NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
593852 |
2n3a   |
25639 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n3a
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 928
_Distance_constraint_stats_list.Viol_count 582
_Distance_constraint_stats_list.Viol_total 1487.910
_Distance_constraint_stats_list.Viol_max 0.469
_Distance_constraint_stats_list.Viol_rms 0.0180
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0019
_Distance_constraint_stats_list.Viol_average_violations_only 0.0882
_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
2 1 MET 3.684 0.324 22 0 "[ . 1 . 2 . ]"
2 2 ASP 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 3 SER 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 4 ARG 2.248 0.256 1 0 "[ . 1 . 2 . ]"
2 5 LEU 3.866 0.324 22 0 "[ . 1 . 2 . ]"
2 6 GLN 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 7 ARG 0.032 0.032 22 0 "[ . 1 . 2 . ]"
2 8 ILE 0.174 0.052 6 0 "[ . 1 . 2 . ]"
2 9 HIS 1.867 0.281 8 0 "[ . 1 . 2 . ]"
2 10 ALA 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 11 GLU 0.264 0.177 27 0 "[ . 1 . 2 . ]"
2 12 ILE 7.913 0.447 29 0 "[ . 1 . 2 . ]"
2 13 LYS 0.318 0.167 28 0 "[ . 1 . 2 . ]"
2 14 ASN 0.258 0.038 3 0 "[ . 1 . 2 . ]"
2 15 SER 2.431 0.212 21 0 "[ . 1 . 2 . ]"
2 16 LEU 7.199 0.382 27 0 "[ . 1 . 2 . ]"
2 17 LYS 0.571 0.086 12 0 "[ . 1 . 2 . ]"
2 18 ILE 0.354 0.146 24 0 "[ . 1 . 2 . ]"
2 19 ASP 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 20 ASN 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 21 LEU 6.761 0.358 11 0 "[ . 1 . 2 . ]"
2 22 ASP 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 23 VAL 2.767 0.460 16 0 "[ . 1 . 2 . ]"
2 24 ASN 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 25 ARG 0.002 0.001 12 0 "[ . 1 . 2 . ]"
2 26 CYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 27 ILE 0.736 0.177 1 0 "[ . 1 . 2 . ]"
2 28 GLU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 29 ALA 0.212 0.177 27 0 "[ . 1 . 2 . ]"
2 30 LEU 3.317 0.305 29 0 "[ . 1 . 2 . ]"
2 31 ASP 0.048 0.048 24 0 "[ . 1 . 2 . ]"
2 32 GLU 0.155 0.052 6 0 "[ . 1 . 2 . ]"
2 33 LEU 1.445 0.146 29 0 "[ . 1 . 2 . ]"
2 34 ALA 0.310 0.162 11 0 "[ . 1 . 2 . ]"
2 35 SER 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 36 LEU 0.116 0.054 17 0 "[ . 1 . 2 . ]"
2 37 GLN 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 38 VAL 1.436 0.434 14 0 "[ . 1 . 2 . ]"
2 39 THR 0.164 0.039 5 0 "[ . 1 . 2 . ]"
2 40 MET 0.002 0.002 23 0 "[ . 1 . 2 . ]"
2 41 GLN 0.445 0.129 21 0 "[ . 1 . 2 . ]"
2 42 GLN 0.676 0.316 15 0 "[ . 1 . 2 . ]"
2 43 ALA 1.231 0.237 10 0 "[ . 1 . 2 . ]"
2 44 GLN 0.465 0.129 21 0 "[ . 1 . 2 . ]"
2 45 LYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 46 HIS 0.011 0.006 14 0 "[ . 1 . 2 . ]"
2 47 THR 10.512 0.469 26 0 "[ . 1 . 2 . ]"
2 48 GLU 5.571 0.385 6 0 "[ . 1 . 2 . ]"
2 49 MET 1.589 0.217 18 0 "[ . 1 . 2 . ]"
2 50 ILE 5.268 0.469 26 0 "[ . 1 . 2 . ]"
2 51 THR 0.009 0.009 25 0 "[ . 1 . 2 . ]"
2 52 THR 4.002 0.447 29 0 "[ . 1 . 2 . ]"
2 53 LEU 2.194 0.359 14 0 "[ . 1 . 2 . ]"
2 54 LYS 0.579 0.236 29 0 "[ . 1 . 2 . ]"
2 55 LYS 0.573 0.142 28 0 "[ . 1 . 2 . ]"
2 56 ILE 1.756 0.382 27 0 "[ . 1 . 2 . ]"
2 57 ARG 0.079 0.051 17 0 "[ . 1 . 2 . ]"
2 58 ARG 0.659 0.209 26 0 "[ . 1 . 2 . ]"
2 59 PHE 0.368 0.116 13 0 "[ . 1 . 2 . ]"
2 60 LYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 61 VAL 3.724 0.460 16 0 "[ . 1 . 2 . ]"
2 62 SER 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 63 GLN 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 64 VAL 1.013 0.177 1 0 "[ . 1 . 2 . ]"
2 65 ILE 0.298 0.117 26 0 "[ . 1 . 2 . ]"
2 66 MET 0.405 0.077 29 0 "[ . 1 . 2 . ]"
2 67 GLU 0.302 0.058 21 0 "[ . 1 . 2 . ]"
2 68 LYS 0.453 0.104 4 0 "[ . 1 . 2 . ]"
2 69 SER 0.006 0.006 16 0 "[ . 1 . 2 . ]"
2 70 THR 0.201 0.071 29 0 "[ . 1 . 2 . ]"
2 71 MET 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 72 LEU 1.561 0.205 26 0 "[ . 1 . 2 . ]"
2 73 TYR 3.349 0.305 29 0 "[ . 1 . 2 . ]"
2 74 ASN 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 75 LYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 76 PHE 2.074 0.434 14 0 "[ . 1 . 2 . ]"
2 77 LYS 0.097 0.031 17 0 "[ . 1 . 2 . ]"
2 78 ASN 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 79 MET 1.012 0.237 10 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 2 1 MET HA 2 1 MET ME 4.140 . 4.140 3.231 2.014 4.221 0.081 25 0 "[ . 1 . 2 . ]" 1
2 2 1 MET HA 2 4 ARG H 4.220 . 4.220 3.534 3.037 3.911 . 0 0 "[ . 1 . 2 . ]" 1
3 2 1 MET HA 2 4 ARG QB 4.340 . 4.340 3.037 2.247 3.716 . 0 0 "[ . 1 . 2 . ]" 1
4 2 1 MET QB 2 2 ASP H 4.080 . 4.080 2.596 2.162 3.276 . 0 0 "[ . 1 . 2 . ]" 1
5 2 1 MET QB 2 5 LEU QD 5.280 . 5.280 4.139 3.248 4.863 . 0 0 "[ . 1 . 2 . ]" 1
6 2 1 MET ME 2 1 MET QG 3.430 . 3.430 2.255 2.134 2.432 . 0 0 "[ . 1 . 2 . ]" 1
7 2 1 MET ME 2 4 ARG QD 4.560 . 4.560 3.876 2.511 4.774 0.214 26 0 "[ . 1 . 2 . ]" 1
8 2 1 MET ME 2 4 ARG QG 4.620 . 4.620 4.315 2.904 4.876 0.256 1 0 "[ . 1 . 2 . ]" 1
9 2 1 MET ME 2 5 LEU MD1 5.200 . 5.200 2.852 2.121 4.588 . 0 0 "[ . 1 . 2 . ]" 1
10 2 1 MET ME 2 5 LEU QD 4.210 . 4.210 2.644 2.002 4.048 . 0 0 "[ . 1 . 2 . ]" 1
11 2 1 MET ME 2 5 LEU MD2 5.200 . 5.200 3.637 2.226 5.247 0.047 14 0 "[ . 1 . 2 . ]" 1
12 2 1 MET ME 2 36 LEU HA 5.020 . 5.020 4.019 3.304 4.799 . 0 0 "[ . 1 . 2 . ]" 1
13 2 1 MET ME 2 36 LEU QB 3.970 . 3.970 2.388 2.010 3.542 . 0 0 "[ . 1 . 2 . ]" 1
14 2 1 MET ME 2 36 LEU MD1 3.910 . 3.910 2.414 2.144 3.165 . 0 0 "[ . 1 . 2 . ]" 1
15 2 1 MET ME 2 36 LEU MD2 3.580 . 3.580 2.387 2.073 3.153 . 0 0 "[ . 1 . 2 . ]" 1
16 2 1 MET ME 2 38 VAL HA 5.370 . 5.370 3.266 2.198 5.381 0.011 17 0 "[ . 1 . 2 . ]" 1
17 2 1 MET ME 2 38 VAL QG 3.560 . 3.560 2.621 2.032 3.727 0.167 15 0 "[ . 1 . 2 . ]" 1
18 2 1 MET QG 2 5 LEU QD 3.800 . 3.800 3.039 2.030 4.124 0.324 22 0 "[ . 1 . 2 . ]" 1
19 2 2 ASP HA 2 5 LEU H 4.440 . 4.440 3.415 3.088 3.720 . 0 0 "[ . 1 . 2 . ]" 1
20 2 3 SER QB 2 4 ARG H 4.030 . 4.030 3.021 2.591 3.628 . 0 0 "[ . 1 . 2 . ]" 1
21 2 4 ARG H 2 4 ARG QB 3.480 . 3.480 2.259 2.041 2.383 . 0 0 "[ . 1 . 2 . ]" 1
22 2 4 ARG H 2 4 ARG HG2 4.720 . 4.720 4.441 3.400 4.665 . 0 0 "[ . 1 . 2 . ]" 1
23 2 4 ARG H 2 4 ARG HG3 4.720 . 4.720 4.372 3.529 4.551 . 0 0 "[ . 1 . 2 . ]" 1
24 2 4 ARG H 2 5 LEU H 3.660 . 3.660 2.508 2.399 2.608 . 0 0 "[ . 1 . 2 . ]" 1
25 2 4 ARG HA 2 4 ARG QD 4.340 . 4.340 3.631 2.235 4.250 . 0 0 "[ . 1 . 2 . ]" 1
26 2 4 ARG HA 2 7 ARG H 4.360 . 4.360 3.418 3.105 3.766 . 0 0 "[ . 1 . 2 . ]" 1
27 2 4 ARG HA 2 8 ILE H 4.880 . 4.880 4.259 4.045 4.534 . 0 0 "[ . 1 . 2 . ]" 1
28 2 4 ARG QB 2 5 LEU H 3.780 . 3.780 2.586 2.386 2.758 . 0 0 "[ . 1 . 2 . ]" 1
29 2 4 ARG QB 2 6 GLN H 5.280 . 5.280 4.732 4.568 4.852 . 0 0 "[ . 1 . 2 . ]" 1
30 2 4 ARG QD 2 36 LEU MD1 4.380 . 4.380 2.775 2.060 4.370 . 0 0 "[ . 1 . 2 . ]" 1
31 2 4 ARG QD 2 36 LEU MD2 4.090 . 4.090 2.669 1.987 4.129 0.039 29 0 "[ . 1 . 2 . ]" 1
32 2 4 ARG QG 2 36 LEU MD1 3.650 . 3.650 2.546 2.079 3.276 . 0 0 "[ . 1 . 2 . ]" 1
33 2 4 ARG QG 2 36 LEU MD2 3.910 . 3.910 3.279 2.413 3.964 0.054 17 0 "[ . 1 . 2 . ]" 1
34 2 4 ARG QG 2 36 LEU HG 5.100 . 5.100 4.670 4.089 5.103 0.003 28 0 "[ . 1 . 2 . ]" 1
35 2 4 ARG HG2 2 36 LEU MD1 4.450 . 4.450 2.725 2.149 4.313 . 0 0 "[ . 1 . 2 . ]" 1
36 2 4 ARG HG3 2 36 LEU MD1 4.450 . 4.450 3.680 2.363 4.194 . 0 0 "[ . 1 . 2 . ]" 1
37 2 5 LEU H 2 5 LEU QB 3.500 . 3.500 2.249 2.073 2.498 . 0 0 "[ . 1 . 2 . ]" 1
38 2 5 LEU H 2 5 LEU MD1 4.260 . 4.260 3.098 2.426 3.744 . 0 0 "[ . 1 . 2 . ]" 1
39 2 5 LEU H 2 5 LEU QD 3.740 . 3.740 2.862 2.402 3.379 . 0 0 "[ . 1 . 2 . ]" 1
40 2 5 LEU H 2 5 LEU MD2 4.260 . 4.260 3.758 3.300 4.157 . 0 0 "[ . 1 . 2 . ]" 1
41 2 5 LEU H 2 6 GLN H 3.650 . 3.650 2.670 2.569 2.855 . 0 0 "[ . 1 . 2 . ]" 1
42 2 5 LEU HA 2 5 LEU MD1 4.540 . 4.540 3.106 2.245 3.920 . 0 0 "[ . 1 . 2 . ]" 1
43 2 5 LEU HA 2 5 LEU QD 3.240 . 3.240 2.241 2.034 2.517 . 0 0 "[ . 1 . 2 . ]" 1
44 2 5 LEU HA 2 5 LEU MD2 4.540 . 4.540 2.959 2.042 3.793 . 0 0 "[ . 1 . 2 . ]" 1
45 2 5 LEU HA 2 8 ILE H 4.330 . 4.330 3.371 3.199 3.712 . 0 0 "[ . 1 . 2 . ]" 1
46 2 5 LEU HA 2 8 ILE HB 4.210 . 4.210 2.737 2.443 3.114 . 0 0 "[ . 1 . 2 . ]" 1
47 2 5 LEU HA 2 8 ILE MD 3.870 . 3.870 2.572 2.299 2.866 . 0 0 "[ . 1 . 2 . ]" 1
48 2 5 LEU HA 2 8 ILE MG 4.770 . 4.770 4.166 3.889 4.436 . 0 0 "[ . 1 . 2 . ]" 1
49 2 5 LEU HA 2 49 MET ME 5.500 . 5.500 4.981 4.378 5.578 0.078 23 0 "[ . 1 . 2 . ]" 1
50 2 5 LEU QB 2 6 GLN H 3.830 . 3.830 2.673 2.498 2.784 . 0 0 "[ . 1 . 2 . ]" 1
51 2 5 LEU QB 2 49 MET ME 4.390 . 4.390 3.706 3.057 4.323 . 0 0 "[ . 1 . 2 . ]" 1
52 2 5 LEU HB2 2 6 GLN H 4.400 . 4.400 2.821 2.551 3.039 . 0 0 "[ . 1 . 2 . ]" 1
53 2 5 LEU HB3 2 6 GLN H 4.400 . 4.400 3.409 3.069 3.823 . 0 0 "[ . 1 . 2 . ]" 1
54 2 5 LEU QD 2 8 ILE MD 3.800 . 3.800 2.731 2.228 3.230 . 0 0 "[ . 1 . 2 . ]" 1
55 2 5 LEU QD 2 33 LEU QD 2.890 . 2.890 2.428 2.072 2.847 . 0 0 "[ . 1 . 2 . ]" 1
56 2 5 LEU QD 2 33 LEU HG 3.960 . 3.960 3.061 2.336 4.063 0.103 20 0 "[ . 1 . 2 . ]" 1
57 2 5 LEU QD 2 36 LEU MD1 3.940 . 3.940 2.209 2.053 2.592 . 0 0 "[ . 1 . 2 . ]" 1
58 2 5 LEU QD 2 36 LEU MD2 4.960 . 4.960 3.989 3.692 4.533 . 0 0 "[ . 1 . 2 . ]" 1
59 2 5 LEU QD 2 38 VAL HB 5.440 . 5.440 3.796 2.464 4.551 . 0 0 "[ . 1 . 2 . ]" 1
60 2 5 LEU QD 2 38 VAL QG 3.070 . 3.070 1.976 1.802 2.549 . 0 0 "[ . 1 . 2 . ]" 1
61 2 5 LEU QD 2 43 ALA HA 4.970 . 4.970 4.182 2.962 4.790 . 0 0 "[ . 1 . 2 . ]" 1
62 2 5 LEU QD 2 49 MET ME 3.290 . 3.290 2.352 2.100 3.329 0.039 4 0 "[ . 1 . 2 . ]" 1
63 2 5 LEU QD 2 49 MET QG 5.440 . 5.440 4.219 2.932 4.780 . 0 0 "[ . 1 . 2 . ]" 1
64 2 5 LEU MD1 2 33 LEU HG 4.690 . 4.690 4.243 3.306 4.807 0.117 27 0 "[ . 1 . 2 . ]" 1
65 2 5 LEU MD1 2 38 VAL MG1 4.040 . 4.040 2.883 1.962 4.314 0.274 8 0 "[ . 1 . 2 . ]" 1
66 2 5 LEU MD1 2 38 VAL MG2 4.040 . 4.040 2.628 2.035 3.635 . 0 0 "[ . 1 . 2 . ]" 1
67 2 5 LEU MD1 2 49 MET ME 3.830 . 3.830 3.326 2.360 4.047 0.217 18 0 "[ . 1 . 2 . ]" 1
68 2 5 LEU MD2 2 33 LEU HG 4.690 . 4.690 3.624 2.342 4.836 0.146 29 0 "[ . 1 . 2 . ]" 1
69 2 5 LEU MD2 2 38 VAL MG1 4.040 . 4.040 2.878 2.120 4.055 0.015 15 0 "[ . 1 . 2 . ]" 1
70 2 5 LEU MD2 2 38 VAL MG2 4.040 . 4.040 2.650 1.958 4.001 . 0 0 "[ . 1 . 2 . ]" 1
71 2 5 LEU MD2 2 49 MET ME 3.830 . 3.830 2.493 2.110 3.814 . 0 0 "[ . 1 . 2 . ]" 1
72 2 5 LEU HG 2 8 ILE MD 4.930 . 4.930 4.026 3.447 4.765 . 0 0 "[ . 1 . 2 . ]" 1
73 2 5 LEU HG 2 36 LEU MD1 5.500 . 5.500 3.589 2.495 4.159 . 0 0 "[ . 1 . 2 . ]" 1
