NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
380522 |
1ih0   |
4994 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ih0
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 922
_Distance_constraint_stats_list.Viol_count 332
_Distance_constraint_stats_list.Viol_total 249.270
_Distance_constraint_stats_list.Viol_max 0.160
_Distance_constraint_stats_list.Viol_rms 0.0037
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0250
_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 1 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 2 LYS 0.012 0.012 6 0 "[ . 1 . 2 . 3]"
1 3 SER 0.005 0.005 14 0 "[ . 1 . 2 . 3]"
1 4 GLU 0.004 0.004 24 0 "[ . 1 . 2 . 3]"
1 5 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 6 GLU 0.032 0.012 6 0 "[ . 1 . 2 . 3]"
1 7 LEU 0.025 0.012 15 0 "[ . 1 . 2 . 3]"
1 8 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 9 ASP 0.020 0.011 17 0 "[ . 1 . 2 . 3]"
1 10 LEU 0.100 0.042 29 0 "[ . 1 . 2 . 3]"
1 11 PHE 0.696 0.048 14 0 "[ . 1 . 2 . 3]"
1 12 ARG 0.708 0.069 20 0 "[ . 1 . 2 . 3]"
1 13 MET 1.080 0.069 20 0 "[ . 1 . 2 . 3]"
1 14 PHE 1.073 0.060 6 0 "[ . 1 . 2 . 3]"
1 15 ASP 0.052 0.034 17 0 "[ . 1 . 2 . 3]"
1 16 LYS 0.089 0.022 23 0 "[ . 1 . 2 . 3]"
1 17 ASN 0.107 0.024 26 0 "[ . 1 . 2 . 3]"
1 18 ALA 0.059 0.059 4 0 "[ . 1 . 2 . 3]"
1 19 ASP 0.111 0.059 4 0 "[ . 1 . 2 . 3]"
1 20 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 21 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 22 ILE 0.024 0.017 20 0 "[ . 1 . 2 . 3]"
1 23 ASP 0.080 0.046 9 0 "[ . 1 . 2 . 3]"
1 24 LEU 0.208 0.075 8 0 "[ . 1 . 2 . 3]"
1 25 GLU 0.000 0.000 6 0 "[ . 1 . 2 . 3]"
1 26 GLU 0.061 0.024 26 0 "[ . 1 . 2 . 3]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 28 LYS 0.280 0.051 6 0 "[ . 1 . 2 . 3]"
1 29 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 30 MET 0.214 0.067 17 0 "[ . 1 . 2 . 3]"
1 31 LEU 0.919 0.058 2 0 "[ . 1 . 2 . 3]"
1 32 GLN 0.630 0.067 17 0 "[ . 1 . 2 . 3]"
1 33 ALA 0.070 0.043 9 0 "[ . 1 . 2 . 3]"
1 34 THR 0.428 0.058 2 0 "[ . 1 . 2 . 3]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 36 GLU 0.232 0.042 9 0 "[ . 1 . 2 . 3]"
1 37 THR 0.116 0.058 8 0 "[ . 1 . 2 . 3]"
1 38 ILE 0.357 0.044 19 0 "[ . 1 . 2 . 3]"
1 39 THR 0.001 0.001 9 0 "[ . 1 . 2 . 3]"
1 40 GLU 0.017 0.009 7 0 "[ . 1 . 2 . 3]"
1 41 ASP 0.013 0.013 30 0 "[ . 1 . 2 . 3]"
1 42 ASP 0.136 0.036 15 0 "[ . 1 . 2 . 3]"
1 43 ILE 0.129 0.031 25 0 "[ . 1 . 2 . 3]"
1 44 GLU 0.028 0.013 30 0 "[ . 1 . 2 . 3]"
1 45 GLU 0.135 0.036 15 0 "[ . 1 . 2 . 3]"
1 46 LEU 0.298 0.150 8 0 "[ . 1 . 2 . 3]"
1 47 MET 0.007 0.007 16 0 "[ . 1 . 2 . 3]"
1 48 LYS 0.023 0.013 22 0 "[ . 1 . 2 . 3]"
1 49 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 50 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 51 ASP 0.133 0.038 30 0 "[ . 1 . 2 . 3]"
1 52 LYS 0.132 0.038 30 0 "[ . 1 . 2 . 3]"
1 53 ASN 0.285 0.078 30 0 "[ . 1 . 2 . 3]"
1 54 ASN 0.288 0.078 30 0 "[ . 1 . 2 . 3]"
1 55 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 56 GLY 0.021 0.015 18 0 "[ . 1 . 2 . 3]"
1 57 ARG 0.104 0.046 9 0 "[ . 1 . 2 . 3]"
1 58 ILE 0.777 0.160 15 0 "[ . 1 . 2 . 3]"
1 59 ASP 0.002 0.002 26 0 "[ . 1 . 2 . 3]"
1 60 TYR 0.025 0.020 29 0 "[ . 1 . 2 . 3]"
1 61 ASP 0.077 0.028 13 0 "[ . 1 . 2 . 3]"
1 62 GLU 1.856 0.071 19 0 "[ . 1 . 2 . 3]"
1 63 PHE 0.290 0.037 30 0 "[ . 1 . 2 . 3]"
1 64 LEU 0.096 0.028 13 0 "[ . 1 . 2 . 3]"
1 65 GLU 0.039 0.019 21 0 "[ . 1 . 2 . 3]"
1 66 PHE 0.179 0.030 9 0 "[ . 1 . 2 . 3]"
1 67 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 68 LYS 0.330 0.030 9 0 "[ . 1 . 2 . 3]"
1 69 GLY 0.020 0.012 15 0 "[ . 1 . 2 . 3]"
1 70 VAL 0.310 0.042 29 0 "[ . 1 . 2 . 3]"
1 71 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
4 1 EMD 0.032 0.024 8 0 "[ . 1 . 2 . 3]"
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 1 GLY QA 1 2 LYS H 3.000 . 4.300 2.311 2.111 2.924 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 2 LYS H 1 2 LYS HB2 3.020 . 4.330 3.021 2.270 3.931 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 2 LYS H 1 2 LYS HB3 3.260 . 4.820 3.806 3.549 4.128 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 2 LYS H 1 2 LYS QG 3.460 . 5.210 2.739 1.886 3.876 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 2 LYS H 1 3 SER H 3.460 . 5.220 3.970 2.135 4.654 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 2 LYS HA 1 2 LYS HB2 2.980 . 4.250 2.985 2.593 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 2 LYS HA 1 2 LYS HB3 2.740 . 3.780 2.464 2.304 2.704 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 2 LYS HA 1 2 LYS QG 3.430 . 5.160 2.482 1.965 3.307 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 2 LYS HA 1 3 SER H 2.820 . 3.940 2.845 2.151 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 2 LYS HB2 1 2 LYS QG 2.480 . 3.270 2.327 2.169 2.544 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 2 LYS HB2 1 3 SER H 3.850 . 6.000 2.894 1.885 4.569 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 2 LYS HB2 1 6 GLU H 3.850 . 6.000 5.256 3.731 5.992 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 2 LYS HB3 1 2 LYS QG 2.570 . 3.440 2.379 2.166 2.546 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 2 LYS HB3 1 3 SER H 3.330 . 4.950 2.678 1.866 4.146 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 2 LYS HB3 1 6 GLU H 3.340 . 4.980 4.303 3.395 4.992 0.012 6 0 "[ . 1 . 2 . 3]" 1
16 1 2 LYS QE 1 10 LEU MD1 3.850 . 6.000 3.912 2.779 4.460 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 2 LYS QG 1 3 SER H 3.850 . 6.000 3.921 3.149 4.386 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 3 SER H 1 3 SER HB2 3.770 . 5.840 3.322 2.342 4.121 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 3 SER H 1 3 SER HB3 3.310 . 4.920 3.652 3.037 4.073 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 3 SER H 1 6 GLU HB2 3.500 . 5.290 3.219 2.063 5.006 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 3 SER H 1 6 GLU HB3 3.850 . 6.000 4.651 3.565 5.961 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 3 SER HA 1 3 SER HB3 2.730 . 3.750 2.502 2.238 2.947 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 3 SER HA 1 4 GLU H 2.640 . 3.580 2.541 2.206 2.874 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 3 SER HA 1 5 GLU H 3.230 . 4.750 4.241 4.012 4.528 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 3 SER HA 1 6 GLU H 3.670 . 5.640 4.797 4.506 5.217 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 3 SER HA 1 7 LEU H 3.690 . 5.670 5.160 3.898 5.675 0.005 14 0 "[ . 1 . 2 . 3]" 1
27 1 3 SER HB2 1 4 GLU H 3.010 . 4.320 2.949 1.913 4.017 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 3 SER HB2 1 5 GLU H 3.120 . 4.540 2.965 2.181 4.039 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 3 SER HB2 1 6 GLU H 3.230 . 4.750 4.091 2.944 4.699 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 3 SER HB3 1 4 GLU H 3.430 . 5.160 2.764 1.858 4.235 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 4 GLU H 1 4 GLU QB 2.650 . 3.590 2.313 2.082 2.657 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 4 GLU H 1 4 GLU QG 3.500 . 5.300 3.015 1.869 3.985 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 4 GLU H 1 5 GLU H 3.010 . 4.320 2.762 2.511 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 4 GLU H 1 6 GLU H 3.560 . 5.410 4.536 4.218 5.314 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 4 GLU H 1 7 LEU MD1 3.850 . 6.000 4.418 3.410 5.037 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 4 GLU HA 1 4 GLU QG 3.480 . 5.260 2.257 1.908 3.293 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 4 GLU HA 1 5 GLU H 3.270 . 4.830 3.487 3.387 3.566 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 4 GLU HA 1 6 GLU H 3.600 . 5.500 4.241 3.654 5.211 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 4 GLU HA 1 7 LEU H 3.200 . 4.700 3.215 2.818 3.672 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 4 GLU HA 1 7 LEU HB2 3.350 . 5.000 2.174 1.844 2.539 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 4 GLU HA 1 7 LEU HB3 2.810 . 3.920 3.507 2.587 3.912 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 4 GLU HA 1 7 LEU MD1 3.500 . 5.290 2.723 2.178 4.059 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 4 GLU QB 1 5 GLU H 3.300 . 4.900 2.843 2.327 3.346 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 4 GLU QG 1 64 LEU QD 3.850 . 6.000 2.572 1.696 3.693 0.004 24 0 "[ . 1 . 2 . 3]" 1
45 1 5 GLU H 1 5 GLU HA 2.830 . 3.970 2.785 2.721 2.883 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 5 GLU H 1 5 GLU QB 3.220 . 4.740 2.272 2.059 2.739 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 5 GLU H 1 5 GLU QG 3.850 . 6.000 3.235 1.902 4.066 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 5 GLU H 1 6 GLU H 2.670 . 3.640 2.808 2.409 3.274 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 5 GLU HA 1 5 GLU QG 3.290 . 4.880 2.380 1.896 3.302 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 5 GLU HA 1 6 GLU H 3.280 . 4.860 3.536 3.474 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 5 GLU QB 1 6 GLU H 3.790 . 5.870 2.614 1.851 3.422 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 6 GLU H 1 6 GLU HA 2.820 . 3.940 2.884 2.793 2.922 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 6 GLU H 1 6 GLU HB2 2.890 . 4.080 2.236 2.090 2.683 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 6 GLU H 1 6 GLU HB3 2.750 . 3.790 3.438 3.229 3.644 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 6 GLU H 1 6 GLU QG 3.330 . 4.960 3.206 1.883 3.915 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 6 GLU H 1 7 LEU H 2.560 . 3.430 2.470 2.249 2.809 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 6 GLU HA 1 6 GLU HB2 2.970 . 4.240 2.947 2.850 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 6 GLU HA 1 6 GLU HB3 2.740 . 3.780 2.694 2.384 2.855 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 6 GLU HA 1 6 GLU QG 3.300 . 4.900 2.232 1.891 3.045 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 6 GLU HA 1 7 LEU H 3.250 . 4.800 3.527 3.378 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 6 GLU HA 1 9 ASP H 2.980 . 4.260 3.526 3.318 3.815 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 6 GLU HA 1 9 ASP HB2 3.130 . 4.560 3.393 2.646 4.093 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 6 GLU HA 1 9 ASP HB3 3.560 . 5.420 4.944 4.144 5.431 0.011 17 0 "[ . 1 . 2 . 3]" 1
64 1 7 LEU H 1 7 LEU HA 2.890 . 4.080 2.747 2.680 2.864 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 7 LEU H 1 7 LEU HB2 2.980 . 4.260 2.295 2.074 2.837 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 7 LEU H 1 7 LEU HB3 2.660 . 3.620 3.462 3.318 3.614 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 7 LEU H 1 7 LEU MD1 3.580 . 5.460 3.745 3.291 4.149 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 7 LEU H 1 7 LEU MD2 3.850 . 6.000 3.499 2.080 4.408 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 7 LEU H 1 7 LEU HG 2.850 . 4.000 3.050 1.875 3.962 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 7 LEU H 1 8 SER H 3.040 . 4.370 2.897 2.532 3.193 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 7 LEU H 1 8 SER QB 3.850 . 6.000 4.857 4.350 5.354 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 7 LEU H 1 10 LEU QB 3.500 . 5.290 4.650 4.380 4.749 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 7 LEU HA 1 7 LEU HB2 2.730 . 3.770 2.923 2.848 3.028 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 7 LEU HA 1 7 LEU HB3 2.980 . 4.250 2.707 2.390 2.854 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 7 LEU HA 1 7 LEU MD1 3.850 . 6.000 3.492 2.205 3.710 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 7 LEU HA 1 7 LEU HG 3.010 . 4.320 2.653 1.940 3.525 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 7 LEU HA 1 8 SER H 3.790 . 5.870 3.551 3.510 3.574 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 7 LEU HA 1 10 LEU H 2.980 . 4.250 3.118 2.850 3.523 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 7 LEU HA 1 10 LEU QB 2.850 . 4.000 2.195 1.952 2.398 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 7 LEU HA 1 10 LEU MD1 3.790 . 5.880 2.759 1.920 3.452 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 7 LEU HB2 1 7 LEU MD1 3.200 . 4.700 2.382 1.956 3.165 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 7 LEU HB2 1 8 SER H 3.490 . 5.280 2.858 2.387 3.249 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 7 LEU HB2 1 69 GLY H 3.850 . 6.000 5.048 3.995 6.012 0.012 15 0 "[ . 1 . 2 . 3]" 1
