940 . 3.940 2.226 2.001 2.555 . 0 0 "[ . 1 . 2]" 1
195 1 28 ILE H 1 28 ILE MG 4.160 . 4.160 2.063 1.924 2.246 . 0 0 "[ . 1 . 2]" 1
196 1 28 ILE H 1 29 LEU H 3.060 . 3.060 2.469 2.300 2.642 . 0 0 "[ . 1 . 2]" 1
197 1 28 ILE H 1 30 GLN H 5.020 . 5.020 4.389 4.177 4.605 . 0 0 "[ . 1 . 2]" 1
198 1 28 ILE HA 1 28 ILE MD 3.830 . 3.830 3.680 3.545 3.767 . 0 0 "[ . 1 . 2]" 1
199 1 28 ILE HA 1 28 ILE HG12 4.220 . 4.220 4.220 4.189 4.253 0.033 11 0 "[ . 1 . 2]" 1
200 1 28 ILE HA 1 28 ILE HG13 4.010 . 4.010 3.578 3.512 3.652 . 0 0 "[ . 1 . 2]" 1
201 1 28 ILE HA 1 28 ILE MG 3.630 . 3.630 2.406 2.361 2.470 . 0 0 "[ . 1 . 2]" 1
202 1 28 ILE HA 1 32 ALA H 4.950 . 4.950 3.851 3.608 4.046 . 0 0 "[ . 1 . 2]" 1
203 1 28 ILE HB 1 28 ILE MD 3.320 . 3.320 2.342 2.203 2.452 . 0 0 "[ . 1 . 2]" 1
204 1 28 ILE HB 1 29 LEU H 4.100 . 4.100 4.077 4.017 4.137 0.037 10 0 "[ . 1 . 2]" 1
205 1 28 ILE HB 1 32 ALA MB 5.070 . 5.070 4.234 3.722 4.699 . 0 0 "[ . 1 . 2]" 1
206 1 28 ILE MD 1 28 ILE MG 3.020 . 3.020 3.053 2.994 3.092 0.072 1 0 "[ . 1 . 2]" 1
207 1 28 ILE MD 1 29 LEU H 4.670 . 4.670 2.786 2.505 3.151 . 0 0 "[ . 1 . 2]" 1
208 1 28 ILE MD 1 30 GLN H 5.080 . 5.080 4.868 4.648 5.100 0.020 10 0 "[ . 1 . 2]" 1
209 1 28 ILE MD 1 32 ALA H 5.050 . 5.050 4.304 4.007 4.614 . 0 0 "[ . 1 . 2]" 1
210 1 28 ILE MD 1 32 ALA MB 3.680 . 3.680 3.394 3.019 3.691 0.011 1 0 "[ . 1 . 2]" 1
211 1 28 ILE HG12 1 29 LEU H 4.890 . 4.890 4.020 3.856 4.137 . 0 0 "[ . 1 . 2]" 1
212 1 28 ILE HG13 1 29 LEU H 5.260 . 5.260 2.324 2.127 2.431 . 0 0 "[ . 1 . 2]" 1
213 1 28 ILE MG 1 29 LEU H 4.050 . 4.050 3.824 3.671 4.032 . 0 0 "[ . 1 . 2]" 1
214 1 28 ILE MG 1 32 ALA H 5.400 . 5.400 5.423 5.252 5.525 0.125 7 0 "[ . 1 . 2]" 1
215 1 29 LEU H 1 29 LEU HB2 3.070 . 3.070 2.506 2.246 2.693 . 0 0 "[ . 1 . 2]" 1
216 1 29 LEU H 1 29 LEU HB3 3.400 . 3.400 2.444 2.229 2.627 . 0 0 "[ . 1 . 2]" 1
217 1 29 LEU H 1 29 LEU QD 5.000 . 5.000 3.705 3.599 3.791 . 0 0 "[ . 1 . 2]" 1
218 1 29 LEU H 1 70 ILE MD 5.500 . 5.500 4.801 4.486 5.524 0.024 15 0 "[ . 1 . 2]" 1
219 1 29 LEU HA 1 32 ALA H 4.550 . 4.550 3.885 3.495 4.151 . 0 0 "[ . 1 . 2]" 1
220 1 29 LEU HA 1 33 LEU H 4.270 . 4.270 4.175 3.957 4.315 0.045 1 0 "[ . 1 . 2]" 1
221 1 29 LEU HB2 1 70 ILE MD 5.120 . 5.120 4.168 3.773 4.875 . 0 0 "[ . 1 . 2]" 1
222 1 29 LEU HB3 1 30 GLN H 3.630 . 3.630 2.239 1.976 2.748 . 0 0 "[ . 1 . 2]" 1
223 1 29 LEU HB3 1 70 ILE MD 3.860 . 3.860 3.118 2.704 3.865 0.005 15 0 "[ . 1 . 2]" 1
224 1 29 LEU QD 1 30 GLN HG3 3.300 . 3.300 2.907 2.346 3.382 0.082 10 0 "[ . 1 . 2]" 1
225 1 29 LEU QD 1 62 LEU H 5.250 . 5.250 5.137 4.191 5.353 0.103 10 0 "[ . 1 . 2]" 1
226 1 29 LEU QD 1 62 LEU HB3 4.030 . 4.030 4.072 3.762 4.220 0.190 18 0 "[ . 1 . 2]" 1
227 1 29 LEU QD 1 62 LEU HG 4.220 . 4.220 3.268 2.036 3.863 . 0 0 "[ . 1 . 2]" 1
228 1 29 LEU QD 1 70 ILE MD 3.940 . 3.940 1.966 1.775 2.307 . 0 0 "[ . 1 . 2]" 1
229 1 29 LEU HG 1 33 LEU MD1 3.830 . 3.830 2.726 1.940 3.843 0.013 1 0 "[ . 1 . 2]" 1
230 1 30 GLN H 1 30 GLN HB2 3.720 . 3.720 2.417 2.263 2.555 . 0 0 "[ . 1 . 2]" 1
231 1 30 GLN H 1 30 GLN HB3 3.630 . 3.630 3.533 3.471 3.640 0.010 11 0 "[ . 1 . 2]" 1
232 1 30 GLN H 1 30 GLN HG2 3.210 . 3.210 3.011 2.276 3.330 0.120 3 0 "[ . 1 . 2]" 1
233 1 30 GLN H 1 30 GLN HG3 3.630 . 3.630 2.541 1.995 3.649 0.019 18 0 "[ . 1 . 2]" 1
234 1 30 GLN H 1 31 GLU H 3.420 . 3.420 2.677 2.246 3.028 . 0 0 "[ . 1 . 2]" 1
235 1 30 GLN H 1 31 GLU QG 5.500 . 5.500 4.266 3.886 5.131 . 0 0 "[ . 1 . 2]" 1
236 1 30 GLN H 1 70 ILE MD 4.490 . 4.490 3.714 3.267 4.343 . 0 0 "[ . 1 . 2]" 1
237 1 30 GLN HA 1 30 GLN HG2 3.410 . 3.410 2.535 2.271 2.952 . 0 0 "[ . 1 . 2]" 1
238 1 30 GLN HA 1 30 GLN HG3 4.210 . 4.210 3.188 2.855 3.703 . 0 0 "[ . 1 . 2]" 1
239 1 30 GLN HA 1 33 LEU H 4.280 . 4.280 3.462 3.025 3.869 . 0 0 "[ . 1 . 2]" 1
240 1 30 GLN HA 1 33 LEU HB2 3.830 . 3.830 2.380 1.936 2.735 . 0 0 "[ . 1 . 2]" 1
241 1 30 GLN HA 1 33 LEU HB3 4.270 . 4.270 3.691 2.506 4.175 . 0 0 "[ . 1 . 2]" 1
242 1 30 GLN HA 1 33 LEU MD1 4.150 . 4.150 2.121 1.878 2.489 . 0 0 "[ . 1 . 2]" 1
243 1 30 GLN HA 1 34 TRP H 4.750 . 4.750 4.451 3.717 4.798 0.048 5 0 "[ . 1 . 2]" 1
244 1 30 GLN HA 1 70 ILE MD 5.170 . 5.170 4.556 3.818 5.202 0.032 6 0 "[ . 1 . 2]" 1
245 1 30 GLN HB2 1 31 GLU H 3.260 . 3.260 2.524 2.148 2.896 . 0 0 "[ . 1 . 2]" 1
246 1 30 GLN HB3 1 70 ILE MD 5.140 . 5.140 4.695 4.256 5.234 0.094 20 0 "[ . 1 . 2]" 1
247 1 30 GLN HG2 1 31 GLU H 4.700 . 4.700 4.663 4.330 4.798 0.098 1 0 "[ . 1 . 2]" 1
248 1 30 GLN HG2 1 33 LEU MD1 5.500 . 5.500 3.223 2.488 3.795 . 0 0 "[ . 1 . 2]" 1
249 1 30 GLN HG2 1 70 ILE MD 5.170 . 5.170 2.820 2.392 3.573 . 0 0 "[ . 1 . 2]" 1
250 1 30 GLN HG2 1 70 ILE HG12 5.380 . 5.380 3.861 2.354 5.032 . 0 0 "[ . 1 . 2]" 1
251 1 30 GLN HG3 1 31 GLU H 5.020 . 5.020 4.471 3.877 5.087 0.067 6 0 "[ . 1 . 2]" 1
252 1 30 GLN HG3 1 33 LEU MD1 3.820 . 3.820 3.929 3.839 4.012 0.192 18 0 "[ . 1 . 2]" 1
253 1 30 GLN HG3 1 70 ILE HA 4.450 . 4.450 4.517 4.255 4.621 0.171 3 0 "[ . 1 . 2]" 1
254 1 30 GLN HG3 1 70 ILE MD 3.770 . 3.770 2.450 1.979 3.146 . 0 0 "[ . 1 . 2]" 1
255 1 30 GLN HG3 1 70 ILE HG12 5.300 . 5.300 3.660 2.536 4.654 . 0 0 "[ . 1 . 2]" 1
256 1 31 GLU H 1 31 GLU QB 3.480 . 3.480 2.493 2.141 2.697 . 0 0 "[ . 1 . 2]" 1
257 1 31 GLU H 1 32 ALA H 3.410 . 3.410 2.736 2.614 2.882 . 0 0 "[ . 1 . 2]" 1
258 1 31 GLU H 1 33 LEU HB2 4.900 . 4.900 4.721 4.386 4.934 0.034 4 0 "[ . 1 . 2]" 1
259 1 31 GLU HA 1 34 TRP H 4.550 . 4.550 3.834 3.409 4.547 . 0 0 "[ . 1 . 2]" 1