74 2 5 LEU HG 2 38 VAL QG 4.840 . 4.840 3.639 3.000 4.562 . 0 0 "[ . 1 . 2 . ]" 1
75 2 6 GLN H 2 6 GLN HB2 3.790 . 3.790 2.414 2.309 2.521 . 0 0 "[ . 1 . 2 . ]" 1
76 2 6 GLN H 2 6 GLN QB 3.210 . 3.210 2.380 2.282 2.477 . 0 0 "[ . 1 . 2 . ]" 1
77 2 6 GLN H 2 6 GLN HB3 3.790 . 3.790 3.609 3.570 3.641 . 0 0 "[ . 1 . 2 . ]" 1
78 2 6 GLN H 2 6 GLN HG2 4.230 . 4.230 3.286 2.304 3.810 . 0 0 "[ . 1 . 2 . ]" 1
79 2 6 GLN H 2 6 GLN QG 3.500 . 3.500 2.411 2.283 2.678 . 0 0 "[ . 1 . 2 . ]" 1
80 2 6 GLN H 2 6 GLN HG3 4.230 . 4.230 2.789 2.338 3.769 . 0 0 "[ . 1 . 2 . ]" 1
81 2 6 GLN H 2 7 ARG H 3.500 . 3.500 2.757 2.634 2.882 . 0 0 "[ . 1 . 2 . ]" 1
82 2 6 GLN H 2 7 ARG QB 5.340 . 5.340 4.529 4.360 4.673 . 0 0 "[ . 1 . 2 . ]" 1
83 2 6 GLN HA 2 6 GLN HG2 4.090 . 4.090 2.630 2.409 3.177 . 0 0 "[ . 1 . 2 . ]" 1
84 2 6 GLN HA 2 6 GLN QG 3.580 . 3.580 2.508 2.332 3.021 . 0 0 "[ . 1 . 2 . ]" 1
85 2 6 GLN HA 2 6 GLN HG3 4.090 . 4.090 3.223 2.807 3.792 . 0 0 "[ . 1 . 2 . ]" 1
86 2 6 GLN QB 2 7 ARG H 3.640 . 3.640 2.606 2.439 2.898 . 0 0 "[ . 1 . 2 . ]" 1
87 2 6 GLN HB2 2 7 ARG H 4.170 . 4.170 2.680 2.505 3.000 . 0 0 "[ . 1 . 2 . ]" 1
88 2 6 GLN HB3 2 7 ARG H 4.170 . 4.170 3.567 3.359 3.831 . 0 0 "[ . 1 . 2 . ]" 1
89 2 6 GLN QG 2 7 ARG H 4.560 . 4.560 4.237 4.155 4.357 . 0 0 "[ . 1 . 2 . ]" 1
90 2 7 ARG H 2 7 ARG HB2 3.540 . 3.540 2.454 2.109 2.653 . 0 0 "[ . 1 . 2 . ]" 1
91 2 7 ARG H 2 7 ARG HB3 3.540 . 3.540 2.680 2.439 3.572 0.032 22 0 "[ . 1 . 2 . ]" 1
92 2 7 ARG H 2 7 ARG QG 4.600 . 4.600 3.923 2.474 4.105 . 0 0 "[ . 1 . 2 . ]" 1
93 2 7 ARG H 2 8 ILE H 3.500 . 3.500 2.714 2.579 2.801 . 0 0 "[ . 1 . 2 . ]" 1
94 2 7 ARG H 2 10 ALA MB 5.140 . 5.140 4.838 4.635 4.946 . 0 0 "[ . 1 . 2 . ]" 1
95 2 7 ARG HA 2 10 ALA H 4.350 . 4.350 3.487 3.281 3.654 . 0 0 "[ . 1 . 2 . ]" 1
96 2 7 ARG HA 2 10 ALA MB 3.680 . 3.680 2.771 2.556 2.985 . 0 0 "[ . 1 . 2 . ]" 1
97 2 7 ARG HA 2 11 GLU H 5.000 . 5.000 4.270 3.952 4.618 . 0 0 "[ . 1 . 2 . ]" 1
98 2 7 ARG QB 2 8 ILE H 3.640 . 3.640 2.524 2.407 2.740 . 0 0 "[ . 1 . 2 . ]" 1
99 2 7 ARG HB2 2 8 ILE H 4.320 . 4.320 3.741 2.723 3.951 . 0 0 "[ . 1 . 2 . ]" 1
100 2 7 ARG HB3 2 8 ILE H 4.320 . 4.320 2.602 2.433 3.551 . 0 0 "[ . 1 . 2 . ]" 1
101 2 8 ILE H 2 8 ILE HB 3.440 . 3.440 2.466 2.390 2.571 . 0 0 "[ . 1 . 2 . ]" 1
102 2 8 ILE H 2 8 ILE MD 3.950 . 3.950 3.465 3.384 3.561 . 0 0 "[ . 1 . 2 . ]" 1
103 2 8 ILE H 2 8 ILE HG12 4.130 . 4.130 3.630 3.518 3.708 . 0 0 "[ . 1 . 2 . ]" 1
104 2 8 ILE H 2 8 ILE QG 3.460 . 3.460 2.233 2.120 2.325 . 0 0 "[ . 1 . 2 . ]" 1
105 2 8 ILE H 2 8 ILE HG13 4.130 . 4.130 2.254 2.137 2.351 . 0 0 "[ . 1 . 2 . ]" 1
106 2 8 ILE H 2 8 ILE MG 3.820 . 3.820 3.795 3.758 3.847 0.027 26 0 "[ . 1 . 2 . ]" 1
107 2 8 ILE H 2 9 HIS H 3.650 . 3.650 2.679 2.596 2.780 . 0 0 "[ . 1 . 2 . ]" 1
108 2 8 ILE HA 2 8 ILE QG 3.700 . 3.700 2.402 2.369 2.454 . 0 0 "[ . 1 . 2 . ]" 1
109 2 8 ILE HA 2 8 ILE MG 3.690 . 3.690 2.471 2.410 2.531 . 0 0 "[ . 1 . 2 . ]" 1
110 2 8 ILE HA 2 11 GLU H 4.260 . 4.260 3.358 3.144 3.566 . 0 0 "[ . 1 . 2 . ]" 1
111 2 8 ILE HA 2 11 GLU HB2 4.470 . 4.470 3.191 2.759 3.986 . 0 0 "[ . 1 . 2 . ]" 1
112 2 8 ILE HA 2 11 GLU QB 3.920 . 3.920 2.722 2.390 3.197 . 0 0 "[ . 1 . 2 . ]" 1
113 2 8 ILE HA 2 11 GLU HB3 4.470 . 4.470 2.985 2.598 3.377 . 0 0 "[ . 1 . 2 . ]" 1
114 2 8 ILE HA 2 29 ALA MB 4.380 . 4.380 3.477 3.207 3.815 . 0 0 "[ . 1 . 2 . ]" 1
115 2 8 ILE HB 2 8 ILE MD 3.340 . 3.340 2.379 2.337 2.410 . 0 0 "[ . 1 . 2 . ]" 1
116 2 8 ILE HB 2 9 HIS H 3.800 . 3.800 2.644 2.503 2.767 . 0 0 "[ . 1 . 2 . ]" 1
117 2 8 ILE MD 2 8 ILE MG 3.000 . 3.000 2.117 2.086 2.143 . 0 0 "[ . 1 . 2 . ]" 1
118 2 8 ILE MD 2 9 HIS H 5.260 . 5.260 4.561 4.443 4.668 . 0 0 "[ . 1 . 2 . ]" 1
119 2 8 ILE MD 2 29 ALA MB 5.500 . 5.500 4.541 4.292 4.771 . 0 0 "[ . 1 . 2 . ]" 1
120 2 8 ILE MD 2 32 GLU H 4.900 . 4.900 4.675 4.387 4.952 0.052 6 0 "[ . 1 . 2 . ]" 1
121 2 8 ILE MD 2 32 GLU QB 4.140 . 4.140 2.565 2.154 3.876 . 0 0 "[ . 1 . 2 . ]" 1
122 2 8 ILE MD 2 32 GLU QG 4.460 . 4.460 3.693 2.124 4.317 . 0 0 "[ . 1 . 2 . ]" 1
123 2 8 ILE MD 2 33 LEU H 4.020 . 4.020 3.143 2.903 3.477 . 0 0 "[ . 1 . 2 . ]" 1
124 2 8 ILE MD 2 33 LEU HA 3.810 . 3.810 2.652 2.373 3.076 . 0 0 "[ . 1 . 2 . ]" 1
125 2 8 ILE MD 2 33 LEU QD 3.620 . 3.620 3.078 2.159 3.562 . 0 0 "[ . 1 . 2 . ]" 1
126 2 8 ILE MG 2 9 HIS H 4.280 . 4.280 3.379 3.221 3.571 . 0 0 "[ . 1 . 2 . ]" 1
127 2 8 ILE MG 2 12 ILE QG 3.730 . 3.730 2.863 2.599 3.151 . 0 0 "[ . 1 . 2 . ]" 1
128 2 8 ILE MG 2 29 ALA MB 3.470 . 3.470 2.143 1.980 2.340 . 0 0 "[ . 1 . 2 . ]" 1
129 2 8 ILE MG 2 33 LEU H 4.200 . 4.200 3.301 2.971 3.633 . 0 0 "[ . 1 . 2 . ]" 1
130 2 8 ILE MG 2 33 LEU HA 4.340 . 4.340 3.779 3.287 4.115 . 0 0 "[ . 1 . 2 . ]" 1
131 2 8 ILE MG 2 33 LEU HB2 4.200 . 4.200 2.348 2.055 2.754 . 0 0 "[ . 1 . 2 . ]" 1
132 2 8 ILE MG 2 33 LEU QB 3.480 . 3.480 2.327 2.042 2.713 . 0 0 "[ . 1 . 2 . ]" 1
133 2 8 ILE MG 2 33 LEU HB3 4.200 . 4.200 3.820 3.521 4.142 . 0 0 "[ . 1 . 2 . ]" 1
134 2 9 HIS H 2 9 HIS HB2 3.680 . 3.680 2.462 2.234 2.698 . 0 0 "[ . 1 . 2 . ]" 1
135 2 9 HIS H 2 9 HIS HB3 3.680 . 3.680 2.782 2.308 3.627 . 0 0 "[ . 1 . 2 . ]" 1
136 2 9 HIS H 2 10 ALA H 3.690 . 3.690 2.762 2.661 2.842 . 0 0 "[ . 1 . 2 . ]" 1
137 2 9 HIS H 2 12 ILE QG 4.890 . 4.890 4.636 4.189 5.010 0.120 13 0 "[ . 1 . 2 . ]" 1
138 2 9 HIS HA 2 9 HIS HD2 3.800 . 3.800 2.568 2.290 3.239 . 0 0 "[ . 1 . 2 . ]" 1
139 2 9 HIS HA 2 12 ILE MD 3.760 . 3.760 3.216 2.168 4.041 0.281 8 0 "[ . 1 . 2 . ]" 1
140 2 9 HIS HA 2 12 ILE MG 5.310 . 5.310 4.285 3.796 4.631 . 0 0 "[ . 1 . 2 . ]" 1
141 2 9 HIS QB 2 10 ALA H 3.660 . 3.660 2.620 2.455 3.050 . 0 0 "[ . 1 . 2 . ]" 1
142 2 9 HIS HB2 2 10 ALA H 4.210 . 4.210 3.643 2.544 4.034 . 0 0 "[ . 1 . 2 . ]" 1
143 2 9 HIS HB3 2 10 ALA H 4.210 . 4.210 2.897 2.484 3.793 . 0 0 "[ . 1 . 2 . ]" 1
144 2 10 ALA H 2 10 ALA MB 3.070 . 3.070 2.235 2.215 2.255 . 0 0 "[ . 1 . 2 . ]" 1
145 2 10 ALA H 2 11 GLU H 3.480 . 3.480 2.653 2.564 2.803 . 0 0 "[ . 1 . 2 . ]" 1
146 2 10 ALA HA 2 12 ILE H 5.500 . 5.500 4.299 4.055 4.503 . 0 0 "[ . 1 . 2 . ]" 1
147 2 10 ALA HA 2 13 LYS H 4.760 . 4.760 3.459 3.272 3.827 . 0 0 "[ . 1 . 2 . ]" 1
148 2 10 ALA MB 2 11 GLU H 3.600 . 3.600 2.567 2.497 2.649 . 0 0 "[ . 1 . 2 . ]" 1
149 2 11 GLU H 2 11 GLU QB 3.160 . 3.160 2.191 2.087 2.273 . 0 0 "[ . 1 . 2 . ]" 1
150 2 11 GLU H 2 11 GLU QG 4.770 . 4.770 4.045 3.973 4.095 . 0 0 "[ . 1 . 2 . ]" 1
151 2 11 GLU HA 2 11 GLU QG 3.490 . 3.490 2.629 2.189 2.904 . 0 0 "[ . 1 . 2 . ]" 1
152 2 11 GLU HA 2 14 ASN H 4.600 . 4.600 3.250 2.893 3.541 . 0 0 "[ . 1 . 2 . ]" 1
153 2 11 GLU HA 2 14 ASN HB2 4.490 . 4.490 3.126 2.078 3.712 . 0 0 "[ . 1 . 2 . ]" 1
154 2 11 GLU HA 2 14 ASN HB3 4.490 . 4.490 3.066 2.119 4.475 . 0 0 "[ . 1 . 2 . ]" 1
155 2 11 GLU QB 2 29 ALA MB 3.820 . 3.820 2.592 2.226 2.950 . 0 0 "[ . 1 . 2 . ]" 1
156 2 11 GLU HB2 2 29 ALA MB 4.360 . 4.360 3.909 3.521 4.357 . 0 0 "[ . 1 . 2 . ]" 1
157 2 11 GLU HB3 2 29 ALA MB 4.360 . 4.360 2.631 2.251 3.000 . 0 0 "[ . 1 . 2 . ]" 1
158 2 11 GLU QG 2 12 ILE H 5.070 . 5.070 4.040 3.608 4.479 . 0 0 "[ . 1 . 2 . ]" 1
159 2 11 GLU QG 2 14 ASN H 4.920 . 4.920 4.765 4.251 4.941 0.021 11 0 "[ . 1 . 2 . ]" 1
160 2 11 GLU QG 2 29 ALA MB 3.820 . 3.820 2.607 2.034 3.080 . 0 0 "[ . 1 . 2 . ]" 1
161 2 11 GLU HG2 2 29 ALA MB 4.390 . 4.390 2.750 2.046 3.302 . 0 0 "[ . 1 . 2 . ]" 1
162 2 11 GLU HG3 2 29 ALA MB 4.390 . 4.390 3.364 2.750 4.567 0.177 27 0 "[ . 1 . 2 . ]" 1
163 2 12 ILE H 2 12 ILE HB 3.940 . 3.940 2.576 2.409 2.736 . 0 0 "[ . 1 . 2 . ]" 1
164 2 12 ILE H 2 12 ILE MD 3.980 . 3.980 3.439 3.063 3.704 . 0 0 "[ . 1 . 2 . ]" 1
165 2 12 ILE H 2 12 ILE QG 3.180 . 3.180 2.166 2.048 2.283 . 0 0 "[ . 1 . 2 . ]" 1
166 2 12 ILE H 2 12 ILE MG 4.260 . 4.260 3.836 3.770 3.877 . 0 0 "[ . 1 . 2 . ]" 1
167 2 12 ILE H 2 13 LYS H 3.850 . 3.850 2.716 2.595 2.876 . 0 0 "[ . 1 . 2 . ]" 1
168 2 12 ILE H 2 15 SER HG 5.500 . 5.500 4.333 3.874 4.769 . 0 0 "[ . 1 . 2 . ]" 1
169 2 12 ILE H 2 29 ALA MB 4.430 . 4.430 3.727 3.494 4.026 . 0 0 "[ . 1 . 2 . ]" 1
170 2 12 ILE HA 2 12 ILE MD 4.420 . 4.420 3.065 2.159 3.851 . 0 0 "[ . 1 . 2 . ]" 1
171 2 12 ILE HA 2 12 ILE HG12 4.050 . 4.050 2.802 2.428 3.303 . 0 0 "[ . 1 . 2 . ]" 1
172 2 12 ILE HA 2 12 ILE HG13 4.050 . 4.050 3.366 2.805 3.889 . 0 0 "[ . 1 . 2 . ]" 1
173 2 12 ILE HA 2 12 ILE MG 3.590 . 3.590 2.439 2.353 2.515 . 0 0 "[ . 1 . 2 . ]" 1
174 2 12 ILE HA 2 15 SER H 4.640 . 4.640 3.466 3.170 3.986 . 0 0 "[ . 1 . 2 . ]" 1
175 2 12 ILE HA 2 15 SER QB 4.620 . 4.620 3.534 2.769 4.346 . 0 0 "[ . 1 . 2 . ]" 1
176 2 12 ILE HA 2 15 SER HG 4.210 . 4.210 2.258 1.653 3.567 . 0 0 "[ . 1 . 2 . ]" 1
177 2 12 ILE HA 2 26 CYS HA 4.390 . 4.390 3.646 3.295 4.033 . 0 0 "[ . 1 . 2 . ]" 1
178 2 12 ILE HA 2 29 ALA MB 3.920 . 3.920 3.575 3.318 3.918 . 0 0 "[ . 1 . 2 . ]" 1
179 2 12 ILE HB 2 13 LYS H 3.790 . 3.790 2.614 2.343 2.822 . 0 0 "[ . 1 . 2 . ]" 1
180 2 12 ILE HB 2 13 LYS QG 4.290 . 4.290 3.575 3.038 4.307 0.017 19 0 "[ . 1 . 2 . ]" 1
181 2 12 ILE HB 2 52 THR MG 4.320 . 4.320 3.263 2.635 3.902 . 0 0 "[ . 1 . 2 . ]" 1
182 2 12 ILE MD 2 15 SER HG 4.970 . 4.970 4.697 3.756 5.182 0.212 21 0 "[ . 1 . 2 . ]" 1
183 2 12 ILE MD 2 26 CYS HA 5.150 . 5.150 4.177 3.101 5.081 . 0 0 "[ . 1 . 2 . ]" 1
184 2 12 ILE MD 2 29 ALA MB 3.400 . 3.400 2.540 2.107 3.092 . 0 0 "[ . 1 . 2 . ]" 1
185 2 12 ILE MD 2 52 THR MG 3.750 . 3.750 3.796 3.004 4.197 0.447 29 0 "[ . 1 . 2 . ]" 1
186 2 12 ILE MD 2 53 LEU HA 5.500 . 5.500 4.860 3.924 5.369 . 0 0 "[ . 1 . 2 . ]" 1
187 2 12 ILE QG 2 29 ALA MB 4.000 . 4.000 2.736 2.047 3.712 . 0 0 "[ . 1 . 2 . ]" 1
188 2 12 ILE MG 2 13 LYS H 4.550 . 4.550 3.440 3.124 3.616 . 0 0 "[ . 1 . 2 . ]" 1
189 2 12 ILE MG 2 13 LYS HA 4.600 . 4.600 3.416 3.102 3.598 . 0 0 "[ . 1 . 2 . ]" 1
190 2 12 ILE MG 2 15 SER QB 5.340 . 5.340 4.718 3.729 5.379 0.039 17 0 "[ . 1 . 2 . ]" 1
191 2 12 ILE MG 2 16 LEU MD1 3.830 . 3.830 2.795 2.151 3.781 . 0 0 "[ . 1 . 2 . ]" 1
192 2 12 ILE MG 2 16 LEU HG 4.860 . 4.860 3.695 3.211 4.641 . 0 0 "[ . 1 . 2 . ]" 1
193 2 12 ILE MG 2 26 CYS HA 5.390 . 5.390 4.426 3.721 5.059 . 0 0 "[ . 1 . 2 . ]" 1
194 2 12 ILE MG 2 29 ALA MB 4.630 . 4.630 4.229 3.896 4.664 0.034 5 0 "[ . 1 . 2 . ]" 1
195 2 12 ILE MG 2 52 THR MG 3.340 . 3.340 2.440 2.085 3.169 . 0 0 "[ . 1 . 2 . ]" 1
196 2 12 ILE MG 2 53 LEU HA 5.500 . 5.500 4.445 3.457 5.191 . 0 0 "[ . 1 . 2 . ]" 1