84 1 7 LEU HB3 1 7 LEU MD1 3.250 . 4.790 2.409 2.125 2.803 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 7 LEU HB3 1 7 LEU MD2 3.470 . 5.240 2.354 1.920 3.183 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 7 LEU HB3 1 7 LEU HG 2.730 . 3.770 2.964 2.579 3.032 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 7 LEU HB3 1 8 SER H 3.110 . 4.520 3.078 2.376 3.819 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 7 LEU HB3 1 64 LEU QD 3.580 . 5.460 2.635 2.095 3.031 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 7 LEU MD1 1 64 LEU HA 3.850 . 6.000 2.610 1.835 3.628 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 7 LEU MD1 1 67 MET QG 3.850 . 6.000 4.276 3.803 4.462 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 7 LEU MD2 1 10 LEU H 3.850 . 6.000 4.296 3.459 4.919 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 7 LEU HG 1 8 SER H 3.850 . 6.000 4.649 3.849 5.192 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 8 SER H 1 8 SER QB 3.040 . 4.380 2.469 2.095 2.932 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 8 SER H 1 9 ASP H 2.850 . 4.000 2.869 2.720 3.043 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 8 SER H 1 10 LEU H 3.850 . 6.000 4.404 3.947 4.637 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 8 SER H 1 60 TYR QE 3.850 . 6.000 4.857 4.058 5.329 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 8 SER H 1 64 LEU QD 3.850 . 6.000 4.577 4.148 4.847 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 8 SER HA 1 8 SER QB 2.560 . 3.420 2.303 2.164 2.529 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 8 SER HA 1 11 PHE H 3.290 . 4.880 3.917 3.487 4.536 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 8 SER HA 1 11 PHE HB3 3.250 . 4.790 3.704 3.064 4.323 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 8 SER HA 1 12 ARG H 3.330 . 4.960 4.645 4.081 4.954 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 8 SER HA 1 60 TYR QE 3.560 . 5.420 3.194 2.419 4.316 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 8 SER QB 1 9 ASP H 3.440 . 5.170 2.867 2.282 3.524 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 8 SER QB 1 60 TYR QE 3.850 . 6.000 4.262 3.601 4.763 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 9 ASP H 1 9 ASP HA 2.750 . 3.790 2.867 2.773 2.931 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 9 ASP H 1 9 ASP HB2 2.730 . 3.750 2.308 2.089 2.721 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 9 ASP H 1 9 ASP HB3 2.940 . 4.170 3.505 3.256 3.642 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 9 ASP H 1 10 LEU H 2.600 . 3.500 2.587 2.352 2.938 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 9 ASP HA 1 9 ASP HB2 2.730 . 3.750 2.978 2.863 3.031 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 9 ASP HA 1 10 LEU H 3.250 . 4.790 3.551 3.465 3.570 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 9 ASP HA 1 11 PHE H 3.630 . 5.560 4.320 3.798 5.045 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 9 ASP HA 1 12 ARG H 3.040 . 4.380 3.439 3.066 4.130 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 9 ASP HA 1 12 ARG QB 3.000 . 4.300 2.896 2.154 3.850 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 9 ASP HB2 1 10 LEU H 2.790 . 3.880 2.622 2.209 3.392 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 9 ASP HB3 1 10 LEU H 2.940 . 4.180 3.211 2.582 3.723 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 10 LEU H 1 10 LEU HA 2.690 . 3.680 2.751 2.719 2.891 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 10 LEU H 1 10 LEU QB 2.850 . 4.000 2.135 2.061 2.299 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 10 LEU H 1 10 LEU MD1 3.850 . 6.000 3.692 3.107 4.129 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 10 LEU H 1 10 LEU HG 3.500 . 5.290 3.267 2.573 3.810 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 10 LEU H 1 11 PHE H 2.680 . 3.660 2.892 2.544 3.246 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 10 LEU H 1 11 PHE HB3 3.850 . 6.000 5.336 4.804 5.567 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 10 LEU H 1 12 ARG H 3.500 . 5.300 4.487 3.518 5.054 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 10 LEU H 1 13 MET QG 3.850 . 6.000 4.918 3.594 5.396 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 10 LEU HA 1 10 LEU MD1 3.230 . 4.760 3.639 3.422 3.737 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 10 LEU HA 1 10 LEU MD2 3.750 . 5.800 2.353 1.854 2.992 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 10 LEU HA 1 10 LEU HG 3.680 . 5.660 2.252 1.949 2.573 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 10 LEU HA 1 11 PHE H 3.200 . 4.700 3.539 3.476 3.575 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 10 LEU HA 1 12 ARG H 3.700 . 5.700 4.703 3.912 5.334 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 10 LEU HA 1 13 MET H 3.310 . 4.920 3.605 3.135 4.114 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 10 LEU HA 1 13 MET HB2 3.220 . 4.740 3.107 2.029 4.740 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 10 LEU QB 1 70 VAL H 3.390 . 5.080 4.465 4.073 4.544 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 10 LEU MD1 1 70 VAL H 2.790 . 4.310 2.120 1.834 2.361 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 10 LEU MD2 1 11 PHE H 3.850 . 6.000 4.272 3.751 4.684 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 10 LEU MD2 1 14 PHE H 3.850 . 6.000 4.438 3.474 4.898 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 10 LEU MD2 1 63 PHE HZ 3.600 . 5.500 2.560 1.874 3.934 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 10 LEU MD2 1 67 MET ME 3.730 . 5.760 2.453 1.723 3.964 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 10 LEU HG 1 70 VAL H 3.310 . 4.910 4.838 4.603 4.952 0.042 29 0 "[ . 1 . 2 . 3]" 1
138 1 11 PHE H 1 11 PHE HB2 2.730 . 3.750 2.344 2.197 2.497 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 11 PHE H 1 11 PHE HB3 2.830 . 3.950 2.811 2.611 3.010 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 11 PHE H 1 12 ARG H 2.720 . 3.740 2.822 2.505 3.324 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 11 PHE H 1 12 ARG HA 3.750 . 5.790 5.391 5.159 5.735 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 11 PHE H 1 14 PHE HB3 3.850 . 6.000 6.009 5.891 6.048 0.048 14 0 "[ . 1 . 2 . 3]" 1
143 1 11 PHE HA 1 11 PHE HB2 2.730 . 3.760 2.586 2.480 2.680 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 11 PHE HA 1 12 ARG H 3.660 . 5.620 3.554 3.438 3.583 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 11 PHE HA 1 14 PHE H 3.050 . 4.400 3.686 3.418 4.014 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 11 PHE HA 1 15 ASP H 3.430 . 5.160 4.192 3.733 4.822 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 11 PHE HA 1 22 ILE MD 3.390 . 5.080 2.899 2.434 3.872 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 11 PHE HA 1 63 PHE QD 2.780 . 4.300 3.697 3.274 3.868 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 11 PHE HB2 1 12 ARG H 3.270 . 4.830 3.551 3.258 3.970 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 11 PHE HB3 1 12 ARG H 2.880 . 4.050 2.322 1.858 3.016 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 11 PHE QD 1 63 PHE QD 3.060 . 4.730 2.662 1.980 3.557 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 11 PHE HD1 1 22 ILE MD 2.900 . 4.100 3.196 2.230 3.423 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 11 PHE HD2 1 63 PHE HB3 3.160 . 4.620 2.740 1.948 4.629 0.009 22 0 "[ . 1 . 2 . 3]" 1
154 1 11 PHE QE 1 20 GLY H 3.850 . 6.000 3.667 2.724 5.060 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 11 PHE QE 1 20 GLY QA 3.510 . 5.320 2.765 2.062 3.536 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 11 PHE QE 1 21 TYR H 3.780 . 5.860 3.449 2.909 4.691 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 11 PHE QE 1 21 TYR HA 3.850 . 6.000 3.248 2.752 3.915 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 11 PHE QE 1 22 ILE H 3.850 . 6.000 3.560 2.335 4.122 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 11 PHE QE 1 22 ILE MD 3.850 . 6.000 2.736 1.755 3.091 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 11 PHE QE 1 58 ILE MG 3.850 . 6.000 3.536 2.608 4.434 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 11 PHE QE 1 60 TYR H 3.850 . 6.000 3.272 2.212 3.993 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 11 PHE QE 1 60 TYR HA 3.430 . 5.160 2.480 1.874 2.996 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 11 PHE QE 1 61 ASP H 3.850 . 6.000 5.021 4.417 5.359 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 11 PHE QE 1 63 PHE HB3 3.770 . 5.840 3.048 2.248 3.784 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 11 PHE HZ 1 20 GLY QA 3.100 . 4.500 3.834 3.405 4.027 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 11 PHE HZ 1 21 TYR H 3.390 . 5.080 4.238 3.961 4.682 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 11 PHE HZ 1 22 ILE H 3.850 . 6.000 3.186 2.544 4.000 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 11 PHE HZ 1 22 ILE MD 2.950 . 4.200 3.189 2.755 3.499 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 11 PHE HZ 1 59 ASP HA 3.180 . 4.660 3.220 2.708 3.770 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 11 PHE HZ 1 60 TYR H 3.150 . 4.600 4.172 3.334 4.620 0.020 29 0 "[ . 1 . 2 . 3]" 1
171 1 12 ARG H 1 12 ARG HA 2.850 . 4.000 2.841 2.776 2.895 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 12 ARG H 1 12 ARG QB 2.830 . 3.960 2.290 2.244 2.481 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 12 ARG H 1 12 ARG QG 3.370 . 5.040 3.739 2.157 4.009 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 12 ARG H 1 13 MET HB3 3.430 . 5.160 5.167 4.903 5.229 0.069 20 0 "[ . 1 . 2 . 3]" 1
175 1 12 ARG H 1 14 PHE H 3.470 . 5.240 3.937 3.699 4.394 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 12 ARG HA 1 12 ARG QG 2.880 . 4.060 2.546 2.271 3.385 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 12 ARG HA 1 14 PHE H 3.050 . 4.400 3.886 3.538 4.409 0.009 2 0 "[ . 1 . 2 . 3]" 1
178 1 12 ARG HA 1 15 ASP H 2.700 . 3.700 3.097 2.741 3.594 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 12 ARG HA 1 15 ASP QB 2.940 . 4.180 2.450 1.874 2.894 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 12 ARG QB 1 12 ARG QD 3.310 . 4.920 2.146 1.880 2.467 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 12 ARG QG 1 14 PHE H 3.480 . 5.260 4.587 4.116 4.701 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 13 MET H 1 13 MET HA 2.970 . 4.240 2.779 2.725 2.863 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 13 MET H 1 13 MET HB2 2.890 . 4.080 2.634 2.122 3.623 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 13 MET H 1 13 MET HB3 2.870 . 4.040 2.824 2.494 3.101 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 13 MET H 1 13 MET QG 3.500 . 5.290 3.339 1.849 4.062 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 13 MET H 1 14 PHE H 2.970 . 4.240 2.689 2.434 2.858 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 13 MET HA 1 13 MET HB3 2.770 . 3.830 2.815 2.393 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 13 MET HB2 1 14 PHE H 2.710 . 3.720 3.701 3.507 3.780 0.060 6 0 "[ . 1 . 2 . 3]" 1
189 1 13 MET HB3 1 14 PHE H 3.060 . 4.410 3.226 2.424 4.076 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 13 MET QG 1 14 PHE H 3.370 . 5.040 3.609 1.840 4.529 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 14 PHE H 1 14 PHE HA 2.810 . 3.920 2.906 2.839 2.949 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 14 PHE H 1 14 PHE HB2 2.450 . 3.200 2.332 2.103 2.610 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 14 PHE H 1 14 PHE HB3 2.770 . 3.850 2.946 2.794 3.159 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 14 PHE H 1 15 ASP H 2.420 . 3.140 2.382 2.069 2.647 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 14 PHE H 1 15 ASP QB 3.330 . 4.960 4.123 3.792 4.400 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 14 PHE H 1 22 ILE MD 3.410 . 5.120 4.140 3.855 4.277 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 14 PHE HA 1 14 PHE HB2 2.910 . 4.120 2.704 2.625 2.814 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 14 PHE HA 1 14 PHE HB3 2.750 . 3.810 2.963 2.887 3.000 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 14 PHE HA 1 15 ASP H 3.140 . 4.580 3.539 3.481 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 14 PHE HA 1 16 LYS H 3.680 . 5.660 5.152 4.037 5.675 0.015 8 0 "[ . 1 . 2 . 3]" 1
