NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
438753 |
2k5h   |
15836 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k5h
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 1102
_Distance_constraint_stats_list.Viol_count 1605
_Distance_constraint_stats_list.Viol_total 2516.703
_Distance_constraint_stats_list.Viol_max 0.464
_Distance_constraint_stats_list.Viol_rms 0.0268
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0057
_Distance_constraint_stats_list.Viol_average_violations_only 0.0784
_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 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 LEU 0.065 0.029 18 0 "[ . 1 . 2]"
1 18 TYR 0.109 0.109 5 0 "[ . 1 . 2]"
1 19 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 MET 0.046 0.024 12 0 "[ . 1 . 2]"
1 24 ALA 0.046 0.024 12 0 "[ . 1 . 2]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ARG 0.209 0.152 3 0 "[ . 1 . 2]"
1 27 ILE 1.157 0.284 10 0 "[ . 1 . 2]"
1 28 THR 0.110 0.110 11 0 "[ . 1 . 2]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLU 0.343 0.094 1 0 "[ . 1 . 2]"
1 31 PRO 0.300 0.114 6 0 "[ . 1 . 2]"
1 32 SER 0.114 0.114 6 0 "[ . 1 . 2]"
1 33 LYS 0.048 0.048 18 0 "[ . 1 . 2]"
1 34 LYS 0.672 0.178 15 0 "[ . 1 . 2]"
1 35 ALA 0.562 0.178 15 0 "[ . 1 . 2]"
1 36 VAL 4.666 0.240 2 0 "[ . 1 . 2]"
1 37 SER 5.104 0.240 2 0 "[ . 1 . 2]"
1 38 ASP 1.753 0.320 12 0 "[ . 1 . 2]"
1 39 ARG 0.511 0.175 3 0 "[ . 1 . 2]"
1 40 LEU 2.425 0.174 3 0 "[ . 1 . 2]"
1 41 ILE 2.192 0.115 12 0 "[ . 1 . 2]"
1 42 GLY 1.767 0.107 17 0 "[ . 1 . 2]"
1 43 ARG 1.230 0.119 15 0 "[ . 1 . 2]"
1 44 LYS 4.531 0.415 4 0 "[ . 1 . 2]"
1 45 GLY 2.988 0.185 10 0 "[ . 1 . 2]"
1 46 VAL 6.416 0.307 12 0 "[ . 1 . 2]"
1 47 VAL 0.581 0.050 14 0 "[ . 1 . 2]"
1 48 MET 3.904 0.249 7 0 "[ . 1 . 2]"
1 49 GLU 2.668 0.081 3 0 "[ . 1 . 2]"
1 50 ALA 0.389 0.079 5 0 "[ . 1 . 2]"
1 51 ILE 1.201 0.066 17 0 "[ . 1 . 2]"
1 52 SER 3.407 0.178 15 0 "[ . 1 . 2]"
1 53 PRO 2.945 0.178 15 0 "[ . 1 . 2]"
1 54 GLN 0.091 0.068 2 0 "[ . 1 . 2]"
1 55 ASN 0.436 0.094 9 0 "[ . 1 . 2]"
1 56 SER 2.155 0.211 17 0 "[ . 1 . 2]"
1 57 GLY 3.280 0.211 17 0 "[ . 1 . 2]"
1 58 LEU 5.746 0.171 13 0 "[ . 1 . 2]"
1 59 VAL 0.989 0.291 10 0 "[ . 1 . 2]"
1 60 LYS 1.977 0.291 10 0 "[ . 1 . 2]"
1 61 VAL 1.062 0.162 11 0 "[ . 1 . 2]"
1 62 ASP 2.707 0.196 20 0 "[ . 1 . 2]"
1 63 GLY 3.241 0.196 20 0 "[ . 1 . 2]"
1 64 GLU 4.264 0.154 8 0 "[ . 1 . 2]"
1 65 THR 2.517 0.169 19 0 "[ . 1 . 2]"
1 66 TRP 2.616 0.169 19 0 "[ . 1 . 2]"
1 67 ARG 7.186 0.323 5 0 "[ . 1 . 2]"
1 68 ALA 5.202 0.255 3 0 "[ . 1 . 2]"
1 69 THR 2.260 0.188 12 0 "[ . 1 . 2]"
1 70 SER 2.318 0.188 12 0 "[ . 1 . 2]"
1 71 GLY 0.297 0.172 12 0 "[ . 1 . 2]"
1 72 THR 3.933 0.180 12 0 "[ . 1 . 2]"
1 73 VAL 2.960 0.180 12 0 "[ . 1 . 2]"
1 74 LEU 1.627 0.164 3 0 "[ . 1 . 2]"
1 75 ASP 5.127 0.256 5 0 "[ . 1 . 2]"
1 76 VAL 3.384 0.256 5 0 "[ . 1 . 2]"
1 77 GLY 0.236 0.074 15 0 "[ . 1 . 2]"
1 78 GLU 12.321 0.282 5 0 "[ . 1 . 2]"
1 79 GLU 6.365 0.282 5 0 "[ . 1 . 2]"
1 80 VAL 8.653 0.307 12 0 "[ . 1 . 2]"
1 81 SER 2.299 0.136 20 0 "[ . 1 . 2]"
1 82 VAL 2.550 0.138 13 0 "[ . 1 . 2]"
1 83 LYS 10.069 0.299 15 0 "[ . 1 . 2]"
1 84 ALA 0.617 0.084 5 0 "[ . 1 . 2]"
1 85 ILE 1.737 0.223 15 0 "[ . 1 . 2]"
1 86 GLU 1.638 0.226 17 0 "[ . 1 . 2]"
1 87 GLY 2.720 0.223 15 0 "[ . 1 . 2]"
1 88 VAL 2.788 0.187 4 0 "[ . 1 . 2]"
1 89 LYS 2.096 0.239 8 0 "[ . 1 . 2]"
1 90 LEU 3.791 0.183 6 0 "[ . 1 . 2]"
1 91 VAL 2.539 0.183 6 0 "[ . 1 . 2]"
1 92 VAL 1.207 0.091 6 0 "[ . 1 . 2]"
1 93 GLU 4.889 0.245 20 0 "[ . 1 . 2]"
1 94 LYS 5.412 0.231 3 0 "[ . 1 . 2]"
1 95 LEU 10.193 0.464 6 0 "[ . 1 . 2]"
1 96 GLU 3.233 0.197 2 0 "[ . 1 . 2]"
1 97 GLU 1.511 0.174 16 0 "[ . 1 . 2]"
1 98 GLN 0.174 0.174 16 0 "[ . 1 . 2]"
1 99 LYS 0.028 0.028 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 15 GLU H 1 15 GLU QG 4.340 . 6.880 3.115 1.828 4.343 . 0 0 "[ . 1 . 2]" 1
2 1 16 ASN HA 1 17 LEU H 2.600 . 3.410 2.375 2.117 3.047 . 0 0 "[ . 1 . 2]" 1
3 1 17 LEU H 1 17 LEU HB2 2.940 . 4.090 2.773 2.369 3.895 . 0 0 "[ . 1 . 2]" 1
4 1 17 LEU H 1 17 LEU QB 2.770 . 3.750 2.579 2.339 3.405 . 0 0 "[ . 1 . 2]" 1
5 1 17 LEU H 1 17 LEU HB3 2.940 . 4.090 3.568 2.856 4.108 0.018 3 0 "[ . 1 . 2]" 1
6 1 17 LEU H 1 17 LEU HG 2.670 . 3.550 2.699 1.761 3.568 0.029 18 0 "[ . 1 . 2]" 1
7 1 17 LEU HA 1 17 LEU MD1 4.210 . 6.620 3.726 3.016 4.094 . 0 0 "[ . 1 . 2]" 1
8 1 17 LEU HA 1 17 LEU MD2 4.210 . 6.620 2.630 1.933 4.067 . 0 0 "[ . 1 . 2]" 1
9 1 17 LEU HA 1 17 LEU HG 2.850 . 3.910 3.132 2.372 3.709 . 0 0 "[ . 1 . 2]" 1
10 1 17 LEU HA 1 18 TYR H 2.530 . 3.260 2.440 2.145 3.227 . 0 0 "[ . 1 . 2]" 1
11 1 17 LEU QB 1 17 LEU HG 2.190 . 2.580 2.382 2.343 2.466 . 0 0 "[ . 1 . 2]" 1
12 1 18 TYR H 1 18 TYR HB2 2.760 . 3.730 2.781 2.231 3.839 0.109 5 0 "[ . 1 . 2]" 1
13 1 18 TYR H 1 18 TYR QB 2.650 . 3.500 2.487 2.163 3.206 . 0 0 "[ . 1 . 2]" 1
14 1 18 TYR H 1 18 TYR HB3 2.760 . 3.730 3.112 2.375 3.654 . 0 0 "[ . 1 . 2]" 1
15 1 18 TYR HA 1 19 PHE H 2.600 . 3.410 2.325 2.096 3.276 . 0 0 "[ . 1 . 2]" 1
16 1 19 PHE H 1 19 PHE HB2 2.820 . 3.840 3.005 2.457 3.689 . 0 0 "[ . 1 . 2]" 1
17 1 19 PHE H 1 19 PHE QB 2.730 . 3.670 2.615 2.270 3.033 . 0 0 "[ . 1 . 2]" 1
18 1 19 PHE H 1 19 PHE HB3 2.820 . 3.840 3.068 2.426 3.784 . 0 0 "[ . 1 . 2]" 1
19 1 20 GLN H 1 20 GLN QB 2.810 . 3.820 2.559 2.240 3.264 . 0 0 "[ . 1 . 2]" 1
20 1 20 GLN H 1 20 GLN QG 4.070 . 6.340 3.221 1.859 4.472 . 0 0 "[ . 1 . 2]" 1
21 1 20 GLN HB2 1 20 GLN HE22 4.760 . 7.730 4.277 3.845 5.125 . 0 0 "[ . 1 . 2]" 1
22 1 20 GLN HB3 1 20 GLN HE22 4.760 . 7.730 4.507 3.729 5.408 . 0 0 "[ . 1 . 2]" 1
23 1 23 MET HA 1 24 ALA H 2.670 . 3.550 2.473 2.131 3.574 0.024 12 0 "[ . 1 . 2]" 1
24 1 24 ALA HA 1 25 ALA H 2.620 . 3.440 2.372 2.141 3.171 . 0 0 "[ . 1 . 2]" 1
25 1 25 ALA HA 1 26 ARG H 2.580 . 3.370 2.447 2.119 3.211 . 0 0 "[ . 1 . 2]" 1
26 1 26 ARG H 1 26 ARG QG 4.340 . 6.880 3.293 1.780 4.285 0.020 14 0 "[ . 1 . 2]" 1
27 1 26 ARG HA 1 27 ILE H 2.350 . 2.900 2.305 2.111 3.052 0.152 3 0 "[ . 1 . 2]" 1
28 1 27 ILE H 1 27 ILE HB 2.710 . 3.620 3.086 2.367 3.740 0.120 16 0 "[ . 1 . 2]" 1
29 1 27 ILE H 1 27 ILE HG12 3.050 . 4.310 3.147 1.829 4.334 0.024 10 0 "[ . 1 . 2]" 1
30 1 27 ILE H 1 27 ILE HG13 3.050 . 4.310 2.993 1.706 4.594 0.284 10 0 "[ . 1 . 2]" 1
31 1 27 ILE HA 1 28 THR H 2.640 . 3.480 2.389 2.120 3.590 0.110 11 0 "[ . 1 . 2]" 1
32 1 28 THR H 1 28 THR HB 2.940 . 4.090 3.318 2.568 3.865 . 0 0 "[ . 1 . 2]" 1
33 1 28 THR HB 1 29 GLY H 3.720 . 5.640 3.451 1.920 4.325 . 0 0 "[ . 1 . 2]" 1
34 1 30 GLU H 1 30 GLU HB2 2.910 . 4.020 2.945 2.467 3.895 . 0 0 "[ . 1 . 2]" 1
35 1 30 GLU H 1 30 GLU QB 2.750 . 3.710 2.693 2.364 3.328 . 0 0 "[ . 1 . 2]" 1
36 1 30 GLU H 1 30 GLU HB3 2.910 . 4.020 3.549 2.519 4.114 0.094 1 0 "[ . 1 . 2]" 1
37 1 30 GLU H 1 30 GLU QG 3.960 . 6.130 2.783 1.728 4.030 0.062 4 0 "[ . 1 . 2]" 1
38 1 30 GLU HA 1 31 PRO HD2 2.310 . 2.830 2.540 1.830 2.910 0.080 4 0 "[ . 1 . 2]" 1
39 1 30 GLU HA 1 31 PRO HD3 2.310 . 2.830 2.184 1.810 2.773 . 0 0 "[ . 1 . 2]" 1
40 1 30 GLU QB 1 31 PRO QD 3.380 . 4.970 2.846 2.040 3.733 . 0 0 "[ . 1 . 2]" 1
41 1 30 GLU HB2 1 31 PRO HD2 3.870 . 5.940 4.002 2.203 5.284 . 0 0 "[ . 1 . 2]" 1
42 1 30 GLU HB2 1 31 PRO HD3 3.870 . 5.940 4.385 2.989 5.260 . 0 0 "[ . 1 . 2]" 1
43 1 30 GLU HB3 1 31 PRO HD2 3.870 . 5.940 3.441 2.071 4.712 . 0 0 "[ . 1 . 2]" 1
44 1 30 GLU HB3 1 31 PRO HD3 3.870 . 5.940 4.025 3.069 4.956 . 0 0 "[ . 1 . 2]" 1
45 1 31 PRO HA 1 32 SER H 2.620 . 3.440 2.613 2.155 3.554 0.114 6 0 "[ . 1 . 2]" 1
46 1 33 LYS H 1 33 LYS HG2 3.900 . 6.000 3.429 1.752 5.244 0.048 18 0 "[ . 1 . 2]" 1
47 1 33 LYS H 1 33 LYS HG3 3.900 . 6.000 3.560 2.169 4.841 . 0 0 "[ . 1 . 2]" 1
48 1 34 LYS H 1 34 LYS HB2 2.710 . 3.620 2.864 2.322 3.680 0.060 14 0 "[ . 1 . 2]" 1
49 1 34 LYS H 1 34 LYS HB3 2.710 . 3.620 3.031 2.395 3.726 0.106 1 0 "[ . 1 . 2]" 1
50 1 34 LYS H 1 34 LYS QG 4.340 . 6.880 3.396 1.841 4.244 . 0 0 "[ . 1 . 2]" 1
51 1 34 LYS HA 1 34 LYS QD 4.340 . 6.880 3.964 2.097 4.491 . 0 0 "[ . 1 . 2]" 1
52 1 34 LYS HA 1 35 ALA H 2.440 . 3.080 2.461 2.112 3.258 0.178 15 0 "[ . 1 . 2]" 1
53 1 34 LYS QB 1 35 ALA H 3.050 . 4.300 3.572 1.983 4.060 . 0 0 "[ . 1 . 2]" 1
54 1 34 LYS HB2 1 35 ALA H 3.290 . 4.780 4.259 3.322 4.688 . 0 0 "[ . 1 . 2]" 1
55 1 34 LYS HB3 1 35 ALA H 3.290 . 4.780 3.927 1.998 4.524 . 0 0 "[ . 1 . 2]" 1
56 1 35 ALA HA 1 36 VAL H 2.300 . 2.800 2.375 2.122 2.906 0.106 19 0 "[ . 1 . 2]" 1
57 1 35 ALA MB 1 36 VAL H 3.060 . 4.320 2.835 1.871 3.658 . 0 0 "[ . 1 . 2]" 1
58 1 36 VAL H 1 36 VAL HB 2.510 . 3.230 2.744 2.470 3.321 0.091 12 0 "[ . 1 . 2]" 1
59 1 36 VAL H 1 36 VAL MG1 3.200 . 4.610 2.796 1.806 3.857 . 0 0 "[ . 1 . 2]" 1
60 1 36 VAL H 1 36 VAL QG 2.910 . 4.020 1.982 1.735 2.295 0.065 5 0 "[ . 1 . 2]" 1
61 1 36 VAL H 1 36 VAL MG2 3.200 . 4.610 3.002 1.738 3.944 0.052 5 0 "[ . 1 . 2]" 1
62 1 36 VAL H 1 37 SER H 3.090 . 4.380 4.149 2.127 4.553 0.173 17 0 "[ . 1 . 2]" 1
63 1 36 VAL HA 1 37 SER H 2.490 . 3.190 2.302 2.072 3.390 0.200 15 0 "[ . 1 . 2]" 1
64 1 36 VAL HA 1 40 LEU QD 4.280 . 6.770 4.043 2.887 5.152 . 0 0 "[ . 1 . 2]" 1
65 1 36 VAL HB 1 37 SER H 2.930 . 4.060 4.126 3.136 4.300 0.240 2 0 "[ . 1 . 2]" 1
66 1 36 VAL HB 1 85 ILE MD 4.350 . 6.910 4.183 2.885 5.146 . 0 0 "[ . 1 . 2]" 1
67 1 36 VAL HB 1 85 ILE MG 4.410 . 7.020 4.205 2.058 6.137 . 0 0 "[ . 1 . 2]" 1
68 1 36 VAL QG 1 37 SER H 3.710 . 5.630 2.765 2.343 3.464 . 0 0 "[ . 1 . 2]" 1
69 1 36 VAL QG 1 40 LEU QD 6.280 . 10.770 2.770 1.916 4.129 . 0 0 "[ . 1 . 2]" 1
70 1 36 VAL QG 1 66 TRP HE3 4.980 . 8.170 4.633 2.847 5.932 . 0 0 "[ . 1 . 2]" 1
71 1 36 VAL QG 1 88 VAL HA 4.010 . 6.230 4.760 3.397 6.020 . 0 0 "[ . 1 . 2]" 1
72 1 36 VAL QG 1 90 LEU MD2 5.080 . 8.360 3.427 1.742 4.437 0.058 20 0 "[ . 1 . 2]" 1
73 1 36 VAL MG1 1 37 SER H 3.940 . 6.080 3.455 2.695 4.248 . 0 0 "[ . 1 . 2]" 1
74 1 36 VAL MG1 1 88 VAL HA 4.410 . 7.020 5.729 3.581 7.080 0.060 12 0 "[ . 1 . 2]" 1
75 1 36 VAL MG2 1 37 SER H 3.940 . 6.080 3.483 2.364 4.274 . 0 0 "[ . 1 . 2]" 1
76 1 36 VAL MG2 1 88 VAL HA 4.410 . 7.020 5.274 3.486 6.516 . 0 0 "[ . 1 . 2]" 1
77 1 37 SER H 1 37 SER HB2 2.850 . 3.910 2.698 2.488 3.619 . 0 0 "[ . 1 . 2]" 1
78 1 37 SER H 1 37 SER HB3 2.850 . 3.910 3.542 2.455 4.089 0.179 20 0 "[ . 1 . 2]" 1
79 1 37 SER H 1 38 ASP H 3.360 . 4.920 4.239 2.118 4.629 . 0 0 "[ . 1 . 2]" 1
80 1 37 SER H 1 40 LEU QD 4.230 . 6.660 3.761 2.303 5.631 . 0 0 "[ . 1 . 2]" 1
81 1 37 SER HA 1 38 ASP H 2.490 . 3.190 2.419 2.122 3.380 0.190 19 0 "[ . 1 . 2]" 1
82 1 37 SER QB 1 38 ASP H 2.770 . 3.750 2.963 2.096 3.702 . 0 0 "[ . 1 . 2]" 1
83 1 37 SER HB2 1 38 ASP H 2.980 . 4.160 3.804 2.851 4.383 0.223 3 0 "[ . 1 . 2]" 1
84 1 37 SER HB3 1 38 ASP H 2.980 . 4.160 3.191 2.122 4.222 0.062 19 0 "[ . 1 . 2]" 1
85 1 38 ASP H 1 38 ASP HB2 2.800 . 3.800 3.407 2.332 3.837 0.037 15 0 "[ . 1 . 2]" 1
86 1 38 ASP H 1 38 ASP QB 2.690 . 3.590 2.629 2.304 3.256 . 0 0 "[ . 1 . 2]" 1
87 1 38 ASP H 1 38 ASP HB3 2.800 . 3.800 2.970 2.399 4.120 0.320 12 0 "[ . 1 . 2]" 1
88 1 38 ASP H 1 39 ARG H 2.930 . 4.060 2.690 1.794 3.488 0.006 15 0 "[ . 1 . 2]" 1
89 1 38 ASP HA 1 41 ILE H 2.840 . 3.880 3.515 3.052 3.958 0.078 15 0 "[ . 1 . 2]" 1
90 1 38 ASP HA 1 41 ILE MD 3.290 . 4.790 3.774 3.346 4.304 . 0 0 "[ . 1 . 2]" 1
91 1 38 ASP HA 1 41 ILE HG12 2.870 . 3.950 2.515 1.827 3.225 . 0 0 "[ . 1 . 2]" 1
92 1 38 ASP HA 1 41 ILE HG13 3.900 . 6.000 3.388 2.461 4.193 . 0 0 "[ . 1 . 2]" 1
93 1 38 ASP HA 1 85 ILE MD 3.560 . 5.330 3.342 2.001 4.811 . 0 0 "[ . 1 . 2]" 1
94 1 38 ASP QB 1 41 ILE MD 3.720 . 5.650 4.422 3.464 4.988 . 0 0 "[ . 1 . 2]" 1
95 1 38 ASP HB2 1 41 ILE MD 3.850 . 5.900 4.963 3.581 6.015 0.115 12 0 "[ . 1 . 2]" 1
96 1 38 ASP HB3 1 41 ILE MD 3.850 . 5.900 5.193 4.477 5.926 0.026 3 0 "[ . 1 . 2]" 1
97 1 39 ARG H 1 39 ARG HG2 3.160 . 4.520 3.027 1.970 4.677 0.157 3 0 "[ . 1 . 2]" 1
98 1 39 ARG H 1 39 ARG QG 3.020 . 4.250 2.529 1.862 4.174 . 0 0 "[ . 1 . 2]" 1