197 2 13 LYS H 2 13 LYS HB2 4.140 . 4.140 2.399 2.214 2.553 . 0 0 "[ . 1 . 2 . ]" 1
198 2 13 LYS H 2 13 LYS QB 3.580 . 3.580 2.366 2.192 2.506 . 0 0 "[ . 1 . 2 . ]" 1
199 2 13 LYS H 2 13 LYS HB3 4.140 . 4.140 3.606 3.528 3.651 . 0 0 "[ . 1 . 2 . ]" 1
200 2 13 LYS H 2 13 LYS QG 4.480 . 4.480 2.540 2.267 3.558 . 0 0 "[ . 1 . 2 . ]" 1
201 2 13 LYS H 2 14 ASN H 3.910 . 3.910 2.644 2.547 2.744 . 0 0 "[ . 1 . 2 . ]" 1
202 2 13 LYS HA 2 13 LYS QE 4.120 . 4.120 3.795 3.135 4.287 0.167 28 0 "[ . 1 . 2 . ]" 1
203 2 13 LYS HA 2 15 SER H 5.420 . 5.420 4.358 3.929 4.719 . 0 0 "[ . 1 . 2 . ]" 1
204 2 13 LYS HB2 2 14 ASN H 4.320 . 4.320 2.877 2.503 3.289 . 0 0 "[ . 1 . 2 . ]" 1
205 2 13 LYS HB3 2 14 ASN H 4.320 . 4.320 3.691 3.431 3.989 . 0 0 "[ . 1 . 2 . ]" 1
206 2 14 ASN H 2 14 ASN HB2 3.840 . 3.840 2.420 2.186 2.727 . 0 0 "[ . 1 . 2 . ]" 1
207 2 14 ASN H 2 14 ASN QB 3.260 . 3.260 2.266 2.126 2.441 . 0 0 "[ . 1 . 2 . ]" 1
208 2 14 ASN H 2 14 ASN HB3 3.840 . 3.840 2.877 2.460 3.632 . 0 0 "[ . 1 . 2 . ]" 1
209 2 14 ASN H 2 15 SER H 3.570 . 3.570 2.510 2.151 2.823 . 0 0 "[ . 1 . 2 . ]" 1
210 2 14 ASN HA 2 16 LEU H 4.560 . 4.560 4.088 3.688 4.412 . 0 0 "[ . 1 . 2 . ]" 1
211 2 14 ASN HA 2 17 LYS H 4.540 . 4.540 4.253 3.801 4.575 0.035 4 0 "[ . 1 . 2 . ]" 1
212 2 14 ASN HA 2 17 LYS QD 4.220 . 4.220 2.936 2.261 4.006 . 0 0 "[ . 1 . 2 . ]" 1
213 2 14 ASN HA 2 17 LYS QE 4.590 . 4.590 2.882 1.874 4.628 0.038 3 0 "[ . 1 . 2 . ]" 1
214 2 14 ASN HA 2 17 LYS QG 4.160 . 4.160 2.597 2.114 3.809 . 0 0 "[ . 1 . 2 . ]" 1
215 2 14 ASN HB2 2 15 SER H 4.240 . 4.240 3.727 2.629 4.072 . 0 0 "[ . 1 . 2 . ]" 1
216 2 14 ASN HB3 2 15 SER H 4.240 . 4.240 3.088 2.642 4.010 . 0 0 "[ . 1 . 2 . ]" 1
217 2 15 SER H 2 15 SER HB2 4.060 . 4.060 3.382 2.477 3.682 . 0 0 "[ . 1 . 2 . ]" 1
218 2 15 SER H 2 15 SER QB 3.490 . 3.490 2.559 2.436 2.723 . 0 0 "[ . 1 . 2 . ]" 1
219 2 15 SER H 2 15 SER HB3 4.060 . 4.060 2.844 2.479 3.608 . 0 0 "[ . 1 . 2 . ]" 1
220 2 15 SER H 2 15 SER HG 3.700 . 3.700 2.192 1.961 3.148 . 0 0 "[ . 1 . 2 . ]" 1
221 2 15 SER H 2 16 LEU H 3.550 . 3.550 2.651 2.460 2.994 . 0 0 "[ . 1 . 2 . ]" 1
222 2 15 SER H 2 16 LEU HB2 5.160 . 5.160 5.080 4.639 5.220 0.060 13 0 "[ . 1 . 2 . ]" 1
223 2 15 SER H 2 16 LEU HG 4.690 . 4.690 4.257 3.989 4.676 . 0 0 "[ . 1 . 2 . ]" 1
224 2 15 SER HA 2 17 LYS H 4.880 . 4.880 3.970 3.741 4.398 . 0 0 "[ . 1 . 2 . ]" 1
225 2 15 SER HA 2 22 ASP QB 3.930 . 3.930 3.000 2.360 3.712 . 0 0 "[ . 1 . 2 . ]" 1
226 2 15 SER HG 2 16 LEU H 4.700 . 4.700 3.692 2.634 4.329 . 0 0 "[ . 1 . 2 . ]" 1
227 2 16 LEU H 2 16 LEU MD1 4.400 . 4.400 3.913 2.639 4.205 . 0 0 "[ . 1 . 2 . ]" 1
228 2 16 LEU H 2 16 LEU MD2 4.580 . 4.580 3.756 3.414 4.369 . 0 0 "[ . 1 . 2 . ]" 1
229 2 16 LEU H 2 16 LEU HG 3.580 . 3.580 2.835 2.388 3.349 . 0 0 "[ . 1 . 2 . ]" 1
230 2 16 LEU H 2 17 LYS H 3.660 . 3.660 2.711 2.116 3.348 . 0 0 "[ . 1 . 2 . ]" 1
231 2 16 LEU H 2 21 LEU MD1 4.860 . 4.860 4.888 4.600 5.043 0.183 26 0 "[ . 1 . 2 . ]" 1
232 2 16 LEU H 2 21 LEU QD 4.200 . 4.200 4.290 3.932 4.428 0.228 26 0 "[ . 1 . 2 . ]" 1
233 2 16 LEU H 2 21 LEU MD2 4.860 . 4.860 4.761 4.199 4.932 0.072 18 0 "[ . 1 . 2 . ]" 1
234 2 16 LEU HA 2 21 LEU QD 3.710 . 3.710 2.185 1.941 2.962 . 0 0 "[ . 1 . 2 . ]" 1
235 2 16 LEU MD1 2 56 ILE MD 3.810 . 3.810 3.058 2.439 3.483 . 0 0 "[ . 1 . 2 . ]" 1
236 2 16 LEU MD1 2 56 ILE MG 3.700 . 3.700 2.078 1.935 2.356 . 0 0 "[ . 1 . 2 . ]" 1
237 2 16 LEU MD1 2 65 ILE MD 4.970 . 4.970 3.537 2.626 4.341 . 0 0 "[ . 1 . 2 . ]" 1
238 2 16 LEU MD1 2 65 ILE MG 4.520 . 4.520 2.926 2.320 3.507 . 0 0 "[ . 1 . 2 . ]" 1
239 2 16 LEU MD2 2 21 LEU MD1 4.650 . 4.650 2.682 2.001 4.330 . 0 0 "[ . 1 . 2 . ]" 1
240 2 16 LEU MD2 2 21 LEU QD 3.700 . 3.700 2.197 1.975 3.100 . 0 0 "[ . 1 . 2 . ]" 1
241 2 16 LEU MD2 2 21 LEU MD2 4.650 . 4.650 2.718 2.022 3.665 . 0 0 "[ . 1 . 2 . ]" 1
242 2 16 LEU MD2 2 23 VAL HA 4.780 . 4.780 3.514 2.658 4.204 . 0 0 "[ . 1 . 2 . ]" 1
243 2 16 LEU MD2 2 23 VAL MG1 5.500 . 5.500 4.413 3.357 5.026 . 0 0 "[ . 1 . 2 . ]" 1
244 2 16 LEU MD2 2 23 VAL QG 4.520 . 4.520 3.699 2.863 4.363 . 0 0 "[ . 1 . 2 . ]" 1
245 2 16 LEU MD2 2 23 VAL MG2 5.500 . 5.500 3.982 3.105 4.789 . 0 0 "[ . 1 . 2 . ]" 1
246 2 16 LEU MD2 2 26 CYS H 5.340 . 5.340 4.463 3.826 5.297 . 0 0 "[ . 1 . 2 . ]" 1
247 2 16 LEU MD2 2 26 CYS HB2 4.740 . 4.740 2.675 2.252 3.385 . 0 0 "[ . 1 . 2 . ]" 1
248 2 16 LEU MD2 2 26 CYS QB 4.150 . 4.150 2.546 2.168 3.156 . 0 0 "[ . 1 . 2 . ]" 1
249 2 16 LEU MD2 2 26 CYS HB3 4.740 . 4.740 3.211 2.812 3.770 . 0 0 "[ . 1 . 2 . ]" 1
250 2 16 LEU MD2 2 56 ILE MD 4.840 . 4.840 4.739 4.290 5.222 0.382 27 0 "[ . 1 . 2 . ]" 1
251 2 16 LEU MD2 2 61 VAL QG 5.440 . 5.440 4.742 4.284 5.094 . 0 0 "[ . 1 . 2 . ]" 1
252 2 16 LEU MD2 2 65 ILE MD 3.910 . 3.910 2.313 2.069 2.715 . 0 0 "[ . 1 . 2 . ]" 1
253 2 16 LEU MD2 2 65 ILE MG 4.560 . 4.560 2.903 2.039 4.071 . 0 0 "[ . 1 . 2 . ]" 1
254 2 17 LYS H 2 17 LYS HB2 3.690 . 3.690 2.500 1.956 3.776 0.086 12 0 "[ . 1 . 2 . ]" 1
255 2 17 LYS H 2 17 LYS QB 3.180 . 3.180 2.304 1.940 2.848 . 0 0 "[ . 1 . 2 . ]" 1
256 2 17 LYS H 2 17 LYS HB3 3.690 . 3.690 3.379 2.606 3.649 . 0 0 "[ . 1 . 2 . ]" 1
257 2 17 LYS H 2 17 LYS HG2 4.150 . 4.150 3.637 2.037 4.193 0.043 10 0 "[ . 1 . 2 . ]" 1
258 2 17 LYS H 2 17 LYS QG 3.530 . 3.530 2.792 2.015 3.586 0.056 3 0 "[ . 1 . 2 . ]" 1
259 2 17 LYS H 2 17 LYS HG3 4.150 . 4.150 3.094 2.268 3.995 . 0 0 "[ . 1 . 2 . ]" 1
260 2 17 LYS H 2 21 LEU HA 4.620 . 4.620 3.389 2.763 4.181 . 0 0 "[ . 1 . 2 . ]" 1
261 2 17 LYS H 2 21 LEU QD 4.360 . 4.360 3.506 2.911 4.030 . 0 0 "[ . 1 . 2 . ]" 1
262 2 17 LYS HA 2 18 ILE H 3.350 . 3.350 2.337 2.219 2.506 . 0 0 "[ . 1 . 2 . ]" 1
263 2 17 LYS HA 2 18 ILE HA 4.670 . 4.670 4.334 4.213 4.441 . 0 0 "[ . 1 . 2 . ]" 1
264 2 17 LYS HA 2 18 ILE MG 5.500 . 5.500 4.100 3.261 5.548 0.048 20 0 "[ . 1 . 2 . ]" 1
265 2 17 LYS QB 2 18 ILE H 4.120 . 4.120 2.613 2.215 3.182 . 0 0 "[ . 1 . 2 . ]" 1
266 2 17 LYS HB2 2 18 ILE H 4.700 . 4.700 3.711 2.331 4.296 . 0 0 "[ . 1 . 2 . ]" 1
267 2 17 LYS HB3 2 18 ILE H 4.700 . 4.700 2.884 2.235 4.122 . 0 0 "[ . 1 . 2 . ]" 1
268 2 17 LYS QG 2 18 ILE H 4.100 . 4.100 3.460 3.043 4.115 0.015 17 0 "[ . 1 . 2 . ]" 1
269 2 18 ILE H 2 18 ILE HB 3.850 . 3.850 3.354 2.094 3.704 . 0 0 "[ . 1 . 2 . ]" 1
270 2 18 ILE H 2 18 ILE MD 4.820 . 4.820 3.736 3.392 4.474 . 0 0 "[ . 1 . 2 . ]" 1
271 2 18 ILE H 2 18 ILE HG12 4.420 . 4.420 2.439 1.884 4.407 . 0 0 "[ . 1 . 2 . ]" 1
272 2 18 ILE H 2 18 ILE QG 3.720 . 3.720 2.195 1.575 3.866 0.146 24 0 "[ . 1 . 2 . ]" 1
273 2 18 ILE H 2 18 ILE HG13 4.420 . 4.420 2.934 1.593 4.420 0.000 3 0 "[ . 1 . 2 . ]" 1
274 2 18 ILE H 2 18 ILE MG 4.000 . 4.000 2.593 1.921 3.811 . 0 0 "[ . 1 . 2 . ]" 1
275 2 18 ILE HA 2 18 ILE MD 4.350 . 4.350 4.107 2.527 4.288 . 0 0 "[ . 1 . 2 . ]" 1
276 2 18 ILE HA 2 18 ILE HG12 4.150 . 4.150 3.507 2.110 3.875 . 0 0 "[ . 1 . 2 . ]" 1
277 2 18 ILE HA 2 18 ILE HG13 4.150 . 4.150 3.577 2.286 3.768 . 0 0 "[ . 1 . 2 . ]" 1
278 2 18 ILE HA 2 21 LEU QD 4.170 . 4.170 3.463 2.460 4.170 . 0 0 "[ . 1 . 2 . ]" 1
279 2 18 ILE MD 2 19 ASP H 5.500 . 5.500 4.272 3.148 4.914 . 0 0 "[ . 1 . 2 . ]" 1
280 2 18 ILE MG 2 19 ASP H 4.290 . 4.290 3.904 2.303 4.290 . 0 0 "[ . 1 . 2 . ]" 1
281 2 19 ASP H 2 20 ASN H 4.230 . 4.230 2.615 2.257 2.853 . 0 0 "[ . 1 . 2 . ]" 1
282 2 21 LEU H 2 21 LEU QB 3.470 . 3.470 2.415 2.038 3.227 . 0 0 "[ . 1 . 2 . ]" 1
283 2 21 LEU H 2 21 LEU QD 4.460 . 4.460 3.558 2.254 3.858 . 0 0 "[ . 1 . 2 . ]" 1
284 2 21 LEU H 2 21 LEU HG 4.420 . 4.420 3.919 2.630 4.516 0.096 27 0 "[ . 1 . 2 . ]" 1
285 2 21 LEU HA 2 21 LEU QD 3.600 . 3.600 2.766 1.910 3.433 . 0 0 "[ . 1 . 2 . ]" 1
286 2 21 LEU HA 2 22 ASP H 3.270 . 3.270 2.185 2.080 2.357 . 0 0 "[ . 1 . 2 . ]" 1
287 2 21 LEU QD 2 61 VAL QG 3.650 . 3.650 3.504 3.130 4.008 0.358 11 0 "[ . 1 . 2 . ]" 1
288 2 22 ASP HA 2 23 VAL H 3.320 . 3.320 2.152 2.029 2.285 . 0 0 "[ . 1 . 2 . ]" 1
289 2 22 ASP HA 2 24 ASN H 4.540 . 4.540 3.765 3.532 3.977 . 0 0 "[ . 1 . 2 . ]" 1
290 2 23 VAL H 2 23 VAL HB 3.680 . 3.680 2.512 2.370 2.676 . 0 0 "[ . 1 . 2 . ]" 1
291 2 23 VAL H 2 23 VAL QG 3.200 . 3.200 2.022 1.926 2.152 . 0 0 "[ . 1 . 2 . ]" 1
292 2 23 VAL H 2 24 ASN H 3.730 . 3.730 2.820 2.701 2.993 . 0 0 "[ . 1 . 2 . ]" 1
293 2 23 VAL HA 2 26 CYS H 4.470 . 4.470 3.767 3.584 3.901 . 0 0 "[ . 1 . 2 . ]" 1
294 2 23 VAL HA 2 26 CYS HB2 4.810 . 4.810 3.745 3.387 4.031 . 0 0 "[ . 1 . 2 . ]" 1
295 2 23 VAL HA 2 26 CYS QB 3.940 . 3.940 3.187 2.900 3.452 . 0 0 "[ . 1 . 2 . ]" 1
296 2 23 VAL HA 2 26 CYS HB3 4.810 . 4.810 3.467 3.152 4.057 . 0 0 "[ . 1 . 2 . ]" 1
297 2 23 VAL HA 2 27 ILE MD 5.400 . 5.400 4.611 4.443 4.902 . 0 0 "[ . 1 . 2 . ]" 1
298 2 23 VAL HA 2 65 ILE MD 3.890 . 3.890 2.443 2.058 3.115 . 0 0 "[ . 1 . 2 . ]" 1
299 2 23 VAL HB 2 24 ASN H 3.950 . 3.950 2.622 2.491 2.856 . 0 0 "[ . 1 . 2 . ]" 1
300 2 23 VAL HB 2 25 ARG H 5.310 . 5.310 5.122 4.955 5.311 0.001 12 0 "[ . 1 . 2 . ]" 1
301 2 23 VAL HB 2 27 ILE MD 4.940 . 4.940 4.335 4.111 4.583 . 0 0 "[ . 1 . 2 . ]" 1
302 2 23 VAL HB 2 65 ILE MD 4.920 . 4.920 4.280 4.124 4.483 . 0 0 "[ . 1 . 2 . ]" 1
303 2 23 VAL QG 2 24 ASN H 4.170 . 4.170 3.235 3.142 3.410 . 0 0 "[ . 1 . 2 . ]" 1
304 2 23 VAL QG 2 24 ASN HA 4.660 . 4.660 3.318 3.131 3.548 . 0 0 "[ . 1 . 2 . ]" 1
305 2 23 VAL QG 2 27 ILE H 4.680 . 4.680 4.250 4.058 4.394 . 0 0 "[ . 1 . 2 . ]" 1
306 2 23 VAL QG 2 27 ILE MD 3.350 . 3.350 2.335 2.175 2.536 . 0 0 "[ . 1 . 2 . ]" 1
307 2 23 VAL QG 2 27 ILE QG 4.370 . 4.370 3.130 2.903 3.263 . 0 0 "[ . 1 . 2 . ]" 1
308 2 23 VAL QG 2 61 VAL QG 3.520 . 3.520 3.489 2.979 3.980 0.460 16 0 "[ . 1 . 2 . ]" 1
309 2 23 VAL QG 2 65 ILE MD 4.000 . 4.000 2.038 1.959 2.152 . 0 0 "[ . 1 . 2 . ]" 1
310 2 23 VAL QG 2 65 ILE QG 4.850 . 4.850 2.966 2.631 3.402 . 0 0 "[ . 1 . 2 . ]" 1
311 2 23 VAL MG1 2 24 ASN H 4.760 . 4.760 3.462 3.286 3.768 . 0 0 "[ . 1 . 2 . ]" 1
312 2 23 VAL MG1 2 65 ILE MD 4.590 . 4.590 2.068 1.995 2.166 . 0 0 "[ . 1 . 2 . ]" 1
313 2 23 VAL MG2 2 24 ASN H 4.760 . 4.760 3.893 3.796 3.999 . 0 0 "[ . 1 . 2 . ]" 1
314 2 23 VAL MG2 2 65 ILE MD 4.590 . 4.590 3.144 2.473 3.719 . 0 0 "[ . 1 . 2 . ]" 1
315 2 24 ASN H 2 24 ASN HB2 3.880 . 3.880 2.405 2.253 2.553 . 0 0 "[ . 1 . 2 . ]" 1
316 2 24 ASN H 2 24 ASN QB 3.350 . 3.350 2.316 2.204 2.436 . 0 0 "[ . 1 . 2 . ]" 1
317 2 24 ASN H 2 24 ASN HB3 3.880 . 3.880 3.253 2.542 3.638 . 0 0 "[ . 1 . 2 . ]" 1
318 2 24 ASN H 2 25 ARG H 3.660 . 3.660 2.686 2.547 2.806 . 0 0 "[ . 1 . 2 . ]" 1