260 1 32 ALA HA 1 34 TRP H 3.980 . 3.980 3.980 3.857 4.073 0.093 4 0 "[ . 1 . 2]" 1
261 1 32 ALA HA 1 34 TRP HB2 5.020 . 5.020 4.645 3.870 5.089 0.069 17 0 "[ . 1 . 2]" 1
262 1 32 ALA MB 1 33 LEU H 3.720 . 3.720 2.722 2.584 2.974 . 0 0 "[ . 1 . 2]" 1
263 1 32 ALA MB 1 36 LEU H 4.210 . 4.210 4.239 4.101 4.338 0.128 18 0 "[ . 1 . 2]" 1
264 1 33 LEU H 1 33 LEU HB2 3.250 . 3.250 2.275 2.057 2.378 . 0 0 "[ . 1 . 2]" 1
265 1 33 LEU H 1 33 LEU HB3 3.490 . 3.490 3.385 2.490 3.554 0.064 8 0 "[ . 1 . 2]" 1
266 1 33 LEU H 1 33 LEU MD1 4.190 . 4.190 3.720 3.525 4.052 . 0 0 "[ . 1 . 2]" 1
267 1 33 LEU H 1 33 LEU MD2 4.740 . 4.740 3.792 3.577 4.301 . 0 0 "[ . 1 . 2]" 1
268 1 33 LEU H 1 33 LEU HG 4.560 . 4.560 2.935 2.526 4.459 . 0 0 "[ . 1 . 2]" 1
269 1 33 LEU H 1 34 TRP HB2 4.670 . 4.670 4.706 4.673 4.740 0.070 1 0 "[ . 1 . 2]" 1
270 1 33 LEU HA 1 33 LEU HG 3.750 . 3.750 2.850 2.485 2.984 . 0 0 "[ . 1 . 2]" 1
271 1 33 LEU HA 1 36 LEU HB3 3.630 . 3.630 3.451 2.299 3.751 0.121 2 0 "[ . 1 . 2]" 1
272 1 33 LEU HA 1 36 LEU HG 4.250 . 4.250 4.321 4.263 4.360 0.110 17 0 "[ . 1 . 2]" 1
273 1 33 LEU HB2 1 33 LEU MD1 3.410 . 3.410 2.277 2.150 2.377 . 0 0 "[ . 1 . 2]" 1
274 1 33 LEU HB2 1 34 TRP H 3.530 . 3.530 2.952 2.552 3.646 0.116 1 0 "[ . 1 . 2]" 1
275 1 33 LEU HB3 1 33 LEU MD1 3.140 . 3.140 2.387 2.314 2.521 . 0 0 "[ . 1 . 2]" 1
276 1 33 LEU HB3 1 34 TRP H 3.450 . 3.450 3.326 2.399 3.531 0.081 3 0 "[ . 1 . 2]" 1
277 1 33 LEU HB3 1 37 SER QB 4.400 . 4.400 3.056 2.194 4.409 0.009 14 0 "[ . 1 . 2]" 1
278 1 33 LEU MD1 1 34 TRP H 5.010 . 5.010 4.656 4.400 4.865 . 0 0 "[ . 1 . 2]" 1
279 1 33 LEU MD2 1 34 TRP H 5.500 . 5.500 4.532 3.228 4.773 . 0 0 "[ . 1 . 2]" 1
280 1 34 TRP H 1 34 TRP HB2 2.980 . 2.980 2.290 2.184 2.426 . 0 0 "[ . 1 . 2]" 1
281 1 34 TRP H 1 34 TRP HB3 3.490 . 3.490 3.240 2.713 3.566 0.076 10 0 "[ . 1 . 2]" 1
282 1 34 TRP H 1 35 ALA H 3.350 . 3.350 2.846 2.569 2.972 . 0 0 "[ . 1 . 2]" 1
283 1 34 TRP HA 1 37 SER H 4.630 . 4.630 4.202 3.733 4.402 . 0 0 "[ . 1 . 2]" 1
284 1 34 TRP HA 1 37 SER QB 3.550 . 3.550 3.513 2.367 3.705 0.155 7 0 "[ . 1 . 2]" 1
285 1 34 TRP HB2 1 35 ALA H 3.910 . 3.910 2.997 2.413 3.727 . 0 0 "[ . 1 . 2]" 1
286 1 34 TRP HB3 1 35 ALA H 4.740 . 4.740 2.963 2.230 3.581 . 0 0 "[ . 1 . 2]" 1
287 1 34 TRP HB3 1 35 ALA HA 4.030 . 4.030 4.092 4.034 4.141 0.111 10 0 "[ . 1 . 2]" 1
288 1 35 ALA H 1 36 LEU H 4.320 . 4.320 2.365 2.270 2.692 . 0 0 "[ . 1 . 2]" 1
289 1 35 ALA MB 1 36 LEU HA 4.200 . 4.200 3.752 3.680 3.850 . 0 0 "[ . 1 . 2]" 1
290 1 36 LEU H 1 36 LEU HB2 3.830 . 3.830 2.337 2.120 3.693 . 0 0 "[ . 1 . 2]" 1
291 1 36 LEU H 1 36 LEU HB3 3.730 . 3.730 3.305 2.391 3.566 . 0 0 "[ . 1 . 2]" 1
292 1 36 LEU H 1 36 LEU MD1 5.270 . 5.270 3.913 3.688 4.319 . 0 0 "[ . 1 . 2]" 1
293 1 36 LEU H 1 36 LEU MD2 5.140 . 5.140 2.712 2.090 4.225 . 0 0 "[ . 1 . 2]" 1
294 1 36 LEU HA 1 36 LEU MD2 3.410 . 3.410 2.478 1.940 3.594 0.184 14 0 "[ . 1 . 2]" 1
295 1 36 LEU HB2 1 37 SER H 4.530 . 4.530 3.383 2.965 4.351 . 0 0 "[ . 1 . 2]" 1
296 1 36 LEU HB3 1 36 LEU MD1 3.200 . 3.200 2.373 2.268 2.560 . 0 0 "[ . 1 . 2]" 1
297 1 36 LEU HB3 1 37 SER H 4.140 . 4.140 3.627 2.639 4.074 . 0 0 "[ . 1 . 2]" 1
298 1 37 SER H 1 37 SER QB 3.190 . 3.190 2.204 2.040 2.345 . 0 0 "[ . 1 . 2]" 1
299 1 37 SER H 1 38 ASN H 4.070 . 4.070 2.639 2.504 2.877 . 0 0 "[ . 1 . 2]" 1
300 1 37 SER QB 1 38 ASN H 3.400 . 3.400 3.092 2.733 3.529 0.129 12 0 "[ . 1 . 2]" 1
301 1 38 ASN H 1 38 ASN HB2 3.710 . 3.710 2.434 2.283 2.616 . 0 0 "[ . 1 . 2]" 1
302 1 38 ASN H 1 38 ASN HB3 4.020 . 4.020 2.885 2.455 3.650 . 0 0 "[ . 1 . 2]" 1
303 1 38 ASN H 1 39 ILE H 3.090 . 3.090 2.634 2.351 2.812 . 0 0 "[ . 1 . 2]" 1
304 1 38 ASN H 1 39 ILE HA 5.390 . 5.390 5.264 5.028 5.418 0.028 12 0 "[ . 1 . 2]" 1
305 1 38 ASN H 1 39 ILE QG 5.030 . 5.030 4.270 3.716 5.125 0.095 13 0 "[ . 1 . 2]" 1
306 1 38 ASN HA 1 39 ILE HA 5.100 . 5.100 4.898 4.707 5.037 . 0 0 "[ . 1 . 2]" 1
307 1 38 ASN HB2 1 39 ILE H 3.760 . 3.760 3.595 2.875 3.882 0.122 17 0 "[ . 1 . 2]" 1
308 1 38 ASN HB3 1 39 ILE H 4.370 . 4.370 3.044 2.548 3.999 . 0 0 "[ . 1 . 2]" 1
309 1 39 ILE H 1 39 ILE HB 2.990 . 2.990 2.486 2.169 2.891 . 0 0 "[ . 1 . 2]" 1
310 1 39 ILE H 1 39 ILE MD 4.590 . 4.590 3.163 1.873 3.615 . 0 0 "[ . 1 . 2]" 1
311 1 39 ILE H 1 39 ILE QG 4.220 . 4.220 2.342 1.875 3.385 . 0 0 "[ . 1 . 2]" 1
312 1 39 ILE H 1 39 ILE MG 4.480 . 4.480 3.766 3.632 3.831 . 0 0 "[ . 1 . 2]" 1
313 1 39 ILE H 1 40 ALA H 3.670 . 3.670 2.780 2.481 3.003 . 0 0 "[ . 1 . 2]" 1
314 1 39 ILE HA 1 39 ILE MD 4.440 . 4.440 2.307 1.966 3.911 . 0 0 "[ . 1 . 2]" 1
315 1 39 ILE HA 1 39 ILE QG 3.790 . 3.790 2.815 2.418 2.970 . 0 0 "[ . 1 . 2]" 1
316 1 39 ILE HA 1 39 ILE MG 3.430 . 3.430 2.544 2.239 2.771 . 0 0 "[ . 1 . 2]" 1
317 1 39 ILE HA 1 41 SER H 4.890 . 4.890 4.231 3.664 4.866 . 0 0 "[ . 1 . 2]" 1
318 1 39 ILE HA 1 42 GLY H 4.920 . 4.920 3.870 3.481 4.256 . 0 0 "[ . 1 . 2]" 1
319 1 39 ILE HB 1 40 ALA H 3.560 . 3.560 2.570 2.246 3.207 . 0 0 "[ . 1 . 2]" 1
320 1 39 ILE HB 1 40 ALA HA 4.970 . 4.970 4.350 3.849 4.742 . 0 0 "[ . 1 . 2]" 1
321 1 39 ILE QG 1 39 ILE MG 3.170 . 3.170 2.291 2.024 2.490 . 0 0 "[ . 1 . 2]" 1
322 1 39 ILE QG 1 40 ALA H 4.790 . 4.790 4.095 3.422 4.777 . 0 0 "[ . 1 . 2]" 1
323 1 39 ILE MG 1 40 ALA H 4.480 . 4.480 3.243 2.903 3.901 . 0 0 "[ . 1 . 2]" 1
324 1 39 ILE MG 1 40 ALA HA 4.000 . 4.000 3.240 2.942 4.020 0.020 2 0 "[ . 1 . 2]" 1
325 1 39 ILE MG 1 40 ALA MB 5.200 . 5.200 3.645 3.009 4.549 . 0 0 "[ . 1 . 2]" 1
326 1 39 ILE MG 1 42 GLY H 5.200 . 5.200 4.628 4.154 5.227 0.027 18 0 "[ . 1 . 2]" 1