99 1 39 ARG H 1 39 ARG HG3 3.160 . 4.520 3.244 1.881 4.695 0.175 3 0 "[ . 1 . 2]" 1
100 1 39 ARG H 1 40 LEU H 2.660 . 3.520 2.524 1.626 2.796 0.174 3 0 "[ . 1 . 2]" 1
101 1 39 ARG H 1 41 ILE H 3.360 . 4.920 4.087 3.103 4.443 . 0 0 "[ . 1 . 2]" 1
102 1 39 ARG HA 1 41 ILE H 3.180 . 4.560 3.627 3.197 3.894 . 0 0 "[ . 1 . 2]" 1
103 1 39 ARG QG 1 40 LEU H 3.740 . 5.690 4.049 2.711 4.889 . 0 0 "[ . 1 . 2]" 1
104 1 40 LEU H 1 40 LEU HB2 2.670 . 3.550 2.589 2.402 3.685 0.135 12 0 "[ . 1 . 2]" 1
105 1 40 LEU H 1 40 LEU HB3 2.670 . 3.550 3.561 2.752 3.676 0.126 15 0 "[ . 1 . 2]" 1
106 1 40 LEU H 1 40 LEU MD1 3.510 . 5.220 3.612 1.776 3.992 0.024 6 0 "[ . 1 . 2]" 1
107 1 40 LEU H 1 40 LEU QD 3.310 . 4.820 2.994 1.702 3.305 0.098 12 0 "[ . 1 . 2]" 1
108 1 40 LEU H 1 40 LEU MD2 3.510 . 5.220 3.354 1.704 4.073 0.096 12 0 "[ . 1 . 2]" 1
109 1 40 LEU H 1 40 LEU HG 2.400 . 3.010 2.465 1.789 3.125 0.115 6 0 "[ . 1 . 2]" 1
110 1 40 LEU H 1 41 ILE H 2.420 . 3.050 2.283 2.012 2.530 . 0 0 "[ . 1 . 2]" 1
111 1 40 LEU H 1 41 ILE MD 4.030 . 6.260 4.341 3.989 4.751 . 0 0 "[ . 1 . 2]" 1
112 1 40 LEU H 1 85 ILE MD 4.410 . 7.020 4.389 2.673 5.837 . 0 0 "[ . 1 . 2]" 1
113 1 40 LEU HA 1 40 LEU MD1 4.120 . 6.440 3.844 3.447 4.032 . 0 0 "[ . 1 . 2]" 1
114 1 40 LEU HA 1 40 LEU MD2 4.120 . 6.440 2.290 1.944 4.053 . 0 0 "[ . 1 . 2]" 1
115 1 40 LEU HA 1 40 LEU HG 2.800 . 3.800 3.196 2.517 3.668 . 0 0 "[ . 1 . 2]" 1
116 1 40 LEU HA 1 43 ARG QB 3.310 . 4.830 3.188 2.368 3.662 . 0 0 "[ . 1 . 2]" 1
117 1 40 LEU QB 1 41 ILE H 3.000 . 4.210 3.197 2.936 3.883 . 0 0 "[ . 1 . 2]" 1
118 1 40 LEU QB 1 41 ILE MD 4.540 . 7.290 3.454 3.085 4.102 . 0 0 "[ . 1 . 2]" 1
119 1 40 LEU QB 1 82 VAL MG1 4.410 . 7.030 3.235 2.385 4.878 . 0 0 "[ . 1 . 2]" 1
120 1 40 LEU HB2 1 41 ILE H 3.210 . 4.630 3.337 3.015 4.268 . 0 0 "[ . 1 . 2]" 1
121 1 40 LEU HB3 1 41 ILE H 3.210 . 4.630 4.176 4.022 4.489 . 0 0 "[ . 1 . 2]" 1
122 1 40 LEU QD 1 41 ILE H 4.770 . 7.740 4.118 2.942 4.385 . 0 0 "[ . 1 . 2]" 1
123 1 40 LEU QD 1 61 VAL MG1 5.170 . 8.540 2.065 1.717 2.685 0.083 19 0 "[ . 1 . 2]" 1
124 1 40 LEU QD 1 61 VAL MG2 5.690 . 9.590 3.178 2.329 4.050 . 0 0 "[ . 1 . 2]" 1
125 1 40 LEU QD 1 62 ASP QB 5.160 . 8.520 3.654 1.900 5.327 . 0 0 "[ . 1 . 2]" 1
126 1 40 LEU QD 1 66 TRP HE1 3.660 . 5.530 3.118 2.380 3.974 . 0 0 "[ . 1 . 2]" 1
127 1 40 LEU QD 1 66 TRP HE3 5.150 . 8.500 5.067 3.892 6.199 . 0 0 "[ . 1 . 2]" 1
128 1 40 LEU QD 1 66 TRP HH2 4.970 . 8.140 4.359 3.089 5.315 . 0 0 "[ . 1 . 2]" 1
129 1 40 LEU QD 1 66 TRP HZ2 3.520 . 5.240 3.326 2.568 3.911 . 0 0 "[ . 1 . 2]" 1
130 1 40 LEU MD1 1 62 ASP HB2 5.950 . 10.110 6.056 3.467 8.550 . 0 0 "[ . 1 . 2]" 1
131 1 40 LEU MD1 1 62 ASP HB3 5.950 . 10.110 5.918 3.848 8.812 . 0 0 "[ . 1 . 2]" 1
132 1 40 LEU MD1 1 66 TRP HD1 4.410 . 7.020 4.343 3.272 6.027 . 0 0 "[ . 1 . 2]" 1
133 1 40 LEU MD1 1 66 TRP HE1 3.880 . 5.970 3.483 2.594 4.317 . 0 0 "[ . 1 . 2]" 1
134 1 40 LEU MD1 1 66 TRP HZ2 3.740 . 5.690 3.559 2.842 4.598 . 0 0 "[ . 1 . 2]" 1
135 1 40 LEU MD2 1 62 ASP HB2 5.950 . 10.110 4.209 1.937 6.622 . 0 0 "[ . 1 . 2]" 1
136 1 40 LEU MD2 1 62 ASP HB3 5.950 . 10.110 4.350 2.628 6.986 . 0 0 "[ . 1 . 2]" 1
137 1 40 LEU MD2 1 66 TRP HD1 4.410 . 7.020 4.935 3.644 5.871 . 0 0 "[ . 1 . 2]" 1
138 1 40 LEU MD2 1 66 TRP HE1 3.880 . 5.970 3.906 2.394 4.925 . 0 0 "[ . 1 . 2]" 1
139 1 40 LEU MD2 1 66 TRP HZ2 3.740 . 5.690 4.509 2.655 5.716 0.026 4 0 "[ . 1 . 2]" 1
140 1 40 LEU HG 1 41 ILE H 3.770 . 5.750 4.347 2.827 4.862 . 0 0 "[ . 1 . 2]" 1
141 1 41 ILE H 1 41 ILE HB 2.300 . 2.800 2.523 2.455 2.603 . 0 0 "[ . 1 . 2]" 1
142 1 41 ILE H 1 41 ILE MD 3.180 . 4.570 3.222 2.985 3.379 . 0 0 "[ . 1 . 2]" 1
143 1 41 ILE H 1 41 ILE HG12 2.440 . 3.080 2.181 1.999 2.338 . 0 0 "[ . 1 . 2]" 1
144 1 41 ILE H 1 41 ILE HG13 2.890 . 3.980 3.668 3.531 3.803 . 0 0 "[ . 1 . 2]" 1
145 1 41 ILE H 1 41 ILE MG 3.270 . 4.750 3.784 3.767 3.810 . 0 0 "[ . 1 . 2]" 1
146 1 41 ILE H 1 42 GLY H 3.290 . 4.780 4.518 4.294 4.601 . 0 0 "[ . 1 . 2]" 1
147 1 41 ILE H 1 82 VAL MG1 3.630 . 5.470 4.568 3.845 5.198 . 0 0 "[ . 1 . 2]" 1
148 1 41 ILE H 1 85 ILE MD 4.410 . 7.020 4.513 3.811 5.297 . 0 0 "[ . 1 . 2]" 1
149 1 41 ILE HA 1 41 ILE HG12 2.930 . 4.060 3.124 3.035 3.240 . 0 0 "[ . 1 . 2]" 1
150 1 41 ILE HA 1 41 ILE HG13 2.980 . 4.160 3.746 3.709 3.773 . 0 0 "[ . 1 . 2]" 1
151 1 41 ILE HA 1 42 GLY H 2.240 . 2.690 2.143 2.130 2.168 . 0 0 "[ . 1 . 2]" 1
152 1 41 ILE HA 1 42 GLY HA2 3.070 . 4.340 4.373 4.344 4.423 0.083 6 0 "[ . 1 . 2]" 1
153 1 41 ILE HA 1 42 GLY HA3 3.070 . 4.340 4.390 4.359 4.416 0.076 6 0 "[ . 1 . 2]" 1
154 1 41 ILE HA 1 43 ARG H 2.850 . 3.910 3.418 3.119 3.702 . 0 0 "[ . 1 . 2]" 1
155 1 41 ILE HA 1 82 VAL HB 2.600 . 3.410 2.963 2.304 3.443 0.033 17 0 "[ . 1 . 2]" 1
156 1 41 ILE HA 1 82 VAL MG1 3.150 . 4.500 2.819 2.421 3.213 . 0 0 "[ . 1 . 2]" 1
157 1 41 ILE HA 1 82 VAL MG2 3.960 . 6.120 4.325 3.487 4.853 . 0 0 "[ . 1 . 2]" 1
158 1 41 ILE HB 1 42 GLY H 3.070 . 4.340 4.257 4.057 4.447 0.107 17 0 "[ . 1 . 2]" 1
159 1 41 ILE MD 1 42 GLY H 3.260 . 4.720 3.682 3.540 3.843 . 0 0 "[ . 1 . 2]" 1
160 1 41 ILE MD 1 84 ALA H 3.830 . 5.870 3.842 3.084 5.089 . 0 0 "[ . 1 . 2]" 1
161 1 41 ILE MD 1 84 ALA HA 3.240 . 4.680 2.450 1.759 4.419 0.041 15 0 "[ . 1 . 2]" 1
162 1 41 ILE MD 1 85 ILE H 3.800 . 5.800 3.424 2.523 4.887 . 0 0 "[ . 1 . 2]" 1
163 1 41 ILE HG12 1 42 GLY H 3.900 . 6.000 5.144 5.075 5.257 . 0 0 "[ . 1 . 2]" 1
164 1 41 ILE HG12 1 82 VAL MG1 3.940 . 6.080 4.333 3.710 4.889 . 0 0 "[ . 1 . 2]" 1
165 1 41 ILE HG12 1 85 ILE MD 3.580 . 5.360 3.293 2.657 3.887 . 0 0 "[ . 1 . 2]" 1
166 1 41 ILE HG13 1 41 ILE MG 2.610 . 3.420 2.345 2.308 2.364 . 0 0 "[ . 1 . 2]" 1
167 1 41 ILE HG13 1 84 ALA HA 3.520 . 5.240 4.323 3.474 5.254 0.014 12 0 "[ . 1 . 2]" 1
168 1 41 ILE MG 1 42 GLY H 3.150 . 4.500 2.793 2.504 3.293 . 0 0 "[ . 1 . 2]" 1
169 1 41 ILE MG 1 42 GLY HA2 4.080 . 6.370 3.635 3.446 3.966 . 0 0 "[ . 1 . 2]" 1
170 1 41 ILE MG 1 42 GLY QA 4.010 . 6.220 3.108 2.814 3.410 . 0 0 "[ . 1 . 2]" 1
171 1 41 ILE MG 1 42 GLY HA3 4.080 . 6.370 3.384 2.984 3.717 . 0 0 "[ . 1 . 2]" 1
172 1 41 ILE MG 1 83 LYS HA 3.380 . 4.970 3.559 2.616 4.685 . 0 0 "[ . 1 . 2]" 1
173 1 41 ILE MG 1 84 ALA HA 3.000 . 4.210 3.382 2.696 3.845 . 0 0 "[ . 1 . 2]" 1
174 1 42 GLY H 1 43 ARG H 2.510 . 3.230 2.353 2.098 2.569 . 0 0 "[ . 1 . 2]" 1
175 1 42 GLY H 1 82 VAL H 3.120 . 4.450 3.876 3.572 4.125 . 0 0 "[ . 1 . 2]" 1
176 1 42 GLY H 1 82 VAL HB 2.570 . 3.340 2.751 1.906 3.192 . 0 0 "[ . 1 . 2]" 1
177 1 42 GLY H 1 82 VAL MG1 3.360 . 4.930 3.525 2.791 3.899 . 0 0 "[ . 1 . 2]" 1
178 1 42 GLY H 1 82 VAL MG2 3.990 . 6.190 4.285 3.445 4.666 . 0 0 "[ . 1 . 2]" 1
179 1 43 ARG H 1 43 ARG HB2 2.730 . 3.660 2.471 2.331 2.629 . 0 0 "[ . 1 . 2]" 1
180 1 43 ARG H 1 43 ARG QB 2.570 . 3.350 2.435 2.303 2.581 . 0 0 "[ . 1 . 2]" 1
181 1 43 ARG H 1 43 ARG HB3 2.730 . 3.660 3.675 3.601 3.779 0.119 15 0 "[ . 1 . 2]" 1
182 1 43 ARG H 1 43 ARG QD 3.620 . 5.440 4.191 3.640 4.741 . 0 0 "[ . 1 . 2]" 1
183 1 43 ARG H 1 43 ARG QG 3.400 . 5.010 2.790 2.262 3.330 . 0 0 "[ . 1 . 2]" 1
184 1 43 ARG H 1 82 VAL H 2.980 . 4.160 3.602 3.069 4.149 . 0 0 "[ . 1 . 2]" 1
185 1 43 ARG H 1 82 VAL HB 2.490 . 3.190 2.966 2.588 3.229 0.039 13 0 "[ . 1 . 2]" 1
186 1 43 ARG H 1 82 VAL MG1 3.600 . 5.400 4.354 3.964 4.679 . 0 0 "[ . 1 . 2]" 1
187 1 43 ARG H 1 82 VAL MG2 3.690 . 5.580 3.812 3.430 4.199 . 0 0 "[ . 1 . 2]" 1
188 1 43 ARG HA 1 44 LYS H 2.260 . 2.720 2.415 2.289 2.552 . 0 0 "[ . 1 . 2]" 1
189 1 43 ARG QB 1 44 LYS H 2.620 . 3.440 2.325 2.045 2.622 . 0 0 "[ . 1 . 2]" 1
190 1 43 ARG QB 1 61 VAL MG1 3.930 . 6.060 3.192 2.267 4.362 . 0 0 "[ . 1 . 2]" 1
191 1 43 ARG HB2 1 44 LYS H 2.730 . 3.660 3.628 3.209 3.771 0.111 9 0 "[ . 1 . 2]" 1
192 1 43 ARG HB3 1 44 LYS H 2.730 . 3.660 2.354 2.063 2.675 . 0 0 "[ . 1 . 2]" 1
193 1 43 ARG QG 1 44 LYS H 3.940 . 6.090 3.932 3.244 4.443 . 0 0 "[ . 1 . 2]" 1
194 1 44 LYS H 1 44 LYS HB2 2.460 . 3.120 2.545 2.141 2.793 . 0 0 "[ . 1 . 2]" 1
195 1 44 LYS H 1 44 LYS HB3 2.460 . 3.120 2.755 2.414 3.535 0.415 4 0 "[ . 1 . 2]" 1
196 1 44 LYS H 1 44 LYS HG2 3.140 . 4.490 4.319 3.838 4.488 . 0 0 "[ . 1 . 2]" 1
197 1 44 LYS H 1 44 LYS QG 2.920 . 4.050 3.746 2.691 4.055 0.005 9 0 "[ . 1 . 2]" 1
198 1 44 LYS H 1 44 LYS HG3 3.140 . 4.490 4.199 2.749 4.638 0.148 9 0 "[ . 1 . 2]" 1
199 1 44 LYS H 1 45 GLY H 3.430 . 5.060 4.580 4.556 4.620 . 0 0 "[ . 1 . 2]" 1
200 1 44 LYS HA 1 44 LYS QG 2.820 . 3.850 2.393 2.102 2.507 . 0 0 "[ . 1 . 2]" 1
201 1 44 LYS HA 1 45 GLY H 2.210 . 2.620 2.233 2.189 2.392 . 0 0 "[ . 1 . 2]" 1
202 1 44 LYS HA 1 81 SER HA 2.390 . 2.980 2.482 2.147 2.971 . 0 0 "[ . 1 . 2]" 1
203 1 44 LYS HA 1 81 SER QB 4.050 . 6.310 4.080 3.405 4.730 . 0 0 "[ . 1 . 2]" 1
204 1 44 LYS HA 1 82 VAL H 2.800 . 3.800 3.634 3.321 3.823 0.023 18 0 "[ . 1 . 2]" 1
205 1 44 LYS QB 1 45 GLY H 2.780 . 3.760 3.339 2.415 3.608 . 0 0 "[ . 1 . 2]" 1
206 1 44 LYS HB2 1 45 GLY H 2.930 . 4.060 4.070 3.839 4.245 0.185 10 0 "[ . 1 . 2]" 1
207 1 44 LYS HB3 1 45 GLY H 2.930 . 4.060 3.615 2.441 4.048 . 0 0 "[ . 1 . 2]" 1
208 1 44 LYS QG 1 45 GLY H 3.420 . 5.050 2.628 2.007 3.716 . 0 0 "[ . 1 . 2]" 1
209 1 44 LYS HG2 1 45 GLY H 3.590 . 5.390 2.720 2.053 3.866 . 0 0 "[ . 1 . 2]" 1
210 1 44 LYS HG3 1 45 GLY H 3.590 . 5.390 3.585 2.778 4.844 . 0 0 "[ . 1 . 2]" 1
211 1 45 GLY H 1 46 VAL H 3.050 . 4.310 4.399 4.215 4.450 0.140 9 0 "[ . 1 . 2]" 1
212 1 45 GLY H 1 61 VAL MG2 3.670 . 5.540 4.727 3.887 5.571 0.031 10 0 "[ . 1 . 2]" 1
213 1 45 GLY H 1 79 GLU HA 3.140 . 4.490 4.458 4.266 4.528 0.038 2 0 "[ . 1 . 2]" 1
214 1 45 GLY H 1 80 VAL H 2.570 . 3.340 2.801 2.668 2.951 . 0 0 "[ . 1 . 2]" 1
215 1 45 GLY H 1 80 VAL MG2 3.150 . 4.500 2.915 2.605 3.236 . 0 0 "[ . 1 . 2]" 1
216 1 45 GLY H 1 81 SER HA 2.870 . 3.950 3.440 3.069 3.730 . 0 0 "[ . 1 . 2]" 1
217 1 45 GLY QA 1 46 VAL H 2.330 . 2.860 2.257 2.121 2.300 . 0 0 "[ . 1 . 2]" 1
218 1 45 GLY QA 1 59 VAL QG 4.700 . 7.610 3.440 2.132 3.903 . 0 0 "[ . 1 . 2]" 1
219 1 45 GLY QA 1 61 VAL HA 3.100 . 4.400 3.146 2.567 4.426 0.026 5 0 "[ . 1 . 2]" 1
220 1 45 GLY QA 1 61 VAL MG2 3.470 . 5.140 2.629 1.786 3.443 0.014 12 0 "[ . 1 . 2]" 1
221 1 45 GLY QA 1 80 VAL MG2 4.220 . 6.640 2.821 2.397 3.313 . 0 0 "[ . 1 . 2]" 1
222 1 45 GLY HA2 1 46 VAL H 2.420 . 3.050 2.430 2.158 2.674 . 0 0 "[ . 1 . 2]" 1
223 1 45 GLY HA2 1 61 VAL MG2 3.700 . 5.610 3.396 2.522 4.392 . 0 0 "[ . 1 . 2]" 1
224 1 45 GLY HA3 1 46 VAL H 2.420 . 3.050 2.749 2.491 3.115 0.065 12 0 "[ . 1 . 2]" 1
225 1 45 GLY HA3 1 61 VAL MG2 3.700 . 5.610 2.788 1.822 3.724 . 0 0 "[ . 1 . 2]" 1
226 1 46 VAL H 1 46 VAL HB 2.510 . 3.230 3.034 2.810 3.147 . 0 0 "[ . 1 . 2]" 1
227 1 46 VAL H 1 46 VAL MG1 3.340 . 4.890 2.060 1.917 2.160 . 0 0 "[ . 1 . 2]" 1
228 1 46 VAL H 1 46 VAL MG2 3.340 . 4.890 3.890 3.823 3.928 . 0 0 "[ . 1 . 2]" 1
229 1 46 VAL H 1 59 VAL HB 3.680 . 5.570 3.656 3.006 5.024 . 0 0 "[ . 1 . 2]" 1
230 1 46 VAL H 1 59 VAL MG1 3.630 . 5.470 4.198 2.159 4.760 . 0 0 "[ . 1 . 2]" 1
231 1 46 VAL H 1 59 VAL QG 3.290 . 4.780 3.884 2.155 4.378 . 0 0 "[ . 1 . 2]" 1
232 1 46 VAL H 1 59 VAL MG2 3.630 . 5.470 4.753 4.404 5.110 . 0 0 "[ . 1 . 2]" 1
233 1 46 VAL H 1 60 LYS H 2.510 . 3.230 2.835 2.597 3.220 . 0 0 "[ . 1 . 2]" 1
234 1 46 VAL H 1 61 VAL MG2 3.600 . 5.400 4.076 3.172 4.763 . 0 0 "[ . 1 . 2]" 1
235 1 46 VAL H 1 80 VAL H 3.120 . 4.450 4.639 4.554 4.757 0.307 12 0 "[ . 1 . 2]" 1
236 1 46 VAL H 1 80 VAL MG2 3.920 . 6.050 3.950 3.571 4.501 . 0 0 "[ . 1 . 2]" 1
237 1 46 VAL HA 1 47 VAL H 2.210 . 2.620 2.245 2.224 2.262 . 0 0 "[ . 1 . 2]" 1
238 1 46 VAL HA 1 47 VAL MG2 3.870 . 5.940 3.385 3.337 3.440 . 0 0 "[ . 1 . 2]" 1
239 1 46 VAL HA 1 80 VAL H 2.690 . 3.590 3.214 3.131 3.385 . 0 0 "[ . 1 . 2]" 1
240 1 46 VAL HA 1 80 VAL MG2 3.990 . 6.190 3.503 3.227 3.831 . 0 0 "[ . 1 . 2]" 1
241 1 46 VAL HB 1 47 VAL H 2.930 . 4.060 4.069 4.041 4.095 0.035 8 0 "[ . 1 . 2]" 1
242 1 46 VAL HB 1 60 LYS H 3.390 . 4.990 4.994 4.849 5.038 0.048 8 0 "[ . 1 . 2]" 1
