NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
446130 |
2kl8   |
16387 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kl8
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 1411
_Distance_constraint_stats_list.Viol_count 282
_Distance_constraint_stats_list.Viol_total 172.702
_Distance_constraint_stats_list.Viol_max 0.171
_Distance_constraint_stats_list.Viol_rms 0.0039
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0306
_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 MET 0.659 0.086 17 0 "[ . 1 . 2]"
1 2 GLU 0.087 0.028 9 0 "[ . 1 . 2]"
1 3 MET 1.068 0.082 6 0 "[ . 1 . 2]"
1 4 ASP 0.022 0.022 11 0 "[ . 1 . 2]"
1 5 ILE 0.272 0.074 16 0 "[ . 1 . 2]"
1 6 ARG 0.048 0.026 7 0 "[ . 1 . 2]"
1 7 PHE 1.400 0.092 4 0 "[ . 1 . 2]"
1 8 ARG 0.258 0.090 9 0 "[ . 1 . 2]"
1 9 GLY 0.020 0.013 12 0 "[ . 1 . 2]"
1 10 ASP 0.192 0.064 4 0 "[ . 1 . 2]"
1 11 ASP 0.095 0.045 1 0 "[ . 1 . 2]"
1 12 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLU 0.001 0.001 4 0 "[ . 1 . 2]"
1 14 ALA 0.185 0.045 1 0 "[ . 1 . 2]"
1 15 PHE 0.194 0.039 11 0 "[ . 1 . 2]"
1 16 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ALA 0.732 0.171 10 0 "[ . 1 . 2]"
1 19 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LYS 0.122 0.079 1 0 "[ . 1 . 2]"
1 21 GLU 0.473 0.171 10 0 "[ . 1 . 2]"
1 22 MET 0.099 0.040 20 0 "[ . 1 . 2]"
1 23 ILE 0.107 0.043 1 0 "[ . 1 . 2]"
1 24 ARG 0.074 0.074 11 0 "[ . 1 . 2]"
1 25 GLN 0.088 0.074 11 0 "[ . 1 . 2]"
1 26 ALA 0.115 0.058 9 0 "[ . 1 . 2]"
1 27 ARG 0.042 0.042 3 0 "[ . 1 . 2]"
1 28 LYS 0.014 0.014 8 0 "[ . 1 . 2]"
1 29 PHE 0.050 0.015 13 0 "[ . 1 . 2]"
1 30 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 VAL 0.165 0.045 9 0 "[ . 1 . 2]"
1 34 THR 0.236 0.080 12 0 "[ . 1 . 2]"
1 35 TYR 0.342 0.058 7 0 "[ . 1 . 2]"
1 36 THR 0.199 0.118 7 0 "[ . 1 . 2]"
1 37 LEU 0.687 0.054 6 0 "[ . 1 . 2]"
1 38 ASP 0.119 0.069 1 0 "[ . 1 . 2]"
1 39 GLY 0.226 0.069 1 0 "[ . 1 . 2]"
1 40 ASN 0.007 0.007 1 0 "[ . 1 . 2]"
1 41 ASP 0.052 0.031 2 0 "[ . 1 . 2]"
1 42 LEU 0.418 0.053 20 0 "[ . 1 . 2]"
1 43 GLU 0.071 0.026 7 0 "[ . 1 . 2]"
1 44 ILE 0.025 0.013 6 0 "[ . 1 . 2]"
1 45 ARG 0.117 0.076 20 0 "[ . 1 . 2]"
1 46 ILE 0.564 0.080 12 0 "[ . 1 . 2]"
1 47 THR 0.087 0.028 9 0 "[ . 1 . 2]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 VAL 0.553 0.103 15 0 "[ . 1 . 2]"
1 50 PRO 0.252 0.060 17 0 "[ . 1 . 2]"
1 51 GLU 0.028 0.020 16 0 "[ . 1 . 2]"
1 52 GLN 0.050 0.015 12 0 "[ . 1 . 2]"
1 53 VAL 0.296 0.060 17 0 "[ . 1 . 2]"
1 54 ARG 0.445 0.103 15 0 "[ . 1 . 2]"
1 55 LYS 0.011 0.011 15 0 "[ . 1 . 2]"
1 56 GLU 0.066 0.038 13 0 "[ . 1 . 2]"
1 57 LEU 0.236 0.064 9 0 "[ . 1 . 2]"
1 58 ALA 0.163 0.054 1 0 "[ . 1 . 2]"
1 59 LYS 0.074 0.038 13 0 "[ . 1 . 2]"
1 60 GLU 0.303 0.069 7 0 "[ . 1 . 2]"
1 61 ALA 0.078 0.034 12 0 "[ . 1 . 2]"
1 62 GLU 0.059 0.051 11 0 "[ . 1 . 2]"
1 63 ARG 0.007 0.007 19 0 "[ . 1 . 2]"
1 64 LEU 1.930 0.092 4 0 "[ . 1 . 2]"
1 65 ALA 0.269 0.058 15 0 "[ . 1 . 2]"
1 66 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 GLU 0.003 0.003 12 0 "[ . 1 . 2]"
1 68 PHE 0.067 0.044 12 0 "[ . 1 . 2]"
1 69 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ILE 0.212 0.064 4 0 "[ . 1 . 2]"
1 71 THR 0.553 0.090 9 0 "[ . 1 . 2]"
1 72 VAL 0.300 0.051 11 0 "[ . 1 . 2]"
1 73 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 TYR 0.007 0.007 11 0 "[ . 1 . 2]"
1 75 THR 0.022 0.022 11 0 "[ . 1 . 2]"
1 76 ILE 0.963 0.082 6 0 "[ . 1 . 2]"
1 77 ARG 0.023 0.015 9 0 "[ . 1 . 2]"
1 78 LEU 0.004 0.003 2 0 "[ . 1 . 2]"
1 79 GLU 0.004 0.003 2 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 GLU H 1 2 GLU HG2 5.050 . 5.810 4.183 3.569 4.600 . 0 0 "[ . 1 . 2]" 1
2 1 2 GLU H 1 2 GLU HG3 5.050 . 5.810 3.540 2.321 4.950 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLU H 1 3 MET H 5.770 . 6.640 4.483 4.347 4.606 . 0 0 "[ . 1 . 2]" 1
4 1 2 GLU HA 1 3 MET H 2.900 . 3.340 2.322 2.204 2.526 . 0 0 "[ . 1 . 2]" 1
5 1 2 GLU HB2 1 3 MET H 4.800 . 5.520 3.943 3.422 4.559 . 0 0 "[ . 1 . 2]" 1
6 1 2 GLU HB3 1 3 MET H 4.800 . 5.520 3.089 2.350 4.101 . 0 0 "[ . 1 . 2]" 1
7 1 3 MET H 1 3 MET HB2 4.030 . 4.630 3.377 2.860 3.926 . 0 0 "[ . 1 . 2]" 1
8 1 3 MET H 1 3 MET HB3 4.030 . 4.630 2.946 2.577 3.445 . 0 0 "[ . 1 . 2]" 1
9 1 3 MET H 1 4 ASP H 4.840 . 5.570 4.136 3.893 4.332 . 0 0 "[ . 1 . 2]" 1
10 1 3 MET HA 1 4 ASP H 2.960 . 3.400 2.158 2.113 2.226 . 0 0 "[ . 1 . 2]" 1
11 1 4 ASP HA 1 5 ILE H 3.360 . 3.860 2.188 2.127 2.224 . 0 0 "[ . 1 . 2]" 1
12 1 5 ILE H 1 5 ILE HB 4.150 . 4.770 2.704 2.606 2.870 . 0 0 "[ . 1 . 2]" 1
13 1 5 ILE HA 1 6 ARG H 2.850 . 3.280 2.206 2.139 2.294 . 0 0 "[ . 1 . 2]" 1
14 1 5 ILE HB 1 6 ARG H 5.900 . 6.790 4.216 3.834 4.369 . 0 0 "[ . 1 . 2]" 1
15 1 5 ILE MG 1 6 ARG H 3.360 . 3.860 2.828 2.281 3.128 . 0 0 "[ . 1 . 2]" 1
16 1 6 ARG H 1 6 ARG HB2 3.830 . 4.400 2.917 2.400 3.964 . 0 0 "[ . 1 . 2]" 1
17 1 6 ARG H 1 6 ARG HB3 3.830 . 4.400 3.449 2.545 3.843 . 0 0 "[ . 1 . 2]" 1
18 1 6 ARG HA 1 7 PHE H 2.760 . 3.170 2.154 2.106 2.212 . 0 0 "[ . 1 . 2]" 1
19 1 7 PHE H 1 42 LEU HB3 5.860 . 6.740 3.126 2.673 3.576 . 0 0 "[ . 1 . 2]" 1