327 1 40 ALA H 1 40 ALA MB 3.280 . 3.280 2.253 2.204 2.302 . 0 0 "[ . 1 . 2]" 1
328 1 40 ALA H 1 41 SER H 3.790 . 3.790 2.508 2.284 2.835 . 0 0 "[ . 1 . 2]" 1
329 1 40 ALA HA 1 47 LYS HA 4.460 . 4.460 4.008 2.994 4.537 0.077 9 0 "[ . 1 . 2]" 1
330 1 40 ALA HA 1 47 LYS HB2 4.630 . 4.630 4.189 2.850 4.674 0.044 19 0 "[ . 1 . 2]" 1
331 1 40 ALA HA 1 47 LYS QG 5.110 . 5.110 4.178 2.623 4.996 . 0 0 "[ . 1 . 2]" 1
332 1 40 ALA MB 1 41 SER H 4.120 . 4.120 2.897 2.606 3.130 . 0 0 "[ . 1 . 2]" 1
333 1 40 ALA MB 1 41 SER HA 5.130 . 5.130 3.932 3.805 4.081 . 0 0 "[ . 1 . 2]" 1
334 1 41 SER H 1 41 SER QB 3.270 . 3.270 2.405 2.235 2.744 . 0 0 "[ . 1 . 2]" 1
335 1 41 SER H 1 42 GLY H 4.420 . 4.420 2.512 2.354 2.705 . 0 0 "[ . 1 . 2]" 1
336 1 41 SER QB 1 42 GLY H 4.660 . 4.660 3.060 2.623 3.799 . 0 0 "[ . 1 . 2]" 1
337 1 42 GLY H 1 43 GLY H 5.460 . 5.460 3.546 2.304 4.554 . 0 0 "[ . 1 . 2]" 1
338 1 43 GLY QA 1 47 LYS H 5.500 . 5.500 3.542 2.390 3.987 . 0 0 "[ . 1 . 2]" 1
339 1 43 GLY QA 1 47 LYS HB2 4.340 . 4.340 2.110 1.846 2.548 . 0 0 "[ . 1 . 2]" 1
340 1 43 GLY QA 1 47 LYS HD2 5.010 . 5.010 3.268 1.869 4.864 . 0 0 "[ . 1 . 2]" 1
341 1 43 GLY QA 1 47 LYS HD3 4.420 . 4.420 2.582 2.001 3.402 . 0 0 "[ . 1 . 2]" 1
342 1 43 GLY QA 1 47 LYS QE 4.540 . 4.540 3.372 2.071 4.220 . 0 0 "[ . 1 . 2]" 1
343 1 47 LYS HA 1 50 VAL H 4.550 . 4.550 4.077 3.616 4.542 . 0 0 "[ . 1 . 2]" 1
344 1 47 LYS HA 1 50 VAL MG1 5.190 . 5.190 2.876 2.494 3.263 . 0 0 "[ . 1 . 2]" 1
345 1 47 LYS HA 1 50 VAL MG2 4.110 . 4.110 3.520 3.032 3.996 . 0 0 "[ . 1 . 2]" 1
346 1 47 LYS HB2 1 47 LYS HD3 3.250 . 3.250 2.506 2.111 3.253 0.003 20 0 "[ . 1 . 2]" 1
347 1 47 LYS HB3 1 47 LYS HD3 2.590 . 2.590 2.601 2.374 2.715 0.125 18 0 "[ . 1 . 2]" 1
348 1 47 LYS HB3 1 48 GLN H 4.510 . 4.510 3.050 2.514 3.383 . 0 0 "[ . 1 . 2]" 1
349 1 47 LYS QG 1 48 GLN H 5.500 . 5.500 3.975 3.599 4.163 . 0 0 "[ . 1 . 2]" 1
350 1 47 LYS QG 1 50 VAL MG2 5.210 . 5.210 3.502 2.453 4.046 . 0 0 "[ . 1 . 2]" 1
351 1 48 GLN H 1 48 GLN QB 3.340 . 3.340 2.527 2.305 2.706 . 0 0 "[ . 1 . 2]" 1
352 1 48 GLN H 1 48 GLN HG3 4.150 . 4.150 3.526 3.384 3.843 . 0 0 "[ . 1 . 2]" 1
353 1 48 GLN H 1 49 ALA H 4.360 . 4.360 2.336 2.163 2.719 . 0 0 "[ . 1 . 2]" 1
354 1 48 GLN H 1 50 VAL MG1 4.870 . 4.870 4.453 4.171 4.758 . 0 0 "[ . 1 . 2]" 1
355 1 48 GLN HA 1 48 GLN QB 2.730 . 2.730 2.180 2.161 2.196 . 0 0 "[ . 1 . 2]" 1
356 1 48 GLN HA 1 50 VAL MG2 5.140 . 5.140 3.497 2.673 4.000 . 0 0 "[ . 1 . 2]" 1
357 1 48 GLN QB 1 49 ALA H 4.610 . 4.610 3.547 3.433 3.700 . 0 0 "[ . 1 . 2]" 1
358 1 48 GLN QB 1 50 VAL MG2 5.500 . 5.500 4.797 4.047 5.170 . 0 0 "[ . 1 . 2]" 1
359 1 48 GLN HG2 1 49 ALA H 5.410 . 5.410 2.364 2.200 2.536 . 0 0 "[ . 1 . 2]" 1
360 1 48 GLN HG2 1 49 ALA HA 3.960 . 3.960 3.876 3.316 4.028 0.068 6 0 "[ . 1 . 2]" 1
361 1 48 GLN HG2 1 50 VAL MG2 5.270 . 5.270 5.445 4.783 5.737 0.467 12 0 "[ . 1 . 2]" 1
362 1 48 GLN HG3 1 49 ALA MB 5.350 . 5.350 3.877 3.301 5.053 . 0 0 "[ . 1 . 2]" 1
363 1 49 ALA H 1 49 ALA MB 3.560 . 3.560 2.070 2.026 2.104 . 0 0 "[ . 1 . 2]" 1
364 1 49 ALA HA 1 52 GLU H 4.260 . 4.260 3.752 3.423 4.100 . 0 0 "[ . 1 . 2]" 1
365 1 49 ALA HA 1 52 GLU HB3 3.340 . 3.340 3.294 2.817 3.479 0.139 11 0 "[ . 1 . 2]" 1
366 1 49 ALA MB 1 50 VAL H 4.060 . 4.060 2.116 1.961 2.268 . 0 0 "[ . 1 . 2]" 1
367 1 49 ALA MB 1 50 VAL MG1 3.360 . 3.360 2.543 2.255 3.075 . 0 0 "[ . 1 . 2]" 1
368 1 49 ALA MB 1 50 VAL MG2 4.510 . 4.510 3.642 3.597 3.706 . 0 0 "[ . 1 . 2]" 1
369 1 49 ALA MB 1 52 GLU H 5.180 . 5.180 4.580 4.327 4.843 . 0 0 "[ . 1 . 2]" 1
370 1 50 VAL H 1 50 VAL HB 4.130 . 4.130 3.554 3.527 3.576 . 0 0 "[ . 1 . 2]" 1
371 1 50 VAL H 1 50 VAL MG2 3.700 . 3.700 1.986 1.800 2.118 . 0 0 "[ . 1 . 2]" 1
372 1 50 VAL HA 1 50 VAL MG2 3.600 . 3.600 3.112 3.088 3.137 . 0 0 "[ . 1 . 2]" 1
373 1 50 VAL HA 1 53 ALA H 4.590 . 4.590 3.501 3.175 3.962 . 0 0 "[ . 1 . 2]" 1
374 1 50 VAL HA 1 53 ALA MB 4.250 . 4.250 2.575 1.945 3.320 . 0 0 "[ . 1 . 2]" 1
375 1 50 VAL HB 1 51 LYS H 4.110 . 4.110 3.997 3.712 4.145 0.035 18 0 "[ . 1 . 2]" 1
376 1 50 VAL HB 1 81 LEU MD2 5.290 . 5.290 3.578 3.330 3.804 . 0 0 "[ . 1 . 2]" 1
377 1 50 VAL MG2 1 51 LYS QD 3.360 . 3.360 1.775 1.719 1.880 . 0 0 "[ . 1 . 2]" 1
378 1 50 VAL MG2 1 81 LEU MD2 4.300 . 4.300 2.913 2.467 3.482 . 0 0 "[ . 1 . 2]" 1
379 1 51 LYS H 1 51 LYS QB 3.340 . 3.340 2.544 2.451 2.613 . 0 0 "[ . 1 . 2]" 1
380 1 51 LYS H 1 51 LYS QD 3.740 . 3.740 2.006 1.806 2.841 . 0 0 "[ . 1 . 2]" 1
381 1 51 LYS H 1 51 LYS HG2 4.690 . 4.690 3.896 2.359 4.082 . 0 0 "[ . 1 . 2]" 1
382 1 51 LYS H 1 51 LYS HG3 4.440 . 4.440 3.291 3.074 3.815 . 0 0 "[ . 1 . 2]" 1
383 1 51 LYS H 1 52 GLU H 3.840 . 3.840 2.392 2.208 2.612 . 0 0 "[ . 1 . 2]" 1
384 1 51 LYS H 1 81 LEU MD2 5.500 . 5.500 4.904 4.285 5.518 0.018 10 0 "[ . 1 . 2]" 1
385 1 51 LYS HA 1 51 LYS QD 4.060 . 4.060 3.370 1.914 3.664 . 0 0 "[ . 1 . 2]" 1
386 1 51 LYS HA 1 51 LYS HG2 3.870 . 3.870 3.718 3.335 3.812 . 0 0 "[ . 1 . 2]" 1
387 1 51 LYS HA 1 51 LYS HG3 4.100 . 4.100 2.640 2.334 3.668 . 0 0 "[ . 1 . 2]" 1
388 1 51 LYS HA 1 55 ALA MB 4.320 . 4.320 3.453 3.014 4.045 . 0 0 "[ . 1 . 2]" 1
389 1 51 LYS HA 1 56 LEU H 4.590 . 4.590 4.181 3.732 4.595 0.005 12 0 "[ . 1 . 2]" 1
390 1 51 LYS HA 1 56 LEU MD2 4.570 . 4.570 4.401 2.757 4.646 0.076 3 0 "[ . 1 . 2]" 1
391 1 51 LYS HA 1 81 LEU HB3 5.040 . 5.040 4.792 4.334 5.153 0.113 10 0 "[ . 1 . 2]" 1
392 1 51 LYS QB 1 51 LYS QD 2.700 . 2.700 2.272 2.131 2.795 0.095 10 0 "[ . 1 . 2]" 1
393 1 51 LYS QB 1 51 LYS QE 3.820 . 3.820 3.546 2.001 3.830 0.010 12 0 "[ . 1 . 2]" 1