319 2 24 ASN HA 2 27 ILE H 4.750 . 4.750 3.293 2.986 3.556 . 0 0 "[ . 1 . 2 . ]" 1
320 2 24 ASN HA 2 27 ILE HB 4.250 . 4.250 2.844 2.534 3.250 . 0 0 "[ . 1 . 2 . ]" 1
321 2 24 ASN HA 2 27 ILE MD 3.820 . 3.820 2.308 2.067 2.764 . 0 0 "[ . 1 . 2 . ]" 1
322 2 24 ASN HA 2 27 ILE MG 5.390 . 5.390 4.251 4.003 4.556 . 0 0 "[ . 1 . 2 . ]" 1
323 2 24 ASN QB 2 25 ARG H 3.670 . 3.670 2.632 2.353 2.954 . 0 0 "[ . 1 . 2 . ]" 1
324 2 24 ASN HB2 2 25 ARG H 4.210 . 4.210 3.154 2.564 3.893 . 0 0 "[ . 1 . 2 . ]" 1
325 2 24 ASN HB3 2 25 ARG H 4.210 . 4.210 3.228 2.377 3.731 . 0 0 "[ . 1 . 2 . ]" 1
326 2 25 ARG H 2 25 ARG QB 3.260 . 3.260 2.238 2.024 2.529 . 0 0 "[ . 1 . 2 . ]" 1
327 2 25 ARG H 2 26 CYS H 3.530 . 3.530 2.716 2.608 2.823 . 0 0 "[ . 1 . 2 . ]" 1
328 2 25 ARG HA 2 25 ARG QG 3.620 . 3.620 2.412 2.246 2.720 . 0 0 "[ . 1 . 2 . ]" 1
329 2 25 ARG QB 2 26 CYS H 3.740 . 3.740 2.673 2.460 2.920 . 0 0 "[ . 1 . 2 . ]" 1
330 2 26 CYS H 2 26 CYS HB2 3.750 . 3.750 2.431 2.242 2.567 . 0 0 "[ . 1 . 2 . ]" 1
331 2 26 CYS H 2 26 CYS QB 3.290 . 3.290 2.243 2.171 2.285 . 0 0 "[ . 1 . 2 . ]" 1
332 2 26 CYS H 2 26 CYS HB3 3.750 . 3.750 2.655 2.542 2.903 . 0 0 "[ . 1 . 2 . ]" 1
333 2 26 CYS H 2 27 ILE H 3.690 . 3.690 2.671 2.579 2.718 . 0 0 "[ . 1 . 2 . ]" 1
334 2 26 CYS H 2 27 ILE MD 5.370 . 5.370 5.102 4.921 5.248 . 0 0 "[ . 1 . 2 . ]" 1
335 2 26 CYS HA 2 29 ALA H 4.400 . 4.400 3.539 3.328 3.700 . 0 0 "[ . 1 . 2 . ]" 1
336 2 26 CYS HA 2 29 ALA MB 3.860 . 3.860 2.693 2.458 2.857 . 0 0 "[ . 1 . 2 . ]" 1
337 2 26 CYS QB 2 27 ILE H 3.800 . 3.800 2.558 2.420 2.673 . 0 0 "[ . 1 . 2 . ]" 1
338 2 26 CYS HB2 2 27 ILE H 4.410 . 4.410 3.809 3.633 3.982 . 0 0 "[ . 1 . 2 . ]" 1
339 2 26 CYS HB2 2 65 ILE MD 4.060 . 4.060 3.175 2.985 3.401 . 0 0 "[ . 1 . 2 . ]" 1
340 2 26 CYS HB3 2 27 ILE H 4.410 . 4.410 2.600 2.453 2.721 . 0 0 "[ . 1 . 2 . ]" 1
341 2 26 CYS HB3 2 65 ILE MD 4.060 . 4.060 2.288 2.063 2.425 . 0 0 "[ . 1 . 2 . ]" 1
342 2 27 ILE H 2 27 ILE HB 3.550 . 3.550 2.518 2.411 2.603 . 0 0 "[ . 1 . 2 . ]" 1
343 2 27 ILE H 2 27 ILE MD 4.220 . 4.220 3.455 3.319 3.542 . 0 0 "[ . 1 . 2 . ]" 1
344 2 27 ILE H 2 27 ILE HG12 4.300 . 4.300 3.585 3.409 3.708 . 0 0 "[ . 1 . 2 . ]" 1
345 2 27 ILE H 2 27 ILE QG 3.500 . 3.500 2.174 2.031 2.302 . 0 0 "[ . 1 . 2 . ]" 1
346 2 27 ILE H 2 27 ILE HG13 4.300 . 4.300 2.193 2.046 2.325 . 0 0 "[ . 1 . 2 . ]" 1
347 2 27 ILE H 2 27 ILE MG 3.960 . 3.960 3.819 3.780 3.857 . 0 0 "[ . 1 . 2 . ]" 1
348 2 27 ILE H 2 28 GLU H 3.580 . 3.580 2.680 2.591 2.757 . 0 0 "[ . 1 . 2 . ]" 1
349 2 27 ILE H 2 65 ILE MD 4.530 . 4.530 3.743 3.570 4.097 . 0 0 "[ . 1 . 2 . ]" 1
350 2 27 ILE HA 2 27 ILE MD 4.530 . 4.530 3.928 3.891 3.966 . 0 0 "[ . 1 . 2 . ]" 1
351 2 27 ILE HA 2 27 ILE QG 3.680 . 3.680 2.442 2.377 2.508 . 0 0 "[ . 1 . 2 . ]" 1
352 2 27 ILE HA 2 27 ILE MG 3.390 . 3.390 2.470 2.402 2.533 . 0 0 "[ . 1 . 2 . ]" 1
353 2 27 ILE HA 2 30 LEU H 4.110 . 4.110 3.553 3.395 3.782 . 0 0 "[ . 1 . 2 . ]" 1
354 2 27 ILE HA 2 30 LEU HB2 4.020 . 4.020 2.889 2.701 3.236 . 0 0 "[ . 1 . 2 . ]" 1
355 2 27 ILE HA 2 30 LEU QD 4.170 . 4.170 2.548 2.288 2.818 . 0 0 "[ . 1 . 2 . ]" 1
356 2 27 ILE HA 2 31 ASP H 4.970 . 4.970 4.245 4.072 4.480 . 0 0 "[ . 1 . 2 . ]" 1
357 2 27 ILE HA 2 65 ILE MD 5.090 . 5.090 4.700 4.375 5.014 . 0 0 "[ . 1 . 2 . ]" 1
358 2 27 ILE HB 2 27 ILE MD 3.440 . 3.440 2.368 2.324 2.420 . 0 0 "[ . 1 . 2 . ]" 1
359 2 27 ILE HB 2 28 GLU H 3.620 . 3.620 2.605 2.494 2.721 . 0 0 "[ . 1 . 2 . ]" 1
360 2 27 ILE MD 2 64 VAL HB 3.900 . 3.900 2.950 2.352 4.077 0.177 1 0 "[ . 1 . 2 . ]" 1
361 2 27 ILE MD 2 64 VAL QG 4.140 . 4.140 2.280 1.928 2.694 . 0 0 "[ . 1 . 2 . ]" 1
362 2 27 ILE MD 2 65 ILE H 5.500 . 5.500 4.145 3.704 4.600 . 0 0 "[ . 1 . 2 . ]" 1
363 2 27 ILE MD 2 65 ILE HA 5.500 . 5.500 4.535 4.198 4.872 . 0 0 "[ . 1 . 2 . ]" 1
364 2 27 ILE MD 2 65 ILE MD 4.210 . 4.210 3.426 3.160 3.862 . 0 0 "[ . 1 . 2 . ]" 1
365 2 27 ILE QG 2 64 VAL QG 3.640 . 3.640 2.491 2.159 2.890 . 0 0 "[ . 1 . 2 . ]" 1
366 2 27 ILE QG 2 65 ILE MD 4.380 . 4.380 2.875 2.639 3.372 . 0 0 "[ . 1 . 2 . ]" 1
367 2 27 ILE QG 2 65 ILE QG 4.670 . 4.670 2.202 2.081 2.383 . 0 0 "[ . 1 . 2 . ]" 1
368 2 27 ILE MG 2 28 GLU H 4.110 . 4.110 3.424 3.295 3.520 . 0 0 "[ . 1 . 2 . ]" 1
369 2 27 ILE MG 2 28 GLU HA 4.420 . 4.420 3.434 3.328 3.558 . 0 0 "[ . 1 . 2 . ]" 1
370 2 27 ILE MG 2 31 ASP H 4.630 . 4.630 4.095 3.876 4.470 . 0 0 "[ . 1 . 2 . ]" 1
371 2 27 ILE MG 2 31 ASP HA 5.500 . 5.500 5.245 4.894 5.548 0.048 24 0 "[ . 1 . 2 . ]" 1
372 2 27 ILE MG 2 68 LYS QE 3.610 . 3.610 2.507 1.961 3.677 0.067 21 0 "[ . 1 . 2 . ]" 1
373 2 28 GLU H 2 28 GLU HB2 3.740 . 3.740 2.396 2.159 2.543 . 0 0 "[ . 1 . 2 . ]" 1
374 2 28 GLU H 2 28 GLU QB 3.180 . 3.180 2.362 2.139 2.496 . 0 0 "[ . 1 . 2 . ]" 1
375 2 28 GLU H 2 28 GLU HB3 3.740 . 3.740 3.588 3.474 3.648 . 0 0 "[ . 1 . 2 . ]" 1
376 2 28 GLU H 2 28 GLU HG2 4.040 . 4.040 3.132 2.223 3.813 . 0 0 "[ . 1 . 2 . ]" 1
377 2 28 GLU H 2 28 GLU QG 3.430 . 3.430 2.351 2.189 3.045 . 0 0 "[ . 1 . 2 . ]" 1
378 2 28 GLU H 2 28 GLU HG3 4.040 . 4.040 2.851 2.251 3.690 . 0 0 "[ . 1 . 2 . ]" 1
379 2 28 GLU H 2 29 ALA H 3.480 . 3.480 2.737 2.642 2.791 . 0 0 "[ . 1 . 2 . ]" 1
380 2 28 GLU H 2 29 ALA MB 4.460 . 4.460 4.378 4.258 4.434 . 0 0 "[ . 1 . 2 . ]" 1
381 2 28 GLU H 2 31 ASP QB 5.110 . 5.110 4.849 4.596 5.056 . 0 0 "[ . 1 . 2 . ]" 1
382 2 28 GLU HA 2 28 GLU QG 3.730 . 3.730 2.555 2.104 3.060 . 0 0 "[ . 1 . 2 . ]" 1
383 2 28 GLU HA 2 31 ASP H 4.730 . 4.730 3.341 2.996 3.509 . 0 0 "[ . 1 . 2 . ]" 1
384 2 28 GLU HA 2 31 ASP QB 3.770 . 3.770 2.695 2.277 2.994 . 0 0 "[ . 1 . 2 . ]" 1
385 2 28 GLU QB 2 29 ALA H 3.490 . 3.490 2.513 2.375 2.741 . 0 0 "[ . 1 . 2 . ]" 1
386 2 28 GLU HB2 2 29 ALA H 4.000 . 4.000 2.579 2.424 2.835 . 0 0 "[ . 1 . 2 . ]" 1
387 2 28 GLU HB3 2 29 ALA H 4.000 . 4.000 3.501 3.094 3.681 . 0 0 "[ . 1 . 2 . ]" 1
388 2 29 ALA H 2 29 ALA MB 3.150 . 3.150 2.220 2.200 2.238 . 0 0 "[ . 1 . 2 . ]" 1
389 2 29 ALA H 2 30 LEU H 3.540 . 3.540 2.740 2.680 2.806 . 0 0 "[ . 1 . 2 . ]" 1
390 2 29 ALA HA 2 32 GLU H 4.110 . 4.110 3.541 3.225 3.742 . 0 0 "[ . 1 . 2 . ]" 1
391 2 29 ALA HA 2 32 GLU QB 4.230 . 4.230 2.996 2.491 4.232 0.002 20 0 "[ . 1 . 2 . ]" 1
392 2 29 ALA MB 2 30 LEU H 3.600 . 3.600 2.556 2.452 2.699 . 0 0 "[ . 1 . 2 . ]" 1
393 2 29 ALA MB 2 30 LEU MD1 4.850 . 4.850 4.378 4.185 4.511 . 0 0 "[ . 1 . 2 . ]" 1
394 2 29 ALA MB 2 30 LEU QD 4.060 . 4.060 3.749 3.594 3.931 . 0 0 "[ . 1 . 2 . ]" 1
395 2 29 ALA MB 2 30 LEU MD2 4.850 . 4.850 4.077 3.914 4.326 . 0 0 "[ . 1 . 2 . ]" 1
396 2 29 ALA MB 2 31 ASP H 5.040 . 5.040 4.497 4.388 4.616 . 0 0 "[ . 1 . 2 . ]" 1
397 2 29 ALA MB 2 32 GLU H 5.420 . 5.420 4.715 4.479 4.897 . 0 0 "[ . 1 . 2 . ]" 1
398 2 30 LEU H 2 30 LEU HB2 3.320 . 3.320 2.385 2.322 2.451 . 0 0 "[ . 1 . 2 . ]" 1
399 2 30 LEU H 2 30 LEU HB3 4.070 . 4.070 3.599 3.575 3.622 . 0 0 "[ . 1 . 2 . ]" 1
400 2 30 LEU H 2 30 LEU MD1 4.160 . 4.160 3.456 3.349 3.550 . 0 0 "[ . 1 . 2 . ]" 1
401 2 30 LEU H 2 30 LEU QD 3.560 . 3.560 3.193 3.126 3.265 . 0 0 "[ . 1 . 2 . ]" 1
402 2 30 LEU H 2 30 LEU MD2 4.160 . 4.160 3.756 3.641 3.863 . 0 0 "[ . 1 . 2 . ]" 1
403 2 30 LEU H 2 30 LEU HG 3.830 . 3.830 2.492 2.372 2.643 . 0 0 "[ . 1 . 2 . ]" 1
404 2 30 LEU H 2 31 ASP H 3.660 . 3.660 2.619 2.463 2.702 . 0 0 "[ . 1 . 2 . ]" 1
405 2 30 LEU H 2 68 LYS QB 5.160 . 5.160 5.030 4.817 5.218 0.058 13 0 "[ . 1 . 2 . ]" 1
406 2 30 LEU HA 2 30 LEU MD1 4.320 . 4.320 3.906 3.871 3.939 . 0 0 "[ . 1 . 2 . ]" 1
407 2 30 LEU HA 2 30 LEU QD 3.180 . 3.180 2.163 2.089 2.254 . 0 0 "[ . 1 . 2 . ]" 1
408 2 30 LEU HA 2 30 LEU MD2 4.320 . 4.320 2.174 2.097 2.268 . 0 0 "[ . 1 . 2 . ]" 1
409 2 30 LEU HA 2 33 LEU H 4.270 . 4.270 3.503 3.336 3.751 . 0 0 "[ . 1 . 2 . ]" 1
410 2 30 LEU HA 2 72 LEU QD 3.860 . 3.860 2.721 2.366 3.422 . 0 0 "[ . 1 . 2 . ]" 1
411 2 30 LEU HB2 2 31 ASP H 4.110 . 4.110 2.807 2.611 3.038 . 0 0 "[ . 1 . 2 . ]" 1
412 2 30 LEU HB2 2 65 ILE MG 5.500 . 5.500 5.108 4.492 5.390 . 0 0 "[ . 1 . 2 . ]" 1
413 2 30 LEU HB2 2 72 LEU QD 3.920 . 3.920 3.856 3.517 4.125 0.205 26 0 "[ . 1 . 2 . ]" 1
414 2 30 LEU HB3 2 31 ASP H 4.520 . 4.520 3.711 3.583 3.918 . 0 0 "[ . 1 . 2 . ]" 1
415 2 30 LEU HB3 2 72 LEU QD 4.500 . 4.500 2.509 2.241 2.768 . 0 0 "[ . 1 . 2 . ]" 1
416 2 30 LEU QD 2 31 ASP H 5.290 . 5.290 4.205 4.089 4.329 . 0 0 "[ . 1 . 2 . ]" 1
417 2 30 LEU QD 2 34 ALA MB 5.440 . 5.440 4.790 4.542 4.977 . 0 0 "[ . 1 . 2 . ]" 1
418 2 30 LEU QD 2 53 LEU QD 2.830 . 2.830 2.239 2.033 2.879 0.049 27 0 "[ . 1 . 2 . ]" 1
419 2 30 LEU QD 2 53 LEU HG 5.440 . 5.440 4.269 3.287 4.607 . 0 0 "[ . 1 . 2 . ]" 1
420 2 30 LEU QD 2 56 ILE HB 5.440 . 5.440 4.006 3.533 4.450 . 0 0 "[ . 1 . 2 . ]" 1
421 2 30 LEU QD 2 56 ILE MD 3.560 . 3.560 2.339 1.982 3.047 . 0 0 "[ . 1 . 2 . ]" 1
422 2 30 LEU QD 2 65 ILE HA 4.210 . 4.210 2.800 2.481 3.044 . 0 0 "[ . 1 . 2 . ]" 1
423 2 30 LEU QD 2 65 ILE MG 3.180 . 3.180 2.278 2.046 2.463 . 0 0 "[ . 1 . 2 . ]" 1
424 2 30 LEU QD 2 68 LYS QB 3.570 . 3.570 2.065 1.985 2.174 . 0 0 "[ . 1 . 2 . ]" 1
425 2 30 LEU QD 2 68 LYS QG 5.130 . 5.130 3.424 3.162 3.900 . 0 0 "[ . 1 . 2 . ]" 1
426 2 30 LEU QD 2 69 SER H 4.590 . 4.590 2.738 2.596 2.963 . 0 0 "[ . 1 . 2 . ]" 1
427 2 30 LEU QD 2 69 SER HA 3.860 . 3.860 2.360 2.166 2.571 . 0 0 "[ . 1 . 2 . ]" 1
428 2 30 LEU QD 2 69 SER QB 4.780 . 4.780 2.579 2.129 3.427 . 0 0 "[ . 1 . 2 . ]" 1
429 2 30 LEU QD 2 72 LEU QB 4.710 . 4.710 3.246 2.738 3.536 . 0 0 "[ . 1 . 2 . ]" 1
430 2 30 LEU QD 2 72 LEU QD 3.160 . 3.160 2.084 1.930 2.623 . 0 0 "[ . 1 . 2 . ]" 1
431 2 30 LEU QD 2 72 LEU HG 5.370 . 5.370 4.022 2.505 4.688 . 0 0 "[ . 1 . 2 . ]" 1
432 2 30 LEU QD 2 73 TYR H 5.110 . 5.110 5.166 4.917 5.415 0.305 29 0 "[ . 1 . 2 . ]" 1
433 2 30 LEU MD1 2 68 LYS QB 4.360 . 4.360 2.087 2.004 2.195 . 0 0 "[ . 1 . 2 . ]" 1
434 2 30 LEU MD2 2 68 LYS QB 4.360 . 4.360 3.310 2.887 3.636 . 0 0 "[ . 1 . 2 . ]" 1
435 2 30 LEU HG 2 65 ILE MG 5.500 . 5.500 4.341 3.954 4.630 . 0 0 "[ . 1 . 2 . ]" 1
436 2 31 ASP H 2 31 ASP HB2 4.180 . 4.180 2.292 2.120 2.476 . 0 0 "[ . 1 . 2 . ]" 1
437 2 31 ASP H 2 31 ASP QB 3.500 . 3.500 2.214 2.097 2.322 . 0 0 "[ . 1 . 2 . ]" 1
438 2 31 ASP H 2 31 ASP HB3 4.180 . 4.180 3.069 2.616 3.606 . 0 0 "[ . 1 . 2 . ]" 1
439 2 31 ASP H 2 32 GLU H 3.430 . 3.430 2.624 2.516 2.765 . 0 0 "[ . 1 . 2 . ]" 1
440 2 31 ASP H 2 34 ALA MB 5.500 . 5.500 4.663 4.464 4.826 . 0 0 "[ . 1 . 2 . ]" 1