243 1 46 VAL QG 1 47 VAL H 2.830 . 3.860 2.278 2.238 2.309 . 0 0 "[ . 1 . 2]" 1
244 1 46 VAL QG 1 60 LYS H 4.320 . 6.840 2.607 2.404 2.818 . 0 0 "[ . 1 . 2]" 1
245 1 46 VAL QG 1 60 LYS QB 4.900 . 8.010 2.066 1.795 2.580 . 0 0 "[ . 1 . 2]" 1
246 1 46 VAL QG 1 60 LYS QD 5.590 . 9.380 3.393 2.641 4.312 . 0 0 "[ . 1 . 2]" 1
247 1 46 VAL QG 1 60 LYS QE 5.060 . 8.330 3.804 1.965 5.327 . 0 0 "[ . 1 . 2]" 1
248 1 46 VAL QG 1 77 GLY QA 3.840 . 5.880 2.920 2.597 3.292 . 0 0 "[ . 1 . 2]" 1
249 1 46 VAL QG 1 78 GLU HA 4.710 . 7.630 4.444 4.242 4.612 . 0 0 "[ . 1 . 2]" 1
250 1 46 VAL QG 1 79 GLU HA 4.320 . 6.840 3.449 3.307 3.666 . 0 0 "[ . 1 . 2]" 1
251 1 46 VAL QG 1 79 GLU QG 4.720 . 7.650 3.184 2.496 4.375 . 0 0 "[ . 1 . 2]" 1
252 1 46 VAL QG 1 80 VAL H 4.480 . 7.160 4.612 4.544 4.724 . 0 0 "[ . 1 . 2]" 1
253 1 46 VAL MG1 1 47 VAL H 3.000 . 4.210 3.764 3.706 3.806 . 0 0 "[ . 1 . 2]" 1
254 1 46 VAL MG1 1 77 GLY HA2 4.390 . 6.980 5.158 4.780 5.573 . 0 0 "[ . 1 . 2]" 1
255 1 46 VAL MG1 1 77 GLY HA3 4.390 . 6.980 6.621 6.257 7.003 0.023 2 0 "[ . 1 . 2]" 1
256 1 46 VAL MG2 1 47 VAL H 3.000 . 4.210 2.297 2.256 2.330 . 0 0 "[ . 1 . 2]" 1
257 1 46 VAL MG2 1 77 GLY HA2 4.390 . 6.980 2.992 2.646 3.394 . 0 0 "[ . 1 . 2]" 1
258 1 46 VAL MG2 1 77 GLY HA3 4.390 . 6.980 4.331 3.988 4.730 . 0 0 "[ . 1 . 2]" 1
259 1 47 VAL H 1 47 VAL HB 2.400 . 3.010 2.550 2.520 2.580 . 0 0 "[ . 1 . 2]" 1
260 1 47 VAL H 1 47 VAL MG1 3.310 . 4.820 3.799 3.789 3.807 . 0 0 "[ . 1 . 2]" 1
261 1 47 VAL H 1 47 VAL MG2 2.970 . 4.140 2.180 2.113 2.257 . 0 0 "[ . 1 . 2]" 1
262 1 47 VAL H 1 48 MET H 3.480 . 5.170 4.420 4.337 4.484 . 0 0 "[ . 1 . 2]" 1
263 1 47 VAL H 1 77 GLY H 2.930 . 4.060 3.578 3.301 4.032 . 0 0 "[ . 1 . 2]" 1
264 1 47 VAL H 1 78 GLU H 2.820 . 3.840 3.567 3.241 3.872 0.032 11 0 "[ . 1 . 2]" 1
265 1 47 VAL H 1 78 GLU HB2 3.860 . 5.930 3.943 3.658 4.339 . 0 0 "[ . 1 . 2]" 1
266 1 47 VAL H 1 80 VAL MG1 4.010 . 6.230 4.112 3.816 4.357 . 0 0 "[ . 1 . 2]" 1
267 1 47 VAL H 1 80 VAL MG2 3.870 . 5.940 4.072 3.788 4.454 . 0 0 "[ . 1 . 2]" 1
268 1 47 VAL HA 1 48 MET H 2.220 . 2.650 2.138 2.118 2.161 . 0 0 "[ . 1 . 2]" 1
269 1 47 VAL HA 1 49 GLU H 2.710 . 3.620 3.614 3.480 3.670 0.050 14 0 "[ . 1 . 2]" 1
270 1 47 VAL HA 1 59 VAL HA 2.480 . 3.160 2.609 2.420 3.015 . 0 0 "[ . 1 . 2]" 1
271 1 47 VAL HA 1 59 VAL QG 4.140 . 6.480 2.153 1.791 2.770 0.009 11 0 "[ . 1 . 2]" 1
272 1 47 VAL HA 1 60 LYS H 3.230 . 4.670 4.020 3.672 4.673 0.003 10 0 "[ . 1 . 2]" 1
273 1 47 VAL HB 1 76 VAL HA 2.600 . 3.410 2.798 2.465 3.198 . 0 0 "[ . 1 . 2]" 1
274 1 47 VAL HB 1 77 GLY H 2.440 . 3.080 2.659 2.492 2.883 . 0 0 "[ . 1 . 2]" 1
275 1 47 VAL HB 1 78 GLU H 2.310 . 2.830 2.473 2.273 2.791 . 0 0 "[ . 1 . 2]" 1
276 1 47 VAL MG1 1 48 MET H 3.180 . 4.570 2.989 2.844 3.154 . 0 0 "[ . 1 . 2]" 1
277 1 47 VAL MG1 1 49 GLU H 2.730 . 3.670 2.775 2.549 2.988 . 0 0 "[ . 1 . 2]" 1
278 1 47 VAL MG1 1 50 ALA H 3.790 . 5.790 4.094 3.871 4.282 . 0 0 "[ . 1 . 2]" 1
279 1 47 VAL MG1 1 50 ALA HA 3.180 . 4.570 2.829 2.582 3.142 . 0 0 "[ . 1 . 2]" 1
280 1 47 VAL MG1 1 50 ALA MB 4.920 . 8.040 4.035 3.798 4.306 . 0 0 "[ . 1 . 2]" 1
281 1 47 VAL MG1 1 51 ILE H 3.340 . 4.890 3.010 2.631 3.546 . 0 0 "[ . 1 . 2]" 1
282 1 47 VAL MG1 1 51 ILE QG 4.040 . 6.280 2.301 2.071 2.535 . 0 0 "[ . 1 . 2]" 1
283 1 47 VAL MG1 1 76 VAL H 3.580 . 5.360 4.090 3.631 4.432 . 0 0 "[ . 1 . 2]" 1
284 1 47 VAL MG1 1 76 VAL HA 3.070 . 4.350 2.465 2.109 2.614 . 0 0 "[ . 1 . 2]" 1
285 1 47 VAL MG1 1 77 GLY H 3.380 . 4.970 3.523 3.302 3.752 . 0 0 "[ . 1 . 2]" 1
286 1 47 VAL MG1 1 78 GLU H 3.610 . 5.430 3.854 3.590 4.088 . 0 0 "[ . 1 . 2]" 1
287 1 47 VAL MG1 1 80 VAL H 4.410 . 7.020 6.380 6.188 6.735 . 0 0 "[ . 1 . 2]" 1
288 1 47 VAL MG2 1 48 MET H 3.630 . 5.470 4.180 4.142 4.220 . 0 0 "[ . 1 . 2]" 1
289 1 47 VAL MG2 1 74 LEU HB2 3.420 . 5.040 3.216 2.934 3.625 . 0 0 "[ . 1 . 2]" 1
290 1 47 VAL MG2 1 74 LEU HB3 3.450 . 5.110 2.330 2.001 2.770 . 0 0 "[ . 1 . 2]" 1
291 1 47 VAL MG2 1 74 LEU MD1 3.910 . 6.020 2.814 2.615 3.160 . 0 0 "[ . 1 . 2]" 1
292 1 47 VAL MG2 1 75 ASP H 3.670 . 5.540 4.259 3.981 4.700 . 0 0 "[ . 1 . 2]" 1
293 1 47 VAL MG2 1 78 GLU H 3.090 . 4.390 3.406 3.220 3.598 . 0 0 "[ . 1 . 2]" 1
294 1 47 VAL MG2 1 78 GLU HB2 3.450 . 5.110 2.321 2.027 2.742 . 0 0 "[ . 1 . 2]" 1
295 1 47 VAL MG2 1 78 GLU HB3 3.470 . 5.150 3.105 2.771 3.438 . 0 0 "[ . 1 . 2]" 1
296 1 47 VAL MG2 1 78 GLU HG2 4.410 . 7.020 4.310 3.983 4.761 . 0 0 "[ . 1 . 2]" 1
297 1 47 VAL MG2 1 80 VAL H 4.230 . 6.660 3.771 3.589 4.155 . 0 0 "[ . 1 . 2]" 1
298 1 47 VAL MG2 1 80 VAL MG1 3.870 . 5.950 2.087 1.929 2.346 . 0 0 "[ . 1 . 2]" 1
299 1 47 VAL MG2 1 80 VAL MG2 4.250 . 6.710 2.760 2.429 3.096 . 0 0 "[ . 1 . 2]" 1
300 1 48 MET H 1 48 MET HB2 2.440 . 3.080 2.452 2.399 2.508 . 0 0 "[ . 1 . 2]" 1
301 1 48 MET H 1 48 MET HB3 2.710 . 3.620 3.656 3.627 3.683 0.063 2 0 "[ . 1 . 2]" 1
302 1 48 MET H 1 48 MET ME 4.170 . 6.550 4.384 3.479 4.926 . 0 0 "[ . 1 . 2]" 1
303 1 48 MET H 1 48 MET HG2 2.800 . 3.800 2.928 2.402 3.829 0.029 6 0 "[ . 1 . 2]" 1
304 1 48 MET H 1 48 MET QG 2.680 . 3.570 2.567 2.378 2.782 . 0 0 "[ . 1 . 2]" 1
305 1 48 MET H 1 48 MET HG3 2.800 . 3.800 3.457 2.530 3.938 0.138 18 0 "[ . 1 . 2]" 1
306 1 48 MET H 1 49 GLU H 2.260 . 2.720 2.155 2.052 2.310 . 0 0 "[ . 1 . 2]" 1
307 1 48 MET H 1 58 LEU H 3.250 . 4.700 4.167 3.923 4.410 . 0 0 "[ . 1 . 2]" 1
308 1 48 MET H 1 58 LEU HB2 3.630 . 5.460 4.036 3.787 4.261 . 0 0 "[ . 1 . 2]" 1
309 1 48 MET H 1 59 VAL HA 2.510 . 3.230 2.460 2.175 2.873 . 0 0 "[ . 1 . 2]" 1
310 1 48 MET H 1 59 VAL QG 4.170 . 6.550 3.381 3.108 3.863 . 0 0 "[ . 1 . 2]" 1
311 1 48 MET HA 1 48 MET ME 3.790 . 5.790 2.741 1.541 4.031 0.249 7 0 "[ . 1 . 2]" 1
312 1 48 MET HA 1 76 VAL MG1 3.450 . 5.110 2.538 2.144 2.982 . 0 0 "[ . 1 . 2]" 1
313 1 48 MET HA 1 77 GLY H 3.340 . 4.880 3.911 3.642 4.275 . 0 0 "[ . 1 . 2]" 1
314 1 48 MET HB2 1 48 MET ME 3.450 . 5.110 3.485 2.963 4.293 . 0 0 "[ . 1 . 2]" 1
315 1 48 MET HB2 1 48 MET HG2 2.310 . 2.830 2.669 2.442 3.025 0.195 12 0 "[ . 1 . 2]" 1
316 1 48 MET HB2 1 48 MET HG3 2.310 . 2.830 2.380 2.284 2.444 . 0 0 "[ . 1 . 2]" 1
317 1 48 MET HB2 1 49 GLU H 2.780 . 3.770 2.777 2.647 3.020 . 0 0 "[ . 1 . 2]" 1
318 1 48 MET HB3 1 48 MET ME 3.430 . 5.070 2.458 1.920 3.991 . 0 0 "[ . 1 . 2]" 1
319 1 48 MET HB3 1 49 GLU H 2.870 . 3.950 3.810 3.636 3.981 0.031 15 0 "[ . 1 . 2]" 1
320 1 48 MET HB3 1 58 LEU HB2 3.320 . 4.850 4.218 3.872 4.430 . 0 0 "[ . 1 . 2]" 1
321 1 48 MET HB3 1 58 LEU HB3 3.340 . 4.880 4.684 4.198 4.930 0.050 19 0 "[ . 1 . 2]" 1
322 1 48 MET HB3 1 58 LEU MD2 4.170 . 6.550 6.093 4.709 6.458 . 0 0 "[ . 1 . 2]" 1
323 1 48 MET QG 1 60 LYS H 3.090 . 4.380 2.879 2.500 3.425 . 0 0 "[ . 1 . 2]" 1
324 1 48 MET QG 1 60 LYS QB 4.490 . 7.180 2.262 1.749 2.928 0.051 5 0 "[ . 1 . 2]" 1
325 1 48 MET QG 1 65 THR MG 4.520 . 7.250 3.595 2.343 5.524 . 0 0 "[ . 1 . 2]" 1
326 1 48 MET HG2 1 60 LYS H 3.380 . 4.960 3.443 2.548 4.982 0.022 10 0 "[ . 1 . 2]" 1
327 1 48 MET HG3 1 60 LYS H 3.380 . 4.960 3.573 2.545 4.269 . 0 0 "[ . 1 . 2]" 1
328 1 49 GLU H 1 49 GLU HB2 2.750 . 3.700 3.126 3.012 3.275 . 0 0 "[ . 1 . 2]" 1
329 1 49 GLU H 1 49 GLU QB 2.670 . 3.540 2.547 2.445 2.682 . 0 0 "[ . 1 . 2]" 1
330 1 49 GLU H 1 49 GLU HB3 2.750 . 3.700 2.700 2.567 2.848 . 0 0 "[ . 1 . 2]" 1
331 1 49 GLU H 1 49 GLU HG2 3.650 . 5.500 4.843 4.467 5.076 . 0 0 "[ . 1 . 2]" 1
332 1 49 GLU H 1 49 GLU QG 3.410 . 5.030 4.147 4.065 4.252 . 0 0 "[ . 1 . 2]" 1
333 1 49 GLU H 1 49 GLU HG3 3.650 . 5.500 4.529 4.363 4.799 . 0 0 "[ . 1 . 2]" 1
334 1 49 GLU H 1 50 ALA H 3.230 . 4.670 4.425 4.375 4.458 . 0 0 "[ . 1 . 2]" 1
335 1 49 GLU H 1 51 ILE MD 3.890 . 5.980 4.813 4.320 5.328 . 0 0 "[ . 1 . 2]" 1
336 1 49 GLU H 1 58 LEU H 2.490 . 3.190 2.637 2.459 2.853 . 0 0 "[ . 1 . 2]" 1
337 1 49 GLU H 1 58 LEU HB2 2.350 . 2.900 2.833 2.708 2.932 0.032 6 0 "[ . 1 . 2]" 1
338 1 49 GLU H 1 58 LEU HB3 2.940 . 4.090 4.095 3.957 4.153 0.063 15 0 "[ . 1 . 2]" 1
339 1 49 GLU H 1 59 VAL HA 3.110 . 4.420 4.072 3.836 4.394 . 0 0 "[ . 1 . 2]" 1
340 1 49 GLU H 1 76 VAL MG1 3.990 . 6.190 4.373 4.082 4.675 . 0 0 "[ . 1 . 2]" 1
341 1 49 GLU H 1 76 VAL MG2 3.880 . 5.970 3.998 3.504 4.427 . 0 0 "[ . 1 . 2]" 1
342 1 49 GLU HA 1 49 GLU HG2 2.910 . 4.020 3.621 2.916 3.840 . 0 0 "[ . 1 . 2]" 1
343 1 49 GLU HA 1 49 GLU QG 2.830 . 3.870 2.867 2.360 3.056 . 0 0 "[ . 1 . 2]" 1
344 1 49 GLU HA 1 49 GLU HG3 2.910 . 4.020 3.008 2.426 3.216 . 0 0 "[ . 1 . 2]" 1
345 1 49 GLU HA 1 50 ALA H 2.170 . 2.540 2.217 2.179 2.282 . 0 0 "[ . 1 . 2]" 1
346 1 49 GLU HA 1 50 ALA MB 3.970 . 6.150 4.016 3.977 4.058 . 0 0 "[ . 1 . 2]" 1
347 1 49 GLU HA 1 76 VAL MG2 2.970 . 4.140 2.587 2.114 3.052 . 0 0 "[ . 1 . 2]" 1
348 1 49 GLU QB 1 50 ALA H 2.850 . 3.910 3.601 3.460 3.694 . 0 0 "[ . 1 . 2]" 1
349 1 49 GLU QB 1 57 GLY QA 4.080 . 6.360 2.930 2.651 3.185 . 0 0 "[ . 1 . 2]" 1
350 1 49 GLU QB 1 58 LEU H 2.520 . 3.250 1.763 1.715 1.874 0.075 3 0 "[ . 1 . 2]" 1
351 1 49 GLU QB 1 58 LEU HB2 2.710 . 3.630 1.967 1.782 2.338 0.008 11 0 "[ . 1 . 2]" 1
352 1 49 GLU QB 1 58 LEU HB3 3.240 . 4.680 3.480 3.321 3.825 . 0 0 "[ . 1 . 2]" 1
353 1 49 GLU QB 1 58 LEU MD1 3.390 . 4.990 2.430 2.093 2.869 . 0 0 "[ . 1 . 2]" 1
354 1 49 GLU HB2 1 50 ALA H 2.960 . 4.130 4.107 3.979 4.209 0.079 5 0 "[ . 1 . 2]" 1
355 1 49 GLU HB2 1 58 LEU H 2.620 . 3.440 3.434 3.377 3.471 0.031 11 0 "[ . 1 . 2]" 1
356 1 49 GLU HB2 1 58 LEU HB2 3.110 . 4.420 2.415 2.211 2.766 . 0 0 "[ . 1 . 2]" 1
357 1 49 GLU HB2 1 58 LEU HB3 3.380 . 4.960 4.085 3.853 4.436 . 0 0 "[ . 1 . 2]" 1
358 1 49 GLU HB2 1 58 LEU MD1 3.600 . 5.400 2.578 2.275 3.043 . 0 0 "[ . 1 . 2]" 1
359 1 49 GLU HB3 1 50 ALA H 2.960 . 4.130 3.985 3.803 4.124 . 0 0 "[ . 1 . 2]" 1
360 1 49 GLU HB3 1 58 LEU H 2.620 . 3.440 1.769 1.719 1.882 0.081 3 0 "[ . 1 . 2]" 1
361 1 49 GLU HB3 1 58 LEU HB2 3.110 . 4.420 2.091 1.833 2.521 . 0 0 "[ . 1 . 2]" 1
362 1 49 GLU HB3 1 58 LEU HB3 3.380 . 4.960 3.776 3.520 4.178 . 0 0 "[ . 1 . 2]" 1
363 1 49 GLU HB3 1 58 LEU MD1 3.600 . 5.400 3.054 2.226 3.511 . 0 0 "[ . 1 . 2]" 1
364 1 49 GLU QG 1 58 LEU MD1 3.920 . 6.040 3.196 2.229 4.296 . 0 0 "[ . 1 . 2]" 1
365 1 49 GLU HG2 1 50 ALA H 3.110 . 4.420 3.848 2.539 4.336 . 0 0 "[ . 1 . 2]" 1
366 1 49 GLU HG2 1 58 LEU MD1 4.190 . 6.590 3.374 2.265 5.088 . 0 0 "[ . 1 . 2]" 1
367 1 49 GLU HG3 1 50 ALA H 3.110 . 4.420 2.736 2.488 3.134 . 0 0 "[ . 1 . 2]" 1
368 1 49 GLU HG3 1 58 LEU MD1 4.190 . 6.590 4.306 3.322 4.670 . 0 0 "[ . 1 . 2]" 1
369 1 50 ALA H 1 50 ALA MB 2.610 . 3.420 2.218 2.206 2.227 . 0 0 "[ . 1 . 2]" 1
370 1 50 ALA H 1 76 VAL MG2 2.880 . 3.960 2.728 2.376 3.240 . 0 0 "[ . 1 . 2]" 1
371 1 50 ALA HA 1 51 ILE H 2.220 . 2.650 2.129 2.093 2.170 . 0 0 "[ . 1 . 2]" 1
372 1 50 ALA HA 1 51 ILE MD 4.410 . 7.020 4.917 4.738 5.044 . 0 0 "[ . 1 . 2]" 1
373 1 50 ALA HA 1 51 ILE QG 3.650 . 5.510 3.546 3.382 3.695 . 0 0 "[ . 1 . 2]" 1
374 1 50 ALA HA 1 75 ASP HA 2.800 . 3.800 3.110 2.286 3.860 0.060 10 0 "[ . 1 . 2]" 1
375 1 50 ALA HA 1 76 VAL H 3.000 . 4.200 4.129 3.768 4.243 0.043 13 0 "[ . 1 . 2]" 1
376 1 50 ALA HA 1 76 VAL MG2 4.050 . 6.300 3.175 2.866 3.571 . 0 0 "[ . 1 . 2]" 1
377 1 50 ALA MB 1 51 ILE H 2.910 . 4.030 3.074 2.896 3.294 . 0 0 "[ . 1 . 2]" 1
378 1 50 ALA MB 1 75 ASP HA 3.400 . 5.000 3.115 2.678 3.657 . 0 0 "[ . 1 . 2]" 1
379 1 50 ALA MB 1 76 VAL H 3.240 . 4.680 3.783 3.215 4.257 . 0 0 "[ . 1 . 2]" 1
380 1 50 ALA MB 1 76 VAL MG2 4.320 . 6.850 2.676 2.118 3.457 . 0 0 "[ . 1 . 2]" 1
381 1 51 ILE H 1 51 ILE HB 2.460 . 3.120 2.541 2.469 2.635 . 0 0 "[ . 1 . 2]" 1
382 1 51 ILE H 1 51 ILE MD 3.200 . 4.610 3.741 3.543 3.929 . 0 0 "[ . 1 . 2]" 1
383 1 51 ILE H 1 51 ILE HG12 3.500 . 5.210 3.755 3.539 3.967 . 0 0 "[ . 1 . 2]" 1
384 1 51 ILE H 1 51 ILE QG 3.080 . 4.360 2.453 2.186 2.636 . 0 0 "[ . 1 . 2]" 1
385 1 51 ILE H 1 51 ILE HG13 3.500 . 5.210 2.487 2.207 2.682 . 0 0 "[ . 1 . 2]" 1
386 1 51 ILE H 1 51 ILE MG 3.330 . 4.860 3.816 3.778 3.862 . 0 0 "[ . 1 . 2]" 1