394 1 51 LYS QB 1 52 GLU H 4.060 . 4.060 2.616 2.233 2.862 . 0 0 "[ . 1 . 2]" 1
395 1 51 LYS QB 1 56 LEU MD2 5.170 . 5.170 4.905 3.767 5.219 0.049 12 0 "[ . 1 . 2]" 1
396 1 51 LYS QB 1 81 LEU MD1 5.440 . 5.440 3.753 3.048 4.440 . 0 0 "[ . 1 . 2]" 1
397 1 51 LYS QD 1 52 GLU H 4.450 . 4.450 3.659 3.399 4.431 . 0 0 "[ . 1 . 2]" 1
398 1 51 LYS QD 1 81 LEU HB3 3.430 . 3.430 3.314 2.032 3.477 0.047 14 0 "[ . 1 . 2]" 1
399 1 51 LYS QD 1 81 LEU MD1 4.020 . 4.020 3.700 2.302 4.099 0.079 9 0 "[ . 1 . 2]" 1
400 1 51 LYS QE 1 81 LEU HA 5.250 . 5.250 2.373 1.834 5.316 0.066 10 0 "[ . 1 . 2]" 1
401 1 51 LYS QE 1 81 LEU MD1 3.630 . 3.630 3.331 2.261 3.729 0.099 2 0 "[ . 1 . 2]" 1
402 1 51 LYS QE 1 81 LEU MD2 5.430 . 5.430 4.388 2.146 5.484 0.054 5 0 "[ . 1 . 2]" 1
403 1 51 LYS HG2 1 81 LEU HB3 4.880 . 4.880 4.867 3.736 4.954 0.074 18 0 "[ . 1 . 2]" 1
404 1 51 LYS HG2 1 81 LEU MD1 5.060 . 5.060 3.289 2.513 3.953 . 0 0 "[ . 1 . 2]" 1
405 1 51 LYS HG3 1 81 LEU MD1 2.980 . 2.980 2.381 1.906 3.139 0.159 10 0 "[ . 1 . 2]" 1
406 1 52 GLU H 1 52 GLU HB3 3.040 . 3.040 2.575 1.968 3.254 0.214 14 0 "[ . 1 . 2]" 1
407 1 52 GLU H 1 52 GLU HG2 3.680 . 3.680 3.531 2.323 3.885 0.205 1 0 "[ . 1 . 2]" 1
408 1 52 GLU H 1 52 GLU HG3 4.110 . 4.110 4.069 3.562 4.217 0.107 19 0 "[ . 1 . 2]" 1
409 1 52 GLU H 1 53 ALA H 3.720 . 3.720 2.464 2.154 2.735 . 0 0 "[ . 1 . 2]" 1
410 1 52 GLU H 1 53 ALA MB 5.380 . 5.380 4.169 3.846 4.452 . 0 0 "[ . 1 . 2]" 1
411 1 52 GLU HA 1 52 GLU HG2 4.210 . 4.210 2.730 2.072 3.368 . 0 0 "[ . 1 . 2]" 1
412 1 52 GLU HA 1 52 GLU HG3 3.350 . 3.350 3.099 2.472 3.511 0.161 10 0 "[ . 1 . 2]" 1
413 1 52 GLU HB2 1 52 GLU HG3 2.630 . 2.630 2.382 2.200 2.473 . 0 0 "[ . 1 . 2]" 1
414 1 52 GLU HB3 1 53 ALA H 3.880 . 3.880 2.804 2.347 3.453 . 0 0 "[ . 1 . 2]" 1
415 1 53 ALA H 1 53 ALA MB 3.210 . 3.210 2.229 2.194 2.267 . 0 0 "[ . 1 . 2]" 1
416 1 53 ALA H 1 54 GLY H 3.910 . 3.910 2.486 2.295 2.652 . 0 0 "[ . 1 . 2]" 1
417 1 53 ALA MB 1 54 GLY H 4.350 . 4.350 2.815 2.589 3.078 . 0 0 "[ . 1 . 2]" 1
418 1 53 ALA MB 1 55 ALA H 5.500 . 5.500 3.654 3.271 4.230 . 0 0 "[ . 1 . 2]" 1
419 1 54 GLY H 1 55 ALA H 3.860 . 3.860 2.324 2.104 2.693 . 0 0 "[ . 1 . 2]" 1
420 1 54 GLY H 1 55 ALA MB 5.150 . 5.150 3.917 3.624 4.251 . 0 0 "[ . 1 . 2]" 1
421 1 54 GLY H 1 56 LEU H 5.030 . 5.030 4.475 4.220 4.959 . 0 0 "[ . 1 . 2]" 1
422 1 54 GLY HA2 1 56 LEU H 4.360 . 4.360 3.285 2.955 3.539 . 0 0 "[ . 1 . 2]" 1
423 1 55 ALA H 1 56 LEU H 4.470 . 4.470 2.659 2.431 2.832 . 0 0 "[ . 1 . 2]" 1
424 1 55 ALA H 1 56 LEU MD1 5.310 . 5.310 5.208 4.888 5.337 0.027 18 0 "[ . 1 . 2]" 1
425 1 55 ALA HA 1 58 LYS H 4.330 . 4.330 3.217 3.008 3.438 . 0 0 "[ . 1 . 2]" 1
426 1 55 ALA HA 1 58 LYS HB2 4.530 . 4.530 2.189 1.898 2.571 . 0 0 "[ . 1 . 2]" 1
427 1 55 ALA HA 1 58 LYS HB3 3.940 . 3.940 3.529 3.022 3.887 . 0 0 "[ . 1 . 2]" 1
428 1 55 ALA HA 1 58 LYS QG 4.830 . 4.830 3.189 2.119 3.907 . 0 0 "[ . 1 . 2]" 1
429 1 55 ALA HA 1 77 ALA MB 4.450 . 4.450 4.464 4.143 4.577 0.127 12 0 "[ . 1 . 2]" 1
430 1 55 ALA HA 1 81 LEU MD2 5.260 . 5.260 4.513 4.247 5.191 . 0 0 "[ . 1 . 2]" 1
431 1 55 ALA MB 1 56 LEU H 4.240 . 4.240 2.885 2.479 3.089 . 0 0 "[ . 1 . 2]" 1
432 1 55 ALA MB 1 56 LEU HA 4.830 . 4.830 3.938 3.846 4.076 . 0 0 "[ . 1 . 2]" 1
433 1 55 ALA MB 1 56 LEU HB2 5.500 . 5.500 5.009 4.789 5.305 . 0 0 "[ . 1 . 2]" 1
434 1 55 ALA MB 1 57 GLU H 5.500 . 5.500 4.785 4.366 5.064 . 0 0 "[ . 1 . 2]" 1
435 1 55 ALA MB 1 77 ALA MB 2.540 . 2.540 2.536 2.340 2.607 0.067 13 0 "[ . 1 . 2]" 1
436 1 55 ALA MB 1 81 LEU MD2 3.850 . 3.850 2.087 1.886 2.736 . 0 0 "[ . 1 . 2]" 1
437 1 56 LEU H 1 56 LEU HB2 3.840 . 3.840 2.584 2.408 3.584 . 0 0 "[ . 1 . 2]" 1
438 1 56 LEU H 1 56 LEU HB3 3.740 . 3.740 3.527 2.566 3.631 . 0 0 "[ . 1 . 2]" 1
439 1 56 LEU H 1 56 LEU MD1 3.990 . 3.990 3.576 3.089 3.812 . 0 0 "[ . 1 . 2]" 1
440 1 56 LEU H 1 56 LEU MD2 4.830 . 4.830 3.029 1.661 3.395 . 0 0 "[ . 1 . 2]" 1
441 1 56 LEU H 1 56 LEU HG 3.410 . 3.410 2.322 2.026 3.602 0.192 7 0 "[ . 1 . 2]" 1
442 1 56 LEU H 1 57 GLU H 3.820 . 3.820 2.694 2.379 2.895 . 0 0 "[ . 1 . 2]" 1
443 1 56 LEU HA 1 56 LEU MD1 3.770 . 3.770 3.755 2.151 3.960 0.190 18 0 "[ . 1 . 2]" 1
444 1 56 LEU HA 1 56 LEU MD2 4.150 . 4.150 2.221 2.044 3.632 . 0 0 "[ . 1 . 2]" 1
445 1 56 LEU HA 1 59 LEU H 4.170 . 4.170 3.673 3.439 4.007 . 0 0 "[ . 1 . 2]" 1
446 1 56 LEU HA 1 59 LEU HB2 4.410 . 4.410 3.303 2.523 4.038 . 0 0 "[ . 1 . 2]" 1
447 1 56 LEU HA 1 59 LEU HB3 3.820 . 3.820 3.086 2.549 3.911 0.091 8 0 "[ . 1 . 2]" 1
448 1 56 LEU HA 1 81 LEU MD2 3.940 . 3.940 3.541 3.015 3.983 0.043 7 0 "[ . 1 . 2]" 1
449 1 56 LEU HB2 1 56 LEU MD2 3.200 . 3.200 3.157 2.374 3.209 0.009 10 0 "[ . 1 . 2]" 1
450 1 56 LEU HB2 1 57 GLU H 4.180 . 4.180 2.462 2.215 3.833 . 0 0 "[ . 1 . 2]" 1
451 1 56 LEU HB3 1 56 LEU MD2 3.370 . 3.370 2.413 2.275 3.250 . 0 0 "[ . 1 . 2]" 1
452 1 56 LEU HB3 1 57 GLU H 4.160 . 4.160 3.531 3.300 4.038 . 0 0 "[ . 1 . 2]" 1
453 1 56 LEU MD1 1 57 GLU H 4.670 . 4.670 4.289 3.986 4.600 . 0 0 "[ . 1 . 2]" 1
454 1 56 LEU MD2 1 57 GLU H 5.010 . 5.010 4.425 2.625 4.661 . 0 0 "[ . 1 . 2]" 1
455 1 56 LEU MD2 1 81 LEU MD2 2.480 . 2.480 2.244 1.970 2.504 0.024 15 0 "[ . 1 . 2]" 1
456 1 56 LEU HG 1 57 GLU H 4.770 . 4.770 4.099 2.355 4.746 . 0 0 "[ . 1 . 2]" 1
457 1 56 LEU HG 1 81 LEU MD2 4.160 . 4.160 3.500 2.916 4.241 0.081 18 0 "[ . 1 . 2]" 1
458 1 57 GLU H 1 57 GLU HB2 3.700 . 3.700 2.954 2.356 3.668 . 0 0 "[ . 1 . 2]" 1
459 1 57 GLU H 1 57 GLU HB3 3.230 . 3.230 2.519 2.236 2.738 . 0 0 "[ . 1 . 2]" 1