201 1 14 PHE HA 1 16 LYS QD 3.790 . 5.870 4.959 3.861 5.266 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 14 PHE HA 1 16 LYS QG 3.380 . 5.060 4.141 3.633 4.525 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 14 PHE HB2 1 15 ASP H 2.750 . 3.800 3.428 2.997 3.720 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 14 PHE HB2 1 22 ILE MD 3.090 . 4.480 3.187 2.727 3.702 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 14 PHE HB2 1 22 ILE QG 2.940 . 4.180 3.699 3.559 3.761 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 14 PHE HB3 1 15 ASP H 3.040 . 4.370 2.594 2.206 2.988 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 14 PHE HB3 1 22 ILE MD 3.080 . 4.460 2.160 1.833 2.563 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 14 PHE HB3 1 22 ILE QG 2.820 . 3.940 2.184 1.970 2.719 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 14 PHE HB3 1 22 ILE MG 3.710 . 5.720 3.575 3.086 4.014 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 14 PHE QD 1 30 MET HB2 3.220 . 4.980 4.192 3.714 4.454 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 14 PHE QE 1 30 MET HB2 3.340 . 5.170 2.796 1.953 3.738 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 15 ASP H 1 15 ASP HA 2.700 . 3.700 2.845 2.730 2.894 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 15 ASP H 1 15 ASP QB 2.610 . 3.520 2.161 2.059 2.301 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 15 ASP H 1 22 ILE MD 3.810 . 5.920 3.344 2.411 3.976 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 15 ASP H 1 22 ILE QG 3.620 . 5.540 3.455 2.675 4.667 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 15 ASP HA 1 16 LYS H 2.460 . 3.230 2.195 2.132 2.484 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 15 ASP HA 1 17 ASN H 3.330 . 4.960 3.329 2.948 3.616 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 15 ASP HA 1 19 ASP H 3.850 . 6.000 5.281 4.665 6.034 0.034 17 0 "[ . 1 . 2 . 3]" 1
219 1 15 ASP HA 1 23 ASP H 3.850 . 6.000 5.105 4.287 5.661 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 15 ASP QB 1 16 LYS H 3.410 . 5.120 3.807 3.370 4.009 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 15 ASP QB 1 17 ASN H 3.530 . 5.360 3.626 2.786 4.326 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 15 ASP QB 1 18 ALA H 3.850 . 6.000 3.278 2.208 4.642 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 15 ASP QB 1 20 GLY H 3.790 . 5.880 3.779 2.938 4.157 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 16 LYS H 1 16 LYS HA 2.920 . 4.130 2.933 2.843 2.962 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 16 LYS H 1 16 LYS QB 2.950 . 4.200 2.597 2.119 3.207 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 16 LYS H 1 16 LYS QD 3.690 . 5.680 3.789 1.840 4.663 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 16 LYS H 1 16 LYS QG 3.150 . 4.600 2.565 1.820 3.375 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 16 LYS H 1 17 ASN H 2.770 . 3.850 2.413 1.880 2.956 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 16 LYS H 1 17 ASN HB3 3.300 . 4.900 4.410 3.667 4.922 0.022 23 0 "[ . 1 . 2 . 3]" 1
230 1 16 LYS H 1 18 ALA H 3.600 . 5.500 4.016 3.427 4.727 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 16 LYS H 1 26 GLU HB3 2.870 . 4.040 3.596 2.750 4.049 0.009 9 0 "[ . 1 . 2 . 3]" 1
232 1 16 LYS HA 1 16 LYS QD 3.260 . 4.820 3.369 1.858 4.338 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 16 LYS HA 1 16 LYS QG 3.420 . 5.130 2.694 2.055 3.289 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 16 LYS HA 1 17 ASN H 3.250 . 4.790 3.178 2.858 3.440 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 16 LYS QB 1 17 ASN H 3.310 . 4.920 3.586 3.027 4.014 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 16 LYS QB 1 18 ALA H 3.850 . 6.000 4.963 4.590 5.347 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 16 LYS QE 1 17 ASN HA 3.850 . 6.000 5.060 3.441 5.384 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 16 LYS QE 1 29 ILE MD 3.850 . 6.000 3.379 1.784 4.382 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 16 LYS QE 1 29 ILE MG 3.850 . 6.000 3.382 2.456 4.267 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 17 ASN H 1 17 ASN HB2 3.250 . 4.790 3.588 3.061 3.936 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 17 ASN H 1 17 ASN HB3 2.880 . 4.060 2.906 2.470 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 17 ASN H 1 18 ALA MB 3.850 . 6.000 4.267 3.840 4.545 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 17 ASN H 1 26 GLU HB3 3.760 . 5.820 5.555 4.799 5.844 0.024 26 0 "[ . 1 . 2 . 3]" 1
244 1 17 ASN HA 1 17 ASN HB2 2.730 . 3.750 2.433 2.325 2.795 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 17 ASN HA 1 17 ASN HB3 2.750 . 3.810 2.655 2.248 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 17 ASN HA 1 18 ALA H 3.850 . 6.000 3.368 3.063 3.548 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 17 ASN HB2 1 17 ASN HD21 3.100 . 4.500 3.220 2.425 3.615 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 17 ASN HB2 1 17 ASN HD22 3.830 . 5.960 3.929 3.575 4.118 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 17 ASN HB3 1 17 ASN HD22 3.850 . 6.000 3.611 3.504 4.116 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 18 ALA H 1 18 ALA HA 2.440 . 3.190 2.370 2.298 2.953 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 18 ALA H 1 18 ALA MB 3.270 . 4.830 2.842 2.309 3.031 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 18 ALA H 1 19 ASP H 3.020 . 4.340 3.132 2.395 4.399 0.059 4 0 "[ . 1 . 2 . 3]" 1
253 1 18 ALA H 1 20 GLY H 3.700 . 5.700 4.558 3.648 5.456 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 18 ALA HA 1 19 ASP H 2.480 . 3.270 2.534 2.169 2.893 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 18 ALA MB 1 19 ASP H 3.850 . 6.000 3.481 1.900 3.721 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 18 ALA MB 1 20 GLY H 3.850 . 6.000 4.671 2.953 5.061 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 19 ASP H 1 19 ASP HA 2.690 . 3.680 2.942 2.896 2.963 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 19 ASP H 1 19 ASP HB2 3.250 . 4.800 3.823 3.710 3.978 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 19 ASP H 1 19 ASP HB3 3.120 . 4.540 3.238 2.907 3.731 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 19 ASP H 1 20 GLY H 2.480 . 3.250 1.958 1.807 3.209 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 19 ASP H 1 20 GLY QA 3.700 . 5.700 3.813 3.545 4.168 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 19 ASP H 1 21 TYR H 3.070 . 4.440 3.440 3.045 3.936 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 19 ASP HA 1 19 ASP HB2 2.730 . 3.750 2.481 2.383 2.673 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 19 ASP HA 1 20 GLY H 3.070 . 4.440 3.367 2.368 3.536 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 19 ASP HB2 1 20 GLY H 3.600 . 5.500 3.949 3.398 4.405 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 19 ASP HB3 1 20 GLY H 3.500 . 5.290 4.144 3.890 4.665 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 20 GLY H 1 20 GLY QA 2.430 . 3.160 2.312 2.217 2.504 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 20 GLY H 1 21 TYR H 2.410 . 3.120 2.201 1.851 2.626 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 20 GLY QA 1 21 TYR H 2.890 . 4.080 2.892 2.787 2.930 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 21 TYR H 1 21 TYR HA 3.000 . 4.300 2.926 2.900 2.961 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 21 TYR H 1 21 TYR HB2 2.850 . 4.000 2.818 2.605 3.007 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 21 TYR H 1 21 TYR HB3 3.040 . 4.380 3.873 3.738 3.985 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 21 TYR H 1 21 TYR QD 2.880 . 4.050 3.123 2.702 3.593 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 21 TYR H 1 21 TYR QE 3.850 . 6.000 5.150 4.835 5.349 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 21 TYR H 1 22 ILE H 3.470 . 5.240 4.042 3.592 4.360 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 21 TYR HA 1 21 TYR HB2 3.000 . 4.290 3.023 3.005 3.030 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 21 TYR HA 1 21 TYR HB3 2.730 . 3.770 2.515 2.423 2.605 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 21 TYR HA 1 21 TYR QD 3.290 . 4.880 2.902 2.022 3.080 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 21 TYR HA 1 22 ILE H 2.690 . 3.670 2.177 2.138 2.262 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 21 TYR HB2 1 21 TYR QD 2.860 . 4.020 2.452 2.320 2.597 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 21 TYR HB2 1 22 ILE H 3.450 . 5.200 4.312 3.994 4.559 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 21 TYR HB2 1 57 ARG QD 2.690 . 3.680 3.089 2.475 3.297 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 21 TYR HB3 1 21 TYR QD 2.890 . 4.080 2.394 2.304 2.736 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 21 TYR HB3 1 22 ILE H 3.620 . 5.540 3.465 2.806 4.015 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 21 TYR QD 1 22 ILE H 3.850 . 6.000 4.244 3.770 4.727 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 21 TYR QD 1 57 ARG HB2 3.590 . 5.480 3.600 2.732 4.911 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 21 TYR QD 1 57 ARG HB3 3.560 . 5.420 4.542 3.039 4.837 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 21 TYR QD 1 57 ARG QD 3.660 . 5.620 2.729 1.892 4.314 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 21 TYR QD 1 58 ILE H 3.850 . 6.000 3.777 3.334 4.369 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 21 TYR QD 1 59 ASP HA 3.390 . 5.080 2.937 1.993 3.658 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 21 TYR QD 1 59 ASP HB3 3.530 . 5.360 4.187 2.868 4.781 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 21 TYR QE 1 59 ASP H 3.850 . 6.000 5.095 4.510 5.362 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 21 TYR QE 1 59 ASP HB3 3.520 . 5.330 3.117 2.016 4.314 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 22 ILE H 1 22 ILE HB 3.190 . 4.680 2.433 2.315 2.709 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 22 ILE H 1 22 ILE MD 3.850 . 6.000 2.525 2.065 2.997 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 22 ILE H 1 22 ILE QG 3.660 . 5.620 2.813 2.034 3.301 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 22 ILE H 1 22 ILE MG 3.850 . 6.000 3.742 3.702 3.806 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 22 ILE H 1 57 ARG HB3 3.850 . 6.000 5.433 4.118 6.017 0.017 20 0 "[ . 1 . 2 . 3]" 1
299 1 22 ILE H 1 58 ILE H 3.410 . 5.120 3.041 2.276 3.889 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 22 ILE H 1 58 ILE HB 3.330 . 4.950 2.733 1.852 3.770 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 22 ILE H 1 58 ILE MG 3.850 . 6.000 4.121 2.998 4.735 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 22 ILE HA 1 22 ILE MD 3.100 . 4.500 3.421 1.907 3.680 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 22 ILE HA 1 22 ILE QG 2.650 . 3.590 2.293 2.116 3.174 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 22 ILE HA 1 22 ILE MG 3.310 . 4.920 2.436 2.226 2.517 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 22 ILE HA 1 23 ASP H 2.870 . 4.040 2.199 2.131 2.346 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 22 ILE HB 1 22 ILE MD 2.800 . 3.900 2.146 1.866 3.180 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 22 ILE HB 1 23 ASP H 3.850 . 6.000 4.086 3.803 4.275 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 22 ILE HB 1 58 ILE H 3.710 . 5.720 3.567 3.067 3.915 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 22 ILE HB 1 58 ILE HB 2.330 . 2.960 2.280 1.863 2.939 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 22 ILE HB 1 58 ILE MD 3.460 . 5.210 3.945 3.394 4.352 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 22 ILE MD 1 22 ILE MG 2.890 . 4.080 2.743 2.064 2.860 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 22 ILE MD 1 23 ASP H 3.850 . 6.000 4.880 3.663 5.056 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 22 ILE MD 1 58 ILE H 3.850 . 6.000 4.569 4.039 5.005 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 22 ILE MD 1 58 ILE MG 3.460 . 5.220 3.196 2.394 3.637 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 22 ILE QG 1 22 ILE MG 3.120 . 4.540 2.023 1.862 2.215 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 22 ILE QG 1 23 ASP H 3.850 . 6.000 3.933 3.615 4.836 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 22 ILE MG 1 23 ASP H 3.790 . 5.880 2.233 1.835 2.824 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 22 ILE MG 1 24 LEU HA 3.540 . 5.370 4.446 4.283 4.522 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 22 ILE MG 1 26 GLU H 3.850 . 6.000 4.045 3.621 4.501 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 22 ILE MG 1 26 GLU HB2 3.350 . 5.000 2.449 1.870 3.190 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 22 ILE MG 1 27 LEU H 3.080 . 4.460 3.504 3.104 3.729 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 22 ILE MG 1 58 ILE H 3.850 . 6.000 4.258 3.715 4.990 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 23 ASP H 1 23 ASP HB2 3.580 . 5.460 3.689 3.414 3.848 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 23 ASP H 1 23 ASP HB3 3.530 . 5.360 3.323 2.979 3.700 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 23 ASP H 1 24 LEU H 3.620 . 5.540 4.428 4.189 4.496 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 23 ASP H 1 26 GLU HA 3.850 . 6.000 5.310 4.848 5.931 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 23 ASP H 1 26 GLU HB3 3.330 . 4.950 4.120 3.432 4.892 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 23 ASP H 1 57 ARG HB2 3.850 . 6.000 5.650 4.967 6.046 0.046 9 0 "[ . 1 . 2 . 3]" 1