20 1 7 PHE H 1 7 PHE HB2 3.560 . 4.090 2.439 2.368 2.541 . 0 0 "[ . 1 . 2]" 1
21 1 7 PHE HA 1 8 ARG H 3.210 . 3.690 2.236 2.159 2.332 . 0 0 "[ . 1 . 2]" 1
22 1 7 PHE HB3 1 8 ARG H 5.020 . 5.770 3.034 2.650 3.387 . 0 0 "[ . 1 . 2]" 1
23 1 8 ARG H 1 9 GLY H 5.770 . 6.640 4.232 4.126 4.367 . 0 0 "[ . 1 . 2]" 1
24 1 8 ARG HA 1 9 GLY H 2.750 . 3.160 2.175 2.116 2.224 . 0 0 "[ . 1 . 2]" 1
25 1 8 ARG HB2 1 9 GLY H 4.520 . 5.200 4.314 4.190 4.480 . 0 0 "[ . 1 . 2]" 1
26 1 8 ARG HB3 1 9 GLY H 4.250 . 4.890 4.258 4.123 4.411 . 0 0 "[ . 1 . 2]" 1
27 1 8 ARG HG2 1 9 GLY H 4.330 . 4.980 3.493 2.964 4.791 . 0 0 "[ . 1 . 2]" 1
28 1 8 ARG HG3 1 9 GLY H 4.330 . 4.980 3.365 3.021 4.836 . 0 0 "[ . 1 . 2]" 1
29 1 9 GLY H 1 10 ASP H 5.770 . 6.640 4.362 4.145 4.446 . 0 0 "[ . 1 . 2]" 1
30 1 9 GLY HA2 1 10 ASP H 3.000 . 3.450 2.510 2.174 2.990 . 0 0 "[ . 1 . 2]" 1
31 1 9 GLY HA3 1 10 ASP H 3.000 . 3.450 2.663 2.195 3.162 . 0 0 "[ . 1 . 2]" 1
32 1 10 ASP H 1 10 ASP HB2 3.750 . 4.310 2.934 2.426 3.724 . 0 0 "[ . 1 . 2]" 1
33 1 10 ASP H 1 10 ASP HB3 3.750 . 4.310 3.207 2.443 3.770 . 0 0 "[ . 1 . 2]" 1
34 1 10 ASP H 1 11 ASP H 3.990 . 4.590 2.795 1.950 4.421 . 0 0 "[ . 1 . 2]" 1
35 1 11 ASP HA 1 12 LEU H 3.420 . 3.930 2.322 2.121 3.542 . 0 0 "[ . 1 . 2]" 1
36 1 12 LEU H 1 12 LEU HB2 3.950 . 4.540 2.650 2.409 3.627 . 0 0 "[ . 1 . 2]" 1
37 1 12 LEU H 1 13 GLU H 3.690 . 4.240 2.634 2.109 3.079 . 0 0 "[ . 1 . 2]" 1
38 1 12 LEU HB3 1 13 GLU H 4.540 . 5.220 2.520 2.241 2.957 . 0 0 "[ . 1 . 2]" 1
39 1 13 GLU H 1 13 GLU HB2 3.520 . 4.050 2.615 2.289 3.631 . 0 0 "[ . 1 . 2]" 1
40 1 13 GLU H 1 13 GLU HB3 3.520 . 4.050 3.291 2.467 3.626 . 0 0 "[ . 1 . 2]" 1
41 1 13 GLU H 1 14 ALA H 3.590 . 4.130 2.681 2.524 2.810 . 0 0 "[ . 1 . 2]" 1
42 1 13 GLU HB3 1 14 ALA H 4.420 . 5.080 3.673 2.718 4.119 . 0 0 "[ . 1 . 2]" 1
43 1 14 ALA H 1 14 ALA MB 3.140 . 3.610 2.237 2.220 2.251 . 0 0 "[ . 1 . 2]" 1
44 1 14 ALA H 1 15 PHE H 3.260 . 3.750 2.806 2.609 2.972 . 0 0 "[ . 1 . 2]" 1
45 1 14 ALA MB 1 15 PHE H 3.460 . 3.980 2.587 2.432 2.763 . 0 0 "[ . 1 . 2]" 1
46 1 15 PHE H 1 16 GLU H 4.530 . 5.210 2.879 2.634 3.002 . 0 0 "[ . 1 . 2]" 1
47 1 16 GLU H 1 16 GLU HG2 5.340 . 6.140 3.759 2.036 4.563 . 0 0 "[ . 1 . 2]" 1
48 1 16 GLU H 1 16 GLU HG3 5.340 . 6.140 3.890 2.256 4.584 . 0 0 "[ . 1 . 2]" 1
49 1 16 GLU H 1 17 LYS H 3.830 . 4.400 2.749 2.563 2.971 . 0 0 "[ . 1 . 2]" 1
50 1 16 GLU HB2 1 17 LYS H 3.980 . 4.580 3.642 2.440 3.980 . 0 0 "[ . 1 . 2]" 1
51 1 16 GLU HB3 1 17 LYS H 3.980 . 4.580 3.042 2.277 4.096 . 0 0 "[ . 1 . 2]" 1
52 1 17 LYS H 1 17 LYS HB3 3.780 . 4.350 3.591 3.450 3.635 . 0 0 "[ . 1 . 2]" 1
53 1 17 LYS H 1 17 LYS HG2 3.860 . 4.440 2.331 2.013 3.239 . 0 0 "[ . 1 . 2]" 1
54 1 17 LYS H 1 17 LYS HG3 3.860 . 4.440 3.698 3.557 4.135 . 0 0 "[ . 1 . 2]" 1
55 1 17 LYS H 1 17 LYS HB2 3.490 . 4.010 2.475 2.154 2.726 . 0 0 "[ . 1 . 2]" 1
56 1 17 LYS H 1 18 ALA H 3.680 . 4.230 2.823 2.680 2.942 . 0 0 "[ . 1 . 2]" 1
57 1 17 LYS HB3 1 18 ALA H 5.770 . 6.640 3.441 2.909 3.787 . 0 0 "[ . 1 . 2]" 1
58 1 18 ALA H 1 19 LEU H 4.070 . 4.680 2.774 2.628 2.930 . 0 0 "[ . 1 . 2]" 1
59 1 18 ALA MB 1 19 LEU H 3.260 . 3.750 2.392 2.265 2.516 . 0 0 "[ . 1 . 2]" 1
60 1 19 LEU H 1 19 LEU HB3 3.180 . 3.660 2.487 2.398 2.547 . 0 0 "[ . 1 . 2]" 1
61 1 19 LEU H 1 19 LEU HB2 3.190 . 3.670 2.506 2.438 2.598 . 0 0 "[ . 1 . 2]" 1
62 1 19 LEU H 1 19 LEU MD1 4.460 . 5.130 4.109 4.048 4.190 . 0 0 "[ . 1 . 2]" 1
63 1 19 LEU H 1 20 LYS H 3.380 . 3.890 2.773 2.650 2.880 . 0 0 "[ . 1 . 2]" 1
64 1 16 GLU HA 1 20 LYS H 4.540 . 5.220 3.816 3.352 4.175 . 0 0 "[ . 1 . 2]" 1
65 1 19 LEU HB3 1 20 LYS H 3.250 . 3.740 2.543 2.345 2.714 . 0 0 "[ . 1 . 2]" 1
66 1 19 LEU HB2 1 20 LYS H 4.750 . 5.460 3.865 3.740 3.962 . 0 0 "[ . 1 . 2]" 1
67 1 19 LEU HG 1 20 LYS H 4.080 . 4.690 3.698 3.448 3.995 . 0 0 "[ . 1 . 2]" 1
68 1 19 LEU MD1 1 20 LYS H 5.770 . 6.640 4.460 4.362 4.564 . 0 0 "[ . 1 . 2]" 1
69 1 20 LYS H 1 20 LYS HB2 3.040 . 3.500 2.413 2.188 2.633 . 0 0 "[ . 1 . 2]" 1
70 1 20 LYS H 1 20 LYS HB3 3.040 . 3.500 2.632 2.374 2.940 . 0 0 "[ . 1 . 2]" 1
71 1 20 LYS H 1 20 LYS HG2 4.640 . 5.340 4.596 4.555 4.639 . 0 0 "[ . 1 . 2]" 1
72 1 20 LYS HB2 1 21 GLU H 3.840 . 4.420 3.784 3.467 3.931 . 0 0 "[ . 1 . 2]" 1
73 1 20 LYS HB3 1 21 GLU H 3.840 . 4.420 2.534 2.315 2.822 . 0 0 "[ . 1 . 2]" 1
74 1 20 LYS HG2 1 21 GLU H 5.770 . 6.640 4.651 4.139 5.081 . 0 0 "[ . 1 . 2]" 1
75 1 20 LYS HD2 1 21 GLU H 6.150 . 7.070 5.057 4.587 5.907 . 0 0 "[ . 1 . 2]" 1
76 1 20 LYS HD3 1 21 GLU H 6.500 . 7.480 5.586 5.375 5.728 . 0 0 "[ . 1 . 2]" 1
77 1 21 GLU H 1 21 GLU HB2 3.670 . 4.220 2.476 2.341 2.634 . 0 0 "[ . 1 . 2]" 1
78 1 21 GLU H 1 21 GLU HB3 3.670 . 4.220 3.541 2.363 3.628 . 0 0 "[ . 1 . 2]" 1
79 1 21 GLU H 1 21 GLU HG2 3.720 . 4.280 2.415 2.063 4.442 0.162 10 0 "[ . 1 . 2]" 1
80 1 21 GLU H 1 21 GLU HG3 3.720 . 4.280 3.732 3.537 4.359 0.079 10 0 "[ . 1 . 2]" 1
81 1 21 GLU H 1 22 MET H 3.270 . 3.760 2.756 2.579 2.893 . 0 0 "[ . 1 . 2]" 1
82 1 21 GLU HB2 1 22 MET H 4.560 . 5.240 2.673 2.426 3.823 . 0 0 "[ . 1 . 2]" 1
83 1 22 MET H 1 22 MET HB2 3.960 . 4.550 2.540 2.463 2.684 . 0 0 "[ . 1 . 2]" 1
