NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
548871 |
2lw4   |
18605 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lw4
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 1309
_Distance_constraint_stats_list.Viol_count 723
_Distance_constraint_stats_list.Viol_total 1449.329
_Distance_constraint_stats_list.Viol_max 0.612
_Distance_constraint_stats_list.Viol_rms 0.0220
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0028
_Distance_constraint_stats_list.Viol_average_violations_only 0.1002
_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 3 MET 0.208 0.112 2 0 "[ . 1 . 2]"
1 4 PRO 0.300 0.112 2 0 "[ . 1 . 2]"
1 5 VAL 1.530 0.177 1 0 "[ . 1 . 2]"
1 6 PRO 3.659 0.308 17 0 "[ . 1 . 2]"
1 7 VAL 3.112 0.308 17 0 "[ . 1 . 2]"
1 8 THR 0.183 0.108 6 0 "[ . 1 . 2]"
1 9 CYS 2.230 0.325 5 0 "[ . 1 . 2]"
1 11 ALA 0.457 0.107 1 0 "[ . 1 . 2]"
1 12 VAL 2.421 0.325 5 0 "[ . 1 . 2]"
1 13 ARG 0.300 0.108 6 0 "[ . 1 . 2]"
1 14 ASN 1.331 0.187 17 0 "[ . 1 . 2]"
1 15 LYS 2.345 0.270 8 0 "[ . 1 . 2]"
1 16 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ARG 0.152 0.100 1 0 "[ . 1 . 2]"
1 18 GLU 1.429 0.187 17 0 "[ . 1 . 2]"
1 19 MET 1.215 0.135 1 0 "[ . 1 . 2]"
1 20 LEU 1.054 0.205 20 0 "[ . 1 . 2]"
1 21 THR 3.334 0.234 9 0 "[ . 1 . 2]"
1 22 ALA 0.051 0.038 15 0 "[ . 1 . 2]"
1 23 ALA 5.531 0.440 9 0 "[ . 1 . 2]"
1 24 LEU 2.902 0.234 9 0 "[ . 1 . 2]"
1 25 GLN 1.611 0.343 12 0 "[ . 1 . 2]"
1 26 THR 0.416 0.170 19 0 "[ . 1 . 2]"
1 27 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 HIS 3.817 0.343 12 0 "[ . 1 . 2]"
1 29 ASP 0.926 0.174 10 0 "[ . 1 . 2]"
1 30 HIS 0.419 0.094 11 0 "[ . 1 . 2]"
1 31 VAL 0.211 0.103 4 0 "[ . 1 . 2]"
1 32 ALA 0.152 0.152 12 0 "[ . 1 . 2]"
1 33 ILE 0.814 0.209 8 0 "[ . 1 . 2]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ALA 1.464 0.612 8 1 "[ . + 1 . 2]"
1 36 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 CYS 2.313 0.266 3 0 "[ . 1 . 2]"
1 38 GLU 1.817 0.280 17 0 "[ . 1 . 2]"
1 39 ARG 2.226 0.280 17 0 "[ . 1 . 2]"
1 40 LEU 2.898 0.266 3 0 "[ . 1 . 2]"
1 41 SER 0.486 0.100 1 0 "[ . 1 . 2]"
1 42 ALA 0.195 0.195 10 0 "[ . 1 . 2]"
1 43 GLN 1.122 0.195 10 0 "[ . 1 . 2]"
1 44 ILE 0.029 0.028 3 0 "[ . 1 . 2]"
1 45 GLU 0.792 0.158 8 0 "[ . 1 . 2]"
1 46 GLU 0.226 0.158 8 0 "[ . 1 . 2]"
1 47 CYS 0.051 0.037 12 0 "[ . 1 . 2]"
1 48 ILE 0.044 0.034 7 0 "[ . 1 . 2]"
1 49 PHE 1.700 0.203 10 0 "[ . 1 . 2]"
1 50 ARG 0.796 0.153 1 0 "[ . 1 . 2]"
1 51 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 VAL 8.079 0.441 20 0 "[ . 1 . 2]"
1 53 GLY 0.043 0.026 18 0 "[ . 1 . 2]"
1 54 ASN 1.535 0.258 20 0 "[ . 1 . 2]"
1 55 THR 0.183 0.077 18 0 "[ . 1 . 2]"
1 58 LYS 1.529 0.246 18 0 "[ . 1 . 2]"
1 59 TYR 4.208 0.441 20 0 "[ . 1 . 2]"
1 60 LYS 0.010 0.010 1 0 "[ . 1 . 2]"
1 61 ASN 1.223 0.250 17 0 "[ . 1 . 2]"
1 62 ARG 0.028 0.028 4 0 "[ . 1 . 2]"
1 63 VAL 0.478 0.112 16 0 "[ . 1 . 2]"
1 64 ARG 1.212 0.250 17 0 "[ . 1 . 2]"
1 65 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ILE 0.878 0.205 20 0 "[ . 1 . 2]"
1 68 SER 0.381 0.180 7 0 "[ . 1 . 2]"
1 69 ASN 1.355 0.436 8 0 "[ . 1 . 2]"
1 70 LEU 6.229 0.440 9 0 "[ . 1 . 2]"
1 71 LYS 1.057 0.212 9 0 "[ . 1 . 2]"
1 72 ASP 0.010 0.010 7 0 "[ . 1 . 2]"
1 73 ALA 0.812 0.245 9 0 "[ . 1 . 2]"
1 74 LYS 1.357 0.336 16 0 "[ . 1 . 2]"
1 75 ASN 0.552 0.181 6 0 "[ . 1 . 2]"
1 76 PRO 0.305 0.114 4 0 "[ . 1 . 2]"
1 77 ASP 0.667 0.139 7 0 "[ . 1 . 2]"
1 78 LEU 0.998 0.189 9 0 "[ . 1 . 2]"
1 79 ARG 0.097 0.049 20 0 "[ . 1 . 2]"
1 80 ARG 0.209 0.209 8 0 "[ . 1 . 2]"
1 81 ASN 0.139 0.139 7 0 "[ . 1 . 2]"
1 82 VAL 1.380 0.266 10 0 "[ . 1 . 2]"
1 83 LEU 2.880 0.612 8 1 "[ . + 1 . 2]"
1 84 CYS 0.195 0.079 13 0 "[ . 1 . 2]"
1 85 GLY 0.110 0.057 3 0 "[ . 1 . 2]"
1 86 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ILE 1.515 0.266 10 0 "[ . 1 . 2]"
1 88 THR 0.696 0.124 8 0 "[ . 1 . 2]"
1 89 PRO 0.427 0.124 8 0 "[ . 1 . 2]"
1 90 GLN 1.143 0.173 12 0 "[ . 1 . 2]"
1 91 GLN 0.328 0.102 8 0 "[ . 1 . 2]"
1 92 ILE 0.525 0.113 5 0 "[ . 1 . 2]"
1 93 ALA 0.142 0.039 3 0 "[ . 1 . 2]"
1 94 VAL 0.914 0.173 12 0 "[ . 1 . 2]"
1 95 MET 1.163 0.204 1 0 "[ . 1 . 2]"
1 96 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 SER 0.092 0.058 2 0 "[ . 1 . 2]"
1 98 GLU 0.238 0.105 4 0 "[ . 1 . 2]"
1 99 GLU 0.204 0.098 4 0 "[ . 1 . 2]"
1 100 MET 1.459 0.204 1 0 "[ . 1 . 2]"
1 101 ALA 0.483 0.181 6 0 "[ . 1 . 2]"
1 102 SER 0.544 0.184 15 0 "[ . 1 . 2]"
1 103 ASP 1.152 0.183 16 0 "[ . 1 . 2]"
1 104 GLU 0.498 0.184 15 0 "[ . 1 . 2]"
1 105 LEU 5.959 0.313 20 0 "[ . 1 . 2]"
1 106 LYS 5.759 0.366 12 0 "[ . 1 . 2]"
1 107 GLU 0.617 0.245 7 0 "[ . 1 . 2]"
1 108 ILE 1.841 0.220 13 0 "[ . 1 . 2]"
1 109 ARG 2.764 0.411 1 0 "[ . 1 . 2]"
1 110 LYS 0.742 0.458 17 0 "[ . 1 . 2]"
1 111 ALA 1.402 0.220 13 0 "[ . 1 . 2]"
1 112 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 THR 0.364 0.196 5 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 3 MET HA 1 4 PRO QD 3.210 . 3.210 2.088 1.935 2.470 . 0 0 "[ . 1 . 2]" 1
2 1 3 MET QB 1 4 PRO QD 3.540 . 3.540 2.803 1.894 3.652 0.112 2 0 "[ . 1 . 2]" 1
3 1 3 MET QG 1 4 PRO QD 4.590 . 4.590 3.502 2.454 4.012 . 0 0 "[ . 1 . 2]" 1
4 1 4 PRO HA 1 5 VAL H 2.920 . 2.920 2.338 2.153 2.720 . 0 0 "[ . 1 . 2]" 1
5 1 4 PRO HA 1 5 VAL QG 4.160 . 4.160 3.618 3.379 4.251 0.091 2 0 "[ . 1 . 2]" 1
6 1 4 PRO QB 1 5 VAL H 3.990 . 3.990 3.032 2.048 3.857 . 0 0 "[ . 1 . 2]" 1
7 1 4 PRO QB 1 5 VAL QG 5.280 . 5.280 3.968 2.845 4.813 . 0 0 "[ . 1 . 2]" 1
8 1 4 PRO HB2 1 5 VAL H 4.620 . 4.620 3.363 2.065 4.366 . 0 0 "[ . 1 . 2]" 1
9 1 4 PRO HB3 1 5 VAL H 4.620 . 4.620 3.657 2.831 4.389 . 0 0 "[ . 1 . 2]" 1
10 1 5 VAL H 1 5 VAL HB 3.650 . 3.650 3.024 2.481 3.682 0.032 1 0 "[ . 1 . 2]" 1
11 1 5 VAL H 1 5 VAL QG 3.560 . 3.560 2.001 1.919 2.193 . 0 0 "[ . 1 . 2]" 1
12 1 5 VAL HA 1 5 VAL QG 2.940 . 2.940 2.274 2.189 2.381 . 0 0 "[ . 1 . 2]" 1
13 1 5 VAL HA 1 6 PRO HD2 3.430 . 3.430 2.525 2.052 3.150 . 0 0 "[ . 1 . 2]" 1
14 1 5 VAL HA 1 6 PRO QD 2.970 . 2.970 2.026 1.754 2.259 . 0 0 "[ . 1 . 2]" 1
15 1 5 VAL HA 1 6 PRO HD3 3.430 . 3.430 2.283 1.767 2.690 . 0 0 "[ . 1 . 2]" 1
16 1 5 VAL HA 1 6 PRO HG2 4.850 . 4.850 4.492 4.258 4.760 . 0 0 "[ . 1 . 2]" 1
17 1 5 VAL HA 1 6 PRO QG 4.150 . 4.150 3.929 3.571 4.195 0.045 19 0 "[ . 1 . 2]" 1
18 1 5 VAL HA 1 6 PRO HG3 4.850 . 4.850 4.373 3.763 4.688 . 0 0 "[ . 1 . 2]" 1
19 1 5 VAL HB 1 6 PRO QD 4.410 . 4.410 3.486 2.086 4.436 0.026 3 0 "[ . 1 . 2]" 1
20 1 5 VAL QG 1 6 PRO HB2 5.740 . 5.740 4.925 4.232 5.655 . 0 0 "[ . 1 . 2]" 1
21 1 5 VAL QG 1 6 PRO HD2 3.800 . 3.800 2.887 2.195 3.902 0.102 1 0 "[ . 1 . 2]" 1
22 1 5 VAL QG 1 6 PRO HD3 3.800 . 3.800 3.540 2.922 3.846 0.046 3 0 "[ . 1 . 2]" 1
23 1 5 VAL QG 1 6 PRO QG 4.420 . 4.420 3.982 2.965 4.597 0.177 1 0 "[ . 1 . 2]" 1
24 1 5 VAL QG 1 42 ALA MB 4.080 . 4.080 2.401 1.741 3.865 . 0 0 "[ . 1 . 2]" 1
25 1 5 VAL QG 1 43 GLN HA 3.790 . 3.790 3.511 2.732 3.945 0.155 19 0 "[ . 1 . 2]" 1
26 1 5 VAL QG 1 43 GLN QE 6.100 . 6.100 4.184 1.879 6.042 . 0 0 "[ . 1 . 2]" 1
27 1 6 PRO HA 1 7 VAL H 3.200 . 3.200 2.320 2.167 2.684 . 0 0 "[ . 1 . 2]" 1
28 1 6 PRO HA 1 7 VAL MG1 3.970 . 3.970 3.706 3.333 3.917 . 0 0 "[ . 1 . 2]" 1
29 1 6 PRO HA 1 7 VAL MG2 3.730 . 3.730 3.728 3.012 3.918 0.188 2 0 "[ . 1 . 2]" 1
30 1 6 PRO HB2 1 7 VAL H 4.330 . 4.330 3.043 2.214 3.711 . 0 0 "[ . 1 . 2]" 1
31 1 6 PRO HB2 1 7 VAL MG2 4.510 . 4.510 4.161 3.490 4.818 0.308 17 0 "[ . 1 . 2]" 1
32 1 6 PRO HB3 1 7 VAL H 4.750 . 4.750 3.363 2.536 3.930 . 0 0 "[ . 1 . 2]" 1
33 1 6 PRO QG 1 7 VAL H 4.440 . 4.440 4.384 3.823 4.529 0.089 19 0 "[ . 1 . 2]" 1
34 1 7 VAL H 1 7 VAL HB 4.150 . 4.150 3.685 3.622 3.834 . 0 0 "[ . 1 . 2]" 1
35 1 7 VAL H 1 7 VAL MG1 4.020 . 4.020 2.587 2.309 3.339 . 0 0 "[ . 1 . 2]" 1
36 1 7 VAL H 1 7 VAL MG2 3.600 . 3.600 1.990 1.856 2.194 . 0 0 "[ . 1 . 2]" 1
37 1 7 VAL HA 1 7 VAL MG1 3.240 . 3.240 2.359 2.306 2.406 . 0 0 "[ . 1 . 2]" 1
38 1 7 VAL HA 1 7 VAL MG2 3.550 . 3.550 3.260 3.239 3.274 . 0 0 "[ . 1 . 2]" 1
39 1 7 VAL MG1 1 8 THR H 6.060 . 6.060 3.763 3.574 4.173 . 0 0 "[ . 1 . 2]" 1
40 1 7 VAL MG2 1 8 THR H 6.300 . 6.300 3.774 3.409 4.368 . 0 0 "[ . 1 . 2]" 1
41 1 8 THR HB 1 14 ASN QD 6.100 . 6.100 4.637 3.046 6.169 0.069 13 0 "[ . 1 . 2]" 1
42 1 8 THR MG 1 13 ARG QB 6.100 . 6.100 4.129 1.943 6.208 0.108 6 0 "[ . 1 . 2]" 1
43 1 8 THR MG 1 14 ASN HD21 4.900 . 4.900 3.362 2.050 4.765 . 0 0 "[ . 1 . 2]" 1
44 1 8 THR MG 1 14 ASN HD22 4.900 . 4.900 4.048 3.031 4.884 . 0 0 "[ . 1 . 2]" 1
45 1 9 CYS QB 1 12 VAL HB 5.510 . 5.510 5.067 3.346 5.668 0.158 10 0 "[ . 1 . 2]" 1
46 1 9 CYS QB 1 12 VAL MG2 5.580 . 5.580 5.430 4.182 5.905 0.325 5 0 "[ . 1 . 2]" 1
47 1 11 ALA HA 1 12 VAL MG2 5.160 . 5.160 4.936 4.521 5.098 . 0 0 "[ . 1 . 2]" 1
48 1 11 ALA HA 1 13 ARG H 6.300 . 6.300 4.723 4.256 5.437 . 0 0 "[ . 1 . 2]" 1
49 1 11 ALA HA 1 14 ASN H 4.350 . 4.350 3.700 3.190 4.330 . 0 0 "[ . 1 . 2]" 1
50 1 11 ALA HA 1 14 ASN HB2 4.410 . 4.410 3.647 2.595 4.453 0.043 18 0 "[ . 1 . 2]" 1
51 1 11 ALA HA 1 14 ASN HB3 4.410 . 4.410 2.772 1.907 3.225 . 0 0 "[ . 1 . 2]" 1
52 1 11 ALA HA 1 14 ASN QD 6.100 . 6.100 4.554 3.267 5.942 . 0 0 "[ . 1 . 2]" 1
53 1 11 ALA MB 1 12 VAL H 4.650 . 4.650 2.985 2.209 3.608 . 0 0 "[ . 1 . 2]" 1
54 1 11 ALA MB 1 12 VAL HA 5.270 . 5.270 4.027 3.674 4.253 . 0 0 "[ . 1 . 2]" 1
55 1 11 ALA MB 1 12 VAL MG2 4.830 . 4.830 3.556 2.599 4.109 . 0 0 "[ . 1 . 2]" 1
56 1 11 ALA MB 1 13 ARG H 5.890 . 5.890 5.051 4.695 5.430 . 0 0 "[ . 1 . 2]" 1
57 1 11 ALA MB 1 14 ASN H 5.090 . 5.090 4.820 4.422 5.197 0.107 1 0 "[ . 1 . 2]" 1
58 1 11 ALA MB 1 14 ASN HB2 6.300 . 6.300 4.973 4.121 5.739 . 0 0 "[ . 1 . 2]" 1
59 1 11 ALA MB 1 14 ASN QB 5.440 . 5.440 3.828 3.004 4.481 . 0 0 "[ . 1 . 2]" 1
60 1 11 ALA MB 1 14 ASN HB3 6.300 . 6.300 3.987 3.087 4.677 . 0 0 "[ . 1 . 2]" 1
61 1 11 ALA MB 1 15 LYS H 6.070 . 6.070 4.398 3.808 5.128 . 0 0 "[ . 1 . 2]" 1
62 1 12 VAL H 1 12 VAL HB 4.060 . 4.060 2.647 2.555 2.776 . 0 0 "[ . 1 . 2]" 1
63 1 12 VAL H 1 12 VAL MG2 3.920 . 3.920 2.013 1.885 2.159 . 0 0 "[ . 1 . 2]" 1
64 1 12 VAL H 1 13 ARG H 4.160 . 4.160 2.880 2.571 3.080 . 0 0 "[ . 1 . 2]" 1
65 1 12 VAL HA 1 12 VAL MG1 3.530 . 3.530 2.450 2.355 2.520 . 0 0 "[ . 1 . 2]" 1
66 1 12 VAL HA 1 12 VAL MG2 3.660 . 3.660 2.489 2.416 2.606 . 0 0 "[ . 1 . 2]" 1
67 1 12 VAL HA 1 15 LYS H 4.900 . 4.900 3.984 3.239 4.739 . 0 0 "[ . 1 . 2]" 1
68 1 12 VAL HA 1 15 LYS QB 6.100 . 6.100 3.176 2.353 4.007 . 0 0 "[ . 1 . 2]" 1
69 1 12 VAL HA 1 16 CYS H 6.270 . 6.270 4.493 3.970 5.179 . 0 0 "[ . 1 . 2]" 1
70 1 12 VAL HB 1 13 ARG H 4.390 . 4.390 2.348 2.144 2.667 . 0 0 "[ . 1 . 2]" 1
71 1 12 VAL HB 1 13 ARG HA 4.430 . 4.430 4.254 3.989 4.452 0.022 20 0 "[ . 1 . 2]" 1
72 1 12 VAL MG1 1 13 ARG H 3.990 . 3.990 3.302 2.993 3.668 . 0 0 "[ . 1 . 2]" 1
73 1 12 VAL MG1 1 13 ARG HA 3.750 . 3.750 3.457 3.040 3.842 0.092 14 0 "[ . 1 . 2]" 1
74 1 12 VAL MG1 1 55 THR HB 4.450 . 4.450 2.966 2.115 4.148 . 0 0 "[ . 1 . 2]" 1
75 1 12 VAL MG1 1 55 THR MG 4.640 . 4.640 2.656 1.667 4.101 . 0 0 "[ . 1 . 2]" 1
76 1 12 VAL MG1 1 59 TYR QE 3.910 . 3.910 2.386 1.817 3.732 . 0 0 "[ . 1 . 2]" 1
77 1 12 VAL MG1 1 60 LYS QE 3.990 . 3.990 2.611 1.869 3.689 . 0 0 "[ . 1 . 2]" 1
78 1 12 VAL MG2 1 13 ARG H 4.580 . 4.580 3.717 3.508 3.874 . 0 0 "[ . 1 . 2]" 1
79 1 12 VAL MG2 1 55 THR HB 5.390 . 5.390 3.953 2.797 5.354 . 0 0 "[ . 1 . 2]" 1
80 1 12 VAL MG2 1 55 THR MG 5.530 . 5.530 3.493 2.145 4.574 . 0 0 "[ . 1 . 2]" 1
81 1 12 VAL MG2 1 60 LYS QE 4.980 . 4.980 3.748 2.261 4.893 . 0 0 "[ . 1 . 2]" 1
82 1 13 ARG H 1 14 ASN H 3.800 . 3.800 2.666 2.543 2.827 . 0 0 "[ . 1 . 2]" 1
83 1 13 ARG HA 1 16 CYS H 5.070 . 5.070 3.494 2.760 4.038 . 0 0 "[ . 1 . 2]" 1
84 1 13 ARG HA 1 17 ARG H 5.730 . 5.730 4.227 3.688 5.248 . 0 0 "[ . 1 . 2]" 1
85 1 13 ARG HB2 1 14 ASN H 5.650 . 5.650 3.618 2.444 4.180 . 0 0 "[ . 1 . 2]" 1
86 1 13 ARG HB3 1 14 ASN H 5.650 . 5.650 3.202 2.363 4.195 . 0 0 "[ . 1 . 2]" 1
87 1 14 ASN H 1 14 ASN HB2 4.090 . 4.090 2.495 2.308 2.613 . 0 0 "[ . 1 . 2]" 1
88 1 14 ASN H 1 14 ASN QB 3.350 . 3.350 2.257 2.200 2.304 . 0 0 "[ . 1 . 2]" 1
89 1 14 ASN H 1 14 ASN HB3 4.090 . 4.090 2.597 2.467 2.813 . 0 0 "[ . 1 . 2]" 1
90 1 14 ASN H 1 15 LYS H 3.840 . 3.840 2.728 2.610 2.909 . 0 0 "[ . 1 . 2]" 1
91 1 14 ASN H 1 16 CYS H 4.610 . 4.610 4.161 3.916 4.488 . 0 0 "[ . 1 . 2]" 1
92 1 14 ASN HA 1 17 ARG H 5.060 . 5.060 3.708 3.357 4.279 . 0 0 "[ . 1 . 2]" 1
93 1 14 ASN HA 1 18 GLU H 4.400 . 4.400 4.344 4.000 4.587 0.187 17 0 "[ . 1 . 2]" 1
94 1 14 ASN QB 1 15 LYS H 3.870 . 3.870 2.548 2.292 2.810 . 0 0 "[ . 1 . 2]" 1
95 1 14 ASN HB2 1 15 LYS H 4.470 . 4.470 3.846 3.705 4.063 . 0 0 "[ . 1 . 2]" 1
96 1 14 ASN HB3 1 15 LYS H 4.470 . 4.470 2.588 2.314 2.865 . 0 0 "[ . 1 . 2]" 1
97 1 15 LYS H 1 15 LYS HB2 3.540 . 3.540 2.486 2.196 2.619 . 0 0 "[ . 1 . 2]" 1
98 1 15 LYS H 1 15 LYS QB 2.980 . 2.980 2.247 2.174 2.299 . 0 0 "[ . 1 . 2]" 1
99 1 15 LYS H 1 15 LYS HB3 3.540 . 3.540 2.603 2.467 3.494 . 0 0 "[ . 1 . 2]" 1
100 1 15 LYS H 1 15 LYS HG2 5.440 . 5.440 4.542 4.063 4.665 . 0 0 "[ . 1 . 2]" 1
101 1 15 LYS H 1 15 LYS QG 4.680 . 4.680 4.021 3.712 4.100 . 0 0 "[ . 1 . 2]" 1
102 1 15 LYS H 1 15 LYS HG3 5.440 . 5.440 4.487 4.293 4.563 . 0 0 "[ . 1 . 2]" 1
103 1 15 LYS H 1 16 CYS H 4.040 . 4.040 2.705 2.522 2.801 . 0 0 "[ . 1 . 2]" 1
104 1 15 LYS HA 1 15 LYS QD 3.800 . 3.800 3.264 2.046 4.070 0.270 8 0 "[ . 1 . 2]" 1
105 1 15 LYS HA 1 15 LYS QE 5.290 . 5.290 4.339 2.729 5.130 . 0 0 "[ . 1 . 2]" 1
106 1 15 LYS HA 1 18 GLU H 3.970 . 3.970 3.531 3.231 3.735 . 0 0 "[ . 1 . 2]" 1
107 1 15 LYS HA 1 18 GLU HB2 5.040 . 5.040 3.113 2.178 5.017 . 0 0 "[ . 1 . 2]" 1
108 1 15 LYS HA 1 18 GLU QB 4.170 . 4.170 2.895 2.164 3.947 . 0 0 "[ . 1 . 2]" 1
109 1 15 LYS HA 1 18 GLU HB3 5.040 . 5.040 4.200 3.750 4.608 . 0 0 "[ . 1 . 2]" 1
110 1 15 LYS HA 1 18 GLU QG 4.280 . 4.280 2.790 1.848 3.753 . 0 0 "[ . 1 . 2]" 1
111 1 15 LYS QB 1 16 CYS H 3.620 . 3.620 2.651 2.350 2.821 . 0 0 "[ . 1 . 2]" 1
112 1 15 LYS HB2 1 16 CYS H 4.340 . 4.340 3.880 3.048 4.058 . 0 0 "[ . 1 . 2]" 1
113 1 15 LYS HB3 1 16 CYS H 4.340 . 4.340 2.718 2.374 3.318 . 0 0 "[ . 1 . 2]" 1
114 1 15 LYS QE 1 19 MET ME 5.040 . 5.040 3.753 2.609 5.055 0.015 5 0 "[ . 1 . 2]" 1