441 2 31 ASP HA 2 34 ALA H 4.830 . 4.830 3.103 2.692 3.364 . 0 0 "[ . 1 . 2 . ]" 1
442 2 31 ASP HA 2 34 ALA MB 3.400 . 3.400 2.421 2.114 2.671 . 0 0 "[ . 1 . 2 . ]" 1
443 2 31 ASP QB 2 32 GLU H 3.790 . 3.790 2.709 2.451 3.003 . 0 0 "[ . 1 . 2 . ]" 1
444 2 31 ASP HB2 2 32 GLU H 4.430 . 4.430 3.465 2.851 3.813 . 0 0 "[ . 1 . 2 . ]" 1
445 2 31 ASP HB3 2 32 GLU H 4.430 . 4.430 2.996 2.486 3.764 . 0 0 "[ . 1 . 2 . ]" 1
446 2 32 GLU H 2 32 GLU QB 3.280 . 3.280 2.298 2.030 2.595 . 0 0 "[ . 1 . 2 . ]" 1
447 2 32 GLU H 2 32 GLU HG2 4.290 . 4.290 3.149 2.248 3.936 . 0 0 "[ . 1 . 2 . ]" 1
448 2 32 GLU H 2 32 GLU QG 3.640 . 3.640 2.714 2.220 3.461 . 0 0 "[ . 1 . 2 . ]" 1
449 2 32 GLU H 2 32 GLU HG3 4.290 . 4.290 3.292 2.550 4.256 . 0 0 "[ . 1 . 2 . ]" 1
450 2 32 GLU H 2 33 LEU H 3.450 . 3.450 2.663 2.468 2.787 . 0 0 "[ . 1 . 2 . ]" 1
451 2 32 GLU H 2 33 LEU QB 4.970 . 4.970 4.349 4.169 4.586 . 0 0 "[ . 1 . 2 . ]" 1
452 2 32 GLU H 2 34 ALA MB 5.500 . 5.500 4.780 4.653 4.887 . 0 0 "[ . 1 . 2 . ]" 1
453 2 32 GLU HA 2 32 GLU QG 3.400 . 3.400 2.568 2.231 3.413 0.013 20 0 "[ . 1 . 2 . ]" 1
454 2 32 GLU QB 2 33 LEU H 3.770 . 3.770 2.762 2.372 3.689 . 0 0 "[ . 1 . 2 . ]" 1
455 2 32 GLU QG 2 33 LEU H 4.700 . 4.700 3.981 2.299 4.448 . 0 0 "[ . 1 . 2 . ]" 1
456 2 33 LEU H 2 33 LEU HB2 3.680 . 3.680 2.129 2.012 2.370 . 0 0 "[ . 1 . 2 . ]" 1
457 2 33 LEU H 2 33 LEU HB3 3.680 . 3.680 2.974 2.568 3.306 . 0 0 "[ . 1 . 2 . ]" 1
458 2 33 LEU H 2 33 LEU QD 4.660 . 4.660 3.715 3.616 3.787 . 0 0 "[ . 1 . 2 . ]" 1
459 2 33 LEU H 2 33 LEU HG 4.660 . 4.660 4.068 3.624 4.529 . 0 0 "[ . 1 . 2 . ]" 1
460 2 33 LEU H 2 34 ALA H 3.690 . 3.690 2.583 2.436 2.698 . 0 0 "[ . 1 . 2 . ]" 1
461 2 33 LEU HA 2 33 LEU QD 3.340 . 3.340 2.484 2.136 2.982 . 0 0 "[ . 1 . 2 . ]" 1
462 2 33 LEU HA 2 36 LEU H 4.510 . 4.510 3.451 3.133 3.725 . 0 0 "[ . 1 . 2 . ]" 1
463 2 33 LEU HA 2 36 LEU QB 4.570 . 4.570 3.033 2.519 3.430 . 0 0 "[ . 1 . 2 . ]" 1
464 2 33 LEU HA 2 36 LEU MD1 4.220 . 4.220 2.430 2.207 2.852 . 0 0 "[ . 1 . 2 . ]" 1
465 2 33 LEU QB 2 34 ALA H 3.560 . 3.560 2.768 2.578 3.014 . 0 0 "[ . 1 . 2 . ]" 1
466 2 33 LEU QB 2 72 LEU QD 3.600 . 3.600 2.116 1.973 2.407 . 0 0 "[ . 1 . 2 . ]" 1
467 2 33 LEU HB2 2 34 ALA H 4.230 . 4.230 3.539 3.349 3.892 . 0 0 "[ . 1 . 2 . ]" 1
468 2 33 LEU HB3 2 34 ALA H 4.230 . 4.230 2.904 2.636 3.310 . 0 0 "[ . 1 . 2 . ]" 1
469 2 33 LEU QD 2 34 ALA HA 5.300 . 5.300 3.954 3.457 4.556 . 0 0 "[ . 1 . 2 . ]" 1
470 2 33 LEU QD 2 36 LEU MD1 4.360 . 4.360 3.053 2.232 3.845 . 0 0 "[ . 1 . 2 . ]" 1
471 2 33 LEU QD 2 36 LEU HG 5.230 . 5.230 4.602 3.839 5.238 0.008 4 0 "[ . 1 . 2 . ]" 1
472 2 33 LEU QD 2 49 MET ME 3.670 . 3.670 2.258 2.029 3.014 . 0 0 "[ . 1 . 2 . ]" 1
473 2 33 LEU QD 2 49 MET QG 5.420 . 5.420 2.990 2.262 3.760 . 0 0 "[ . 1 . 2 . ]" 1
474 2 33 LEU QD 2 72 LEU QD 3.300 . 3.300 2.106 1.846 2.449 . 0 0 "[ . 1 . 2 . ]" 1
475 2 33 LEU MD1 2 49 MET ME 4.260 . 4.260 2.805 2.381 3.915 . 0 0 "[ . 1 . 2 . ]" 1
476 2 33 LEU MD2 2 49 MET ME 4.260 . 4.260 2.409 2.132 3.175 . 0 0 "[ . 1 . 2 . ]" 1
477 2 34 ALA H 2 34 ALA MB 3.000 . 3.000 2.241 2.226 2.276 . 0 0 "[ . 1 . 2 . ]" 1
478 2 34 ALA H 2 35 SER H 3.480 . 3.480 2.555 2.389 2.654 . 0 0 "[ . 1 . 2 . ]" 1
479 2 34 ALA H 2 72 LEU MD1 4.330 . 4.330 3.382 3.004 3.933 . 0 0 "[ . 1 . 2 . ]" 1
480 2 34 ALA H 2 72 LEU QD 3.670 . 3.670 2.921 2.778 3.027 . 0 0 "[ . 1 . 2 . ]" 1
481 2 34 ALA H 2 72 LEU MD2 4.330 . 4.330 3.268 2.874 3.939 . 0 0 "[ . 1 . 2 . ]" 1
482 2 34 ALA HA 2 36 LEU H 4.740 . 4.740 4.090 3.510 4.482 . 0 0 "[ . 1 . 2 . ]" 1
483 2 34 ALA HA 2 71 MET ME 5.480 . 5.480 4.218 3.112 4.988 . 0 0 "[ . 1 . 2 . ]" 1
484 2 34 ALA HA 2 72 LEU QD 3.310 . 3.310 2.531 2.021 3.371 0.061 29 0 "[ . 1 . 2 . ]" 1
485 2 34 ALA MB 2 35 SER H 3.560 . 3.560 2.785 2.669 2.969 . 0 0 "[ . 1 . 2 . ]" 1
486 2 34 ALA MB 2 71 MET ME 3.690 . 3.690 2.548 2.076 3.603 . 0 0 "[ . 1 . 2 . ]" 1
487 2 34 ALA MB 2 72 LEU MD1 3.720 . 3.720 2.683 2.012 3.526 . 0 0 "[ . 1 . 2 . ]" 1
488 2 34 ALA MB 2 72 LEU QD 3.050 . 3.050 2.220 2.002 2.621 . 0 0 "[ . 1 . 2 . ]" 1
489 2 34 ALA MB 2 72 LEU MD2 3.720 . 3.720 2.739 2.090 3.882 0.162 11 0 "[ . 1 . 2 . ]" 1
490 2 35 SER H 2 35 SER HB2 4.080 . 4.080 2.607 2.403 3.632 . 0 0 "[ . 1 . 2 . ]" 1
491 2 35 SER H 2 35 SER QB 3.480 . 3.480 2.364 2.198 2.628 . 0 0 "[ . 1 . 2 . ]" 1
492 2 35 SER H 2 35 SER HB3 4.080 . 4.080 3.102 2.413 3.613 . 0 0 "[ . 1 . 2 . ]" 1
493 2 35 SER H 2 36 LEU H 3.360 . 3.360 2.495 2.374 2.620 . 0 0 "[ . 1 . 2 . ]" 1
494 2 35 SER H 2 36 LEU HG 4.950 . 4.950 4.281 3.750 4.706 . 0 0 "[ . 1 . 2 . ]" 1
495 2 35 SER QB 2 36 LEU H 4.460 . 4.460 3.065 2.661 3.725 . 0 0 "[ . 1 . 2 . ]" 1
496 2 35 SER HB2 2 36 LEU H 5.080 . 5.080 3.579 2.938 4.236 . 0 0 "[ . 1 . 2 . ]" 1
497 2 35 SER HB3 2 36 LEU H 5.080 . 5.080 3.704 2.705 4.254 . 0 0 "[ . 1 . 2 . ]" 1
498 2 36 LEU H 2 36 LEU HB2 4.040 . 4.040 2.383 2.216 2.521 . 0 0 "[ . 1 . 2 . ]" 1
499 2 36 LEU H 2 36 LEU QB 3.340 . 3.340 2.351 2.194 2.479 . 0 0 "[ . 1 . 2 . ]" 1
500 2 36 LEU H 2 36 LEU HB3 4.040 . 4.040 3.604 3.532 3.661 . 0 0 "[ . 1 . 2 . ]" 1
501 2 36 LEU H 2 36 LEU MD1 4.470 . 4.470 3.667 3.498 3.826 . 0 0 "[ . 1 . 2 . ]" 1
502 2 36 LEU H 2 36 LEU MD2 4.160 . 4.160 3.709 3.379 3.964 . 0 0 "[ . 1 . 2 . ]" 1
503 2 36 LEU H 2 36 LEU HG 3.620 . 3.620 2.638 2.305 2.951 . 0 0 "[ . 1 . 2 . ]" 1
504 2 36 LEU H 2 38 VAL QG 5.180 . 5.180 4.289 3.816 4.872 . 0 0 "[ . 1 . 2 . ]" 1
505 2 36 LEU HA 2 36 LEU MD2 3.370 . 3.370 2.125 2.056 2.221 . 0 0 "[ . 1 . 2 . ]" 1
506 2 36 LEU QB 2 38 VAL QG 3.790 . 3.790 2.429 2.057 3.505 . 0 0 "[ . 1 . 2 . ]" 1
507 2 37 GLN HA 2 38 VAL H 3.280 . 3.280 2.429 2.148 2.632 . 0 0 "[ . 1 . 2 . ]" 1
508 2 37 GLN QB 2 38 VAL H 4.510 . 4.510 3.822 3.075 4.079 . 0 0 "[ . 1 . 2 . ]" 1
509 2 38 VAL H 2 38 VAL HB 4.080 . 4.080 2.828 2.495 3.908 . 0 0 "[ . 1 . 2 . ]" 1
510 2 38 VAL H 2 38 VAL QG 3.450 . 3.450 2.165 1.859 2.879 . 0 0 "[ . 1 . 2 . ]" 1
511 2 38 VAL HA 2 38 VAL MG1 3.730 . 3.730 2.505 2.302 3.258 . 0 0 "[ . 1 . 2 . ]" 1
512 2 38 VAL HA 2 38 VAL MG2 3.730 . 3.730 2.595 2.324 3.267 . 0 0 "[ . 1 . 2 . ]" 1
513 2 38 VAL HA 2 39 THR H 3.290 . 3.290 2.220 2.122 2.409 . 0 0 "[ . 1 . 2 . ]" 1
514 2 38 VAL HB 2 39 THR H 4.570 . 4.570 3.934 2.447 4.415 . 0 0 "[ . 1 . 2 . ]" 1
515 2 38 VAL QG 2 39 THR H 3.680 . 3.680 2.917 2.354 3.386 . 0 0 "[ . 1 . 2 . ]" 1
516 2 38 VAL QG 2 42 GLN QB 3.700 . 3.700 2.368 2.040 3.201 . 0 0 "[ . 1 . 2 . ]" 1
517 2 38 VAL QG 2 43 ALA H 4.020 . 4.020 3.124 2.602 4.053 0.033 4 0 "[ . 1 . 2 . ]" 1
518 2 38 VAL QG 2 43 ALA HA 4.650 . 4.650 3.436 2.520 4.397 . 0 0 "[ . 1 . 2 . ]" 1
519 2 38 VAL QG 2 43 ALA MB 3.560 . 3.560 2.773 2.217 3.473 . 0 0 "[ . 1 . 2 . ]" 1
520 2 38 VAL QG 2 49 MET ME 4.440 . 4.440 3.024 2.126 4.030 . 0 0 "[ . 1 . 2 . ]" 1
521 2 38 VAL QG 2 76 PHE QD 4.070 . 4.070 3.617 2.516 4.504 0.434 14 0 "[ . 1 . 2 . ]" 1
522 2 38 VAL MG1 2 39 THR H 4.420 . 4.420 3.250 2.683 4.089 . 0 0 "[ . 1 . 2 . ]" 1
523 2 38 VAL MG1 2 42 GLN QG 5.500 . 5.500 3.884 2.388 5.816 0.316 15 0 "[ . 1 . 2 . ]" 1
524 2 38 VAL MG2 2 39 THR H 4.420 . 4.420 3.840 2.378 4.262 . 0 0 "[ . 1 . 2 . ]" 1
525 2 38 VAL MG2 2 42 GLN QG 5.500 . 5.500 4.538 2.989 5.427 . 0 0 "[ . 1 . 2 . ]" 1
526 2 39 THR H 2 39 THR MG 3.500 . 3.500 2.283 2.156 2.662 . 0 0 "[ . 1 . 2 . ]" 1
527 2 39 THR H 2 42 GLN QB 3.870 . 3.870 2.734 2.159 3.120 . 0 0 "[ . 1 . 2 . ]" 1
528 2 39 THR HA 2 39 THR MG 3.270 . 3.270 2.407 2.293 2.480 . 0 0 "[ . 1 . 2 . ]" 1
529 2 39 THR HB 2 41 GLN H 3.630 . 3.630 2.774 2.403 3.025 . 0 0 "[ . 1 . 2 . ]" 1
530 2 39 THR HB 2 42 GLN H 3.840 . 3.840 3.732 3.233 3.862 0.022 8 0 "[ . 1 . 2 . ]" 1
531 2 39 THR HB 2 43 ALA H 5.500 . 5.500 5.397 5.000 5.528 0.028 29 0 "[ . 1 . 2 . ]" 1
532 2 39 THR MG 2 42 GLN H 4.920 . 4.920 4.252 4.056 4.493 . 0 0 "[ . 1 . 2 . ]" 1
533 2 39 THR MG 2 42 GLN QG 4.770 . 4.770 3.581 3.183 4.809 0.039 5 0 "[ . 1 . 2 . ]" 1
534 2 40 MET HA 2 43 ALA H 4.520 . 4.520 3.266 3.042 3.750 . 0 0 "[ . 1 . 2 . ]" 1
535 2 40 MET HA 2 43 ALA MB 3.830 . 3.830 2.498 2.202 3.022 . 0 0 "[ . 1 . 2 . ]" 1
536 2 40 MET HA 2 79 MET ME 5.110 . 5.110 3.638 2.109 5.112 0.002 23 0 "[ . 1 . 2 . ]" 1
537 2 40 MET QB 2 41 GLN H 4.000 . 4.000 3.309 2.535 3.690 . 0 0 "[ . 1 . 2 . ]" 1
538 2 41 GLN H 2 42 GLN H 4.400 . 4.400 2.623 2.510 2.747 . 0 0 "[ . 1 . 2 . ]" 1
539 2 41 GLN HA 2 41 GLN QG 3.650 . 3.650 2.479 2.246 3.429 . 0 0 "[ . 1 . 2 . ]" 1
540 2 41 GLN HA 2 43 ALA MB 5.260 . 5.260 4.797 4.611 5.061 . 0 0 "[ . 1 . 2 . ]" 1
541 2 41 GLN HA 2 44 GLN H 4.220 . 4.220 3.283 2.975 3.611 . 0 0 "[ . 1 . 2 . ]" 1
542 2 41 GLN HA 2 44 GLN QB 3.660 . 3.660 2.605 2.271 3.028 . 0 0 "[ . 1 . 2 . ]" 1
543 2 41 GLN QB 2 42 GLN H 4.130 . 4.130 2.798 2.494 3.685 . 0 0 "[ . 1 . 2 . ]" 1
544 2 41 GLN QG 2 44 GLN H 4.920 . 4.920 4.801 4.518 5.049 0.129 21 0 "[ . 1 . 2 . ]" 1
545 2 42 GLN H 2 42 GLN HB2 4.150 . 4.150 2.385 2.218 2.904 . 0 0 "[ . 1 . 2 . ]" 1
546 2 42 GLN H 2 42 GLN QB 3.460 . 3.460 2.323 1.979 2.505 . 0 0 "[ . 1 . 2 . ]" 1
547 2 42 GLN H 2 42 GLN HB3 4.150 . 4.150 3.546 2.014 3.659 . 0 0 "[ . 1 . 2 . ]" 1
548 2 42 GLN H 2 42 GLN QG 3.570 . 3.570 2.606 2.275 3.664 0.094 5 0 "[ . 1 . 2 . ]" 1
549 2 42 GLN H 2 43 ALA H 3.550 . 3.550 2.519 2.386 2.665 . 0 0 "[ . 1 . 2 . ]" 1
550 2 42 GLN H 2 44 GLN QB 5.040 . 5.040 4.832 4.615 5.048 0.008 17 0 "[ . 1 . 2 . ]" 1
551 2 42 GLN HA 2 42 GLN QG 3.430 . 3.430 2.734 2.368 3.299 . 0 0 "[ . 1 . 2 . ]" 1
552 2 42 GLN QB 2 43 ALA H 3.660 . 3.660 2.656 2.501 2.784 . 0 0 "[ . 1 . 2 . ]" 1
553 2 43 ALA H 2 43 ALA MB 3.160 . 3.160 2.241 2.183 2.273 . 0 0 "[ . 1 . 2 . ]" 1
554 2 43 ALA H 2 44 GLN H 3.670 . 3.670 2.682 2.556 2.753 . 0 0 "[ . 1 . 2 . ]" 1
555 2 43 ALA HA 2 46 HIS H 4.660 . 4.660 3.456 3.273 3.953 . 0 0 "[ . 1 . 2 . ]" 1
556 2 43 ALA HA 2 49 MET ME 4.650 . 4.650 3.481 2.403 4.172 . 0 0 "[ . 1 . 2 . ]" 1
557 2 43 ALA HA 2 50 ILE MD 4.930 . 4.930 3.642 2.871 4.499 . 0 0 "[ . 1 . 2 . ]" 1
558 2 43 ALA MB 2 44 GLN H 3.780 . 3.780 2.624 2.491 2.839 . 0 0 "[ . 1 . 2 . ]" 1
559 2 43 ALA MB 2 44 GLN HA 4.810 . 4.810 3.930 3.855 4.014 . 0 0 "[ . 1 . 2 . ]" 1
560 2 43 ALA MB 2 49 MET ME 4.260 . 4.260 3.943 2.869 4.400 0.140 2 0 "[ . 1 . 2 . ]" 1
561 2 43 ALA MB 2 76 PHE QD 4.130 . 4.130 2.689 1.969 4.155 0.025 2 0 "[ . 1 . 2 . ]" 1
562 2 43 ALA MB 2 79 MET ME 4.280 . 4.280 3.322 2.188 4.517 0.237 10 0 "[ . 1 . 2 . ]" 1