84 1 22 MET H 1 23 ILE H 3.550 . 4.080 2.795 2.586 2.919 . 0 0 "[ . 1 . 2]" 1
85 1 22 MET HB2 1 23 ILE H 3.820 . 4.390 2.518 2.349 2.730 . 0 0 "[ . 1 . 2]" 1
86 1 22 MET HB3 1 23 ILE H 4.260 . 4.900 3.561 3.369 3.840 . 0 0 "[ . 1 . 2]" 1
87 1 23 ILE H 1 23 ILE HB 2.850 . 3.280 2.522 2.472 2.585 . 0 0 "[ . 1 . 2]" 1
88 1 57 LEU H 1 57 LEU MD2 3.610 . 4.150 3.232 3.153 3.312 . 0 0 "[ . 1 . 2]" 1
89 1 23 ILE H 1 23 ILE HG13 3.150 . 3.620 2.178 2.032 2.299 . 0 0 "[ . 1 . 2]" 1
90 1 23 ILE H 1 23 ILE HG12 3.430 . 3.940 3.392 3.266 3.499 . 0 0 "[ . 1 . 2]" 1
91 1 23 ILE H 1 23 ILE MD 3.520 . 4.050 3.643 3.573 3.739 . 0 0 "[ . 1 . 2]" 1
92 1 23 ILE H 1 24 ARG H 3.240 . 3.730 2.691 2.598 2.749 . 0 0 "[ . 1 . 2]" 1
93 1 23 ILE HB 1 24 ARG H 3.230 . 3.710 2.652 2.531 2.817 . 0 0 "[ . 1 . 2]" 1
94 1 23 ILE MG 1 24 ARG H 3.620 . 4.160 3.411 3.302 3.512 . 0 0 "[ . 1 . 2]" 1
95 1 24 ARG H 1 24 ARG HB2 3.140 . 3.610 2.476 2.349 2.625 . 0 0 "[ . 1 . 2]" 1
96 1 24 ARG H 1 24 ARG HB3 3.140 . 3.610 2.545 2.374 2.719 . 0 0 "[ . 1 . 2]" 1
97 1 23 ILE HG13 1 24 ARG H 4.750 . 5.460 4.288 4.142 4.472 . 0 0 "[ . 1 . 2]" 1
98 1 24 ARG H 1 25 GLN H 3.320 . 3.820 2.908 2.782 3.097 . 0 0 "[ . 1 . 2]" 1
99 1 24 ARG HB2 1 25 GLN H 4.570 . 5.260 3.822 3.641 4.001 . 0 0 "[ . 1 . 2]" 1
100 1 24 ARG HB3 1 25 GLN H 4.570 . 5.260 2.470 2.174 2.729 . 0 0 "[ . 1 . 2]" 1
101 1 25 GLN H 1 25 GLN HB2 4.110 . 4.730 2.433 2.211 2.590 . 0 0 "[ . 1 . 2]" 1
102 1 25 GLN H 1 25 GLN HB3 4.110 . 4.730 3.600 3.512 3.636 . 0 0 "[ . 1 . 2]" 1
103 1 25 GLN H 1 25 GLN HG3 4.530 . 5.210 3.440 2.088 4.073 . 0 0 "[ . 1 . 2]" 1
104 1 25 GLN H 1 26 ALA H 2.730 . 3.140 2.623 2.514 2.759 . 0 0 "[ . 1 . 2]" 1
105 1 25 GLN HG3 1 26 ALA H 5.420 . 6.230 4.845 4.133 5.185 . 0 0 "[ . 1 . 2]" 1
106 1 26 ALA H 1 26 ALA MB 3.190 . 3.670 2.235 2.216 2.244 . 0 0 "[ . 1 . 2]" 1
107 1 26 ALA H 1 27 ARG H 3.440 . 3.960 2.771 2.660 2.915 . 0 0 "[ . 1 . 2]" 1
108 1 26 ALA MB 1 27 ARG H 3.430 . 3.940 2.708 2.426 2.960 . 0 0 "[ . 1 . 2]" 1
109 1 27 ARG H 1 27 ARG HG2 3.720 . 4.280 3.131 2.229 3.716 . 0 0 "[ . 1 . 2]" 1
110 1 27 ARG H 1 27 ARG HG3 3.720 . 4.280 2.750 2.142 3.753 . 0 0 "[ . 1 . 2]" 1
111 1 27 ARG H 1 28 LYS H 4.080 . 4.690 2.738 2.493 2.834 . 0 0 "[ . 1 . 2]" 1
112 1 28 LYS H 1 28 LYS HE2 5.770 . 6.640 4.866 3.841 6.041 . 0 0 "[ . 1 . 2]" 1
113 1 28 LYS H 1 28 LYS HE3 5.770 . 6.640 4.606 2.415 5.806 . 0 0 "[ . 1 . 2]" 1
114 1 29 PHE H 1 30 ALA H 4.600 . 5.290 4.153 2.294 4.582 . 0 0 "[ . 1 . 2]" 1
115 1 30 ALA H 1 31 GLY H 4.180 . 4.810 3.221 2.256 4.126 . 0 0 "[ . 1 . 2]" 1
116 1 31 GLY H 1 32 THR H 5.770 . 6.640 4.420 3.994 4.650 . 0 0 "[ . 1 . 2]" 1
117 1 31 GLY HA2 1 32 THR H 3.530 . 4.060 2.437 2.133 3.116 . 0 0 "[ . 1 . 2]" 1
118 1 31 GLY HA3 1 32 THR H 3.530 . 4.060 2.827 2.184 3.512 . 0 0 "[ . 1 . 2]" 1
119 1 32 THR H 1 32 THR HB 3.490 . 4.010 2.633 2.474 2.897 . 0 0 "[ . 1 . 2]" 1
120 1 32 THR H 1 32 THR MG 3.990 . 4.590 3.857 3.790 3.955 . 0 0 "[ . 1 . 2]" 1
121 1 32 THR H 1 33 VAL H 4.890 . 5.620 4.443 4.282 4.601 . 0 0 "[ . 1 . 2]" 1
122 1 33 VAL H 1 33 VAL MG2 3.860 . 4.440 2.614 2.327 2.856 . 0 0 "[ . 1 . 2]" 1
123 1 33 VAL H 1 34 THR H 5.770 . 6.640 4.338 4.108 4.493 . 0 0 "[ . 1 . 2]" 1
124 1 33 VAL HA 1 34 THR H 2.950 . 3.390 2.164 2.143 2.193 . 0 0 "[ . 1 . 2]" 1
125 1 33 VAL MG1 1 34 THR H 3.240 . 3.730 2.837 2.442 3.133 . 0 0 "[ . 1 . 2]" 1
126 1 34 THR H 1 34 THR MG 4.380 . 5.040 2.233 1.978 2.629 . 0 0 "[ . 1 . 2]" 1
127 1 35 TYR HA 1 36 THR H 3.180 . 3.660 2.229 2.154 2.361 . 0 0 "[ . 1 . 2]" 1
128 1 35 TYR HB2 1 36 THR H 4.140 . 4.760 2.912 2.540 3.203 . 0 0 "[ . 1 . 2]" 1
129 1 35 TYR HB3 1 36 THR H 4.140 . 4.760 3.997 3.733 4.204 . 0 0 "[ . 1 . 2]" 1
130 1 36 THR H 1 36 THR HB 3.870 . 4.450 3.536 2.725 3.889 . 0 0 "[ . 1 . 2]" 1
131 1 37 LEU HA 1 38 ASP H 2.550 . 2.930 2.178 2.147 2.218 . 0 0 "[ . 1 . 2]" 1
132 1 37 LEU MD1 1 38 ASP H 3.330 . 3.830 3.183 2.357 3.706 . 0 0 "[ . 1 . 2]" 1
133 1 37 LEU MD2 1 38 ASP H 4.660 . 5.360 4.641 4.490 5.086 . 0 0 "[ . 1 . 2]" 1
134 1 38 ASP H 1 38 ASP HB3 3.380 . 3.890 2.784 2.546 3.047 . 0 0 "[ . 1 . 2]" 1
135 1 38 ASP H 1 38 ASP HB2 3.810 . 4.380 3.079 2.767 3.345 . 0 0 "[ . 1 . 2]" 1
136 1 39 GLY HA3 1 40 ASN H 3.320 . 3.820 2.271 2.178 2.454 . 0 0 "[ . 1 . 2]" 1
137 1 40 ASN H 1 40 ASN HB2 3.840 . 4.420 3.034 2.482 3.920 . 0 0 "[ . 1 . 2]" 1
138 1 40 ASN H 1 40 ASN HB3 3.840 . 4.420 3.513 2.692 3.790 . 0 0 "[ . 1 . 2]" 1
139 1 40 ASN H 1 41 ASP H 3.030 . 3.480 2.243 1.838 3.487 0.007 1 0 "[ . 1 . 2]" 1
140 1 41 ASP HA 1 42 LEU H 2.700 . 3.110 2.206 2.145 2.355 . 0 0 "[ . 1 . 2]" 1
141 1 7 PHE HB2 1 42 LEU H 3.960 . 4.550 3.719 3.238 4.321 . 0 0 "[ . 1 . 2]" 1
142 1 41 ASP HB2 1 42 LEU H 4.660 . 5.360 3.907 2.480 4.354 . 0 0 "[ . 1 . 2]" 1
143 1 41 ASP HB3 1 42 LEU H 4.660 . 5.360 3.499 2.768 4.248 . 0 0 "[ . 1 . 2]" 1
144 1 42 LEU H 1 42 LEU HB3 3.730 . 4.290 2.524 2.364 2.697 . 0 0 "[ . 1 . 2]" 1
145 1 42 LEU H 1 42 LEU MD2 4.510 . 5.190 4.452 4.318 4.635 . 0 0 "[ . 1 . 2]" 1
146 1 42 LEU HA 1 43 GLU H 3.010 . 3.460 2.188 2.155 2.235 . 0 0 "[ . 1 . 2]" 1