115 1 15 LYS QG 1 16 CYS H 5.300 . 5.300 3.811 3.454 4.671 . 0 0 "[ . 1 . 2]" 1
116 1 15 LYS QG 1 19 MET ME 3.440 . 3.440 2.430 1.791 3.500 0.060 12 0 "[ . 1 . 2]" 1
117 1 16 CYS H 1 19 MET ME 4.830 . 4.830 3.625 3.421 3.970 . 0 0 "[ . 1 . 2]" 1
118 1 16 CYS HA 1 19 MET H 4.910 . 4.910 3.632 3.253 4.008 . 0 0 "[ . 1 . 2]" 1
119 1 16 CYS HA 1 19 MET ME 3.600 . 3.600 2.128 1.742 3.019 . 0 0 "[ . 1 . 2]" 1
120 1 16 CYS HA 1 19 MET QG 4.290 . 4.290 3.213 2.093 4.201 . 0 0 "[ . 1 . 2]" 1
121 1 16 CYS HA 1 20 LEU H 5.420 . 5.420 4.209 3.969 4.415 . 0 0 "[ . 1 . 2]" 1
122 1 16 CYS HA 1 63 VAL MG1 4.620 . 4.620 2.665 2.019 3.998 . 0 0 "[ . 1 . 2]" 1
123 1 16 CYS HA 1 67 ILE MD 5.920 . 5.920 4.329 3.191 5.155 . 0 0 "[ . 1 . 2]" 1
124 1 16 CYS QB 1 63 VAL MG1 4.870 . 4.870 2.780 2.158 4.059 . 0 0 "[ . 1 . 2]" 1
125 1 16 CYS QB 1 63 VAL MG2 4.600 . 4.600 2.743 1.899 3.636 . 0 0 "[ . 1 . 2]" 1
126 1 17 ARG H 1 17 ARG QB 3.560 . 3.560 2.279 2.138 2.638 . 0 0 "[ . 1 . 2]" 1
127 1 17 ARG H 1 18 GLU H 3.780 . 3.780 2.799 2.617 2.901 . 0 0 "[ . 1 . 2]" 1
128 1 17 ARG H 1 18 GLU QG 5.030 . 5.030 4.431 4.049 4.808 . 0 0 "[ . 1 . 2]" 1
129 1 17 ARG HA 1 20 LEU QB 4.350 . 4.350 2.824 2.270 3.185 . 0 0 "[ . 1 . 2]" 1
130 1 17 ARG HA 1 20 LEU MD1 3.830 . 3.830 2.680 2.006 3.165 . 0 0 "[ . 1 . 2]" 1
131 1 17 ARG HA 1 21 THR H 4.740 . 4.740 4.152 3.738 4.512 . 0 0 "[ . 1 . 2]" 1
132 1 17 ARG HA 1 41 SER HG 4.840 . 4.840 3.915 2.357 4.940 0.100 1 0 "[ . 1 . 2]" 1
133 1 17 ARG QB 1 18 GLU H 3.720 . 3.720 2.684 2.374 3.671 . 0 0 "[ . 1 . 2]" 1
134 1 17 ARG QB 1 20 LEU MD1 5.150 . 5.150 4.185 3.186 4.770 . 0 0 "[ . 1 . 2]" 1
135 1 18 GLU H 1 18 GLU HB2 4.110 . 4.110 2.736 2.334 3.677 . 0 0 "[ . 1 . 2]" 1
136 1 18 GLU H 1 18 GLU QB 3.410 . 3.410 2.479 2.306 2.636 . 0 0 "[ . 1 . 2]" 1
137 1 18 GLU H 1 18 GLU HB3 4.110 . 4.110 3.420 2.560 3.654 . 0 0 "[ . 1 . 2]" 1
138 1 18 GLU H 1 18 GLU HG2 4.390 . 4.390 2.457 2.112 3.583 . 0 0 "[ . 1 . 2]" 1
139 1 18 GLU H 1 18 GLU QG 3.620 . 3.620 2.317 2.099 2.613 . 0 0 "[ . 1 . 2]" 1
140 1 18 GLU H 1 18 GLU HG3 4.390 . 4.390 3.515 2.391 3.809 . 0 0 "[ . 1 . 2]" 1
141 1 18 GLU H 1 19 MET H 3.870 . 3.870 2.757 2.587 2.958 . 0 0 "[ . 1 . 2]" 1
142 1 18 GLU H 1 19 MET QB 6.270 . 6.270 4.881 4.633 5.414 . 0 0 "[ . 1 . 2]" 1
143 1 18 GLU HA 1 18 GLU HG2 4.200 . 4.200 3.185 2.472 3.898 . 0 0 "[ . 1 . 2]" 1
144 1 18 GLU HA 1 18 GLU QG 3.590 . 3.590 2.989 2.388 3.380 . 0 0 "[ . 1 . 2]" 1
145 1 18 GLU HA 1 18 GLU HG3 4.200 . 4.200 3.715 3.032 3.853 . 0 0 "[ . 1 . 2]" 1
146 1 18 GLU HA 1 21 THR H 4.600 . 4.600 3.594 3.057 4.034 . 0 0 "[ . 1 . 2]" 1
147 1 18 GLU HA 1 21 THR HG1 4.550 . 4.550 3.080 1.955 4.577 0.027 11 0 "[ . 1 . 2]" 1
148 1 18 GLU QB 1 19 MET H 3.450 . 3.450 2.842 2.424 3.585 0.135 1 0 "[ . 1 . 2]" 1
149 1 18 GLU QB 1 19 MET HA 5.180 . 5.180 4.083 3.805 4.566 . 0 0 "[ . 1 . 2]" 1
150 1 18 GLU QB 1 22 ALA MB 6.100 . 6.100 4.262 4.001 4.552 . 0 0 "[ . 1 . 2]" 1
151 1 18 GLU HB2 1 19 MET H 4.270 . 4.270 2.976 2.490 3.999 . 0 0 "[ . 1 . 2]" 1
152 1 18 GLU HB3 1 19 MET H 4.270 . 4.270 3.748 3.333 4.094 . 0 0 "[ . 1 . 2]" 1
153 1 18 GLU HG2 1 19 MET H 5.240 . 5.240 4.192 2.665 5.144 . 0 0 "[ . 1 . 2]" 1
154 1 18 GLU HG3 1 19 MET H 5.240 . 5.240 4.499 2.386 5.325 0.085 9 0 "[ . 1 . 2]" 1
155 1 19 MET H 1 19 MET QB 3.620 . 3.620 2.493 2.401 2.792 . 0 0 "[ . 1 . 2]" 1
156 1 19 MET H 1 19 MET ME 4.530 . 4.530 3.713 3.438 4.293 . 0 0 "[ . 1 . 2]" 1
157 1 19 MET H 1 19 MET HG2 4.090 . 4.090 3.174 1.982 3.702 . 0 0 "[ . 1 . 2]" 1
158 1 19 MET H 1 19 MET QG 3.540 . 3.540 2.371 1.954 2.598 . 0 0 "[ . 1 . 2]" 1
159 1 19 MET H 1 19 MET HG3 4.090 . 4.090 2.734 2.356 3.491 . 0 0 "[ . 1 . 2]" 1
160 1 19 MET H 1 20 LEU H 3.780 . 3.780 2.624 2.543 2.715 . 0 0 "[ . 1 . 2]" 1
161 1 19 MET H 1 22 ALA MB 6.010 . 6.010 4.477 4.267 4.740 . 0 0 "[ . 1 . 2]" 1
162 1 19 MET HA 1 19 MET QG 3.640 . 3.640 2.722 2.391 3.415 . 0 0 "[ . 1 . 2]" 1
163 1 19 MET HA 1 22 ALA H 4.230 . 4.230 3.158 2.912 3.438 . 0 0 "[ . 1 . 2]" 1
164 1 19 MET HA 1 22 ALA MB 3.620 . 3.620 2.259 1.953 2.527 . 0 0 "[ . 1 . 2]" 1
165 1 19 MET HA 1 67 ILE MD 5.120 . 5.120 3.909 3.507 4.297 . 0 0 "[ . 1 . 2]" 1
166 1 19 MET QB 1 20 LEU H 4.110 . 4.110 3.002 2.572 3.674 . 0 0 "[ . 1 . 2]" 1
167 1 19 MET QB 1 22 ALA MB 6.300 . 6.300 3.674 3.234 4.095 . 0 0 "[ . 1 . 2]" 1
168 1 19 MET QB 1 67 ILE MD 3.370 . 3.370 2.008 1.775 2.434 . 0 0 "[ . 1 . 2]" 1
169 1 19 MET ME 1 20 LEU H 5.410 . 5.410 4.461 4.115 4.947 . 0 0 "[ . 1 . 2]" 1
170 1 19 MET ME 1 63 VAL HA 6.300 . 6.300 5.571 4.923 6.397 0.097 17 0 "[ . 1 . 2]" 1
171 1 19 MET ME 1 63 VAL MG1 3.080 . 3.080 2.435 1.859 3.192 0.112 16 0 "[ . 1 . 2]" 1
172 1 19 MET ME 1 63 VAL MG2 5.270 . 5.270 4.056 3.081 4.957 . 0 0 "[ . 1 . 2]" 1
173 1 19 MET ME 1 64 ARG QD 6.300 . 6.300 5.264 3.744 6.308 0.008 18 0 "[ . 1 . 2]" 1
174 1 19 MET QG 1 20 LEU HG 5.870 . 5.870 4.863 2.652 5.931 0.061 18 0 "[ . 1 . 2]" 1
175 1 19 MET QG 1 63 VAL MG1 5.730 . 5.730 3.959 2.348 5.278 . 0 0 "[ . 1 . 2]" 1
176 1 19 MET QG 1 67 ILE MD 5.380 . 5.380 3.204 1.895 4.230 . 0 0 "[ . 1 . 2]" 1
177 1 19 MET HG2 1 67 ILE MD 6.240 . 6.240 3.830 3.417 4.588 . 0 0 "[ . 1 . 2]" 1
178 1 19 MET HG3 1 67 ILE MD 6.240 . 6.240 3.655 1.904 4.957 . 0 0 "[ . 1 . 2]" 1
179 1 20 LEU H 1 20 LEU QB 3.440 . 3.440 2.441 2.352 2.500 . 0 0 "[ . 1 . 2]" 1
180 1 20 LEU H 1 20 LEU MD1 4.500 . 4.500 3.723 3.587 3.880 . 0 0 "[ . 1 . 2]" 1
181 1 20 LEU H 1 20 LEU MD2 5.050 . 5.050 3.468 3.202 3.722 . 0 0 "[ . 1 . 2]" 1
182 1 20 LEU H 1 20 LEU HG 4.090 . 4.090 2.466 2.299 2.719 . 0 0 "[ . 1 . 2]" 1
183 1 20 LEU H 1 63 VAL MG1 5.270 . 5.270 4.080 3.341 5.097 . 0 0 "[ . 1 . 2]" 1
184 1 20 LEU H 1 67 ILE MD 5.150 . 5.150 3.831 3.061 4.786 . 0 0 "[ . 1 . 2]" 1
185 1 20 LEU HA 1 20 LEU MD2 3.550 . 3.550 2.087 1.962 2.175 . 0 0 "[ . 1 . 2]" 1
186 1 20 LEU HA 1 20 LEU HG 4.350 . 4.350 3.116 2.949 3.288 . 0 0 "[ . 1 . 2]" 1
187 1 20 LEU HA 1 22 ALA H 4.500 . 4.500 4.375 4.186 4.495 . 0 0 "[ . 1 . 2]" 1
188 1 20 LEU HA 1 23 ALA H 5.870 . 5.870 3.403 3.146 3.636 . 0 0 "[ . 1 . 2]" 1
189 1 20 LEU HA 1 67 ILE HA 6.300 . 6.300 4.010 3.220 4.382 . 0 0 "[ . 1 . 2]" 1
190 1 20 LEU HA 1 67 ILE QG 5.780 . 5.780 2.742 2.052 4.258 . 0 0 "[ . 1 . 2]" 1
191 1 20 LEU HA 1 67 ILE MG 4.700 . 4.700 4.032 3.521 4.569 . 0 0 "[ . 1 . 2]" 1
192 1 20 LEU QB 1 21 THR H 4.030 . 4.030 2.582 2.308 2.791 . 0 0 "[ . 1 . 2]" 1
193 1 20 LEU QB 1 22 ALA H 5.350 . 5.350 4.702 4.558 4.857 . 0 0 "[ . 1 . 2]" 1
194 1 20 LEU QB 1 22 ALA MB 6.100 . 6.100 5.554 5.463 5.691 . 0 0 "[ . 1 . 2]" 1
195 1 20 LEU QB 1 41 SER QB 5.010 . 5.010 2.641 1.924 3.493 . 0 0 "[ . 1 . 2]" 1
196 1 20 LEU MD1 1 21 THR H 5.330 . 5.330 4.601 4.302 4.840 . 0 0 "[ . 1 . 2]" 1
197 1 20 LEU MD1 1 41 SER HG 6.210 . 6.210 4.380 2.502 5.458 . 0 0 "[ . 1 . 2]" 1
198 1 20 LEU MD1 1 44 ILE HB 5.670 . 5.670 3.016 2.163 4.174 . 0 0 "[ . 1 . 2]" 1
199 1 20 LEU MD1 1 45 GLU H 4.810 . 4.810 3.699 3.107 4.462 . 0 0 "[ . 1 . 2]" 1
200 1 20 LEU MD1 1 45 GLU HA 4.980 . 4.980 3.294 2.501 3.921 . 0 0 "[ . 1 . 2]" 1
201 1 20 LEU MD1 1 45 GLU HB2 5.080 . 5.080 3.217 2.111 5.209 0.129 14 0 "[ . 1 . 2]" 1
202 1 20 LEU MD1 1 45 GLU HB3 5.080 . 5.080 4.147 1.695 5.186 0.106 5 0 "[ . 1 . 2]" 1
203 1 20 LEU MD1 1 63 VAL HA 6.300 . 6.300 4.274 3.724 5.193 . 0 0 "[ . 1 . 2]" 1
204 1 20 LEU MD1 1 67 ILE QG 6.000 . 6.000 4.589 4.243 5.901 . 0 0 "[ . 1 . 2]" 1
205 1 20 LEU MD2 1 21 THR H 5.750 . 5.750 4.745 4.681 4.800 . 0 0 "[ . 1 . 2]" 1
206 1 20 LEU MD2 1 63 VAL HA 5.000 . 5.000 3.102 2.608 3.764 . 0 0 "[ . 1 . 2]" 1
207 1 20 LEU MD2 1 66 ARG H 5.740 . 5.740 4.583 4.071 5.279 . 0 0 "[ . 1 . 2]" 1
208 1 20 LEU MD2 1 66 ARG QB 5.150 . 5.150 2.568 2.049 3.477 . 0 0 "[ . 1 . 2]" 1
209 1 20 LEU MD2 1 67 ILE H 3.740 . 3.740 3.444 2.913 3.945 0.205 20 0 "[ . 1 . 2]" 1
210 1 20 LEU MD2 1 67 ILE HA 4.270 . 4.270 3.476 2.440 3.973 . 0 0 "[ . 1 . 2]" 1
211 1 20 LEU MD2 1 67 ILE QG 3.830 . 3.830 2.230 1.947 3.709 . 0 0 "[ . 1 . 2]" 1
212 1 20 LEU HG 1 21 THR H 6.250 . 6.250 4.473 4.269 4.738 . 0 0 "[ . 1 . 2]" 1
213 1 20 LEU HG 1 63 VAL MG1 4.950 . 4.950 2.703 2.145 4.032 . 0 0 "[ . 1 . 2]" 1
214 1 20 LEU HG 1 67 ILE MD 4.970 . 4.970 3.779 2.588 4.742 . 0 0 "[ . 1 . 2]" 1
215 1 21 THR H 1 21 THR HB 3.650 . 3.650 2.631 2.517 2.755 . 0 0 "[ . 1 . 2]" 1
216 1 21 THR H 1 21 THR HG1 4.000 . 4.000 2.698 2.044 3.595 . 0 0 "[ . 1 . 2]" 1
217 1 21 THR H 1 21 THR MG 4.400 . 4.400 3.826 3.800 3.842 . 0 0 "[ . 1 . 2]" 1
218 1 21 THR H 1 22 ALA H 3.930 . 3.930 2.674 2.581 2.779 . 0 0 "[ . 1 . 2]" 1
219 1 21 THR H 1 22 ALA MB 5.520 . 5.520 4.331 4.230 4.474 . 0 0 "[ . 1 . 2]" 1
220 1 21 THR H 1 23 ALA MB 6.300 . 6.300 4.781 4.589 5.003 . 0 0 "[ . 1 . 2]" 1
221 1 21 THR H 1 41 SER HB2 5.830 . 5.830 3.455 3.008 3.924 . 0 0 "[ . 1 . 2]" 1
222 1 21 THR H 1 41 SER QB 5.130 . 5.130 3.229 2.836 3.732 . 0 0 "[ . 1 . 2]" 1
223 1 21 THR H 1 41 SER HB3 5.830 . 5.830 3.895 3.291 4.671 . 0 0 "[ . 1 . 2]" 1
224 1 21 THR H 1 41 SER HG 4.110 . 4.110 3.332 2.217 4.151 0.041 14 0 "[ . 1 . 2]" 1
225 1 21 THR HA 1 24 LEU MD1 4.800 . 4.800 2.610 2.232 3.010 . 0 0 "[ . 1 . 2]" 1
226 1 21 THR HA 1 25 GLN H 5.940 . 5.940 4.571 4.215 5.011 . 0 0 "[ . 1 . 2]" 1
227 1 21 THR HA 1 41 SER HB2 5.270 . 5.270 3.291 2.483 4.301 . 0 0 "[ . 1 . 2]" 1
228 1 21 THR HA 1 41 SER QB 4.430 . 4.430 2.684 2.429 3.177 . 0 0 "[ . 1 . 2]" 1
229 1 21 THR HA 1 41 SER HB3 5.270 . 5.270 3.251 2.539 4.354 . 0 0 "[ . 1 . 2]" 1
230 1 21 THR HB 1 22 ALA H 3.840 . 3.840 2.665 2.474 2.921 . 0 0 "[ . 1 . 2]" 1
231 1 21 THR HG1 1 22 ALA H 4.920 . 4.920 4.360 3.987 4.958 0.038 15 0 "[ . 1 . 2]" 1
232 1 21 THR HG1 1 38 GLU HA 5.030 . 5.030 3.242 1.677 4.274 . 0 0 "[ . 1 . 2]" 1
233 1 21 THR HG1 1 41 SER H 5.600 . 5.600 5.153 4.047 5.671 0.071 2 0 "[ . 1 . 2]" 1
234 1 21 THR HG1 1 41 SER QB 5.500 . 5.500 2.953 2.077 4.133 . 0 0 "[ . 1 . 2]" 1
235 1 21 THR MG 1 22 ALA H 4.110 . 4.110 3.609 3.393 3.862 . 0 0 "[ . 1 . 2]" 1
236 1 21 THR MG 1 22 ALA HA 5.000 . 5.000 3.748 3.506 4.056 . 0 0 "[ . 1 . 2]" 1
237 1 21 THR MG 1 22 ALA MB 5.660 . 5.660 4.320 4.049 4.550 . 0 0 "[ . 1 . 2]" 1
238 1 21 THR MG 1 24 LEU HA 5.870 . 5.870 5.981 5.599 6.104 0.234 9 0 "[ . 1 . 2]" 1
239 1 21 THR MG 1 24 LEU QB 5.010 . 5.010 3.468 3.065 3.702 . 0 0 "[ . 1 . 2]" 1
240 1 21 THR MG 1 25 GLN H 4.900 . 4.900 4.281 3.943 4.752 . 0 0 "[ . 1 . 2]" 1
241 1 21 THR MG 1 25 GLN QB 6.300 . 6.300 3.573 2.627 4.780 . 0 0 "[ . 1 . 2]" 1
242 1 21 THR MG 1 25 GLN QE 3.990 . 3.990 2.456 1.481 4.043 0.053 8 0 "[ . 1 . 2]" 1
243 1 21 THR MG 1 25 GLN QG 4.910 . 4.910 2.879 1.975 3.571 . 0 0 "[ . 1 . 2]" 1
244 1 21 THR MG 1 37 CYS HA 6.040 . 6.040 4.490 3.927 5.403 . 0 0 "[ . 1 . 2]" 1
245 1 21 THR MG 1 37 CYS HB2 5.190 . 5.190 2.932 2.084 4.071 . 0 0 "[ . 1 . 2]" 1
246 1 21 THR MG 1 37 CYS HB3 5.190 . 5.190 4.020 2.447 5.197 0.007 4 0 "[ . 1 . 2]" 1
247 1 21 THR MG 1 38 GLU H 4.620 . 4.620 3.314 2.836 3.988 . 0 0 "[ . 1 . 2]" 1
248 1 21 THR MG 1 38 GLU HA 4.610 . 4.610 2.479 2.047 3.143 . 0 0 "[ . 1 . 2]" 1
249 1 21 THR MG 1 38 GLU QB 6.100 . 6.100 2.734 1.956 3.870 . 0 0 "[ . 1 . 2]" 1
250 1 21 THR MG 1 38 GLU QG 3.810 . 3.810 3.312 1.938 3.931 0.121 19 0 "[ . 1 . 2]" 1
251 1 21 THR MG 1 41 SER QB 5.290 . 5.290 3.591 2.886 4.291 . 0 0 "[ . 1 . 2]" 1
252 1 21 THR MG 1 41 SER HG 5.570 . 5.570 3.998 3.129 5.617 0.047 20 0 "[ . 1 . 2]" 1
253 1 22 ALA H 1 22 ALA MB 3.090 . 3.090 2.250 2.228 2.265 . 0 0 "[ . 1 . 2]" 1
254 1 22 ALA H 1 23 ALA H 3.780 . 3.780 2.706 2.595 2.784 . 0 0 "[ . 1 . 2]" 1
255 1 22 ALA H 1 23 ALA MB 5.740 . 5.740 4.358 4.253 4.430 . 0 0 "[ . 1 . 2]" 1
256 1 22 ALA HA 1 25 GLN H 4.390 . 4.390 3.257 2.899 3.522 . 0 0 "[ . 1 . 2]" 1
257 1 22 ALA HA 1 25 GLN QB 4.350 . 4.350 3.177 2.045 4.184 . 0 0 "[ . 1 . 2]" 1
258 1 22 ALA HA 1 25 GLN QG 4.750 . 4.750 2.612 1.735 4.034 . 0 0 "[ . 1 . 2]" 1
259 1 22 ALA MB 1 23 ALA H 3.600 . 3.600 2.681 2.537 2.800 . 0 0 "[ . 1 . 2]" 1
260 1 22 ALA MB 1 23 ALA HA 4.770 . 4.770 4.054 3.984 4.099 . 0 0 "[ . 1 . 2]" 1
261 1 22 ALA MB 1 24 LEU H 6.300 . 6.300 4.541 4.413 4.660 . 0 0 "[ . 1 . 2]" 1
262 1 22 ALA MB 1 25 GLN QB 6.300 . 6.300 4.469 3.577 5.291 . 0 0 "[ . 1 . 2]" 1
263 1 22 ALA MB 1 67 ILE MG 6.010 . 6.010 3.900 3.417 4.193 . 0 0 "[ . 1 . 2]" 1
264 1 23 ALA H 1 23 ALA MB 3.210 . 3.210 2.243 2.223 2.271 . 0 0 "[ . 1 . 2]" 1
265 1 23 ALA H 1 24 LEU H 4.070 . 4.070 2.652 2.563 2.753 . 0 0 "[ . 1 . 2]" 1
266 1 23 ALA H 1 26 THR MG 6.300 . 6.300 5.408 4.755 5.962 . 0 0 "[ . 1 . 2]" 1
267 1 23 ALA H 1 67 ILE QG 4.640 . 4.640 4.250 3.683 4.729 0.089 20 0 "[ . 1 . 2]" 1
268 1 23 ALA H 1 67 ILE MG 4.010 . 4.010 3.591 2.956 3.964 . 0 0 "[ . 1 . 2]" 1
269 1 23 ALA HA 1 67 ILE MG 4.870 . 4.870 3.252 2.638 3.827 . 0 0 "[ . 1 . 2]" 1
270 1 23 ALA HA 1 70 LEU MD1 5.710 . 5.710 4.621 4.135 5.702 . 0 0 "[ . 1 . 2]" 1
271 1 23 ALA HA 1 71 LYS H 6.020 . 6.020 5.145 4.041 5.828 . 0 0 "[ . 1 . 2]" 1
272 1 23 ALA HA 1 71 LYS QE 4.380 . 4.380 2.990 2.063 4.263 . 0 0 "[ . 1 . 2]" 1
273 1 23 ALA MB 1 24 LEU H 3.680 . 3.680 2.665 2.459 2.810 . 0 0 "[ . 1 . 2]" 1
274 1 23 ALA MB 1 26 THR H 5.430 . 5.430 4.832 4.664 4.984 . 0 0 "[ . 1 . 2]" 1
275 1 23 ALA MB 1 26 THR MG 4.300 . 4.300 4.044 3.752 4.338 0.038 13 0 "[ . 1 . 2]" 1
276 1 23 ALA MB 1 67 ILE HA 4.580 . 4.580 2.377 1.952 2.846 . 0 0 "[ . 1 . 2]" 1
277 1 23 ALA MB 1 67 ILE MD 5.470 . 5.470 3.769 1.792 4.481 . 0 0 "[ . 1 . 2]" 1
278 1 23 ALA MB 1 67 ILE MG 3.230 . 3.230 1.894 1.597 2.313 . 0 0 "[ . 1 . 2]" 1
279 1 23 ALA MB 1 70 LEU H 5.210 . 5.210 4.003 3.457 4.452 . 0 0 "[ . 1 . 2]" 1
280 1 23 ALA MB 1 70 LEU MD1 3.890 . 3.890 2.198 1.992 2.994 . 0 0 "[ . 1 . 2]" 1
281 1 23 ALA MB 1 70 LEU MD2 3.560 . 3.560 3.822 3.670 4.000 0.440 9 0 "[ . 1 . 2]" 1
282 1 23 ALA MB 1 71 LYS QE 5.920 . 5.920 3.389 2.588 4.945 . 0 0 "[ . 1 . 2]" 1
283 1 24 LEU H 1 24 LEU HB2 4.010 . 4.010 2.495 2.424 2.549 . 0 0 "[ . 1 . 2]" 1
284 1 24 LEU H 1 24 LEU QB 3.480 . 3.480 2.453 2.389 2.503 . 0 0 "[ . 1 . 2]" 1
285 1 24 LEU H 1 24 LEU HB3 4.010 . 4.010 3.628 3.597 3.650 . 0 0 "[ . 1 . 2]" 1
286 1 24 LEU H 1 24 LEU MD1 4.380 . 4.380 3.729 3.564 3.856 . 0 0 "[ . 1 . 2]" 1