563 2 44 GLN H 2 44 GLN QB 3.280 . 3.280 2.228 2.086 2.400 . 0 0 "[ . 1 . 2 . ]" 1
564 2 44 GLN H 2 44 GLN QG 4.390 . 4.390 3.589 2.291 4.064 . 0 0 "[ . 1 . 2 . ]" 1
565 2 44 GLN H 2 45 LYS H 3.860 . 3.860 2.708 2.548 2.793 . 0 0 "[ . 1 . 2 . ]" 1
566 2 44 GLN QB 2 45 LYS H 4.380 . 4.380 2.613 2.433 3.028 . 0 0 "[ . 1 . 2 . ]" 1
567 2 45 LYS H 2 45 LYS QB 3.600 . 3.600 2.301 2.031 2.461 . 0 0 "[ . 1 . 2 . ]" 1
568 2 45 LYS H 2 45 LYS QG 4.320 . 4.320 2.874 2.128 4.025 . 0 0 "[ . 1 . 2 . ]" 1
569 2 45 LYS H 2 46 HIS H 3.700 . 3.700 2.547 2.207 2.784 . 0 0 "[ . 1 . 2 . ]" 1
570 2 45 LYS QB 2 46 HIS H 4.090 . 4.090 2.838 2.593 3.294 . 0 0 "[ . 1 . 2 . ]" 1
571 2 46 HIS H 2 46 HIS HB2 4.130 . 4.130 2.536 2.422 2.682 . 0 0 "[ . 1 . 2 . ]" 1
572 2 46 HIS H 2 46 HIS QB 3.410 . 3.410 2.495 2.390 2.630 . 0 0 "[ . 1 . 2 . ]" 1
573 2 46 HIS H 2 46 HIS HB3 4.130 . 4.130 3.709 3.644 3.799 . 0 0 "[ . 1 . 2 . ]" 1
574 2 46 HIS H 2 46 HIS HD2 4.130 . 4.130 3.379 2.863 4.136 0.006 14 0 "[ . 1 . 2 . ]" 1
575 2 46 HIS H 2 47 THR H 4.300 . 4.300 3.149 2.826 3.678 . 0 0 "[ . 1 . 2 . ]" 1
576 2 46 HIS HA 2 47 THR H 3.450 . 3.450 2.730 2.421 2.906 . 0 0 "[ . 1 . 2 . ]" 1
577 2 46 HIS QB 2 49 MET ME 3.630 . 3.630 2.638 2.006 3.196 . 0 0 "[ . 1 . 2 . ]" 1
578 2 46 HIS HB2 2 49 MET ME 4.150 . 4.150 2.871 2.068 3.466 . 0 0 "[ . 1 . 2 . ]" 1
579 2 46 HIS HB3 2 49 MET ME 4.150 . 4.150 3.137 2.649 4.067 . 0 0 "[ . 1 . 2 . ]" 1
580 2 47 THR H 2 47 THR HB 3.740 . 3.740 2.680 2.509 3.074 . 0 0 "[ . 1 . 2 . ]" 1
581 2 47 THR H 2 47 THR MG 3.920 . 3.920 3.745 3.446 3.818 . 0 0 "[ . 1 . 2 . ]" 1
582 2 47 THR H 2 48 GLU QB 4.000 . 4.000 4.112 4.035 4.191 0.191 8 0 "[ . 1 . 2 . ]" 1
583 2 47 THR HA 2 47 THR MG 3.510 . 3.510 2.297 2.136 2.418 . 0 0 "[ . 1 . 2 . ]" 1
584 2 47 THR HA 2 49 MET ME 5.500 . 5.500 5.181 4.399 5.498 . 0 0 "[ . 1 . 2 . ]" 1
585 2 47 THR HA 2 50 ILE H 4.060 . 4.060 3.106 2.891 3.308 . 0 0 "[ . 1 . 2 . ]" 1
586 2 47 THR HA 2 50 ILE HB 4.010 . 4.010 3.096 2.553 3.775 . 0 0 "[ . 1 . 2 . ]" 1
587 2 47 THR HA 2 50 ILE MD 4.160 . 4.160 3.791 3.566 4.033 . 0 0 "[ . 1 . 2 . ]" 1
588 2 47 THR HA 2 50 ILE QG 4.570 . 4.570 2.128 1.998 2.324 . 0 0 "[ . 1 . 2 . ]" 1
589 2 47 THR HA 2 50 ILE MG 4.790 . 4.790 4.261 3.897 4.687 . 0 0 "[ . 1 . 2 . ]" 1
590 2 47 THR HA 2 51 THR H 5.500 . 5.500 4.451 3.981 4.943 . 0 0 "[ . 1 . 2 . ]" 1
591 2 47 THR MG 2 48 GLU QB 4.860 . 4.860 4.914 4.659 5.245 0.385 6 0 "[ . 1 . 2 . ]" 1
592 2 47 THR MG 2 50 ILE MD 4.330 . 4.330 4.480 3.782 4.799 0.469 26 0 "[ . 1 . 2 . ]" 1
593 2 47 THR MG 2 50 ILE MG 4.450 . 4.450 3.647 3.315 4.024 . 0 0 "[ . 1 . 2 . ]" 1
594 2 47 THR MG 2 51 THR H 4.510 . 4.510 4.025 3.599 4.519 0.009 25 0 "[ . 1 . 2 . ]" 1
595 2 48 GLU QB 2 49 MET H 3.870 . 3.870 2.661 2.296 3.504 . 0 0 "[ . 1 . 2 . ]" 1
596 2 49 MET H 2 49 MET HB2 3.850 . 3.850 2.644 2.389 3.646 . 0 0 "[ . 1 . 2 . ]" 1
597 2 49 MET H 2 49 MET QB 3.350 . 3.350 2.225 2.094 2.426 . 0 0 "[ . 1 . 2 . ]" 1
598 2 49 MET H 2 49 MET HB3 3.850 . 3.850 2.456 2.117 2.577 . 0 0 "[ . 1 . 2 . ]" 1
599 2 49 MET H 2 49 MET ME 4.700 . 4.700 4.261 3.597 4.753 0.053 27 0 "[ . 1 . 2 . ]" 1
600 2 49 MET H 2 49 MET QG 4.390 . 4.390 3.844 2.551 4.065 . 0 0 "[ . 1 . 2 . ]" 1
601 2 49 MET H 2 50 ILE H 3.660 . 3.660 2.535 2.429 2.644 . 0 0 "[ . 1 . 2 . ]" 1
602 2 49 MET H 2 50 ILE MD 4.820 . 4.820 4.565 4.219 4.839 0.019 27 0 "[ . 1 . 2 . ]" 1
603 2 49 MET HA 2 52 THR H 4.440 . 4.440 3.146 2.830 3.360 . 0 0 "[ . 1 . 2 . ]" 1
604 2 49 MET HA 2 52 THR HB 4.290 . 4.290 2.665 2.376 3.145 . 0 0 "[ . 1 . 2 . ]" 1
605 2 49 MET QB 2 49 MET ME 4.040 . 4.040 2.276 2.078 3.571 . 0 0 "[ . 1 . 2 . ]" 1
606 2 49 MET QB 2 50 ILE H 4.100 . 4.100 2.828 2.492 3.642 . 0 0 "[ . 1 . 2 . ]" 1
607 2 49 MET ME 2 49 MET QG 3.190 . 3.190 2.385 2.193 2.488 . 0 0 "[ . 1 . 2 . ]" 1
608 2 49 MET ME 2 50 ILE H 4.600 . 4.600 4.171 3.845 4.630 0.030 12 0 "[ . 1 . 2 . ]" 1
609 2 49 MET ME 2 50 ILE MD 3.850 . 3.850 2.680 2.227 3.860 0.010 12 0 "[ . 1 . 2 . ]" 1
610 2 49 MET ME 2 53 LEU QD 5.130 . 5.130 3.222 2.577 4.417 . 0 0 "[ . 1 . 2 . ]" 1
611 2 49 MET ME 2 76 PHE QD 4.480 . 4.480 3.764 2.916 4.545 0.065 27 0 "[ . 1 . 2 . ]" 1
612 2 49 MET QG 2 50 ILE H 4.790 . 4.790 3.818 2.474 4.420 . 0 0 "[ . 1 . 2 . ]" 1
613 2 49 MET QG 2 52 THR H 4.950 . 4.950 4.713 4.468 4.958 0.008 12 0 "[ . 1 . 2 . ]" 1
614 2 50 ILE H 2 50 ILE HB 3.430 . 3.430 2.657 2.515 2.744 . 0 0 "[ . 1 . 2 . ]" 1
615 2 50 ILE H 2 50 ILE MD 4.240 . 4.240 2.956 2.698 3.221 . 0 0 "[ . 1 . 2 . ]" 1
616 2 50 ILE H 2 50 ILE HG12 4.210 . 4.210 2.033 1.946 2.157 . 0 0 "[ . 1 . 2 . ]" 1
617 2 50 ILE H 2 50 ILE QG 3.410 . 3.410 2.021 1.937 2.143 . 0 0 "[ . 1 . 2 . ]" 1
618 2 50 ILE H 2 50 ILE HG13 4.210 . 4.210 3.577 3.507 3.685 . 0 0 "[ . 1 . 2 . ]" 1
619 2 50 ILE H 2 50 ILE MG 4.060 . 4.060 3.819 3.783 3.840 . 0 0 "[ . 1 . 2 . ]" 1
620 2 50 ILE H 2 51 THR H 3.630 . 3.630 2.532 2.446 2.637 . 0 0 "[ . 1 . 2 . ]" 1
621 2 50 ILE HA 2 50 ILE MD 3.900 . 3.900 2.260 2.108 2.366 . 0 0 "[ . 1 . 2 . ]" 1
622 2 50 ILE HA 2 50 ILE MG 3.350 . 3.350 2.350 2.281 2.404 . 0 0 "[ . 1 . 2 . ]" 1
623 2 50 ILE HA 2 53 LEU H 4.250 . 4.250 3.273 2.942 3.577 . 0 0 "[ . 1 . 2 . ]" 1
624 2 50 ILE HA 2 53 LEU HB2 4.740 . 4.740 2.668 2.298 2.918 . 0 0 "[ . 1 . 2 . ]" 1
625 2 50 ILE HA 2 53 LEU QB 3.860 . 3.860 2.592 2.085 2.883 . 0 0 "[ . 1 . 2 . ]" 1
626 2 50 ILE HA 2 53 LEU HB3 4.740 . 4.740 4.093 2.151 4.479 . 0 0 "[ . 1 . 2 . ]" 1
627 2 50 ILE HA 2 53 LEU QD 4.490 . 4.490 2.268 1.970 2.802 . 0 0 "[ . 1 . 2 . ]" 1
628 2 50 ILE HB 2 51 THR H 3.830 . 3.830 2.736 2.540 3.073 . 0 0 "[ . 1 . 2 . ]" 1
629 2 50 ILE MD 2 50 ILE MG 3.140 . 3.140 2.163 2.132 2.212 . 0 0 "[ . 1 . 2 . ]" 1
630 2 50 ILE MD 2 53 LEU QD 4.630 . 4.630 2.439 2.104 2.764 . 0 0 "[ . 1 . 2 . ]" 1
631 2 50 ILE MD 2 73 TYR HA 4.430 . 4.430 3.773 3.225 4.145 . 0 0 "[ . 1 . 2 . ]" 1
632 2 50 ILE MD 2 76 PHE HB2 4.470 . 4.470 2.429 2.062 3.079 . 0 0 "[ . 1 . 2 . ]" 1
633 2 50 ILE MD 2 76 PHE QB 3.890 . 3.890 2.193 1.945 2.788 . 0 0 "[ . 1 . 2 . ]" 1
634 2 50 ILE MD 2 76 PHE HB3 4.470 . 4.470 2.520 2.246 3.284 . 0 0 "[ . 1 . 2 . ]" 1
635 2 50 ILE MG 2 51 THR H 4.260 . 4.260 3.765 3.611 3.947 . 0 0 "[ . 1 . 2 . ]" 1
636 2 50 ILE MG 2 51 THR HA 5.210 . 5.210 3.912 3.675 4.136 . 0 0 "[ . 1 . 2 . ]" 1
637 2 50 ILE MG 2 73 TYR HA 5.500 . 5.500 3.412 2.717 4.168 . 0 0 "[ . 1 . 2 . ]" 1
638 2 50 ILE MG 2 73 TYR QB 5.170 . 5.170 4.296 3.793 4.755 . 0 0 "[ . 1 . 2 . ]" 1
639 2 50 ILE MG 2 73 TYR QD 3.610 . 3.610 2.781 2.137 3.424 . 0 0 "[ . 1 . 2 . ]" 1
640 2 50 ILE MG 2 73 TYR QE 3.500 . 3.500 2.416 2.153 3.653 0.153 29 0 "[ . 1 . 2 . ]" 1
641 2 50 ILE MG 2 76 PHE QB 4.530 . 4.530 3.364 2.368 4.343 . 0 0 "[ . 1 . 2 . ]" 1
642 2 51 THR H 2 51 THR HB 3.580 . 3.580 2.610 2.528 2.673 . 0 0 "[ . 1 . 2 . ]" 1
643 2 51 THR H 2 51 THR MG 4.380 . 4.380 3.774 3.743 3.804 . 0 0 "[ . 1 . 2 . ]" 1
644 2 51 THR H 2 52 THR H 3.830 . 3.830 2.659 2.566 2.772 . 0 0 "[ . 1 . 2 . ]" 1
645 2 51 THR H 2 52 THR HA 5.500 . 5.500 5.296 5.211 5.380 . 0 0 "[ . 1 . 2 . ]" 1
646 2 51 THR HA 2 51 THR MG 3.440 . 3.440 2.356 2.312 2.387 . 0 0 "[ . 1 . 2 . ]" 1
647 2 51 THR HA 2 54 LYS H 4.450 . 4.450 3.428 3.217 3.621 . 0 0 "[ . 1 . 2 . ]" 1
648 2 51 THR HA 2 54 LYS HB2 4.560 . 4.560 3.161 2.888 4.443 . 0 0 "[ . 1 . 2 . ]" 1
649 2 51 THR HA 2 54 LYS QB 3.940 . 3.940 2.662 2.438 2.953 . 0 0 "[ . 1 . 2 . ]" 1
650 2 51 THR HA 2 54 LYS HB3 4.560 . 4.560 2.894 2.564 3.387 . 0 0 "[ . 1 . 2 . ]" 1
651 2 51 THR HA 2 54 LYS QE 4.550 . 4.550 2.858 2.394 4.162 . 0 0 "[ . 1 . 2 . ]" 1
652 2 51 THR HA 2 55 LYS H 4.950 . 4.950 4.527 4.186 4.819 . 0 0 "[ . 1 . 2 . ]" 1
653 2 51 THR HB 2 52 THR H 3.850 . 3.850 2.602 2.465 2.736 . 0 0 "[ . 1 . 2 . ]" 1
654 2 51 THR MG 2 52 THR H 4.190 . 4.190 3.641 3.530 3.747 . 0 0 "[ . 1 . 2 . ]" 1
655 2 51 THR MG 2 54 LYS QE 3.760 . 3.760 2.871 2.295 3.756 . 0 0 "[ . 1 . 2 . ]" 1
656 2 52 THR H 2 52 THR HB 3.580 . 3.580 2.583 2.451 2.741 . 0 0 "[ . 1 . 2 . ]" 1
657 2 52 THR H 2 52 THR MG 4.300 . 4.300 3.767 3.733 3.802 . 0 0 "[ . 1 . 2 . ]" 1
658 2 52 THR H 2 53 LEU H 3.540 . 3.540 2.783 2.681 2.856 . 0 0 "[ . 1 . 2 . ]" 1
659 2 52 THR HA 2 55 LYS QB 4.330 . 4.330 2.979 2.562 3.528 . 0 0 "[ . 1 . 2 . ]" 1
660 2 52 THR HA 2 55 LYS QG 4.870 . 4.870 3.492 2.816 4.897 0.027 15 0 "[ . 1 . 2 . ]" 1
661 2 52 THR HB 2 53 LEU H 4.080 . 4.080 2.549 2.339 2.628 . 0 0 "[ . 1 . 2 . ]" 1
662 2 52 THR MG 2 53 LEU H 4.410 . 4.410 3.520 3.324 3.646 . 0 0 "[ . 1 . 2 . ]" 1
663 2 52 THR MG 2 53 LEU HA 4.330 . 4.330 3.658 3.430 3.803 . 0 0 "[ . 1 . 2 . ]" 1
664 2 52 THR MG 2 55 LYS H 4.770 . 4.770 4.487 4.347 4.774 0.004 16 0 "[ . 1 . 2 . ]" 1
665 2 52 THR MG 2 56 ILE H 5.500 . 5.500 4.323 3.799 4.806 . 0 0 "[ . 1 . 2 . ]" 1
666 2 52 THR MG 2 56 ILE MD 3.770 . 3.770 2.730 2.132 3.382 . 0 0 "[ . 1 . 2 . ]" 1
667 2 52 THR MG 2 56 ILE QG 4.680 . 4.680 3.083 2.584 3.644 . 0 0 "[ . 1 . 2 . ]" 1
668 2 53 LEU H 2 53 LEU QB 3.540 . 3.540 2.347 1.915 2.502 . 0 0 "[ . 1 . 2 . ]" 1
669 2 53 LEU H 2 53 LEU MD1 4.440 . 4.440 3.546 3.295 4.039 . 0 0 "[ . 1 . 2 . ]" 1
670 2 53 LEU H 2 53 LEU QD 3.880 . 3.880 3.224 3.089 3.608 . 0 0 "[ . 1 . 2 . ]" 1
671 2 53 LEU H 2 53 LEU MD2 4.440 . 4.440 3.714 3.388 4.359 . 0 0 "[ . 1 . 2 . ]" 1
672 2 53 LEU H 2 53 LEU HG 4.210 . 4.210 2.623 2.271 4.311 0.101 11 0 "[ . 1 . 2 . ]" 1
673 2 53 LEU H 2 54 LYS H 3.650 . 3.650 2.715 2.650 2.786 . 0 0 "[ . 1 . 2 . ]" 1
674 2 53 LEU H 2 54 LYS HA 5.500 . 5.500 5.356 5.311 5.401 . 0 0 "[ . 1 . 2 . ]" 1
675 2 53 LEU HA 2 53 LEU QD 3.080 . 3.080 2.195 2.116 2.646 . 0 0 "[ . 1 . 2 . ]" 1
676 2 53 LEU HA 2 55 LYS H 5.230 . 5.230 4.207 4.046 4.315 . 0 0 "[ . 1 . 2 . ]" 1
677 2 53 LEU HA 2 56 ILE H 4.310 . 4.310 3.550 3.251 3.783 . 0 0 "[ . 1 . 2 . ]" 1
678 2 53 LEU HA 2 56 ILE MD 3.750 . 3.750 2.328 2.082 2.598 . 0 0 "[ . 1 . 2 . ]" 1
679 2 53 LEU HA 2 56 ILE QG 3.710 . 3.710 2.626 2.151 3.363 . 0 0 "[ . 1 . 2 . ]" 1
680 2 53 LEU QB 2 54 LYS H 3.750 . 3.750 2.577 2.310 2.705 . 0 0 "[ . 1 . 2 . ]" 1
681 2 53 LEU QB 2 73 TYR QE 5.140 . 5.140 3.893 2.039 5.041 . 0 0 "[ . 1 . 2 . ]" 1
682 2 53 LEU HB2 2 54 LYS H 4.460 . 4.460 2.758 2.352 3.892 . 0 0 "[ . 1 . 2 . ]" 1
683 2 53 LEU HB3 2 54 LYS H 4.460 . 4.460 3.465 2.333 3.660 . 0 0 "[ . 1 . 2 . ]" 1
684 2 53 LEU QD 2 69 SER HA 3.670 . 3.670 2.445 2.141 3.197 . 0 0 "[ . 1 . 2 . ]" 1