329 1 23 ASP HA 1 24 LEU H 2.540 . 3.370 2.489 2.210 2.906 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 23 ASP HB2 1 25 GLU H 3.120 . 4.540 2.745 2.198 3.715 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 23 ASP HB3 1 24 LEU H 3.090 . 4.480 3.484 2.908 4.011 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 23 ASP HB3 1 25 GLU H 3.850 . 6.000 4.343 3.952 4.810 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 24 LEU H 1 24 LEU HA 2.890 . 4.080 2.799 2.702 2.903 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 24 LEU H 1 24 LEU HB2 2.610 . 3.520 2.358 2.120 2.698 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 24 LEU H 1 24 LEU HB3 2.610 . 3.530 3.018 2.443 3.605 0.075 8 0 "[ . 1 . 2 . 3]" 1
336 1 24 LEU H 1 24 LEU MD1 3.850 . 6.000 3.417 1.883 4.096 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 24 LEU H 1 24 LEU HG 3.280 . 4.860 4.007 2.514 4.537 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 24 LEU H 1 25 GLU H 2.570 . 3.440 2.724 2.328 3.003 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 24 LEU H 1 47 MET ME 3.390 . 5.080 2.720 1.877 4.231 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 24 LEU HA 1 24 LEU HB2 2.810 . 3.910 2.702 2.406 3.028 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 24 LEU HA 1 24 LEU HB3 2.740 . 3.780 2.886 2.500 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 24 LEU HA 1 24 LEU MD1 3.040 . 4.380 2.519 1.807 3.707 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 24 LEU HA 1 24 LEU MD2 3.850 . 6.000 3.474 2.017 3.891 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 24 LEU HA 1 24 LEU HG 3.220 . 4.740 2.537 1.903 3.298 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 24 LEU HA 1 25 GLU H 3.060 . 4.420 3.517 3.336 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 24 LEU HA 1 27 LEU H 3.850 . 6.000 3.129 2.865 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 24 LEU HA 1 27 LEU HB2 3.190 . 4.680 2.072 1.862 2.694 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 24 LEU HA 1 27 LEU MD2 3.850 . 6.000 3.874 3.139 4.477 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 24 LEU HB2 1 25 GLU H 2.960 . 4.220 3.439 2.417 4.169 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 24 LEU HB3 1 25 GLU H 2.950 . 4.200 2.910 2.298 3.667 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 24 LEU MD1 1 25 GLU H 3.850 . 6.000 4.468 3.551 4.947 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 24 LEU MD1 1 28 LYS QE 3.850 . 6.000 3.841 2.444 4.395 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 24 LEU MD1 1 47 MET QB 3.490 . 5.280 2.717 1.788 3.860 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 24 LEU MD1 1 47 MET ME 3.850 . 6.000 2.662 1.768 3.823 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 24 LEU MD1 1 47 MET QG 3.700 . 5.700 2.531 1.709 4.092 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 24 LEU MD2 1 28 LYS QE 3.850 . 6.000 2.590 1.777 4.359 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 24 LEU MD2 1 44 GLU QG 3.850 . 6.000 3.533 2.544 4.446 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 24 LEU MD2 1 47 MET QB 3.730 . 5.760 3.664 2.198 4.279 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 24 LEU MD2 1 47 MET ME 3.850 . 6.000 3.845 3.325 4.162 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 24 LEU HG 1 27 LEU HB3 3.440 . 5.170 4.261 3.425 5.075 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 24 LEU HG 1 28 LYS QE 3.750 . 5.790 3.360 2.040 5.141 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 25 GLU H 1 25 GLU HA 2.850 . 4.000 2.782 2.697 2.912 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 25 GLU H 1 25 GLU HB2 2.770 . 3.850 2.386 2.113 2.772 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 25 GLU H 1 25 GLU HB3 2.810 . 3.930 3.556 3.382 3.645 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 25 GLU H 1 26 GLU H 2.480 . 3.260 2.797 2.540 3.176 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 25 GLU H 1 27 LEU H 3.500 . 5.290 4.059 3.606 4.562 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 25 GLU HA 1 25 GLU HB2 2.810 . 3.930 2.990 2.848 3.031 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 25 GLU HA 1 25 GLU HB3 2.720 . 3.740 2.591 2.351 2.851 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 25 GLU HA 1 28 LYS H 3.480 . 5.260 4.222 3.568 4.888 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 25 GLU HA 1 28 LYS QB 3.270 . 4.830 3.772 2.964 4.332 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 25 GLU HB2 1 26 GLU H 3.230 . 4.750 2.811 2.051 3.720 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 25 GLU HB3 1 26 GLU H 3.080 . 4.460 3.474 2.849 4.460 0.000 6 0 "[ . 1 . 2 . 3]" 1
373 1 25 GLU HB3 1 29 ILE MD 3.850 . 6.000 3.891 2.097 5.013 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 26 GLU H 1 26 GLU HA 2.950 . 4.200 2.885 2.757 2.957 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 26 GLU H 1 27 LEU H 2.560 . 3.420 2.397 2.029 2.801 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 26 GLU HA 1 26 GLU HB2 2.750 . 3.810 3.014 2.958 3.030 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 26 GLU HA 1 26 GLU HB3 2.730 . 3.750 2.494 2.325 2.711 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 26 GLU HA 1 27 LEU H 3.080 . 4.460 3.505 3.428 3.563 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 26 GLU HA 1 29 ILE H 3.500 . 5.290 3.614 3.094 4.295 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 26 GLU HA 1 29 ILE MD 3.710 . 5.710 2.444 1.869 3.383 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 26 GLU HB2 1 27 LEU H 2.770 . 3.850 2.788 2.331 3.134 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 26 GLU HB3 1 27 LEU H 2.950 . 4.200 3.730 3.036 4.189 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 26 GLU HB3 1 29 ILE MD 3.850 . 6.000 4.293 2.822 5.014 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 27 LEU H 1 27 LEU HB2 2.750 . 3.790 2.123 2.083 2.225 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 27 LEU H 1 27 LEU HB3 2.730 . 3.770 3.374 3.251 3.525 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 27 LEU H 1 27 LEU HG 3.390 . 5.080 3.731 3.331 4.128 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 27 LEU H 1 28 LYS H 2.660 . 3.620 2.920 2.542 3.182 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 27 LEU HA 1 27 LEU HB2 2.810 . 3.910 2.890 2.848 2.967 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 27 LEU HA 1 27 LEU HB3 2.730 . 3.760 2.806 2.699 2.854 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 27 LEU HA 1 27 LEU MD2 3.600 . 5.500 3.228 2.664 3.594 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 27 LEU HA 1 27 LEU HG 2.960 . 4.220 1.953 1.899 2.099 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 27 LEU HA 1 28 LYS H 3.300 . 4.900 3.552 3.301 3.578 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 27 LEU HA 1 30 MET H 2.870 . 4.040 3.500 3.068 4.019 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 27 LEU HA 1 31 LEU MD2 3.850 . 6.000 4.626 3.574 5.007 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 27 LEU HB2 1 28 LYS H 3.270 . 4.840 2.831 2.504 3.820 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 27 LEU HB3 1 28 LYS H 3.000 . 4.300 2.588 1.869 3.766 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 27 LEU MD1 1 28 LYS H 3.850 . 6.000 4.403 4.153 4.963 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 27 LEU MD1 1 47 MET HA 3.830 . 5.960 3.509 2.321 4.350 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 27 LEU MD1 1 47 MET QB 3.850 . 6.000 3.472 2.414 4.445 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 27 LEU MD2 1 27 LEU HG 2.480 . 3.270 2.129 2.111 2.151 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 27 LEU MD2 1 47 MET QB 3.460 . 5.220 3.083 1.907 3.889 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 27 LEU MD2 1 47 MET QG 3.850 . 6.000 3.650 2.010 4.456 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 28 LYS H 1 28 LYS HA 2.930 . 4.160 2.756 2.685 2.951 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 28 LYS H 1 28 LYS QB 2.820 . 3.940 2.452 2.081 2.791 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 28 LYS H 1 28 LYS QG 3.330 . 4.960 2.411 1.834 3.843 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 28 LYS H 1 29 ILE H 3.140 . 4.580 2.885 2.048 3.232 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 28 LYS H 1 43 ILE MG 3.850 . 6.000 3.646 2.562 4.744 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 28 LYS HA 1 28 LYS QD 3.270 . 4.830 3.755 1.929 4.313 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 28 LYS HA 1 28 LYS QG 3.180 . 4.660 2.396 1.938 3.309 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 28 LYS HA 1 29 ILE H 3.520 . 5.340 3.542 3.442 3.575 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 28 LYS HA 1 31 LEU H 2.890 . 4.080 3.459 3.153 3.913 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 28 LYS HA 1 31 LEU HB2 3.540 . 5.380 2.930 2.642 3.484 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 28 LYS HA 1 31 LEU HB3 3.120 . 4.540 4.462 4.186 4.591 0.051 6 0 "[ . 1 . 2 . 3]" 1
414 1 28 LYS HA 1 31 LEU MD2 3.850 . 6.000 4.507 3.829 4.998 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 28 LYS HA 1 43 ILE MD 3.310 . 4.910 3.131 2.123 4.081 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 28 LYS QB 1 29 ILE H 3.250 . 4.790 2.550 2.113 3.619 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 28 LYS QD 1 29 ILE H 3.470 . 5.240 4.350 3.718 4.680 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 29 ILE H 1 29 ILE HA 2.840 . 3.980 2.796 2.735 2.867 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 29 ILE H 1 29 ILE HB 2.500 . 3.300 2.532 2.327 2.848 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 29 ILE H 1 29 ILE MD 3.850 . 6.000 3.309 1.985 3.820 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 29 ILE H 1 29 ILE QG 2.850 . 4.000 2.122 1.819 2.858 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 29 ILE H 1 29 ILE MG 3.830 . 5.960 3.748 3.712 3.765 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 29 ILE HA 1 29 ILE HB 2.730 . 3.770 3.024 2.996 3.030 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 29 ILE HA 1 29 ILE MD 3.830 . 5.950 3.597 1.891 3.882 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 29 ILE HA 1 29 ILE QG 2.710 . 3.710 2.428 2.180 3.221 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 29 ILE HA 1 29 ILE MG 3.190 . 4.670 2.376 2.156 2.468 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 29 ILE HA 1 32 GLN H 3.260 . 4.820 3.800 3.192 4.657 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 29 ILE HA 1 32 GLN QB 3.420 . 5.130 3.133 2.326 4.546 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 29 ILE HA 1 33 ALA H 3.390 . 5.080 3.782 2.722 4.612 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 29 ILE HB 1 29 ILE MD 3.350 . 5.000 2.352 1.968 3.194 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 29 ILE HB 1 30 MET H 2.540 . 3.370 2.591 1.955 3.019 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 29 ILE MD 1 30 MET H 3.850 . 6.000 4.411 3.787 4.861 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 29 ILE QG 1 30 MET H 3.700 . 5.700 4.023 3.400 4.407 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 30 MET H 1 30 MET HA 2.820 . 3.940 2.829 2.721 2.892 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 30 MET H 1 30 MET HB2 2.520 . 3.350 2.262 2.104 2.648 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 30 MET H 1 30 MET HB3 2.470 . 3.240 2.951 2.484 3.257 0.017 17 0 "[ . 1 . 2 . 3]" 1