460 1 57 GLU H 1 57 GLU QG 4.410 . 4.410 3.177 1.879 3.995 . 0 0 "[ . 1 . 2]" 1
461 1 57 GLU H 1 58 LYS H 3.890 . 3.890 2.582 2.325 2.764 . 0 0 "[ . 1 . 2]" 1
462 1 57 GLU HB2 1 58 LYS H 4.360 . 4.360 3.825 3.490 4.034 . 0 0 "[ . 1 . 2]" 1
463 1 57 GLU HB3 1 57 GLU QG 2.400 . 2.400 2.314 2.141 2.381 . 0 0 "[ . 1 . 2]" 1
464 1 57 GLU HB3 1 58 LYS H 4.270 . 4.270 3.100 2.235 4.118 . 0 0 "[ . 1 . 2]" 1
465 1 57 GLU QG 1 58 LYS HA 3.570 . 3.570 3.494 3.178 3.698 0.128 2 0 "[ . 1 . 2]" 1
466 1 57 GLU QG 1 58 LYS QE 5.060 . 5.060 2.772 2.143 4.126 . 0 0 "[ . 1 . 2]" 1
467 1 58 LYS H 1 58 LYS HB2 3.940 . 3.940 2.236 1.930 2.595 . 0 0 "[ . 1 . 2]" 1
468 1 58 LYS H 1 58 LYS HB3 3.400 . 3.400 3.427 3.194 3.505 0.105 12 0 "[ . 1 . 2]" 1
469 1 58 LYS H 1 58 LYS QG 4.180 . 4.180 2.944 1.842 3.789 . 0 0 "[ . 1 . 2]" 1
470 1 58 LYS H 1 59 LEU H 3.510 . 3.510 2.607 2.458 2.809 . 0 0 "[ . 1 . 2]" 1
471 1 58 LYS HA 1 58 LYS QD 3.970 . 3.970 2.983 2.108 3.762 . 0 0 "[ . 1 . 2]" 1
472 1 58 LYS HA 1 58 LYS QG 3.630 . 3.630 2.620 2.184 3.109 . 0 0 "[ . 1 . 2]" 1
473 1 58 LYS HB2 1 58 LYS QG 2.550 . 2.550 2.287 2.155 2.406 . 0 0 "[ . 1 . 2]" 1
474 1 58 LYS HB2 1 59 LEU H 3.790 . 3.790 2.700 2.275 3.180 . 0 0 "[ . 1 . 2]" 1
475 1 58 LYS HB3 1 58 LYS QD 3.610 . 3.610 2.976 2.295 3.465 . 0 0 "[ . 1 . 2]" 1
476 1 58 LYS HB3 1 59 LEU H 4.280 . 4.280 3.291 2.857 3.751 . 0 0 "[ . 1 . 2]" 1
477 1 59 LEU H 1 59 LEU HB2 4.110 . 4.110 2.285 2.010 2.513 . 0 0 "[ . 1 . 2]" 1
478 1 59 LEU H 1 59 LEU HB3 3.310 . 3.310 2.603 2.408 3.414 0.104 8 0 "[ . 1 . 2]" 1
479 1 59 LEU H 1 59 LEU QD 4.070 . 4.070 3.593 3.102 3.704 . 0 0 "[ . 1 . 2]" 1
480 1 59 LEU HA 1 59 LEU QD 2.980 . 2.980 2.313 1.940 2.946 . 0 0 "[ . 1 . 2]" 1
481 1 59 LEU HA 1 59 LEU HG 4.140 . 4.140 3.142 2.581 3.845 . 0 0 "[ . 1 . 2]" 1
482 1 59 LEU HA 1 62 LEU H 4.370 . 4.370 3.646 3.407 3.917 . 0 0 "[ . 1 . 2]" 1
483 1 59 LEU HA 1 62 LEU HB3 4.100 . 4.100 2.899 1.997 4.067 . 0 0 "[ . 1 . 2]" 1
484 1 59 LEU HB2 1 60 GLU H 4.260 . 4.260 3.731 2.391 4.198 . 0 0 "[ . 1 . 2]" 1
485 1 59 LEU HB3 1 60 GLU H 3.230 . 3.230 2.636 2.229 3.097 . 0 0 "[ . 1 . 2]" 1
486 1 59 LEU QD 1 63 GLN QB 5.190 . 5.190 3.982 3.470 4.846 . 0 0 "[ . 1 . 2]" 1
487 1 59 LEU QD 1 63 GLN HG3 4.350 . 4.350 3.039 2.255 4.151 . 0 0 "[ . 1 . 2]" 1
488 1 59 LEU QD 1 74 ALA HA 3.380 . 3.380 3.079 2.120 3.436 0.056 17 0 "[ . 1 . 2]" 1
489 1 59 LEU QD 1 74 ALA MB 2.990 . 2.990 2.156 1.907 2.724 . 0 0 "[ . 1 . 2]" 1
490 1 59 LEU QD 1 77 ALA MB 3.430 . 3.430 3.004 2.076 3.470 0.040 1 0 "[ . 1 . 2]" 1
491 1 60 GLU H 1 60 GLU HB2 3.750 . 3.750 2.154 2.021 2.322 . 0 0 "[ . 1 . 2]" 1
492 1 60 GLU H 1 60 GLU HB3 3.100 . 3.100 3.077 2.569 3.362 0.262 12 0 "[ . 1 . 2]" 1
493 1 60 GLU H 1 60 GLU HG3 3.790 . 3.790 2.873 1.990 3.964 0.174 4 0 "[ . 1 . 2]" 1
494 1 60 GLU H 1 61 GLN H 3.520 . 3.520 2.781 2.635 2.900 . 0 0 "[ . 1 . 2]" 1
495 1 60 GLU HA 1 60 GLU HG2 2.890 . 2.890 2.562 2.342 2.806 . 0 0 "[ . 1 . 2]" 1
496 1 60 GLU HA 1 63 GLN H 4.090 . 4.090 3.543 3.151 4.087 . 0 0 "[ . 1 . 2]" 1
497 1 60 GLU HA 1 63 GLN QB 3.260 . 3.260 2.689 2.294 3.166 . 0 0 "[ . 1 . 2]" 1
498 1 60 GLU HB2 1 61 GLN H 3.590 . 3.590 3.194 2.553 3.625 0.035 9 0 "[ . 1 . 2]" 1
499 1 61 GLN H 1 61 GLN HB2 3.030 . 3.030 2.492 2.210 2.681 . 0 0 "[ . 1 . 2]" 1
500 1 61 GLN H 1 61 GLN HB3 3.490 . 3.490 3.547 3.507 3.567 0.077 5 0 "[ . 1 . 2]" 1
501 1 61 GLN H 1 61 GLN HG2 4.650 . 4.650 2.270 1.857 4.224 . 0 0 "[ . 1 . 2]" 1
502 1 61 GLN H 1 61 GLN HG3 4.510 . 4.510 3.546 3.402 3.957 . 0 0 "[ . 1 . 2]" 1
503 1 61 GLN H 1 62 LEU H 3.810 . 3.810 2.490 2.174 2.811 . 0 0 "[ . 1 . 2]" 1
504 1 61 GLN HA 1 61 GLN HB2 2.960 . 2.960 2.995 2.974 3.006 0.046 16 0 "[ . 1 . 2]" 1
505 1 61 GLN HA 1 61 GLN HG3 3.820 . 3.820 3.635 2.316 3.836 0.016 13 0 "[ . 1 . 2]" 1
506 1 61 GLN HB2 1 61 GLN HG2 2.450 . 2.450 2.420 2.385 2.487 0.037 4 0 "[ . 1 . 2]" 1
507 1 61 GLN HB2 1 62 LEU H 3.700 . 3.700 2.217 2.102 2.349 . 0 0 "[ . 1 . 2]" 1
508 1 61 GLN HB2 1 62 LEU HA 4.660 . 4.660 4.080 3.850 4.515 . 0 0 "[ . 1 . 2]" 1
509 1 61 GLN HB2 1 62 LEU QD 5.410 . 5.410 4.533 3.545 4.963 . 0 0 "[ . 1 . 2]" 1
510 1 61 GLN HG3 1 62 LEU H 4.420 . 4.420 4.486 4.442 4.563 0.143 4 0 "[ . 1 . 2]" 1
511 1 62 LEU H 1 62 LEU HB2 3.720 . 3.720 2.405 2.002 2.489 . 0 0 "[ . 1 . 2]" 1
512 1 62 LEU H 1 62 LEU HB3 3.210 . 3.210 2.463 2.253 3.093 . 0 0 "[ . 1 . 2]" 1
513 1 62 LEU H 1 62 LEU QD 4.820 . 4.820 3.612 3.070 3.684 . 0 0 "[ . 1 . 2]" 1
514 1 62 LEU H 1 63 GLN H 4.060 . 4.060 2.537 2.380 2.768 . 0 0 "[ . 1 . 2]" 1
515 1 62 LEU HA 1 62 LEU QD 2.970 . 2.970 2.048 1.837 2.358 . 0 0 "[ . 1 . 2]" 1
516 1 62 LEU HA 1 65 HIS H 4.100 . 4.100 4.006 3.793 4.144 0.044 14 0 "[ . 1 . 2]" 1
517 1 62 LEU HA 1 65 HIS HB3 3.790 . 3.790 3.813 3.557 3.904 0.114 15 0 "[ . 1 . 2]" 1
518 1 62 LEU HA 1 70 ILE MG 5.210 . 5.210 4.124 3.406 4.462 . 0 0 "[ . 1 . 2]" 1
519 1 62 LEU HB2 1 63 GLN H 3.770 . 3.770 3.914 3.779 3.968 0.198 4 0 "[ . 1 . 2]" 1
520 1 62 LEU HB2 1 70 ILE MG 4.370 . 4.370 4.470 4.398 4.556 0.186 16 0 "[ . 1 . 2]" 1
521 1 62 LEU HB3 1 63 GLN H 5.080 . 5.080 2.992 2.672 3.517 . 0 0 "[ . 1 . 2]" 1
522 1 62 LEU HB3 1 70 ILE MG 5.110 . 5.110 4.398 3.383 4.804 . 0 0 "[ . 1 . 2]" 1
523 1 62 LEU HB3 1 74 ALA MB 3.980 . 3.980 3.569 2.643 4.043 0.063 14 0 "[ . 1 . 2]" 1
524 1 62 LEU QD 1 63 GLN HA 5.160 . 5.160 4.218 2.999 4.622 . 0 0 "[ . 1 . 2]" 1
525 1 62 LEU QD 1 65 HIS H 5.210 . 5.210 4.011 3.319 4.714 . 0 0 "[ . 1 . 2]" 1