287 1 24 LEU H 1 24 LEU MD2 4.750 . 4.750 3.391 3.139 3.682 . 0 0 "[ . 1 . 2]" 1
288 1 24 LEU H 1 24 LEU HG 3.910 . 3.910 2.417 2.167 2.604 . 0 0 "[ . 1 . 2]" 1
289 1 24 LEU H 1 25 GLN H 4.210 . 4.210 2.517 2.387 2.653 . 0 0 "[ . 1 . 2]" 1
290 1 24 LEU H 1 25 GLN QG 5.680 . 5.680 4.104 3.791 4.368 . 0 0 "[ . 1 . 2]" 1
291 1 24 LEU H 1 70 LEU MD1 6.090 . 6.090 4.072 3.643 4.457 . 0 0 "[ . 1 . 2]" 1
292 1 24 LEU HA 1 24 LEU MD2 3.480 . 3.480 2.109 2.030 2.209 . 0 0 "[ . 1 . 2]" 1
293 1 24 LEU HA 1 70 LEU MD1 5.950 . 5.950 4.533 3.594 5.194 . 0 0 "[ . 1 . 2]" 1
294 1 24 LEU HA 1 70 LEU MD2 5.520 . 5.520 4.775 3.883 5.585 0.065 18 0 "[ . 1 . 2]" 1
295 1 24 LEU QB 1 37 CYS HA 5.370 . 5.370 3.569 3.085 4.173 . 0 0 "[ . 1 . 2]" 1
296 1 24 LEU QB 1 41 SER QB 5.300 . 5.300 4.173 3.543 4.532 . 0 0 "[ . 1 . 2]" 1
297 1 24 LEU MD1 1 37 CYS QB 4.750 . 4.750 2.501 2.057 2.979 . 0 0 "[ . 1 . 2]" 1
298 1 24 LEU MD1 1 40 LEU H 4.970 . 4.970 4.333 3.821 4.613 . 0 0 "[ . 1 . 2]" 1
299 1 24 LEU MD1 1 40 LEU HB2 4.250 . 4.250 2.554 2.177 3.023 . 0 0 "[ . 1 . 2]" 1
300 1 24 LEU MD1 1 40 LEU QB 3.720 . 3.720 2.462 2.136 2.897 . 0 0 "[ . 1 . 2]" 1
301 1 24 LEU MD1 1 40 LEU HB3 4.250 . 4.250 3.257 2.833 3.712 . 0 0 "[ . 1 . 2]" 1
302 1 24 LEU MD1 1 41 SER H 3.760 . 3.760 3.013 2.540 3.445 . 0 0 "[ . 1 . 2]" 1
303 1 24 LEU MD1 1 41 SER HB2 4.090 . 4.090 3.062 1.965 4.065 . 0 0 "[ . 1 . 2]" 1
304 1 24 LEU MD1 1 41 SER QB 3.480 . 3.480 2.344 1.907 2.694 . 0 0 "[ . 1 . 2]" 1
305 1 24 LEU MD1 1 41 SER HB3 4.090 . 4.090 3.006 1.918 3.979 . 0 0 "[ . 1 . 2]" 1
306 1 24 LEU MD1 1 41 SER HG 5.920 . 5.920 4.144 3.153 4.870 . 0 0 "[ . 1 . 2]" 1
307 1 24 LEU MD1 1 42 ALA H 6.300 . 6.300 5.084 4.600 5.488 . 0 0 "[ . 1 . 2]" 1
308 1 24 LEU MD2 1 25 GLN H 5.550 . 5.550 4.760 4.563 4.863 . 0 0 "[ . 1 . 2]" 1
309 1 24 LEU MD2 1 37 CYS QB 5.280 . 5.280 3.975 3.351 4.511 . 0 0 "[ . 1 . 2]" 1
310 1 24 LEU MD2 1 70 LEU HA 5.480 . 5.480 4.663 3.440 5.258 . 0 0 "[ . 1 . 2]" 1
311 1 24 LEU MD2 1 82 VAL HB 5.410 . 5.410 3.496 2.597 4.556 . 0 0 "[ . 1 . 2]" 1
312 1 24 LEU MD2 1 83 LEU H 5.230 . 5.230 4.567 3.656 5.396 0.166 16 0 "[ . 1 . 2]" 1
313 1 25 GLN H 1 25 GLN QB 3.850 . 3.850 2.666 2.399 2.978 . 0 0 "[ . 1 . 2]" 1
314 1 25 GLN H 1 25 GLN QG 4.510 . 4.510 2.521 2.156 2.975 . 0 0 "[ . 1 . 2]" 1
315 1 25 GLN HA 1 28 HIS HD2 4.750 . 4.750 4.700 4.098 5.093 0.343 12 0 "[ . 1 . 2]" 1
316 1 25 GLN QE 1 26 THR H 6.030 . 6.030 5.655 4.939 6.200 0.170 19 0 "[ . 1 . 2]" 1
317 1 25 GLN QE 1 37 CYS HG 4.420 . 4.420 3.295 2.475 4.457 0.037 19 0 "[ . 1 . 2]" 1
318 1 25 GLN QG 1 37 CYS HG 4.270 . 4.270 3.478 1.964 4.338 0.068 20 0 "[ . 1 . 2]" 1
319 1 26 THR H 1 26 THR HB 3.990 . 3.990 2.604 2.506 2.743 . 0 0 "[ . 1 . 2]" 1
320 1 26 THR H 1 26 THR MG 4.320 . 4.320 2.162 2.026 2.304 . 0 0 "[ . 1 . 2]" 1
321 1 26 THR H 1 27 ASP H 5.420 . 5.420 2.812 2.642 3.065 . 0 0 "[ . 1 . 2]" 1
322 1 26 THR HA 1 27 ASP HA 5.250 . 5.250 4.628 4.445 4.772 . 0 0 "[ . 1 . 2]" 1
323 1 26 THR HB 1 27 ASP H 5.040 . 5.040 4.051 3.980 4.146 . 0 0 "[ . 1 . 2]" 1
324 1 26 THR MG 1 27 ASP H 4.570 . 4.570 2.238 2.001 2.555 . 0 0 "[ . 1 . 2]" 1
325 1 26 THR MG 1 27 ASP HA 4.690 . 4.690 3.992 3.663 4.368 . 0 0 "[ . 1 . 2]" 1
326 1 26 THR MG 1 27 ASP HB2 4.690 . 4.690 3.135 2.646 3.682 . 0 0 "[ . 1 . 2]" 1
327 1 26 THR MG 1 27 ASP QB 4.090 . 4.090 2.999 2.539 3.521 . 0 0 "[ . 1 . 2]" 1
328 1 26 THR MG 1 27 ASP HB3 4.690 . 4.690 3.937 3.103 4.602 . 0 0 "[ . 1 . 2]" 1
329 1 26 THR MG 1 29 ASP H 6.300 . 6.300 4.787 3.887 5.922 . 0 0 "[ . 1 . 2]" 1
330 1 26 THR MG 1 71 LYS H 6.300 . 6.300 4.718 4.104 5.145 . 0 0 "[ . 1 . 2]" 1
331 1 26 THR MG 1 71 LYS HA 3.730 . 3.730 2.901 2.133 3.725 . 0 0 "[ . 1 . 2]" 1
332 1 26 THR MG 1 71 LYS QB 4.870 . 4.870 2.471 1.860 4.258 . 0 0 "[ . 1 . 2]" 1
333 1 26 THR MG 1 71 LYS QE 4.660 . 4.660 3.337 1.845 4.582 . 0 0 "[ . 1 . 2]" 1
334 1 27 ASP QB 1 29 ASP H 5.920 . 5.920 3.192 2.350 4.479 . 0 0 "[ . 1 . 2]" 1
335 1 28 HIS H 1 29 ASP H 5.350 . 5.350 2.734 1.842 3.326 . 0 0 "[ . 1 . 2]" 1
336 1 28 HIS HA 1 28 HIS HD2 4.900 . 4.900 2.710 2.324 3.220 . 0 0 "[ . 1 . 2]" 1
337 1 28 HIS HA 1 31 VAL MG2 5.210 . 5.210 2.911 2.363 3.738 . 0 0 "[ . 1 . 2]" 1
338 1 28 HIS HB2 1 28 HIS HD2 3.770 . 3.770 3.860 3.258 3.955 0.185 17 0 "[ . 1 . 2]" 1
339 1 28 HIS HB2 1 31 VAL MG2 5.040 . 5.040 4.142 3.489 4.919 . 0 0 "[ . 1 . 2]" 1
340 1 28 HIS HB3 1 28 HIS HD2 4.030 . 4.030 3.243 2.868 3.961 . 0 0 "[ . 1 . 2]" 1
341 1 28 HIS HB3 1 31 VAL MG2 4.440 . 4.440 2.846 2.337 4.402 . 0 0 "[ . 1 . 2]" 1
342 1 28 HIS HD2 1 31 VAL MG2 4.190 . 4.190 3.294 1.761 4.293 0.103 4 0 "[ . 1 . 2]" 1
343 1 29 ASP H 1 30 HIS H 4.590 . 4.590 2.784 2.512 2.925 . 0 0 "[ . 1 . 2]" 1
344 1 29 ASP HA 1 32 ALA H 5.090 . 5.090 3.624 3.018 4.098 . 0 0 "[ . 1 . 2]" 1
345 1 29 ASP HA 1 32 ALA MB 4.580 . 4.580 3.052 2.203 3.774 . 0 0 "[ . 1 . 2]" 1
346 1 29 ASP HA 1 83 LEU MD1 5.810 . 5.810 4.282 3.615 5.105 . 0 0 "[ . 1 . 2]" 1
347 1 29 ASP HA 1 83 LEU MD2 6.300 . 6.300 6.021 4.083 6.474 0.174 10 0 "[ . 1 . 2]" 1
348 1 29 ASP QB 1 83 LEU MD1 4.680 . 4.680 2.410 1.887 4.039 . 0 0 "[ . 1 . 2]" 1
349 1 30 HIS H 1 31 VAL H 4.870 . 4.870 2.724 2.497 2.831 . 0 0 "[ . 1 . 2]" 1
350 1 30 HIS H 1 83 LEU MD1 4.600 . 4.600 2.971 1.913 4.509 . 0 0 "[ . 1 . 2]" 1
351 1 30 HIS H 1 83 LEU MD2 5.070 . 5.070 3.800 2.285 4.246 . 0 0 "[ . 1 . 2]" 1
352 1 30 HIS HA 1 33 ILE HB 4.560 . 4.560 3.020 2.284 4.074 . 0 0 "[ . 1 . 2]" 1
353 1 30 HIS HA 1 35 ALA MB 4.350 . 4.350 3.126 2.461 3.820 . 0 0 "[ . 1 . 2]" 1
354 1 30 HIS HA 1 83 LEU MD1 5.870 . 5.870 2.727 1.905 4.964 . 0 0 "[ . 1 . 2]" 1
355 1 30 HIS HA 1 83 LEU MD2 3.170 . 3.170 2.896 1.908 3.264 0.094 11 0 "[ . 1 . 2]" 1
356 1 30 HIS QB 1 35 ALA MB 4.040 . 4.040 2.883 2.058 3.789 . 0 0 "[ . 1 . 2]" 1
357 1 30 HIS QB 1 83 LEU MD1 5.130 . 5.130 2.907 2.125 5.203 0.073 8 0 "[ . 1 . 2]" 1
358 1 30 HIS QB 1 83 LEU MD2 4.910 . 4.910 2.184 1.756 3.266 . 0 0 "[ . 1 . 2]" 1
359 1 30 HIS HB2 1 35 ALA MB 4.960 . 4.960 3.120 2.084 4.651 . 0 0 "[ . 1 . 2]" 1
360 1 30 HIS HB2 1 83 LEU MD2 5.630 . 5.630 2.703 2.398 4.324 . 0 0 "[ . 1 . 2]" 1
361 1 30 HIS HB3 1 35 ALA MB 4.960 . 4.960 3.887 2.278 5.010 0.050 5 0 "[ . 1 . 2]" 1
362 1 30 HIS HB3 1 83 LEU MD2 5.630 . 5.630 2.419 1.776 3.926 . 0 0 "[ . 1 . 2]" 1
363 1 31 VAL H 1 31 VAL HB 3.660 . 3.660 2.579 2.516 2.678 . 0 0 "[ . 1 . 2]" 1
364 1 31 VAL H 1 31 VAL MG1 4.400 . 4.400 3.828 3.795 3.840 . 0 0 "[ . 1 . 2]" 1
365 1 31 VAL H 1 31 VAL MG2 3.710 . 3.710 2.095 1.999 2.200 . 0 0 "[ . 1 . 2]" 1
366 1 31 VAL H 1 32 ALA H 4.140 . 4.140 2.604 2.483 2.721 . 0 0 "[ . 1 . 2]" 1
367 1 31 VAL H 1 32 ALA MB 4.890 . 4.890 4.248 4.131 4.381 . 0 0 "[ . 1 . 2]" 1
368 1 31 VAL HA 1 31 VAL MG1 3.690 . 3.690 2.462 2.399 2.506 . 0 0 "[ . 1 . 2]" 1
369 1 31 VAL HA 1 31 VAL MG2 3.680 . 3.680 2.478 2.422 2.566 . 0 0 "[ . 1 . 2]" 1
370 1 31 VAL HA 1 34 GLY H 5.180 . 5.180 3.325 3.049 3.689 . 0 0 "[ . 1 . 2]" 1
371 1 31 VAL HB 1 32 ALA H 4.230 . 4.230 2.606 2.343 2.838 . 0 0 "[ . 1 . 2]" 1
372 1 31 VAL MG1 1 32 ALA H 4.410 . 4.410 3.537 3.296 3.774 . 0 0 "[ . 1 . 2]" 1
373 1 31 VAL MG1 1 32 ALA HA 4.590 . 4.590 3.707 3.390 3.966 . 0 0 "[ . 1 . 2]" 1
374 1 31 VAL MG1 1 32 ALA MB 4.900 . 4.900 4.269 3.894 4.607 . 0 0 "[ . 1 . 2]" 1
375 1 31 VAL MG1 1 34 GLY H 5.300 . 5.300 4.631 4.400 4.911 . 0 0 "[ . 1 . 2]" 1
376 1 31 VAL MG2 1 32 ALA H 4.380 . 4.380 3.798 3.684 3.920 . 0 0 "[ . 1 . 2]" 1
377 1 31 VAL MG2 1 33 ILE H 5.710 . 5.710 5.383 5.205 5.720 0.010 13 0 "[ . 1 . 2]" 1
378 1 32 ALA H 1 32 ALA MB 3.580 . 3.580 2.241 2.227 2.267 . 0 0 "[ . 1 . 2]" 1
379 1 32 ALA H 1 33 ILE H 4.590 . 4.590 2.738 2.605 2.959 . 0 0 "[ . 1 . 2]" 1
380 1 32 ALA HA 1 33 ILE QG 5.120 . 5.120 4.899 4.590 5.272 0.152 12 0 "[ . 1 . 2]" 1
381 1 32 ALA HA 1 34 GLY H 6.300 . 6.300 4.381 4.138 4.838 . 0 0 "[ . 1 . 2]" 1
382 1 32 ALA MB 1 33 ILE H 4.250 . 4.250 2.653 2.411 2.822 . 0 0 "[ . 1 . 2]" 1
383 1 32 ALA MB 1 33 ILE MD 5.180 . 5.180 4.021 2.137 4.406 . 0 0 "[ . 1 . 2]" 1
384 1 33 ILE H 1 33 ILE HB 3.540 . 3.540 2.467 2.364 2.608 . 0 0 "[ . 1 . 2]" 1
385 1 33 ILE H 1 33 ILE MD 5.080 . 5.080 3.633 2.034 3.934 . 0 0 "[ . 1 . 2]" 1
386 1 33 ILE H 1 33 ILE HG12 4.670 . 4.670 3.647 3.468 4.145 . 0 0 "[ . 1 . 2]" 1
387 1 33 ILE H 1 33 ILE QG 4.090 . 4.090 2.401 2.192 3.245 . 0 0 "[ . 1 . 2]" 1
388 1 33 ILE H 1 33 ILE HG13 4.670 . 4.670 2.439 2.213 3.390 . 0 0 "[ . 1 . 2]" 1
389 1 33 ILE H 1 34 GLY H 3.740 . 3.740 2.384 2.143 2.516 . 0 0 "[ . 1 . 2]" 1
390 1 33 ILE HA 1 33 ILE MD 4.180 . 4.180 3.854 3.392 3.916 . 0 0 "[ . 1 . 2]" 1
391 1 33 ILE HA 1 33 ILE HG12 4.260 . 4.260 2.619 2.447 3.680 . 0 0 "[ . 1 . 2]" 1
392 1 33 ILE HA 1 33 ILE QG 3.590 . 3.590 2.434 2.339 2.501 . 0 0 "[ . 1 . 2]" 1
393 1 33 ILE HA 1 33 ILE HG13 4.260 . 4.260 3.005 2.516 3.126 . 0 0 "[ . 1 . 2]" 1
394 1 33 ILE HA 1 33 ILE MG 3.480 . 3.480 2.524 2.442 2.631 . 0 0 "[ . 1 . 2]" 1
395 1 33 ILE HB 1 34 GLY H 4.530 . 4.530 3.052 2.699 3.416 . 0 0 "[ . 1 . 2]" 1
396 1 33 ILE HB 1 35 ALA H 4.830 . 4.830 3.118 2.611 3.925 . 0 0 "[ . 1 . 2]" 1
397 1 33 ILE MD 1 80 ARG HA 4.850 . 4.850 3.198 2.237 5.059 0.209 8 0 "[ . 1 . 2]" 1
398 1 33 ILE MD 1 83 LEU HB2 5.170 . 5.170 2.429 1.963 4.339 . 0 0 "[ . 1 . 2]" 1
399 1 33 ILE MD 1 83 LEU QB 4.480 . 4.480 2.110 1.873 2.913 . 0 0 "[ . 1 . 2]" 1
400 1 33 ILE MD 1 83 LEU HB3 5.170 . 5.170 2.509 1.892 2.975 . 0 0 "[ . 1 . 2]" 1
401 1 33 ILE MD 1 84 CYS H 4.230 . 4.230 3.279 2.797 4.073 . 0 0 "[ . 1 . 2]" 1
402 1 33 ILE MD 1 84 CYS HA 5.120 . 5.120 3.210 2.125 4.175 . 0 0 "[ . 1 . 2]" 1
403 1 33 ILE MD 1 84 CYS QB 4.550 . 4.550 2.886 2.035 4.182 . 0 0 "[ . 1 . 2]" 1
404 1 33 ILE MD 1 85 GLY H 5.620 . 5.620 5.080 4.606 5.677 0.057 3 0 "[ . 1 . 2]" 1
405 1 33 ILE MG 1 34 GLY H 5.470 . 5.470 3.765 3.618 4.035 . 0 0 "[ . 1 . 2]" 1
406 1 33 ILE MG 1 35 ALA H 3.860 . 3.860 3.430 2.829 3.937 0.077 3 0 "[ . 1 . 2]" 1
407 1 33 ILE MG 1 35 ALA HA 4.750 . 4.750 4.421 3.941 4.741 . 0 0 "[ . 1 . 2]" 1
408 1 33 ILE MG 1 35 ALA MB 3.100 . 3.100 2.709 2.427 3.202 0.102 13 0 "[ . 1 . 2]" 1
409 1 33 ILE MG 1 84 CYS H 6.300 . 6.300 3.822 3.174 5.243 . 0 0 "[ . 1 . 2]" 1
410 1 33 ILE MG 1 84 CYS HA 4.330 . 4.330 2.263 1.802 3.304 . 0 0 "[ . 1 . 2]" 1
411 1 33 ILE MG 1 84 CYS HB2 4.640 . 4.640 3.716 2.872 4.719 0.079 13 0 "[ . 1 . 2]" 1
412 1 33 ILE MG 1 84 CYS QB 4.020 . 4.020 3.270 2.546 4.087 0.067 13 0 "[ . 1 . 2]" 1
413 1 33 ILE MG 1 84 CYS HB3 4.640 . 4.640 3.819 2.629 4.492 . 0 0 "[ . 1 . 2]" 1
414 1 34 GLY H 1 35 ALA H 3.830 . 3.830 2.474 2.192 2.745 . 0 0 "[ . 1 . 2]" 1
415 1 34 GLY H 1 35 ALA MB 5.320 . 5.320 4.173 3.979 4.311 . 0 0 "[ . 1 . 2]" 1
416 1 34 GLY QA 1 35 ALA MB 6.100 . 6.100 4.209 4.036 4.297 . 0 0 "[ . 1 . 2]" 1
417 1 35 ALA H 1 35 ALA MB 3.410 . 3.410 2.370 2.238 2.627 . 0 0 "[ . 1 . 2]" 1
418 1 35 ALA HA 1 36 ASP HA 5.100 . 5.100 4.462 4.424 4.505 . 0 0 "[ . 1 . 2]" 1
419 1 35 ALA HA 1 40 LEU MD1 5.320 . 5.320 4.273 3.649 5.277 . 0 0 "[ . 1 . 2]" 1
420 1 35 ALA MB 1 36 ASP H 5.030 . 5.030 3.077 2.559 3.444 . 0 0 "[ . 1 . 2]" 1
421 1 35 ALA MB 1 40 LEU H 6.300 . 6.300 5.757 5.325 6.293 . 0 0 "[ . 1 . 2]" 1
422 1 35 ALA MB 1 40 LEU MD1 4.260 . 4.260 2.247 1.699 3.057 . 0 0 "[ . 1 . 2]" 1
423 1 35 ALA MB 1 40 LEU MD2 4.970 . 4.970 3.533 2.658 4.176 . 0 0 "[ . 1 . 2]" 1
424 1 35 ALA MB 1 83 LEU HA 4.020 . 4.020 3.114 2.572 3.847 . 0 0 "[ . 1 . 2]" 1
425 1 35 ALA MB 1 83 LEU QB 5.420 . 5.420 3.039 2.252 4.810 . 0 0 "[ . 1 . 2]" 1
426 1 35 ALA MB 1 83 LEU MD2 3.480 . 3.480 2.973 2.097 4.092 0.612 8 1 "[ . + 1 . 2]" 1
427 1 35 ALA MB 1 83 LEU HG 6.300 . 6.300 4.973 4.217 6.137 . 0 0 "[ . 1 . 2]" 1
428 1 35 ALA MB 1 84 CYS H 6.300 . 6.300 4.881 4.282 5.524 . 0 0 "[ . 1 . 2]" 1
429 1 37 CYS HA 1 39 ARG H 5.300 . 5.300 4.517 4.045 4.879 . 0 0 "[ . 1 . 2]" 1
430 1 37 CYS HA 1 40 LEU H 4.240 . 4.240 3.543 3.051 3.899 . 0 0 "[ . 1 . 2]" 1
431 1 37 CYS HA 1 40 LEU HB2 5.080 . 5.080 2.740 2.288 3.318 . 0 0 "[ . 1 . 2]" 1
432 1 37 CYS HA 1 40 LEU QB 4.330 . 4.330 2.708 2.272 3.266 . 0 0 "[ . 1 . 2]" 1
433 1 37 CYS HA 1 40 LEU HB3 5.080 . 5.080 4.264 3.848 4.861 . 0 0 "[ . 1 . 2]" 1
434 1 37 CYS HA 1 40 LEU MD1 3.650 . 3.650 2.315 1.930 3.090 . 0 0 "[ . 1 . 2]" 1
435 1 37 CYS HA 1 40 LEU MD2 4.400 . 4.400 4.489 4.092 4.666 0.266 3 0 "[ . 1 . 2]" 1
436 1 37 CYS HA 1 40 LEU HG 4.910 . 4.910 3.067 2.526 3.233 . 0 0 "[ . 1 . 2]" 1
437 1 38 GLU H 1 38 GLU HB2 4.030 . 4.030 3.184 2.523 3.676 . 0 0 "[ . 1 . 2]" 1
438 1 38 GLU H 1 38 GLU QB 3.500 . 3.500 2.580 2.210 2.888 . 0 0 "[ . 1 . 2]" 1
439 1 38 GLU H 1 38 GLU HB3 4.030 . 4.030 2.928 2.368 3.652 . 0 0 "[ . 1 . 2]" 1
440 1 38 GLU H 1 38 GLU QG 4.360 . 4.360 2.446 1.715 4.051 . 0 0 "[ . 1 . 2]" 1
441 1 38 GLU H 1 39 ARG H 4.110 . 4.110 2.724 2.605 2.946 . 0 0 "[ . 1 . 2]" 1
442 1 38 GLU H 1 39 ARG QB 5.990 . 5.990 4.850 4.298 5.388 . 0 0 "[ . 1 . 2]" 1
443 1 38 GLU H 1 40 LEU HG 6.300 . 6.300 5.032 4.759 5.492 . 0 0 "[ . 1 . 2]" 1
444 1 38 GLU HA 1 38 GLU QB 2.750 . 2.750 2.249 2.164 2.374 . 0 0 "[ . 1 . 2]" 1
445 1 38 GLU HA 1 38 GLU QG 3.640 . 3.640 3.046 2.440 3.552 . 0 0 "[ . 1 . 2]" 1
446 1 38 GLU HA 1 41 SER H 4.820 . 4.820 3.709 3.334 4.202 . 0 0 "[ . 1 . 2]" 1
447 1 38 GLU HA 1 42 ALA H 5.030 . 5.030 4.361 3.761 4.815 . 0 0 "[ . 1 . 2]" 1
448 1 38 GLU HB2 1 39 ARG H 4.250 . 4.250 3.522 2.557 4.048 . 0 0 "[ . 1 . 2]" 1
449 1 38 GLU HB3 1 39 ARG H 4.250 . 4.250 3.755 2.432 4.324 0.074 1 0 "[ . 1 . 2]" 1
450 1 38 GLU QG 1 39 ARG H 5.040 . 5.040 3.154 2.013 4.091 . 0 0 "[ . 1 . 2]" 1
451 1 38 GLU QG 1 39 ARG QD 5.710 . 5.710 5.653 5.082 5.990 0.280 17 0 "[ . 1 . 2]" 1
452 1 39 ARG H 1 39 ARG QB 3.030 . 3.030 2.498 2.150 2.760 . 0 0 "[ . 1 . 2]" 1
453 1 39 ARG H 1 39 ARG QD 5.460 . 5.460 3.903 2.288 4.417 . 0 0 "[ . 1 . 2]" 1
454 1 39 ARG H 1 39 ARG QG 4.120 . 4.120 2.746 1.792 4.068 . 0 0 "[ . 1 . 2]" 1
455 1 39 ARG H 1 40 LEU H 3.810 . 3.810 2.585 2.433 2.828 . 0 0 "[ . 1 . 2]" 1
456 1 39 ARG H 1 40 LEU MD1 6.300 . 6.300 5.289 5.066 5.659 . 0 0 "[ . 1 . 2]" 1
457 1 39 ARG H 1 40 LEU MD2 6.300 . 6.300 5.007 4.754 5.532 . 0 0 "[ . 1 . 2]" 1
458 1 39 ARG HA 1 39 ARG QD 4.550 . 4.550 4.276 3.331 4.601 0.051 9 0 "[ . 1 . 2]" 1