685 2 53 LEU QD 2 72 LEU H 4.190 . 4.190 3.891 3.675 4.389 0.199 29 0 "[ . 1 . 2 . ]" 1
686 2 53 LEU QD 2 72 LEU QB 3.450 . 3.450 2.019 1.898 2.167 . 0 0 "[ . 1 . 2 . ]" 1
687 2 53 LEU QD 2 73 TYR H 4.640 . 4.640 2.988 2.711 3.957 . 0 0 "[ . 1 . 2 . ]" 1
688 2 53 LEU QD 2 73 TYR HA 5.210 . 5.210 2.648 2.104 3.903 . 0 0 "[ . 1 . 2 . ]" 1
689 2 53 LEU QD 2 73 TYR QD 4.220 . 4.220 3.172 2.241 3.910 . 0 0 "[ . 1 . 2 . ]" 1
690 2 53 LEU QD 2 76 PHE QD 3.750 . 3.750 2.591 2.217 3.902 0.152 27 0 "[ . 1 . 2 . ]" 1
691 2 53 LEU MD1 2 72 LEU H 4.960 . 4.960 4.595 4.017 4.983 0.023 27 0 "[ . 1 . 2 . ]" 1
692 2 53 LEU MD1 2 76 PHE QD 4.650 . 4.650 2.736 2.223 4.710 0.060 11 0 "[ . 1 . 2 . ]" 1
693 2 53 LEU MD2 2 72 LEU H 4.960 . 4.960 4.235 3.793 5.155 0.195 29 0 "[ . 1 . 2 . ]" 1
694 2 53 LEU MD2 2 76 PHE QD 4.650 . 4.650 4.481 2.621 5.009 0.359 14 0 "[ . 1 . 2 . ]" 1
695 2 54 LYS H 2 54 LYS HB2 3.580 . 3.580 2.378 2.215 3.459 . 0 0 "[ . 1 . 2 . ]" 1
696 2 54 LYS H 2 54 LYS HB3 3.580 . 3.580 2.599 2.107 2.785 . 0 0 "[ . 1 . 2 . ]" 1
697 2 54 LYS H 2 55 LYS H 3.640 . 3.640 2.734 2.621 2.984 . 0 0 "[ . 1 . 2 . ]" 1
698 2 54 LYS H 2 73 TYR QD 4.430 . 4.430 3.494 3.005 4.666 0.236 29 0 "[ . 1 . 2 . ]" 1
699 2 54 LYS H 2 73 TYR QE 4.900 . 4.900 3.652 2.626 4.654 . 0 0 "[ . 1 . 2 . ]" 1
700 2 54 LYS HA 2 54 LYS QG 3.710 . 3.710 2.457 2.332 3.459 . 0 0 "[ . 1 . 2 . ]" 1
701 2 54 LYS HA 2 57 ARG H 4.740 . 4.740 4.044 3.486 4.754 0.014 19 0 "[ . 1 . 2 . ]" 1
702 2 54 LYS HA 2 73 TYR QE 4.830 . 4.830 3.763 2.201 4.504 . 0 0 "[ . 1 . 2 . ]" 1
703 2 54 LYS QB 2 55 LYS H 3.920 . 3.920 2.737 2.582 3.599 . 0 0 "[ . 1 . 2 . ]" 1
704 2 54 LYS QB 2 73 TYR QD 4.480 . 4.480 3.427 2.745 4.544 0.064 16 0 "[ . 1 . 2 . ]" 1
705 2 54 LYS QB 2 73 TYR QE 4.580 . 4.580 2.402 2.036 3.193 . 0 0 "[ . 1 . 2 . ]" 1
706 2 55 LYS H 2 55 LYS QB 3.520 . 3.520 2.342 2.005 2.503 . 0 0 "[ . 1 . 2 . ]" 1
707 2 55 LYS H 2 55 LYS QD 5.110 . 5.110 4.074 3.580 4.593 . 0 0 "[ . 1 . 2 . ]" 1
708 2 55 LYS H 2 55 LYS HG2 4.540 . 4.540 3.803 3.222 4.536 . 0 0 "[ . 1 . 2 . ]" 1
709 2 55 LYS H 2 55 LYS QG 3.800 . 3.800 2.797 2.232 3.942 0.142 28 0 "[ . 1 . 2 . ]" 1
710 2 55 LYS H 2 55 LYS HG3 4.540 . 4.540 2.942 2.262 4.408 . 0 0 "[ . 1 . 2 . ]" 1
711 2 55 LYS QD 2 56 ILE H 5.500 . 5.500 4.759 4.357 5.188 . 0 0 "[ . 1 . 2 . ]" 1
712 2 56 ILE H 2 56 ILE MD 4.450 . 4.450 3.469 3.322 3.605 . 0 0 "[ . 1 . 2 . ]" 1
713 2 56 ILE H 2 56 ILE QG 3.780 . 3.780 1.794 1.646 2.031 . 0 0 "[ . 1 . 2 . ]" 1
714 2 56 ILE H 2 56 ILE MG 3.940 . 3.940 3.722 3.448 3.845 . 0 0 "[ . 1 . 2 . ]" 1
715 2 56 ILE H 2 57 ARG H 3.710 . 3.710 2.869 2.714 3.060 . 0 0 "[ . 1 . 2 . ]" 1
716 2 56 ILE HA 2 56 ILE MG 3.660 . 3.660 2.228 2.116 2.426 . 0 0 "[ . 1 . 2 . ]" 1
717 2 56 ILE HA 2 58 ARG H 4.230 . 4.230 3.345 3.141 3.557 . 0 0 "[ . 1 . 2 . ]" 1
718 2 56 ILE HA 2 59 PHE H 3.980 . 3.980 3.389 3.038 3.746 . 0 0 "[ . 1 . 2 . ]" 1
719 2 56 ILE HA 2 59 PHE QB 4.300 . 4.300 3.273 2.839 3.711 . 0 0 "[ . 1 . 2 . ]" 1
720 2 56 ILE HB 2 56 ILE MD 3.680 . 3.680 2.393 2.241 2.508 . 0 0 "[ . 1 . 2 . ]" 1
721 2 56 ILE HB 2 59 PHE QB 5.170 . 5.170 4.514 4.058 4.980 . 0 0 "[ . 1 . 2 . ]" 1
722 2 56 ILE HB 2 65 ILE MG 4.340 . 4.340 3.623 2.731 4.334 . 0 0 "[ . 1 . 2 . ]" 1
723 2 56 ILE MD 2 65 ILE MG 3.660 . 3.660 3.406 2.750 3.777 0.117 26 0 "[ . 1 . 2 . ]" 1
724 2 56 ILE QG 2 57 ARG H 5.070 . 5.070 3.925 3.291 4.255 . 0 0 "[ . 1 . 2 . ]" 1
725 2 56 ILE QG 2 65 ILE MG 4.520 . 4.520 4.311 4.039 4.562 0.042 1 0 "[ . 1 . 2 . ]" 1
726 2 56 ILE MG 2 57 ARG HA 4.770 . 4.770 4.276 3.516 4.821 0.051 17 0 "[ . 1 . 2 . ]" 1
727 2 56 ILE MG 2 58 ARG H 4.650 . 4.650 4.462 4.349 4.645 . 0 0 "[ . 1 . 2 . ]" 1
728 2 56 ILE MG 2 59 PHE H 4.590 . 4.590 3.555 3.336 3.923 . 0 0 "[ . 1 . 2 . ]" 1
729 2 56 ILE MG 2 59 PHE QB 4.410 . 4.410 2.434 2.157 2.748 . 0 0 "[ . 1 . 2 . ]" 1
730 2 56 ILE MG 2 65 ILE MD 4.830 . 4.830 3.839 3.299 4.298 . 0 0 "[ . 1 . 2 . ]" 1
731 2 56 ILE MG 2 65 ILE MG 4.050 . 4.050 2.041 1.911 2.230 . 0 0 "[ . 1 . 2 . ]" 1
732 2 56 ILE MG 2 69 SER QB 4.870 . 4.870 3.310 2.334 4.225 . 0 0 "[ . 1 . 2 . ]" 1
733 2 57 ARG H 2 57 ARG QB 3.750 . 3.750 2.416 2.295 2.646 . 0 0 "[ . 1 . 2 . ]" 1
734 2 57 ARG H 2 57 ARG HG2 3.840 . 3.840 3.095 1.852 3.688 . 0 0 "[ . 1 . 2 . ]" 1
735 2 57 ARG H 2 57 ARG HG3 3.840 . 3.840 2.753 2.030 3.834 . 0 0 "[ . 1 . 2 . ]" 1
736 2 57 ARG H 2 58 ARG H 3.780 . 3.780 2.789 2.674 2.973 . 0 0 "[ . 1 . 2 . ]" 1
737 2 57 ARG HA 2 59 PHE H 4.670 . 4.670 3.720 3.446 4.005 . 0 0 "[ . 1 . 2 . ]" 1
738 2 57 ARG QB 2 58 ARG H 4.070 . 4.070 3.541 2.886 3.867 . 0 0 "[ . 1 . 2 . ]" 1
739 2 58 ARG H 2 58 ARG HG2 4.660 . 4.660 3.771 2.392 4.544 . 0 0 "[ . 1 . 2 . ]" 1
740 2 58 ARG H 2 58 ARG HG3 4.660 . 4.660 3.831 2.553 4.420 . 0 0 "[ . 1 . 2 . ]" 1
741 2 58 ARG H 2 59 PHE H 3.540 . 3.540 2.450 2.306 2.610 . 0 0 "[ . 1 . 2 . ]" 1
742 2 58 ARG H 2 59 PHE QB 4.620 . 4.620 4.145 3.979 4.446 . 0 0 "[ . 1 . 2 . ]" 1
743 2 58 ARG HA 2 58 ARG QD 3.890 . 3.890 2.818 2.057 4.099 0.209 26 0 "[ . 1 . 2 . ]" 1
744 2 58 ARG QB 2 58 ARG QD 3.470 . 3.470 2.232 1.957 2.529 . 0 0 "[ . 1 . 2 . ]" 1
745 2 58 ARG QD 2 59 PHE H 5.080 . 5.080 4.874 4.426 5.196 0.116 13 0 "[ . 1 . 2 . ]" 1
746 2 59 PHE H 2 59 PHE HB2 3.700 . 3.700 2.407 2.228 2.653 . 0 0 "[ . 1 . 2 . ]" 1
747 2 59 PHE H 2 59 PHE HB3 3.700 . 3.700 2.649 2.485 2.790 . 0 0 "[ . 1 . 2 . ]" 1
748 2 59 PHE H 2 59 PHE QD 4.510 . 4.510 4.168 3.977 4.259 . 0 0 "[ . 1 . 2 . ]" 1
749 2 59 PHE QB 2 65 ILE MG 4.790 . 4.790 2.952 2.466 3.941 . 0 0 "[ . 1 . 2 . ]" 1
750 2 59 PHE QD 2 61 VAL QG 4.830 . 4.830 3.387 2.852 3.736 . 0 0 "[ . 1 . 2 . ]" 1
751 2 59 PHE QD 2 65 ILE HB 5.010 . 5.010 2.684 2.338 3.319 . 0 0 "[ . 1 . 2 . ]" 1
752 2 59 PHE QD 2 65 ILE MD 4.810 . 4.810 2.927 2.242 3.717 . 0 0 "[ . 1 . 2 . ]" 1
753 2 59 PHE QD 2 65 ILE MG 4.060 . 4.060 3.202 2.821 4.069 0.009 8 0 "[ . 1 . 2 . ]" 1
754 2 60 LYS H 2 60 LYS QD 4.560 . 4.560 3.943 3.253 4.446 . 0 0 "[ . 1 . 2 . ]" 1
755 2 60 LYS H 2 60 LYS QG 4.610 . 4.610 2.894 2.004 4.054 . 0 0 "[ . 1 . 2 . ]" 1
756 2 60 LYS H 2 61 VAL H 4.750 . 4.750 2.529 2.158 2.923 . 0 0 "[ . 1 . 2 . ]" 1
757 2 60 LYS HA 2 62 SER H 4.690 . 4.690 3.871 3.397 4.282 . 0 0 "[ . 1 . 2 . ]" 1
758 2 61 VAL H 2 61 VAL HB 4.040 . 4.040 2.850 2.432 3.677 . 0 0 "[ . 1 . 2 . ]" 1
759 2 61 VAL H 2 61 VAL MG1 4.540 . 4.540 3.509 2.166 3.797 . 0 0 "[ . 1 . 2 . ]" 1
760 2 61 VAL H 2 61 VAL QG 3.450 . 3.450 1.881 1.677 2.237 . 0 0 "[ . 1 . 2 . ]" 1
761 2 61 VAL H 2 61 VAL MG2 4.540 . 4.540 1.955 1.680 3.776 . 0 0 "[ . 1 . 2 . ]" 1
762 2 61 VAL H 2 62 SER H 3.930 . 3.930 2.701 2.382 2.884 . 0 0 "[ . 1 . 2 . ]" 1
763 2 61 VAL HB 2 62 SER H 4.480 . 4.480 3.207 2.554 4.319 . 0 0 "[ . 1 . 2 . ]" 1
764 2 61 VAL QG 2 62 SER H 3.820 . 3.820 3.329 2.739 3.628 . 0 0 "[ . 1 . 2 . ]" 1
765 2 61 VAL QG 2 65 ILE MD 5.200 . 5.200 4.558 3.962 4.890 . 0 0 "[ . 1 . 2 . ]" 1
766 2 61 VAL MG2 2 62 SER H 4.630 . 4.630 3.671 2.822 4.224 . 0 0 "[ . 1 . 2 . ]" 1
767 2 62 SER H 2 62 SER QB 3.660 . 3.660 2.756 2.494 3.062 . 0 0 "[ . 1 . 2 . ]" 1
768 2 62 SER H 2 65 ILE HB 5.500 . 5.500 4.321 3.763 5.048 . 0 0 "[ . 1 . 2 . ]" 1
769 2 62 SER H 2 65 ILE MD 5.430 . 5.430 4.309 3.855 4.780 . 0 0 "[ . 1 . 2 . ]" 1
770 2 62 SER QB 2 65 ILE MD 3.840 . 3.840 2.378 2.081 3.040 . 0 0 "[ . 1 . 2 . ]" 1
771 2 62 SER QB 2 65 ILE MG 5.340 . 5.340 4.211 3.710 5.150 . 0 0 "[ . 1 . 2 . ]" 1
772 2 63 GLN HA 2 66 MET H 4.180 . 4.180 3.326 3.067 3.653 . 0 0 "[ . 1 . 2 . ]" 1
773 2 63 GLN HA 2 66 MET QG 4.400 . 4.400 2.280 1.896 4.308 . 0 0 "[ . 1 . 2 . ]" 1
774 2 63 GLN QB 2 64 VAL H 3.870 . 3.870 3.210 2.632 3.710 . 0 0 "[ . 1 . 2 . ]" 1
775 2 63 GLN HB2 2 64 VAL H 4.570 . 4.570 3.486 2.721 4.148 . 0 0 "[ . 1 . 2 . ]" 1
776 2 63 GLN HB3 2 64 VAL H 4.570 . 4.570 3.921 2.798 4.271 . 0 0 "[ . 1 . 2 . ]" 1
777 2 64 VAL H 2 64 VAL HB 3.460 . 3.460 2.587 2.493 2.649 . 0 0 "[ . 1 . 2 . ]" 1
778 2 64 VAL H 2 64 VAL MG1 4.190 . 4.190 3.451 2.058 3.827 . 0 0 "[ . 1 . 2 . ]" 1
779 2 64 VAL H 2 64 VAL QG 3.190 . 3.190 2.032 1.926 2.176 . 0 0 "[ . 1 . 2 . ]" 1
780 2 64 VAL H 2 64 VAL MG2 4.190 . 4.190 2.387 1.931 3.817 . 0 0 "[ . 1 . 2 . ]" 1
781 2 64 VAL HA 2 64 VAL MG1 3.490 . 3.490 2.567 2.345 3.288 . 0 0 "[ . 1 . 2 . ]" 1
782 2 64 VAL HA 2 64 VAL MG2 3.490 . 3.490 2.412 2.341 2.454 . 0 0 "[ . 1 . 2 . ]" 1
783 2 64 VAL HA 2 66 MET H 4.910 . 4.910 4.607 4.348 4.784 . 0 0 "[ . 1 . 2 . ]" 1
784 2 64 VAL HA 2 67 GLU H 4.250 . 4.250 3.496 3.255 3.714 . 0 0 "[ . 1 . 2 . ]" 1
785 2 64 VAL HA 2 67 GLU HB2 4.610 . 4.610 3.197 2.480 4.668 0.058 21 0 "[ . 1 . 2 . ]" 1
786 2 64 VAL HA 2 67 GLU HB3 4.610 . 4.610 3.988 2.567 4.607 . 0 0 "[ . 1 . 2 . ]" 1
787 2 64 VAL HA 2 67 GLU QG 4.610 . 4.610 3.365 1.964 4.016 . 0 0 "[ . 1 . 2 . ]" 1
788 2 64 VAL HB 2 65 ILE H 4.080 . 4.080 2.975 2.531 4.087 0.007 28 0 "[ . 1 . 2 . ]" 1
789 2 64 VAL QG 2 65 ILE H 4.130 . 4.130 3.101 2.186 3.420 . 0 0 "[ . 1 . 2 . ]" 1
790 2 64 VAL QG 2 65 ILE HA 4.770 . 4.770 3.488 3.101 3.760 . 0 0 "[ . 1 . 2 . ]" 1
791 2 64 VAL QG 2 67 GLU H 5.130 . 5.130 4.418 4.249 4.579 . 0 0 "[ . 1 . 2 . ]" 1
792 2 64 VAL QG 2 68 LYS H 4.940 . 4.940 3.870 3.735 4.167 . 0 0 "[ . 1 . 2 . ]" 1
793 2 64 VAL QG 2 68 LYS QE 3.320 . 3.320 2.747 2.170 3.424 0.104 4 0 "[ . 1 . 2 . ]" 1
794 2 64 VAL QG 2 68 LYS QG 4.070 . 4.070 3.073 2.326 3.994 . 0 0 "[ . 1 . 2 . ]" 1
795 2 65 ILE H 2 65 ILE HB 4.060 . 4.060 2.433 2.322 2.783 . 0 0 "[ . 1 . 2 . ]" 1
796 2 65 ILE H 2 65 ILE MD 4.230 . 4.230 3.623 3.526 3.695 . 0 0 "[ . 1 . 2 . ]" 1
797 2 65 ILE H 2 65 ILE HG12 4.450 . 4.450 3.597 2.765 3.783 . 0 0 "[ . 1 . 2 . ]" 1
798 2 65 ILE H 2 65 ILE QG 3.660 . 3.660 2.305 1.929 2.454 . 0 0 "[ . 1 . 2 . ]" 1
799 2 65 ILE H 2 65 ILE HG13 4.450 . 4.450 2.333 1.968 2.487 . 0 0 "[ . 1 . 2 . ]" 1
800 2 65 ILE H 2 66 MET H 3.740 . 3.740 2.710 2.592 2.794 . 0 0 "[ . 1 . 2 . ]" 1
801 2 65 ILE HA 2 65 ILE MD 4.270 . 4.270 3.827 3.784 3.897 . 0 0 "[ . 1 . 2 . ]" 1
802 2 65 ILE HA 2 65 ILE HG12 4.180 . 4.180 2.456 2.373 2.612 . 0 0 "[ . 1 . 2 . ]" 1
803 2 65 ILE HA 2 65 ILE QG 3.560 . 3.560 2.321 2.260 2.524 . 0 0 "[ . 1 . 2 . ]" 1
804 2 65 ILE HA 2 65 ILE HG13 4.180 . 4.180 2.866 2.689 3.422 . 0 0 "[ . 1 . 2 . ]" 1
805 2 65 ILE HA 2 65 ILE MG 3.560 . 3.560 2.512 2.329 2.568 . 0 0 "[ . 1 . 2 . ]" 1
806 2 65 ILE HA 2 68 LYS H 4.600 . 4.600 3.532 3.316 3.767 . 0 0 "[ . 1 . 2 . ]" 1