526 1 62 LEU QD 1 65 HIS HA 5.110 . 5.110 3.814 3.169 5.052 . 0 0 "[ . 1 . 2]" 1
527 1 62 LEU QD 1 65 HIS HB2 5.030 . 5.030 3.680 2.991 4.445 . 0 0 "[ . 1 . 2]" 1
528 1 62 LEU QD 1 65 HIS HB3 3.970 . 3.970 2.728 1.848 3.381 . 0 0 "[ . 1 . 2]" 1
529 1 62 LEU QD 1 70 ILE HG13 5.500 . 5.500 3.944 3.100 4.744 . 0 0 "[ . 1 . 2]" 1
530 1 62 LEU QD 1 70 ILE MG 3.670 . 3.670 1.779 1.618 1.908 . 0 0 "[ . 1 . 2]" 1
531 1 62 LEU HG 1 74 ALA H 5.110 . 5.110 4.917 4.388 5.227 0.117 10 0 "[ . 1 . 2]" 1
532 1 63 GLN H 1 63 GLN QB 3.260 . 3.260 2.464 2.342 2.552 . 0 0 "[ . 1 . 2]" 1
533 1 63 GLN H 1 63 GLN HG2 3.780 . 3.780 2.628 2.435 3.658 . 0 0 "[ . 1 . 2]" 1
534 1 63 GLN H 1 63 GLN HG3 3.850 . 3.850 3.711 2.416 3.893 0.043 8 0 "[ . 1 . 2]" 1
535 1 63 GLN HA 1 63 GLN HG2 3.790 . 3.790 2.823 2.476 3.005 . 0 0 "[ . 1 . 2]" 1
536 1 63 GLN HA 1 65 HIS H 4.790 . 4.790 3.249 3.076 3.467 . 0 0 "[ . 1 . 2]" 1
537 1 63 GLN HA 1 70 ILE MG 5.460 . 5.460 4.741 4.217 5.181 . 0 0 "[ . 1 . 2]" 1
538 1 63 GLN HA 1 74 ALA MB 3.940 . 3.940 3.840 3.550 4.066 0.126 18 0 "[ . 1 . 2]" 1
539 1 63 GLN QB 1 63 GLN HG3 2.790 . 2.790 2.181 2.152 2.357 . 0 0 "[ . 1 . 2]" 1
540 1 63 GLN QB 1 64 SER H 4.200 . 4.200 3.112 2.916 3.368 . 0 0 "[ . 1 . 2]" 1
541 1 63 GLN QB 1 64 SER QB 5.090 . 5.090 4.561 4.062 4.767 . 0 0 "[ . 1 . 2]" 1
542 1 63 GLN HG2 1 74 ALA MB 5.310 . 5.310 3.830 2.954 4.417 . 0 0 "[ . 1 . 2]" 1
543 1 64 SER H 1 65 HIS HB3 5.430 . 5.430 4.587 4.198 4.706 . 0 0 "[ . 1 . 2]" 1
544 1 64 SER HA 1 65 HIS H 3.070 . 3.070 3.028 2.917 3.112 0.042 10 0 "[ . 1 . 2]" 1
545 1 65 HIS H 1 65 HIS HB2 4.090 . 4.090 3.616 3.549 3.692 . 0 0 "[ . 1 . 2]" 1
546 1 65 HIS H 1 65 HIS HB3 3.210 . 3.210 2.491 2.315 2.635 . 0 0 "[ . 1 . 2]" 1
547 1 65 HIS H 1 66 GLU H 5.170 . 5.170 4.588 4.513 4.630 . 0 0 "[ . 1 . 2]" 1
548 1 65 HIS H 1 70 ILE MG 5.080 . 5.080 4.265 3.976 4.588 . 0 0 "[ . 1 . 2]" 1
549 1 65 HIS HA 1 66 GLU H 2.820 . 2.820 2.204 2.083 2.380 . 0 0 "[ . 1 . 2]" 1
550 1 65 HIS HB2 1 66 GLU H 5.180 . 5.180 2.770 2.346 3.138 . 0 0 "[ . 1 . 2]" 1
551 1 65 HIS HB2 1 70 ILE H 4.850 . 4.850 4.796 4.614 4.879 0.029 18 0 "[ . 1 . 2]" 1
552 1 65 HIS HB2 1 70 ILE HB 4.610 . 4.610 2.601 2.445 2.759 . 0 0 "[ . 1 . 2]" 1
553 1 65 HIS HB2 1 70 ILE MD 4.490 . 4.490 3.830 2.508 4.500 0.010 13 0 "[ . 1 . 2]" 1
554 1 65 HIS HB2 1 70 ILE HG12 5.230 . 5.230 4.611 4.033 5.232 0.002 8 0 "[ . 1 . 2]" 1
555 1 65 HIS HB2 1 70 ILE MG 3.840 . 3.840 2.421 2.116 2.815 . 0 0 "[ . 1 . 2]" 1
556 1 65 HIS HB2 1 71 GLN H 5.060 . 5.060 4.965 3.604 5.136 0.076 2 0 "[ . 1 . 2]" 1
557 1 65 HIS HB3 1 70 ILE HB 5.060 . 5.060 3.606 3.331 3.776 . 0 0 "[ . 1 . 2]" 1
558 1 65 HIS HB3 1 70 ILE MG 4.190 . 4.190 2.206 1.997 2.527 . 0 0 "[ . 1 . 2]" 1
559 1 66 GLU H 1 66 GLU QB 3.090 . 3.090 2.465 2.381 2.544 . 0 0 "[ . 1 . 2]" 1
560 1 66 GLU H 1 66 GLU QG 3.690 . 3.690 2.680 2.268 2.828 . 0 0 "[ . 1 . 2]" 1
561 1 67 ASN HA 1 68 GLU H 3.130 . 3.130 1.791 1.611 1.908 . 0 0 "[ . 1 . 2]" 1
562 1 67 ASN HA 1 68 GLU HA 4.700 . 4.700 3.939 3.836 3.995 . 0 0 "[ . 1 . 2]" 1
563 1 67 ASN HA 1 68 GLU QB 4.640 . 4.640 3.491 3.386 3.899 . 0 0 "[ . 1 . 2]" 1
564 1 67 ASN HA 1 68 GLU HG2 4.270 . 4.270 4.098 3.661 4.406 0.136 1 0 "[ . 1 . 2]" 1
565 1 67 ASN HB2 1 70 ILE H 4.670 . 4.670 4.483 3.282 4.676 0.006 6 0 "[ . 1 . 2]" 1
566 1 67 ASN HB2 1 70 ILE HB 4.270 . 4.270 4.277 3.319 4.385 0.115 18 0 "[ . 1 . 2]" 1
567 1 67 ASN HB2 1 70 ILE MD 4.230 . 4.230 3.658 2.710 4.281 0.051 1 0 "[ . 1 . 2]" 1
568 1 67 ASN HB3 1 70 ILE HA 5.030 . 5.030 4.645 4.450 4.987 . 0 0 "[ . 1 . 2]" 1
569 1 67 ASN HB3 1 70 ILE HB 3.790 . 3.790 2.712 2.517 3.844 0.054 19 0 "[ . 1 . 2]" 1
570 1 67 ASN HB3 1 70 ILE MD 3.870 . 3.870 2.849 1.863 3.863 . 0 0 "[ . 1 . 2]" 1
571 1 67 ASN HB3 1 70 ILE HG12 4.920 . 4.920 2.711 1.813 4.153 . 0 0 "[ . 1 . 2]" 1
572 1 67 ASN HB3 1 70 ILE HG13 5.130 . 5.130 2.270 2.005 3.732 . 0 0 "[ . 1 . 2]" 1
573 1 68 GLU H 1 68 GLU QB 3.330 . 3.330 2.135 2.000 2.658 . 0 0 "[ . 1 . 2]" 1
574 1 68 GLU H 1 68 GLU HG2 4.970 . 4.970 2.446 2.157 3.128 . 0 0 "[ . 1 . 2]" 1
575 1 68 GLU H 1 68 GLU HG3 4.890 . 4.890 3.590 3.420 3.760 . 0 0 "[ . 1 . 2]" 1
576 1 68 GLU H 1 69 LYS H 4.200 . 4.200 2.515 2.376 2.770 . 0 0 "[ . 1 . 2]" 1
577 1 68 GLU H 1 69 LYS HG3 5.500 . 5.500 4.315 3.881 5.546 0.046 15 0 "[ . 1 . 2]" 1
578 1 68 GLU HA 1 68 GLU QB 2.700 . 2.700 2.101 2.089 2.134 . 0 0 "[ . 1 . 2]" 1
579 1 68 GLU HA 1 68 GLU HG2 3.740 . 3.740 3.730 3.627 3.786 0.046 8 0 "[ . 1 . 2]" 1
580 1 68 GLU HA 1 70 ILE H 4.350 . 4.350 4.154 3.876 4.389 0.039 15 0 "[ . 1 . 2]" 1
581 1 68 GLU HG2 1 69 LYS HA 3.890 . 3.890 3.887 3.467 3.986 0.096 6 0 "[ . 1 . 2]" 1
582 1 68 GLU HG2 1 69 LYS HG3 4.320 . 4.320 2.590 2.142 4.253 . 0 0 "[ . 1 . 2]" 1
583 1 69 LYS H 1 69 LYS QB 2.890 . 2.890 2.398 2.155 2.518 . 0 0 "[ . 1 . 2]" 1
584 1 69 LYS H 1 69 LYS HG2 4.300 . 4.300 3.507 2.236 3.770 . 0 0 "[ . 1 . 2]" 1
585 1 69 LYS H 1 69 LYS HG3 4.240 . 4.240 2.524 2.096 3.670 . 0 0 "[ . 1 . 2]" 1
586 1 69 LYS H 1 70 ILE H 3.310 . 3.310 2.312 2.204 2.674 . 0 0 "[ . 1 . 2]" 1
587 1 69 LYS H 1 70 ILE HB 4.970 . 4.970 4.360 4.161 4.797 . 0 0 "[ . 1 . 2]" 1
588 1 69 LYS QB 1 70 ILE H 3.760 . 3.760 2.718 2.466 3.004 . 0 0 "[ . 1 . 2]" 1
589 1 69 LYS QB 1 70 ILE HG12 5.090 . 5.090 3.715 3.048 4.827 . 0 0 "[ . 1 . 2]" 1
590 1 69 LYS HG3 1 70 ILE H 5.130 . 5.130 4.347 4.002 5.089 . 0 0 "[ . 1 . 2]" 1
591 1 70 ILE H 1 70 ILE HB 3.050 . 3.050 2.376 2.195 2.471 . 0 0 "[ . 1 . 2]" 1