459 1 39 ARG HA 1 39 ARG HG2 4.260 . 4.260 3.574 2.530 3.863 . 0 0 "[ . 1 . 2]" 1
460 1 39 ARG HA 1 39 ARG QG 3.570 . 3.570 3.191 2.489 3.477 . 0 0 "[ . 1 . 2]" 1
461 1 39 ARG HA 1 39 ARG HG3 4.260 . 4.260 3.702 2.692 4.264 0.004 18 0 "[ . 1 . 2]" 1
462 1 39 ARG HA 1 42 ALA MB 3.920 . 3.920 2.649 2.075 2.934 . 0 0 "[ . 1 . 2]" 1
463 1 39 ARG HA 1 43 GLN H 6.080 . 6.080 4.439 4.004 4.911 . 0 0 "[ . 1 . 2]" 1
464 1 39 ARG QB 1 39 ARG QD 2.720 . 2.720 2.321 2.120 2.767 0.047 18 0 "[ . 1 . 2]" 1
465 1 39 ARG QB 1 40 LEU H 4.710 . 4.710 3.307 2.462 3.677 . 0 0 "[ . 1 . 2]" 1
466 1 39 ARG QD 1 40 LEU H 5.900 . 5.900 4.052 2.081 4.571 . 0 0 "[ . 1 . 2]" 1
467 1 39 ARG QD 1 40 LEU MD2 3.800 . 3.800 3.557 2.695 3.897 0.097 10 0 "[ . 1 . 2]" 1
468 1 39 ARG QG 1 40 LEU H 4.900 . 4.900 2.787 2.272 4.342 . 0 0 "[ . 1 . 2]" 1
469 1 40 LEU H 1 40 LEU QB 3.820 . 3.820 2.525 2.456 2.634 . 0 0 "[ . 1 . 2]" 1
470 1 40 LEU H 1 40 LEU MD1 4.340 . 4.340 3.713 3.609 3.872 . 0 0 "[ . 1 . 2]" 1
471 1 40 LEU H 1 40 LEU MD2 4.480 . 4.480 3.166 2.867 3.432 . 0 0 "[ . 1 . 2]" 1
472 1 40 LEU H 1 40 LEU HG 3.180 . 3.180 2.270 2.118 2.400 . 0 0 "[ . 1 . 2]" 1
473 1 40 LEU H 1 41 SER H 3.840 . 3.840 2.708 2.619 2.799 . 0 0 "[ . 1 . 2]" 1
474 1 40 LEU H 1 42 ALA MB 6.300 . 6.300 4.731 4.513 4.952 . 0 0 "[ . 1 . 2]" 1
475 1 40 LEU HA 1 40 LEU MD1 4.590 . 4.590 3.927 3.893 3.987 . 0 0 "[ . 1 . 2]" 1
476 1 40 LEU HA 1 40 LEU MD2 3.200 . 3.200 2.123 2.051 2.230 . 0 0 "[ . 1 . 2]" 1
477 1 40 LEU HA 1 42 ALA H 5.470 . 5.470 4.422 4.267 4.568 . 0 0 "[ . 1 . 2]" 1
478 1 40 LEU QB 1 41 SER H 3.550 . 3.550 2.428 2.165 2.630 . 0 0 "[ . 1 . 2]" 1
479 1 40 LEU QB 1 41 SER QB 5.350 . 5.350 3.887 3.532 4.159 . 0 0 "[ . 1 . 2]" 1
480 1 40 LEU QB 1 44 ILE MD 5.020 . 5.020 3.270 2.522 3.940 . 0 0 "[ . 1 . 2]" 1
481 1 40 LEU QB 1 82 VAL MG1 5.120 . 5.120 3.157 2.661 3.687 . 0 0 "[ . 1 . 2]" 1
482 1 40 LEU HB2 1 41 SER H 4.220 . 4.220 2.471 2.189 2.691 . 0 0 "[ . 1 . 2]" 1
483 1 40 LEU HB3 1 41 SER H 4.220 . 4.220 3.575 3.443 3.785 . 0 0 "[ . 1 . 2]" 1
484 1 40 LEU MD1 1 41 SER H 5.280 . 5.280 4.465 4.132 4.656 . 0 0 "[ . 1 . 2]" 1
485 1 40 LEU MD1 1 85 GLY H 6.300 . 6.300 4.799 4.176 5.740 . 0 0 "[ . 1 . 2]" 1
486 1 40 LEU MD2 1 41 SER H 5.730 . 5.730 4.629 4.479 4.732 . 0 0 "[ . 1 . 2]" 1
487 1 40 LEU MD2 1 43 GLN QB 5.570 . 5.570 4.101 3.561 5.125 . 0 0 "[ . 1 . 2]" 1
488 1 40 LEU MD2 1 43 GLN QE 6.100 . 6.100 3.945 2.171 5.842 . 0 0 "[ . 1 . 2]" 1
489 1 40 LEU MD2 1 82 VAL HB 6.300 . 6.300 6.011 5.176 6.453 0.153 20 0 "[ . 1 . 2]" 1
490 1 40 LEU MD2 1 85 GLY H 6.300 . 6.300 5.365 4.800 6.006 . 0 0 "[ . 1 . 2]" 1
491 1 40 LEU MD2 1 85 GLY QA 6.100 . 6.100 4.462 3.303 5.223 . 0 0 "[ . 1 . 2]" 1
492 1 40 LEU MD2 1 89 PRO QG 4.640 . 4.640 2.877 2.104 3.789 . 0 0 "[ . 1 . 2]" 1
493 1 41 SER H 1 41 SER HB2 4.060 . 4.060 3.101 2.549 3.623 . 0 0 "[ . 1 . 2]" 1
494 1 41 SER H 1 41 SER QB 3.310 . 3.310 2.368 2.215 2.538 . 0 0 "[ . 1 . 2]" 1
495 1 41 SER H 1 41 SER HB3 4.060 . 4.060 2.503 2.402 2.593 . 0 0 "[ . 1 . 2]" 1
496 1 41 SER H 1 41 SER HG 4.440 . 4.440 3.730 2.603 4.476 0.036 18 0 "[ . 1 . 2]" 1
497 1 41 SER H 1 42 ALA H 3.850 . 3.850 2.742 2.532 2.840 . 0 0 "[ . 1 . 2]" 1
498 1 41 SER HA 1 44 ILE H 5.610 . 5.610 3.414 3.135 3.906 . 0 0 "[ . 1 . 2]" 1
499 1 41 SER HA 1 44 ILE HB 4.570 . 4.570 2.662 2.047 3.301 . 0 0 "[ . 1 . 2]" 1
500 1 41 SER HA 1 44 ILE MD 3.810 . 3.810 2.215 1.877 3.067 . 0 0 "[ . 1 . 2]" 1
501 1 41 SER QB 1 42 ALA H 3.590 . 3.590 3.066 2.479 3.542 . 0 0 "[ . 1 . 2]" 1
502 1 41 SER QB 1 44 ILE MD 4.910 . 4.910 3.595 3.167 4.599 . 0 0 "[ . 1 . 2]" 1
503 1 42 ALA H 1 42 ALA MB 3.280 . 3.280 2.247 2.232 2.287 . 0 0 "[ . 1 . 2]" 1
504 1 42 ALA H 1 43 GLN H 3.930 . 3.930 2.727 2.638 2.895 . 0 0 "[ . 1 . 2]" 1
505 1 42 ALA MB 1 43 GLN H 4.090 . 4.090 2.597 2.236 2.766 . 0 0 "[ . 1 . 2]" 1
506 1 42 ALA MB 1 43 GLN QG 4.850 . 4.850 3.345 2.918 5.045 0.195 10 0 "[ . 1 . 2]" 1
507 1 43 GLN H 1 43 GLN HB2 4.290 . 4.290 2.493 2.370 2.670 . 0 0 "[ . 1 . 2]" 1
508 1 43 GLN H 1 43 GLN QB 3.770 . 3.770 2.443 2.299 2.607 . 0 0 "[ . 1 . 2]" 1
509 1 43 GLN H 1 43 GLN HB3 4.290 . 4.290 3.578 2.690 3.652 . 0 0 "[ . 1 . 2]" 1
510 1 43 GLN H 1 43 GLN HG2 4.580 . 4.580 3.395 2.173 4.531 . 0 0 "[ . 1 . 2]" 1
511 1 43 GLN H 1 43 GLN QG 3.840 . 3.840 2.448 2.136 3.997 0.157 10 0 "[ . 1 . 2]" 1
512 1 43 GLN H 1 43 GLN HG3 4.580 . 4.580 2.798 2.154 4.445 . 0 0 "[ . 1 . 2]" 1
513 1 43 GLN H 1 44 ILE H 4.040 . 4.040 2.635 2.497 2.788 . 0 0 "[ . 1 . 2]" 1
514 1 43 GLN HA 1 43 GLN HG2 4.450 . 4.450 2.814 2.488 3.731 . 0 0 "[ . 1 . 2]" 1
515 1 43 GLN HA 1 43 GLN QG 3.620 . 3.620 2.595 2.379 3.164 . 0 0 "[ . 1 . 2]" 1
516 1 43 GLN HA 1 43 GLN HG3 4.450 . 4.450 3.164 2.533 3.889 . 0 0 "[ . 1 . 2]" 1
517 1 43 GLN HA 1 46 GLU H 5.850 . 5.850 3.540 3.055 3.970 . 0 0 "[ . 1 . 2]" 1
518 1 43 GLN QB 1 44 ILE H 4.290 . 4.290 2.743 2.461 3.015 . 0 0 "[ . 1 . 2]" 1
519 1 43 GLN QB 1 46 GLU H 6.100 . 6.100 5.070 4.677 5.513 . 0 0 "[ . 1 . 2]" 1
520 1 43 GLN QG 1 44 ILE H 5.310 . 5.310 4.210 3.973 4.705 . 0 0 "[ . 1 . 2]" 1
521 1 44 ILE H 1 44 ILE HB 3.550 . 3.550 2.551 2.407 2.633 . 0 0 "[ . 1 . 2]" 1
522 1 44 ILE H 1 44 ILE MD 3.820 . 3.820 3.394 2.017 3.683 . 0 0 "[ . 1 . 2]" 1
523 1 44 ILE H 1 44 ILE HG12 4.300 . 4.300 3.567 3.352 4.154 . 0 0 "[ . 1 . 2]" 1
524 1 44 ILE H 1 44 ILE HG13 4.300 . 4.300 2.393 2.073 3.675 . 0 0 "[ . 1 . 2]" 1
525 1 44 ILE H 1 45 GLU H 4.550 . 4.550 2.647 2.514 2.794 . 0 0 "[ . 1 . 2]" 1
526 1 44 ILE H 1 89 PRO HA 5.480 . 5.480 4.763 4.415 5.239 . 0 0 "[ . 1 . 2]" 1
527 1 44 ILE HA 1 89 PRO QB 4.350 . 4.350 3.190 2.364 3.907 . 0 0 "[ . 1 . 2]" 1
528 1 44 ILE HA 1 92 ILE MG 5.150 . 5.150 3.859 3.213 4.836 . 0 0 "[ . 1 . 2]" 1
529 1 44 ILE HA 1 93 ALA MB 5.520 . 5.520 2.613 1.903 3.284 . 0 0 "[ . 1 . 2]" 1
530 1 44 ILE HB 1 44 ILE MD 3.730 . 3.730 2.462 2.339 2.509 . 0 0 "[ . 1 . 2]" 1
531 1 44 ILE HB 1 45 GLU H 4.290 . 4.290 2.609 2.397 2.843 . 0 0 "[ . 1 . 2]" 1
532 1 44 ILE HB 1 92 ILE MG 5.010 . 5.010 4.513 4.139 4.977 . 0 0 "[ . 1 . 2]" 1
533 1 44 ILE MD 1 45 GLU H 5.940 . 5.940 4.515 3.824 4.848 . 0 0 "[ . 1 . 2]" 1
534 1 44 ILE MD 1 89 PRO HA 4.440 . 4.440 3.275 2.156 4.045 . 0 0 "[ . 1 . 2]" 1
535 1 44 ILE MD 1 92 ILE QG 5.600 . 5.600 3.475 2.493 4.880 . 0 0 "[ . 1 . 2]" 1
536 1 44 ILE MD 1 92 ILE MG 3.710 . 3.710 2.461 1.973 3.120 . 0 0 "[ . 1 . 2]" 1
537 1 44 ILE QG 1 89 PRO HA 4.400 . 4.400 2.458 1.988 2.932 . 0 0 "[ . 1 . 2]" 1
538 1 44 ILE QG 1 92 ILE MG 4.220 . 4.220 2.269 1.917 2.877 . 0 0 "[ . 1 . 2]" 1
539 1 44 ILE QG 1 93 ALA MB 5.350 . 5.350 3.442 2.644 4.398 . 0 0 "[ . 1 . 2]" 1
540 1 44 ILE MG 1 45 GLU H 4.050 . 4.050 3.421 3.146 3.677 . 0 0 "[ . 1 . 2]" 1
541 1 44 ILE MG 1 45 GLU HA 5.350 . 5.350 3.412 3.074 3.690 . 0 0 "[ . 1 . 2]" 1
542 1 44 ILE MG 1 48 ILE H 5.750 . 5.750 4.104 3.520 4.692 . 0 0 "[ . 1 . 2]" 1
543 1 44 ILE MG 1 89 PRO HA 4.990 . 4.990 4.395 3.480 5.018 0.028 3 0 "[ . 1 . 2]" 1
544 1 44 ILE MG 1 92 ILE QG 5.660 . 5.660 3.793 2.629 4.737 . 0 0 "[ . 1 . 2]" 1
545 1 44 ILE MG 1 92 ILE MG 3.490 . 3.490 2.732 1.968 3.370 . 0 0 "[ . 1 . 2]" 1
546 1 44 ILE MG 1 93 ALA H 4.470 . 4.470 3.721 3.200 4.141 . 0 0 "[ . 1 . 2]" 1
547 1 44 ILE MG 1 93 ALA HA 4.850 . 4.850 2.832 1.876 3.307 . 0 0 "[ . 1 . 2]" 1
548 1 44 ILE MG 1 93 ALA MB 3.640 . 3.640 2.234 1.873 2.779 . 0 0 "[ . 1 . 2]" 1
549 1 45 GLU H 1 45 GLU HB2 4.380 . 4.380 2.612 2.269 3.658 . 0 0 "[ . 1 . 2]" 1
550 1 45 GLU H 1 45 GLU QB 3.820 . 3.820 2.295 2.174 2.616 . 0 0 "[ . 1 . 2]" 1
551 1 45 GLU H 1 45 GLU HB3 4.380 . 4.380 2.716 2.347 3.643 . 0 0 "[ . 1 . 2]" 1
552 1 45 GLU H 1 46 GLU H 4.580 . 4.580 2.820 2.601 2.975 . 0 0 "[ . 1 . 2]" 1
553 1 45 GLU H 1 46 GLU QG 5.280 . 5.280 4.383 3.945 5.348 0.068 8 0 "[ . 1 . 2]" 1
554 1 45 GLU HA 1 46 GLU QG 5.910 . 5.910 5.430 4.990 6.068 0.158 8 0 "[ . 1 . 2]" 1
555 1 45 GLU HA 1 48 ILE HB 4.910 . 4.910 4.407 4.120 4.654 . 0 0 "[ . 1 . 2]" 1
556 1 45 GLU HA 1 48 ILE MD 4.970 . 4.970 4.610 4.282 4.892 . 0 0 "[ . 1 . 2]" 1
557 1 45 GLU HA 1 48 ILE MG 4.710 . 4.710 2.079 1.802 2.481 . 0 0 "[ . 1 . 2]" 1
558 1 45 GLU HA 1 49 PHE H 5.280 . 5.280 4.097 3.463 4.565 . 0 0 "[ . 1 . 2]" 1
559 1 45 GLU QB 1 46 GLU H 4.330 . 4.330 2.696 2.397 3.692 . 0 0 "[ . 1 . 2]" 1
560 1 46 GLU H 1 46 GLU QB 3.590 . 3.590 2.513 2.082 2.867 . 0 0 "[ . 1 . 2]" 1
561 1 46 GLU H 1 46 GLU QG 3.580 . 3.580 2.332 1.945 3.319 . 0 0 "[ . 1 . 2]" 1
562 1 46 GLU H 1 47 CYS H 4.290 . 4.290 2.729 2.510 2.883 . 0 0 "[ . 1 . 2]" 1
563 1 46 GLU HA 1 48 ILE H 5.370 . 5.370 4.721 4.427 5.060 . 0 0 "[ . 1 . 2]" 1
564 1 46 GLU QB 1 47 CYS H 3.660 . 3.660 3.199 2.409 3.619 . 0 0 "[ . 1 . 2]" 1
565 1 46 GLU QG 1 47 CYS H 4.940 . 4.940 3.072 2.033 4.734 . 0 0 "[ . 1 . 2]" 1
566 1 47 CYS H 1 47 CYS QB 3.710 . 3.710 2.423 2.270 2.491 . 0 0 "[ . 1 . 2]" 1
567 1 47 CYS H 1 48 ILE H 4.240 . 4.240 2.723 2.614 2.864 . 0 0 "[ . 1 . 2]" 1
568 1 47 CYS H 1 93 ALA MB 5.220 . 5.220 4.061 3.485 4.688 . 0 0 "[ . 1 . 2]" 1
569 1 47 CYS HA 1 50 ARG H 4.630 . 4.630 4.035 3.489 4.581 . 0 0 "[ . 1 . 2]" 1
570 1 47 CYS HA 1 50 ARG QB 4.710 . 4.710 4.003 2.960 4.747 0.037 12 0 "[ . 1 . 2]" 1
571 1 47 CYS HA 1 50 ARG QG 4.880 . 4.880 3.246 2.445 4.456 . 0 0 "[ . 1 . 2]" 1
572 1 47 CYS HA 1 93 ALA MB 5.500 . 5.500 4.475 4.167 4.871 . 0 0 "[ . 1 . 2]" 1
573 1 47 CYS QB 1 90 GLN HA 4.630 . 4.630 2.771 1.967 3.668 . 0 0 "[ . 1 . 2]" 1
574 1 47 CYS QB 1 94 VAL MG1 4.680 . 4.680 3.288 2.226 3.939 . 0 0 "[ . 1 . 2]" 1
575 1 47 CYS HB2 1 48 ILE H 5.790 . 5.790 2.796 2.430 3.946 . 0 0 "[ . 1 . 2]" 1
576 1 47 CYS HB2 1 90 GLN HA 5.370 . 5.370 3.216 2.421 4.164 . 0 0 "[ . 1 . 2]" 1
577 1 47 CYS HB2 1 93 ALA MB 4.450 . 4.450 2.462 1.969 3.426 . 0 0 "[ . 1 . 2]" 1
578 1 47 CYS HB3 1 48 ILE H 5.790 . 5.790 3.446 2.453 3.860 . 0 0 "[ . 1 . 2]" 1
579 1 47 CYS HB3 1 90 GLN HA 5.370 . 5.370 3.127 2.019 4.166 . 0 0 "[ . 1 . 2]" 1
580 1 47 CYS HB3 1 93 ALA MB 4.450 . 4.450 2.671 2.229 3.017 . 0 0 "[ . 1 . 2]" 1
581 1 48 ILE H 1 48 ILE HB 3.710 . 3.710 2.599 2.472 2.691 . 0 0 "[ . 1 . 2]" 1
582 1 48 ILE H 1 48 ILE MD 4.850 . 4.850 4.516 4.465 4.560 . 0 0 "[ . 1 . 2]" 1
583 1 48 ILE H 1 48 ILE QG 4.860 . 4.860 4.066 4.028 4.092 . 0 0 "[ . 1 . 2]" 1
584 1 48 ILE H 1 49 PHE H 4.640 . 4.640 2.542 2.338 2.671 . 0 0 "[ . 1 . 2]" 1
585 1 48 ILE H 1 93 ALA MB 4.910 . 4.910 2.968 2.494 3.747 . 0 0 "[ . 1 . 2]" 1
586 1 48 ILE HA 1 50 ARG H 5.440 . 5.440 4.079 3.844 4.358 . 0 0 "[ . 1 . 2]" 1
587 1 48 ILE HA 1 51 ASP H 6.140 . 6.140 3.858 3.163 4.493 . 0 0 "[ . 1 . 2]" 1
588 1 48 ILE HA 1 93 ALA MB 4.790 . 4.790 3.512 2.628 4.166 . 0 0 "[ . 1 . 2]" 1
589 1 48 ILE HB 1 48 ILE MD 3.730 . 3.730 2.496 2.438 2.590 . 0 0 "[ . 1 . 2]" 1
590 1 48 ILE HB 1 49 PHE H 4.240 . 4.240 4.126 4.015 4.232 . 0 0 "[ . 1 . 2]" 1
591 1 48 ILE HB 1 52 VAL MG2 5.260 . 5.260 4.590 4.393 4.878 . 0 0 "[ . 1 . 2]" 1
592 1 48 ILE HB 1 93 ALA HA 5.240 . 5.240 3.822 3.070 5.009 . 0 0 "[ . 1 . 2]" 1
593 1 48 ILE HB 1 93 ALA MB 4.820 . 4.820 2.493 1.711 3.273 . 0 0 "[ . 1 . 2]" 1
594 1 48 ILE MD 1 48 ILE MG 3.950 . 3.950 2.005 1.965 2.047 . 0 0 "[ . 1 . 2]" 1
595 1 48 ILE MD 1 63 VAL HA 4.770 . 4.770 3.662 2.361 4.780 0.010 4 0 "[ . 1 . 2]" 1
596 1 48 ILE MD 1 66 ARG QG 5.480 . 5.480 3.815 2.295 5.348 . 0 0 "[ . 1 . 2]" 1
597 1 48 ILE MD 1 93 ALA HA 5.020 . 5.020 4.063 3.110 5.054 0.034 7 0 "[ . 1 . 2]" 1
598 1 48 ILE MD 1 93 ALA MB 4.770 . 4.770 3.908 3.381 4.521 . 0 0 "[ . 1 . 2]" 1
599 1 48 ILE QG 1 52 VAL HB 6.160 . 6.160 2.375 1.834 4.457 . 0 0 "[ . 1 . 2]" 1
600 1 48 ILE MG 1 49 PHE H 5.010 . 5.010 2.504 2.326 2.635 . 0 0 "[ . 1 . 2]" 1
601 1 48 ILE MG 1 49 PHE HA 3.900 . 3.900 3.339 3.205 3.582 . 0 0 "[ . 1 . 2]" 1
602 1 48 ILE MG 1 59 TYR QD 5.720 . 5.720 4.051 3.446 4.447 . 0 0 "[ . 1 . 2]" 1
603 1 48 ILE MG 1 59 TYR QE 4.260 . 4.260 2.853 1.846 3.719 . 0 0 "[ . 1 . 2]" 1
604 1 49 PHE H 1 49 PHE HB2 4.380 . 4.380 2.534 2.415 2.661 . 0 0 "[ . 1 . 2]" 1
605 1 49 PHE H 1 49 PHE QD 4.510 . 4.510 4.246 4.190 4.288 . 0 0 "[ . 1 . 2]" 1
606 1 49 PHE H 1 50 ARG H 4.390 . 4.390 2.688 2.577 2.796 . 0 0 "[ . 1 . 2]" 1
607 1 49 PHE HA 1 49 PHE QD 4.340 . 4.340 2.738 2.462 3.017 . 0 0 "[ . 1 . 2]" 1
608 1 49 PHE HA 1 52 VAL MG1 6.230 . 6.230 5.081 4.047 6.216 . 0 0 "[ . 1 . 2]" 1
609 1 49 PHE HA 1 52 VAL MG2 5.260 . 5.260 5.014 3.973 5.463 0.203 10 0 "[ . 1 . 2]" 1
610 1 49 PHE HA 1 59 TYR QD 5.940 . 5.940 4.338 3.557 5.496 . 0 0 "[ . 1 . 2]" 1
611 1 49 PHE HA 1 59 TYR QE 6.290 . 6.290 3.620 2.439 4.872 . 0 0 "[ . 1 . 2]" 1
612 1 49 PHE HB2 1 50 ARG H 6.020 . 6.020 4.087 3.870 4.212 . 0 0 "[ . 1 . 2]" 1
613 1 49 PHE HB3 1 50 ARG H 4.760 . 4.760 2.968 2.725 3.112 . 0 0 "[ . 1 . 2]" 1
614 1 49 PHE QD 1 50 ARG H 4.800 . 4.800 4.067 3.616 4.417 . 0 0 "[ . 1 . 2]" 1
615 1 49 PHE QD 1 50 ARG HA 5.880 . 5.880 3.852 3.302 4.433 . 0 0 "[ . 1 . 2]" 1
616 1 49 PHE QD 1 50 ARG QD 5.700 . 5.700 4.445 2.198 5.853 0.153 1 0 "[ . 1 . 2]" 1
617 1 49 PHE QD 1 50 ARG QG 4.620 . 4.620 4.046 3.226 4.763 0.143 12 0 "[ . 1 . 2]" 1
618 1 49 PHE QD 1 55 THR MG 5.570 . 5.570 4.702 3.649 5.580 0.010 12 0 "[ . 1 . 2]" 1
619 1 49 PHE QE 1 55 THR MG 4.250 . 4.250 3.633 2.388 4.327 0.077 18 0 "[ . 1 . 2]" 1
620 1 50 ARG H 1 50 ARG QB 3.740 . 3.740 2.482 2.310 2.627 . 0 0 "[ . 1 . 2]" 1
621 1 50 ARG H 1 50 ARG QD 5.210 . 5.210 3.694 2.947 4.431 . 0 0 "[ . 1 . 2]" 1
622 1 50 ARG H 1 50 ARG HG2 4.140 . 4.140 2.802 1.981 3.847 . 0 0 "[ . 1 . 2]" 1
623 1 50 ARG H 1 50 ARG QG 3.290 . 3.290 2.234 1.896 2.639 . 0 0 "[ . 1 . 2]" 1
624 1 50 ARG H 1 50 ARG HG3 4.140 . 4.140 3.047 1.912 3.844 . 0 0 "[ . 1 . 2]" 1
625 1 50 ARG H 1 51 ASP H 3.900 . 3.900 2.800 2.543 3.162 . 0 0 "[ . 1 . 2]" 1
626 1 50 ARG H 1 53 GLY QA 5.420 . 5.420 4.851 4.569 5.130 . 0 0 "[ . 1 . 2]" 1
627 1 50 ARG HA 1 50 ARG QD 4.430 . 4.430 3.116 2.024 4.321 . 0 0 "[ . 1 . 2]" 1
628 1 50 ARG HA 1 50 ARG QG 3.870 . 3.870 2.776 2.346 3.163 . 0 0 "[ . 1 . 2]" 1
629 1 50 ARG HA 1 53 GLY H 5.080 . 5.080 4.686 4.089 5.106 0.026 18 0 "[ . 1 . 2]" 1
630 1 50 ARG QB 1 51 ASP H 3.930 . 3.930 2.517 2.065 3.114 . 0 0 "[ . 1 . 2]" 1