437 1 30 MET H 1 30 MET QG 3.270 . 4.840 3.883 3.546 4.074 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 30 MET H 1 31 LEU H 2.520 . 3.330 2.650 2.426 3.000 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 30 MET H 1 31 LEU MD2 3.850 . 6.000 4.652 3.916 5.011 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 30 MET HA 1 30 MET HB2 2.800 . 3.900 2.673 2.449 2.861 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 30 MET HA 1 30 MET HB3 2.850 . 4.000 2.963 2.837 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 30 MET HA 1 30 MET QG 3.760 . 5.820 2.253 1.901 2.836 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 30 MET HA 1 31 LEU H 3.270 . 4.840 3.461 3.170 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 30 MET HA 1 32 GLN H 3.760 . 5.820 5.196 4.605 5.887 0.067 17 0 "[ . 1 . 2 . 3]" 1
445 1 30 MET HA 1 33 ALA H 3.290 . 4.880 4.064 3.590 4.923 0.043 9 0 "[ . 1 . 2 . 3]" 1
446 1 30 MET HA 1 33 ALA MB 3.850 . 6.000 3.001 2.064 4.096 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 30 MET HB2 1 31 LEU H 2.860 . 4.020 3.722 3.158 4.055 0.035 30 0 "[ . 1 . 2 . 3]" 1
448 1 31 LEU H 1 31 LEU HA 2.690 . 3.690 2.893 2.771 2.959 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 31 LEU H 1 31 LEU HB2 2.840 . 3.980 2.638 2.420 2.844 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 31 LEU H 1 31 LEU HB3 2.710 . 3.720 3.651 3.585 3.759 0.039 21 0 "[ . 1 . 2 . 3]" 1
451 1 31 LEU H 1 31 LEU MD1 3.850 . 6.000 3.711 3.469 4.021 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 31 LEU H 1 31 LEU MD2 3.550 . 5.400 3.039 2.285 3.759 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 31 LEU H 1 31 LEU HG 3.140 . 4.580 2.189 1.855 2.934 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 31 LEU HA 1 31 LEU HB2 2.730 . 3.770 3.022 2.994 3.030 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 31 LEU HA 1 31 LEU MD1 3.850 . 6.000 3.787 3.674 3.888 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 31 LEU HA 1 31 LEU MD2 2.990 . 4.280 1.986 1.822 2.185 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 31 LEU HA 1 32 GLN H 3.110 . 4.520 3.557 3.501 3.575 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 31 LEU HA 1 33 ALA H 3.310 . 4.920 4.068 3.605 4.909 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 31 LEU HA 1 34 THR H 3.750 . 5.790 3.427 3.036 4.335 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 31 LEU HA 1 34 THR MG 3.700 . 5.700 2.736 1.796 4.180 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 31 LEU HB2 1 31 LEU MD2 3.300 . 4.900 3.188 3.176 3.199 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 31 LEU HB2 1 32 GLN H 3.150 . 4.590 2.133 1.827 2.530 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 31 LEU HB2 1 34 THR H 3.850 . 6.000 5.220 5.017 5.589 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 31 LEU HB2 1 36 GLU H 3.850 . 6.000 5.719 5.067 6.032 0.032 6 0 "[ . 1 . 2 . 3]" 1
465 1 31 LEU HB3 1 31 LEU MD2 3.130 . 4.560 2.354 2.206 2.517 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 31 LEU HB3 1 32 GLN H 2.850 . 4.000 3.346 2.506 3.844 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 31 LEU MD1 1 32 GLN H 3.850 . 6.000 4.132 3.748 4.408 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 31 LEU MD1 1 42 ASP HA 3.850 . 6.000 4.977 4.650 5.034 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 31 LEU MD1 1 43 ILE H 3.850 . 6.000 3.982 3.240 4.509 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 31 LEU MD1 1 43 ILE HA 3.850 . 6.000 2.943 2.273 3.636 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 31 LEU MD2 1 32 GLN H 3.850 . 6.000 4.350 4.181 4.510 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 31 LEU MD2 4 1 EMD H12 2.900 . 4.000 2.684 2.270 3.215 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 31 LEU MD2 4 1 EMD H13 4.000 . 5.100 4.102 3.585 4.302 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 31 LEU MD2 4 1 EMD H24 4.000 . 5.100 3.852 2.371 4.254 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 31 LEU HG 1 34 THR H 3.850 . 6.000 5.985 5.793 6.058 0.058 2 0 "[ . 1 . 2 . 3]" 1
476 1 32 GLN H 1 32 GLN HA 2.690 . 3.680 2.794 2.690 2.923 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 32 GLN H 1 32 GLN QB 2.980 . 4.260 2.346 2.054 2.710 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 32 GLN H 1 32 GLN HE21 3.850 . 6.000 4.513 3.021 5.518 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 32 GLN H 1 32 GLN HE22 3.850 . 6.000 5.435 3.593 5.968 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 32 GLN H 1 32 GLN QG 2.960 . 4.220 2.709 1.904 3.781 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 32 GLN H 1 33 ALA H 2.610 . 3.520 2.738 2.411 3.324 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 32 GLN H 1 33 ALA MB 3.850 . 6.000 4.352 3.847 4.747 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 32 GLN H 1 36 GLU HB3 3.250 . 4.800 4.736 4.300 4.842 0.042 9 0 "[ . 1 . 2 . 3]" 1
484 1 32 GLN H 1 38 ILE HB 3.560 . 5.410 5.310 4.367 5.454 0.044 19 0 "[ . 1 . 2 . 3]" 1
485 1 32 GLN HA 1 32 GLN QG 2.880 . 4.060 2.348 1.905 3.299 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 32 GLN HA 1 33 ALA H 2.880 . 4.060 3.444 2.687 3.564 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 32 GLN HA 1 34 THR H 3.800 . 5.900 4.272 3.767 4.983 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 32 GLN QB 1 33 ALA H 3.450 . 5.200 2.970 2.397 3.897 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 32 GLN QB 1 34 THR H 3.850 . 6.000 4.790 4.213 5.378 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 33 ALA H 1 33 ALA HA 2.580 . 3.460 2.884 2.802 2.952 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 33 ALA H 1 33 ALA MB 2.890 . 4.080 2.231 2.082 2.817 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 33 ALA H 1 34 THR H 2.710 . 3.710 2.405 1.856 2.703 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 33 ALA H 1 34 THR MG 3.850 . 6.000 3.928 3.303 4.977 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 33 ALA MB 1 34 THR H 3.850 . 6.000 2.745 2.267 3.059 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 33 ALA MB 1 35 GLY H 3.850 . 6.000 4.453 4.177 5.022 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 34 THR H 1 34 THR MG 3.690 . 5.670 2.332 1.817 3.225 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 34 THR H 1 35 GLY H 3.140 . 4.580 3.091 2.027 3.641 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 34 THR H 1 35 GLY QA 3.850 . 6.000 4.646 4.053 4.968 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 34 THR H 1 36 GLU H 3.850 . 6.000 3.426 2.846 5.045 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 34 THR HA 1 34 THR MG 3.170 . 4.640 2.753 2.003 3.199 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 34 THR HB 1 34 THR MG 2.490 . 3.280 2.127 2.104 2.147 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 34 THR MG 1 35 GLY H 3.850 . 6.000 3.694 1.823 4.332 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 34 THR MG 1 36 GLU H 3.850 . 6.000 4.052 2.395 5.022 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 35 GLY H 1 36 GLU H 3.100 . 4.500 2.486 1.844 3.260 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 35 GLY H 1 36 GLU QG 3.850 . 6.000 4.121 2.240 5.376 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 35 GLY QA 1 36 GLU H 3.460 . 5.220 2.803 2.242 2.928 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 36 GLU H 1 36 GLU HB2 3.060 . 4.420 3.733 2.192 4.017 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 36 GLU H 1 36 GLU HB3 3.470 . 5.240 3.092 2.471 3.984 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 36 GLU H 1 36 GLU QG 3.530 . 5.360 2.801 1.846 4.278 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 36 GLU H 1 37 THR H 3.850 . 6.000 3.499 2.053 4.662 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 36 GLU HA 1 36 GLU HB3 2.740 . 3.780 2.436 2.247 2.918 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 36 GLU HA 1 36 GLU QG 3.660 . 5.620 3.092 1.892 3.325 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 36 GLU HA 1 37 THR H 2.880 . 4.060 2.884 2.139 3.564 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 36 GLU HA 1 38 ILE H 3.850 . 6.000 3.865 3.039 5.892 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 36 GLU HB2 1 37 THR H 3.850 . 6.000 3.594 1.835 4.535 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 36 GLU HB3 1 37 THR H 3.550 . 5.400 4.049 2.758 4.681 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 36 GLU HB3 1 38 ILE H 3.850 . 6.000 4.990 3.117 5.866 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 37 THR H 1 37 THR HB 2.690 . 3.670 3.182 2.500 3.728 0.058 8 0 "[ . 1 . 2 . 3]" 1
519 1 37 THR H 1 37 THR MG 3.850 . 6.000 3.248 1.817 4.013 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 37 THR H 1 38 ILE H 3.660 . 5.620 3.048 2.309 4.122 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 37 THR HA 1 37 THR MG 2.980 . 4.250 2.502 1.901 3.198 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 37 THR HA 1 38 ILE H 2.770 . 3.840 2.702 2.169 3.004 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 37 THR HA 1 38 ILE QG 3.850 . 6.000 4.472 3.921 5.335 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 37 THR HB 1 38 ILE H 3.440 . 5.180 4.377 3.972 4.666 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 37 THR MG 1 38 ILE H 3.850 . 6.000 4.020 3.420 4.380 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 38 ILE H 1 38 ILE HB 3.020 . 4.340 2.708 2.498 3.107 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 38 ILE H 1 38 ILE MD 3.850 . 6.000 3.809 2.489 4.502 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 38 ILE H 1 38 ILE QG 3.450 . 5.200 3.155 2.637 3.995 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 38 ILE H 1 38 ILE MG 3.850 . 6.000 3.832 3.647 4.008 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 38 ILE H 1 39 THR H 3.850 . 6.000 4.301 3.069 4.495 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 38 ILE HA 1 38 ILE HB 2.750 . 3.790 3.022 2.984 3.030 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 38 ILE HA 1 38 ILE MD 3.150 . 4.600 3.118 1.850 3.865 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 38 ILE HA 1 38 ILE QG 2.970 . 4.240 2.436 2.032 2.890 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 38 ILE HA 1 38 ILE MG 3.490 . 5.280 2.391 2.038 2.668 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 38 ILE HA 1 39 THR H 2.600 . 3.500 2.341 2.138 3.497 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 38 ILE HB 1 39 THR H 3.230 . 4.750 3.816 1.839 4.407 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 38 ILE HB 1 42 ASP HB2 3.230 . 4.760 4.259 2.727 4.757 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 38 ILE MD 1 39 THR H 3.850 . 6.000 4.200 2.926 4.999 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 38 ILE MD 1 42 ASP HB2 3.850 . 6.000 3.589 2.132 4.997 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 38 ILE QG 1 39 THR H 3.390 . 5.080 4.013 3.553 4.537 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 38 ILE MG 1 39 THR H 3.850 . 6.000 2.080 1.758 2.671 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 38 ILE MG 1 42 ASP HB2 3.710 . 5.720 1.889 1.721 2.221 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 38 ILE MG 1 42 ASP HB3 3.770 . 5.830 2.362 1.795 3.528 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 39 THR H 1 39 THR MG 3.080 . 4.460 2.588 1.849 3.737 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 39 THR H 1 41 ASP H 3.850 . 6.000 4.280 2.373 5.800 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 39 THR H 1 42 ASP H 3.750 . 5.800 4.065 3.009 5.649 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 39 THR H 1 42 ASP HB2 3.090 . 4.480 3.597 2.895 4.248 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 39 THR H 1 42 ASP HB3 3.700 . 5.700 5.079 4.241 5.701 0.001 9 0 "[ . 1 . 2 . 3]" 1
549 1 39 THR HA 1 40 GLU H 2.400 . 3.110 2.552 2.147 2.937 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 39 THR HB 1 39 THR MG 2.480 . 3.270 2.123 2.104 2.148 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 39 THR MG 1 40 GLU H 3.690 . 5.670 3.142 1.890 4.066 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 39 THR MG 1 41 ASP H 3.850 . 6.000 3.133 1.901 4.307 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 39 THR MG 1 42 ASP H 3.850 . 6.000 4.070 1.869 5.002 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 40 GLU H 1 40 GLU HA 2.950 . 4.200 2.751 2.302 2.944 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 40 GLU H 1 40 GLU QB 2.650 . 3.610 2.359 2.070 3.131 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 40 GLU H 1 40 GLU QG 3.540 . 5.380 3.633 2.594 4.248 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 40 GLU H 1 41 ASP H 2.770 . 3.830 2.795 2.150 3.823 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 40 GLU HA 1 40 GLU QG 3.350 . 5.000 2.123 1.909 2.474 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 40 GLU HA 1 41 ASP H 3.560 . 5.420 3.292 2.451 3.571 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 40 GLU HA 1 42 ASP H 3.850 . 6.000 4.072 3.282 5.059 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 40 GLU HA 1 43 ILE H 3.180 . 4.660 3.392 2.822 3.839 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 40 GLU HA 1 43 ILE HB 2.590 . 3.480 3.001 2.088 3.489 0.009 7 0 "[ . 1 . 2 . 3]" 1