592 1 70 ILE H 1 70 ILE MD 3.980 . 3.980 3.498 3.189 3.757 . 0 0 "[ . 1 . 2]" 1
593 1 70 ILE H 1 70 ILE HG12 3.630 . 3.630 2.675 1.947 3.622 . 0 0 "[ . 1 . 2]" 1
594 1 70 ILE H 1 70 ILE HG13 4.080 . 4.080 3.042 2.174 3.684 . 0 0 "[ . 1 . 2]" 1
595 1 70 ILE H 1 70 ILE MG 4.560 . 4.560 3.725 3.641 3.779 . 0 0 "[ . 1 . 2]" 1
596 1 70 ILE H 1 71 GLN H 3.520 . 3.520 2.733 2.504 2.928 . 0 0 "[ . 1 . 2]" 1
597 1 70 ILE HA 1 70 ILE MD 3.830 . 3.830 2.654 1.887 3.765 . 0 0 "[ . 1 . 2]" 1
598 1 70 ILE HA 1 70 ILE HG12 3.940 . 3.940 2.617 2.245 2.959 . 0 0 "[ . 1 . 2]" 1
599 1 70 ILE HA 1 70 ILE HG13 3.830 . 3.830 3.340 2.803 3.688 . 0 0 "[ . 1 . 2]" 1
600 1 70 ILE HA 1 70 ILE MG 3.440 . 3.440 2.546 2.450 2.685 . 0 0 "[ . 1 . 2]" 1
601 1 70 ILE HB 1 71 GLN H 4.290 . 4.290 3.065 2.743 3.269 . 0 0 "[ . 1 . 2]" 1
602 1 70 ILE HG12 1 71 GLN H 5.490 . 5.490 4.740 4.212 5.193 . 0 0 "[ . 1 . 2]" 1
603 1 70 ILE MG 1 71 GLN H 4.250 . 4.250 3.545 3.290 3.748 . 0 0 "[ . 1 . 2]" 1
604 1 70 ILE MG 1 71 GLN HB2 5.280 . 5.280 5.219 4.925 5.423 0.143 9 0 "[ . 1 . 2]" 1
605 1 70 ILE MG 1 74 ALA H 5.300 . 5.300 3.544 2.989 3.974 . 0 0 "[ . 1 . 2]" 1
606 1 70 ILE MG 1 74 ALA HA 5.310 . 5.310 4.519 3.850 5.303 . 0 0 "[ . 1 . 2]" 1
607 1 70 ILE MG 1 74 ALA MB 3.720 . 3.720 2.963 2.438 3.499 . 0 0 "[ . 1 . 2]" 1
608 1 71 GLN H 1 71 GLN HB2 3.590 . 3.590 2.785 2.004 3.634 0.044 5 0 "[ . 1 . 2]" 1
609 1 71 GLN H 1 71 GLN HB3 3.750 . 3.750 2.968 2.194 3.608 . 0 0 "[ . 1 . 2]" 1
610 1 71 GLN H 1 71 GLN QG 3.750 . 3.750 2.681 2.042 3.674 . 0 0 "[ . 1 . 2]" 1
611 1 71 GLN H 1 72 LYS H 3.960 . 3.960 2.728 2.443 3.054 . 0 0 "[ . 1 . 2]" 1
612 1 71 GLN HA 1 71 GLN QG 3.970 . 3.970 2.889 2.241 3.457 . 0 0 "[ . 1 . 2]" 1
613 1 71 GLN HB2 1 72 LYS H 3.570 . 3.570 3.256 2.627 3.662 0.092 6 0 "[ . 1 . 2]" 1
614 1 71 GLN HB3 1 72 LYS H 3.640 . 3.640 3.331 2.200 3.892 0.252 5 0 "[ . 1 . 2]" 1
615 1 72 LYS H 1 72 LYS HB2 3.110 . 3.110 2.379 2.165 2.524 . 0 0 "[ . 1 . 2]" 1
616 1 72 LYS H 1 72 LYS HB3 4.200 . 4.200 2.701 2.459 3.581 . 0 0 "[ . 1 . 2]" 1
617 1 72 LYS H 1 72 LYS HG2 4.470 . 4.470 4.349 3.211 4.510 0.040 5 0 "[ . 1 . 2]" 1
618 1 72 LYS H 1 73 GLU H 3.750 . 3.750 2.542 2.226 2.798 . 0 0 "[ . 1 . 2]" 1
619 1 72 LYS HA 1 72 LYS QD 4.400 . 4.400 3.453 2.168 4.150 . 0 0 "[ . 1 . 2]" 1
620 1 72 LYS HA 1 72 LYS QE 4.740 . 4.740 3.830 2.510 4.637 . 0 0 "[ . 1 . 2]" 1
621 1 72 LYS HB2 1 72 LYS QE 4.490 . 4.490 3.033 1.993 3.974 . 0 0 "[ . 1 . 2]" 1
622 1 72 LYS HB3 1 73 GLU H 3.060 . 3.060 2.677 2.330 3.134 0.074 10 0 "[ . 1 . 2]" 1
623 1 72 LYS QD 1 72 LYS HG2 2.620 . 2.620 2.246 2.135 2.423 . 0 0 "[ . 1 . 2]" 1
624 1 73 GLU H 1 73 GLU QB 3.060 . 3.060 2.471 2.133 2.650 . 0 0 "[ . 1 . 2]" 1
625 1 73 GLU H 1 73 GLU QG 3.660 . 3.660 2.296 1.877 3.419 . 0 0 "[ . 1 . 2]" 1
626 1 73 GLU H 1 74 ALA H 3.560 . 3.560 2.582 2.294 3.113 . 0 0 "[ . 1 . 2]" 1
627 1 73 GLU H 1 74 ALA MB 5.360 . 5.360 4.250 3.892 4.664 . 0 0 "[ . 1 . 2]" 1
628 1 73 GLU QB 1 73 GLU QG 2.450 . 2.450 1.989 1.947 2.004 . 0 0 "[ . 1 . 2]" 1
629 1 73 GLU QB 1 74 ALA H 3.680 . 3.680 2.666 2.357 2.966 . 0 0 "[ . 1 . 2]" 1
630 1 74 ALA H 1 74 ALA MB 3.170 . 3.170 2.239 2.191 2.261 . 0 0 "[ . 1 . 2]" 1
631 1 74 ALA H 1 75 GLN H 3.200 . 3.200 2.630 2.392 2.903 . 0 0 "[ . 1 . 2]" 1
632 1 74 ALA MB 1 75 GLN H 3.570 . 3.570 2.466 2.091 2.993 . 0 0 "[ . 1 . 2]" 1
633 1 75 GLN H 1 75 GLN HB2 3.450 . 3.450 2.450 2.181 2.541 . 0 0 "[ . 1 . 2]" 1
634 1 75 GLN H 1 75 GLN HG2 3.340 . 3.340 3.107 2.174 3.405 0.065 7 0 "[ . 1 . 2]" 1
635 1 75 GLN H 1 75 GLN HG3 4.250 . 4.250 2.601 2.076 3.719 . 0 0 "[ . 1 . 2]" 1
636 1 75 GLN HA 1 75 GLN HG2 3.100 . 3.100 2.560 2.276 2.948 . 0 0 "[ . 1 . 2]" 1
637 1 75 GLN HA 1 75 GLN HG3 4.060 . 4.060 3.235 2.905 3.793 . 0 0 "[ . 1 . 2]" 1
638 1 75 GLN HA 1 78 LEU HB2 3.670 . 3.670 2.246 2.009 2.531 . 0 0 "[ . 1 . 2]" 1
639 1 75 GLN HA 1 78 LEU MD1 4.170 . 4.170 2.575 2.099 4.154 . 0 0 "[ . 1 . 2]" 1
640 1 75 GLN HA 1 78 LEU MD2 3.320 . 3.320 3.129 2.387 3.365 0.045 14 0 "[ . 1 . 2]" 1
641 1 75 GLN HA 1 78 LEU HG 5.070 . 5.070 4.439 4.236 4.684 . 0 0 "[ . 1 . 2]" 1
642 1 75 GLN HB3 1 78 LEU MD2 4.420 . 4.420 3.697 3.042 4.439 0.019 16 0 "[ . 1 . 2]" 1
643 1 75 GLN HG2 1 78 LEU HB2 5.060 . 5.060 4.411 3.806 5.110 0.050 19 0 "[ . 1 . 2]" 1
644 1 75 GLN HG2 1 78 LEU MD2 4.100 . 4.100 3.882 2.609 4.214 0.114 5 0 "[ . 1 . 2]" 1
645 1 75 GLN HG3 1 78 LEU MD2 5.270 . 5.270 4.989 3.924 5.319 0.049 6 0 "[ . 1 . 2]" 1
646 1 76 GLU H 1 76 GLU HB2 3.030 . 3.030 2.422 2.144 2.620 . 0 0 "[ . 1 . 2]" 1
647 1 76 GLU H 1 76 GLU HB3 3.190 . 3.190 2.602 2.374 3.404 0.214 3 0 "[ . 1 . 2]" 1
648 1 76 GLU H 1 77 ALA MB 5.460 . 5.460 4.682 4.447 4.826 . 0 0 "[ . 1 . 2]" 1
649 1 76 GLU H 1 78 LEU HB2 4.870 . 4.870 4.603 4.295 4.898 0.028 12 0 "[ . 1 . 2]" 1
650 1 76 GLU HB2 1 76 GLU QG 2.510 . 2.510 2.302 2.037 2.384 . 0 0 "[ . 1 . 2]" 1
651 1 76 GLU HB2 1 77 ALA H 3.740 . 3.740 3.586 2.205 3.763 0.023 5 0 "[ . 1 . 2]" 1
652 1 76 GLU HB3 1 77 ALA H 3.620 . 3.620 2.302 2.050 3.080 . 0 0 "[ . 1 . 2]" 1
653 1 76 GLU HB3 1 77 ALA MB 4.910 . 4.910 3.705 3.377 3.955 . 0 0 "[ . 1 . 2]" 1
654 1 76 GLU QG 1 77 ALA HA 5.230 . 5.230 3.783 3.138 5.082 . 0 0 "[ . 1 . 2]" 1
655 1 77 ALA H 1 77 ALA MB 3.140 . 3.140 2.304 2.262 2.341 . 0 0 "[ . 1 . 2]" 1
656 1 77 ALA HA 1 80 LYS H 4.410 . 4.410 3.618 3.361 4.102 . 0 0 "[ . 1 . 2]" 1
657 1 77 ALA HA 1 80 LYS HB2 3.890 . 3.890 2.933 2.329 3.735 . 0 0 "[ . 1 . 2]" 1
658 1 77 ALA HA 1 80 LYS HB3 3.890 . 3.890 3.436 2.439 4.018 0.128 13 0 "[ . 1 . 2]" 1