147 1 42 LEU HG 1 43 GLU H 5.600 . 6.440 3.817 3.293 4.045 . 0 0 "[ . 1 . 2]" 1
148 1 42 LEU MD1 1 43 GLU H 3.460 . 3.980 2.767 2.296 3.086 . 0 0 "[ . 1 . 2]" 1
149 1 43 GLU H 1 43 GLU HB2 4.190 . 4.820 2.643 2.471 3.040 . 0 0 "[ . 1 . 2]" 1
150 1 43 GLU H 1 43 GLU HB3 4.190 . 4.820 3.126 2.395 3.686 . 0 0 "[ . 1 . 2]" 1
151 1 43 GLU HA 1 44 ILE H 2.940 . 3.380 2.179 2.124 2.220 . 0 0 "[ . 1 . 2]" 1
152 1 44 ILE H 1 44 ILE HB 3.690 . 4.240 2.619 2.545 2.771 . 0 0 "[ . 1 . 2]" 1
153 1 5 ILE HB 1 44 ILE H 4.580 . 5.270 3.857 2.927 4.322 . 0 0 "[ . 1 . 2]" 1
154 1 44 ILE H 1 45 ARG H 4.420 . 5.080 4.304 4.121 4.506 . 0 0 "[ . 1 . 2]" 1
155 1 45 ARG H 1 46 ILE H 4.350 . 5.000 4.331 4.168 4.471 . 0 0 "[ . 1 . 2]" 1
156 1 45 ARG HA 1 46 ILE H 2.850 . 3.280 2.154 2.130 2.176 . 0 0 "[ . 1 . 2]" 1
157 1 45 ARG HG3 1 46 ILE H 4.700 . 5.400 3.635 2.944 5.248 . 0 0 "[ . 1 . 2]" 1
158 1 46 ILE H 1 46 ILE HB 3.170 . 3.650 2.620 2.547 2.711 . 0 0 "[ . 1 . 2]" 1
159 1 46 ILE H 1 46 ILE MG 4.000 . 4.600 3.853 3.823 3.898 . 0 0 "[ . 1 . 2]" 1
160 1 46 ILE H 1 46 ILE HG12 4.660 . 5.360 3.702 3.504 3.901 . 0 0 "[ . 1 . 2]" 1
161 1 46 ILE H 1 46 ILE HG13 3.420 . 3.930 2.550 2.284 2.827 . 0 0 "[ . 1 . 2]" 1
162 1 46 ILE H 1 46 ILE MD 4.610 . 5.300 3.896 3.714 4.077 . 0 0 "[ . 1 . 2]" 1
163 1 46 ILE H 1 47 THR H 4.590 . 5.280 4.383 4.225 4.566 . 0 0 "[ . 1 . 2]" 1
164 1 46 ILE HA 1 47 THR H 2.610 . 3.000 2.166 2.129 2.243 . 0 0 "[ . 1 . 2]" 1
165 1 46 ILE MG 1 47 THR H 3.090 . 3.550 2.794 2.336 3.072 . 0 0 "[ . 1 . 2]" 1
166 1 46 ILE HG12 1 47 THR H 4.750 . 5.460 4.533 4.392 4.672 . 0 0 "[ . 1 . 2]" 1
167 1 33 VAL MG2 1 47 THR H 3.990 . 4.590 3.960 3.231 4.583 . 0 0 "[ . 1 . 2]" 1
168 1 47 THR H 1 47 THR MG 4.000 . 4.600 3.862 3.813 3.952 . 0 0 "[ . 1 . 2]" 1
169 1 47 THR H 1 48 GLY H 4.750 . 5.460 4.402 4.165 4.509 . 0 0 "[ . 1 . 2]" 1
170 1 47 THR HA 1 48 GLY H 3.120 . 3.590 2.187 2.162 2.254 . 0 0 "[ . 1 . 2]" 1
171 1 47 THR MG 1 48 GLY H 3.820 . 4.390 2.754 2.369 3.122 . 0 0 "[ . 1 . 2]" 1
172 1 48 GLY H 1 49 VAL H 3.590 . 4.130 2.541 2.287 2.756 . 0 0 "[ . 1 . 2]" 1
173 1 49 VAL H 1 49 VAL HB 3.820 . 4.390 3.738 3.630 3.855 . 0 0 "[ . 1 . 2]" 1
174 1 49 VAL H 1 49 VAL MG2 2.640 . 3.040 2.050 1.871 2.236 . 0 0 "[ . 1 . 2]" 1
175 1 50 PRO HA 1 51 GLU H 3.090 . 3.550 2.296 2.143 2.640 . 0 0 "[ . 1 . 2]" 1
176 1 50 PRO HB2 1 51 GLU H 3.840 . 4.420 3.113 1.984 3.819 . 0 0 "[ . 1 . 2]" 1
177 1 51 GLU H 1 51 GLU HB2 3.780 . 4.350 3.206 2.329 3.655 . 0 0 "[ . 1 . 2]" 1
178 1 51 GLU H 1 51 GLU HB3 3.780 . 4.350 2.600 2.463 2.901 . 0 0 "[ . 1 . 2]" 1
179 1 52 GLN H 1 52 GLN HG2 4.640 . 5.340 2.156 1.900 2.411 . 0 0 "[ . 1 . 2]" 1
180 1 50 PRO HB3 1 52 GLN H 5.560 . 6.390 4.446 3.887 5.435 . 0 0 "[ . 1 . 2]" 1
181 1 52 GLN H 1 53 VAL H 4.530 . 5.210 2.731 2.644 2.897 . 0 0 "[ . 1 . 2]" 1
182 1 52 GLN HB2 1 53 VAL H 5.220 . 6.000 3.881 3.635 4.128 . 0 0 "[ . 1 . 2]" 1
183 1 52 GLN HB3 1 53 VAL H 5.220 . 6.000 4.055 3.854 4.244 . 0 0 "[ . 1 . 2]" 1
184 1 52 GLN HG2 1 53 VAL H 4.880 . 5.610 2.753 2.227 3.142 . 0 0 "[ . 1 . 2]" 1
185 1 52 GLN HG3 1 53 VAL H 4.880 . 5.610 2.513 2.038 3.015 . 0 0 "[ . 1 . 2]" 1
186 1 53 VAL H 1 53 VAL HB 3.200 . 3.680 2.556 2.496 2.705 . 0 0 "[ . 1 . 2]" 1
187 1 53 VAL H 1 53 VAL MG1 4.010 . 4.610 3.810 3.780 3.894 . 0 0 "[ . 1 . 2]" 1
188 1 53 VAL H 1 53 VAL MG2 2.980 . 3.430 2.218 1.987 2.436 . 0 0 "[ . 1 . 2]" 1
189 1 53 VAL H 1 54 ARG H 3.400 . 3.910 2.389 2.099 2.658 . 0 0 "[ . 1 . 2]" 1
190 1 54 ARG H 1 54 ARG HB2 3.800 . 4.370 2.504 2.309 2.802 . 0 0 "[ . 1 . 2]" 1
191 1 54 ARG H 1 54 ARG HB3 3.870 . 4.450 2.516 2.289 2.735 . 0 0 "[ . 1 . 2]" 1
192 1 54 ARG H 1 55 LYS H 3.530 . 4.060 2.911 2.812 3.024 . 0 0 "[ . 1 . 2]" 1
193 1 54 ARG HB3 1 55 LYS H 2.860 . 3.290 2.584 2.300 2.869 . 0 0 "[ . 1 . 2]" 1
194 1 55 LYS H 1 55 LYS HG2 4.100 . 4.720 2.658 1.863 3.584 . 0 0 "[ . 1 . 2]" 1
195 1 55 LYS H 1 55 LYS HG3 4.100 . 4.720 2.784 1.847 3.723 . 0 0 "[ . 1 . 2]" 1
196 1 57 LEU HB3 1 58 ALA H 4.770 . 5.490 3.599 3.447 3.748 . 0 0 "[ . 1 . 2]" 1
197 1 58 ALA H 1 58 ALA MB 3.250 . 3.740 2.246 2.232 2.252 . 0 0 "[ . 1 . 2]" 1
198 1 58 ALA H 1 59 LYS H 3.520 . 4.050 2.701 2.608 2.806 . 0 0 "[ . 1 . 2]" 1
199 1 58 ALA MB 1 59 LYS H 3.380 . 3.890 2.496 2.331 2.756 . 0 0 "[ . 1 . 2]" 1
200 1 59 LYS H 1 59 LYS HB2 3.110 . 3.580 2.538 2.390 2.682 . 0 0 "[ . 1 . 2]" 1
201 1 59 LYS H 1 59 LYS HB3 3.300 . 3.800 2.499 2.297 2.620 . 0 0 "[ . 1 . 2]" 1
202 1 59 LYS H 1 60 GLU H 3.360 . 3.860 2.696 2.506 2.841 . 0 0 "[ . 1 . 2]" 1
203 1 59 LYS HA 1 60 GLU H 3.360 . 3.860 3.543 3.511 3.571 . 0 0 "[ . 1 . 2]" 1
204 1 59 LYS HB3 1 60 GLU H 3.240 . 3.730 2.699 2.416 2.918 . 0 0 "[ . 1 . 2]" 1
205 1 60 GLU H 1 61 ALA MB 4.320 . 4.970 4.316 4.215 4.411 . 0 0 "[ . 1 . 2]" 1
206 1 60 GLU H 1 60 GLU HB2 3.060 . 3.520 2.451 2.154 2.642 . 0 0 "[ . 1 . 2]" 1
207 1 60 GLU H 1 60 GLU HB3 3.060 . 3.520 2.744 2.474 3.589 0.069 7 0 "[ . 1 . 2]" 1
208 1 60 GLU H 1 60 GLU HG2 4.670 . 5.370 4.403 2.355 4.636 . 0 0 "[ . 1 . 2]" 1