387 1 51 ILE H 1 74 LEU H 2.780 . 3.770 3.196 2.938 3.617 . 0 0 "[ . 1 . 2]" 1
388 1 51 ILE H 1 74 LEU HB2 3.450 . 5.100 2.881 2.459 3.267 . 0 0 "[ . 1 . 2]" 1
389 1 51 ILE H 1 74 LEU HB3 3.900 . 6.000 4.196 3.909 4.486 . 0 0 "[ . 1 . 2]" 1
390 1 51 ILE HA 1 51 ILE HG12 2.780 . 3.770 2.593 2.533 2.675 . 0 0 "[ . 1 . 2]" 1
391 1 51 ILE HA 1 51 ILE HG13 2.780 . 3.770 3.016 2.920 3.100 . 0 0 "[ . 1 . 2]" 1
392 1 51 ILE HA 1 52 SER H 2.280 . 2.760 2.177 2.131 2.244 . 0 0 "[ . 1 . 2]" 1
393 1 51 ILE HA 1 57 GLY H 2.910 . 4.020 3.077 2.592 3.780 . 0 0 "[ . 1 . 2]" 1
394 1 51 ILE HB 1 52 SER H 3.210 . 4.630 4.236 4.009 4.412 . 0 0 "[ . 1 . 2]" 1
395 1 51 ILE HB 1 74 LEU H 2.910 . 4.020 2.751 2.358 3.276 . 0 0 "[ . 1 . 2]" 1
396 1 51 ILE HB 1 74 LEU HB3 2.760 . 3.730 3.603 3.448 3.781 0.051 17 0 "[ . 1 . 2]" 1
397 1 51 ILE MD 1 52 SER H 4.010 . 6.230 5.214 4.995 5.468 . 0 0 "[ . 1 . 2]" 1
398 1 51 ILE MD 1 57 GLY H 3.040 . 4.280 3.629 3.219 3.997 . 0 0 "[ . 1 . 2]" 1
399 1 51 ILE MD 1 57 GLY HA2 3.870 . 5.940 4.865 4.683 4.998 . 0 0 "[ . 1 . 2]" 1
400 1 51 ILE MD 1 57 GLY QA 3.650 . 5.500 3.393 3.242 3.486 . 0 0 "[ . 1 . 2]" 1
401 1 51 ILE MD 1 57 GLY HA3 3.870 . 5.940 3.463 3.305 3.557 . 0 0 "[ . 1 . 2]" 1
402 1 51 ILE MD 1 58 LEU H 3.270 . 4.750 4.082 3.660 4.718 . 0 0 "[ . 1 . 2]" 1
403 1 51 ILE MD 1 68 ALA H 3.780 . 5.760 4.194 3.868 4.519 . 0 0 "[ . 1 . 2]" 1
404 1 51 ILE MD 1 68 ALA HA 3.980 . 6.160 4.381 4.141 4.550 . 0 0 "[ . 1 . 2]" 1
405 1 51 ILE MD 1 68 ALA MB 4.050 . 6.310 2.049 1.882 2.235 . 0 0 "[ . 1 . 2]" 1
406 1 51 ILE MD 1 70 SER H 3.600 . 5.400 4.808 4.142 5.399 . 0 0 "[ . 1 . 2]" 1
407 1 51 ILE MD 1 70 SER QB 4.200 . 6.600 3.583 2.881 3.971 . 0 0 "[ . 1 . 2]" 1
408 1 51 ILE MD 1 74 LEU H 3.990 . 6.190 4.498 4.142 4.968 . 0 0 "[ . 1 . 2]" 1
409 1 51 ILE MD 1 74 LEU HB2 3.780 . 5.760 2.529 2.223 2.937 . 0 0 "[ . 1 . 2]" 1
410 1 51 ILE QG 1 57 GLY H 2.740 . 3.680 2.400 2.135 2.555 . 0 0 "[ . 1 . 2]" 1
411 1 51 ILE QG 1 57 GLY QA 2.890 . 3.990 1.773 1.724 1.904 0.066 17 0 "[ . 1 . 2]" 1
412 1 51 ILE QG 1 58 LEU H 3.160 . 4.530 3.243 3.021 3.725 . 0 0 "[ . 1 . 2]" 1
413 1 51 ILE HG12 1 57 GLY H 2.960 . 4.130 2.417 2.145 2.580 . 0 0 "[ . 1 . 2]" 1
414 1 51 ILE HG12 1 57 GLY HA2 3.250 . 4.700 3.499 3.406 3.689 . 0 0 "[ . 1 . 2]" 1
415 1 51 ILE HG12 1 57 GLY HA3 3.250 . 4.700 1.813 1.758 1.970 0.042 17 0 "[ . 1 . 2]" 1
416 1 51 ILE HG12 1 58 LEU H 3.430 . 5.060 3.573 3.300 4.080 . 0 0 "[ . 1 . 2]" 1
417 1 51 ILE HG13 1 57 GLY H 2.960 . 4.130 4.103 3.869 4.186 0.056 13 0 "[ . 1 . 2]" 1
418 1 51 ILE HG13 1 57 GLY HA2 3.250 . 4.700 4.315 4.108 4.527 . 0 0 "[ . 1 . 2]" 1
419 1 51 ILE HG13 1 57 GLY HA3 3.250 . 4.700 2.601 2.448 2.784 . 0 0 "[ . 1 . 2]" 1
420 1 51 ILE HG13 1 58 LEU H 3.430 . 5.060 3.724 3.464 4.302 . 0 0 "[ . 1 . 2]" 1
421 1 51 ILE MG 1 52 SER H 2.860 . 3.920 2.757 2.360 3.180 . 0 0 "[ . 1 . 2]" 1
422 1 51 ILE MG 1 52 SER HA 4.210 . 6.620 3.548 3.365 3.928 . 0 0 "[ . 1 . 2]" 1
423 1 51 ILE MG 1 57 GLY H 3.200 . 4.610 2.379 2.136 2.837 . 0 0 "[ . 1 . 2]" 1
424 1 51 ILE MG 1 69 THR H 4.410 . 7.020 4.170 3.795 4.608 . 0 0 "[ . 1 . 2]" 1
425 1 51 ILE MG 1 69 THR HA 2.980 . 4.170 2.553 2.151 2.989 . 0 0 "[ . 1 . 2]" 1
426 1 51 ILE MG 1 70 SER H 2.950 . 4.100 2.822 2.459 3.093 . 0 0 "[ . 1 . 2]" 1
427 1 51 ILE MG 1 70 SER HB2 3.250 . 4.710 2.980 1.991 4.581 . 0 0 "[ . 1 . 2]" 1
428 1 51 ILE MG 1 70 SER QB 3.170 . 4.540 2.584 1.980 3.642 . 0 0 "[ . 1 . 2]" 1
429 1 51 ILE MG 1 70 SER HB3 3.250 . 4.710 3.062 2.144 3.823 . 0 0 "[ . 1 . 2]" 1
430 1 51 ILE MG 1 72 THR H 4.190 . 6.590 4.679 4.171 5.240 . 0 0 "[ . 1 . 2]" 1
431 1 51 ILE MG 1 74 LEU MD1 4.540 . 7.280 2.670 2.403 2.987 . 0 0 "[ . 1 . 2]" 1
432 1 52 SER H 1 52 SER HB2 2.850 . 3.910 3.692 2.983 3.842 . 0 0 "[ . 1 . 2]" 1
433 1 52 SER H 1 52 SER HB3 2.820 . 3.840 3.361 3.077 3.837 . 0 0 "[ . 1 . 2]" 1
434 1 52 SER H 1 55 ASN H 2.760 . 3.730 3.696 3.550 3.824 0.094 9 0 "[ . 1 . 2]" 1
435 1 52 SER HA 1 52 SER HB3 2.390 . 2.980 2.375 2.286 2.422 . 0 0 "[ . 1 . 2]" 1
436 1 52 SER HA 1 53 PRO HD2 2.490 . 3.190 2.874 2.744 3.152 . 0 0 "[ . 1 . 2]" 1
437 1 52 SER HA 1 53 PRO HD3 2.220 . 2.650 2.047 1.916 2.248 . 0 0 "[ . 1 . 2]" 1
438 1 52 SER HA 1 73 VAL HA 2.550 . 3.300 2.658 2.157 3.269 . 0 0 "[ . 1 . 2]" 1
439 1 52 SER HA 1 73 VAL MG1 3.700 . 5.610 4.112 3.001 5.424 . 0 0 "[ . 1 . 2]" 1
440 1 52 SER HA 1 73 VAL QG 3.460 . 5.120 2.843 2.073 3.781 . 0 0 "[ . 1 . 2]" 1
441 1 52 SER HA 1 73 VAL MG2 3.700 . 5.610 2.982 2.076 3.887 . 0 0 "[ . 1 . 2]" 1
442 1 52 SER HA 1 74 LEU H 3.070 . 4.340 3.734 3.304 4.220 . 0 0 "[ . 1 . 2]" 1
443 1 52 SER HB2 1 53 PRO HD2 2.280 . 2.760 2.128 1.774 2.938 0.178 15 0 "[ . 1 . 2]" 1
444 1 52 SER HB2 1 53 PRO HD3 2.640 . 3.480 3.107 2.882 3.609 0.129 15 0 "[ . 1 . 2]" 1
445 1 52 SER HB2 1 55 ASN H 3.050 . 4.310 3.101 2.311 3.364 . 0 0 "[ . 1 . 2]" 1
446 1 52 SER HB2 1 73 VAL QG 4.070 . 6.340 3.808 3.066 4.475 . 0 0 "[ . 1 . 2]" 1
447 1 52 SER HB3 1 53 PRO HD2 2.550 . 3.300 3.271 2.250 3.445 0.145 7 0 "[ . 1 . 2]" 1
448 1 52 SER HB3 1 53 PRO HD3 2.760 . 3.730 3.627 2.524 3.889 0.159 1 0 "[ . 1 . 2]" 1
449 1 52 SER HB3 1 55 ASN H 3.180 . 4.560 4.080 3.862 4.399 . 0 0 "[ . 1 . 2]" 1
450 1 52 SER HB3 1 73 VAL MG1 3.790 . 5.790 4.482 2.528 5.815 0.025 6 0 "[ . 1 . 2]" 1
451 1 52 SER HB3 1 73 VAL QG 3.470 . 5.150 3.018 2.443 4.110 . 0 0 "[ . 1 . 2]" 1
452 1 52 SER HB3 1 73 VAL MG2 3.790 . 5.790 3.326 2.554 5.309 . 0 0 "[ . 1 . 2]" 1
453 1 53 PRO HB2 1 54 GLN H 2.980 . 4.160 3.247 2.574 4.022 . 0 0 "[ . 1 . 2]" 1
454 1 53 PRO HB3 1 71 GLY QA 3.740 . 5.690 3.650 2.593 5.394 . 0 0 "[ . 1 . 2]" 1
455 1 53 PRO HD2 1 54 GLN H 3.270 . 4.740 2.684 2.390 3.136 . 0 0 "[ . 1 . 2]" 1
456 1 53 PRO HD2 1 73 VAL QG 4.340 . 6.880 3.581 2.641 4.488 . 0 0 "[ . 1 . 2]" 1
457 1 53 PRO HD3 1 73 VAL HA 3.270 . 4.740 3.101 2.518 3.576 . 0 0 "[ . 1 . 2]" 1
458 1 53 PRO HD3 1 73 VAL QG 4.280 . 6.770 2.965 2.069 4.100 . 0 0 "[ . 1 . 2]" 1
459 1 54 GLN H 1 54 GLN HB2 2.890 . 3.980 2.544 2.262 3.166 . 0 0 "[ . 1 . 2]" 1
460 1 54 GLN H 1 54 GLN QB 2.700 . 3.610 2.387 2.222 2.536 . 0 0 "[ . 1 . 2]" 1
461 1 54 GLN H 1 54 GLN HB3 2.890 . 3.980 3.271 2.435 3.730 . 0 0 "[ . 1 . 2]" 1
462 1 54 GLN H 1 54 GLN HG2 3.900 . 6.000 3.995 3.264 4.508 . 0 0 "[ . 1 . 2]" 1
463 1 54 GLN H 1 54 GLN QG 3.690 . 5.580 3.135 2.313 4.075 . 0 0 "[ . 1 . 2]" 1
464 1 54 GLN H 1 54 GLN HG3 3.900 . 6.000 3.387 2.345 4.737 . 0 0 "[ . 1 . 2]" 1
465 1 54 GLN HA 1 54 GLN HG2 2.690 . 3.590 2.849 2.333 3.658 0.068 2 0 "[ . 1 . 2]" 1
466 1 54 GLN HA 1 54 GLN HG3 2.690 . 3.590 2.877 2.410 3.613 0.023 5 0 "[ . 1 . 2]" 1
467 1 54 GLN QB 1 55 ASN H 2.930 . 4.070 2.423 2.137 2.896 . 0 0 "[ . 1 . 2]" 1
468 1 54 GLN HB2 1 55 ASN H 3.070 . 4.340 2.927 2.163 3.967 . 0 0 "[ . 1 . 2]" 1
469 1 54 GLN HB3 1 55 ASN H 3.070 . 4.340 3.148 2.227 3.993 . 0 0 "[ . 1 . 2]" 1
470 1 55 ASN H 1 55 ASN HB2 2.780 . 3.770 3.049 2.726 3.425 . 0 0 "[ . 1 . 2]" 1
471 1 55 ASN H 1 55 ASN QB 2.660 . 3.520 2.541 2.327 2.902 . 0 0 "[ . 1 . 2]" 1
472 1 55 ASN H 1 55 ASN HB3 2.780 . 3.770 2.736 2.430 3.268 . 0 0 "[ . 1 . 2]" 1
473 1 55 ASN HA 1 56 SER H 2.550 . 3.300 2.206 2.124 2.774 . 0 0 "[ . 1 . 2]" 1
474 1 56 SER HA 1 57 GLY H 2.300 . 2.800 2.325 2.244 2.555 . 0 0 "[ . 1 . 2]" 1
475 1 56 SER HB2 1 57 GLY H 2.660 . 3.520 3.621 3.375 3.731 0.211 17 0 "[ . 1 . 2]" 1
476 1 56 SER HB2 1 68 ALA H 3.860 . 5.930 4.084 3.780 4.799 . 0 0 "[ . 1 . 2]" 1
477 1 56 SER HB2 1 69 THR MG 3.630 . 5.470 4.069 3.596 5.253 . 0 0 "[ . 1 . 2]" 1
478 1 56 SER HB3 1 57 GLY H 2.510 . 3.230 2.706 2.220 2.957 . 0 0 "[ . 1 . 2]" 1
479 1 56 SER HB3 1 68 ALA H 3.630 . 5.460 3.054 2.615 3.552 . 0 0 "[ . 1 . 2]" 1
480 1 56 SER HB3 1 69 THR MG 3.920 . 6.050 3.033 2.482 4.014 . 0 0 "[ . 1 . 2]" 1
481 1 57 GLY H 1 68 ALA H 2.690 . 3.590 2.989 2.690 3.239 . 0 0 "[ . 1 . 2]" 1
482 1 57 GLY H 1 68 ALA MB 3.900 . 6.010 3.491 3.203 3.727 . 0 0 "[ . 1 . 2]" 1
483 1 57 GLY QA 1 58 LEU H 2.470 . 3.150 2.268 2.212 2.322 . 0 0 "[ . 1 . 2]" 1
484 1 58 LEU H 1 58 LEU HB2 2.530 . 3.260 2.575 2.474 2.654 . 0 0 "[ . 1 . 2]" 1
485 1 58 LEU H 1 58 LEU HB3 2.850 . 3.910 3.755 3.693 3.805 . 0 0 "[ . 1 . 2]" 1
486 1 58 LEU H 1 58 LEU MD1 3.200 . 4.610 3.972 2.743 4.204 . 0 0 "[ . 1 . 2]" 1
487 1 58 LEU H 1 58 LEU MD2 4.410 . 7.020 3.928 3.733 4.542 . 0 0 "[ . 1 . 2]" 1
488 1 58 LEU H 1 59 VAL H 3.270 . 4.740 4.355 4.260 4.456 . 0 0 "[ . 1 . 2]" 1
489 1 58 LEU HA 1 58 LEU MD1 3.560 . 5.330 3.771 3.043 3.882 . 0 0 "[ . 1 . 2]" 1
490 1 58 LEU HA 1 58 LEU MD2 3.020 . 4.250 2.128 1.922 3.622 . 0 0 "[ . 1 . 2]" 1
491 1 58 LEU HA 1 58 LEU HG 2.780 . 3.770 2.997 2.343 3.133 . 0 0 "[ . 1 . 2]" 1
492 1 58 LEU HA 1 59 VAL H 2.260 . 2.720 2.146 2.113 2.183 . 0 0 "[ . 1 . 2]" 1
493 1 58 LEU HA 1 67 ARG HA 2.530 . 3.260 2.568 2.219 2.896 . 0 0 "[ . 1 . 2]" 1
494 1 58 LEU HA 1 68 ALA H 2.730 . 3.660 3.424 2.974 3.704 0.044 2 0 "[ . 1 . 2]" 1
495 1 58 LEU HA 1 68 ALA MB 4.100 . 6.410 3.828 3.450 4.095 . 0 0 "[ . 1 . 2]" 1
496 1 58 LEU HB2 1 58 LEU HG 2.310 . 2.830 2.507 2.414 3.001 0.171 13 0 "[ . 1 . 2]" 1
497 1 58 LEU HB2 1 59 VAL H 3.120 . 4.450 4.251 4.120 4.360 . 0 0 "[ . 1 . 2]" 1
498 1 58 LEU HB3 1 58 LEU HG 2.330 . 2.870 2.982 2.589 3.029 0.159 16 0 "[ . 1 . 2]" 1
499 1 58 LEU HB3 1 59 VAL H 2.850 . 3.910 3.272 3.040 3.480 . 0 0 "[ . 1 . 2]" 1
500 1 58 LEU MD1 1 59 VAL H 4.410 . 7.020 5.000 4.772 5.151 . 0 0 "[ . 1 . 2]" 1
501 1 58 LEU MD1 1 65 THR HB 4.080 . 6.370 4.611 3.603 6.412 0.042 6 0 "[ . 1 . 2]" 1
502 1 58 LEU MD1 1 67 ARG HA 4.410 . 7.020 4.847 3.746 5.356 . 0 0 "[ . 1 . 2]" 1
503 1 58 LEU MD2 1 59 VAL H 3.490 . 5.180 3.573 3.374 4.553 . 0 0 "[ . 1 . 2]" 1
504 1 58 LEU MD2 1 65 THR HB 3.870 . 5.940 4.250 3.573 5.442 . 0 0 "[ . 1 . 2]" 1
505 1 58 LEU MD2 1 67 ARG H 3.880 . 5.970 3.980 3.460 5.383 . 0 0 "[ . 1 . 2]" 1
506 1 58 LEU MD2 1 67 ARG HA 3.040 . 4.280 2.342 1.754 4.321 0.046 5 0 "[ . 1 . 2]" 1
507 1 58 LEU MD2 1 67 ARG HD2 4.260 . 6.730 3.235 1.993 5.167 . 0 0 "[ . 1 . 2]" 1
508 1 58 LEU MD2 1 67 ARG QD 4.070 . 6.340 3.081 1.981 4.449 . 0 0 "[ . 1 . 2]" 1
509 1 58 LEU MD2 1 67 ARG HD3 4.260 . 6.730 4.250 3.419 5.366 . 0 0 "[ . 1 . 2]" 1
510 1 58 LEU MD2 1 67 ARG HG2 3.850 . 5.900 3.661 2.215 5.303 . 0 0 "[ . 1 . 2]" 1
511 1 58 LEU MD2 1 67 ARG QG 3.680 . 5.570 2.397 1.993 3.869 . 0 0 "[ . 1 . 2]" 1
512 1 58 LEU MD2 1 67 ARG HG3 3.850 . 5.900 2.544 2.006 4.813 . 0 0 "[ . 1 . 2]" 1
513 1 58 LEU MD2 1 68 ALA H 3.970 . 6.150 3.905 3.237 5.821 . 0 0 "[ . 1 . 2]" 1
514 1 58 LEU HG 1 59 VAL H 3.590 . 5.390 4.979 4.017 5.151 . 0 0 "[ . 1 . 2]" 1
515 1 58 LEU HG 1 67 ARG QD 4.300 . 6.810 5.354 3.500 6.466 . 0 0 "[ . 1 . 2]" 1
516 1 59 VAL H 1 59 VAL HB 2.870 . 3.950 3.683 2.667 3.838 . 0 0 "[ . 1 . 2]" 1
517 1 59 VAL H 1 59 VAL QG 3.010 . 4.230 2.087 1.920 2.443 . 0 0 "[ . 1 . 2]" 1
518 1 59 VAL H 1 60 LYS H 3.210 . 4.630 4.485 4.458 4.524 . 0 0 "[ . 1 . 2]" 1
519 1 59 VAL H 1 65 THR MG 4.030 . 6.260 3.781 3.106 5.358 . 0 0 "[ . 1 . 2]" 1
520 1 59 VAL H 1 66 TRP H 2.620 . 3.440 3.094 2.833 3.380 . 0 0 "[ . 1 . 2]" 1
521 1 59 VAL H 1 67 ARG HA 3.090 . 4.380 3.603 3.238 3.819 . 0 0 "[ . 1 . 2]" 1
522 1 59 VAL H 1 68 ALA MB 3.510 . 5.220 3.400 3.064 3.655 . 0 0 "[ . 1 . 2]" 1
523 1 59 VAL HA 1 60 LYS H 2.300 . 2.800 2.273 2.174 2.406 . 0 0 "[ . 1 . 2]" 1
524 1 59 VAL HB 1 60 LYS H 2.550 . 3.300 2.876 2.436 3.591 0.291 10 0 "[ . 1 . 2]" 1
525 1 59 VAL HB 1 61 VAL MG2 3.510 . 5.220 3.323 2.696 3.714 . 0 0 "[ . 1 . 2]" 1
526 1 59 VAL HB 1 68 ALA MB 3.560 . 5.330 3.961 3.311 4.118 . 0 0 "[ . 1 . 2]" 1
527 1 59 VAL HB 1 80 VAL MG2 3.600 . 5.400 3.241 2.605 4.224 . 0 0 "[ . 1 . 2]" 1
528 1 59 VAL QG 1 60 LYS H 3.340 . 4.880 3.200 1.900 3.442 . 0 0 "[ . 1 . 2]" 1
529 1 59 VAL QG 1 61 VAL H 5.090 . 8.390 4.065 3.580 4.437 . 0 0 "[ . 1 . 2]" 1
530 1 59 VAL QG 1 66 TRP H 4.160 . 6.520 3.058 2.632 4.140 . 0 0 "[ . 1 . 2]" 1
531 1 59 VAL QG 1 66 TRP HB2 4.170 . 6.550 2.732 2.195 3.993 . 0 0 "[ . 1 . 2]" 1