563 1 40 GLU HA 1 43 ILE MD 3.330 . 4.960 2.365 1.711 4.032 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 40 GLU HA 1 43 ILE QG 3.390 . 5.080 3.214 1.867 4.364 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 40 GLU HA 1 43 ILE MG 3.810 . 5.910 4.243 3.278 4.782 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 40 GLU HA 1 44 GLU H 3.310 . 4.910 4.162 3.163 4.918 0.008 23 0 "[ . 1 . 2 . 3]" 1
567 1 40 GLU QB 1 41 ASP H 3.380 . 5.060 3.096 1.883 3.913 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 40 GLU QG 1 43 ILE MG 3.850 . 6.000 4.035 2.955 4.443 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 40 GLU QG 1 44 GLU H 3.850 . 6.000 4.308 3.139 5.278 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 41 ASP H 1 41 ASP HA 2.870 . 4.040 2.844 2.684 2.963 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 41 ASP H 1 41 ASP HB2 2.850 . 4.000 2.381 2.095 2.769 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 41 ASP H 1 41 ASP HB3 3.000 . 4.300 3.528 3.264 3.770 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 41 ASP H 1 42 ASP H 3.020 . 4.330 2.595 1.863 3.867 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 41 ASP H 1 43 ILE H 3.360 . 5.020 3.796 2.400 4.699 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 41 ASP HA 1 44 GLU H 3.140 . 4.580 4.067 3.464 4.593 0.013 30 0 "[ . 1 . 2 . 3]" 1
576 1 41 ASP HA 1 45 GLU QB 3.230 . 4.760 3.664 2.691 4.251 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 41 ASP HB2 1 42 ASP H 3.270 . 4.830 3.016 2.104 4.537 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 41 ASP HB3 1 42 ASP H 3.440 . 5.180 3.453 2.393 4.210 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 42 ASP H 1 42 ASP HB2 2.900 . 4.100 2.281 2.085 3.231 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 42 ASP H 1 42 ASP HB3 3.080 . 4.460 3.433 3.261 3.920 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 42 ASP H 1 43 ILE H 2.750 . 3.790 2.405 1.858 2.938 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 42 ASP H 1 43 ILE MD 3.850 . 6.000 4.234 3.116 5.002 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 42 ASP H 1 43 ILE QG 3.850 . 6.000 3.920 2.987 5.133 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 42 ASP H 1 44 GLU H 3.550 . 5.400 4.535 3.006 5.319 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 42 ASP HA 1 42 ASP HB2 2.960 . 4.220 2.923 2.849 3.028 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 42 ASP HA 1 42 ASP HB3 2.730 . 3.750 2.742 2.398 2.854 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 42 ASP HA 1 43 ILE H 3.020 . 4.340 3.420 3.223 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 42 ASP HA 1 45 GLU H 3.000 . 4.290 4.101 3.287 4.326 0.036 15 0 "[ . 1 . 2 . 3]" 1
589 1 42 ASP HA 1 45 GLU QB 3.220 . 4.740 2.854 2.156 3.420 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 42 ASP HA 1 46 LEU H 3.850 . 6.000 3.286 2.524 4.270 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 42 ASP HB2 1 43 ILE H 2.780 . 3.860 3.368 2.846 3.840 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 42 ASP HB3 1 43 ILE H 3.140 . 4.580 3.580 2.412 4.135 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 43 ILE H 1 43 ILE HA 2.690 . 3.680 2.888 2.748 2.918 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 43 ILE H 1 43 ILE HB 2.520 . 3.330 2.510 2.333 2.789 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 43 ILE H 1 43 ILE MD 3.850 . 6.000 3.078 2.072 3.764 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 43 ILE H 1 43 ILE QG 2.650 . 3.610 2.376 1.855 3.050 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 43 ILE H 1 43 ILE MG 3.830 . 5.960 3.758 3.706 3.792 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 43 ILE HA 1 43 ILE HB 2.740 . 3.780 3.024 2.997 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 43 ILE HA 1 43 ILE MD 3.820 . 5.940 3.410 1.873 3.937 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 43 ILE HA 1 43 ILE QG 2.790 . 3.880 2.484 2.155 3.170 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 43 ILE HA 1 43 ILE MG 3.230 . 4.760 2.327 2.173 2.494 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 43 ILE HA 1 44 GLU H 3.130 . 4.560 3.563 3.535 3.576 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 43 ILE HA 1 45 GLU H 3.670 . 5.640 4.776 3.833 5.354 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 43 ILE HA 1 46 LEU H 3.460 . 5.210 4.191 3.387 4.947 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 43 ILE HA 1 46 LEU HB2 3.060 . 4.420 3.932 2.624 4.451 0.031 25 0 "[ . 1 . 2 . 3]" 1
606 1 43 ILE HA 1 46 LEU HB3 2.880 . 4.050 3.833 2.606 4.076 0.026 2 0 "[ . 1 . 2 . 3]" 1
607 1 43 ILE HA 1 46 LEU MD1 3.790 . 5.880 4.482 2.870 4.917 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 43 ILE HA 1 47 MET H 3.450 . 5.200 4.010 3.123 4.848 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 43 ILE HB 1 44 GLU H 2.680 . 3.660 2.172 1.865 2.611 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 43 ILE QG 1 44 GLU H 3.270 . 4.830 3.907 3.302 4.211 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 43 ILE MG 1 44 GLU H 3.850 . 6.000 3.045 2.405 3.729 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 44 GLU H 1 44 GLU HA 2.810 . 3.920 2.835 2.736 2.889 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 44 GLU H 1 44 GLU QG 3.100 . 4.500 3.296 1.846 4.024 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 44 GLU H 1 45 GLU H 2.640 . 3.580 2.678 2.419 2.928 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 44 GLU HA 1 44 GLU QG 3.230 . 4.750 2.206 1.934 3.325 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 44 GLU HA 1 45 GLU H 3.110 . 4.520 3.543 3.428 3.577 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 44 GLU HA 1 46 LEU H 3.850 . 6.000 4.822 3.706 5.449 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 44 GLU HA 1 47 MET H 2.960 . 4.220 3.758 3.159 4.227 0.007 16 0 "[ . 1 . 2 . 3]" 1
619 1 44 GLU HA 1 47 MET QB 3.140 . 4.580 2.706 1.855 4.063 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 44 GLU HA 1 48 LYS H 3.440 . 5.170 3.996 3.113 4.839 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 45 GLU H 1 45 GLU HA 2.690 . 3.680 2.812 2.755 2.915 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 45 GLU H 1 45 GLU QB 2.530 . 3.360 2.235 2.088 2.394 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 45 GLU HA 1 45 GLU QG 3.350 . 5.000 2.272 1.947 2.838 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 45 GLU QB 1 46 LEU H 3.350 . 5.000 2.272 1.839 3.071 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 45 GLU QG 1 46 LEU H 3.570 . 5.440 3.794 2.834 4.431 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 46 LEU H 1 46 LEU HB2 3.000 . 4.300 2.196 2.100 2.646 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 46 LEU H 1 46 LEU HB3 2.620 . 3.540 3.040 2.385 3.466 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 46 LEU H 1 46 LEU MD2 3.850 . 6.000 4.306 3.995 4.467 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 46 LEU H 1 46 LEU HG 3.080 . 4.460 4.028 3.058 4.610 0.150 8 0 "[ . 1 . 2 . 3]" 1
630 1 46 LEU HA 1 46 LEU HB2 2.730 . 3.770 2.708 2.434 2.937 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 46 LEU HA 1 46 LEU HB3 2.930 . 4.160 2.947 2.752 3.026 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 46 LEU HA 1 46 LEU MD1 3.840 . 5.980 3.425 2.095 3.714 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 46 LEU HA 1 46 LEU MD2 3.040 . 4.380 2.823 1.809 3.689 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 46 LEU HA 1 49 ASP H 3.600 . 5.500 3.612 2.944 4.196 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 46 LEU HA 1 49 ASP QB 3.060 . 4.410 2.869 1.883 3.894 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 46 LEU HB2 1 47 MET H 2.890 . 4.080 3.413 2.547 3.956 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 46 LEU MD1 1 47 MET H 3.850 . 6.000 4.594 2.740 5.018 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 46 LEU MD1 1 66 PHE QE 3.850 . 6.000 4.065 2.867 4.449 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 46 LEU MD1 4 1 EMD H12 2.900 . 4.000 2.545 1.797 3.316 0.003 22 0 "[ . 1 . 2 . 3]" 1
640 1 46 LEU MD1 4 1 EMD H13 2.900 . 4.000 2.585 1.776 3.329 0.024 8 0 "[ . 1 . 2 . 3]" 1
641 1 47 MET H 1 47 MET HA 2.790 . 3.870 2.804 2.716 2.925 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 47 MET H 1 47 MET QB 2.690 . 3.690 2.217 2.066 2.315 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 47 MET H 1 47 MET QG 3.140 . 4.580 3.893 3.401 4.068 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 47 MET HA 1 47 MET QG 3.470 . 5.240 2.384 1.934 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 47 MET HA 1 48 LYS H 3.040 . 4.380 3.532 3.428 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 47 MET QB 1 48 LYS H 2.620 . 3.540 2.497 1.915 3.080 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 47 MET ME 1 47 MET QG 3.120 . 4.540 2.093 1.876 2.176 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 47 MET ME 1 57 ARG H 3.850 . 6.000 3.421 2.354 4.675 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 47 MET ME 1 57 ARG HA 3.060 . 4.420 2.638 1.893 3.412 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 47 MET ME 1 58 ILE H 3.850 . 6.000 4.402 3.239 5.002 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 47 MET ME 1 58 ILE MD 3.850 . 6.000 3.130 2.371 4.155 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 47 MET QG 1 48 LYS H 3.410 . 5.120 3.899 3.058 4.573 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 48 LYS H 1 48 LYS QB 2.980 . 4.260 2.221 2.070 2.636 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 48 LYS H 1 48 LYS QD 3.850 . 6.000 4.236 2.641 4.742 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 48 LYS H 1 48 LYS QG 3.320 . 4.940 3.244 1.903 4.059 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 48 LYS H 1 49 ASP H 2.620 . 3.540 2.715 2.305 3.129 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 48 LYS HA 1 48 LYS QE 3.850 . 6.000 4.047 2.685 4.650 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 48 LYS HA 1 51 ASP H 2.930 . 4.160 3.705 2.970 4.173 0.013 22 0 "[ . 1 . 2 . 3]" 1
659 1 48 LYS HA 1 51 ASP QB 3.250 . 4.790 2.761 1.970 3.686 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 48 LYS QB 1 48 LYS QE 3.850 . 6.000 3.212 1.952 3.841 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 48 LYS QB 1 49 ASP H 3.120 . 4.540 2.809 1.902 3.554 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 48 LYS QB 1 49 ASP QB 3.850 . 6.000 4.167 3.353 4.761 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 49 ASP H 1 49 ASP HA 2.850 . 4.000 2.868 2.754 2.918 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 49 ASP H 1 49 ASP QB 2.690 . 3.690 2.250 2.076 2.748 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 49 ASP H 1 50 GLY H 2.560 . 3.420 2.519 2.288 2.855 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 49 ASP HA 1 50 GLY H 3.180 . 4.660 3.473 3.304 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 49 ASP QB 1 50 GLY H 2.810 . 3.920 2.852 1.941 3.508 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 50 GLY H 1 50 GLY QA 2.530 . 3.360 2.302 2.200 2.476 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 50 GLY H 1 51 ASP H 2.460 . 3.210 2.551 2.026 3.179 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 50 GLY H 1 58 ILE MD 3.850 . 6.000 4.414 3.965 4.888 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 50 GLY H 1 66 PHE QD 3.630 . 5.560 4.616 3.956 4.961 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 50 GLY H 1 66 PHE QE 3.840 . 5.980 4.191 3.009 4.976 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 50 GLY QA 1 51 ASP H 3.020 . 4.340 2.818 2.222 2.929 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 50 GLY QA 1 58 ILE MD 3.540 . 5.370 3.157 2.406 3.989 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 50 GLY QA 1 66 PHE QD 3.810 . 5.920 2.665 1.914 3.499 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 51 ASP H 1 51 ASP HA 2.690 . 3.690 2.927 2.341 2.962 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 51 ASP H 1 51 ASP QB 2.610 . 3.530 2.502 2.261 2.864 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 51 ASP H 1 52 LYS H 2.440 . 3.180 3.109 2.744 3.218 0.038 30 0 "[ . 1 . 2 . 3]" 1