807 2 65 ILE HA 2 68 LYS QB 4.120 . 4.120 2.866 2.600 3.216 . 0 0 "[ . 1 . 2 . ]" 1
808 2 65 ILE HA 2 68 LYS QG 5.240 . 5.240 4.107 3.264 4.792 . 0 0 "[ . 1 . 2 . ]" 1
809 2 65 ILE HB 2 66 MET H 3.660 . 3.660 2.714 2.579 2.858 . 0 0 "[ . 1 . 2 . ]" 1
810 2 65 ILE MD 2 65 ILE MG 3.400 . 3.400 2.054 2.024 2.115 . 0 0 "[ . 1 . 2 . ]" 1
811 2 65 ILE QG 2 66 MET H 5.100 . 5.100 4.181 3.720 4.271 . 0 0 "[ . 1 . 2 . ]" 1
812 2 65 ILE MG 2 66 MET H 3.940 . 3.940 3.325 3.167 3.751 . 0 0 "[ . 1 . 2 . ]" 1
813 2 65 ILE MG 2 66 MET HA 5.040 . 5.040 3.266 3.124 3.764 . 0 0 "[ . 1 . 2 . ]" 1
814 2 65 ILE MG 2 67 GLU H 5.500 . 5.500 4.939 4.821 5.122 . 0 0 "[ . 1 . 2 . ]" 1
815 2 65 ILE MG 2 68 LYS H 5.500 . 5.500 4.868 4.704 5.039 . 0 0 "[ . 1 . 2 . ]" 1
816 2 65 ILE MG 2 69 SER H 4.710 . 4.710 3.999 3.781 4.222 . 0 0 "[ . 1 . 2 . ]" 1
817 2 65 ILE MG 2 69 SER QB 5.320 . 5.320 3.530 3.188 4.134 . 0 0 "[ . 1 . 2 . ]" 1
818 2 65 ILE MG 2 69 SER HG 4.410 . 4.410 3.080 2.615 4.326 . 0 0 "[ . 1 . 2 . ]" 1
819 2 66 MET H 2 66 MET HB2 4.060 . 4.060 3.495 2.002 3.703 . 0 0 "[ . 1 . 2 . ]" 1
820 2 66 MET H 2 66 MET QB 3.490 . 3.490 2.504 1.983 2.758 . 0 0 "[ . 1 . 2 . ]" 1
821 2 66 MET H 2 66 MET HB3 4.060 . 4.060 2.677 2.338 3.210 . 0 0 "[ . 1 . 2 . ]" 1
822 2 66 MET H 2 66 MET HG2 4.250 . 4.250 2.639 1.960 4.327 0.077 29 0 "[ . 1 . 2 . ]" 1
823 2 66 MET H 2 66 MET QG 3.400 . 3.400 2.401 1.932 3.448 0.048 29 0 "[ . 1 . 2 . ]" 1
824 2 66 MET H 2 66 MET HG3 4.250 . 4.250 3.317 2.159 3.917 . 0 0 "[ . 1 . 2 . ]" 1
825 2 66 MET H 2 67 GLU H 3.730 . 3.730 2.673 2.558 2.849 . 0 0 "[ . 1 . 2 . ]" 1
826 2 66 MET HA 2 66 MET QG 3.710 . 3.710 3.250 2.133 3.486 . 0 0 "[ . 1 . 2 . ]" 1
827 2 66 MET HA 2 69 SER HG 3.490 . 3.490 2.202 1.852 3.027 . 0 0 "[ . 1 . 2 . ]" 1
828 2 66 MET HA 2 70 THR H 4.360 . 4.360 3.925 3.764 4.314 . 0 0 "[ . 1 . 2 . ]" 1
829 2 66 MET QB 2 67 GLU H 3.850 . 3.850 3.546 2.571 3.724 . 0 0 "[ . 1 . 2 . ]" 1
830 2 66 MET HB2 2 66 MET ME 3.920 . 3.920 2.710 2.178 3.956 0.036 15 0 "[ . 1 . 2 . ]" 1
831 2 66 MET HB3 2 66 MET ME 3.920 . 3.920 2.942 2.204 3.986 0.066 15 0 "[ . 1 . 2 . ]" 1
832 2 66 MET ME 2 66 MET QG 3.420 . 3.420 2.361 2.242 2.474 . 0 0 "[ . 1 . 2 . ]" 1
833 2 66 MET QG 2 67 GLU H 4.560 . 4.560 2.692 2.347 4.366 . 0 0 "[ . 1 . 2 . ]" 1
834 2 66 MET QG 2 67 GLU HA 5.010 . 5.010 3.757 3.186 5.055 0.045 29 0 "[ . 1 . 2 . ]" 1
835 2 67 GLU H 2 67 GLU HB2 3.950 . 3.950 2.644 2.118 3.647 . 0 0 "[ . 1 . 2 . ]" 1
836 2 67 GLU H 2 67 GLU QB 3.380 . 3.380 2.278 1.964 2.434 . 0 0 "[ . 1 . 2 . ]" 1
837 2 67 GLU H 2 67 GLU HB3 3.950 . 3.950 3.220 1.986 3.612 . 0 0 "[ . 1 . 2 . ]" 1
838 2 67 GLU H 2 67 GLU HG2 4.220 . 4.220 3.343 2.519 4.254 0.034 8 0 "[ . 1 . 2 . ]" 1
839 2 67 GLU H 2 67 GLU QG 3.530 . 3.530 2.660 2.378 3.523 . 0 0 "[ . 1 . 2 . ]" 1
840 2 67 GLU H 2 67 GLU HG3 4.220 . 4.220 3.232 2.410 4.243 0.023 1 0 "[ . 1 . 2 . ]" 1
841 2 67 GLU H 2 68 LYS H 3.630 . 3.630 2.712 2.592 2.809 . 0 0 "[ . 1 . 2 . ]" 1
842 2 67 GLU H 2 69 SER H 4.480 . 4.480 4.115 3.933 4.314 . 0 0 "[ . 1 . 2 . ]" 1
843 2 67 GLU HB2 2 68 LYS H 4.220 . 4.220 3.002 2.375 4.154 . 0 0 "[ . 1 . 2 . ]" 1
844 2 67 GLU HB3 2 68 LYS H 4.220 . 4.220 3.437 3.057 3.922 . 0 0 "[ . 1 . 2 . ]" 1
845 2 68 LYS H 2 68 LYS QB 3.600 . 3.600 2.269 2.107 2.411 . 0 0 "[ . 1 . 2 . ]" 1
846 2 68 LYS H 2 68 LYS QG 4.150 . 4.150 2.976 2.294 3.824 . 0 0 "[ . 1 . 2 . ]" 1
847 2 68 LYS H 2 69 SER H 3.790 . 3.790 2.712 2.588 2.806 . 0 0 "[ . 1 . 2 . ]" 1
848 2 68 LYS QB 2 69 SER H 4.220 . 4.220 2.649 2.461 2.859 . 0 0 "[ . 1 . 2 . ]" 1
849 2 69 SER H 2 69 SER QB 3.700 . 3.700 2.584 2.428 2.681 . 0 0 "[ . 1 . 2 . ]" 1
850 2 69 SER H 2 69 SER HG 3.470 . 3.470 2.098 1.996 2.411 . 0 0 "[ . 1 . 2 . ]" 1
851 2 69 SER H 2 70 THR H 3.640 . 3.640 2.700 2.569 2.800 . 0 0 "[ . 1 . 2 . ]" 1
852 2 69 SER HA 2 72 LEU H 4.520 . 4.520 3.422 3.152 3.632 . 0 0 "[ . 1 . 2 . ]" 1
853 2 69 SER HA 2 72 LEU QB 5.080 . 5.080 2.714 2.468 3.102 . 0 0 "[ . 1 . 2 . ]" 1
854 2 69 SER HA 2 72 LEU QD 4.880 . 4.880 2.969 2.375 3.615 . 0 0 "[ . 1 . 2 . ]" 1
855 2 69 SER HG 2 70 THR H 4.130 . 4.130 3.308 2.466 4.136 0.006 16 0 "[ . 1 . 2 . ]" 1
856 2 70 THR H 2 70 THR HB 4.000 . 4.000 2.552 2.418 2.660 . 0 0 "[ . 1 . 2 . ]" 1
857 2 70 THR H 2 70 THR MG 4.090 . 4.090 3.472 2.358 3.835 . 0 0 "[ . 1 . 2 . ]" 1
858 2 70 THR H 2 71 MET H 3.430 . 3.430 2.605 2.500 2.688 . 0 0 "[ . 1 . 2 . ]" 1
859 2 70 THR HA 2 70 THR MG 3.380 . 3.380 2.576 2.314 3.243 . 0 0 "[ . 1 . 2 . ]" 1
860 2 70 THR HB 2 73 TYR QB 5.220 . 5.220 4.933 4.326 5.291 0.071 29 0 "[ . 1 . 2 . ]" 1
861 2 70 THR MG 2 71 MET H 3.900 . 3.900 3.329 2.409 3.702 . 0 0 "[ . 1 . 2 . ]" 1
862 2 70 THR MG 2 71 MET HA 4.500 . 4.500 3.588 3.261 3.824 . 0 0 "[ . 1 . 2 . ]" 1
863 2 70 THR MG 2 73 TYR QB 4.750 . 4.750 3.719 3.174 4.693 . 0 0 "[ . 1 . 2 . ]" 1
864 2 70 THR MG 2 74 ASN H 5.500 . 5.500 4.149 3.718 4.899 . 0 0 "[ . 1 . 2 . ]" 1
865 2 71 MET H 2 71 MET QB 3.170 . 3.170 2.218 2.190 2.254 . 0 0 "[ . 1 . 2 . ]" 1
866 2 71 MET H 2 71 MET QG 4.430 . 4.430 3.995 3.966 4.050 . 0 0 "[ . 1 . 2 . ]" 1
867 2 71 MET H 2 72 LEU H 3.720 . 3.720 2.763 2.624 2.881 . 0 0 "[ . 1 . 2 . ]" 1
868 2 71 MET QB 2 72 LEU H 3.740 . 3.740 2.428 2.292 2.578 . 0 0 "[ . 1 . 2 . ]" 1
869 2 72 LEU H 2 72 LEU HB2 4.030 . 4.030 2.242 2.082 2.403 . 0 0 "[ . 1 . 2 . ]" 1
870 2 72 LEU H 2 72 LEU QB 3.190 . 3.190 2.218 2.064 2.369 . 0 0 "[ . 1 . 2 . ]" 1
871 2 72 LEU H 2 72 LEU HB3 4.030 . 4.030 3.525 3.390 3.590 . 0 0 "[ . 1 . 2 . ]" 1
872 2 72 LEU H 2 72 LEU MD1 4.740 . 4.740 3.189 2.320 3.989 . 0 0 "[ . 1 . 2 . ]" 1
873 2 72 LEU H 2 72 LEU QD 4.020 . 4.020 2.885 2.305 3.546 . 0 0 "[ . 1 . 2 . ]" 1
874 2 72 LEU H 2 72 LEU MD2 4.740 . 4.740 3.750 2.467 4.145 . 0 0 "[ . 1 . 2 . ]" 1
875 2 72 LEU H 2 73 TYR H 3.790 . 3.790 2.691 2.619 2.771 . 0 0 "[ . 1 . 2 . ]" 1
876 2 72 LEU H 2 73 TYR QB 4.920 . 4.920 4.464 4.338 4.867 . 0 0 "[ . 1 . 2 . ]" 1
877 2 72 LEU HA 2 72 LEU QD 3.040 . 3.040 2.277 1.947 2.744 . 0 0 "[ . 1 . 2 . ]" 1
878 2 72 LEU HA 2 75 LYS H 4.090 . 4.090 3.209 3.071 3.394 . 0 0 "[ . 1 . 2 . ]" 1
879 2 72 LEU HA 2 75 LYS QB 4.380 . 4.380 2.432 2.231 2.754 . 0 0 "[ . 1 . 2 . ]" 1
880 2 72 LEU QB 2 74 ASN H 5.340 . 5.340 4.693 4.573 4.816 . 0 0 "[ . 1 . 2 . ]" 1
881 2 73 TYR H 2 73 TYR QB 3.770 . 3.770 2.257 2.155 2.643 . 0 0 "[ . 1 . 2 . ]" 1
882 2 73 TYR H 2 74 ASN H 3.650 . 3.650 2.749 2.650 2.852 . 0 0 "[ . 1 . 2 . ]" 1
883 2 73 TYR HA 2 73 TYR QD 3.850 . 3.850 2.823 2.260 3.140 . 0 0 "[ . 1 . 2 . ]" 1
884 2 73 TYR HA 2 76 PHE H 4.370 . 4.370 3.655 3.374 3.920 . 0 0 "[ . 1 . 2 . ]" 1
885 2 73 TYR QB 2 74 ASN H 3.580 . 3.580 2.529 2.431 2.648 . 0 0 "[ . 1 . 2 . ]" 1
886 2 73 TYR QB 2 74 ASN HA 4.400 . 4.400 4.104 3.712 4.300 . 0 0 "[ . 1 . 2 . ]" 1
887 2 74 ASN H 2 74 ASN HB2 3.810 . 3.810 2.384 2.163 2.489 . 0 0 "[ . 1 . 2 . ]" 1
888 2 74 ASN H 2 74 ASN QB 3.190 . 3.190 2.256 2.143 2.436 . 0 0 "[ . 1 . 2 . ]" 1
889 2 74 ASN H 2 74 ASN HB3 3.810 . 3.810 2.924 2.570 3.635 . 0 0 "[ . 1 . 2 . ]" 1
890 2 74 ASN H 2 75 LYS H 3.450 . 3.450 2.639 2.574 2.748 . 0 0 "[ . 1 . 2 . ]" 1
891 2 74 ASN H 2 76 PHE H 4.690 . 4.690 4.229 4.024 4.378 . 0 0 "[ . 1 . 2 . ]" 1
892 2 74 ASN HA 2 77 LYS QB 4.400 . 4.400 2.738 2.033 4.091 . 0 0 "[ . 1 . 2 . ]" 1
893 2 74 ASN HA 2 77 LYS QD 4.980 . 4.980 3.228 2.265 4.544 . 0 0 "[ . 1 . 2 . ]" 1
894 2 74 ASN HA 2 77 LYS QE 4.830 . 4.830 3.388 1.933 4.481 . 0 0 "[ . 1 . 2 . ]" 1
895 2 74 ASN HB2 2 75 LYS H 4.160 . 4.160 3.552 2.532 3.948 . 0 0 "[ . 1 . 2 . ]" 1
896 2 74 ASN HB3 2 75 LYS H 4.160 . 4.160 2.945 2.452 3.779 . 0 0 "[ . 1 . 2 . ]" 1
897 2 75 LYS H 2 75 LYS HB2 3.470 . 3.470 2.430 2.095 2.648 . 0 0 "[ . 1 . 2 . ]" 1
898 2 75 LYS H 2 75 LYS HB3 3.470 . 3.470 2.573 2.325 3.088 . 0 0 "[ . 1 . 2 . ]" 1
899 2 75 LYS H 2 75 LYS QD 5.340 . 5.340 4.382 4.244 4.738 . 0 0 "[ . 1 . 2 . ]" 1
900 2 75 LYS H 2 75 LYS QG 4.920 . 4.920 3.991 3.683 4.024 . 0 0 "[ . 1 . 2 . ]" 1
901 2 75 LYS H 2 76 PHE H 3.440 . 3.440 2.724 2.588 2.874 . 0 0 "[ . 1 . 2 . ]" 1
902 2 75 LYS HA 2 75 LYS QD 4.370 . 4.370 3.876 2.303 4.271 . 0 0 "[ . 1 . 2 . ]" 1
903 2 75 LYS HA 2 75 LYS QG 3.680 . 3.680 2.515 2.347 3.151 . 0 0 "[ . 1 . 2 . ]" 1
904 2 75 LYS QB 2 76 PHE H 3.610 . 3.610 2.588 2.407 2.756 . 0 0 "[ . 1 . 2 . ]" 1
905 2 75 LYS HB2 2 76 PHE H 4.430 . 4.430 3.858 3.436 3.965 . 0 0 "[ . 1 . 2 . ]" 1
906 2 75 LYS HB3 2 76 PHE H 4.430 . 4.430 2.631 2.436 2.814 . 0 0 "[ . 1 . 2 . ]" 1
907 2 76 PHE H 2 76 PHE HB2 4.050 . 4.050 2.528 2.286 3.332 . 0 0 "[ . 1 . 2 . ]" 1
908 2 76 PHE H 2 76 PHE QB 3.400 . 3.400 2.411 2.071 2.544 . 0 0 "[ . 1 . 2 . ]" 1
909 2 76 PHE H 2 76 PHE HB3 4.050 . 4.050 3.542 2.098 3.734 . 0 0 "[ . 1 . 2 . ]" 1
910 2 76 PHE H 2 76 PHE QD 4.690 . 4.690 3.231 3.024 3.741 . 0 0 "[ . 1 . 2 . ]" 1
911 2 76 PHE H 2 77 LYS H 3.390 . 3.390 2.610 2.381 2.846 . 0 0 "[ . 1 . 2 . ]" 1
912 2 76 PHE QB 2 77 LYS H 3.980 . 3.980 3.285 2.666 3.774 . 0 0 "[ . 1 . 2 . ]" 1
913 2 76 PHE HB2 2 77 LYS H 4.630 . 4.630 3.515 2.739 4.242 . 0 0 "[ . 1 . 2 . ]" 1
914 2 76 PHE HB3 2 77 LYS H 4.630 . 4.630 4.119 3.071 4.523 . 0 0 "[ . 1 . 2 . ]" 1
915 2 77 LYS H 2 77 LYS HB2 3.630 . 3.630 2.688 2.008 3.661 0.031 17 0 "[ . 1 . 2 . ]" 1
916 2 77 LYS H 2 77 LYS HB3 3.630 . 3.630 2.786 2.386 3.631 0.001 9 0 "[ . 1 . 2 . ]" 1
917 2 77 LYS H 2 77 LYS HG2 4.620 . 4.620 3.929 2.351 4.572 . 0 0 "[ . 1 . 2 . ]" 1
918 2 77 LYS H 2 77 LYS QG 4.040 . 4.040 3.286 2.039 4.024 . 0 0 "[ . 1 . 2 . ]" 1
919 2 77 LYS H 2 77 LYS HG3 4.620 . 4.620 3.712 2.066 4.553 . 0 0 "[ . 1 . 2 . ]" 1
920 2 77 LYS H 2 78 ASN H 4.060 . 4.060 2.762 2.282 3.445 . 0 0 "[ . 1 . 2 . ]" 1
921 2 78 ASN H 2 79 MET H 4.330 . 4.330 3.239 2.192 4.205 . 0 0 "[ . 1 . 2 . ]" 1
922 2 79 MET H 2 79 MET HB2 3.850 . 3.850 2.901 2.158 3.706 . 0 0 "[ . 1 . 2 . ]" 1
923 2 79 MET H 2 79 MET QB 3.290 . 3.290 2.581 2.123 3.370 0.080 26 0 "[ . 1 . 2 . ]" 1
924 2 79 MET H 2 79 MET HB3 3.850 . 3.850 3.384 2.319 3.946 0.096 26 0 "[ . 1 . 2 . ]" 1
925 2 79 MET H 2 79 MET HG2 4.500 . 4.500 3.376 1.984 4.367 . 0 0 "[ . 1 . 2 . ]" 1
926 2 79 MET H 2 79 MET QG 3.840 . 3.840 2.643 1.955 3.910 0.070 25 0 "[ . 1 . 2 . ]" 1
927 2 79 MET H 2 79 MET HG3 4.500 . 4.500 3.013 2.177 4.413 . 0 0 "[ . 1 . 2 . ]" 1
928 2 79 MET HA 2 79 MET ME 5.500 . 5.500 4.440 3.545 5.377 . 0 0 "[ . 1 . 2 . ]" 1
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