532 1 59 VAL QG 1 66 TRP HB3 4.460 . 7.130 3.921 3.430 4.975 . 0 0 "[ . 1 . 2]" 1
533 1 59 VAL QG 1 66 TRP HD1 5.040 . 8.280 3.822 3.219 4.828 . 0 0 "[ . 1 . 2]" 1
534 1 59 VAL QG 1 68 ALA H 4.210 . 6.620 3.717 3.532 3.929 . 0 0 "[ . 1 . 2]" 1
535 1 59 VAL QG 1 68 ALA MB 4.490 . 7.180 1.797 1.698 1.894 0.102 20 0 "[ . 1 . 2]" 1
536 1 59 VAL QG 1 80 VAL H 5.130 . 8.460 4.512 3.946 4.771 . 0 0 "[ . 1 . 2]" 1
537 1 59 VAL QG 1 90 LEU MD1 4.940 . 8.080 2.493 2.047 3.145 . 0 0 "[ . 1 . 2]" 1
538 1 59 VAL MG1 1 60 LYS H 3.600 . 5.400 3.544 1.903 3.825 . 0 0 "[ . 1 . 2]" 1
539 1 59 VAL MG2 1 60 LYS H 3.600 . 5.400 3.805 3.506 4.012 . 0 0 "[ . 1 . 2]" 1
540 1 60 LYS H 1 60 LYS HB2 2.530 . 3.260 2.827 2.604 3.121 . 0 0 "[ . 1 . 2]" 1
541 1 60 LYS H 1 60 LYS QB 2.430 . 3.070 2.402 2.323 2.591 . 0 0 "[ . 1 . 2]" 1
542 1 60 LYS H 1 60 LYS HB3 2.530 . 3.260 2.612 2.488 2.827 . 0 0 "[ . 1 . 2]" 1
543 1 60 LYS H 1 60 LYS QG 4.270 . 6.740 4.062 4.017 4.157 . 0 0 "[ . 1 . 2]" 1
544 1 60 LYS H 1 61 VAL MG2 4.410 . 7.020 4.097 3.638 4.466 . 0 0 "[ . 1 . 2]" 1
545 1 60 LYS HA 1 60 LYS QD 4.340 . 6.880 3.885 2.699 4.229 . 0 0 "[ . 1 . 2]" 1
546 1 60 LYS HA 1 60 LYS HG2 2.820 . 3.840 3.077 2.375 3.764 . 0 0 "[ . 1 . 2]" 1
547 1 60 LYS HA 1 60 LYS QG 2.690 . 3.580 2.394 2.260 2.549 . 0 0 "[ . 1 . 2]" 1
548 1 60 LYS HA 1 60 LYS HG3 2.820 . 3.840 2.553 2.321 3.595 . 0 0 "[ . 1 . 2]" 1
549 1 60 LYS HA 1 61 VAL H 2.260 . 2.720 2.134 2.104 2.163 . 0 0 "[ . 1 . 2]" 1
550 1 60 LYS HA 1 64 GLU H 3.290 . 4.780 4.741 4.426 4.905 0.125 5 0 "[ . 1 . 2]" 1
551 1 60 LYS HA 1 65 THR HA 2.310 . 2.830 2.190 1.775 2.488 0.015 3 0 "[ . 1 . 2]" 1
552 1 60 LYS HA 1 65 THR MG 3.970 . 6.150 3.552 2.896 4.773 . 0 0 "[ . 1 . 2]" 1
553 1 60 LYS HA 1 66 TRP H 2.930 . 4.060 3.322 2.986 3.776 . 0 0 "[ . 1 . 2]" 1
554 1 60 LYS QB 1 60 LYS QE 3.920 . 6.040 2.945 1.789 3.680 0.011 11 0 "[ . 1 . 2]" 1
555 1 60 LYS QB 1 61 VAL H 3.000 . 4.210 3.869 3.758 3.974 . 0 0 "[ . 1 . 2]" 1
556 1 60 LYS HB2 1 60 LYS HE2 4.780 . 7.760 4.034 2.021 4.850 . 0 0 "[ . 1 . 2]" 1
557 1 60 LYS HB2 1 60 LYS HE3 4.780 . 7.760 4.008 2.171 4.711 . 0 0 "[ . 1 . 2]" 1
558 1 60 LYS HB2 1 61 VAL H 3.180 . 4.560 4.411 4.290 4.511 . 0 0 "[ . 1 . 2]" 1
559 1 60 LYS HB3 1 60 LYS HE2 4.780 . 7.760 3.903 1.950 4.866 . 0 0 "[ . 1 . 2]" 1
560 1 60 LYS HB3 1 60 LYS HE3 4.780 . 7.760 3.862 1.816 4.872 . 0 0 "[ . 1 . 2]" 1
561 1 60 LYS HB3 1 61 VAL H 3.180 . 4.560 4.286 4.046 4.461 . 0 0 "[ . 1 . 2]" 1
562 1 60 LYS QD 1 63 GLY H 4.340 . 6.880 5.302 2.803 6.673 . 0 0 "[ . 1 . 2]" 1
563 1 60 LYS QD 1 63 GLY QA 4.630 . 7.470 4.057 2.404 4.867 . 0 0 "[ . 1 . 2]" 1
564 1 60 LYS QD 1 64 GLU H 4.340 . 6.880 5.393 3.851 6.346 . 0 0 "[ . 1 . 2]" 1
565 1 60 LYS QE 1 63 GLY QA 4.360 . 6.930 3.516 2.238 5.954 . 0 0 "[ . 1 . 2]" 1
566 1 60 LYS QG 1 63 GLY H 3.740 . 5.690 3.832 2.397 4.707 . 0 0 "[ . 1 . 2]" 1
567 1 60 LYS QG 1 64 GLU H 3.610 . 5.420 3.749 3.267 4.223 . 0 0 "[ . 1 . 2]" 1
568 1 60 LYS HG2 1 61 VAL H 3.090 . 4.380 3.529 2.936 4.498 0.118 14 0 "[ . 1 . 2]" 1
569 1 60 LYS HG2 1 64 GLU H 3.900 . 6.000 4.280 3.570 5.463 . 0 0 "[ . 1 . 2]" 1
570 1 60 LYS HG3 1 61 VAL H 3.090 . 4.380 3.572 2.830 4.542 0.162 11 0 "[ . 1 . 2]" 1
571 1 60 LYS HG3 1 64 GLU H 3.900 . 6.000 4.249 3.768 5.426 . 0 0 "[ . 1 . 2]" 1
572 1 61 VAL H 1 61 VAL HB 2.690 . 3.590 2.674 2.551 2.987 . 0 0 "[ . 1 . 2]" 1
573 1 61 VAL H 1 64 GLU H 2.640 . 3.480 3.470 3.237 3.584 0.104 16 0 "[ . 1 . 2]" 1
574 1 61 VAL H 1 65 THR HA 2.820 . 3.840 3.278 2.874 3.539 . 0 0 "[ . 1 . 2]" 1
575 1 61 VAL H 1 66 TRP HD1 2.620 . 3.440 2.835 2.196 3.441 0.001 7 0 "[ . 1 . 2]" 1
576 1 61 VAL H 1 66 TRP HE1 3.520 . 5.240 4.286 3.389 4.967 . 0 0 "[ . 1 . 2]" 1
577 1 61 VAL HA 1 62 ASP H 2.400 . 3.010 2.177 2.113 2.380 . 0 0 "[ . 1 . 2]" 1
578 1 61 VAL HB 1 66 TRP HD1 2.550 . 3.300 2.743 1.934 3.311 0.011 20 0 "[ . 1 . 2]" 1
579 1 61 VAL HB 1 66 TRP HE1 2.820 . 3.840 3.269 2.442 3.855 0.015 8 0 "[ . 1 . 2]" 1
580 1 61 VAL MG1 1 62 ASP H 3.620 . 5.440 3.114 2.206 3.818 . 0 0 "[ . 1 . 2]" 1
581 1 61 VAL MG1 1 62 ASP HB2 3.990 . 6.190 3.019 2.427 3.718 . 0 0 "[ . 1 . 2]" 1
582 1 61 VAL MG1 1 62 ASP QB 3.770 . 5.740 2.806 2.379 3.253 . 0 0 "[ . 1 . 2]" 1
583 1 61 VAL MG1 1 62 ASP HB3 3.990 . 6.190 3.485 3.162 4.848 . 0 0 "[ . 1 . 2]" 1
584 1 61 VAL MG1 1 64 GLU H 4.410 . 7.020 4.658 4.206 5.265 . 0 0 "[ . 1 . 2]" 1
585 1 61 VAL MG1 1 66 TRP HD1 3.420 . 5.040 4.256 3.632 4.720 . 0 0 "[ . 1 . 2]" 1
586 1 61 VAL MG1 1 66 TRP HE1 3.890 . 5.980 4.286 3.653 4.794 . 0 0 "[ . 1 . 2]" 1
587 1 61 VAL MG1 1 90 LEU MD1 4.360 . 6.920 3.873 2.897 4.920 . 0 0 "[ . 1 . 2]" 1
588 1 61 VAL MG2 1 62 ASP H 4.410 . 7.020 4.209 4.067 4.331 . 0 0 "[ . 1 . 2]" 1
589 1 61 VAL MG2 1 62 ASP QB 4.850 . 7.900 4.915 4.742 5.273 . 0 0 "[ . 1 . 2]" 1
590 1 61 VAL MG2 1 66 TRP HD1 3.330 . 4.860 2.724 2.171 3.305 . 0 0 "[ . 1 . 2]" 1
591 1 61 VAL MG2 1 66 TRP HE1 4.320 . 6.840 4.207 3.368 4.728 . 0 0 "[ . 1 . 2]" 1
592 1 61 VAL MG2 1 90 LEU MD1 4.230 . 6.670 2.577 1.924 3.369 . 0 0 "[ . 1 . 2]" 1
593 1 62 ASP H 1 63 GLY H 2.930 . 4.060 3.635 2.605 4.144 0.084 19 0 "[ . 1 . 2]" 1
594 1 62 ASP HA 1 63 GLY H 2.620 . 3.440 3.402 2.362 3.600 0.160 18 0 "[ . 1 . 2]" 1
595 1 62 ASP QB 1 63 GLY H 3.020 . 4.240 2.470 1.750 4.043 0.050 12 0 "[ . 1 . 2]" 1
596 1 62 ASP HB2 1 63 GLY H 3.110 . 4.420 3.728 2.094 4.616 0.196 20 0 "[ . 1 . 2]" 1
597 1 62 ASP HB3 1 63 GLY H 3.110 . 4.420 2.593 1.756 4.469 0.049 20 0 "[ . 1 . 2]" 1
598 1 63 GLY H 1 64 GLU H 2.670 . 3.550 2.053 1.654 3.235 0.136 19 0 "[ . 1 . 2]" 1
599 1 64 GLU H 1 64 GLU HB2 2.570 . 3.340 2.480 2.341 2.636 . 0 0 "[ . 1 . 2]" 1
600 1 64 GLU H 1 64 GLU HB3 2.710 . 3.620 3.687 3.614 3.774 0.154 8 0 "[ . 1 . 2]" 1
601 1 64 GLU H 1 64 GLU HG2 2.890 . 3.980 3.296 2.317 4.100 0.120 3 0 "[ . 1 . 2]" 1
602 1 64 GLU H 1 64 GLU QG 2.760 . 3.720 2.793 2.296 3.152 . 0 0 "[ . 1 . 2]" 1
603 1 64 GLU H 1 64 GLU HG3 2.890 . 3.980 3.543 2.674 4.113 0.133 12 0 "[ . 1 . 2]" 1
604 1 64 GLU HA 1 64 GLU QG 2.880 . 3.960 2.664 2.307 3.162 . 0 0 "[ . 1 . 2]" 1
605 1 64 GLU HA 1 65 THR H 2.310 . 2.830 2.270 2.124 2.403 . 0 0 "[ . 1 . 2]" 1
606 1 64 GLU HB2 1 65 THR H 2.940 . 4.090 3.947 3.598 4.182 0.092 5 0 "[ . 1 . 2]" 1
607 1 64 GLU HB2 1 66 TRP HD1 3.020 . 4.240 3.491 2.866 4.035 . 0 0 "[ . 1 . 2]" 1
608 1 64 GLU HB2 1 66 TRP HE1 2.820 . 3.840 2.169 1.779 2.843 0.021 1 0 "[ . 1 . 2]" 1
609 1 64 GLU HB2 1 66 TRP HZ2 3.320 . 4.850 3.991 2.981 4.893 0.043 8 0 "[ . 1 . 2]" 1
610 1 64 GLU HB3 1 65 THR H 2.640 . 3.480 2.796 2.353 3.157 . 0 0 "[ . 1 . 2]" 1
611 1 64 GLU HB3 1 66 TRP HD1 3.110 . 4.420 3.949 3.009 4.473 0.053 13 0 "[ . 1 . 2]" 1
612 1 64 GLU HB3 1 66 TRP HE1 2.890 . 3.980 2.983 2.033 3.632 . 0 0 "[ . 1 . 2]" 1
613 1 64 GLU HB3 1 66 TRP HZ2 3.650 . 5.500 4.147 3.531 4.926 . 0 0 "[ . 1 . 2]" 1
614 1 64 GLU QG 1 65 THR H 3.510 . 5.230 4.181 3.644 4.662 . 0 0 "[ . 1 . 2]" 1
615 1 64 GLU HG2 1 65 THR H 3.630 . 5.460 4.529 3.778 5.235 . 0 0 "[ . 1 . 2]" 1
616 1 64 GLU HG3 1 65 THR H 3.630 . 5.460 5.003 4.784 5.328 . 0 0 "[ . 1 . 2]" 1
617 1 65 THR H 1 65 THR HB 2.440 . 3.080 2.732 2.616 2.954 . 0 0 "[ . 1 . 2]" 1
618 1 65 THR HA 1 66 TRP H 2.300 . 2.800 2.133 2.107 2.180 . 0 0 "[ . 1 . 2]" 1
619 1 65 THR HA 1 66 TRP HD1 3.270 . 4.740 3.620 3.233 4.028 . 0 0 "[ . 1 . 2]" 1
620 1 65 THR HB 1 66 TRP H 2.930 . 4.060 4.175 4.105 4.229 0.169 19 0 "[ . 1 . 2]" 1
621 1 65 THR MG 1 66 TRP H 3.220 . 4.640 3.091 2.738 3.982 . 0 0 "[ . 1 . 2]" 1
622 1 66 TRP H 1 66 TRP HB2 2.570 . 3.340 2.588 2.442 2.733 . 0 0 "[ . 1 . 2]" 1
623 1 66 TRP H 1 66 TRP HB3 2.870 . 3.950 3.751 3.670 3.833 . 0 0 "[ . 1 . 2]" 1
624 1 66 TRP H 1 66 TRP HD1 2.840 . 3.880 2.948 2.606 3.360 . 0 0 "[ . 1 . 2]" 1
625 1 66 TRP HA 1 66 TRP HE3 3.200 . 4.600 3.296 2.966 3.684 . 0 0 "[ . 1 . 2]" 1
626 1 66 TRP HA 1 67 ARG H 2.330 . 2.870 2.387 2.269 2.455 . 0 0 "[ . 1 . 2]" 1
627 1 66 TRP HB2 1 66 TRP HD1 2.750 . 3.700 2.729 2.647 2.840 . 0 0 "[ . 1 . 2]" 1
628 1 66 TRP HB2 1 67 ARG H 3.000 . 4.200 3.691 3.554 3.945 . 0 0 "[ . 1 . 2]" 1
629 1 66 TRP HB2 1 90 LEU MD1 3.420 . 5.040 2.384 2.089 2.973 . 0 0 "[ . 1 . 2]" 1
630 1 66 TRP HB2 1 90 LEU MD2 4.410 . 7.020 4.193 3.688 4.711 . 0 0 "[ . 1 . 2]" 1
631 1 66 TRP HB2 1 90 LEU HG 2.760 . 3.730 3.288 2.743 3.764 0.034 15 0 "[ . 1 . 2]" 1
632 1 66 TRP HB3 1 66 TRP HE3 2.660 . 3.520 2.529 2.436 2.636 . 0 0 "[ . 1 . 2]" 1
633 1 66 TRP HB3 1 67 ARG H 2.690 . 3.590 2.525 2.417 2.810 . 0 0 "[ . 1 . 2]" 1
634 1 66 TRP HB3 1 90 LEU MD1 3.490 . 5.180 2.854 2.413 3.449 . 0 0 "[ . 1 . 2]" 1
635 1 66 TRP HB3 1 90 LEU MD2 4.410 . 7.020 3.621 3.006 4.342 . 0 0 "[ . 1 . 2]" 1
636 1 66 TRP HB3 1 90 LEU HG 2.570 . 3.340 2.660 2.374 3.170 . 0 0 "[ . 1 . 2]" 1
637 1 66 TRP HD1 1 90 LEU MD1 3.990 . 6.190 3.519 2.818 4.556 . 0 0 "[ . 1 . 2]" 1
638 1 66 TRP HE3 1 67 ARG H 3.900 . 6.000 3.497 3.203 3.778 . 0 0 "[ . 1 . 2]" 1
639 1 66 TRP HE3 1 90 LEU MD2 4.410 . 7.020 3.829 3.062 5.012 . 0 0 "[ . 1 . 2]" 1
640 1 66 TRP HE3 1 90 LEU HG 3.520 . 5.240 4.066 3.424 4.688 . 0 0 "[ . 1 . 2]" 1
641 1 66 TRP HZ3 1 90 LEU MD2 4.410 . 7.020 4.747 3.933 5.949 . 0 0 "[ . 1 . 2]" 1
642 1 67 ARG H 1 67 ARG HB2 2.510 . 3.230 2.452 2.242 2.743 . 0 0 "[ . 1 . 2]" 1
643 1 67 ARG H 1 67 ARG HB3 2.690 . 3.590 3.636 3.551 3.689 0.099 12 0 "[ . 1 . 2]" 1
644 1 67 ARG H 1 67 ARG HG2 2.910 . 4.020 3.925 3.181 4.077 0.057 18 0 "[ . 1 . 2]" 1
645 1 67 ARG H 1 67 ARG QG 2.670 . 3.550 3.234 2.226 3.545 . 0 0 "[ . 1 . 2]" 1
646 1 67 ARG H 1 67 ARG HG3 2.910 . 4.020 3.460 2.273 3.895 . 0 0 "[ . 1 . 2]" 1
647 1 67 ARG H 1 68 ALA H 3.250 . 4.700 4.600 4.562 4.642 . 0 0 "[ . 1 . 2]" 1
648 1 67 ARG HA 1 67 ARG HD2 3.790 . 5.780 3.281 2.802 4.560 . 0 0 "[ . 1 . 2]" 1
649 1 67 ARG HA 1 67 ARG QD 3.520 . 5.240 3.141 2.727 3.893 . 0 0 "[ . 1 . 2]" 1
650 1 67 ARG HA 1 67 ARG HD3 3.790 . 5.780 4.100 3.737 4.575 . 0 0 "[ . 1 . 2]" 1
651 1 67 ARG HA 1 67 ARG HG2 2.840 . 3.880 3.570 2.317 3.750 . 0 0 "[ . 1 . 2]" 1
652 1 67 ARG HA 1 67 ARG QG 2.700 . 3.610 2.443 2.280 2.644 . 0 0 "[ . 1 . 2]" 1
653 1 67 ARG HA 1 67 ARG HG3 2.840 . 3.880 2.575 2.369 3.419 . 0 0 "[ . 1 . 2]" 1
654 1 67 ARG HA 1 68 ALA H 2.240 . 2.690 2.274 2.151 2.490 . 0 0 "[ . 1 . 2]" 1
655 1 67 ARG HA 1 68 ALA MB 4.410 . 7.020 3.833 3.762 3.907 . 0 0 "[ . 1 . 2]" 1
656 1 67 ARG HB2 1 67 ARG QG 2.190 . 2.580 2.389 2.196 2.451 . 0 0 "[ . 1 . 2]" 1
657 1 67 ARG HB2 1 68 ALA H 3.110 . 4.420 3.906 3.507 4.227 . 0 0 "[ . 1 . 2]" 1
658 1 67 ARG HB2 1 89 LYS HG2 3.030 . 4.270 2.835 1.903 4.234 . 0 0 "[ . 1 . 2]" 1
659 1 67 ARG HB2 1 89 LYS QG 2.850 . 3.910 2.745 1.897 3.868 . 0 0 "[ . 1 . 2]" 1
660 1 67 ARG HB2 1 89 LYS HG3 3.030 . 4.270 3.980 3.359 4.509 0.239 8 0 "[ . 1 . 2]" 1
661 1 67 ARG HB3 1 67 ARG HD2 2.850 . 3.910 3.683 2.366 3.942 0.032 1 0 "[ . 1 . 2]" 1
662 1 67 ARG HB3 1 67 ARG QD 2.690 . 3.580 3.196 2.311 3.324 . 0 0 "[ . 1 . 2]" 1
663 1 67 ARG HB3 1 67 ARG HD3 2.850 . 3.910 3.547 2.569 3.715 . 0 0 "[ . 1 . 2]" 1
664 1 67 ARG HB3 1 67 ARG HG2 2.240 . 2.690 2.383 2.306 2.651 . 0 0 "[ . 1 . 2]" 1
665 1 67 ARG HB3 1 67 ARG QG 2.090 . 2.390 2.196 2.160 2.475 0.085 6 0 "[ . 1 . 2]" 1
666 1 67 ARG HB3 1 67 ARG HG3 2.240 . 2.690 2.579 2.468 3.013 0.323 5 0 "[ . 1 . 2]" 1
667 1 67 ARG HB3 1 68 ALA H 2.780 . 3.770 2.806 2.216 3.151 . 0 0 "[ . 1 . 2]" 1
668 1 67 ARG HB3 1 89 LYS QG 3.330 . 4.860 2.999 1.783 4.650 0.017 20 0 "[ . 1 . 2]" 1
669 1 67 ARG QD 1 68 ALA H 3.540 . 5.290 4.814 4.232 5.012 . 0 0 "[ . 1 . 2]" 1
670 1 67 ARG QD 1 88 VAL QG 5.020 . 8.240 3.122 1.887 4.446 . 0 0 "[ . 1 . 2]" 1
671 1 67 ARG QD 1 89 LYS QG 4.760 . 7.720 3.998 2.432 4.962 . 0 0 "[ . 1 . 2]" 1
672 1 67 ARG HD2 1 68 ALA H 3.680 . 5.570 5.207 4.355 5.484 . 0 0 "[ . 1 . 2]" 1
673 1 67 ARG HD2 1 88 VAL MG1 5.960 . 10.120 5.333 3.215 7.601 . 0 0 "[ . 1 . 2]" 1
674 1 67 ARG HD2 1 88 VAL MG2 5.960 . 10.120 5.330 3.497 8.109 . 0 0 "[ . 1 . 2]" 1