679 1 51 ASP H 1 58 ILE MD 3.540 . 5.370 4.198 2.844 4.488 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 51 ASP HA 1 52 LYS H 2.400 . 3.110 2.643 2.392 2.785 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 51 ASP HA 1 53 ASN H 3.080 . 4.460 3.333 2.927 4.019 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 51 ASP HA 1 54 ASN H 3.850 . 6.000 3.601 3.039 4.233 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 51 ASP HA 1 58 ILE MD 3.040 . 4.380 3.230 2.803 3.601 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 51 ASP HA 1 59 ASP H 3.850 . 6.000 5.356 4.650 5.919 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 51 ASP QB 1 52 LYS H 3.380 . 5.060 3.957 3.886 4.046 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 51 ASP QB 1 53 ASN H 3.700 . 5.700 4.563 3.965 5.038 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 51 ASP QB 1 58 ILE MD 3.480 . 5.260 3.334 2.377 3.873 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 52 LYS H 1 52 LYS HA 2.690 . 3.680 2.776 2.707 2.865 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 52 LYS H 1 52 LYS QB 3.080 . 4.460 2.206 2.074 2.577 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 52 LYS H 1 52 LYS QG 3.250 . 4.800 3.393 1.981 4.078 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 52 LYS H 1 53 ASN H 2.540 . 3.390 2.787 2.537 3.187 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 52 LYS H 1 58 ILE MD 3.850 . 6.000 4.878 4.512 5.016 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 52 LYS H 1 62 GLU HB2 3.850 . 6.000 5.047 4.507 5.576 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 52 LYS H 1 62 GLU HB3 2.830 . 3.950 3.725 3.307 3.961 0.011 24 0 "[ . 1 . 2 . 3]" 1
695 1 52 LYS H 1 62 GLU QG 3.690 . 5.670 3.473 1.904 4.716 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 52 LYS HA 1 52 LYS QE 3.850 . 6.000 3.812 2.009 5.049 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 52 LYS HA 1 52 LYS QG 3.500 . 5.290 2.250 1.932 3.300 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 52 LYS HA 1 53 ASN H 3.190 . 4.670 3.499 3.325 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 52 LYS HA 1 54 ASN H 3.850 . 6.000 3.962 3.498 4.418 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 52 LYS QB 1 53 ASN H 2.840 . 3.980 2.764 2.016 3.431 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 52 LYS QB 1 62 GLU QG 3.850 . 6.000 2.900 1.847 4.735 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 52 LYS QG 1 53 ASN H 3.480 . 5.250 4.134 1.843 4.652 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 53 ASN H 1 53 ASN HA 2.700 . 3.700 2.851 2.766 2.942 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 53 ASN H 1 53 ASN HB2 3.350 . 5.000 2.936 2.092 3.623 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 53 ASN H 1 53 ASN HB3 3.000 . 4.290 2.845 2.323 3.672 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 53 ASN H 1 54 ASN H 2.360 . 3.030 2.517 2.080 2.873 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 53 ASN H 1 54 ASN HA 3.420 . 5.130 4.790 4.357 5.074 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 53 ASN H 1 54 ASN HB3 3.850 . 6.000 5.757 5.124 6.078 0.078 30 0 "[ . 1 . 2 . 3]" 1
709 1 53 ASN H 1 55 ASP H 3.850 . 6.000 4.709 4.195 5.174 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 53 ASN H 1 62 GLU HB3 3.300 . 4.900 4.727 3.949 4.913 0.013 28 0 "[ . 1 . 2 . 3]" 1
711 1 53 ASN H 1 62 GLU QG 3.850 . 6.000 3.365 2.492 4.223 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 53 ASN HA 1 53 ASN HB2 2.730 . 3.750 2.616 2.347 3.030 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 53 ASN HA 1 53 ASN HB3 2.730 . 3.760 2.679 2.345 3.030 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 53 ASN HB2 1 54 ASN H 3.850 . 6.000 3.736 2.474 4.374 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 53 ASN HB3 1 54 ASN H 3.850 . 6.000 3.634 2.594 4.285 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 54 ASN H 1 54 ASN HA 2.800 . 3.900 2.307 2.298 2.350 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 54 ASN H 1 54 ASN HB2 3.560 . 5.420 3.320 2.927 4.084 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 54 ASN H 1 54 ASN HB3 3.410 . 5.120 3.700 3.075 4.084 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 54 ASN H 1 55 ASP H 2.950 . 4.200 2.876 2.151 3.195 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 54 ASN HA 1 54 ASN HB2 2.730 . 3.750 2.630 2.289 3.027 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 54 ASN HA 1 54 ASN HB3 2.790 . 3.890 2.846 2.250 3.030 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 54 ASN HA 1 55 ASP H 3.330 . 4.960 2.591 2.358 2.959 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 54 ASN HA 1 56 GLY H 2.670 . 3.640 3.444 3.181 3.655 0.015 18 0 "[ . 1 . 2 . 3]" 1
724 1 54 ASN HB3 1 55 ASP H 3.850 . 6.000 4.400 4.188 4.663 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 55 ASP H 1 55 ASP HA 2.690 . 3.670 2.959 2.921 2.964 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 55 ASP H 1 55 ASP HB2 3.500 . 5.300 2.867 2.395 3.745 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 55 ASP H 1 55 ASP HB3 3.330 . 4.950 3.175 2.562 3.799 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 55 ASP H 1 56 GLY H 2.500 . 3.310 1.935 1.839 2.258 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 55 ASP H 1 56 GLY QA 3.850 . 6.000 3.930 3.807 4.034 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 55 ASP HA 1 55 ASP HB2 2.730 . 3.750 2.720 2.419 3.028 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 55 ASP HA 1 56 GLY H 3.100 . 4.500 3.324 2.950 3.477 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 55 ASP HA 1 57 ARG H 3.850 . 6.000 4.814 4.302 5.447 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 55 ASP HB2 1 56 GLY H 3.290 . 4.870 3.900 3.209 4.419 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 55 ASP HB3 1 56 GLY H 3.270 . 4.830 3.716 2.938 4.399 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 56 GLY H 1 56 GLY QA 2.400 . 3.090 2.281 2.199 2.397 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 56 GLY H 1 57 ARG H 2.620 . 3.540 2.375 1.931 3.507 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 56 GLY QA 1 57 ARG H 3.200 . 4.700 2.790 2.550 2.918 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 57 ARG H 1 57 ARG HB2 3.340 . 4.980 3.739 2.905 4.102 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 57 ARG H 1 57 ARG HB3 3.530 . 5.360 3.504 2.574 3.958 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 57 ARG H 1 57 ARG QG 3.200 . 4.700 2.727 1.843 4.168 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 57 ARG H 1 58 ILE H 3.850 . 6.000 4.357 4.214 4.516 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 57 ARG H 1 58 ILE MD 3.850 . 6.000 4.320 3.230 4.992 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 57 ARG HA 1 57 ARG HB2 2.790 . 3.880 2.584 2.386 3.012 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 57 ARG HA 1 57 ARG HB3 2.750 . 3.790 2.487 2.257 3.027 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 57 ARG HA 1 57 ARG QG 3.140 . 4.580 3.048 2.004 3.303 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 57 ARG HA 1 58 ILE MD 3.850 . 6.000 3.670 2.776 4.534 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 57 ARG HB2 1 57 ARG QD 3.230 . 4.750 2.415 2.047 2.641 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 57 ARG HB2 1 58 ILE H 3.410 . 5.120 2.306 1.809 3.887 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 57 ARG HB3 1 57 ARG QD 3.210 . 4.710 2.540 2.156 3.278 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 57 ARG HB3 1 58 ILE H 3.350 . 5.000 3.264 1.947 3.855 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 57 ARG QD 1 58 ILE H 3.850 . 6.000 3.954 3.431 4.433 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 58 ILE H 1 58 ILE HB 2.820 . 3.940 2.773 2.437 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 58 ILE H 1 58 ILE MD 3.850 . 6.000 3.470 2.897 3.931 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 58 ILE H 1 58 ILE QG 3.500 . 5.290 2.450 2.045 3.582 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 58 ILE HA 1 58 ILE HB 2.750 . 3.810 3.006 2.973 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 58 ILE HA 1 58 ILE MD 2.880 . 4.050 2.260 1.884 3.452 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 58 ILE HA 1 58 ILE QG 3.000 . 4.300 2.937 2.017 3.217 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 58 ILE HA 1 62 GLU HB2 2.940 . 4.170 3.377 2.882 3.736 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 58 ILE HA 1 62 GLU HB3 3.230 . 4.760 4.251 3.804 4.685 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 58 ILE HB 1 58 ILE MD 2.940 . 4.170 3.104 2.009 3.195 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 58 ILE HB 1 59 ASP H 3.850 . 6.000 3.769 3.277 4.308 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 58 ILE MD 1 58 ILE MG 2.810 . 3.930 1.828 1.540 2.762 0.160 15 0 "[ . 1 . 2 . 3]" 1
763 1 58 ILE MD 1 59 ASP H 3.850 . 6.000 3.780 3.162 4.799 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 58 ILE QG 1 59 ASP H 3.850 . 6.000 4.503 3.413 4.721 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 58 ILE MG 1 59 ASP H 3.850 . 6.000 2.197 1.870 2.520 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 58 ILE MG 1 62 GLU H 3.850 . 6.000 4.248 3.501 4.850 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 58 ILE MG 1 62 GLU HB2 3.370 . 5.040 2.421 1.845 3.390 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 58 ILE MG 1 62 GLU HB3 3.480 . 5.260 3.115 2.458 4.025 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 58 ILE MG 1 63 PHE H 2.980 . 4.260 2.718 2.188 3.281 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 58 ILE MG 1 63 PHE HA 3.380 . 5.060 2.782 2.248 3.413 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 58 ILE MG 1 63 PHE HB2 3.140 . 4.580 2.138 1.854 2.769 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 58 ILE MG 1 63 PHE HB3 3.560 . 5.420 3.608 3.233 4.215 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 58 ILE MG 1 63 PHE QD 2.790 . 4.320 2.271 1.783 2.847 0.017 17 0 "[ . 1 . 2 . 3]" 1
774 1 59 ASP H 1 59 ASP HB2 3.850 . 6.000 3.062 2.564 3.810 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 59 ASP H 1 59 ASP HB3 3.520 . 5.340 3.297 2.539 3.852 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 59 ASP H 1 61 ASP H 3.850 . 6.000 4.791 3.892 5.577 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 59 ASP H 1 62 GLU H 3.710 . 5.720 3.494 3.088 3.899 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 59 ASP H 1 62 GLU HA 3.850 . 6.000 5.038 4.661 5.392 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 59 ASP H 1 62 GLU HB2 3.100 . 4.500 2.182 1.857 2.493 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 59 ASP H 1 62 GLU HB3 3.430 . 5.160 3.746 3.324 4.090 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 59 ASP HA 1 59 ASP HB2 2.730 . 3.760 2.732 2.365 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 59 ASP HA 1 59 ASP HB3 2.760 . 3.820 2.609 2.313 3.030 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 59 ASP HA 1 60 TYR H 2.750 . 3.790 2.449 2.263 2.762 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 59 ASP HA 1 61 ASP H 3.850 . 6.000 4.412 3.969 5.158 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 59 ASP HB2 1 60 TYR H 2.810 . 3.930 3.224 2.050 3.932 0.002 26 0 "[ . 1 . 2 . 3]" 1
786 1 59 ASP HB2 1 62 GLU H 3.480 . 5.250 3.579 2.334 4.791 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 59 ASP HB3 1 60 TYR H 3.020 . 4.340 3.023 2.006 3.820 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 59 ASP HB3 1 62 GLU H 3.690 . 5.670 3.780 2.548 4.846 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 60 TYR H 1 60 TYR HA 2.830 . 3.970 2.780 2.695 2.907 . 0 0 "[ . 1 . 2 . 3]" 1
790 1 60 TYR H 1 60 TYR HB2 2.540 . 3.380 2.216 2.094 2.761 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 60 TYR H 1 60 TYR HB3 2.630 . 3.570 3.093 2.373 3.477 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 60 TYR H 1 61 ASP H 2.670 . 3.640 2.817 2.324 3.249 . 0 0 "[ . 1 . 2 . 3]" 1
793 1 60 TYR H 1 62 GLU H 3.340 . 4.980 4.622 3.849 4.982 0.002 22 0 "[ . 1 . 2 . 3]" 1