631 1 50 ARG HB2 1 51 ASP H 4.540 . 4.540 2.576 2.091 3.254 . 0 0 "[ . 1 . 2]" 1
632 1 50 ARG HB3 1 51 ASP H 4.540 . 4.540 3.587 3.201 3.991 . 0 0 "[ . 1 . 2]" 1
633 1 50 ARG QG 1 51 ASP H 5.510 . 5.510 4.078 3.775 4.463 . 0 0 "[ . 1 . 2]" 1
634 1 51 ASP H 1 51 ASP HB2 3.930 . 3.930 2.605 2.444 2.798 . 0 0 "[ . 1 . 2]" 1
635 1 51 ASP H 1 51 ASP QB 3.300 . 3.300 2.382 2.263 2.523 . 0 0 "[ . 1 . 2]" 1
636 1 51 ASP H 1 51 ASP HB3 3.930 . 3.930 3.069 2.441 3.662 . 0 0 "[ . 1 . 2]" 1
637 1 51 ASP H 1 52 VAL H 4.190 . 4.190 2.457 2.320 2.761 . 0 0 "[ . 1 . 2]" 1
638 1 51 ASP H 1 52 VAL MG2 4.660 . 4.660 3.851 3.569 4.179 . 0 0 "[ . 1 . 2]" 1
639 1 51 ASP QB 1 52 VAL H 4.430 . 4.430 2.470 2.289 2.918 . 0 0 "[ . 1 . 2]" 1
640 1 51 ASP QB 1 52 VAL MG2 5.060 . 5.060 2.380 2.142 2.886 . 0 0 "[ . 1 . 2]" 1
641 1 51 ASP HB2 1 52 VAL H 5.040 . 5.040 3.161 2.326 4.108 . 0 0 "[ . 1 . 2]" 1
642 1 51 ASP HB3 1 52 VAL H 5.040 . 5.040 3.060 2.336 3.786 . 0 0 "[ . 1 . 2]" 1
643 1 52 VAL H 1 52 VAL HB 4.230 . 4.230 2.700 2.378 3.769 . 0 0 "[ . 1 . 2]" 1
644 1 52 VAL H 1 52 VAL MG1 4.790 . 4.790 3.814 2.806 3.960 . 0 0 "[ . 1 . 2]" 1
645 1 52 VAL H 1 52 VAL MG2 3.630 . 3.630 2.277 2.070 2.659 . 0 0 "[ . 1 . 2]" 1
646 1 52 VAL H 1 53 GLY H 4.050 . 4.050 2.325 2.072 2.661 . 0 0 "[ . 1 . 2]" 1
647 1 52 VAL H 1 58 LYS QE 6.100 . 6.100 5.675 4.292 6.346 0.246 18 0 "[ . 1 . 2]" 1
648 1 52 VAL HA 1 52 VAL MG2 3.720 . 3.720 2.560 2.350 3.262 . 0 0 "[ . 1 . 2]" 1
649 1 52 VAL HA 1 58 LYS QE 5.180 . 5.180 3.493 1.662 4.760 . 0 0 "[ . 1 . 2]" 1
650 1 52 VAL HB 1 53 GLY H 5.510 . 5.510 3.398 2.783 4.210 . 0 0 "[ . 1 . 2]" 1
651 1 52 VAL HB 1 54 ASN H 5.300 . 5.300 5.134 4.968 5.410 0.110 1 0 "[ . 1 . 2]" 1
652 1 52 VAL HB 1 59 TYR QD 5.650 . 5.650 2.968 2.032 3.739 . 0 0 "[ . 1 . 2]" 1
653 1 52 VAL MG1 1 53 GLY H 5.270 . 5.270 4.069 3.662 4.330 . 0 0 "[ . 1 . 2]" 1
654 1 52 VAL MG1 1 54 ASN H 5.440 . 5.440 4.330 4.070 5.279 . 0 0 "[ . 1 . 2]" 1
655 1 52 VAL MG1 1 54 ASN QD 4.170 . 4.170 3.984 2.799 4.428 0.258 20 0 "[ . 1 . 2]" 1
656 1 52 VAL MG1 1 58 LYS HA 6.300 . 6.300 4.534 4.105 4.924 . 0 0 "[ . 1 . 2]" 1
657 1 52 VAL MG1 1 58 LYS QB 3.910 . 3.910 3.193 2.607 3.757 . 0 0 "[ . 1 . 2]" 1
658 1 52 VAL MG1 1 58 LYS QD 4.040 . 4.040 2.637 1.588 3.729 . 0 0 "[ . 1 . 2]" 1
659 1 52 VAL MG1 1 58 LYS QE 4.870 . 4.870 2.991 1.750 4.869 . 0 0 "[ . 1 . 2]" 1
660 1 52 VAL MG1 1 58 LYS HG2 5.830 . 5.830 3.000 1.879 4.317 . 0 0 "[ . 1 . 2]" 1
661 1 52 VAL MG1 1 58 LYS QG 5.030 . 5.030 2.365 1.829 3.967 . 0 0 "[ . 1 . 2]" 1
662 1 52 VAL MG1 1 58 LYS HG3 5.830 . 5.830 3.056 1.836 4.625 . 0 0 "[ . 1 . 2]" 1
663 1 52 VAL MG1 1 59 TYR H 3.990 . 3.990 3.229 2.762 3.869 . 0 0 "[ . 1 . 2]" 1
664 1 52 VAL MG1 1 59 TYR HA 4.150 . 4.150 2.029 1.718 3.394 . 0 0 "[ . 1 . 2]" 1
665 1 52 VAL MG1 1 59 TYR HB2 4.740 . 4.740 2.486 1.815 3.670 . 0 0 "[ . 1 . 2]" 1
666 1 52 VAL MG1 1 59 TYR HB3 4.880 . 4.880 3.785 3.350 4.955 0.075 18 0 "[ . 1 . 2]" 1
667 1 52 VAL MG1 1 59 TYR QD 4.960 . 4.960 2.479 1.598 3.838 . 0 0 "[ . 1 . 2]" 1
668 1 52 VAL MG1 1 62 ARG QB 4.120 . 4.120 2.645 1.973 3.539 . 0 0 "[ . 1 . 2]" 1
669 1 52 VAL MG2 1 53 GLY H 5.250 . 5.250 3.965 2.864 4.226 . 0 0 "[ . 1 . 2]" 1
670 1 52 VAL MG2 1 54 ASN H 5.400 . 5.400 5.368 4.709 5.501 0.101 11 0 "[ . 1 . 2]" 1
671 1 52 VAL MG2 1 54 ASN QD 6.070 . 6.070 4.945 4.114 6.044 . 0 0 "[ . 1 . 2]" 1
672 1 52 VAL MG2 1 58 LYS QB 5.020 . 5.020 4.636 3.391 5.254 0.234 10 0 "[ . 1 . 2]" 1
673 1 52 VAL MG2 1 58 LYS QD 5.490 . 5.490 3.508 1.976 5.321 . 0 0 "[ . 1 . 2]" 1
674 1 52 VAL MG2 1 58 LYS QE 6.100 . 6.100 3.420 2.002 5.466 . 0 0 "[ . 1 . 2]" 1
675 1 52 VAL MG2 1 58 LYS QG 6.100 . 6.100 3.835 2.120 5.079 . 0 0 "[ . 1 . 2]" 1
676 1 52 VAL MG2 1 59 TYR HA 4.660 . 4.660 4.234 3.073 4.566 . 0 0 "[ . 1 . 2]" 1
677 1 52 VAL MG2 1 59 TYR HB2 5.400 . 5.400 4.981 3.400 5.492 0.092 20 0 "[ . 1 . 2]" 1
678 1 52 VAL MG2 1 59 TYR HB3 6.140 . 6.140 6.234 4.678 6.581 0.441 20 0 "[ . 1 . 2]" 1
679 1 52 VAL MG2 1 59 TYR QD 4.980 . 4.980 4.163 1.875 5.062 0.082 13 0 "[ . 1 . 2]" 1
680 1 52 VAL MG2 1 62 ARG QB 5.500 . 5.500 3.566 2.814 4.274 . 0 0 "[ . 1 . 2]" 1
681 1 53 GLY H 1 54 ASN H 4.250 . 4.250 3.088 2.809 3.210 . 0 0 "[ . 1 . 2]" 1
682 1 55 THR HA 1 59 TYR QD 3.930 . 3.930 2.637 1.884 3.657 . 0 0 "[ . 1 . 2]" 1
683 1 55 THR HA 1 60 LYS QE 5.030 . 5.030 3.941 2.747 5.015 . 0 0 "[ . 1 . 2]" 1
684 1 55 THR HB 1 59 TYR QD 6.300 . 6.300 3.855 3.138 5.424 . 0 0 "[ . 1 . 2]" 1
685 1 55 THR HB 1 59 TYR QE 6.300 . 6.300 4.857 3.993 6.202 . 0 0 "[ . 1 . 2]" 1
686 1 55 THR MG 1 59 TYR QD 5.830 . 5.830 3.306 2.075 4.988 . 0 0 "[ . 1 . 2]" 1
687 1 55 THR MG 1 59 TYR QE 6.300 . 6.300 3.481 2.397 5.446 . 0 0 "[ . 1 . 2]" 1
688 1 58 LYS HA 1 61 ASN QB 4.470 . 4.470 3.136 2.457 3.806 . 0 0 "[ . 1 . 2]" 1
689 1 59 TYR H 1 60 LYS H 4.510 . 4.510 2.768 2.593 2.939 . 0 0 "[ . 1 . 2]" 1
690 1 59 TYR HB2 1 60 LYS H 4.920 . 4.920 3.951 3.755 4.282 . 0 0 "[ . 1 . 2]" 1
691 1 59 TYR HB3 1 60 LYS H 4.940 . 4.940 2.681 2.424 3.109 . 0 0 "[ . 1 . 2]" 1
692 1 59 TYR QD 1 60 LYS H 4.400 . 4.400 3.842 3.331 4.410 0.010 1 0 "[ . 1 . 2]" 1
693 1 59 TYR QD 1 60 LYS HA 4.820 . 4.820 4.088 3.275 4.681 . 0 0 "[ . 1 . 2]" 1
694 1 59 TYR QD 1 60 LYS QE 5.120 . 5.120 3.362 2.354 4.443 . 0 0 "[ . 1 . 2]" 1
695 1 59 TYR QD 1 60 LYS QG 4.470 . 4.470 3.710 2.851 4.461 . 0 0 "[ . 1 . 2]" 1
696 1 59 TYR QD 1 63 VAL MG1 6.300 . 6.300 5.327 4.498 5.678 . 0 0 "[ . 1 . 2]" 1
697 1 59 TYR QD 1 63 VAL MG2 4.960 . 4.960 3.214 2.588 3.799 . 0 0 "[ . 1 . 2]" 1
698 1 59 TYR QE 1 63 VAL MG2 4.500 . 4.500 3.046 2.440 3.824 . 0 0 "[ . 1 . 2]" 1
699 1 60 LYS H 1 60 LYS QB 3.490 . 3.490 2.469 2.328 2.588 . 0 0 "[ . 1 . 2]" 1
700 1 60 LYS H 1 60 LYS QE 5.720 . 5.720 4.083 3.293 4.403 . 0 0 "[ . 1 . 2]" 1
701 1 60 LYS H 1 60 LYS QG 3.720 . 3.720 2.461 2.019 3.499 . 0 0 "[ . 1 . 2]" 1
702 1 60 LYS H 1 61 ASN H 4.790 . 4.790 2.743 2.465 2.885 . 0 0 "[ . 1 . 2]" 1
703 1 60 LYS HA 1 63 VAL H 5.150 . 5.150 4.020 3.686 4.696 . 0 0 "[ . 1 . 2]" 1
704 1 60 LYS HA 1 63 VAL HB 4.540 . 4.540 3.390 3.040 3.960 . 0 0 "[ . 1 . 2]" 1
705 1 60 LYS HA 1 63 VAL MG1 5.940 . 5.940 4.593 4.289 5.071 . 0 0 "[ . 1 . 2]" 1
706 1 60 LYS HA 1 63 VAL MG2 5.150 . 5.150 3.656 3.016 4.704 . 0 0 "[ . 1 . 2]" 1
707 1 60 LYS QB 1 61 ASN H 4.430 . 4.430 2.512 2.283 2.758 . 0 0 "[ . 1 . 2]" 1
708 1 61 ASN H 1 62 ARG H 4.600 . 4.600 2.638 2.508 2.777 . 0 0 "[ . 1 . 2]" 1
709 1 61 ASN H 1 62 ARG QB 4.820 . 4.820 4.468 4.284 4.848 0.028 4 0 "[ . 1 . 2]" 1
710 1 61 ASN HA 1 64 ARG H 4.910 . 4.910 3.658 3.276 4.079 . 0 0 "[ . 1 . 2]" 1
711 1 61 ASN HA 1 64 ARG QB 4.210 . 4.210 3.317 2.307 4.242 0.032 6 0 "[ . 1 . 2]" 1
712 1 61 ASN HA 1 64 ARG QD 4.770 . 4.770 3.142 2.026 4.881 0.111 14 0 "[ . 1 . 2]" 1
713 1 61 ASN HA 1 64 ARG HG2 4.550 . 4.550 3.571 1.915 4.800 0.250 17 0 "[ . 1 . 2]" 1
714 1 61 ASN HA 1 64 ARG HG3 4.550 . 4.550 3.260 2.550 3.635 . 0 0 "[ . 1 . 2]" 1
715 1 61 ASN QB 1 62 ARG QB 5.690 . 5.690 4.169 3.798 4.683 . 0 0 "[ . 1 . 2]" 1
716 1 61 ASN HB2 1 62 ARG H 5.030 . 5.030 3.366 2.418 4.071 . 0 0 "[ . 1 . 2]" 1
717 1 61 ASN HB3 1 62 ARG H 5.030 . 5.030 3.230 2.485 3.995 . 0 0 "[ . 1 . 2]" 1
718 1 62 ARG H 1 62 ARG QB 3.660 . 3.660 2.299 2.172 2.592 . 0 0 "[ . 1 . 2]" 1
719 1 62 ARG H 1 63 VAL H 4.450 . 4.450 2.691 2.520 2.867 . 0 0 "[ . 1 . 2]" 1
720 1 62 ARG H 1 63 VAL MG2 6.180 . 6.180 4.247 4.045 4.416 . 0 0 "[ . 1 . 2]" 1
721 1 62 ARG QB 1 63 VAL H 3.490 . 3.490 2.696 2.516 2.993 . 0 0 "[ . 1 . 2]" 1
722 1 63 VAL H 1 63 VAL HB 3.750 . 3.750 2.504 2.366 2.602 . 0 0 "[ . 1 . 2]" 1
723 1 63 VAL H 1 63 VAL MG1 3.970 . 3.970 3.822 3.773 3.844 . 0 0 "[ . 1 . 2]" 1
724 1 63 VAL H 1 63 VAL MG2 3.450 . 3.450 2.247 2.030 2.431 . 0 0 "[ . 1 . 2]" 1
725 1 63 VAL H 1 64 ARG H 3.780 . 3.780 2.776 2.672 2.872 . 0 0 "[ . 1 . 2]" 1
726 1 63 VAL HA 1 63 VAL MG2 3.710 . 3.710 2.387 2.329 2.460 . 0 0 "[ . 1 . 2]" 1
727 1 63 VAL HA 1 65 SER H 6.020 . 6.020 4.478 4.268 4.681 . 0 0 "[ . 1 . 2]" 1
728 1 63 VAL HA 1 66 ARG H 4.700 . 4.700 3.494 3.134 3.837 . 0 0 "[ . 1 . 2]" 1
729 1 63 VAL HA 1 66 ARG QB 4.790 . 4.790 2.741 2.150 3.233 . 0 0 "[ . 1 . 2]" 1
730 1 63 VAL HA 1 67 ILE MD 5.430 . 5.430 4.450 3.950 4.905 . 0 0 "[ . 1 . 2]" 1
731 1 63 VAL HB 1 64 ARG H 3.270 . 3.270 2.635 2.478 2.784 . 0 0 "[ . 1 . 2]" 1
732 1 63 VAL MG1 1 64 ARG H 3.940 . 3.940 3.317 3.111 3.541 . 0 0 "[ . 1 . 2]" 1
733 1 63 VAL MG1 1 64 ARG HA 4.660 . 4.660 3.444 3.204 3.784 . 0 0 "[ . 1 . 2]" 1
734 1 63 VAL MG1 1 66 ARG H 5.840 . 5.840 4.737 4.488 5.051 . 0 0 "[ . 1 . 2]" 1
735 1 63 VAL MG1 1 67 ILE QG 5.090 . 5.090 2.816 2.503 3.205 . 0 0 "[ . 1 . 2]" 1
736 1 63 VAL MG2 1 64 ARG H 4.080 . 4.080 3.962 3.807 4.063 . 0 0 "[ . 1 . 2]" 1
737 1 64 ARG H 1 64 ARG QB 3.450 . 3.450 2.530 2.399 2.658 . 0 0 "[ . 1 . 2]" 1
738 1 64 ARG H 1 64 ARG QD 4.940 . 4.940 4.021 3.345 4.365 . 0 0 "[ . 1 . 2]" 1
739 1 64 ARG H 1 64 ARG HG2 4.620 . 4.620 2.868 2.163 3.678 . 0 0 "[ . 1 . 2]" 1
740 1 64 ARG H 1 64 ARG QG 3.940 . 3.940 2.260 2.088 2.458 . 0 0 "[ . 1 . 2]" 1
741 1 64 ARG H 1 64 ARG HG3 4.620 . 4.620 2.832 2.114 3.697 . 0 0 "[ . 1 . 2]" 1
742 1 64 ARG HA 1 64 ARG HG2 4.190 . 4.190 3.128 2.417 3.906 . 0 0 "[ . 1 . 2]" 1
743 1 64 ARG HA 1 64 ARG HG3 4.190 . 4.190 3.477 2.886 3.825 . 0 0 "[ . 1 . 2]" 1
744 1 64 ARG HA 1 67 ILE HB 5.130 . 5.130 2.944 2.267 3.818 . 0 0 "[ . 1 . 2]" 1
745 1 64 ARG HA 1 67 ILE MD 3.720 . 3.720 2.277 1.678 3.728 0.008 18 0 "[ . 1 . 2]" 1
746 1 64 ARG HA 1 67 ILE QG 5.270 . 5.270 3.288 2.072 4.680 . 0 0 "[ . 1 . 2]" 1
747 1 64 ARG QB 1 64 ARG QD 3.140 . 3.140 2.365 2.155 2.877 . 0 0 "[ . 1 . 2]" 1
748 1 64 ARG QB 1 65 SER H 3.690 . 3.690 2.984 2.403 3.635 . 0 0 "[ . 1 . 2]" 1
749 1 64 ARG QD 1 65 SER H 6.300 . 6.300 4.863 4.210 5.550 . 0 0 "[ . 1 . 2]" 1
750 1 64 ARG QG 1 65 SER H 4.870 . 4.870 3.405 2.268 4.234 . 0 0 "[ . 1 . 2]" 1
751 1 65 SER H 1 65 SER HB2 4.300 . 4.300 2.585 2.473 2.707 . 0 0 "[ . 1 . 2]" 1
752 1 65 SER H 1 65 SER QB 3.620 . 3.620 2.368 2.233 2.561 . 0 0 "[ . 1 . 2]" 1
753 1 65 SER H 1 65 SER HB3 4.300 . 4.300 3.005 2.420 3.645 . 0 0 "[ . 1 . 2]" 1
754 1 65 SER H 1 66 ARG H 4.120 . 4.120 2.663 2.491 2.811 . 0 0 "[ . 1 . 2]" 1
755 1 65 SER HA 1 68 SER H 4.870 . 4.870 3.680 3.258 4.353 . 0 0 "[ . 1 . 2]" 1
756 1 65 SER HA 1 68 SER QB 4.730 . 4.730 2.984 2.240 4.245 . 0 0 "[ . 1 . 2]" 1
757 1 66 ARG H 1 66 ARG QB 3.540 . 3.540 2.299 2.126 2.559 . 0 0 "[ . 1 . 2]" 1
758 1 66 ARG H 1 66 ARG QG 4.830 . 4.830 3.560 2.279 4.133 . 0 0 "[ . 1 . 2]" 1
759 1 66 ARG H 1 67 ILE H 4.110 . 4.110 2.715 2.524 2.851 . 0 0 "[ . 1 . 2]" 1
760 1 66 ARG H 1 67 ILE MD 6.300 . 6.300 5.010 4.394 5.303 . 0 0 "[ . 1 . 2]" 1
761 1 66 ARG H 1 67 ILE QG 4.920 . 4.920 4.197 3.999 4.410 . 0 0 "[ . 1 . 2]" 1
762 1 67 ILE H 1 67 ILE MD 4.200 . 4.200 3.410 2.515 3.564 . 0 0 "[ . 1 . 2]" 1
763 1 67 ILE H 1 67 ILE QG 3.520 . 3.520 2.053 1.897 2.216 . 0 0 "[ . 1 . 2]" 1
764 1 67 ILE H 1 67 ILE MG 4.550 . 4.550 3.816 3.773 3.846 . 0 0 "[ . 1 . 2]" 1
765 1 67 ILE HA 1 67 ILE QG 3.990 . 3.990 2.533 2.433 3.161 . 0 0 "[ . 1 . 2]" 1
766 1 67 ILE HA 1 70 LEU H 5.240 . 5.240 3.579 3.364 3.806 . 0 0 "[ . 1 . 2]" 1
767 1 67 ILE HA 1 70 LEU HB2 4.440 . 4.440 2.740 2.467 3.006 . 0 0 "[ . 1 . 2]" 1
768 1 67 ILE HA 1 70 LEU MD1 4.410 . 4.410 2.439 1.924 3.423 . 0 0 "[ . 1 . 2]" 1
769 1 67 ILE HB 1 68 SER H 3.590 . 3.590 2.479 2.219 2.761 . 0 0 "[ . 1 . 2]" 1
770 1 67 ILE QG 1 67 ILE MG 3.200 . 3.200 2.344 2.229 2.387 . 0 0 "[ . 1 . 2]" 1
771 1 67 ILE MG 1 68 SER H 3.700 . 3.700 3.346 3.174 3.499 . 0 0 "[ . 1 . 2]" 1
772 1 67 ILE MG 1 68 SER QB 4.330 . 4.330 4.214 3.963 4.383 0.053 16 0 "[ . 1 . 2]" 1
773 1 67 ILE MG 1 69 ASN H 5.270 . 5.270 5.112 4.973 5.296 0.026 8 0 "[ . 1 . 2]" 1
774 1 67 ILE MG 1 70 LEU H 5.520 . 5.520 4.742 4.485 4.967 . 0 0 "[ . 1 . 2]" 1
775 1 67 ILE MG 1 71 LYS H 5.350 . 5.350 4.423 3.890 4.867 . 0 0 "[ . 1 . 2]" 1
776 1 67 ILE MG 1 71 LYS QD 3.620 . 3.620 2.969 1.802 3.542 . 0 0 "[ . 1 . 2]" 1
777 1 67 ILE MG 1 71 LYS QE 3.630 . 3.630 2.289 1.630 3.645 0.015 20 0 "[ . 1 . 2]" 1
778 1 68 SER H 1 68 SER QB 3.220 . 3.220 2.330 2.236 2.568 . 0 0 "[ . 1 . 2]" 1
779 1 68 SER H 1 69 ASN H 3.850 . 3.850 2.797 2.660 2.962 . 0 0 "[ . 1 . 2]" 1
780 1 68 SER H 1 71 LYS QD 5.530 . 5.530 4.940 4.075 5.358 . 0 0 "[ . 1 . 2]" 1
781 1 68 SER H 1 71 LYS QE 6.300 . 6.300 5.206 4.478 6.250 . 0 0 "[ . 1 . 2]" 1
782 1 68 SER H 1 71 LYS QG 5.520 . 5.520 4.364 4.103 5.086 . 0 0 "[ . 1 . 2]" 1
783 1 68 SER HA 1 71 LYS H 5.070 . 5.070 3.773 3.166 4.003 . 0 0 "[ . 1 . 2]" 1
784 1 68 SER HA 1 71 LYS QD 4.740 . 4.740 2.975 2.392 3.610 . 0 0 "[ . 1 . 2]" 1
785 1 68 SER HA 1 71 LYS QE 4.770 . 4.770 4.011 3.212 4.950 0.180 7 0 "[ . 1 . 2]" 1
786 1 68 SER HA 1 71 LYS QG 4.410 . 4.410 2.460 2.030 3.764 . 0 0 "[ . 1 . 2]" 1
787 1 68 SER QB 1 69 ASN H 4.080 . 4.080 2.796 2.438 3.522 . 0 0 "[ . 1 . 2]" 1
788 1 68 SER QB 1 71 LYS H 6.300 . 6.300 5.223 4.631 5.465 . 0 0 "[ . 1 . 2]" 1
789 1 68 SER QB 1 71 LYS QD 4.870 . 4.870 4.437 3.681 4.900 0.030 16 0 "[ . 1 . 2]" 1
790 1 68 SER QB 1 71 LYS QG 5.900 . 5.900 4.232 3.655 5.303 . 0 0 "[ . 1 . 2]" 1
791 1 69 ASN H 1 69 ASN HB2 4.350 . 4.350 2.543 2.327 3.669 . 0 0 "[ . 1 . 2]" 1
792 1 69 ASN H 1 69 ASN QB 3.650 . 3.650 2.404 2.067 2.672 . 0 0 "[ . 1 . 2]" 1
793 1 69 ASN H 1 69 ASN HB3 4.350 . 4.350 3.440 2.113 3.648 . 0 0 "[ . 1 . 2]" 1
794 1 69 ASN H 1 69 ASN HD21 4.440 . 4.440 3.422 2.068 4.495 0.055 8 0 "[ . 1 . 2]" 1
795 1 69 ASN H 1 69 ASN HD22 5.200 . 5.200 4.174 3.607 5.636 0.436 8 0 "[ . 1 . 2]" 1
796 1 69 ASN H 1 70 LEU H 4.080 . 4.080 2.618 2.530 2.771 . 0 0 "[ . 1 . 2]" 1
797 1 69 ASN H 1 70 LEU HG 6.300 . 6.300 4.546 4.240 4.987 . 0 0 "[ . 1 . 2]" 1
798 1 69 ASN H 1 100 MET ME 5.710 . 5.710 4.757 3.979 5.650 . 0 0 "[ . 1 . 2]" 1
799 1 69 ASN HA 1 71 LYS H 5.280 . 5.280 4.259 3.817 4.908 . 0 0 "[ . 1 . 2]" 1
800 1 69 ASN HA 1 72 ASP H 4.410 . 4.410 3.526 3.222 3.860 . 0 0 "[ . 1 . 2]" 1
801 1 69 ASN HA 1 72 ASP QB 4.490 . 4.490 2.135 1.780 2.707 . 0 0 "[ . 1 . 2]" 1
802 1 69 ASN QB 1 78 LEU MD2 3.920 . 3.920 2.576 2.058 4.037 0.117 15 0 "[ . 1 . 2]" 1