209 1 60 GLU H 1 61 ALA H 3.280 . 3.770 2.676 2.547 2.782 . 0 0 "[ . 1 . 2]" 1
210 1 61 ALA H 1 62 GLU H 3.550 . 4.080 2.833 2.715 2.979 . 0 0 "[ . 1 . 2]" 1
211 1 61 ALA MB 1 62 GLU H 3.430 . 3.940 2.478 2.315 2.656 . 0 0 "[ . 1 . 2]" 1
212 1 62 GLU H 1 62 GLU HB2 3.710 . 4.270 2.515 2.330 2.628 . 0 0 "[ . 1 . 2]" 1
213 1 62 GLU H 1 62 GLU HB3 3.710 . 4.270 3.606 3.569 3.629 . 0 0 "[ . 1 . 2]" 1
214 1 62 GLU H 1 62 GLU HG2 3.860 . 4.440 3.081 2.137 3.525 . 0 0 "[ . 1 . 2]" 1
215 1 62 GLU H 1 62 GLU HG3 3.860 . 4.440 2.560 2.019 3.681 . 0 0 "[ . 1 . 2]" 1
216 1 62 GLU H 1 63 ARG H 3.440 . 3.960 2.746 2.542 2.881 . 0 0 "[ . 1 . 2]" 1
217 1 62 GLU HB2 1 63 ARG H 3.330 . 3.830 2.596 2.323 2.883 . 0 0 "[ . 1 . 2]" 1
218 1 62 GLU HB3 1 63 ARG H 3.330 . 3.830 3.606 3.280 3.837 0.007 19 0 "[ . 1 . 2]" 1
219 1 63 ARG H 1 63 ARG HB2 3.180 . 3.660 2.536 2.251 2.871 . 0 0 "[ . 1 . 2]" 1
220 1 63 ARG H 1 63 ARG HB3 3.180 . 3.660 2.532 2.239 2.819 . 0 0 "[ . 1 . 2]" 1
221 1 63 ARG H 1 64 LEU H 3.020 . 3.470 2.781 2.582 2.910 . 0 0 "[ . 1 . 2]" 1
222 1 64 LEU H 1 64 LEU HB2 2.640 . 3.040 2.486 2.384 2.600 . 0 0 "[ . 1 . 2]" 1
223 1 64 LEU H 1 64 LEU HB3 3.670 . 4.220 3.586 3.572 3.605 . 0 0 "[ . 1 . 2]" 1
224 1 64 LEU H 1 64 LEU HG 3.310 . 3.810 2.236 2.068 2.493 . 0 0 "[ . 1 . 2]" 1
225 1 64 LEU H 1 64 LEU MD2 4.030 . 4.630 3.362 3.117 3.623 . 0 0 "[ . 1 . 2]" 1
226 1 64 LEU H 1 64 LEU MD1 3.520 . 4.050 3.531 3.400 3.618 . 0 0 "[ . 1 . 2]" 1
227 1 64 LEU H 1 65 ALA H 3.260 . 3.750 2.829 2.721 2.956 . 0 0 "[ . 1 . 2]" 1
228 1 64 LEU HB2 1 65 ALA H 3.910 . 4.500 2.532 2.377 2.670 . 0 0 "[ . 1 . 2]" 1
229 1 64 LEU HG 1 65 ALA H 6.180 . 7.110 4.381 4.277 4.570 . 0 0 "[ . 1 . 2]" 1
230 1 65 ALA H 1 66 LYS H 3.490 . 4.010 2.811 2.698 2.963 . 0 0 "[ . 1 . 2]" 1
231 1 63 ARG HA 1 66 LYS H 3.810 . 4.380 3.566 3.193 3.823 . 0 0 "[ . 1 . 2]" 1
232 1 65 ALA MB 1 66 LYS H 3.050 . 3.510 2.387 2.235 2.840 . 0 0 "[ . 1 . 2]" 1
233 1 66 LYS H 1 66 LYS HB2 2.500 . 2.880 2.492 2.361 2.588 . 0 0 "[ . 1 . 2]" 1
234 1 66 LYS H 1 66 LYS HD2 6.000 . 6.900 4.402 3.458 4.829 . 0 0 "[ . 1 . 2]" 1
235 1 66 LYS H 1 66 LYS HD3 6.000 . 6.900 3.994 3.272 4.799 . 0 0 "[ . 1 . 2]" 1
236 1 66 LYS H 1 67 GLU H 3.100 . 3.570 2.700 2.560 2.937 . 0 0 "[ . 1 . 2]" 1
237 1 67 GLU H 1 67 GLU HB2 3.520 . 4.050 2.516 2.127 3.640 . 0 0 "[ . 1 . 2]" 1
238 1 67 GLU H 1 67 GLU HB3 3.520 . 4.050 2.920 2.417 3.625 . 0 0 "[ . 1 . 2]" 1
239 1 66 LYS HB2 1 67 GLU H 3.200 . 3.680 2.803 2.330 3.042 . 0 0 "[ . 1 . 2]" 1
240 1 67 GLU H 1 68 PHE H 3.100 . 3.570 2.755 2.538 2.897 . 0 0 "[ . 1 . 2]" 1
241 1 67 GLU HB2 1 68 PHE H 3.950 . 4.540 3.492 2.487 4.111 . 0 0 "[ . 1 . 2]" 1
242 1 67 GLU HB3 1 68 PHE H 3.950 . 4.540 2.987 2.315 4.337 . 0 0 "[ . 1 . 2]" 1
243 1 68 PHE H 1 68 PHE HB2 3.070 . 3.530 2.523 2.440 2.594 . 0 0 "[ . 1 . 2]" 1
244 1 68 PHE H 1 68 PHE HB3 3.870 . 4.450 3.694 3.652 3.748 . 0 0 "[ . 1 . 2]" 1
245 1 68 PHE H 1 69 ASN H 2.840 . 3.270 2.361 2.246 2.519 . 0 0 "[ . 1 . 2]" 1
246 1 68 PHE HB2 1 69 ASN H 5.770 . 6.640 3.697 3.464 3.950 . 0 0 "[ . 1 . 2]" 1
247 1 68 PHE HB3 1 69 ASN H 5.770 . 6.640 4.343 4.234 4.402 . 0 0 "[ . 1 . 2]" 1
248 1 69 ASN H 1 69 ASN HA 2.500 . 2.880 2.270 2.261 2.278 . 0 0 "[ . 1 . 2]" 1
249 1 69 ASN H 1 69 ASN HB3 4.120 . 4.740 3.920 3.585 4.107 . 0 0 "[ . 1 . 2]" 1
250 1 70 ILE HA 1 71 THR H 3.370 . 3.880 2.503 2.268 2.664 . 0 0 "[ . 1 . 2]" 1
251 1 70 ILE HB 1 71 THR H 3.410 . 3.920 2.236 1.946 2.743 . 0 0 "[ . 1 . 2]" 1
252 1 70 ILE MG 1 71 THR H 3.840 . 4.420 3.603 3.487 3.711 . 0 0 "[ . 1 . 2]" 1
253 1 70 ILE MD 1 71 THR H 5.770 . 6.640 3.986 2.786 4.701 . 0 0 "[ . 1 . 2]" 1
254 1 71 THR H 1 71 THR HB 3.490 . 4.010 2.793 2.516 3.735 . 0 0 "[ . 1 . 2]" 1
255 1 71 THR HA 1 72 VAL H 2.850 . 3.280 2.253 2.179 2.324 . 0 0 "[ . 1 . 2]" 1
256 1 71 THR HB 1 72 VAL H 3.640 . 4.190 3.755 2.566 4.234 0.044 6 0 "[ . 1 . 2]" 1
257 1 71 THR MG 1 72 VAL H 3.380 . 3.890 2.672 2.202 3.807 . 0 0 "[ . 1 . 2]" 1
258 1 72 VAL H 1 72 VAL HB 3.720 . 4.280 3.259 2.990 3.370 . 0 0 "[ . 1 . 2]" 1
259 1 72 VAL H 1 72 VAL MG2 4.260 . 4.900 3.978 3.897 4.019 . 0 0 "[ . 1 . 2]" 1
260 1 72 VAL H 1 72 VAL MG1 3.020 . 3.470 2.337 2.082 2.472 . 0 0 "[ . 1 . 2]" 1
261 1 72 VAL H 1 73 THR H 5.150 . 5.920 4.288 4.163 4.439 . 0 0 "[ . 1 . 2]" 1
262 1 72 VAL HA 1 73 THR H 2.870 . 3.300 2.169 2.116 2.235 . 0 0 "[ . 1 . 2]" 1
263 1 72 VAL HB 1 73 THR H 5.770 . 6.640 4.199 4.092 4.324 . 0 0 "[ . 1 . 2]" 1
264 1 72 VAL MG2 1 73 THR H 3.200 . 3.680 2.588 2.391 2.913 . 0 0 "[ . 1 . 2]" 1
265 1 73 THR H 1 73 THR MG 4.030 . 4.630 2.900 2.753 3.206 . 0 0 "[ . 1 . 2]" 1
266 1 76 ILE HA 1 77 ARG H 2.810 . 3.230 2.186 2.135 2.264 . 0 0 "[ . 1 . 2]" 1
267 1 76 ILE MG 1 77 ARG H 3.380 . 3.890 2.734 2.317 3.192 . 0 0 "[ . 1 . 2]" 1
268 1 76 ILE MD 1 77 ARG H 5.010 . 5.760 4.565 3.763 5.277 . 0 0 "[ . 1 . 2]" 1
269 1 77 ARG H 1 77 ARG HB2 3.860 . 4.440 3.093 2.311 3.953 . 0 0 "[ . 1 . 2]" 1
270 1 77 ARG H 1 77 ARG HB3 3.860 . 4.440 3.409 2.711 3.749 . 0 0 "[ . 1 . 2]" 1
271 1 77 ARG H 1 77 ARG HG2 4.160 . 4.780 2.959 2.053 4.096 . 0 0 "[ . 1 . 2]" 1