675 1 67 ARG HD3 1 68 ALA H 3.680 . 5.570 5.704 4.930 5.825 0.255 3 0 "[ . 1 . 2]" 1
676 1 67 ARG HD3 1 88 VAL MG1 5.960 . 10.120 4.090 1.902 6.147 . 0 0 "[ . 1 . 2]" 1
677 1 67 ARG HD3 1 88 VAL MG2 5.960 . 10.120 4.074 2.183 6.643 . 0 0 "[ . 1 . 2]" 1
678 1 67 ARG QG 1 68 ALA H 3.230 . 4.660 3.950 3.620 4.269 . 0 0 "[ . 1 . 2]" 1
679 1 67 ARG QG 1 89 LYS QG 4.580 . 7.370 3.696 3.026 5.087 . 0 0 "[ . 1 . 2]" 1
680 1 67 ARG HG2 1 68 ALA H 3.360 . 4.920 4.853 4.103 5.055 0.135 19 0 "[ . 1 . 2]" 1
681 1 67 ARG HG3 1 68 ALA H 3.360 . 4.920 4.246 3.741 5.065 0.145 6 0 "[ . 1 . 2]" 1
682 1 68 ALA H 1 69 THR H 3.500 . 5.210 4.367 4.276 4.436 . 0 0 "[ . 1 . 2]" 1
683 1 68 ALA HA 1 69 THR H 2.240 . 2.690 2.166 2.126 2.230 . 0 0 "[ . 1 . 2]" 1
684 1 68 ALA HA 1 69 THR MG 3.940 . 6.080 4.521 3.777 5.370 . 0 0 "[ . 1 . 2]" 1
685 1 68 ALA HA 1 89 LYS QB 3.400 . 5.010 3.305 2.727 3.808 . 0 0 "[ . 1 . 2]" 1
686 1 68 ALA HA 1 90 LEU H 2.400 . 3.010 2.209 1.844 2.483 . 0 0 "[ . 1 . 2]" 1
687 1 68 ALA HA 1 90 LEU HB2 2.850 . 3.910 2.842 2.520 3.082 . 0 0 "[ . 1 . 2]" 1
688 1 68 ALA HA 1 90 LEU HB3 3.860 . 5.930 4.406 4.057 4.608 . 0 0 "[ . 1 . 2]" 1
689 1 68 ALA MB 1 69 THR H 2.970 . 4.140 2.833 2.615 2.886 . 0 0 "[ . 1 . 2]" 1
690 1 68 ALA MB 1 90 LEU H 3.490 . 5.180 3.615 3.311 3.883 . 0 0 "[ . 1 . 2]" 1
691 1 68 ALA MB 1 90 LEU MD1 4.770 . 7.750 3.490 3.068 3.994 . 0 0 "[ . 1 . 2]" 1
692 1 68 ALA MB 1 92 VAL H 4.410 . 7.020 3.741 3.335 4.006 . 0 0 "[ . 1 . 2]" 1
693 1 68 ALA MB 1 92 VAL MG1 4.200 . 6.600 2.616 2.251 2.935 . 0 0 "[ . 1 . 2]" 1
694 1 68 ALA MB 1 92 VAL MG2 3.620 . 5.450 1.941 1.744 2.124 0.046 15 0 "[ . 1 . 2]" 1
695 1 69 THR H 1 69 THR HB 2.780 . 3.770 3.381 2.750 3.808 0.038 9 0 "[ . 1 . 2]" 1
696 1 69 THR H 1 69 THR MG 2.930 . 4.070 3.489 3.035 4.005 . 0 0 "[ . 1 . 2]" 1
697 1 69 THR H 1 89 LYS QB 3.740 . 5.690 3.631 3.257 4.005 . 0 0 "[ . 1 . 2]" 1
698 1 69 THR H 1 90 LEU H 3.070 . 4.340 3.597 3.336 3.864 . 0 0 "[ . 1 . 2]" 1
699 1 69 THR H 1 91 VAL HA 2.570 . 3.340 3.128 2.952 3.366 0.026 12 0 "[ . 1 . 2]" 1
700 1 69 THR H 1 91 VAL MG2 3.850 . 5.900 4.367 4.122 4.673 . 0 0 "[ . 1 . 2]" 1
701 1 69 THR H 1 92 VAL H 2.670 . 3.550 3.395 3.195 3.540 . 0 0 "[ . 1 . 2]" 1
702 1 69 THR H 1 92 VAL MG1 4.060 . 6.330 3.998 3.610 4.255 . 0 0 "[ . 1 . 2]" 1
703 1 69 THR H 1 92 VAL MG2 3.540 . 5.290 3.197 2.875 3.607 . 0 0 "[ . 1 . 2]" 1
704 1 69 THR HA 1 70 SER H 2.400 . 3.010 2.303 2.145 2.456 . 0 0 "[ . 1 . 2]" 1
705 1 69 THR HB 1 70 SER H 2.490 . 3.190 3.134 2.570 3.378 0.188 12 0 "[ . 1 . 2]" 1
706 1 69 THR HB 1 89 LYS QD 3.580 . 5.370 4.533 3.574 5.408 0.038 4 0 "[ . 1 . 2]" 1
707 1 69 THR MG 1 70 SER H 3.270 . 4.750 2.863 1.762 3.754 0.028 20 0 "[ . 1 . 2]" 1
708 1 69 THR MG 1 89 LYS HB2 3.850 . 5.900 4.251 2.618 5.716 . 0 0 "[ . 1 . 2]" 1
709 1 69 THR MG 1 89 LYS HB3 3.850 . 5.900 3.816 2.505 5.810 . 0 0 "[ . 1 . 2]" 1
710 1 69 THR MG 1 89 LYS QD 4.430 . 7.070 2.854 1.753 4.548 0.037 6 0 "[ . 1 . 2]" 1
711 1 69 THR MG 1 89 LYS QE 4.420 . 7.040 3.284 2.094 4.951 . 0 0 "[ . 1 . 2]" 1
712 1 69 THR MG 1 90 LEU H 3.920 . 6.050 5.296 4.394 6.193 0.143 20 0 "[ . 1 . 2]" 1
713 1 69 THR MG 1 91 VAL HA 3.450 . 5.110 5.016 4.597 5.215 0.105 6 0 "[ . 1 . 2]" 1
714 1 69 THR MG 1 91 VAL MG2 4.050 . 6.310 4.705 4.296 5.054 . 0 0 "[ . 1 . 2]" 1
715 1 69 THR MG 1 92 VAL H 4.410 . 7.020 5.599 5.104 5.879 . 0 0 "[ . 1 . 2]" 1
716 1 70 SER H 1 70 SER HB2 2.840 . 3.880 3.315 2.800 3.996 0.116 11 0 "[ . 1 . 2]" 1
717 1 70 SER H 1 70 SER QB 2.710 . 3.630 2.868 2.612 3.326 . 0 0 "[ . 1 . 2]" 1
718 1 70 SER H 1 70 SER HB3 2.840 . 3.880 3.273 2.752 3.961 0.081 3 0 "[ . 1 . 2]" 1
719 1 70 SER H 1 71 GLY H 3.390 . 4.990 4.258 1.704 4.465 0.086 12 0 "[ . 1 . 2]" 1
720 1 70 SER HA 1 71 GLY H 2.400 . 3.010 2.491 2.246 3.182 0.172 12 0 "[ . 1 . 2]" 1
721 1 70 SER HA 1 91 VAL MG1 3.650 . 5.510 3.702 2.847 4.487 . 0 0 "[ . 1 . 2]" 1
722 1 70 SER HA 1 91 VAL MG2 3.920 . 6.050 5.241 4.357 6.000 . 0 0 "[ . 1 . 2]" 1
723 1 70 SER HA 1 92 VAL H 2.850 . 3.910 3.791 3.381 4.001 0.091 6 0 "[ . 1 . 2]" 1
724 1 70 SER QB 1 72 THR H 2.720 . 3.650 2.627 2.222 3.120 . 0 0 "[ . 1 . 2]" 1
725 1 70 SER QB 1 74 LEU MD1 3.000 . 4.210 2.557 2.274 2.976 . 0 0 "[ . 1 . 2]" 1
726 1 70 SER QB 1 92 VAL H 3.670 . 5.550 3.713 2.803 4.788 . 0 0 "[ . 1 . 2]" 1
727 1 70 SER QB 1 92 VAL MG2 3.820 . 5.850 2.765 2.119 3.918 . 0 0 "[ . 1 . 2]" 1
728 1 70 SER HB2 1 71 GLY H 3.340 . 4.880 3.627 2.012 4.360 . 0 0 "[ . 1 . 2]" 1
729 1 70 SER HB2 1 72 THR H 2.980 . 4.160 3.660 2.476 4.258 0.098 12 0 "[ . 1 . 2]" 1
730 1 70 SER HB2 1 74 LEU MD1 3.130 . 4.460 2.845 2.402 3.638 . 0 0 "[ . 1 . 2]" 1
731 1 70 SER HB3 1 71 GLY H 3.340 . 4.880 3.331 2.552 3.888 . 0 0 "[ . 1 . 2]" 1
732 1 70 SER HB3 1 72 THR H 2.980 . 4.160 2.889 2.315 4.185 0.025 19 0 "[ . 1 . 2]" 1
733 1 70 SER HB3 1 74 LEU MD1 3.130 . 4.460 2.956 2.612 3.237 . 0 0 "[ . 1 . 2]" 1
734 1 71 GLY H 1 72 THR H 2.490 . 3.190 2.478 2.148 3.229 0.039 12 0 "[ . 1 . 2]" 1
735 1 71 GLY H 1 72 THR MG 4.080 . 6.370 5.304 4.228 6.360 . 0 0 "[ . 1 . 2]" 1
736 1 71 GLY H 1 74 LEU MD1 4.410 . 7.020 5.237 4.674 5.734 . 0 0 "[ . 1 . 2]" 1
737 1 71 GLY H 1 91 VAL MG1 4.060 . 6.330 5.053 4.102 5.873 . 0 0 "[ . 1 . 2]" 1
738 1 72 THR H 1 72 THR HB 2.660 . 3.520 3.086 2.762 3.673 0.153 8 0 "[ . 1 . 2]" 1
739 1 72 THR H 1 72 THR MG 3.090 . 4.390 3.758 2.928 4.049 . 0 0 "[ . 1 . 2]" 1
740 1 72 THR H 1 74 LEU MD1 3.980 . 6.160 4.529 4.004 4.938 . 0 0 "[ . 1 . 2]" 1
741 1 72 THR HA 1 72 THR HB 2.390 . 2.980 2.932 2.570 3.027 0.047 7 0 "[ . 1 . 2]" 1
742 1 72 THR HA 1 73 VAL H 2.300 . 2.800 2.450 2.247 2.539 . 0 0 "[ . 1 . 2]" 1
743 1 72 THR HA 1 73 VAL QG 4.980 . 8.170 3.676 3.352 4.015 . 0 0 "[ . 1 . 2]" 1
744 1 72 THR HB 1 73 VAL H 2.420 . 3.050 3.073 2.459 3.223 0.173 7 0 "[ . 1 . 2]" 1
745 1 72 THR HB 1 74 LEU MD1 4.120 . 6.440 4.307 3.497 5.390 . 0 0 "[ . 1 . 2]" 1
746 1 72 THR MG 1 73 VAL H 3.130 . 4.460 2.095 1.620 3.561 0.180 12 0 "[ . 1 . 2]" 1
747 1 73 VAL H 1 73 VAL HB 2.330 . 2.870 2.704 2.520 2.913 0.043 6 0 "[ . 1 . 2]" 1
748 1 73 VAL H 1 73 VAL MG1 3.330 . 4.860 2.769 1.839 3.833 . 0 0 "[ . 1 . 2]" 1
749 1 73 VAL H 1 73 VAL QG 2.940 . 4.090 2.070 1.835 2.354 . 0 0 "[ . 1 . 2]" 1
750 1 73 VAL H 1 73 VAL MG2 3.330 . 4.860 3.128 2.193 3.864 . 0 0 "[ . 1 . 2]" 1
751 1 73 VAL H 1 74 LEU H 3.390 . 4.990 4.431 4.171 4.586 . 0 0 "[ . 1 . 2]" 1
752 1 73 VAL HA 1 74 LEU H 2.280 . 2.760 2.151 2.117 2.183 . 0 0 "[ . 1 . 2]" 1
753 1 73 VAL HB 1 74 LEU H 3.210 . 4.630 4.275 4.141 4.441 . 0 0 "[ . 1 . 2]" 1
754 1 73 VAL QG 1 74 LEU H 3.380 . 4.970 2.806 2.507 3.235 . 0 0 "[ . 1 . 2]" 1
755 1 73 VAL MG1 1 74 LEU H 3.870 . 5.940 3.605 2.837 4.243 . 0 0 "[ . 1 . 2]" 1
756 1 73 VAL MG2 1 74 LEU H 3.870 . 5.940 3.360 2.536 4.304 . 0 0 "[ . 1 . 2]" 1
757 1 74 LEU H 1 74 LEU HB2 2.690 . 3.590 2.587 2.426 2.699 . 0 0 "[ . 1 . 2]" 1
758 1 74 LEU H 1 74 LEU HB3 2.890 . 3.980 3.737 3.623 3.821 . 0 0 "[ . 1 . 2]" 1
759 1 74 LEU H 1 74 LEU MD1 3.920 . 6.050 3.887 3.629 4.085 . 0 0 "[ . 1 . 2]" 1
760 1 74 LEU H 1 74 LEU MD2 4.080 . 6.370 3.622 3.351 3.922 . 0 0 "[ . 1 . 2]" 1
761 1 74 LEU H 1 74 LEU HG 2.910 . 4.020 2.709 2.356 3.109 . 0 0 "[ . 1 . 2]" 1
762 1 74 LEU H 1 75 ASP H 3.390 . 4.990 4.426 4.232 4.541 . 0 0 "[ . 1 . 2]" 1
763 1 74 LEU HA 1 74 LEU MD1 3.800 . 5.800 3.886 3.852 3.918 . 0 0 "[ . 1 . 2]" 1
764 1 74 LEU HA 1 74 LEU MD2 3.360 . 4.930 2.063 1.976 2.123 . 0 0 "[ . 1 . 2]" 1
765 1 74 LEU HA 1 75 ASP H 2.480 . 3.160 2.164 2.115 2.249 . 0 0 "[ . 1 . 2]" 1
766 1 74 LEU HB2 1 74 LEU HG 2.350 . 2.900 2.472 2.438 2.513 . 0 0 "[ . 1 . 2]" 1
767 1 74 LEU HB2 1 75 ASP H 2.940 . 4.090 4.147 3.915 4.254 0.164 3 0 "[ . 1 . 2]" 1
768 1 74 LEU HB3 1 75 ASP H 2.840 . 3.880 3.249 2.888 3.507 . 0 0 "[ . 1 . 2]" 1
769 1 74 LEU HB3 1 78 GLU HB2 3.630 . 5.460 3.455 3.037 3.957 . 0 0 "[ . 1 . 2]" 1
770 1 74 LEU HB3 1 78 GLU HB3 3.300 . 4.810 4.116 3.595 4.697 . 0 0 "[ . 1 . 2]" 1
771 1 74 LEU MD1 1 75 ASP H 4.350 . 6.910 5.075 4.771 5.265 . 0 0 "[ . 1 . 2]" 1
772 1 74 LEU MD1 1 78 GLU HB2 3.980 . 6.160 4.639 4.285 5.086 . 0 0 "[ . 1 . 2]" 1
773 1 74 LEU MD1 1 78 GLU HG2 4.410 . 7.020 6.265 5.828 6.862 . 0 0 "[ . 1 . 2]" 1
774 1 74 LEU MD1 1 94 LYS H 3.350 . 4.900 3.809 2.971 4.359 . 0 0 "[ . 1 . 2]" 1
775 1 74 LEU MD2 1 75 ASP H 3.360 . 4.930 3.683 3.472 3.837 . 0 0 "[ . 1 . 2]" 1
776 1 74 LEU MD2 1 78 GLU HB2 3.990 . 6.190 4.181 3.860 4.613 . 0 0 "[ . 1 . 2]" 1
777 1 74 LEU MD2 1 78 GLU HB3 3.740 . 5.690 3.858 3.276 4.310 . 0 0 "[ . 1 . 2]" 1
778 1 74 LEU MD2 1 78 GLU HG2 4.150 . 6.510 5.101 4.565 5.543 . 0 0 "[ . 1 . 2]" 1
779 1 74 LEU MD2 1 78 GLU HG3 3.990 . 6.190 3.720 3.097 4.360 . 0 0 "[ . 1 . 2]" 1
780 1 74 LEU MD2 1 94 LYS H 3.360 . 4.930 3.299 2.610 4.213 . 0 0 "[ . 1 . 2]" 1
781 1 74 LEU MD2 1 94 LYS HA 3.850 . 5.900 3.282 2.741 4.092 . 0 0 "[ . 1 . 2]" 1
782 1 74 LEU MD2 1 94 LYS HB2 3.310 . 4.820 2.148 1.770 3.128 0.030 1 0 "[ . 1 . 2]" 1
783 1 74 LEU MD2 1 94 LYS HB3 3.330 . 4.860 3.487 3.040 4.161 . 0 0 "[ . 1 . 2]" 1
784 1 74 LEU MD2 1 94 LYS QE 4.200 . 6.600 4.057 2.728 4.999 . 0 0 "[ . 1 . 2]" 1
785 1 74 LEU MD2 1 95 LEU H 4.410 . 7.020 4.849 4.193 5.687 . 0 0 "[ . 1 . 2]" 1
786 1 74 LEU HG 1 75 ASP H 3.900 . 6.000 5.150 5.036 5.251 . 0 0 "[ . 1 . 2]" 1
787 1 75 ASP H 1 75 ASP HB2 2.400 . 3.010 2.492 2.338 2.759 . 0 0 "[ . 1 . 2]" 1
788 1 75 ASP H 1 75 ASP HB3 2.690 . 3.590 3.052 2.520 3.680 0.090 16 0 "[ . 1 . 2]" 1
789 1 75 ASP H 1 76 VAL H 3.200 . 4.600 4.538 4.484 4.622 0.022 10 0 "[ . 1 . 2]" 1
790 1 75 ASP H 1 78 GLU HB2 3.050 . 4.310 3.701 3.389 3.994 . 0 0 "[ . 1 . 2]" 1
791 1 75 ASP H 1 78 GLU HB3 3.270 . 4.740 4.581 4.236 4.823 0.083 11 0 "[ . 1 . 2]" 1
792 1 75 ASP H 1 78 GLU HG2 2.910 . 4.020 3.310 2.886 3.908 . 0 0 "[ . 1 . 2]" 1
793 1 75 ASP H 1 78 GLU HG3 3.500 . 5.210 2.650 2.168 3.510 . 0 0 "[ . 1 . 2]" 1
794 1 75 ASP HA 1 76 VAL H 2.280 . 2.760 2.498 2.356 2.627 . 0 0 "[ . 1 . 2]" 1
795 1 75 ASP HB2 1 76 VAL H 2.690 . 3.590 3.714 3.606 3.811 0.221 4 0 "[ . 1 . 2]" 1
796 1 75 ASP HB3 1 76 VAL H 2.420 . 3.050 2.767 2.300 3.306 0.256 5 0 "[ . 1 . 2]" 1
797 1 76 VAL H 1 76 VAL HB 2.310 . 2.830 2.532 2.499 2.585 . 0 0 "[ . 1 . 2]" 1
798 1 76 VAL H 1 76 VAL MG2 2.680 . 3.560 2.082 1.927 2.204 . 0 0 "[ . 1 . 2]" 1
799 1 76 VAL H 1 77 GLY H 3.320 . 4.850 4.587 4.484 4.640 . 0 0 "[ . 1 . 2]" 1
800 1 76 VAL HA 1 77 GLY H 2.210 . 2.620 2.178 2.137 2.222 . 0 0 "[ . 1 . 2]" 1
801 1 76 VAL HA 1 77 GLY QA 3.350 . 4.900 3.939 3.900 3.973 . 0 0 "[ . 1 . 2]" 1
802 1 76 VAL HA 1 78 GLU H 2.750 . 3.700 3.321 3.199 3.556 . 0 0 "[ . 1 . 2]" 1
803 1 76 VAL HB 1 77 GLY H 3.000 . 4.200 4.134 3.988 4.274 0.074 15 0 "[ . 1 . 2]" 1
804 1 76 VAL MG1 1 77 GLY H 2.880 . 3.960 2.595 2.386 2.924 . 0 0 "[ . 1 . 2]" 1
805 1 76 VAL MG1 1 77 GLY HA2 3.760 . 5.720 3.421 3.291 3.572 . 0 0 "[ . 1 . 2]" 1
806 1 76 VAL MG1 1 77 GLY QA 3.570 . 5.340 3.075 2.966 3.290 . 0 0 "[ . 1 . 2]" 1
807 1 76 VAL MG1 1 77 GLY HA3 3.760 . 5.720 3.489 3.327 3.848 . 0 0 "[ . 1 . 2]" 1
808 1 76 VAL MG2 1 77 GLY H 3.780 . 5.760 4.045 3.958 4.191 . 0 0 "[ . 1 . 2]" 1
809 1 77 GLY H 1 78 GLU H 2.490 . 3.190 2.412 2.250 2.574 . 0 0 "[ . 1 . 2]" 1
810 1 78 GLU H 1 78 GLU HB2 2.400 . 3.010 2.256 2.111 2.425 . 0 0 "[ . 1 . 2]" 1
811 1 78 GLU H 1 78 GLU HB3 2.580 . 3.370 3.538 3.443 3.607 0.237 2 0 "[ . 1 . 2]" 1
812 1 78 GLU H 1 78 GLU HG2 2.620 . 3.440 2.650 2.409 3.124 . 0 0 "[ . 1 . 2]" 1
813 1 78 GLU H 1 78 GLU HG3 2.780 . 3.770 3.863 3.758 3.960 0.190 18 0 "[ . 1 . 2]" 1
814 1 78 GLU HA 1 78 GLU HG2 2.890 . 3.980 2.921 2.513 3.242 . 0 0 "[ . 1 . 2]" 1
815 1 78 GLU HA 1 78 GLU HG3 2.690 . 3.590 3.666 3.622 3.698 0.108 19 0 "[ . 1 . 2]" 1
816 1 78 GLU HA 1 79 GLU H 2.210 . 2.620 2.413 2.330 2.504 . 0 0 "[ . 1 . 2]" 1
817 1 78 GLU HB2 1 78 GLU HG3 2.100 . 2.400 2.429 2.330 2.495 0.095 2 0 "[ . 1 . 2]" 1