803 1 69 ASN HB2 1 70 LEU H 5.150 . 5.150 3.136 2.607 4.250 . 0 0 "[ . 1 . 2]" 1
804 1 69 ASN HB2 1 78 LEU MD2 4.550 . 4.550 3.450 2.786 4.624 0.074 15 0 "[ . 1 . 2]" 1
805 1 69 ASN HB3 1 70 LEU H 5.150 . 5.150 3.803 2.914 4.236 . 0 0 "[ . 1 . 2]" 1
806 1 69 ASN HB3 1 78 LEU MD2 4.550 . 4.550 2.734 2.079 4.451 . 0 0 "[ . 1 . 2]" 1
807 1 69 ASN HD21 1 100 MET ME 4.400 . 4.400 3.230 1.915 4.530 0.130 10 0 "[ . 1 . 2]" 1
808 1 69 ASN HD22 1 100 MET ME 4.550 . 4.550 3.525 2.581 4.620 0.070 5 0 "[ . 1 . 2]" 1
809 1 70 LEU H 1 70 LEU HB2 3.610 . 3.610 2.412 2.321 2.552 . 0 0 "[ . 1 . 2]" 1
810 1 70 LEU H 1 70 LEU MD1 4.170 . 4.170 3.702 3.608 3.920 . 0 0 "[ . 1 . 2]" 1
811 1 70 LEU H 1 70 LEU MD2 4.050 . 4.050 3.648 3.283 3.888 . 0 0 "[ . 1 . 2]" 1
812 1 70 LEU H 1 70 LEU HG 3.710 . 3.710 2.596 2.375 2.911 . 0 0 "[ . 1 . 2]" 1
813 1 70 LEU H 1 71 LYS H 3.690 . 3.690 2.612 2.394 2.861 . 0 0 "[ . 1 . 2]" 1
814 1 70 LEU H 1 71 LYS QE 6.300 . 6.300 5.624 4.784 6.512 0.212 9 0 "[ . 1 . 2]" 1
815 1 70 LEU H 1 71 LYS QG 6.100 . 6.100 3.980 3.664 4.200 . 0 0 "[ . 1 . 2]" 1
816 1 70 LEU H 1 78 LEU MD2 5.930 . 5.930 4.147 3.350 4.883 . 0 0 "[ . 1 . 2]" 1
817 1 70 LEU H 1 100 MET ME 5.940 . 5.940 5.400 4.008 5.984 0.044 20 0 "[ . 1 . 2]" 1
818 1 70 LEU HA 1 70 LEU MD2 3.710 . 3.710 2.079 1.997 2.120 . 0 0 "[ . 1 . 2]" 1
819 1 70 LEU HA 1 78 LEU MD2 4.350 . 4.350 3.110 2.112 4.265 . 0 0 "[ . 1 . 2]" 1
820 1 70 LEU HB2 1 71 LYS H 4.360 . 4.360 2.936 2.348 3.453 . 0 0 "[ . 1 . 2]" 1
821 1 70 LEU HB3 1 71 LYS H 5.410 . 5.410 3.760 3.062 4.145 . 0 0 "[ . 1 . 2]" 1
822 1 70 LEU MD2 1 71 LYS H 5.600 . 5.600 4.805 4.633 4.911 . 0 0 "[ . 1 . 2]" 1
823 1 70 LEU MD2 1 78 LEU HG 4.490 . 4.490 3.093 2.044 3.883 . 0 0 "[ . 1 . 2]" 1
824 1 70 LEU MD2 1 79 ARG H 4.800 . 4.800 4.033 3.165 4.849 0.049 20 0 "[ . 1 . 2]" 1
825 1 70 LEU MD2 1 79 ARG HA 3.960 . 3.960 2.929 2.056 3.757 . 0 0 "[ . 1 . 2]" 1
826 1 70 LEU MD2 1 79 ARG QB 5.400 . 5.400 2.878 2.078 5.195 . 0 0 "[ . 1 . 2]" 1
827 1 70 LEU MD2 1 82 VAL HB 5.040 . 5.040 4.143 3.348 5.066 0.026 18 0 "[ . 1 . 2]" 1
828 1 71 LYS H 1 71 LYS QB 3.550 . 3.550 2.787 2.506 2.999 . 0 0 "[ . 1 . 2]" 1
829 1 71 LYS H 1 71 LYS QD 5.230 . 5.230 4.168 3.478 4.373 . 0 0 "[ . 1 . 2]" 1
830 1 71 LYS H 1 71 LYS QE 4.960 . 4.960 4.142 3.621 4.981 0.021 13 0 "[ . 1 . 2]" 1
831 1 71 LYS H 1 71 LYS QG 3.500 . 3.500 2.198 2.023 2.734 . 0 0 "[ . 1 . 2]" 1
832 1 71 LYS H 1 72 ASP H 3.650 . 3.650 2.499 2.177 2.990 . 0 0 "[ . 1 . 2]" 1
833 1 71 LYS H 1 72 ASP QB 5.300 . 5.300 3.919 3.558 4.448 . 0 0 "[ . 1 . 2]" 1
834 1 71 LYS HA 1 71 LYS QE 4.790 . 4.790 4.363 4.257 4.702 . 0 0 "[ . 1 . 2]" 1
835 1 71 LYS QB 1 71 LYS QE 3.510 . 3.510 2.160 1.967 3.583 0.073 7 0 "[ . 1 . 2]" 1
836 1 71 LYS QB 1 72 ASP H 4.570 . 4.570 3.996 3.575 4.067 . 0 0 "[ . 1 . 2]" 1
837 1 71 LYS QG 1 72 ASP H 4.530 . 4.530 3.477 3.175 4.540 0.010 7 0 "[ . 1 . 2]" 1
838 1 72 ASP H 1 72 ASP HB2 3.560 . 3.560 2.470 2.345 2.577 . 0 0 "[ . 1 . 2]" 1
839 1 72 ASP H 1 72 ASP QB 3.100 . 3.100 2.254 2.214 2.305 . 0 0 "[ . 1 . 2]" 1
840 1 72 ASP H 1 72 ASP HB3 3.560 . 3.560 2.625 2.428 2.852 . 0 0 "[ . 1 . 2]" 1
841 1 72 ASP QB 1 73 ALA MB 6.100 . 6.100 4.921 4.740 5.069 . 0 0 "[ . 1 . 2]" 1
842 1 72 ASP QB 1 74 LYS H 4.770 . 4.770 3.631 3.181 3.990 . 0 0 "[ . 1 . 2]" 1
843 1 73 ALA H 1 74 LYS H 4.690 . 4.690 2.547 2.341 2.810 . 0 0 "[ . 1 . 2]" 1
844 1 73 ALA HA 1 75 ASN H 4.880 . 4.880 4.362 3.968 4.911 0.031 20 0 "[ . 1 . 2]" 1
845 1 73 ALA MB 1 74 LYS H 3.460 . 3.460 2.974 2.638 3.370 . 0 0 "[ . 1 . 2]" 1
846 1 73 ALA MB 1 74 LYS HA 4.270 . 4.270 4.024 3.840 4.205 . 0 0 "[ . 1 . 2]" 1
847 1 73 ALA MB 1 74 LYS QE 6.300 . 6.300 4.627 2.772 6.545 0.245 9 0 "[ . 1 . 2]" 1
848 1 73 ALA MB 1 75 ASN H 6.030 . 6.030 4.749 4.436 5.269 . 0 0 "[ . 1 . 2]" 1
849 1 74 LYS H 1 74 LYS QB 3.340 . 3.340 2.417 2.262 2.554 . 0 0 "[ . 1 . 2]" 1
850 1 74 LYS H 1 74 LYS QD 4.420 . 4.420 3.079 1.827 4.240 . 0 0 "[ . 1 . 2]" 1
851 1 74 LYS H 1 74 LYS HG2 5.210 . 5.210 3.846 2.247 4.719 . 0 0 "[ . 1 . 2]" 1
852 1 74 LYS H 1 74 LYS QG 4.510 . 4.510 3.280 2.223 4.165 . 0 0 "[ . 1 . 2]" 1
853 1 74 LYS H 1 74 LYS HG3 5.210 . 5.210 3.802 2.245 4.634 . 0 0 "[ . 1 . 2]" 1
854 1 74 LYS H 1 75 ASN H 3.500 . 3.500 2.509 2.309 2.689 . 0 0 "[ . 1 . 2]" 1
855 1 74 LYS HA 1 74 LYS QD 3.730 . 3.730 2.721 1.970 4.066 0.336 16 0 "[ . 1 . 2]" 1
856 1 74 LYS HA 1 74 LYS QE 5.070 . 5.070 4.321 3.826 5.012 . 0 0 "[ . 1 . 2]" 1
857 1 74 LYS HA 1 74 LYS QG 3.280 . 3.280 2.709 2.436 3.049 . 0 0 "[ . 1 . 2]" 1
858 1 74 LYS QB 1 74 LYS QE 4.370 . 4.370 3.602 2.042 3.935 . 0 0 "[ . 1 . 2]" 1
859 1 74 LYS QB 1 75 ASN H 3.780 . 3.780 2.770 2.319 3.240 . 0 0 "[ . 1 . 2]" 1
860 1 74 LYS QB 1 75 ASN HA 5.670 . 5.670 4.474 4.188 4.712 . 0 0 "[ . 1 . 2]" 1
861 1 74 LYS QD 1 75 ASN H 5.540 . 5.540 4.503 3.727 4.999 . 0 0 "[ . 1 . 2]" 1
862 1 74 LYS HG2 1 75 ASN H 6.300 . 6.300 5.022 4.253 5.651 . 0 0 "[ . 1 . 2]" 1
863 1 74 LYS HG3 1 75 ASN H 6.300 . 6.300 4.793 3.638 5.325 . 0 0 "[ . 1 . 2]" 1
864 1 75 ASN H 1 75 ASN HB2 4.060 . 4.060 3.116 2.562 3.994 . 0 0 "[ . 1 . 2]" 1
865 1 75 ASN H 1 75 ASN QB 3.400 . 3.400 2.712 2.402 3.318 . 0 0 "[ . 1 . 2]" 1
866 1 75 ASN H 1 75 ASN HB3 4.060 . 4.060 3.166 2.597 3.891 . 0 0 "[ . 1 . 2]" 1
867 1 75 ASN H 1 76 PRO HD2 4.800 . 4.800 4.281 3.822 4.842 0.042 20 0 "[ . 1 . 2]" 1
868 1 75 ASN H 1 76 PRO HD3 4.550 . 4.550 3.310 2.764 4.249 . 0 0 "[ . 1 . 2]" 1
869 1 75 ASN H 1 77 ASP H 5.660 . 5.660 5.401 5.159 5.645 . 0 0 "[ . 1 . 2]" 1
870 1 75 ASN HA 1 76 PRO HD3 4.250 . 4.250 2.797 2.240 3.183 . 0 0 "[ . 1 . 2]" 1
871 1 75 ASN HA 1 76 PRO QG 5.520 . 5.520 4.109 3.915 4.310 . 0 0 "[ . 1 . 2]" 1
872 1 75 ASN HA 1 77 ASP H 4.640 . 4.640 3.308 3.019 3.725 . 0 0 "[ . 1 . 2]" 1
873 1 75 ASN QD 1 78 LEU QB 4.340 . 4.340 2.749 1.637 4.329 . 0 0 "[ . 1 . 2]" 1
874 1 75 ASN QD 1 78 LEU MD1 4.760 . 4.760 3.353 2.328 4.853 0.093 6 0 "[ . 1 . 2]" 1
875 1 75 ASN QD 1 78 LEU MD2 5.110 . 5.110 3.250 1.990 4.853 . 0 0 "[ . 1 . 2]" 1
876 1 75 ASN QD 1 101 ALA HA 4.150 . 4.150 3.028 1.773 4.196 0.046 4 0 "[ . 1 . 2]" 1
877 1 75 ASN HD21 1 78 LEU MD1 5.530 . 5.530 3.883 2.637 5.525 . 0 0 "[ . 1 . 2]" 1
878 1 75 ASN HD21 1 78 LEU MD2 5.960 . 5.960 3.487 2.057 5.407 . 0 0 "[ . 1 . 2]" 1
879 1 75 ASN HD21 1 101 ALA HA 4.810 . 4.810 3.442 2.386 4.991 0.181 6 0 "[ . 1 . 2]" 1
880 1 75 ASN HD22 1 78 LEU MD1 5.530 . 5.530 3.880 2.568 5.573 0.043 9 0 "[ . 1 . 2]" 1
881 1 75 ASN HD22 1 78 LEU MD2 5.960 . 5.960 4.009 2.239 5.490 . 0 0 "[ . 1 . 2]" 1
882 1 75 ASN HD22 1 101 ALA HA 4.810 . 4.810 3.851 1.802 4.868 0.058 15 0 "[ . 1 . 2]" 1
883 1 76 PRO HA 1 79 ARG H 5.550 . 5.550 4.104 3.354 4.807 . 0 0 "[ . 1 . 2]" 1
884 1 76 PRO HD2 1 77 ASP H 4.650 . 4.650 2.433 2.160 2.685 . 0 0 "[ . 1 . 2]" 1
885 1 76 PRO HD3 1 77 ASP H 5.240 . 5.240 3.738 3.548 3.852 . 0 0 "[ . 1 . 2]" 1
886 1 76 PRO QG 1 77 ASP H 3.640 . 3.640 2.863 2.319 3.754 0.114 4 0 "[ . 1 . 2]" 1
887 1 77 ASP H 1 77 ASP HB2 3.720 . 3.720 2.671 2.215 3.608 . 0 0 "[ . 1 . 2]" 1
888 1 77 ASP H 1 77 ASP QB 3.210 . 3.210 2.448 2.115 2.628 . 0 0 "[ . 1 . 2]" 1
889 1 77 ASP H 1 77 ASP HB3 3.720 . 3.720 3.297 2.495 3.610 . 0 0 "[ . 1 . 2]" 1
890 1 77 ASP H 1 78 LEU H 3.780 . 3.780 2.656 2.500 2.890 . 0 0 "[ . 1 . 2]" 1
891 1 77 ASP H 1 78 LEU HA 5.570 . 5.570 5.206 5.036 5.479 . 0 0 "[ . 1 . 2]" 1
892 1 77 ASP HA 1 80 ARG H 4.650 . 4.650 3.368 2.865 4.159 . 0 0 "[ . 1 . 2]" 1
893 1 77 ASP HA 1 81 ASN H 4.570 . 4.570 4.024 3.502 4.709 0.139 7 0 "[ . 1 . 2]" 1
894 1 77 ASP QB 1 78 LEU H 4.160 . 4.160 3.031 2.417 3.808 . 0 0 "[ . 1 . 2]" 1
895 1 77 ASP QB 1 78 LEU MD1 5.700 . 5.700 5.264 4.859 5.833 0.133 4 0 "[ . 1 . 2]" 1
896 1 77 ASP HB2 1 78 LEU H 4.940 . 4.940 3.313 2.466 4.250 . 0 0 "[ . 1 . 2]" 1
897 1 77 ASP HB3 1 78 LEU H 4.940 . 4.940 3.865 2.800 4.384 . 0 0 "[ . 1 . 2]" 1
898 1 78 LEU H 1 78 LEU HB2 3.920 . 3.920 2.459 2.400 2.552 . 0 0 "[ . 1 . 2]" 1
899 1 78 LEU H 1 78 LEU HB3 3.920 . 3.920 2.550 2.367 2.754 . 0 0 "[ . 1 . 2]" 1
900 1 78 LEU H 1 78 LEU MD1 4.820 . 4.820 4.110 4.008 4.238 . 0 0 "[ . 1 . 2]" 1
901 1 78 LEU H 1 78 LEU MD2 5.090 . 5.090 4.301 4.205 4.388 . 0 0 "[ . 1 . 2]" 1
902 1 78 LEU H 1 78 LEU HG 5.530 . 5.530 4.533 4.439 4.623 . 0 0 "[ . 1 . 2]" 1
903 1 78 LEU H 1 79 ARG H 4.190 . 4.190 2.941 2.825 3.055 . 0 0 "[ . 1 . 2]" 1
904 1 78 LEU HA 1 78 LEU MD1 3.150 . 3.150 2.186 2.051 2.423 . 0 0 "[ . 1 . 2]" 1
905 1 78 LEU HA 1 78 LEU HG 4.330 . 4.330 3.150 2.951 3.321 . 0 0 "[ . 1 . 2]" 1
906 1 78 LEU HA 1 81 ASN H 4.810 . 4.810 3.985 3.350 4.420 . 0 0 "[ . 1 . 2]" 1
907 1 78 LEU HA 1 81 ASN QB 5.740 . 5.740 3.487 2.404 4.270 . 0 0 "[ . 1 . 2]" 1
908 1 78 LEU HA 1 87 ILE MD 4.430 . 4.430 3.557 2.333 4.619 0.189 9 0 "[ . 1 . 2]" 1
909 1 78 LEU QB 1 79 ARG H 3.730 . 3.730 2.305 2.116 2.535 . 0 0 "[ . 1 . 2]" 1
910 1 78 LEU MD1 1 79 ARG H 5.500 . 5.500 4.431 4.255 4.605 . 0 0 "[ . 1 . 2]" 1
911 1 78 LEU MD1 1 95 MET ME 4.080 . 4.080 2.633 1.891 3.633 . 0 0 "[ . 1 . 2]" 1
912 1 78 LEU MD1 1 100 MET QG 5.570 . 5.570 2.764 2.027 4.282 . 0 0 "[ . 1 . 2]" 1
913 1 78 LEU MD2 1 79 ARG H 5.370 . 5.370 3.959 3.622 4.389 . 0 0 "[ . 1 . 2]" 1
914 1 78 LEU MD2 1 100 MET ME 4.760 . 4.760 3.201 1.963 4.500 . 0 0 "[ . 1 . 2]" 1
915 1 78 LEU MD2 1 100 MET QG 4.710 . 4.710 3.030 2.118 4.330 . 0 0 "[ . 1 . 2]" 1
916 1 78 LEU HG 1 79 ARG H 5.460 . 5.460 3.544 3.216 3.879 . 0 0 "[ . 1 . 2]" 1
917 1 79 ARG H 1 80 ARG H 4.290 . 4.290 2.648 2.518 2.853 . 0 0 "[ . 1 . 2]" 1
918 1 79 ARG HA 1 82 VAL H 6.120 . 6.120 3.528 3.048 4.053 . 0 0 "[ . 1 . 2]" 1
919 1 79 ARG HA 1 82 VAL HB 5.010 . 5.010 3.040 2.389 3.625 . 0 0 "[ . 1 . 2]" 1
920 1 79 ARG HA 1 82 VAL MG2 4.770 . 4.770 2.894 2.239 4.134 . 0 0 "[ . 1 . 2]" 1
921 1 80 ARG H 1 80 ARG HB2 4.030 . 4.030 2.529 2.309 2.733 . 0 0 "[ . 1 . 2]" 1
922 1 80 ARG H 1 80 ARG QB 3.460 . 3.460 2.285 2.160 2.657 . 0 0 "[ . 1 . 2]" 1
923 1 80 ARG H 1 80 ARG HB3 4.030 . 4.030 2.725 2.295 3.653 . 0 0 "[ . 1 . 2]" 1
924 1 80 ARG H 1 80 ARG QG 4.900 . 4.900 3.649 2.070 4.079 . 0 0 "[ . 1 . 2]" 1
925 1 80 ARG H 1 81 ASN H 4.090 . 4.090 2.751 2.529 2.889 . 0 0 "[ . 1 . 2]" 1
926 1 80 ARG H 1 83 LEU MD1 4.910 . 4.910 4.148 3.782 4.662 . 0 0 "[ . 1 . 2]" 1
927 1 80 ARG HA 1 83 LEU H 4.680 . 4.680 3.547 3.098 4.177 . 0 0 "[ . 1 . 2]" 1
928 1 80 ARG HA 1 83 LEU QB 4.610 . 4.610 2.658 2.171 3.307 . 0 0 "[ . 1 . 2]" 1
929 1 80 ARG HA 1 83 LEU MD1 4.180 . 4.180 2.417 1.672 3.214 . 0 0 "[ . 1 . 2]" 1
930 1 80 ARG QB 1 81 ASN H 4.370 . 4.370 2.653 2.464 2.915 . 0 0 "[ . 1 . 2]" 1
931 1 81 ASN H 1 81 ASN QB 3.730 . 3.730 2.431 2.330 2.743 . 0 0 "[ . 1 . 2]" 1
932 1 81 ASN H 1 81 ASN HD21 4.970 . 4.970 3.626 2.348 4.668 . 0 0 "[ . 1 . 2]" 1
933 1 81 ASN H 1 81 ASN HD22 5.580 . 5.580 4.207 3.534 4.807 . 0 0 "[ . 1 . 2]" 1
934 1 81 ASN H 1 82 VAL H 3.960 . 3.960 2.670 2.502 2.796 . 0 0 "[ . 1 . 2]" 1
935 1 81 ASN H 1 82 VAL MG2 4.490 . 4.490 4.029 3.868 4.301 . 0 0 "[ . 1 . 2]" 1
936 1 81 ASN H 1 83 LEU H 5.750 . 5.750 4.145 3.768 4.490 . 0 0 "[ . 1 . 2]" 1
937 1 81 ASN H 1 86 ALA MB 5.540 . 5.540 4.887 4.593 5.209 . 0 0 "[ . 1 . 2]" 1
938 1 81 ASN H 1 87 ILE MD 5.070 . 5.070 4.341 3.794 4.840 . 0 0 "[ . 1 . 2]" 1
939 1 81 ASN HA 1 84 CYS H 4.590 . 4.590 3.415 3.098 4.022 . 0 0 "[ . 1 . 2]" 1
940 1 81 ASN HA 1 87 ILE H 5.640 . 5.640 4.104 3.678 4.865 . 0 0 "[ . 1 . 2]" 1
941 1 81 ASN QB 1 82 VAL MG2 5.120 . 5.120 3.343 3.064 4.316 . 0 0 "[ . 1 . 2]" 1
942 1 81 ASN QB 1 86 ALA MB 4.270 . 4.270 2.161 1.886 2.900 . 0 0 "[ . 1 . 2]" 1
943 1 81 ASN QB 1 87 ILE H 4.790 . 4.790 2.789 2.238 3.722 . 0 0 "[ . 1 . 2]" 1
944 1 81 ASN QB 1 87 ILE HB 5.750 . 5.750 3.221 2.876 3.775 . 0 0 "[ . 1 . 2]" 1
945 1 81 ASN QB 1 87 ILE QG 4.860 . 4.860 2.571 1.923 4.292 . 0 0 "[ . 1 . 2]" 1
946 1 81 ASN HB2 1 82 VAL H 5.480 . 5.480 2.906 2.694 3.995 . 0 0 "[ . 1 . 2]" 1
947 1 81 ASN HB2 1 86 ALA MB 4.920 . 4.920 3.648 1.940 4.375 . 0 0 "[ . 1 . 2]" 1
948 1 81 ASN HB2 1 87 ILE MD 4.360 . 4.360 2.380 2.180 2.874 . 0 0 "[ . 1 . 2]" 1
949 1 81 ASN HB3 1 82 VAL H 5.480 . 5.480 3.765 3.537 4.255 . 0 0 "[ . 1 . 2]" 1
950 1 81 ASN HB3 1 86 ALA MB 4.920 . 4.920 2.244 1.894 3.285 . 0 0 "[ . 1 . 2]" 1
951 1 81 ASN HB3 1 87 ILE MD 4.360 . 4.360 2.728 1.719 3.429 . 0 0 "[ . 1 . 2]" 1
952 1 81 ASN HD21 1 87 ILE MD 4.540 . 4.540 2.915 2.100 4.084 . 0 0 "[ . 1 . 2]" 1
953 1 81 ASN HD22 1 87 ILE MD 5.010 . 5.010 4.001 2.851 4.626 . 0 0 "[ . 1 . 2]" 1
954 1 82 VAL H 1 82 VAL HB 3.590 . 3.590 2.611 2.509 2.731 . 0 0 "[ . 1 . 2]" 1
955 1 82 VAL H 1 82 VAL MG2 3.110 . 3.110 2.098 1.977 2.250 . 0 0 "[ . 1 . 2]" 1
956 1 82 VAL H 1 83 LEU H 4.140 . 4.140 2.604 2.378 2.751 . 0 0 "[ . 1 . 2]" 1
957 1 82 VAL H 1 87 ILE MD 5.310 . 5.310 3.908 3.377 4.692 . 0 0 "[ . 1 . 2]" 1
958 1 82 VAL HA 1 82 VAL MG1 3.650 . 3.650 2.465 2.397 2.542 . 0 0 "[ . 1 . 2]" 1
959 1 82 VAL HA 1 82 VAL MG2 3.410 . 3.410 2.480 2.410 2.564 . 0 0 "[ . 1 . 2]" 1
960 1 82 VAL HA 1 84 CYS H 5.900 . 5.900 4.362 4.045 4.609 . 0 0 "[ . 1 . 2]" 1
961 1 82 VAL HA 1 86 ALA H 4.660 . 4.660 4.156 3.173 4.582 . 0 0 "[ . 1 . 2]" 1
962 1 82 VAL HA 1 87 ILE H 4.010 . 4.010 3.191 2.665 3.689 . 0 0 "[ . 1 . 2]" 1
963 1 82 VAL HA 1 87 ILE HB 4.910 . 4.910 2.956 2.391 3.855 . 0 0 "[ . 1 . 2]" 1
964 1 82 VAL HA 1 87 ILE MD 4.560 . 4.560 4.471 3.987 4.826 0.266 10 0 "[ . 1 . 2]" 1
965 1 82 VAL HB 1 83 LEU H 4.130 . 4.130 2.672 2.455 3.090 . 0 0 "[ . 1 . 2]" 1
966 1 82 VAL MG1 1 83 LEU H 4.540 . 4.540 3.588 3.235 3.885 . 0 0 "[ . 1 . 2]" 1
967 1 82 VAL MG1 1 83 LEU HA 4.660 . 4.660 3.752 3.409 4.038 . 0 0 "[ . 1 . 2]" 1
968 1 82 VAL MG1 1 85 GLY H 5.810 . 5.810 4.606 4.405 4.819 . 0 0 "[ . 1 . 2]" 1
969 1 82 VAL MG1 1 85 GLY QA 6.100 . 6.100 4.536 3.936 4.825 . 0 0 "[ . 1 . 2]" 1
970 1 82 VAL MG1 1 86 ALA H 6.300 . 6.300 5.794 5.097 6.126 . 0 0 "[ . 1 . 2]" 1
971 1 82 VAL MG2 1 86 ALA H 6.300 . 6.300 5.602 4.582 5.955 . 0 0 "[ . 1 . 2]" 1
972 1 82 VAL MG2 1 87 ILE H 5.610 . 5.610 4.082 3.737 4.374 . 0 0 "[ . 1 . 2]" 1
973 1 83 LEU H 1 83 LEU MD1 5.110 . 5.110 3.613 3.460 4.177 . 0 0 "[ . 1 . 2]" 1
974 1 83 LEU H 1 83 LEU MD2 4.910 . 4.910 3.505 3.279 4.317 . 0 0 "[ . 1 . 2]" 1