272 1 77 ARG H 1 77 ARG HG3 4.160 . 4.780 3.065 1.791 4.444 0.009 9 0 "[ . 1 . 2]" 1
273 1 77 ARG H 1 77 ARG HD2 4.900 . 5.640 4.650 3.331 5.237 . 0 0 "[ . 1 . 2]" 1
274 1 77 ARG H 1 77 ARG HD3 4.900 . 5.640 4.468 3.041 5.155 . 0 0 "[ . 1 . 2]" 1
275 1 78 LEU HA 1 79 GLU H 3.070 . 3.530 2.266 2.138 2.465 . 0 0 "[ . 1 . 2]" 1
276 1 78 LEU HG 1 79 GLU H 6.350 . 7.300 4.137 3.030 5.146 . 0 0 "[ . 1 . 2]" 1
277 1 78 LEU MD1 1 79 GLU H 5.770 . 6.640 3.695 1.799 5.016 0.001 2 0 "[ . 1 . 2]" 1
278 1 78 LEU MD2 1 79 GLU H 5.770 . 6.640 3.793 2.429 4.855 . 0 0 "[ . 1 . 2]" 1
279 1 79 GLU H 1 79 GLU HB2 3.720 . 4.280 2.639 2.256 3.621 . 0 0 "[ . 1 . 2]" 1
280 1 79 GLU H 1 79 GLU HB3 3.720 . 4.280 2.911 2.356 3.657 . 0 0 "[ . 1 . 2]" 1
281 1 74 TYR HA 1 75 THR H 3.100 . 3.570 2.170 2.103 2.352 . 0 0 "[ . 1 . 2]" 1
282 1 7 PHE H 1 42 LEU MD2 5.770 . 6.640 4.146 3.612 4.697 . 0 0 "[ . 1 . 2]" 1
283 1 7 PHE H 1 7 PHE QD 3.900 . 4.490 2.624 2.244 2.885 . 0 0 "[ . 1 . 2]" 1
284 1 8 ARG H 1 71 THR H 4.320 . 4.970 3.481 3.141 3.839 . 0 0 "[ . 1 . 2]" 1
285 1 9 GLY H 1 70 ILE MG 4.510 . 5.190 4.290 3.895 4.616 . 0 0 "[ . 1 . 2]" 1
286 1 10 ASP H 1 70 ILE MG 3.950 . 4.540 2.987 1.910 3.725 . 0 0 "[ . 1 . 2]" 1
287 1 17 LYS H 1 18 ALA MB 4.750 . 5.460 4.483 4.349 4.607 . 0 0 "[ . 1 . 2]" 1
288 1 19 LEU H 1 42 LEU MD2 5.020 . 5.770 3.644 3.115 4.333 . 0 0 "[ . 1 . 2]" 1
289 1 21 GLU H 1 64 LEU MD2 5.580 . 6.420 4.248 3.788 5.063 . 0 0 "[ . 1 . 2]" 1
290 1 22 MET H 1 64 LEU MD2 6.250 . 7.190 4.487 3.941 4.932 . 0 0 "[ . 1 . 2]" 1
291 1 20 LYS HA 1 23 ILE H 4.100 . 4.720 3.733 3.349 4.058 . 0 0 "[ . 1 . 2]" 1
292 1 21 GLU HA 1 24 ARG H 4.410 . 5.070 3.438 3.108 3.835 . 0 0 "[ . 1 . 2]" 1
293 1 24 ARG H 1 26 ALA H 3.970 . 4.570 4.180 4.044 4.522 . 0 0 "[ . 1 . 2]" 1
294 1 24 ARG HA 1 27 ARG H 4.530 . 5.210 3.965 3.567 4.435 . 0 0 "[ . 1 . 2]" 1
295 1 25 GLN HA 1 27 ARG H 5.060 . 5.820 4.290 3.932 4.643 . 0 0 "[ . 1 . 2]" 1
296 1 32 THR H 1 46 ILE MG 4.240 . 4.880 3.990 3.358 4.686 . 0 0 "[ . 1 . 2]" 1
297 1 36 THR H 1 44 ILE HA 5.770 . 6.640 3.868 3.609 4.170 . 0 0 "[ . 1 . 2]" 1
298 1 47 THR HA 1 49 VAL H 4.950 . 5.690 4.162 3.530 4.717 . 0 0 "[ . 1 . 2]" 1
299 1 55 LYS H 1 56 GLU H 3.110 . 3.580 2.775 2.620 2.904 . 0 0 "[ . 1 . 2]" 1
300 1 60 GLU HA 1 63 ARG H 3.930 . 4.520 3.326 2.921 3.823 . 0 0 "[ . 1 . 2]" 1
301 1 56 GLU H 1 57 LEU H 3.110 . 3.580 2.659 2.514 2.805 . 0 0 "[ . 1 . 2]" 1
302 1 68 PHE H 1 68 PHE QD 3.750 . 4.310 2.758 2.540 3.046 . 0 0 "[ . 1 . 2]" 1
303 1 69 ASN H 1 70 ILE H 3.010 . 3.460 2.754 2.665 3.030 . 0 0 "[ . 1 . 2]" 1
304 1 65 ALA MB 1 72 VAL H 4.180 . 4.810 3.418 2.852 3.843 . 0 0 "[ . 1 . 2]" 1
305 1 6 ARG H 1 73 THR H 3.860 . 4.440 3.202 2.812 3.720 . 0 0 "[ . 1 . 2]" 1
306 1 3 MET H 1 46 ILE H 4.070 . 4.680 3.264 2.727 3.693 . 0 0 "[ . 1 . 2]" 1
307 1 4 ASP HA 1 46 ILE H 4.140 . 4.760 3.624 2.852 4.319 . 0 0 "[ . 1 . 2]" 1
308 1 6 ARG H 1 74 TYR HA 5.770 . 6.640 3.263 2.536 3.953 . 0 0 "[ . 1 . 2]" 1
309 1 7 PHE H 1 43 GLU HA 4.140 . 4.760 3.801 3.072 4.382 . 0 0 "[ . 1 . 2]" 1
310 1 38 ASP H 1 41 ASP HA 5.150 . 5.920 4.975 4.714 5.251 . 0 0 "[ . 1 . 2]" 1
311 1 5 ILE HA 1 75 THR H 5.770 . 6.640 3.764 3.439 4.131 . 0 0 "[ . 1 . 2]" 1
312 1 74 TYR HB3 1 75 THR H 4.120 . 4.740 3.939 2.959 4.295 . 0 0 "[ . 1 . 2]" 1
313 1 74 TYR HB2 1 75 THR H 4.120 . 4.740 3.265 2.503 4.087 . 0 0 "[ . 1 . 2]" 1
314 1 74 TYR QD 1 75 THR H 5.770 . 6.640 4.343 3.380 4.724 . 0 0 "[ . 1 . 2]" 1
315 1 75 THR H 1 76 ILE MD 5.770 . 6.640 4.944 3.577 6.224 . 0 0 "[ . 1 . 2]" 1
316 1 36 THR H 1 42 LEU MD1 5.770 . 6.640 3.142 2.683 3.599 . 0 0 "[ . 1 . 2]" 1
317 1 69 ASN HA 1 70 ILE H 3.300 . 3.800 2.914 2.463 3.117 . 0 0 "[ . 1 . 2]" 1
318 1 70 ILE H 1 72 VAL HB 6.500 . 7.480 6.449 6.121 6.905 . 0 0 "[ . 1 . 2]" 1
319 1 65 ALA MB 1 70 ILE H 5.250 . 6.040 3.732 3.163 4.180 . 0 0 "[ . 1 . 2]" 1
320 1 70 ILE H 1 70 ILE MG 3.940 . 4.530 2.649 2.376 3.016 . 0 0 "[ . 1 . 2]" 1
321 1 3 MET H 1 46 ILE HB 4.080 . 4.690 3.670 3.124 4.029 . 0 0 "[ . 1 . 2]" 1
322 1 3 MET H 1 47 THR HA 4.280 . 4.920 3.668 3.250 4.213 . 0 0 "[ . 1 . 2]" 1
323 1 5 ILE H 1 6 ARG H 5.770 . 6.640 4.298 4.041 4.560 . 0 0 "[ . 1 . 2]" 1
324 1 4 ASP H 1 77 ARG H 5.600 . 6.440 4.354 3.646 5.130 . 0 0 "[ . 1 . 2]" 1
325 1 10 ASP H 1 71 THR H 5.580 . 6.420 5.799 4.972 6.477 0.057 8 0 "[ . 1 . 2]" 1
326 1 14 ALA H 1 68 PHE QE 5.070 . 5.830 4.697 3.801 5.874 0.044 12 0 "[ . 1 . 2]" 1
327 1 12 LEU HA 1 15 PHE H 4.600 . 5.290 3.820 3.185 4.523 . 0 0 "[ . 1 . 2]" 1
328 1 18 ALA MB 1 20 LYS H 5.770 . 6.640 4.532 4.330 4.787 . 0 0 "[ . 1 . 2]" 1
329 1 18 ALA HA 1 21 GLU H 4.470 . 5.140 3.814 3.530 4.216 . 0 0 "[ . 1 . 2]" 1
330 1 23 ILE H 1 25 GLN H 5.270 . 6.060 4.437 4.189 4.793 . 0 0 "[ . 1 . 2]" 1
331 1 23 ILE H 1 26 ALA H 5.680 . 6.530 4.721 4.527 5.025 . 0 0 "[ . 1 . 2]" 1
332 1 34 THR H 1 45 ARG H 4.630 . 5.320 3.367 3.067 3.733 . 0 0 "[ . 1 . 2]" 1
333 1 35 TYR QD 1 36 THR H 4.320 . 4.970 3.979 3.362 4.344 . 0 0 "[ . 1 . 2]" 1
334 1 35 TYR QD 1 37 LEU H 5.930 . 6.820 4.409 3.752 4.867 . 0 0 "[ . 1 . 2]" 1