818 1 78 GLU HB2 1 79 GLU H 2.850 . 3.910 3.639 3.320 3.847 . 0 0 "[ . 1 . 2]" 1
819 1 78 GLU HB3 1 79 GLU H 2.660 . 3.520 2.262 2.097 2.439 . 0 0 "[ . 1 . 2]" 1
820 1 78 GLU HB3 1 80 VAL MG1 3.760 . 5.720 3.521 2.970 4.192 . 0 0 "[ . 1 . 2]" 1
821 1 78 GLU HG2 1 79 GLU H 3.200 . 4.600 4.584 4.167 4.761 0.161 2 0 "[ . 1 . 2]" 1
822 1 78 GLU HG3 1 79 GLU H 3.020 . 4.240 4.430 4.375 4.522 0.282 5 0 "[ . 1 . 2]" 1
823 1 79 GLU H 1 79 GLU HB2 2.480 . 3.160 2.616 2.474 2.753 . 0 0 "[ . 1 . 2]" 1
824 1 79 GLU H 1 79 GLU HB3 2.800 . 3.800 3.766 3.682 3.852 0.052 19 0 "[ . 1 . 2]" 1
825 1 79 GLU H 1 79 GLU HG2 2.800 . 3.800 3.581 2.478 3.892 0.092 11 0 "[ . 1 . 2]" 1
826 1 79 GLU H 1 79 GLU QG 2.640 . 3.480 2.792 2.449 3.008 . 0 0 "[ . 1 . 2]" 1
827 1 79 GLU H 1 79 GLU HG3 2.800 . 3.800 3.095 2.588 3.894 0.094 12 0 "[ . 1 . 2]" 1
828 1 79 GLU H 1 80 VAL H 3.110 . 4.420 4.424 4.342 4.495 0.075 18 0 "[ . 1 . 2]" 1
829 1 79 GLU H 1 80 VAL MG1 4.300 . 6.800 4.030 3.825 4.261 . 0 0 "[ . 1 . 2]" 1
830 1 79 GLU HA 1 79 GLU HG2 2.820 . 3.840 2.593 2.405 3.177 . 0 0 "[ . 1 . 2]" 1
831 1 79 GLU HA 1 79 GLU QG 2.630 . 3.470 2.512 2.354 3.045 . 0 0 "[ . 1 . 2]" 1
832 1 79 GLU HA 1 79 GLU HG3 2.820 . 3.840 3.391 3.084 3.905 0.065 8 0 "[ . 1 . 2]" 1
833 1 79 GLU HA 1 80 VAL H 2.220 . 2.650 2.193 2.141 2.259 . 0 0 "[ . 1 . 2]" 1
834 1 79 GLU HB2 1 80 VAL H 2.960 . 4.130 4.105 3.922 4.292 0.162 12 0 "[ . 1 . 2]" 1
835 1 79 GLU HB2 1 95 LEU HB3 3.500 . 5.210 3.391 2.308 4.684 . 0 0 "[ . 1 . 2]" 1
836 1 79 GLU HB2 1 95 LEU QD 4.160 . 6.520 3.045 2.090 5.533 . 0 0 "[ . 1 . 2]" 1
837 1 79 GLU HB3 1 80 VAL H 2.870 . 3.950 3.163 2.865 3.455 . 0 0 "[ . 1 . 2]" 1
838 1 79 GLU QG 1 80 VAL H 3.620 . 5.450 4.267 4.030 4.828 . 0 0 "[ . 1 . 2]" 1
839 1 79 GLU HG2 1 80 VAL H 3.900 . 6.000 4.512 4.208 5.226 . 0 0 "[ . 1 . 2]" 1
840 1 79 GLU HG3 1 80 VAL H 3.900 . 6.000 5.280 5.087 5.679 . 0 0 "[ . 1 . 2]" 1
841 1 80 VAL H 1 80 VAL HB 3.000 . 4.200 3.825 3.790 3.888 . 0 0 "[ . 1 . 2]" 1
842 1 80 VAL H 1 80 VAL MG1 3.240 . 4.680 2.944 2.837 3.017 . 0 0 "[ . 1 . 2]" 1
843 1 80 VAL H 1 80 VAL MG2 2.720 . 3.640 2.142 2.069 2.263 . 0 0 "[ . 1 . 2]" 1
844 1 80 VAL HA 1 80 VAL HB 2.390 . 2.980 2.486 2.453 2.508 . 0 0 "[ . 1 . 2]" 1
845 1 80 VAL HA 1 81 SER H 2.280 . 2.760 2.320 2.191 2.621 . 0 0 "[ . 1 . 2]" 1
846 1 80 VAL HA 1 93 GLU H 3.050 . 4.310 4.376 4.064 4.555 0.245 20 0 "[ . 1 . 2]" 1
847 1 80 VAL HA 1 94 LYS HA 2.480 . 3.160 2.592 2.140 3.193 0.033 20 0 "[ . 1 . 2]" 1
848 1 80 VAL HA 1 95 LEU H 2.400 . 3.010 2.498 2.012 2.976 . 0 0 "[ . 1 . 2]" 1
849 1 80 VAL HA 1 95 LEU HB2 3.320 . 4.850 3.397 2.357 4.131 . 0 0 "[ . 1 . 2]" 1
850 1 80 VAL HA 1 95 LEU HB3 3.630 . 5.460 4.753 3.167 5.603 0.143 12 0 "[ . 1 . 2]" 1
851 1 80 VAL HA 1 95 LEU HG 3.470 . 5.140 5.191 4.962 5.382 0.242 19 0 "[ . 1 . 2]" 1
852 1 80 VAL HB 1 81 SER H 2.350 . 2.900 2.534 1.988 2.827 . 0 0 "[ . 1 . 2]" 1
853 1 80 VAL HB 1 92 VAL HA 3.110 . 4.420 4.186 3.913 4.392 . 0 0 "[ . 1 . 2]" 1
854 1 80 VAL HB 1 92 VAL HB 2.440 . 3.080 2.013 1.732 2.444 0.068 2 0 "[ . 1 . 2]" 1
855 1 80 VAL HB 1 92 VAL MG1 3.880 . 5.970 3.420 2.909 3.919 . 0 0 "[ . 1 . 2]" 1
856 1 80 VAL HB 1 92 VAL MG2 4.050 . 6.300 2.953 2.772 3.272 . 0 0 "[ . 1 . 2]" 1
857 1 80 VAL HB 1 93 GLU H 2.620 . 3.440 3.083 2.695 3.470 0.030 2 0 "[ . 1 . 2]" 1
858 1 80 VAL MG1 1 81 SER H 3.160 . 4.530 3.644 3.523 3.759 . 0 0 "[ . 1 . 2]" 1
859 1 80 VAL MG1 1 92 VAL HB 3.630 . 5.470 3.281 2.839 3.561 . 0 0 "[ . 1 . 2]" 1
860 1 80 VAL MG1 1 94 LYS HA 3.130 . 4.460 2.270 1.720 3.063 0.080 19 0 "[ . 1 . 2]" 1
861 1 80 VAL MG1 1 95 LEU H 3.430 . 5.070 3.514 2.981 4.171 . 0 0 "[ . 1 . 2]" 1
862 1 80 VAL MG2 1 81 SER H 3.360 . 4.930 3.580 3.054 3.784 . 0 0 "[ . 1 . 2]" 1
863 1 80 VAL MG2 1 92 VAL HB 3.350 . 4.900 2.662 2.386 3.010 . 0 0 "[ . 1 . 2]" 1
864 1 80 VAL MG2 1 92 VAL MG1 3.890 . 5.990 2.532 2.313 2.776 . 0 0 "[ . 1 . 2]" 1
865 1 80 VAL MG2 1 92 VAL MG2 4.450 . 7.100 2.432 2.128 3.054 . 0 0 "[ . 1 . 2]" 1
866 1 80 VAL MG2 1 93 GLU H 3.780 . 5.760 4.348 3.872 4.773 . 0 0 "[ . 1 . 2]" 1
867 1 81 SER H 1 82 VAL H 3.110 . 4.420 4.435 4.383 4.484 0.064 15 0 "[ . 1 . 2]" 1
868 1 81 SER H 1 92 VAL HB 2.760 . 3.730 3.500 3.184 3.783 0.053 15 0 "[ . 1 . 2]" 1
869 1 81 SER H 1 92 VAL MG1 3.870 . 5.940 4.489 4.160 4.761 . 0 0 "[ . 1 . 2]" 1
870 1 81 SER H 1 93 GLU H 2.490 . 3.190 2.716 2.454 2.942 . 0 0 "[ . 1 . 2]" 1
871 1 81 SER H 1 94 LYS HA 3.020 . 4.240 3.921 3.470 4.376 0.136 20 0 "[ . 1 . 2]" 1
872 1 81 SER H 1 95 LEU H 2.890 . 3.980 4.022 3.846 4.095 0.115 15 0 "[ . 1 . 2]" 1
873 1 81 SER H 1 95 LEU HB2 3.680 . 5.570 4.482 3.240 5.598 0.028 12 0 "[ . 1 . 2]" 1
874 1 81 SER H 1 95 LEU QD 4.710 . 7.630 3.375 2.612 4.272 . 0 0 "[ . 1 . 2]" 1
875 1 81 SER HA 1 82 VAL H 2.220 . 2.650 2.181 2.154 2.210 . 0 0 "[ . 1 . 2]" 1
876 1 81 SER HA 1 92 VAL MG1 4.080 . 6.370 4.584 4.207 4.790 . 0 0 "[ . 1 . 2]" 1
877 1 81 SER QB 1 92 VAL MG2 4.850 . 7.900 5.919 5.719 6.130 . 0 0 "[ . 1 . 2]" 1
878 1 81 SER QB 1 93 GLU H 4.120 . 6.450 3.563 3.103 4.079 . 0 0 "[ . 1 . 2]" 1
879 1 81 SER QB 1 93 GLU QG 4.220 . 6.650 3.788 1.738 5.635 0.052 7 0 "[ . 1 . 2]" 1
880 1 81 SER QB 1 95 LEU HB2 4.090 . 6.380 4.967 2.607 6.425 0.045 1 0 "[ . 1 . 2]" 1
881 1 81 SER QB 1 95 LEU MD1 4.330 . 6.860 3.767 2.268 5.853 . 0 0 "[ . 1 . 2]" 1
882 1 81 SER QB 1 95 LEU MD2 4.330 . 6.860 3.992 1.780 5.888 0.020 2 0 "[ . 1 . 2]" 1
883 1 81 SER QB 1 95 LEU HG 3.760 . 5.730 4.792 2.794 5.833 0.103 14 0 "[ . 1 . 2]" 1
884 1 82 VAL H 1 82 VAL HB 2.390 . 2.980 2.572 2.544 2.601 . 0 0 "[ . 1 . 2]" 1
885 1 82 VAL H 1 82 VAL MG2 2.730 . 3.670 2.102 1.995 2.213 . 0 0 "[ . 1 . 2]" 1
886 1 82 VAL HA 1 83 LYS H 2.300 . 2.800 2.140 2.104 2.190 . 0 0 "[ . 1 . 2]" 1
887 1 82 VAL HA 1 84 ALA H 2.850 . 3.910 3.877 3.678 3.994 0.084 5 0 "[ . 1 . 2]" 1
888 1 82 VAL HA 1 92 VAL HA 2.490 . 3.190 2.594 2.268 2.752 . 0 0 "[ . 1 . 2]" 1
889 1 82 VAL HA 1 92 VAL HB 3.570 . 5.350 3.592 3.415 4.011 . 0 0 "[ . 1 . 2]" 1
890 1 82 VAL HA 1 92 VAL MG1 3.110 . 4.430 1.814 1.702 2.194 0.088 10 0 "[ . 1 . 2]" 1
891 1 82 VAL HA 1 93 GLU H 2.910 . 4.020 4.058 3.912 4.158 0.138 13 0 "[ . 1 . 2]" 1
892 1 82 VAL MG1 1 83 LYS H 3.200 . 4.610 3.005 2.765 3.148 . 0 0 "[ . 1 . 2]" 1
893 1 82 VAL MG1 1 84 ALA H 2.880 . 3.960 2.976 2.748 3.311 . 0 0 "[ . 1 . 2]" 1
894 1 82 VAL MG1 1 90 LEU HA 4.410 . 7.020 3.891 3.574 4.151 . 0 0 "[ . 1 . 2]" 1
895 1 82 VAL MG1 1 90 LEU HB2 3.650 . 5.510 3.632 3.327 4.162 . 0 0 "[ . 1 . 2]" 1
896 1 82 VAL MG1 1 90 LEU HB3 3.510 . 5.220 2.230 1.949 2.648 . 0 0 "[ . 1 . 2]" 1
897 1 82 VAL MG1 1 90 LEU MD1 4.270 . 6.740 2.418 1.990 2.831 . 0 0 "[ . 1 . 2]" 1
898 1 82 VAL MG1 1 90 LEU MD2 4.230 . 6.670 2.655 2.204 3.186 . 0 0 "[ . 1 . 2]" 1
899 1 82 VAL MG1 1 91 VAL H 4.060 . 6.330 3.464 3.071 3.779 . 0 0 "[ . 1 . 2]" 1
900 1 82 VAL MG2 1 83 LYS H 3.350 . 4.900 4.198 4.094 4.253 . 0 0 "[ . 1 . 2]" 1
901 1 82 VAL MG2 1 90 LEU MD1 4.030 . 6.270 2.437 2.064 2.904 . 0 0 "[ . 1 . 2]" 1
902 1 82 VAL MG2 1 90 LEU MD2 4.480 . 7.170 3.895 3.582 4.348 . 0 0 "[ . 1 . 2]" 1
903 1 83 LYS H 1 83 LYS HB2 2.570 . 3.340 2.305 2.078 2.582 . 0 0 "[ . 1 . 2]" 1
904 1 83 LYS H 1 83 LYS HB3 2.570 . 3.340 3.330 2.598 3.596 0.256 20 0 "[ . 1 . 2]" 1
905 1 83 LYS H 1 83 LYS HG2 3.410 . 5.030 3.637 2.525 4.674 . 0 0 "[ . 1 . 2]" 1
906 1 83 LYS H 1 83 LYS QG 3.140 . 4.480 3.137 2.490 4.084 . 0 0 "[ . 1 . 2]" 1
907 1 83 LYS H 1 83 LYS HG3 3.410 . 5.030 3.784 2.725 4.514 . 0 0 "[ . 1 . 2]" 1
908 1 83 LYS H 1 84 ALA H 2.300 . 2.800 2.335 2.089 2.545 . 0 0 "[ . 1 . 2]" 1
909 1 83 LYS H 1 84 ALA MB 4.410 . 7.020 4.512 4.227 4.720 . 0 0 "[ . 1 . 2]" 1
910 1 83 LYS H 1 91 VAL MG1 4.410 . 7.020 4.008 3.808 4.339 . 0 0 "[ . 1 . 2]" 1
911 1 83 LYS H 1 92 VAL H 3.430 . 5.060 4.727 4.515 5.090 0.030 12 0 "[ . 1 . 2]" 1
912 1 83 LYS H 1 92 VAL HA 2.490 . 3.190 2.501 2.059 2.842 . 0 0 "[ . 1 . 2]" 1
913 1 83 LYS H 1 92 VAL MG1 3.720 . 5.650 3.275 3.002 3.700 . 0 0 "[ . 1 . 2]" 1
914 1 83 LYS H 1 93 GLU H 3.120 . 4.450 4.143 3.504 4.453 0.003 13 0 "[ . 1 . 2]" 1
915 1 83 LYS HA 1 83 LYS HD2 3.110 . 4.420 3.655 1.912 4.597 0.177 5 0 "[ . 1 . 2]" 1
916 1 83 LYS HA 1 83 LYS QD 2.810 . 3.830 2.911 1.852 4.015 0.185 11 0 "[ . 1 . 2]" 1
917 1 83 LYS HA 1 83 LYS HD3 3.110 . 4.420 3.206 1.868 4.627 0.207 3 0 "[ . 1 . 2]" 1
918 1 83 LYS HA 1 83 LYS HG2 3.020 . 4.240 2.741 2.246 3.724 . 0 0 "[ . 1 . 2]" 1
919 1 83 LYS HA 1 83 LYS QG 2.890 . 3.980 2.516 2.176 2.942 . 0 0 "[ . 1 . 2]" 1
920 1 83 LYS HA 1 83 LYS HG3 3.020 . 4.240 3.175 2.335 3.733 . 0 0 "[ . 1 . 2]" 1
921 1 83 LYS QB 1 83 LYS QD 2.260 . 2.730 2.185 2.081 2.347 . 0 0 "[ . 1 . 2]" 1
922 1 83 LYS QB 1 83 LYS QE 3.970 . 6.140 3.669 3.524 3.853 . 0 0 "[ . 1 . 2]" 1
923 1 83 LYS QB 1 92 VAL HA 3.560 . 5.330 3.497 2.865 3.985 . 0 0 "[ . 1 . 2]" 1
924 1 83 LYS HB2 1 83 LYS HD2 2.620 . 3.440 3.025 2.312 3.654 0.214 6 0 "[ . 1 . 2]" 1
925 1 83 LYS HB2 1 83 LYS HD3 2.620 . 3.440 3.359 2.392 3.739 0.299 15 0 "[ . 1 . 2]" 1
926 1 83 LYS HB2 1 84 ALA H 2.760 . 3.730 2.935 2.350 3.745 0.015 7 0 "[ . 1 . 2]" 1
927 1 83 LYS HB3 1 83 LYS HD2 2.620 . 3.440 2.736 2.321 3.696 0.256 7 0 "[ . 1 . 2]" 1
928 1 83 LYS HB3 1 83 LYS HD3 2.620 . 3.440 2.784 2.374 3.642 0.202 7 0 "[ . 1 . 2]" 1
929 1 83 LYS HB3 1 84 ALA H 2.760 . 3.730 3.210 2.503 3.766 0.036 20 0 "[ . 1 . 2]" 1
930 1 83 LYS QD 1 93 GLU QG 4.260 . 6.720 3.513 2.179 4.688 . 0 0 "[ . 1 . 2]" 1
931 1 83 LYS QG 1 92 VAL HA 3.870 . 5.940 4.076 3.002 5.372 . 0 0 "[ . 1 . 2]" 1
932 1 83 LYS QG 1 93 GLU H 3.800 . 5.800 4.222 3.276 5.626 . 0 0 "[ . 1 . 2]" 1
933 1 83 LYS QG 1 93 GLU QG 4.270 . 6.750 3.180 2.314 4.201 . 0 0 "[ . 1 . 2]" 1
934 1 84 ALA H 1 85 ILE H 3.320 . 4.850 4.410 4.381 4.453 . 0 0 "[ . 1 . 2]" 1
935 1 84 ALA H 1 91 VAL H 2.620 . 3.440 3.150 2.916 3.304 . 0 0 "[ . 1 . 2]" 1
936 1 84 ALA H 1 91 VAL HB 2.400 . 3.010 2.458 2.144 2.718 . 0 0 "[ . 1 . 2]" 1
937 1 84 ALA H 1 91 VAL MG1 3.360 . 4.930 3.634 3.409 3.869 . 0 0 "[ . 1 . 2]" 1
938 1 84 ALA H 1 91 VAL MG2 4.080 . 6.370 3.937 3.701 4.126 . 0 0 "[ . 1 . 2]" 1
939 1 84 ALA H 1 92 VAL MG1 3.870 . 5.940 4.372 4.152 4.691 . 0 0 "[ . 1 . 2]" 1
940 1 84 ALA HA 1 85 ILE H 2.280 . 2.760 2.496 2.307 2.632 . 0 0 "[ . 1 . 2]" 1
941 1 84 ALA MB 1 85 ILE H 2.680 . 3.560 2.197 1.994 2.560 . 0 0 "[ . 1 . 2]" 1
942 1 84 ALA MB 1 91 VAL H 3.880 . 5.970 3.807 3.362 4.142 . 0 0 "[ . 1 . 2]" 1
943 1 84 ALA MB 1 91 VAL HB 3.130 . 4.460 2.277 1.752 2.934 0.048 13 0 "[ . 1 . 2]" 1
944 1 84 ALA MB 1 91 VAL MG2 4.030 . 6.270 2.681 2.265 3.263 . 0 0 "[ . 1 . 2]" 1
945 1 85 ILE H 1 85 ILE HB 2.420 . 3.050 2.673 2.549 2.783 . 0 0 "[ . 1 . 2]" 1
946 1 85 ILE H 1 85 ILE MD 3.850 . 5.900 3.885 3.275 4.134 . 0 0 "[ . 1 . 2]" 1
947 1 85 ILE H 1 85 ILE HG12 2.820 . 3.840 3.620 2.314 3.909 0.069 17 0 "[ . 1 . 2]" 1
948 1 85 ILE H 1 85 ILE QG 2.610 . 3.420 2.586 2.296 2.769 . 0 0 "[ . 1 . 2]" 1
949 1 85 ILE H 1 85 ILE HG13 2.820 . 3.840 2.850 2.433 3.922 0.082 19 0 "[ . 1 . 2]" 1
950 1 85 ILE H 1 85 ILE MG 3.200 . 4.610 3.878 3.825 3.936 . 0 0 "[ . 1 . 2]" 1
951 1 85 ILE H 1 86 GLU H 3.320 . 4.850 4.441 4.310 4.519 . 0 0 "[ . 1 . 2]" 1
952 1 85 ILE HA 1 85 ILE HG12 2.870 . 3.950 2.687 2.512 3.304 . 0 0 "[ . 1 . 2]" 1
953 1 85 ILE HA 1 85 ILE HG13 2.870 . 3.950 3.225 3.038 3.876 . 0 0 "[ . 1 . 2]" 1
954 1 85 ILE HA 1 86 GLU H 2.240 . 2.690 2.208 2.170 2.233 . 0 0 "[ . 1 . 2]" 1
955 1 85 ILE HA 1 90 LEU MD2 3.810 . 5.830 2.689 2.164 3.342 . 0 0 "[ . 1 . 2]" 1
956 1 85 ILE HB 1 86 GLU H 2.930 . 4.060 4.076 3.931 4.178 0.118 17 0 "[ . 1 . 2]" 1
957 1 85 ILE HB 1 90 LEU MD2 4.410 . 7.020 4.247 3.945 4.949 . 0 0 "[ . 1 . 2]" 1
958 1 85 ILE MD 1 86 GLU H 4.030 . 6.260 4.900 3.922 5.276 . 0 0 "[ . 1 . 2]" 1
959 1 85 ILE MD 1 90 LEU MD2 4.070 . 6.350 2.839 1.784 3.565 0.006 4 0 "[ . 1 . 2]" 1
960 1 85 ILE QG 1 86 GLU H 3.590 . 5.380 4.284 4.101 4.849 . 0 0 "[ . 1 . 2]" 1