975 1 83 LEU H 1 83 LEU HG 3.970 . 3.970 2.420 2.133 4.019 0.049 13 0 "[ . 1 . 2]" 1
976 1 83 LEU H 1 84 CYS H 4.320 . 4.320 2.668 2.524 2.870 . 0 0 "[ . 1 . 2]" 1
977 1 83 LEU HA 1 83 LEU MD2 3.240 . 3.240 2.145 2.048 2.353 . 0 0 "[ . 1 . 2]" 1
978 1 83 LEU QB 1 84 CYS H 3.940 . 3.940 2.749 2.306 3.139 . 0 0 "[ . 1 . 2]" 1
979 1 83 LEU HB2 1 84 CYS H 4.570 . 4.570 2.870 2.492 3.282 . 0 0 "[ . 1 . 2]" 1
980 1 83 LEU HB3 1 84 CYS H 4.570 . 4.570 3.737 2.356 4.149 . 0 0 "[ . 1 . 2]" 1
981 1 83 LEU HG 1 84 CYS H 4.920 . 4.920 4.529 4.401 4.960 0.040 13 0 "[ . 1 . 2]" 1
982 1 84 CYS H 1 85 GLY H 3.940 . 3.940 2.459 2.202 2.569 . 0 0 "[ . 1 . 2]" 1
983 1 84 CYS H 1 85 GLY QA 6.100 . 6.100 4.403 4.178 4.489 . 0 0 "[ . 1 . 2]" 1
984 1 85 GLY H 1 86 ALA H 3.730 . 3.730 2.565 2.400 2.774 . 0 0 "[ . 1 . 2]" 1
985 1 85 GLY H 1 86 ALA MB 4.650 . 4.650 4.241 4.097 4.330 . 0 0 "[ . 1 . 2]" 1
986 1 85 GLY H 1 87 ILE H 5.190 . 5.190 4.217 3.792 4.753 . 0 0 "[ . 1 . 2]" 1
987 1 85 GLY QA 1 86 ALA MB 5.400 . 5.400 4.313 4.132 4.345 . 0 0 "[ . 1 . 2]" 1
988 1 86 ALA H 1 86 ALA MB 3.310 . 3.310 2.271 2.241 2.463 . 0 0 "[ . 1 . 2]" 1
989 1 86 ALA H 1 87 ILE H 3.490 . 3.490 2.729 2.267 2.950 . 0 0 "[ . 1 . 2]" 1
990 1 86 ALA H 1 87 ILE MD 6.300 . 6.300 5.391 4.099 6.098 . 0 0 "[ . 1 . 2]" 1
991 1 86 ALA MB 1 87 ILE H 3.510 . 3.510 2.366 2.099 3.196 . 0 0 "[ . 1 . 2]" 1
992 1 87 ILE H 1 87 ILE HB 3.600 . 3.600 2.536 2.342 2.667 . 0 0 "[ . 1 . 2]" 1
993 1 87 ILE H 1 87 ILE MD 4.440 . 4.440 3.443 2.240 4.092 . 0 0 "[ . 1 . 2]" 1
994 1 87 ILE H 1 87 ILE QG 4.120 . 4.120 2.885 2.296 3.680 . 0 0 "[ . 1 . 2]" 1
995 1 87 ILE HA 1 87 ILE MD 4.550 . 4.550 3.614 2.578 3.949 . 0 0 "[ . 1 . 2]" 1
996 1 87 ILE HA 1 87 ILE HG12 4.390 . 4.390 2.948 2.548 3.747 . 0 0 "[ . 1 . 2]" 1
997 1 87 ILE HA 1 87 ILE QG 3.550 . 3.550 2.476 2.399 2.564 . 0 0 "[ . 1 . 2]" 1
998 1 87 ILE HA 1 87 ILE HG13 4.390 . 4.390 2.922 2.430 3.165 . 0 0 "[ . 1 . 2]" 1
999 1 87 ILE HA 1 88 THR H 3.240 . 3.240 2.212 2.156 2.273 . 0 0 "[ . 1 . 2]" 1
1000 1 87 ILE QG 1 88 THR H 5.050 . 5.050 4.223 3.923 4.402 . 0 0 "[ . 1 . 2]" 1
1001 1 87 ILE MG 1 88 THR H 3.630 . 3.630 2.774 2.520 2.957 . 0 0 "[ . 1 . 2]" 1
1002 1 87 ILE MG 1 91 GLN H 4.810 . 4.810 3.936 3.754 4.108 . 0 0 "[ . 1 . 2]" 1
1003 1 87 ILE MG 1 91 GLN HB2 4.340 . 4.340 2.347 1.944 3.602 . 0 0 "[ . 1 . 2]" 1
1004 1 87 ILE MG 1 91 GLN QB 3.800 . 3.800 2.096 1.899 2.339 . 0 0 "[ . 1 . 2]" 1
1005 1 87 ILE MG 1 91 GLN HB3 4.340 . 4.340 2.549 2.032 2.824 . 0 0 "[ . 1 . 2]" 1
1006 1 87 ILE MG 1 91 GLN QE 4.800 . 4.800 4.094 2.547 4.883 0.083 19 0 "[ . 1 . 2]" 1
1007 1 87 ILE MG 1 91 GLN QG 4.580 . 4.580 3.481 2.299 4.002 . 0 0 "[ . 1 . 2]" 1
1008 1 87 ILE MG 1 92 ILE H 3.900 . 3.900 2.611 2.387 3.044 . 0 0 "[ . 1 . 2]" 1
1009 1 87 ILE MG 1 92 ILE HA 4.410 . 4.410 3.191 2.762 4.095 . 0 0 "[ . 1 . 2]" 1
1010 1 87 ILE MG 1 92 ILE HB 3.990 . 3.990 2.224 1.891 3.026 . 0 0 "[ . 1 . 2]" 1
1011 1 88 THR H 1 88 THR MG 3.440 . 3.440 2.232 2.013 2.421 . 0 0 "[ . 1 . 2]" 1
1012 1 88 THR H 1 89 PRO QD 5.310 . 5.310 4.496 4.463 4.530 . 0 0 "[ . 1 . 2]" 1
1013 1 88 THR H 1 91 GLN H 5.070 . 5.070 4.013 3.712 4.373 . 0 0 "[ . 1 . 2]" 1
1014 1 88 THR H 1 91 GLN HB2 4.360 . 4.360 2.852 2.430 3.199 . 0 0 "[ . 1 . 2]" 1
1015 1 88 THR H 1 91 GLN QB 3.540 . 3.540 2.762 2.340 3.093 . 0 0 "[ . 1 . 2]" 1
1016 1 88 THR H 1 91 GLN HB3 4.360 . 4.360 4.044 2.406 4.462 0.102 8 0 "[ . 1 . 2]" 1
1017 1 88 THR HA 1 88 THR MG 3.350 . 3.350 2.475 2.388 2.575 . 0 0 "[ . 1 . 2]" 1
1018 1 88 THR HA 1 89 PRO QD 3.690 . 3.690 2.071 1.945 2.161 . 0 0 "[ . 1 . 2]" 1
1019 1 88 THR HA 1 90 GLN H 5.350 . 5.350 4.276 4.023 4.601 . 0 0 "[ . 1 . 2]" 1
1020 1 88 THR HB 1 89 PRO HD2 5.940 . 5.940 2.462 2.295 2.709 . 0 0 "[ . 1 . 2]" 1
1021 1 88 THR HB 1 89 PRO QD 5.180 . 5.180 2.410 2.260 2.595 . 0 0 "[ . 1 . 2]" 1
1022 1 88 THR HB 1 89 PRO HD3 5.940 . 5.940 3.470 3.261 3.792 . 0 0 "[ . 1 . 2]" 1
1023 1 88 THR HB 1 90 GLN H 4.190 . 4.190 2.977 2.590 3.490 . 0 0 "[ . 1 . 2]" 1
1024 1 88 THR MG 1 89 PRO HD2 4.020 . 4.020 3.698 3.214 3.961 . 0 0 "[ . 1 . 2]" 1
1025 1 88 THR MG 1 89 PRO HD3 4.020 . 4.020 3.995 3.811 4.144 0.124 8 0 "[ . 1 . 2]" 1
1026 1 88 THR MG 1 89 PRO QG 5.410 . 5.410 5.101 4.636 5.257 . 0 0 "[ . 1 . 2]" 1
1027 1 88 THR MG 1 90 GLN H 4.820 . 4.820 4.452 4.157 4.873 0.053 3 0 "[ . 1 . 2]" 1
1028 1 88 THR MG 1 90 GLN QB 5.930 . 5.930 4.569 3.800 5.640 . 0 0 "[ . 1 . 2]" 1
1029 1 88 THR MG 1 91 GLN H 5.390 . 5.390 4.297 3.910 4.762 . 0 0 "[ . 1 . 2]" 1
1030 1 88 THR MG 1 91 GLN HB2 6.300 . 6.300 4.155 3.538 4.787 . 0 0 "[ . 1 . 2]" 1
1031 1 88 THR MG 1 91 GLN QB 5.440 . 5.440 3.996 3.237 4.590 . 0 0 "[ . 1 . 2]" 1
1032 1 88 THR MG 1 91 GLN HB3 6.300 . 6.300 5.216 3.749 5.893 . 0 0 "[ . 1 . 2]" 1
1033 1 88 THR MG 1 91 GLN QG 4.650 . 4.650 3.532 2.712 4.742 0.092 12 0 "[ . 1 . 2]" 1
1034 1 89 PRO HA 1 92 ILE MG 3.660 . 3.660 2.175 1.893 2.783 . 0 0 "[ . 1 . 2]" 1
1035 1 89 PRO QB 1 92 ILE MG 5.350 . 5.350 3.682 3.196 4.206 . 0 0 "[ . 1 . 2]" 1
1036 1 89 PRO QD 1 90 GLN H 4.280 . 4.280 3.080 2.849 3.386 . 0 0 "[ . 1 . 2]" 1
1037 1 90 GLN H 1 90 GLN HB2 3.620 . 3.620 2.858 2.317 3.682 0.062 2 0 "[ . 1 . 2]" 1
1038 1 90 GLN H 1 90 GLN QB 2.980 . 2.980 2.374 2.198 2.690 . 0 0 "[ . 1 . 2]" 1
1039 1 90 GLN H 1 90 GLN HB3 3.620 . 3.620 2.621 2.500 2.773 . 0 0 "[ . 1 . 2]" 1
1040 1 90 GLN H 1 90 GLN HG2 5.010 . 5.010 4.018 2.277 4.642 . 0 0 "[ . 1 . 2]" 1
1041 1 90 GLN H 1 90 GLN HG3 5.010 . 5.010 4.018 2.090 4.680 . 0 0 "[ . 1 . 2]" 1
1042 1 90 GLN H 1 91 GLN H 4.010 . 4.010 2.645 2.566 2.765 . 0 0 "[ . 1 . 2]" 1
1043 1 90 GLN H 1 91 GLN QB 5.540 . 5.540 4.565 4.297 4.809 . 0 0 "[ . 1 . 2]" 1
1044 1 90 GLN HA 1 93 ALA H 4.440 . 4.440 3.784 3.487 4.099 . 0 0 "[ . 1 . 2]" 1
1045 1 90 GLN HA 1 93 ALA MB 4.130 . 4.130 2.809 2.321 3.413 . 0 0 "[ . 1 . 2]" 1
1046 1 90 GLN HA 1 94 VAL H 6.300 . 6.300 4.602 4.047 5.313 . 0 0 "[ . 1 . 2]" 1
1047 1 90 GLN HA 1 94 VAL MG1 6.060 . 6.060 3.950 3.340 4.909 . 0 0 "[ . 1 . 2]" 1
1048 1 90 GLN QB 1 91 GLN H 4.040 . 4.040 2.843 2.452 3.653 . 0 0 "[ . 1 . 2]" 1
1049 1 90 GLN HB2 1 91 GLN H 4.610 . 4.610 3.858 3.629 4.012 . 0 0 "[ . 1 . 2]" 1
1050 1 90 GLN HB3 1 91 GLN H 4.610 . 4.610 3.032 2.487 4.238 . 0 0 "[ . 1 . 2]" 1
1051 1 90 GLN QE 1 91 GLN HA 6.100 . 6.100 3.995 2.760 5.384 . 0 0 "[ . 1 . 2]" 1
1052 1 90 GLN QE 1 94 VAL MG2 4.470 . 4.470 3.114 1.976 3.888 . 0 0 "[ . 1 . 2]" 1
1053 1 90 GLN HE21 1 94 VAL MG1 4.400 . 4.400 3.258 2.077 4.274 . 0 0 "[ . 1 . 2]" 1
1054 1 90 GLN HE21 1 94 VAL MG2 5.100 . 5.100 3.540 2.320 4.703 . 0 0 "[ . 1 . 2]" 1
1055 1 90 GLN HE22 1 94 VAL MG1 4.400 . 4.400 3.837 2.555 4.573 0.173 12 0 "[ . 1 . 2]" 1
1056 1 90 GLN HE22 1 94 VAL MG2 5.100 . 5.100 3.803 2.024 5.090 . 0 0 "[ . 1 . 2]" 1
1057 1 90 GLN QG 1 91 GLN H 5.590 . 5.590 3.547 2.124 4.406 . 0 0 "[ . 1 . 2]" 1
1058 1 90 GLN QG 1 94 VAL MG1 5.590 . 5.590 3.821 2.187 5.479 . 0 0 "[ . 1 . 2]" 1
1059 1 90 GLN QG 1 94 VAL MG2 5.290 . 5.290 4.058 2.797 5.409 0.119 10 0 "[ . 1 . 2]" 1
1060 1 91 GLN H 1 91 GLN HB2 3.750 . 3.750 2.413 2.123 2.598 . 0 0 "[ . 1 . 2]" 1
1061 1 91 GLN H 1 91 GLN QB 3.040 . 3.040 2.363 2.097 2.475 . 0 0 "[ . 1 . 2]" 1
1062 1 91 GLN H 1 91 GLN HB3 3.750 . 3.750 3.537 2.477 3.654 . 0 0 "[ . 1 . 2]" 1
1063 1 91 GLN H 1 91 GLN HG2 5.200 . 5.200 3.354 2.342 4.483 . 0 0 "[ . 1 . 2]" 1
1064 1 91 GLN H 1 91 GLN QG 4.570 . 4.570 2.705 2.247 4.016 . 0 0 "[ . 1 . 2]" 1
1065 1 91 GLN H 1 91 GLN HG3 5.200 . 5.200 3.304 2.273 4.534 . 0 0 "[ . 1 . 2]" 1
1066 1 91 GLN H 1 92 ILE H 4.060 . 4.060 2.841 2.599 2.962 . 0 0 "[ . 1 . 2]" 1
1067 1 91 GLN H 1 93 ALA H 5.230 . 5.230 4.087 3.856 4.392 . 0 0 "[ . 1 . 2]" 1
1068 1 91 GLN H 1 94 VAL MG2 5.070 . 5.070 4.289 4.015 4.693 . 0 0 "[ . 1 . 2]" 1
1069 1 91 GLN HA 1 91 GLN QG 3.660 . 3.660 2.622 2.287 2.992 . 0 0 "[ . 1 . 2]" 1
1070 1 91 GLN HA 1 94 VAL H 6.300 . 6.300 3.682 3.335 4.178 . 0 0 "[ . 1 . 2]" 1
1071 1 91 GLN HA 1 94 VAL MG1 6.300 . 6.300 4.173 3.756 5.151 . 0 0 "[ . 1 . 2]" 1
1072 1 91 GLN HA 1 94 VAL MG2 3.790 . 3.790 2.277 1.879 3.039 . 0 0 "[ . 1 . 2]" 1
1073 1 91 GLN QB 1 92 ILE H 3.840 . 3.840 2.466 2.288 2.861 . 0 0 "[ . 1 . 2]" 1
1074 1 91 GLN QB 1 92 ILE MG 5.430 . 5.430 3.967 3.616 4.333 . 0 0 "[ . 1 . 2]" 1
1075 1 91 GLN QB 1 94 VAL MG2 5.760 . 5.760 3.940 3.603 4.588 . 0 0 "[ . 1 . 2]" 1
1076 1 91 GLN HB2 1 92 ILE H 4.510 . 4.510 2.642 2.351 3.884 . 0 0 "[ . 1 . 2]" 1
1077 1 91 GLN HB3 1 92 ILE H 4.510 . 4.510 3.262 2.493 3.531 . 0 0 "[ . 1 . 2]" 1
1078 1 91 GLN QG 1 92 ILE H 6.100 . 6.100 4.189 3.321 4.687 . 0 0 "[ . 1 . 2]" 1
1079 1 92 ILE H 1 92 ILE HB 3.930 . 3.930 2.548 2.397 2.740 . 0 0 "[ . 1 . 2]" 1
1080 1 92 ILE H 1 92 ILE MD 4.290 . 4.290 4.159 3.943 4.322 0.032 3 0 "[ . 1 . 2]" 1
1081 1 92 ILE H 1 92 ILE MG 3.640 . 3.640 2.105 1.906 2.418 . 0 0 "[ . 1 . 2]" 1
1082 1 92 ILE H 1 93 ALA H 3.930 . 3.930 2.738 2.569 2.812 . 0 0 "[ . 1 . 2]" 1
1083 1 92 ILE H 1 93 ALA MB 6.300 . 6.300 4.409 4.284 4.472 . 0 0 "[ . 1 . 2]" 1
1084 1 92 ILE H 1 95 MET ME 5.660 . 5.660 4.464 3.107 5.686 0.026 15 0 "[ . 1 . 2]" 1
1085 1 92 ILE HA 1 92 ILE MD 3.610 . 3.610 2.107 1.932 2.271 . 0 0 "[ . 1 . 2]" 1
1086 1 92 ILE HA 1 95 MET H 5.010 . 5.010 3.601 3.232 3.979 . 0 0 "[ . 1 . 2]" 1
1087 1 92 ILE HA 1 95 MET HB2 4.800 . 4.800 2.976 2.296 3.939 . 0 0 "[ . 1 . 2]" 1
1088 1 92 ILE HA 1 95 MET HB3 6.060 . 6.060 3.875 2.595 5.001 . 0 0 "[ . 1 . 2]" 1
1089 1 92 ILE HA 1 95 MET ME 4.010 . 4.010 2.766 1.922 4.079 0.069 6 0 "[ . 1 . 2]" 1
1090 1 92 ILE HA 1 95 MET QG 6.100 . 6.100 3.815 2.893 4.697 . 0 0 "[ . 1 . 2]" 1
1091 1 92 ILE MD 1 95 MET HB3 4.950 . 4.950 3.904 2.688 4.979 0.029 18 0 "[ . 1 . 2]" 1
1092 1 92 ILE MD 1 95 MET ME 3.790 . 3.790 2.622 2.022 3.844 0.054 6 0 "[ . 1 . 2]" 1
1093 1 92 ILE MD 1 95 MET QG 4.770 . 4.770 4.329 3.596 4.883 0.113 5 0 "[ . 1 . 2]" 1
1094 1 92 ILE MD 1 100 MET QG 5.500 . 5.500 2.728 2.064 4.139 . 0 0 "[ . 1 . 2]" 1
1095 1 92 ILE MG 1 93 ALA H 3.770 . 3.770 2.469 2.210 2.811 . 0 0 "[ . 1 . 2]" 1
1096 1 92 ILE MG 1 93 ALA HA 5.260 . 5.260 3.534 3.249 3.770 . 0 0 "[ . 1 . 2]" 1
1097 1 93 ALA H 1 93 ALA MB 3.310 . 3.310 2.262 2.236 2.297 . 0 0 "[ . 1 . 2]" 1
1098 1 93 ALA H 1 94 VAL H 4.000 . 4.000 2.634 2.474 2.864 . 0 0 "[ . 1 . 2]" 1
1099 1 93 ALA H 1 94 VAL MG1 6.300 . 6.300 4.229 4.046 4.538 . 0 0 "[ . 1 . 2]" 1
1100 1 93 ALA H 1 94 VAL MG2 4.080 . 4.080 3.959 3.717 4.119 0.039 3 0 "[ . 1 . 2]" 1
1101 1 93 ALA MB 1 94 VAL H 4.000 . 4.000 2.703 2.423 2.916 . 0 0 "[ . 1 . 2]" 1
1102 1 93 ALA MB 1 94 VAL MG1 4.300 . 4.300 2.790 2.531 3.117 . 0 0 "[ . 1 . 2]" 1
1103 1 93 ALA MB 1 94 VAL MG2 6.160 . 6.160 3.836 3.419 4.188 . 0 0 "[ . 1 . 2]" 1
1104 1 94 VAL H 1 94 VAL MG1 3.750 . 3.750 2.533 2.288 2.757 . 0 0 "[ . 1 . 2]" 1
1105 1 94 VAL H 1 94 VAL MG2 3.410 . 3.410 2.131 2.051 2.187 . 0 0 "[ . 1 . 2]" 1
1106 1 94 VAL H 1 95 MET H 3.680 . 3.680 2.386 2.146 2.553 . 0 0 "[ . 1 . 2]" 1
1107 1 94 VAL HA 1 94 VAL MG1 3.710 . 3.710 2.418 2.391 2.487 . 0 0 "[ . 1 . 2]" 1
1108 1 94 VAL HB 1 95 MET H 5.030 . 5.030 4.208 3.930 4.453 . 0 0 "[ . 1 . 2]" 1
1109 1 94 VAL MG1 1 95 MET H 4.970 . 4.970 4.202 4.081 4.332 . 0 0 "[ . 1 . 2]" 1
1110 1 94 VAL MG2 1 95 MET H 4.130 . 4.130 2.764 2.340 3.298 . 0 0 "[ . 1 . 2]" 1
1111 1 94 VAL MG2 1 95 MET HB2 6.120 . 6.120 4.110 3.300 4.611 . 0 0 "[ . 1 . 2]" 1
1112 1 95 MET H 1 95 MET HB2 3.750 . 3.750 2.475 2.300 2.649 . 0 0 "[ . 1 . 2]" 1
1113 1 95 MET H 1 95 MET HB3 4.380 . 4.380 3.240 2.396 3.670 . 0 0 "[ . 1 . 2]" 1
1114 1 95 MET H 1 95 MET ME 4.920 . 4.920 4.229 3.619 4.901 . 0 0 "[ . 1 . 2]" 1
1115 1 95 MET H 1 95 MET HG2 5.100 . 5.100 4.012 3.503 4.554 . 0 0 "[ . 1 . 2]" 1
1116 1 95 MET H 1 95 MET QG 4.270 . 4.270 3.059 2.347 4.029 . 0 0 "[ . 1 . 2]" 1
1117 1 95 MET H 1 95 MET HG3 5.100 . 5.100 3.263 2.385 4.536 . 0 0 "[ . 1 . 2]" 1
1118 1 95 MET HA 1 95 MET ME 4.470 . 4.470 4.329 3.909 4.521 0.051 3 0 "[ . 1 . 2]" 1
1119 1 95 MET HA 1 95 MET QG 3.740 . 3.740 2.446 2.367 2.559 . 0 0 "[ . 1 . 2]" 1
1120 1 95 MET HB3 1 100 MET QG 5.290 . 5.290 2.961 2.396 5.003 . 0 0 "[ . 1 . 2]" 1
1121 1 95 MET ME 1 95 MET HG2 3.970 . 3.970 2.919 2.509 3.445 . 0 0 "[ . 1 . 2]" 1
1122 1 95 MET ME 1 95 MET QG 3.480 . 3.480 2.504 2.419 2.587 . 0 0 "[ . 1 . 2]" 1
1123 1 95 MET ME 1 95 MET HG3 3.970 . 3.970 3.091 2.474 3.449 . 0 0 "[ . 1 . 2]" 1
1124 1 95 MET ME 1 100 MET H 5.390 . 5.390 4.126 3.118 5.061 . 0 0 "[ . 1 . 2]" 1
1125 1 95 MET ME 1 100 MET HA 3.510 . 3.510 2.922 2.124 3.714 0.204 1 0 "[ . 1 . 2]" 1
1126 1 95 MET ME 1 100 MET QG 3.580 . 3.580 2.455 1.784 3.675 0.095 4 0 "[ . 1 . 2]" 1
1127 1 96 THR H 1 96 THR MG 4.370 . 4.370 2.513 1.999 3.802 . 0 0 "[ . 1 . 2]" 1
1128 1 96 THR HA 1 96 THR MG 3.550 . 3.550 2.591 2.411 3.270 . 0 0 "[ . 1 . 2]" 1
1129 1 96 THR MG 1 99 GLU QB 5.250 . 5.250 4.085 2.597 4.780 . 0 0 "[ . 1 . 2]" 1
1130 1 96 THR MG 1 99 GLU HG2 6.300 . 6.300 4.032 1.903 5.600 . 0 0 "[ . 1 . 2]" 1
1131 1 96 THR MG 1 99 GLU HG3 6.300 . 6.300 3.887 2.291 5.750 . 0 0 "[ . 1 . 2]" 1
1132 1 97 SER HA 1 99 GLU H 4.820 . 4.820 4.509 4.241 4.840 0.020 10 0 "[ . 1 . 2]" 1
1133 1 97 SER HA 1 100 MET H 6.040 . 6.040 3.483 3.193 3.950 . 0 0 "[ . 1 . 2]" 1
1134 1 97 SER HA 1 100 MET ME 3.390 . 3.390 2.353 1.752 3.448 0.058 2 0 "[ . 1 . 2]" 1
1135 1 97 SER QB 1 98 GLU H 5.030 . 5.030 3.292 2.563 3.651 . 0 0 "[ . 1 . 2]" 1
1136 1 97 SER QB 1 100 MET QB 5.650 . 5.650 4.160 3.552 4.720 . 0 0 "[ . 1 . 2]" 1
1137 1 97 SER QB 1 100 MET ME 4.450 . 4.450 3.390 2.696 4.444 . 0 0 "[ . 1 . 2]" 1
1138 1 98 GLU H 1 99 GLU QG 6.100 . 6.100 4.425 3.902 6.198 0.098 4 0 "[ . 1 . 2]" 1
1139 1 98 GLU HA 1 98 GLU HG2 4.070 . 4.070 3.058 2.510 3.804 . 0 0 "[ . 1 . 2]" 1
1140 1 98 GLU HA 1 98 GLU QG 3.490 . 3.490 2.531 2.426 2.639 . 0 0 "[ . 1 . 2]" 1
1141 1 98 GLU HA 1 98 GLU HG3 4.070 . 4.070 2.850 2.579 3.249 . 0 0 "[ . 1 . 2]" 1
1142 1 98 GLU HA 1 101 ALA H 4.760 . 4.760 3.754 3.264 4.338 . 0 0 "[ . 1 . 2]" 1
1143 1 98 GLU HA 1 101 ALA MB 4.000 . 4.000 3.141 2.507 3.697 . 0 0 "[ . 1 . 2]" 1
1144 1 98 GLU QB 1 99 GLU H 3.820 . 3.820 2.498 2.285 2.788 . 0 0 "[ . 1 . 2]" 1