335 1 38 ASP H 1 43 GLU H 4.490 . 5.160 4.311 3.359 5.134 . 0 0 "[ . 1 . 2]" 1
336 1 38 ASP H 1 41 ASP H 4.270 . 4.910 3.419 3.138 3.688 . 0 0 "[ . 1 . 2]" 1
337 1 38 ASP H 1 39 GLY H 3.630 . 4.170 3.854 3.522 4.239 0.069 1 0 "[ . 1 . 2]" 1
338 1 37 LEU MD1 1 39 GLY H 5.000 . 5.750 5.037 3.618 5.804 0.054 6 0 "[ . 1 . 2]" 1
339 1 7 PHE H 1 42 LEU H 4.040 . 4.650 3.369 2.848 4.050 . 0 0 "[ . 1 . 2]" 1
340 1 7 PHE QD 1 42 LEU H 5.770 . 6.640 5.141 4.551 5.548 . 0 0 "[ . 1 . 2]" 1
341 1 36 THR MG 1 43 GLU H 6.080 . 6.990 3.955 2.608 5.385 . 0 0 "[ . 1 . 2]" 1
342 1 6 ARG H 1 73 THR MG 6.500 . 7.480 5.135 4.601 5.518 . 0 0 "[ . 1 . 2]" 1
343 1 36 THR H 1 45 ARG H 4.950 . 5.690 5.027 4.549 5.456 . 0 0 "[ . 1 . 2]" 1
344 1 32 THR H 1 47 THR H 3.880 . 4.460 3.286 2.903 3.540 . 0 0 "[ . 1 . 2]" 1
345 1 34 THR H 1 47 THR H 5.150 . 5.920 4.644 3.949 5.120 . 0 0 "[ . 1 . 2]" 1
346 1 32 THR HB 1 47 THR H 5.020 . 5.770 3.704 2.940 4.544 . 0 0 "[ . 1 . 2]" 1
347 1 47 THR H 1 49 VAL H 6.180 . 7.110 5.601 4.526 6.409 . 0 0 "[ . 1 . 2]" 1
348 1 1 MET ME 1 49 VAL H 5.770 . 6.640 4.524 2.812 6.648 0.008 15 0 "[ . 1 . 2]" 1
349 1 51 GLU HA 1 53 VAL H 5.650 . 6.500 4.254 3.738 4.755 . 0 0 "[ . 1 . 2]" 1
350 1 53 VAL HA 1 56 GLU H 3.990 . 4.590 3.320 3.031 3.630 . 0 0 "[ . 1 . 2]" 1
351 1 56 GLU H 1 56 GLU HB2 2.750 . 3.160 2.504 2.361 2.630 . 0 0 "[ . 1 . 2]" 1
352 1 55 LYS HB3 1 56 GLU H 4.260 . 4.900 3.742 3.459 4.093 . 0 0 "[ . 1 . 2]" 1
353 1 56 GLU H 1 57 LEU HG 5.700 . 6.560 4.381 4.157 4.700 . 0 0 "[ . 1 . 2]" 1
354 1 52 GLN HA 1 55 LYS H 4.700 . 5.400 4.330 3.716 5.200 . 0 0 "[ . 1 . 2]" 1
355 1 53 VAL HA 1 55 LYS H 4.960 . 5.700 4.060 3.657 4.650 . 0 0 "[ . 1 . 2]" 1
356 1 55 LYS H 1 57 LEU H 4.310 . 4.960 4.298 4.033 4.566 . 0 0 "[ . 1 . 2]" 1
357 1 57 LEU H 1 58 ALA H 3.740 . 4.300 2.764 2.680 2.951 . 0 0 "[ . 1 . 2]" 1
358 1 56 GLU HB2 1 57 LEU H 3.170 . 3.650 2.591 2.270 2.870 . 0 0 "[ . 1 . 2]" 1
359 1 53 VAL HB 1 57 LEU H 6.380 . 7.340 5.228 4.833 5.528 . 0 0 "[ . 1 . 2]" 1
360 1 57 LEU H 1 57 LEU HB2 3.050 . 3.510 2.517 2.478 2.566 . 0 0 "[ . 1 . 2]" 1
361 1 57 LEU H 1 57 LEU HG 3.200 . 3.680 2.245 2.100 2.356 . 0 0 "[ . 1 . 2]" 1
362 1 64 LEU HB3 1 65 ALA H 4.280 . 4.920 3.516 3.350 3.685 . 0 0 "[ . 1 . 2]" 1
363 1 57 LEU H 1 57 LEU MD1 3.990 . 4.590 3.640 3.552 3.699 . 0 0 "[ . 1 . 2]" 1
364 1 57 LEU H 1 59 LYS H 5.200 . 5.980 4.214 4.007 4.457 . 0 0 "[ . 1 . 2]" 1
365 1 56 GLU HA 1 59 LYS H 3.700 . 4.260 3.500 3.058 3.973 . 0 0 "[ . 1 . 2]" 1
366 1 58 ALA H 1 60 GLU H 3.630 . 4.170 4.125 3.989 4.224 0.054 1 0 "[ . 1 . 2]" 1
367 1 60 GLU H 1 62 GLU H 4.270 . 4.910 4.245 4.018 4.546 . 0 0 "[ . 1 . 2]" 1
368 1 61 ALA HA 1 64 LEU H 4.150 . 4.770 3.491 3.204 3.958 . 0 0 "[ . 1 . 2]" 1
369 1 64 LEU H 1 66 LYS H 5.080 . 5.840 4.405 3.995 4.679 . 0 0 "[ . 1 . 2]" 1
370 1 7 PHE HZ 1 64 LEU H 5.770 . 6.640 5.124 4.660 5.823 . 0 0 "[ . 1 . 2]" 1
371 1 66 LYS H 1 70 ILE H 6.500 . 7.480 5.061 4.728 5.487 . 0 0 "[ . 1 . 2]" 1
372 1 72 VAL H 1 73 THR MG 4.700 . 5.400 3.976 3.739 4.237 . 0 0 "[ . 1 . 2]" 1
373 1 7 PHE HA 1 73 THR H 4.290 . 4.930 3.850 3.252 4.312 . 0 0 "[ . 1 . 2]" 1
374 1 73 THR HA 1 74 TYR H 3.260 . 3.750 2.263 2.167 2.555 . 0 0 "[ . 1 . 2]" 1
375 1 6 ARG H 1 75 THR H 5.050 . 5.810 4.888 4.108 5.545 . 0 0 "[ . 1 . 2]" 1
376 1 78 LEU H 1 79 GLU H 4.900 . 5.640 4.415 4.007 4.638 . 0 0 "[ . 1 . 2]" 1
377 1 36 THR HB 1 43 GLU H 5.770 . 6.640 5.127 2.984 5.673 . 0 0 "[ . 1 . 2]" 1
378 1 53 VAL MG2 1 57 LEU H 5.770 . 6.640 5.527 5.221 5.721 . 0 0 "[ . 1 . 2]" 1
379 1 11 ASP H 1 14 ALA H 5.770 . 6.640 5.228 4.379 5.773 . 0 0 "[ . 1 . 2]" 1
380 1 78 LEU H 1 78 LEU HB3 3.740 . 4.300 3.023 2.516 3.684 . 0 0 "[ . 1 . 2]" 1
381 1 78 LEU H 1 78 LEU HB2 3.740 . 4.300 3.090 2.434 3.950 . 0 0 "[ . 1 . 2]" 1
382 1 35 TYR H 1 35 TYR QD 4.730 . 5.440 2.869 2.579 3.229 . 0 0 "[ . 1 . 2]" 1
383 1 34 THR HB 1 35 TYR H 4.230 . 4.860 3.712 2.734 4.120 . 0 0 "[ . 1 . 2]" 1
384 1 34 THR MG 1 35 TYR H 4.610 . 5.300 3.735 3.326 4.177 . 0 0 "[ . 1 . 2]" 1
385 1 35 TYR H 1 36 THR MG 5.210 . 5.990 4.657 3.795 6.048 0.058 7 0 "[ . 1 . 2]" 1
386 1 52 GLN HE21 1 52 GLN HG3 3.310 . 3.810 2.551 2.210 2.933 . 0 0 "[ . 1 . 2]" 1
387 1 52 GLN HE21 1 52 GLN HG2 3.310 . 3.810 2.709 2.241 3.495 . 0 0 "[ . 1 . 2]" 1
388 1 50 PRO HB2 1 52 GLN HE22 5.580 . 6.420 5.215 4.225 6.435 0.015 12 0 "[ . 1 . 2]" 1
389 1 1 MET HA 1 1 MET HG2 4.080 . 4.690 2.847 2.458 3.219 . 0 0 "[ . 1 . 2]" 1
390 1 1 MET HA 1 1 MET HG3 4.080 . 4.690 2.991 2.462 3.780 . 0 0 "[ . 1 . 2]" 1
391 1 5 ILE MG 1 7 PHE H 6.500 . 7.480 3.940 3.394 4.515 . 0 0 "[ . 1 . 2]" 1
392 1 3 MET ME 1 5 ILE HG12 3.960 . 4.550 2.632 1.873 3.914 . 0 0 "[ . 1 . 2]" 1
393 1 3 MET ME 1 5 ILE HG13 3.960 . 4.550 3.134 2.512 3.664 . 0 0 "[ . 1 . 2]" 1
394 1 5 ILE H 1 5 ILE MD 4.750 . 5.460 3.987 3.351 4.349 . 0 0 "[ . 1 . 2]" 1
395 1 5 ILE HB 1 5 ILE MD 3.490 . 4.010 2.481 2.393 3.243 . 0 0 "[ . 1 . 2]" 1
396 1 5 ILE MD 1 5 ILE MG 3.090 . 3.550 1.950 1.906 2.020 . 0 0 "[ . 1 . 2]" 1
397 1 5 ILE MD 1 6 ARG H 6.500 . 7.480 5.163 3.945 5.454 . 0 0 "[ . 1 . 2]" 1