961 1 85 ILE QG 1 90 LEU MD2 3.540 . 5.280 2.290 1.779 3.783 0.021 8 0 "[ . 1 . 2]" 1
962 1 85 ILE HG12 1 86 GLU H 3.750 . 5.710 4.576 4.336 5.292 . 0 0 "[ . 1 . 2]" 1
963 1 85 ILE HG12 1 90 LEU MD2 3.720 . 5.650 2.388 1.787 4.303 0.003 8 0 "[ . 1 . 2]" 1
964 1 85 ILE HG13 1 86 GLU H 3.750 . 5.710 5.173 5.045 5.629 . 0 0 "[ . 1 . 2]" 1
965 1 85 ILE HG13 1 90 LEU MD2 3.720 . 5.650 3.551 3.230 4.194 . 0 0 "[ . 1 . 2]" 1
966 1 85 ILE MG 1 86 GLU H 2.860 . 3.920 2.539 2.340 2.770 . 0 0 "[ . 1 . 2]" 1
967 1 85 ILE MG 1 86 GLU HA 3.740 . 5.690 3.656 3.427 4.172 . 0 0 "[ . 1 . 2]" 1
968 1 85 ILE MG 1 87 GLY H 3.990 . 6.190 2.826 1.567 3.721 0.223 15 0 "[ . 1 . 2]" 1
969 1 85 ILE MG 1 89 LYS H 3.600 . 5.400 4.024 3.620 4.544 . 0 0 "[ . 1 . 2]" 1
970 1 85 ILE MG 1 90 LEU MD2 4.430 . 7.070 2.118 1.872 2.639 . 0 0 "[ . 1 . 2]" 1
971 1 86 GLU H 1 86 GLU HB2 2.670 . 3.550 3.169 2.733 3.776 0.226 17 0 "[ . 1 . 2]" 1
972 1 86 GLU H 1 86 GLU QB 2.590 . 3.380 2.644 2.495 3.122 . 0 0 "[ . 1 . 2]" 1
973 1 86 GLU H 1 86 GLU HB3 2.670 . 3.550 2.868 2.637 3.329 . 0 0 "[ . 1 . 2]" 1
974 1 86 GLU H 1 86 GLU QG 4.280 . 6.770 3.767 1.951 4.342 . 0 0 "[ . 1 . 2]" 1
975 1 86 GLU H 1 87 GLY QA 3.830 . 5.870 4.603 4.264 4.786 . 0 0 "[ . 1 . 2]" 1
976 1 86 GLU H 1 89 LYS H 2.840 . 3.880 3.714 3.555 3.903 0.023 13 0 "[ . 1 . 2]" 1
977 1 86 GLU H 1 91 VAL MG2 3.630 . 5.470 3.248 2.741 3.825 . 0 0 "[ . 1 . 2]" 1
978 1 86 GLU HA 1 87 GLY H 2.440 . 3.080 2.415 2.150 3.205 0.125 1 0 "[ . 1 . 2]" 1
979 1 86 GLU QB 1 91 VAL MG2 3.350 . 4.900 2.288 1.880 3.555 . 0 0 "[ . 1 . 2]" 1
980 1 86 GLU HB2 1 91 VAL MG2 3.540 . 5.290 2.631 1.893 4.714 . 0 0 "[ . 1 . 2]" 1
981 1 86 GLU HB3 1 91 VAL MG2 3.540 . 5.290 2.952 2.181 3.678 . 0 0 "[ . 1 . 2]" 1
982 1 86 GLU QG 1 87 GLY H 4.340 . 6.880 3.811 3.189 4.535 . 0 0 "[ . 1 . 2]" 1
983 1 86 GLU QG 1 91 VAL MG2 4.360 . 6.930 3.390 2.356 4.141 . 0 0 "[ . 1 . 2]" 1
984 1 87 GLY QA 1 88 VAL H 2.360 . 2.930 2.111 2.093 2.137 . 0 0 "[ . 1 . 2]" 1
985 1 87 GLY QA 1 89 LYS H 3.280 . 4.760 3.235 3.103 3.490 . 0 0 "[ . 1 . 2]" 1
986 1 87 GLY HA2 1 88 VAL H 2.510 . 3.230 3.325 3.256 3.417 0.187 4 0 "[ . 1 . 2]" 1
987 1 87 GLY HA3 1 88 VAL H 2.510 . 3.230 2.135 2.116 2.159 . 0 0 "[ . 1 . 2]" 1
988 1 88 VAL H 1 88 VAL MG1 3.200 . 4.610 2.879 2.014 3.922 . 0 0 "[ . 1 . 2]" 1
989 1 88 VAL H 1 88 VAL QG 2.920 . 4.040 2.074 1.867 2.479 . 0 0 "[ . 1 . 2]" 1
990 1 88 VAL H 1 88 VAL MG2 3.200 . 4.610 2.638 1.912 3.878 . 0 0 "[ . 1 . 2]" 1
991 1 88 VAL H 1 89 LYS H 2.390 . 2.980 2.256 2.047 2.478 . 0 0 "[ . 1 . 2]" 1
992 1 88 VAL HA 1 88 VAL HB 2.370 . 2.940 2.683 2.453 3.038 0.098 10 0 "[ . 1 . 2]" 1
993 1 88 VAL HA 1 89 LYS H 2.550 . 3.300 3.250 3.148 3.411 0.111 4 0 "[ . 1 . 2]" 1
994 1 88 VAL HB 1 89 LYS H 3.120 . 4.450 4.077 3.555 4.422 . 0 0 "[ . 1 . 2]" 1
995 1 88 VAL QG 1 89 LYS H 3.750 . 5.710 3.210 2.640 3.691 . 0 0 "[ . 1 . 2]" 1
996 1 88 VAL QG 1 89 LYS QE 5.460 . 9.130 4.381 3.100 5.668 . 0 0 "[ . 1 . 2]" 1
997 1 88 VAL MG1 1 89 LYS H 4.410 . 7.020 3.842 2.675 4.285 . 0 0 "[ . 1 . 2]" 1
998 1 88 VAL MG2 1 89 LYS H 4.410 . 7.020 3.742 2.843 4.289 . 0 0 "[ . 1 . 2]" 1
999 1 89 LYS H 1 89 LYS HB2 2.750 . 3.700 2.772 2.432 3.815 0.115 8 0 "[ . 1 . 2]" 1
1000 1 89 LYS H 1 89 LYS QB 2.540 . 3.290 2.627 2.399 3.115 . 0 0 "[ . 1 . 2]" 1
1001 1 89 LYS H 1 89 LYS HB3 2.750 . 3.700 3.662 3.138 3.816 0.116 4 0 "[ . 1 . 2]" 1
1002 1 89 LYS H 1 89 LYS QE 4.340 . 6.880 3.914 3.137 4.762 . 0 0 "[ . 1 . 2]" 1
1003 1 89 LYS H 1 89 LYS HG2 3.120 . 4.450 3.651 2.134 4.186 . 0 0 "[ . 1 . 2]" 1
1004 1 89 LYS H 1 89 LYS QG 2.890 . 3.980 2.548 1.894 3.066 . 0 0 "[ . 1 . 2]" 1
1005 1 89 LYS H 1 89 LYS HG3 3.120 . 4.450 2.682 1.901 3.153 . 0 0 "[ . 1 . 2]" 1
1006 1 89 LYS HA 1 89 LYS HG2 2.890 . 3.980 2.846 2.477 4.161 0.181 9 0 "[ . 1 . 2]" 1
1007 1 89 LYS HA 1 89 LYS QG 2.770 . 3.740 2.652 2.353 3.380 . 0 0 "[ . 1 . 2]" 1
1008 1 89 LYS HA 1 89 LYS HG3 2.890 . 3.980 3.249 2.933 3.839 . 0 0 "[ . 1 . 2]" 1
1009 1 89 LYS HA 1 90 LEU H 2.310 . 2.830 2.340 2.212 2.600 . 0 0 "[ . 1 . 2]" 1
1010 1 89 LYS QB 1 89 LYS QD 2.650 . 3.510 2.318 2.111 2.418 . 0 0 "[ . 1 . 2]" 1
1011 1 89 LYS QB 1 89 LYS QE 4.100 . 6.410 2.138 1.750 3.645 0.040 6 0 "[ . 1 . 2]" 1
1012 1 89 LYS QB 1 90 LEU H 2.680 . 3.560 2.591 2.095 2.989 . 0 0 "[ . 1 . 2]" 1
1013 1 89 LYS HB2 1 89 LYS QE 4.250 . 6.700 2.273 1.765 3.971 0.035 6 0 "[ . 1 . 2]" 1
1014 1 89 LYS HB2 1 90 LEU H 2.850 . 3.910 3.536 2.301 3.960 0.050 13 0 "[ . 1 . 2]" 1
1015 1 89 LYS HB3 1 89 LYS QE 4.250 . 6.700 2.978 2.033 4.254 . 0 0 "[ . 1 . 2]" 1
1016 1 89 LYS HB3 1 90 LEU H 2.850 . 3.910 2.828 2.123 3.929 0.019 8 0 "[ . 1 . 2]" 1
1017 1 89 LYS QE 1 91 VAL MG2 4.850 . 7.900 4.883 4.115 6.715 . 0 0 "[ . 1 . 2]" 1
1018 1 89 LYS QG 1 90 LEU H 3.960 . 6.120 4.038 3.622 4.433 . 0 0 "[ . 1 . 2]" 1
1019 1 90 LEU H 1 90 LEU HB2 2.570 . 3.340 2.582 2.453 2.682 . 0 0 "[ . 1 . 2]" 1
1020 1 90 LEU H 1 90 LEU HB3 2.820 . 3.840 3.723 3.656 3.795 . 0 0 "[ . 1 . 2]" 1
1021 1 90 LEU H 1 90 LEU MD1 3.780 . 5.760 3.923 3.769 4.088 . 0 0 "[ . 1 . 2]" 1
1022 1 90 LEU H 1 90 LEU MD2 3.630 . 5.470 3.480 3.096 3.691 . 0 0 "[ . 1 . 2]" 1
1023 1 90 LEU H 1 90 LEU HG 2.490 . 3.190 2.663 2.314 2.956 . 0 0 "[ . 1 . 2]" 1
1024 1 90 LEU HA 1 90 LEU MD1 4.410 . 7.020 3.867 3.850 3.898 . 0 0 "[ . 1 . 2]" 1
1025 1 90 LEU HA 1 90 LEU MD2 3.070 . 4.350 2.072 1.976 2.156 . 0 0 "[ . 1 . 2]" 1
1026 1 90 LEU HA 1 91 VAL H 2.300 . 2.800 2.226 2.188 2.273 . 0 0 "[ . 1 . 2]" 1
1027 1 90 LEU HA 1 92 VAL MG2 4.410 . 7.020 5.771 5.522 6.057 . 0 0 "[ . 1 . 2]" 1
1028 1 90 LEU HB2 1 90 LEU HG 2.100 . 2.400 2.435 2.402 2.463 0.063 5 0 "[ . 1 . 2]" 1
1029 1 90 LEU HB2 1 91 VAL H 2.780 . 3.770 3.880 3.812 3.953 0.183 6 0 "[ . 1 . 2]" 1
1030 1 90 LEU HB2 1 92 VAL MG1 3.380 . 4.970 2.571 2.337 2.940 . 0 0 "[ . 1 . 2]" 1
1031 1 90 LEU HB3 1 91 VAL H 2.690 . 3.590 2.857 2.743 3.009 . 0 0 "[ . 1 . 2]" 1
1032 1 90 LEU HB3 1 92 VAL MG1 3.380 . 4.970 2.691 2.469 2.894 . 0 0 "[ . 1 . 2]" 1
1033 1 90 LEU MD1 1 91 VAL H 4.410 . 7.020 4.731 4.627 4.870 . 0 0 "[ . 1 . 2]" 1
1034 1 90 LEU MD1 1 92 VAL MG1 4.180 . 6.560 3.120 2.886 3.322 . 0 0 "[ . 1 . 2]" 1
1035 1 90 LEU MD2 1 91 VAL H 3.560 . 5.330 3.619 3.359 3.801 . 0 0 "[ . 1 . 2]" 1
1036 1 91 VAL H 1 91 VAL HB 2.490 . 3.190 2.560 2.537 2.602 . 0 0 "[ . 1 . 2]" 1
1037 1 91 VAL H 1 91 VAL MG2 2.840 . 3.890 2.385 2.276 2.498 . 0 0 "[ . 1 . 2]" 1
1038 1 91 VAL HA 1 92 VAL H 2.190 . 2.580 2.170 2.153 2.190 . 0 0 "[ . 1 . 2]" 1
1039 1 91 VAL HA 1 92 VAL MG1 4.410 . 7.020 3.779 3.686 3.880 . 0 0 "[ . 1 . 2]" 1
1040 1 91 VAL HA 1 92 VAL MG2 4.260 . 6.730 3.751 3.615 3.877 . 0 0 "[ . 1 . 2]" 1
1041 1 91 VAL MG1 1 92 VAL H 3.060 . 4.320 3.123 2.971 3.267 . 0 0 "[ . 1 . 2]" 1
1042 1 91 VAL MG2 1 92 VAL H 3.580 . 5.360 4.227 4.185 4.278 . 0 0 "[ . 1 . 2]" 1
1043 1 92 VAL H 1 92 VAL MG1 3.250 . 4.710 2.850 2.663 2.941 . 0 0 "[ . 1 . 2]" 1
1044 1 92 VAL H 1 92 VAL MG2 2.700 . 3.600 2.119 2.016 2.207 . 0 0 "[ . 1 . 2]" 1
1045 1 92 VAL HA 1 92 VAL HB 2.390 . 2.980 2.471 2.442 2.507 . 0 0 "[ . 1 . 2]" 1
1046 1 92 VAL HA 1 93 GLU H 2.280 . 2.760 2.320 2.203 2.404 . 0 0 "[ . 1 . 2]" 1
1047 1 92 VAL HB 1 93 GLU H 2.400 . 3.010 2.523 2.307 2.776 . 0 0 "[ . 1 . 2]" 1
1048 1 92 VAL MG1 1 93 GLU H 3.240 . 4.680 3.684 3.582 3.787 . 0 0 "[ . 1 . 2]" 1
1049 1 92 VAL MG2 1 93 GLU H 3.150 . 4.500 3.529 3.317 3.773 . 0 0 "[ . 1 . 2]" 1
1050 1 93 GLU H 1 93 GLU HB2 2.960 . 4.130 3.280 2.585 3.989 . 0 0 "[ . 1 . 2]" 1
1051 1 93 GLU H 1 93 GLU QB 2.790 . 3.780 2.924 2.542 3.315 . 0 0 "[ . 1 . 2]" 1
1052 1 93 GLU H 1 93 GLU HB3 2.960 . 4.130 3.617 2.976 3.881 . 0 0 "[ . 1 . 2]" 1
1053 1 93 GLU H 1 93 GLU QG 3.560 . 5.330 2.658 2.095 3.330 . 0 0 "[ . 1 . 2]" 1
1054 1 93 GLU H 1 94 LYS H 3.470 . 5.140 4.445 4.387 4.516 . 0 0 "[ . 1 . 2]" 1
1055 1 93 GLU HA 1 94 LYS H 2.260 . 2.720 2.422 2.315 2.625 . 0 0 "[ . 1 . 2]" 1
1056 1 93 GLU QB 1 94 LYS H 2.460 . 3.120 2.389 2.153 2.739 . 0 0 "[ . 1 . 2]" 1
1057 1 93 GLU HB2 1 94 LYS H 2.660 . 3.520 2.999 2.168 3.701 0.181 1 0 "[ . 1 . 2]" 1
1058 1 93 GLU HB3 1 94 LYS H 2.660 . 3.520 3.060 2.254 3.697 0.177 18 0 "[ . 1 . 2]" 1
1059 1 93 GLU QG 1 94 LYS H 3.850 . 5.910 3.850 3.111 4.251 . 0 0 "[ . 1 . 2]" 1
1060 1 94 LYS H 1 94 LYS HB2 2.390 . 2.980 2.531 2.035 2.816 . 0 0 "[ . 1 . 2]" 1
1061 1 94 LYS H 1 94 LYS HB3 2.390 . 2.980 2.583 2.344 3.121 0.141 20 0 "[ . 1 . 2]" 1
1062 1 94 LYS H 1 94 LYS QD 4.070 . 6.340 4.432 4.253 4.577 . 0 0 "[ . 1 . 2]" 1
1063 1 94 LYS H 1 94 LYS QG 3.420 . 5.050 3.963 3.569 4.047 . 0 0 "[ . 1 . 2]" 1
1064 1 94 LYS HA 1 95 LEU H 2.220 . 2.650 2.163 2.075 2.247 . 0 0 "[ . 1 . 2]" 1
1065 1 94 LYS HB2 1 94 LYS QD 2.540 . 3.280 2.546 2.370 3.328 0.048 20 0 "[ . 1 . 2]" 1
1066 1 94 LYS HB2 1 95 LEU H 3.020 . 4.240 4.190 3.942 4.457 0.217 20 0 "[ . 1 . 2]" 1
1067 1 94 LYS HB3 1 94 LYS QD 2.640 . 3.490 2.422 2.182 2.834 . 0 0 "[ . 1 . 2]" 1
1068 1 94 LYS HB3 1 94 LYS QE 3.940 . 6.090 3.614 2.029 4.201 . 0 0 "[ . 1 . 2]" 1
1069 1 94 LYS HB3 1 95 LEU H 2.890 . 3.980 4.026 3.684 4.211 0.231 3 0 "[ . 1 . 2]" 1
1070 1 94 LYS QG 1 95 LEU H 3.600 . 5.410 2.644 2.131 3.856 . 0 0 "[ . 1 . 2]" 1
1071 1 95 LEU H 1 95 LEU HB2 2.480 . 3.160 2.256 2.054 2.658 . 0 0 "[ . 1 . 2]" 1
1072 1 95 LEU H 1 95 LEU HB3 2.580 . 3.370 3.053 2.334 3.514 0.144 16 0 "[ . 1 . 2]" 1
1073 1 95 LEU H 1 95 LEU MD1 4.260 . 6.730 3.671 2.253 4.409 . 0 0 "[ . 1 . 2]" 1
1074 1 95 LEU H 1 95 LEU QD 3.890 . 5.990 3.113 2.240 3.766 . 0 0 "[ . 1 . 2]" 1
1075 1 95 LEU H 1 95 LEU MD2 4.260 . 6.730 3.787 2.560 4.369 . 0 0 "[ . 1 . 2]" 1
1076 1 95 LEU H 1 95 LEU HG 3.140 . 4.490 4.294 3.897 4.635 0.145 7 0 "[ . 1 . 2]" 1
1077 1 95 LEU HA 1 95 LEU MD1 3.340 . 4.890 2.446 1.819 3.701 . 0 0 "[ . 1 . 2]" 1
1078 1 95 LEU HA 1 95 LEU MD2 3.340 . 4.890 2.938 1.748 3.934 0.042 11 0 "[ . 1 . 2]" 1
1079 1 95 LEU HA 1 95 LEU HG 2.930 . 4.060 3.073 2.302 3.676 . 0 0 "[ . 1 . 2]" 1
1080 1 95 LEU HA 1 96 GLU H 2.220 . 2.650 2.297 2.143 2.635 . 0 0 "[ . 1 . 2]" 1
1081 1 95 LEU HB2 1 96 GLU H 2.940 . 4.090 4.106 3.630 4.287 0.197 2 0 "[ . 1 . 2]" 1
1082 1 95 LEU HB3 1 95 LEU HG 2.170 . 2.540 2.523 2.383 3.004 0.464 6 0 "[ . 1 . 2]" 1
1083 1 95 LEU HB3 1 96 GLU H 2.850 . 3.910 3.244 2.086 4.049 0.139 18 0 "[ . 1 . 2]" 1
1084 1 95 LEU MD1 1 96 GLU H 3.560 . 5.330 2.887 1.760 4.470 0.030 11 0 "[ . 1 . 2]" 1
1085 1 95 LEU MD2 1 96 GLU H 3.560 . 5.330 3.541 1.691 4.428 0.099 6 0 "[ . 1 . 2]" 1
1086 1 95 LEU HG 1 96 GLU H 3.090 . 4.380 3.587 1.768 4.431 0.051 7 0 "[ . 1 . 2]" 1
1087 1 96 GLU H 1 96 GLU HB2 2.710 . 3.620 3.003 2.276 3.688 0.068 1 0 "[ . 1 . 2]" 1
1088 1 96 GLU H 1 96 GLU QB 2.560 . 3.330 2.607 2.247 3.046 . 0 0 "[ . 1 . 2]" 1
1089 1 96 GLU H 1 96 GLU HB3 2.710 . 3.620 3.097 2.438 3.722 0.102 6 0 "[ . 1 . 2]" 1
1090 1 96 GLU H 1 96 GLU HG2 3.470 . 5.140 3.857 1.803 5.306 0.166 12 0 "[ . 1 . 2]" 1
1091 1 96 GLU H 1 96 GLU QG 3.300 . 4.810 3.277 1.732 4.445 0.058 11 0 "[ . 1 . 2]" 1
1092 1 96 GLU H 1 96 GLU HG3 3.470 . 5.140 3.828 1.737 4.789 0.063 11 0 "[ . 1 . 2]" 1
1093 1 96 GLU HA 1 97 GLU H 2.350 . 2.900 2.346 2.102 3.039 0.139 18 0 "[ . 1 . 2]" 1
1094 1 96 GLU QG 1 97 GLU H 3.890 . 5.980 3.824 2.343 4.682 . 0 0 "[ . 1 . 2]" 1
1095 1 97 GLU H 1 97 GLU HB2 2.660 . 3.520 2.687 2.095 3.641 0.121 12 0 "[ . 1 . 2]" 1
1096 1 97 GLU H 1 97 GLU QB 2.550 . 3.300 2.400 2.060 2.969 . 0 0 "[ . 1 . 2]" 1
1097 1 97 GLU H 1 97 GLU HB3 2.660 . 3.520 3.094 2.410 3.648 0.128 1 0 "[ . 1 . 2]" 1
1098 1 97 GLU H 1 97 GLU QG 3.910 . 6.020 3.332 1.739 4.216 0.061 14 0 "[ . 1 . 2]" 1
1099 1 97 GLU HA 1 98 GLN H 2.510 . 3.230 2.403 2.072 3.404 0.174 16 0 "[ . 1 . 2]" 1
1100 1 98 GLN H 1 98 GLN QG 4.340 . 6.880 2.918 1.827 4.143 . 0 0 "[ . 1 . 2]" 1
1101 1 99 LYS H 1 99 LYS QG 4.340 . 6.880 3.072 1.772 4.256 0.028 1 0 "[ . 1 . 2]" 1
1102 1 99 LYS HA 1 99 LYS QD 4.340 . 6.880 3.834 2.329 4.271 . 0 0 "[ . 1 . 2]" 1
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