659 1 77 ALA HA 1 80 LYS HG3 5.000 . 5.000 4.432 3.428 5.061 0.061 1 0 "[ . 1 . 2]" 1
660 1 77 ALA MB 1 78 LEU H 3.650 . 3.650 2.778 2.534 3.004 . 0 0 "[ . 1 . 2]" 1
661 1 77 ALA MB 1 80 LYS HB2 5.060 . 5.060 4.456 3.851 5.160 0.100 12 0 "[ . 1 . 2]" 1
662 1 77 ALA MB 1 81 LEU MD2 3.660 . 3.660 2.917 2.403 3.335 . 0 0 "[ . 1 . 2]" 1
663 1 78 LEU H 1 78 LEU HB2 3.070 . 3.070 2.137 2.041 2.249 . 0 0 "[ . 1 . 2]" 1
664 1 78 LEU H 1 78 LEU HB3 3.410 . 3.410 2.550 2.504 2.653 . 0 0 "[ . 1 . 2]" 1
665 1 78 LEU H 1 78 LEU MD2 3.990 . 3.990 4.090 4.030 4.137 0.147 16 0 "[ . 1 . 2]" 1
666 1 78 LEU H 1 79 GLU H 3.370 . 3.370 2.835 2.746 3.019 . 0 0 "[ . 1 . 2]" 1
667 1 78 LEU H 1 80 LYS H 4.720 . 4.720 4.144 4.002 4.255 . 0 0 "[ . 1 . 2]" 1
668 1 78 LEU H 1 81 LEU MD2 4.550 . 4.550 4.070 3.747 4.435 . 0 0 "[ . 1 . 2]" 1
669 1 78 LEU HA 1 78 LEU MD2 3.560 . 3.560 3.333 3.068 3.767 0.207 12 0 "[ . 1 . 2]" 1
670 1 78 LEU HA 1 78 LEU HG 3.360 . 3.360 2.586 2.478 2.766 . 0 0 "[ . 1 . 2]" 1
671 1 78 LEU HA 1 80 LYS H 4.860 . 4.860 4.853 4.769 4.898 0.038 3 0 "[ . 1 . 2]" 1
672 1 78 LEU HA 1 81 LEU H 4.470 . 4.470 4.187 3.986 4.521 0.051 14 0 "[ . 1 . 2]" 1
673 1 78 LEU HA 1 81 LEU MD2 3.660 . 3.660 2.724 2.315 3.363 . 0 0 "[ . 1 . 2]" 1
674 1 78 LEU HB2 1 78 LEU MD2 3.180 . 3.180 2.934 2.395 3.090 . 0 0 "[ . 1 . 2]" 1
675 1 78 LEU HB2 1 79 GLU H 3.470 . 3.470 3.227 3.195 3.300 . 0 0 "[ . 1 . 2]" 1
676 1 78 LEU HB2 1 79 GLU QB 4.490 . 4.490 4.303 4.275 4.326 . 0 0 "[ . 1 . 2]" 1
677 1 78 LEU HB3 1 79 GLU H 4.720 . 4.720 1.814 1.695 1.900 . 0 0 "[ . 1 . 2]" 1
678 1 78 LEU MD2 1 79 GLU H 5.070 . 5.070 2.811 2.690 3.039 . 0 0 "[ . 1 . 2]" 1
679 1 78 LEU MD2 1 79 GLU HA 3.630 . 3.630 2.734 2.533 3.309 . 0 0 "[ . 1 . 2]" 1
680 1 78 LEU MD2 1 79 GLU QB 3.950 . 3.950 3.048 2.753 3.199 . 0 0 "[ . 1 . 2]" 1
681 1 78 LEU MD2 1 79 GLU HG2 5.370 . 5.370 5.155 4.977 5.390 0.020 17 0 "[ . 1 . 2]" 1
682 1 78 LEU MD2 1 79 GLU HG3 4.170 . 4.170 4.214 4.061 4.273 0.103 17 0 "[ . 1 . 2]" 1
683 1 79 GLU H 1 79 GLU QB 3.080 . 3.080 1.745 1.702 1.784 . 0 0 "[ . 1 . 2]" 1
684 1 79 GLU H 1 79 GLU HG2 3.770 . 3.770 3.811 3.723 3.848 0.078 17 0 "[ . 1 . 2]" 1
685 1 79 GLU H 1 79 GLU HG3 3.400 . 3.400 3.665 3.578 3.702 0.302 14 0 "[ . 1 . 2]" 1
686 1 79 GLU H 1 80 LYS H 3.390 . 3.390 2.646 2.501 2.749 . 0 0 "[ . 1 . 2]" 1
687 1 79 GLU HG2 1 80 LYS H 4.870 . 4.870 2.708 2.580 2.856 . 0 0 "[ . 1 . 2]" 1
688 1 79 GLU HG2 1 80 LYS HB3 4.550 . 4.550 4.683 4.609 4.748 0.198 8 0 "[ . 1 . 2]" 1
689 1 79 GLU HG2 1 81 LEU H 5.240 . 5.240 5.158 4.985 5.283 0.043 14 0 "[ . 1 . 2]" 1
690 1 79 GLU HG3 1 80 LYS H 3.600 . 3.600 3.759 3.714 3.855 0.255 17 0 "[ . 1 . 2]" 1
691 1 80 LYS H 1 80 LYS HB2 3.480 . 3.480 2.194 1.902 2.379 . 0 0 "[ . 1 . 2]" 1
692 1 80 LYS H 1 80 LYS HB3 3.310 . 3.310 2.904 2.061 3.439 0.129 10 0 "[ . 1 . 2]" 1
693 1 80 LYS H 1 80 LYS HD2 5.250 . 5.250 4.352 3.800 5.267 0.017 4 0 "[ . 1 . 2]" 1
694 1 80 LYS H 1 80 LYS HD3 5.260 . 5.260 4.369 3.274 5.410 0.150 9 0 "[ . 1 . 2]" 1
695 1 80 LYS H 1 80 LYS HG2 3.980 . 3.980 3.281 2.097 4.128 0.148 14 0 "[ . 1 . 2]" 1
696 1 80 LYS H 1 80 LYS HG3 4.370 . 4.370 3.657 2.290 4.334 . 0 0 "[ . 1 . 2]" 1
697 1 80 LYS H 1 81 LEU MD2 5.500 . 5.500 4.903 4.750 5.082 . 0 0 "[ . 1 . 2]" 1
698 1 80 LYS HA 1 80 LYS HG2 3.480 . 3.480 2.979 2.244 3.576 0.096 4 0 "[ . 1 . 2]" 1
699 1 80 LYS HA 1 80 LYS HG3 3.770 . 3.770 3.082 2.532 3.704 . 0 0 "[ . 1 . 2]" 1
700 1 80 LYS HB3 1 81 LEU H 4.440 . 4.440 3.324 2.193 3.942 . 0 0 "[ . 1 . 2]" 1
701 1 81 LEU H 1 81 LEU HB2 3.130 . 3.130 3.408 3.369 3.434 0.304 14 0 "[ . 1 . 2]" 1
702 1 81 LEU H 1 81 LEU HB3 3.950 . 3.950 2.500 2.251 2.720 . 0 0 "[ . 1 . 2]" 1
703 1 81 LEU H 1 81 LEU MD1 4.640 . 4.640 3.796 3.700 3.933 . 0 0 "[ . 1 . 2]" 1
704 1 81 LEU H 1 81 LEU MD2 5.080 . 5.080 2.995 2.851 3.209 . 0 0 "[ . 1 . 2]" 1
705 1 81 LEU H 1 82 GLN H 3.600 . 3.600 2.332 2.193 2.532 . 0 0 "[ . 1 . 2]" 1
706 1 81 LEU HA 1 81 LEU MD1 3.570 . 3.570 3.567 3.442 3.614 0.044 17 0 "[ . 1 . 2]" 1
707 1 81 LEU HB2 1 82 GLN H 3.840 . 3.840 3.881 3.772 3.916 0.076 9 0 "[ . 1 . 2]" 1
708 1 81 LEU HB3 1 81 LEU MD1 3.080 . 3.080 3.074 2.995 3.120 0.040 2 0 "[ . 1 . 2]" 1
709 1 81 LEU HB3 1 81 LEU MD2 3.320 . 3.320 2.158 2.102 2.219 . 0 0 "[ . 1 . 2]" 1
710 1 81 LEU HB3 1 82 GLN H 4.290 . 4.290 3.959 3.725 4.145 . 0 0 "[ . 1 . 2]" 1
711 1 81 LEU MD1 1 82 GLN H 4.900 . 4.900 3.100 2.937 3.274 . 0 0 "[ . 1 . 2]" 1
712 1 81 LEU MD1 1 82 GLN HG2 4.270 . 4.270 2.819 2.491 3.533 . 0 0 "[ . 1 . 2]" 1
713 1 81 LEU MD1 1 82 GLN HG3 4.930 . 4.930 2.842 2.270 3.906 . 0 0 "[ . 1 . 2]" 1
714 1 81 LEU MD2 1 82 GLN H 5.390 . 5.390 3.885 3.749 4.088 . 0 0 "[ . 1 . 2]" 1
715 1 81 LEU HG 1 82 GLN H 3.400 . 3.400 2.241 2.088 2.499 . 0 0 "[ . 1 . 2]" 1
716 1 81 LEU HG 1 82 GLN HA 3.490 . 3.490 3.598 3.526 3.637 0.147 14 0 "[ . 1 . 2]" 1
717 1 81 LEU HG 1 82 GLN HG3 3.260 . 3.260 2.460 2.112 3.185 . 0 0 "[ . 1 . 2]" 1
718 1 82 GLN H 1 82 GLN HG2 3.890 . 3.890 3.580 3.256 3.799 . 0 0 "[ . 1 . 2]" 1
719 1 82 GLN H 1 82 GLN HG3 4.030 . 4.030 2.474 2.187 2.682 . 0 0 "[ . 1 . 2]" 1
720 1 82 GLN HA 1 82 GLN HG2 4.010 . 4.010 2.454 2.369 2.537 . 0 0 "[ . 1 . 2]" 1
721 1 82 GLN HA 1 82 GLN HG3 3.670 . 3.670 2.992 2.856 3.166 . 0 0 "[ . 1 . 2]" 1
722 1 83 SER HA 1 84 HIS QB 4.810 . 4.810 4.059 3.822 4.418 . 0 0 "[ . 1 . 2]" 1
723 1 83 SER HG 1 84 HIS H 4.760 . 4.760 4.467 4.051 4.789 0.029 2 0 "[ . 1 . 2]" 1
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