1145 1 98 GLU QG 1 101 ALA MB 5.100 . 5.100 4.679 4.025 5.205 0.105 4 0 "[ . 1 . 2]" 1
1146 1 99 GLU H 1 99 GLU QB 3.740 . 3.740 2.464 2.154 2.666 . 0 0 "[ . 1 . 2]" 1
1147 1 99 GLU H 1 99 GLU HG2 4.670 . 4.670 2.803 2.044 4.380 . 0 0 "[ . 1 . 2]" 1
1148 1 99 GLU H 1 99 GLU QG 3.900 . 3.900 2.325 2.014 3.954 0.054 4 0 "[ . 1 . 2]" 1
1149 1 99 GLU H 1 99 GLU HG3 4.670 . 4.670 3.201 2.031 4.502 . 0 0 "[ . 1 . 2]" 1
1150 1 99 GLU H 1 100 MET H 4.370 . 4.370 2.614 2.468 2.824 . 0 0 "[ . 1 . 2]" 1
1151 1 99 GLU HA 1 99 GLU HG2 4.210 . 4.210 3.027 2.595 3.849 . 0 0 "[ . 1 . 2]" 1
1152 1 99 GLU HA 1 99 GLU QG 3.680 . 3.680 2.838 2.441 3.379 . 0 0 "[ . 1 . 2]" 1
1153 1 99 GLU HA 1 99 GLU HG3 4.210 . 4.210 3.516 2.764 3.912 . 0 0 "[ . 1 . 2]" 1
1154 1 99 GLU HA 1 101 ALA H 5.480 . 5.480 4.250 3.685 4.901 . 0 0 "[ . 1 . 2]" 1
1155 1 99 GLU HA 1 102 SER H 4.700 . 4.700 3.543 2.876 4.365 . 0 0 "[ . 1 . 2]" 1
1156 1 99 GLU QB 1 100 MET H 3.720 . 3.720 2.738 2.437 3.752 0.032 10 0 "[ . 1 . 2]" 1
1157 1 99 GLU HB2 1 100 MET H 4.430 . 4.430 2.885 2.471 4.217 . 0 0 "[ . 1 . 2]" 1
1158 1 99 GLU HB3 1 100 MET H 4.430 . 4.430 3.753 2.647 4.205 . 0 0 "[ . 1 . 2]" 1
1159 1 100 MET H 1 100 MET HB2 4.350 . 4.350 2.457 2.348 2.612 . 0 0 "[ . 1 . 2]" 1
1160 1 100 MET H 1 100 MET QB 3.680 . 3.680 2.401 2.162 2.558 . 0 0 "[ . 1 . 2]" 1
1161 1 100 MET H 1 100 MET HB3 4.350 . 4.350 3.508 2.464 3.675 . 0 0 "[ . 1 . 2]" 1
1162 1 100 MET H 1 100 MET ME 4.780 . 4.780 3.962 3.486 4.650 . 0 0 "[ . 1 . 2]" 1
1163 1 100 MET H 1 100 MET HG2 4.390 . 4.390 3.609 3.218 4.445 0.055 14 0 "[ . 1 . 2]" 1
1164 1 100 MET H 1 100 MET HG3 4.390 . 4.390 2.650 2.307 4.503 0.113 4 0 "[ . 1 . 2]" 1
1165 1 100 MET H 1 101 ALA H 4.450 . 4.450 2.623 2.451 2.848 . 0 0 "[ . 1 . 2]" 1
1166 1 100 MET H 1 101 ALA HA 5.510 . 5.510 5.294 5.136 5.467 . 0 0 "[ . 1 . 2]" 1
1167 1 100 MET H 1 101 ALA MB 4.630 . 4.630 4.350 4.190 4.515 . 0 0 "[ . 1 . 2]" 1
1168 1 100 MET HA 1 100 MET ME 4.510 . 4.510 4.405 3.968 4.547 0.037 11 0 "[ . 1 . 2]" 1
1169 1 100 MET HA 1 100 MET HG2 4.260 . 4.260 2.585 2.441 3.157 . 0 0 "[ . 1 . 2]" 1
1170 1 100 MET HA 1 100 MET HG3 4.260 . 4.260 3.149 2.646 3.726 . 0 0 "[ . 1 . 2]" 1
1171 1 100 MET HB2 1 101 ALA H 4.780 . 4.780 3.042 2.526 4.056 . 0 0 "[ . 1 . 2]" 1
1172 1 100 MET HB3 1 101 ALA H 4.780 . 4.780 3.732 2.314 4.276 . 0 0 "[ . 1 . 2]" 1
1173 1 101 ALA H 1 101 ALA MB 3.440 . 3.440 2.319 2.246 2.467 . 0 0 "[ . 1 . 2]" 1
1174 1 101 ALA H 1 102 SER H 5.010 . 5.010 2.473 2.029 2.735 . 0 0 "[ . 1 . 2]" 1
1175 1 101 ALA MB 1 102 SER H 4.550 . 4.550 3.111 2.668 3.527 . 0 0 "[ . 1 . 2]" 1
1176 1 101 ALA MB 1 102 SER QB 5.820 . 5.820 4.424 3.431 4.773 . 0 0 "[ . 1 . 2]" 1
1177 1 102 SER H 1 102 SER QB 3.830 . 3.830 2.719 2.256 3.417 . 0 0 "[ . 1 . 2]" 1
1178 1 102 SER HA 1 104 GLU H 5.390 . 5.390 3.559 3.136 4.157 . 0 0 "[ . 1 . 2]" 1
1179 1 102 SER QB 1 104 GLU H 4.630 . 4.630 4.039 3.031 4.814 0.184 15 0 "[ . 1 . 2]" 1
1180 1 102 SER QB 1 104 GLU QB 5.510 . 5.510 4.160 2.539 5.561 0.051 15 0 "[ . 1 . 2]" 1
1181 1 102 SER QB 1 105 LEU H 5.470 . 5.470 3.079 2.249 4.038 . 0 0 "[ . 1 . 2]" 1
1182 1 102 SER QB 1 105 LEU MD1 4.040 . 4.040 2.741 1.941 4.152 0.112 20 0 "[ . 1 . 2]" 1
1183 1 102 SER QB 1 105 LEU HG 5.020 . 5.020 2.836 2.118 4.045 . 0 0 "[ . 1 . 2]" 1
1184 1 103 ASP HA 1 105 LEU H 5.060 . 5.060 4.405 3.857 4.722 . 0 0 "[ . 1 . 2]" 1
1185 1 103 ASP HA 1 106 LYS H 5.410 . 5.410 3.596 3.035 4.270 . 0 0 "[ . 1 . 2]" 1
1186 1 103 ASP HA 1 106 LYS QB 4.440 . 4.440 3.372 2.297 4.488 0.048 1 0 "[ . 1 . 2]" 1
1187 1 103 ASP HA 1 106 LYS QD 3.990 . 3.990 3.823 2.807 4.173 0.183 16 0 "[ . 1 . 2]" 1
1188 1 103 ASP HA 1 106 LYS QE 4.270 . 4.270 3.262 1.735 4.409 0.139 19 0 "[ . 1 . 2]" 1
1189 1 103 ASP HA 1 106 LYS HG2 5.190 . 5.190 3.014 2.042 5.045 . 0 0 "[ . 1 . 2]" 1
1190 1 103 ASP HA 1 106 LYS QG 4.530 . 4.530 2.389 1.940 3.419 . 0 0 "[ . 1 . 2]" 1
1191 1 103 ASP HA 1 106 LYS HG3 5.190 . 5.190 2.707 2.057 3.503 . 0 0 "[ . 1 . 2]" 1
1192 1 103 ASP QB 1 104 GLU H 3.830 . 3.830 3.062 2.657 3.702 . 0 0 "[ . 1 . 2]" 1
1193 1 103 ASP QB 1 105 LEU H 6.050 . 6.050 5.092 4.848 5.559 . 0 0 "[ . 1 . 2]" 1
1194 1 103 ASP HB2 1 104 GLU H 4.650 . 4.650 3.618 2.725 4.165 . 0 0 "[ . 1 . 2]" 1
1195 1 103 ASP HB3 1 104 GLU H 4.650 . 4.650 3.615 2.727 4.263 . 0 0 "[ . 1 . 2]" 1
1196 1 104 GLU H 1 104 GLU HB2 3.810 . 3.810 2.572 2.276 3.603 . 0 0 "[ . 1 . 2]" 1
1197 1 104 GLU H 1 104 GLU QB 3.330 . 3.330 2.455 2.179 2.580 . 0 0 "[ . 1 . 2]" 1
1198 1 104 GLU H 1 104 GLU HB3 3.810 . 3.810 3.417 2.559 3.643 . 0 0 "[ . 1 . 2]" 1
1199 1 104 GLU H 1 104 GLU HG2 4.750 . 4.750 3.403 1.989 4.523 . 0 0 "[ . 1 . 2]" 1
1200 1 104 GLU H 1 104 GLU QG 4.000 . 4.000 2.509 1.975 4.020 0.020 16 0 "[ . 1 . 2]" 1
1201 1 104 GLU H 1 104 GLU HG3 4.750 . 4.750 2.839 2.064 4.551 . 0 0 "[ . 1 . 2]" 1
1202 1 104 GLU H 1 105 LEU H 4.540 . 4.540 2.724 2.552 2.916 . 0 0 "[ . 1 . 2]" 1
1203 1 104 GLU HA 1 104 GLU QB 2.720 . 2.720 2.382 2.192 2.505 . 0 0 "[ . 1 . 2]" 1
1204 1 104 GLU HA 1 104 GLU HG2 3.830 . 3.830 2.879 2.499 3.802 . 0 0 "[ . 1 . 2]" 1
1205 1 104 GLU HA 1 104 GLU QG 3.340 . 3.340 2.606 2.430 3.375 0.035 18 0 "[ . 1 . 2]" 1
1206 1 104 GLU HA 1 104 GLU HG3 3.830 . 3.830 3.213 2.611 3.865 0.035 18 0 "[ . 1 . 2]" 1
1207 1 104 GLU QB 1 105 LEU H 4.050 . 4.050 2.571 2.232 3.515 . 0 0 "[ . 1 . 2]" 1
1208 1 104 GLU QB 1 105 LEU MD2 4.940 . 4.940 3.131 2.182 3.931 . 0 0 "[ . 1 . 2]" 1
1209 1 104 GLU QG 1 105 LEU H 5.110 . 5.110 4.009 2.291 4.480 . 0 0 "[ . 1 . 2]" 1
1210 1 104 GLU QG 1 105 LEU MD2 5.270 . 5.270 4.556 2.326 5.326 0.056 19 0 "[ . 1 . 2]" 1
1211 1 104 GLU HG2 1 105 LEU H 5.830 . 5.830 4.746 2.562 5.160 . 0 0 "[ . 1 . 2]" 1
1212 1 104 GLU HG2 1 105 LEU MD2 6.130 . 6.130 5.269 3.114 6.164 0.034 19 0 "[ . 1 . 2]" 1
1213 1 104 GLU HG3 1 105 LEU H 5.830 . 5.830 4.403 2.582 5.111 . 0 0 "[ . 1 . 2]" 1
1214 1 104 GLU HG3 1 105 LEU MD2 6.130 . 6.130 5.095 2.350 5.923 . 0 0 "[ . 1 . 2]" 1
1215 1 105 LEU H 1 105 LEU HB2 3.680 . 3.680 2.472 2.336 2.549 . 0 0 "[ . 1 . 2]" 1
1216 1 105 LEU H 1 105 LEU QB 3.160 . 3.160 2.432 2.307 2.503 . 0 0 "[ . 1 . 2]" 1
1217 1 105 LEU H 1 105 LEU HB3 3.680 . 3.680 3.621 3.570 3.660 . 0 0 "[ . 1 . 2]" 1
1218 1 105 LEU H 1 105 LEU MD1 4.960 . 4.960 3.796 3.583 3.914 . 0 0 "[ . 1 . 2]" 1
1219 1 105 LEU H 1 105 LEU MD2 4.490 . 4.490 3.071 2.012 3.623 . 0 0 "[ . 1 . 2]" 1
1220 1 105 LEU H 1 105 LEU HG 3.680 . 3.680 2.667 2.299 3.993 0.313 20 0 "[ . 1 . 2]" 1
1221 1 105 LEU HA 1 105 LEU MD1 3.690 . 3.690 3.582 2.035 3.879 0.189 3 0 "[ . 1 . 2]" 1
1222 1 105 LEU HA 1 105 LEU MD2 2.970 . 2.970 2.153 1.954 2.947 . 0 0 "[ . 1 . 2]" 1
1223 1 105 LEU HA 1 108 ILE H 3.740 . 3.740 3.064 2.743 3.436 . 0 0 "[ . 1 . 2]" 1
1224 1 105 LEU HA 1 108 ILE HB 3.820 . 3.820 2.341 1.936 2.893 . 0 0 "[ . 1 . 2]" 1
1225 1 105 LEU HA 1 108 ILE HG12 4.910 . 4.910 3.402 2.097 4.332 . 0 0 "[ . 1 . 2]" 1
1226 1 105 LEU HA 1 108 ILE QG 4.230 . 4.230 3.145 1.985 4.036 . 0 0 "[ . 1 . 2]" 1
1227 1 105 LEU HA 1 108 ILE HG13 4.910 . 4.910 3.713 2.451 4.910 0.000 15 0 "[ . 1 . 2]" 1
1228 1 105 LEU HA 1 108 ILE MG 4.060 . 4.060 3.759 3.546 4.028 . 0 0 "[ . 1 . 2]" 1
1229 1 105 LEU QB 1 105 LEU MD1 2.980 . 2.980 2.180 2.127 2.375 . 0 0 "[ . 1 . 2]" 1
1230 1 105 LEU QB 1 106 LYS H 3.730 . 3.730 3.158 2.878 3.425 . 0 0 "[ . 1 . 2]" 1
1231 1 105 LEU QB 1 107 GLU H 5.610 . 5.610 4.862 4.457 5.190 . 0 0 "[ . 1 . 2]" 1
1232 1 105 LEU HB2 1 105 LEU MD1 3.500 . 3.500 2.567 2.400 3.260 . 0 0 "[ . 1 . 2]" 1
1233 1 105 LEU HB3 1 105 LEU MD1 3.500 . 3.500 2.387 2.351 2.440 . 0 0 "[ . 1 . 2]" 1
1234 1 105 LEU MD1 1 108 ILE HB 5.270 . 5.270 4.745 2.312 5.415 0.145 15 0 "[ . 1 . 2]" 1
1235 1 105 LEU MD2 1 106 LYS H 5.290 . 5.290 4.630 4.213 4.828 . 0 0 "[ . 1 . 2]" 1
1236 1 105 LEU MD2 1 106 LYS QG 5.820 . 5.820 5.808 5.003 6.025 0.205 17 0 "[ . 1 . 2]" 1
1237 1 105 LEU MD2 1 108 ILE HB 4.160 . 4.160 3.021 2.444 4.211 0.051 20 0 "[ . 1 . 2]" 1
1238 1 106 LYS H 1 106 LYS QB 3.300 . 3.300 2.510 2.328 2.751 . 0 0 "[ . 1 . 2]" 1
1239 1 106 LYS H 1 106 LYS QD 4.760 . 4.760 3.854 2.994 4.521 . 0 0 "[ . 1 . 2]" 1
1240 1 106 LYS H 1 106 LYS QE 5.600 . 5.600 4.054 2.897 5.052 . 0 0 "[ . 1 . 2]" 1
1241 1 106 LYS H 1 106 LYS HG2 4.280 . 4.280 2.774 1.919 3.832 . 0 0 "[ . 1 . 2]" 1
1242 1 106 LYS H 1 106 LYS QG 3.360 . 3.360 2.259 1.910 2.694 . 0 0 "[ . 1 . 2]" 1
1243 1 106 LYS H 1 106 LYS HG3 4.280 . 4.280 3.076 1.970 3.869 . 0 0 "[ . 1 . 2]" 1
1244 1 106 LYS H 1 107 GLU QG 5.250 . 5.250 4.242 3.678 5.068 . 0 0 "[ . 1 . 2]" 1
1245 1 106 LYS HA 1 106 LYS QD 3.630 . 3.630 3.063 2.045 3.996 0.366 12 0 "[ . 1 . 2]" 1
1246 1 106 LYS HA 1 106 LYS HG2 4.000 . 4.000 3.094 2.356 4.230 0.230 1 0 "[ . 1 . 2]" 1
1247 1 106 LYS HA 1 106 LYS HG3 4.000 . 4.000 3.624 2.958 3.911 . 0 0 "[ . 1 . 2]" 1
1248 1 106 LYS QB 1 107 GLU H 3.740 . 3.740 2.975 2.480 3.985 0.245 7 0 "[ . 1 . 2]" 1
1249 1 106 LYS QE 1 107 GLU H 6.300 . 6.300 5.297 4.086 6.376 0.076 2 0 "[ . 1 . 2]" 1
1250 1 107 GLU H 1 107 GLU HB2 3.980 . 3.980 3.201 2.289 3.988 0.008 7 0 "[ . 1 . 2]" 1
1251 1 107 GLU H 1 107 GLU QB 3.390 . 3.390 2.704 2.264 3.235 . 0 0 "[ . 1 . 2]" 1
1252 1 107 GLU H 1 107 GLU HB3 3.980 . 3.980 3.314 2.669 3.760 . 0 0 "[ . 1 . 2]" 1
1253 1 107 GLU H 1 107 GLU HG2 4.750 . 4.750 2.710 1.876 4.116 . 0 0 "[ . 1 . 2]" 1
1254 1 107 GLU H 1 107 GLU QG 3.970 . 3.970 2.400 1.864 3.053 . 0 0 "[ . 1 . 2]" 1
1255 1 107 GLU H 1 107 GLU HG3 4.750 . 4.750 3.241 2.805 4.040 . 0 0 "[ . 1 . 2]" 1
1256 1 107 GLU H 1 108 ILE H 4.180 . 4.180 2.248 1.874 2.541 . 0 0 "[ . 1 . 2]" 1
1257 1 107 GLU H 1 108 ILE HB 4.680 . 4.680 4.501 4.073 4.717 0.037 19 0 "[ . 1 . 2]" 1
1258 1 107 GLU H 1 108 ILE HG12 5.760 . 5.760 3.793 2.811 4.261 . 0 0 "[ . 1 . 2]" 1
1259 1 107 GLU H 1 108 ILE QG 4.890 . 4.890 3.720 2.785 4.155 . 0 0 "[ . 1 . 2]" 1
1260 1 107 GLU H 1 108 ILE HG13 5.760 . 5.760 5.401 4.517 5.786 0.026 20 0 "[ . 1 . 2]" 1
1261 1 107 GLU HA 1 107 GLU QB 2.760 . 2.760 2.288 2.177 2.492 . 0 0 "[ . 1 . 2]" 1
1262 1 107 GLU HA 1 107 GLU HG2 3.990 . 3.990 3.344 2.495 3.878 . 0 0 "[ . 1 . 2]" 1
1263 1 107 GLU HA 1 107 GLU QG 3.490 . 3.490 3.065 2.382 3.397 . 0 0 "[ . 1 . 2]" 1
1264 1 107 GLU HA 1 107 GLU HG3 3.990 . 3.990 3.631 2.992 3.980 . 0 0 "[ . 1 . 2]" 1
1265 1 107 GLU HA 1 108 ILE H 3.730 . 3.730 3.440 3.135 3.575 . 0 0 "[ . 1 . 2]" 1
1266 1 107 GLU HB2 1 108 ILE H 5.500 . 5.500 3.663 2.442 4.533 . 0 0 "[ . 1 . 2]" 1
1267 1 107 GLU HB3 1 108 ILE H 5.500 . 5.500 4.143 3.438 4.663 . 0 0 "[ . 1 . 2]" 1
1268 1 107 GLU QG 1 108 ILE H 4.850 . 4.850 3.471 2.287 4.530 . 0 0 "[ . 1 . 2]" 1
1269 1 107 GLU HG2 1 108 ILE H 5.710 . 5.710 3.994 2.571 5.343 . 0 0 "[ . 1 . 2]" 1
1270 1 107 GLU HG3 1 108 ILE H 5.710 . 5.710 3.876 2.466 5.322 . 0 0 "[ . 1 . 2]" 1
1271 1 108 ILE H 1 108 ILE HB 3.280 . 3.280 2.550 2.428 2.652 . 0 0 "[ . 1 . 2]" 1
1272 1 108 ILE H 1 108 ILE MD 3.650 . 3.650 3.428 3.121 3.660 0.010 5 0 "[ . 1 . 2]" 1
1273 1 108 ILE H 1 108 ILE HG12 4.120 . 4.120 2.439 2.116 2.714 . 0 0 "[ . 1 . 2]" 1
1274 1 108 ILE H 1 108 ILE QG 3.440 . 3.440 2.413 2.102 2.676 . 0 0 "[ . 1 . 2]" 1
1275 1 108 ILE H 1 108 ILE HG13 4.120 . 4.120 3.849 3.614 4.063 . 0 0 "[ . 1 . 2]" 1
1276 1 108 ILE H 1 108 ILE MG 4.700 . 4.700 3.852 3.805 3.898 . 0 0 "[ . 1 . 2]" 1
1277 1 108 ILE HA 1 108 ILE MD 3.620 . 3.620 2.120 2.022 2.222 . 0 0 "[ . 1 . 2]" 1
1278 1 108 ILE HA 1 108 ILE HG12 4.030 . 4.030 3.146 2.970 3.263 . 0 0 "[ . 1 . 2]" 1
1279 1 108 ILE HA 1 108 ILE HG13 4.030 . 4.030 3.795 3.717 3.857 . 0 0 "[ . 1 . 2]" 1
1280 1 108 ILE HA 1 108 ILE MG 3.190 . 3.190 2.490 2.404 2.610 . 0 0 "[ . 1 . 2]" 1
1281 1 108 ILE HA 1 111 ALA MB 4.450 . 4.450 3.754 2.372 4.670 0.220 13 0 "[ . 1 . 2]" 1
1282 1 108 ILE HB 1 108 ILE MD 3.640 . 3.640 3.288 3.279 3.295 . 0 0 "[ . 1 . 2]" 1
1283 1 108 ILE HB 1 109 ARG H 5.130 . 5.130 3.959 2.208 4.584 . 0 0 "[ . 1 . 2]" 1
1284 1 108 ILE QG 1 108 ILE MG 3.240 . 3.240 2.337 2.308 2.360 . 0 0 "[ . 1 . 2]" 1
1285 1 108 ILE MG 1 109 ARG H 5.070 . 5.070 3.579 2.778 4.232 . 0 0 "[ . 1 . 2]" 1
1286 1 108 ILE MG 1 111 ALA HA 5.120 . 5.120 4.034 2.225 4.979 . 0 0 "[ . 1 . 2]" 1
1287 1 108 ILE MG 1 111 ALA MB 3.340 . 3.340 2.178 1.693 3.478 0.138 3 0 "[ . 1 . 2]" 1
1288 1 109 ARG H 1 109 ARG QB 3.790 . 3.790 2.603 2.246 3.418 . 0 0 "[ . 1 . 2]" 1
1289 1 109 ARG H 1 109 ARG HG2 5.580 . 5.580 4.251 2.959 4.824 . 0 0 "[ . 1 . 2]" 1
1290 1 109 ARG H 1 109 ARG QG 4.830 . 4.830 3.655 2.736 4.274 . 0 0 "[ . 1 . 2]" 1
1291 1 109 ARG H 1 109 ARG HG3 5.580 . 5.580 4.102 2.938 4.995 . 0 0 "[ . 1 . 2]" 1
1292 1 109 ARG HA 1 109 ARG QB 2.760 . 2.760 2.422 2.354 2.492 . 0 0 "[ . 1 . 2]" 1
1293 1 109 ARG HA 1 109 ARG QD 3.710 . 3.710 3.280 1.997 4.121 0.411 1 0 "[ . 1 . 2]" 1
1294 1 109 ARG HA 1 109 ARG QG 2.970 . 2.970 2.556 2.254 3.058 0.088 10 0 "[ . 1 . 2]" 1
1295 1 109 ARG QB 1 109 ARG QD 2.920 . 2.920 2.331 2.142 2.502 . 0 0 "[ . 1 . 2]" 1
1296 1 109 ARG HB2 1 109 ARG QD 3.460 . 3.460 2.686 2.395 3.365 . 0 0 "[ . 1 . 2]" 1
1297 1 109 ARG HB3 1 109 ARG QD 3.460 . 3.460 2.846 2.176 3.381 . 0 0 "[ . 1 . 2]" 1
1298 1 110 LYS HA 1 110 LYS QB 2.620 . 2.620 2.410 2.349 2.526 . 0 0 "[ . 1 . 2]" 1
1299 1 110 LYS HA 1 110 LYS QD 3.480 . 3.480 2.522 2.033 3.938 0.458 17 0 "[ . 1 . 2]" 1
1300 1 110 LYS HA 1 110 LYS QE 5.520 . 5.520 4.019 2.745 5.060 . 0 0 "[ . 1 . 2]" 1
1301 1 110 LYS HA 1 110 LYS QG 3.240 . 3.240 2.836 2.353 3.121 . 0 0 "[ . 1 . 2]" 1
1302 1 111 ALA MB 1 113 THR H 5.380 . 5.380 4.813 3.526 5.576 0.196 5 0 "[ . 1 . 2]" 1
1303 1 112 MET H 1 112 MET QG 5.060 . 5.060 3.367 1.971 4.555 . 0 0 "[ . 1 . 2]" 1
1304 1 112 MET HA 1 112 MET QG 3.770 . 3.770 2.900 2.461 3.408 . 0 0 "[ . 1 . 2]" 1
1305 1 112 MET HA 1 113 THR H 3.610 . 3.610 2.747 2.165 3.597 . 0 0 "[ . 1 . 2]" 1
1306 1 112 MET QB 1 113 THR H 4.220 . 4.220 3.398 2.033 4.040 . 0 0 "[ . 1 . 2]" 1
1307 1 112 MET HB2 1 113 THR H 4.950 . 4.950 4.049 2.045 4.631 . 0 0 "[ . 1 . 2]" 1
1308 1 112 MET HB3 1 113 THR H 4.950 . 4.950 3.863 2.091 4.532 . 0 0 "[ . 1 . 2]" 1
1309 1 113 THR H 1 113 THR HB 4.340 . 4.340 3.377 2.558 3.899 . 0 0 "[ . 1 . 2]" 1
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