794 1 60 TYR HA 1 60 TYR HB2 2.750 . 3.790 2.725 2.391 2.946 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 60 TYR HA 1 61 ASP H 3.060 . 4.410 3.509 3.321 3.574 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 60 TYR HA 1 63 PHE H 3.540 . 5.370 3.822 3.362 4.322 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 60 TYR HB3 1 61 ASP H 2.630 . 3.570 2.787 1.867 3.513 . 0 0 "[ . 1 . 2 . 3]" 1
798 1 60 TYR HD1 1 64 LEU QD 3.850 . 6.000 3.494 1.852 5.226 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 60 TYR QE 1 64 LEU QD 3.850 . 6.000 2.787 1.861 3.801 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 61 ASP H 1 61 ASP HA 3.000 . 4.300 2.829 2.708 2.948 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 61 ASP H 1 61 ASP HB2 2.650 . 3.610 2.476 2.087 3.585 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 61 ASP H 1 61 ASP HB3 2.720 . 3.740 3.234 2.357 3.690 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 61 ASP H 1 62 GLU H 2.500 . 3.310 2.810 2.179 3.268 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 61 ASP H 1 63 PHE H 3.230 . 4.760 4.019 3.457 4.553 . 0 0 "[ . 1 . 2 . 3]" 1
805 1 61 ASP HA 1 61 ASP HB2 2.880 . 4.060 2.824 2.384 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 61 ASP HA 1 61 ASP HB3 2.730 . 3.760 2.700 2.294 3.028 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 61 ASP HA 1 62 GLU H 2.980 . 4.260 3.564 3.502 3.580 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 61 ASP HA 1 64 LEU H 3.500 . 5.300 3.640 3.299 4.030 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 61 ASP HA 1 64 LEU HB2 3.600 . 5.500 2.678 2.243 2.967 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 61 ASP HA 1 64 LEU HB3 3.060 . 4.420 4.074 3.133 4.448 0.028 13 0 "[ . 1 . 2 . 3]" 1
811 1 61 ASP HA 1 64 LEU QD 3.780 . 5.860 3.203 2.288 4.331 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 61 ASP HA 1 64 LEU HG 3.270 . 4.840 4.211 3.488 4.849 0.009 8 0 "[ . 1 . 2 . 3]" 1
813 1 61 ASP HB2 1 62 GLU H 2.870 . 4.040 2.819 1.948 3.928 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 61 ASP HB3 1 62 GLU H 3.050 . 4.400 2.841 1.901 3.860 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 62 GLU H 1 62 GLU HA 2.950 . 4.200 2.809 2.740 2.890 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 62 GLU H 1 62 GLU HB2 2.870 . 4.040 2.570 2.299 2.949 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 62 GLU H 1 62 GLU HB3 2.610 . 3.530 3.583 3.557 3.601 0.071 19 0 "[ . 1 . 2 . 3]" 1
818 1 62 GLU H 1 62 GLU QG 3.060 . 4.410 2.054 1.802 2.734 . 0 0 "[ . 1 . 2 . 3]" 1
819 1 62 GLU H 1 63 PHE H 2.580 . 3.460 2.722 2.411 2.985 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 62 GLU H 1 63 PHE HB3 3.450 . 5.200 5.110 4.752 5.237 0.037 30 0 "[ . 1 . 2 . 3]" 1
821 1 62 GLU HA 1 62 GLU HB3 2.730 . 3.770 2.453 2.282 2.615 . 0 0 "[ . 1 . 2 . 3]" 1
822 1 62 GLU HA 1 62 GLU QG 3.460 . 5.220 2.427 2.186 2.732 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 62 GLU HA 1 63 PHE H 3.060 . 4.420 3.541 3.494 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 62 GLU HA 1 65 GLU H 3.410 . 5.120 3.562 3.164 4.073 . 0 0 "[ . 1 . 2 . 3]" 1
825 1 62 GLU HA 1 65 GLU QB 3.470 . 5.240 3.072 2.584 4.306 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 62 GLU HA 1 66 PHE H 3.230 . 4.760 3.912 3.465 4.507 . 0 0 "[ . 1 . 2 . 3]" 1
827 1 62 GLU HB2 1 63 PHE H 2.750 . 3.810 2.482 1.961 2.871 . 0 0 "[ . 1 . 2 . 3]" 1
828 1 62 GLU HB3 1 63 PHE H 3.000 . 4.300 3.581 3.174 3.953 . 0 0 "[ . 1 . 2 . 3]" 1
829 1 62 GLU QG 1 63 PHE H 3.710 . 5.720 3.901 3.205 4.337 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 63 PHE H 1 63 PHE HB2 2.730 . 3.770 2.374 2.172 2.688 . 0 0 "[ . 1 . 2 . 3]" 1
831 1 63 PHE H 1 63 PHE HB3 2.790 . 3.880 2.746 2.404 3.062 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 63 PHE H 1 63 PHE QD 3.270 . 4.840 4.074 3.672 4.198 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 63 PHE H 1 64 LEU H 2.650 . 3.610 2.668 2.447 2.954 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 63 PHE H 1 65 GLU H 3.350 . 5.000 4.230 3.848 4.893 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 63 PHE HA 1 63 PHE HB2 2.750 . 3.800 2.564 2.385 2.673 . 0 0 "[ . 1 . 2 . 3]" 1
836 1 63 PHE HA 1 63 PHE QD 3.080 . 4.460 2.616 1.842 3.069 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 63 PHE HA 1 66 PHE H 3.130 . 4.560 3.860 3.350 4.579 0.019 12 0 "[ . 1 . 2 . 3]" 1
838 1 63 PHE HA 1 66 PHE HB3 2.890 . 4.080 3.294 2.705 4.098 0.018 17 0 "[ . 1 . 2 . 3]" 1
839 1 63 PHE HB2 1 64 LEU H 3.040 . 4.380 3.760 3.432 4.096 . 0 0 "[ . 1 . 2 . 3]" 1
840 1 63 PHE HB3 1 64 LEU H 2.890 . 4.080 2.671 2.092 3.182 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 63 PHE QD 1 64 LEU HA 3.850 . 6.000 3.663 2.769 4.801 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 63 PHE QD 1 64 LEU QD 3.850 . 6.000 3.565 2.867 4.177 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 64 LEU H 1 64 LEU HA 2.910 . 4.120 2.831 2.706 2.880 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 64 LEU H 1 64 LEU HB2 2.930 . 4.160 2.199 2.091 2.411 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 64 LEU H 1 64 LEU HB3 2.730 . 3.770 3.455 2.938 3.582 . 0 0 "[ . 1 . 2 . 3]" 1
846 1 64 LEU H 1 64 LEU QD 3.750 . 5.680 3.089 2.261 3.527 . 0 0 "[ . 1 . 2 . 3]" 1
847 1 64 LEU H 1 64 LEU HG 3.170 . 4.630 3.275 2.269 4.550 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 64 LEU H 1 65 GLU H 2.740 . 3.780 2.676 2.436 3.090 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 64 LEU HA 1 64 LEU HB2 2.740 . 3.780 2.949 2.688 3.025 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 64 LEU HA 1 64 LEU HB3 2.830 . 3.970 2.705 2.529 2.972 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 64 LEU HA 1 64 LEU QD 3.020 . 4.340 1.930 1.685 2.453 0.015 29 0 "[ . 1 . 2 . 3]" 1
852 1 64 LEU HA 1 64 LEU HG 3.510 . 5.320 2.891 2.358 3.537 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 64 LEU HA 1 65 GLU H 3.520 . 5.330 3.504 3.286 3.577 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 64 LEU HA 1 66 PHE H 3.850 . 6.000 5.102 3.992 5.785 . 0 0 "[ . 1 . 2 . 3]" 1
855 1 64 LEU HA 1 67 MET H 3.850 . 6.000 4.261 3.282 5.179 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 64 LEU HA 1 68 LYS H 3.790 . 5.870 5.440 4.864 5.853 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 64 LEU HB2 1 65 GLU H 3.080 . 4.460 2.958 1.997 3.871 . 0 0 "[ . 1 . 2 . 3]" 1
858 1 64 LEU HB3 1 65 GLU H 2.850 . 4.000 3.257 2.263 3.908 . 0 0 "[ . 1 . 2 . 3]" 1
859 1 64 LEU QD 1 65 GLU H 3.850 . 6.000 3.983 3.591 4.335 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 65 GLU H 1 65 GLU HA 2.690 . 3.690 2.871 2.716 2.960 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 65 GLU H 1 65 GLU QB 2.870 . 4.040 2.281 2.067 2.734 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 65 GLU H 1 65 GLU QG 3.150 . 4.590 3.404 1.882 4.096 . 0 0 "[ . 1 . 2 . 3]" 1
863 1 65 GLU H 1 66 PHE H 2.580 . 3.470 2.710 2.100 3.173 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 65 GLU HA 1 65 GLU QG 3.310 . 4.920 2.299 1.895 3.314 . 0 0 "[ . 1 . 2 . 3]" 1
865 1 65 GLU HA 1 66 PHE H 3.050 . 4.400 3.546 3.386 3.575 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 65 GLU HA 1 67 MET H 3.850 . 6.000 4.707 3.873 5.483 . 0 0 "[ . 1 . 2 . 3]" 1
867 1 65 GLU HA 1 68 LYS H 3.430 . 5.160 4.907 4.519 5.179 0.019 21 0 "[ . 1 . 2 . 3]" 1
868 1 65 GLU HA 1 68 LYS QD 3.850 . 6.000 4.168 1.799 5.314 . 0 0 "[ . 1 . 2 . 3]" 1
869 1 65 GLU QB 1 66 PHE H 2.850 . 4.000 2.343 1.847 3.556 . 0 0 "[ . 1 . 2 . 3]" 1
870 1 65 GLU QG 1 66 PHE H 3.710 . 5.720 3.712 1.928 4.471 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 66 PHE H 1 66 PHE HA 2.790 . 3.880 2.825 2.729 2.904 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 66 PHE H 1 66 PHE HB2 2.610 . 3.530 2.322 2.101 2.624 . 0 0 "[ . 1 . 2 . 3]" 1
873 1 66 PHE H 1 66 PHE HB3 2.590 . 3.480 2.869 2.502 3.161 . 0 0 "[ . 1 . 2 . 3]" 1
874 1 66 PHE H 1 66 PHE QD 3.610 . 5.520 4.045 3.709 4.217 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 66 PHE H 1 67 MET QB 3.690 . 5.680 4.753 4.045 5.084 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 66 PHE H 1 68 LYS H 3.430 . 5.160 5.068 4.812 5.190 0.030 9 0 "[ . 1 . 2 . 3]" 1
877 1 66 PHE HA 1 66 PHE HB2 2.750 . 3.790 2.624 2.412 2.805 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 66 PHE HA 1 66 PHE QD 3.190 . 4.670 2.711 2.003 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
879 1 66 PHE HA 1 68 LYS H 3.430 . 5.160 4.331 3.882 5.164 0.004 20 0 "[ . 1 . 2 . 3]" 1
880 1 66 PHE HB2 1 66 PHE QD 3.140 . 4.580 2.424 2.302 2.744 . 0 0 "[ . 1 . 2 . 3]" 1
881 1 66 PHE HB2 1 67 MET H 3.850 . 6.000 3.597 3.192 4.576 . 0 0 "[ . 1 . 2 . 3]" 1
882 1 66 PHE HB3 1 66 PHE QD 3.160 . 4.620 2.476 2.301 2.730 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 66 PHE HB3 1 67 MET H 3.290 . 4.880 2.563 1.863 4.275 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 66 PHE QD 1 67 MET H 3.850 . 6.000 3.826 2.844 4.748 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 66 PHE QD 1 67 MET HA 3.810 . 5.920 3.859 2.887 4.826 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 67 MET H 1 67 MET QG 3.580 . 5.460 3.639 2.026 4.201 . 0 0 "[ . 1 . 2 . 3]" 1
887 1 67 MET H 1 68 LYS H 3.270 . 4.840 3.454 1.853 3.751 . 0 0 "[ . 1 . 2 . 3]" 1
888 1 67 MET H 1 69 GLY H 3.850 . 6.000 5.280 4.920 5.728 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 67 MET HA 1 67 MET ME 3.600 . 5.500 3.254 1.901 4.441 . 0 0 "[ . 1 . 2 . 3]" 1
890 1 67 MET HA 1 67 MET QG 3.560 . 5.420 2.525 1.972 3.365 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 67 MET HA 1 68 LYS H 3.850 . 6.000 2.511 2.345 2.890 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 67 MET HA 1 69 GLY H 3.850 . 6.000 4.061 2.996 4.770 . 0 0 "[ . 1 . 2 . 3]" 1
893 1 67 MET HA 1 70 VAL H 3.850 . 6.000 3.934 3.581 4.271 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 67 MET HA 1 70 VAL HB 3.400 . 5.090 4.089 3.051 5.027 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 67 MET HA 1 70 VAL MG2 3.070 . 4.440 2.292 1.829 3.685 . 0 0 "[ . 1 . 2 . 3]" 1
896 1 67 MET ME 1 67 MET QG 3.250 . 4.790 2.148 1.876 2.372 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 67 MET ME 1 70 VAL MG2 3.540 . 5.380 3.000 1.838 3.737 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 68 LYS H 1 68 LYS HA 2.790 . 3.890 2.880 2.806 2.917 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 68 LYS H 1 68 LYS QB 2.880 . 4.050 2.290 2.057 2.777 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 68 LYS H 1 68 LYS QD 3.850 . 6.000 4.125 2.525 4.922 . 0 0 "[ . 1 . 2 . 3]" 1
901 1 68 LYS H 1 68 LYS QG 3.230 . 4.760 3.158 1.814 4.000 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 68 LYS H 1 70 VAL H 3.180 . 4.660 4.606 4.294 4.682 0.022 18 0 "[ . 1 . 2 . 3]" 1
903 1 68 LYS H 1 70 VAL MG2 3.850 . 6.000 3.016 2.484 4.125 . 0 0 "[ . 1 . 2 . 3]" 1
904 1 68 LYS HA 1 68 LYS QE 3.310 . 4.920 4.062 2.629 4.400 . 0 0 "[ . 1 . 2 . 3]" 1
905 1 68 LYS HA 1 68 LYS QG 3.270 . 4.840 2.338 1.885 3.309 . 0 0 "[ . 1 . 2 . 3]" 1
906 1 68 LYS QB 1 68 LYS QE 3.850 . 6.000 2.668 1.844 3.742 . 0 0 "[ . 1 . 2 . 3]" 1
907 1 68 LYS QB 1 69 GLY H 3.850 . 6.000 3.905 3.164 4.036 . 0 0 "[ . 1 . 2 . 3]" 1
908 1 69 GLY H 1 70 VAL H 3.270 . 4.840 2.816 2.176 3.193 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 69 GLY H 1 70 VAL MG2 3.850 . 6.000 3.472 2.502 4.035 . 0 0 "[ . 1 . 2 . 3]" 1
910 1 69 GLY QA 1 70 VAL H 3.150 . 4.600 2.499 2.427 2.588 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 70 VAL H 1 70 VAL HB 2.730 . 3.750 2.889 2.403 3.779 0.029 13 0 "[ . 1 . 2 . 3]" 1
912 1 70 VAL H 1 70 VAL MG2 2.710 . 3.720 2.287 1.886 2.955 . 0 0 "[ . 1 . 2 . 3]" 1
913 1 70 VAL H 1 71 GLU H 3.640 . 5.580 3.879 2.419 4.593 . 0 0 "[ . 1 . 2 . 3]" 1
914 1 70 VAL HA 1 70 VAL HB 2.750 . 3.790 2.917 2.410 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 70 VAL HA 1 70 VAL MG1 3.340 . 4.980 2.248 2.005 2.456 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 70 VAL HA 1 71 GLU H 2.910 . 4.120 2.581 2.137 3.568 . 0 0 "[ . 1 . 2 . 3]" 1
917 1 71 GLU H 1 71 GLU HB2 3.410 . 5.120 2.867 2.085 3.705 . 0 0 "[ . 1 . 2 . 3]" 1
918 1 71 GLU H 1 71 GLU HB3 2.960 . 4.210 3.468 2.470 4.086 . 0 0 "[ . 1 . 2 . 3]" 1
919 1 71 GLU H 1 71 GLU QG 3.850 . 6.000 3.570 1.829 4.290 . 0 0 "[ . 1 . 2 . 3]" 1
920 1 71 GLU HA 1 71 GLU HB3 2.830 . 3.970 2.826 2.320 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
921 4 1 EMD H13 4 1 EMD H6 3.870 2.160 4.970 4.570 4.444 4.705 . 0 0 "[ . 1 . 2 . 3]" 1
922 4 1 EMD H6 4 1 EMD H9 2.530 . 3.030 2.176 1.895 2.473 0.005 10 0 "[ . 1 . 2 . 3]" 1
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