398 1 7 PHE HB2 1 8 ARG H 4.430 . 5.090 4.100 3.814 4.329 . 0 0 "[ . 1 . 2]" 1
399 1 8 ARG HD2 1 9 GLY H 6.500 . 7.480 5.016 2.455 5.769 . 0 0 "[ . 1 . 2]" 1
400 1 8 ARG HD3 1 9 GLY H 6.500 . 7.480 5.146 2.491 5.676 . 0 0 "[ . 1 . 2]" 1
401 1 64 LEU HA 1 64 LEU MD2 3.700 . 4.260 2.043 1.960 2.113 . 0 0 "[ . 1 . 2]" 1
402 1 12 LEU H 1 12 LEU HB3 4.100 . 4.720 2.557 2.411 3.284 . 0 0 "[ . 1 . 2]" 1
403 1 12 LEU HB2 1 13 GLU H 4.520 . 5.200 3.847 3.714 4.051 . 0 0 "[ . 1 . 2]" 1
404 1 12 LEU H 1 12 LEU HG 4.630 . 5.320 4.499 4.411 4.692 . 0 0 "[ . 1 . 2]" 1
405 1 12 LEU HB3 1 12 LEU HG 2.700 . 3.110 2.480 2.458 2.506 . 0 0 "[ . 1 . 2]" 1
406 1 12 LEU HG 1 13 GLU H 4.500 . 5.180 3.707 3.231 4.238 . 0 0 "[ . 1 . 2]" 1
407 1 12 LEU HB3 1 12 LEU MD1 3.230 . 3.710 3.214 3.211 3.218 . 0 0 "[ . 1 . 2]" 1
408 1 12 LEU HB2 1 12 LEU MD1 3.220 . 3.700 2.388 2.359 2.430 . 0 0 "[ . 1 . 2]" 1
409 1 12 LEU H 1 12 LEU MD2 4.740 . 5.450 4.338 4.244 5.030 . 0 0 "[ . 1 . 2]" 1
410 1 12 LEU HA 1 12 LEU MD2 4.020 . 4.620 3.891 3.852 3.920 . 0 0 "[ . 1 . 2]" 1
411 1 12 LEU HB2 1 12 LEU MD2 3.420 . 3.930 2.412 2.368 2.450 . 0 0 "[ . 1 . 2]" 1
412 1 13 GLU HA 1 13 GLU HG2 3.990 . 4.590 3.301 2.325 4.271 . 0 0 "[ . 1 . 2]" 1
413 1 13 GLU HA 1 13 GLU HG3 3.990 . 4.590 2.912 2.456 3.728 . 0 0 "[ . 1 . 2]" 1
414 1 13 GLU HB2 1 14 ALA H 4.420 . 5.080 3.266 2.760 4.093 . 0 0 "[ . 1 . 2]" 1
415 1 57 LEU HA 1 60 GLU HB3 3.750 . 4.310 3.095 2.630 4.374 0.064 9 0 "[ . 1 . 2]" 1
416 1 13 GLU HG2 1 14 ALA H 6.500 . 7.480 4.769 3.041 5.365 . 0 0 "[ . 1 . 2]" 1
417 1 13 GLU HG3 1 14 ALA H 6.500 . 7.480 4.500 2.131 5.179 . 0 0 "[ . 1 . 2]" 1
418 1 16 GLU H 1 16 GLU HB2 3.600 . 4.140 2.800 2.427 3.628 . 0 0 "[ . 1 . 2]" 1
419 1 16 GLU H 1 16 GLU HB3 3.600 . 4.140 2.706 2.466 3.618 . 0 0 "[ . 1 . 2]" 1
420 1 17 LYS HA 1 17 LYS HG2 4.030 . 4.630 3.032 2.575 3.413 . 0 0 "[ . 1 . 2]" 1
421 1 17 LYS HA 1 17 LYS HG3 4.030 . 4.630 3.743 3.609 3.823 . 0 0 "[ . 1 . 2]" 1
422 1 20 LYS HA 1 20 LYS HD2 3.290 . 3.780 2.214 1.983 3.859 0.079 1 0 "[ . 1 . 2]" 1
423 1 17 LYS HA 1 17 LYS HD3 4.290 . 4.930 2.390 1.866 3.731 . 0 0 "[ . 1 . 2]" 1
424 1 20 LYS HA 1 20 LYS HE2 6.500 . 7.480 4.533 4.273 5.316 . 0 0 "[ . 1 . 2]" 1
425 1 20 LYS HA 1 20 LYS HE3 6.500 . 7.480 4.538 4.221 4.848 . 0 0 "[ . 1 . 2]" 1
426 1 17 LYS HB2 1 17 LYS HG2 2.940 . 3.380 2.456 2.383 2.492 . 0 0 "[ . 1 . 2]" 1
427 1 17 LYS HB2 1 17 LYS HG3 2.940 . 3.380 2.416 2.382 2.479 . 0 0 "[ . 1 . 2]" 1
428 1 17 LYS HA 1 17 LYS HD2 4.290 . 4.930 2.831 1.991 3.887 . 0 0 "[ . 1 . 2]" 1
429 1 17 LYS HB3 1 17 LYS HD2 3.520 . 4.050 2.670 2.431 3.573 . 0 0 "[ . 1 . 2]" 1
430 1 17 LYS HB3 1 17 LYS HD3 3.520 . 4.050 3.185 2.475 3.751 . 0 0 "[ . 1 . 2]" 1
431 1 19 LEU HA 1 19 LEU HG 3.750 . 4.310 3.169 3.097 3.262 . 0 0 "[ . 1 . 2]" 1
432 1 19 LEU HA 1 19 LEU MD1 3.240 . 3.730 2.125 2.065 2.229 . 0 0 "[ . 1 . 2]" 1
433 1 16 GLU HA 1 19 LEU HB3 4.190 . 4.820 2.922 2.244 3.723 . 0 0 "[ . 1 . 2]" 1
434 1 19 LEU H 1 19 LEU HG 5.130 . 5.900 4.480 4.429 4.514 . 0 0 "[ . 1 . 2]" 1
435 1 16 GLU HA 1 19 LEU MD2 4.650 . 5.350 3.502 2.810 4.406 . 0 0 "[ . 1 . 2]" 1
436 1 20 LYS HA 1 23 ILE HB 3.520 . 4.050 2.933 2.322 3.373 . 0 0 "[ . 1 . 2]" 1
437 1 20 LYS HA 1 20 LYS HG3 3.440 . 3.960 3.008 2.283 3.286 . 0 0 "[ . 1 . 2]" 1
438 1 20 LYS HB2 1 20 LYS HD3 3.650 . 4.200 2.483 2.254 2.746 . 0 0 "[ . 1 . 2]" 1
439 1 20 LYS HB3 1 20 LYS HD3 3.650 . 4.200 3.640 2.816 3.753 . 0 0 "[ . 1 . 2]" 1
440 1 20 LYS H 1 20 LYS HG3 4.880 . 5.610 4.498 4.338 4.565 . 0 0 "[ . 1 . 2]" 1
441 1 20 LYS HG3 1 21 GLU H 5.090 . 5.850 3.893 3.054 4.848 . 0 0 "[ . 1 . 2]" 1
442 1 20 LYS HD2 1 20 LYS HG3 2.500 . 2.880 2.430 2.307 2.505 . 0 0 "[ . 1 . 2]" 1
443 1 20 LYS H 1 20 LYS HD2 5.230 . 6.010 4.584 4.215 4.860 . 0 0 "[ . 1 . 2]" 1
444 1 20 LYS H 1 20 LYS HD3 5.480 . 6.300 4.550 4.025 5.018 . 0 0 "[ . 1 . 2]" 1
445 1 20 LYS H 1 20 LYS HE2 6.500 . 7.480 6.553 6.291 6.836 . 0 0 "[ . 1 . 2]" 1
446 1 20 LYS H 1 20 LYS HE3 6.500 . 7.480 6.641 6.191 6.971 . 0 0 "[ . 1 . 2]" 1
447 1 21 GLU HB3 1 22 MET H 4.560 . 5.240 3.517 2.470 3.811 . 0 0 "[ . 1 . 2]" 1
448 1 22 MET H 1 22 MET HB3 4.080 . 4.690 3.613 3.591 3.629 . 0 0 "[ . 1 . 2]" 1
449 1 23 ILE HA 1 23 ILE MG 2.880 . 3.310 2.451 2.406 2.519 . 0 0 "[ . 1 . 2]" 1
450 1 23 ILE HA 1 23 ILE HG13 3.750 . 4.310 3.033 2.947 3.076 . 0 0 "[ . 1 . 2]" 1
451 1 23 ILE HA 1 23 ILE HG12 2.940 . 3.380 2.502 2.449 2.551 . 0 0 "[ . 1 . 2]" 1
452 1 23 ILE H 1 23 ILE MG 4.390 . 5.050 3.785 3.776 3.796 . 0 0 "[ . 1 . 2]" 1
453 1 23 ILE MG 1 27 ARG HG2 4.320 . 4.970 3.004 2.198 3.371 . 0 0 "[ . 1 . 2]" 1
454 1 23 ILE HG12 1 23 ILE MG 2.500 . 2.880 2.429 2.409 2.462 . 0 0 "[ . 1 . 2]" 1
455 1 23 ILE HG13 1 23 ILE MG 3.350 . 3.850 3.217 3.213 3.221 . 0 0 "[ . 1 . 2]" 1
456 1 23 ILE HA 1 23 ILE MD 3.960 . 4.550 3.822 3.791 3.847 . 0 0 "[ . 1 . 2]" 1
457 1 23 ILE HB 1 23 ILE MD 3.310 . 3.810 2.459 2.441 2.488 . 0 0 "[ . 1 . 2]" 1
458 1 23 ILE MD 1 23 ILE MG 2.500 . 2.880 1.930 1.893 1.971 . 0 0 "[ . 1 . 2]" 1
459 1 24 ARG HA 1 24 ARG HG3 3.850 . 4.430 2.831 2.516 3.606 . 0 0 "[ . 1 . 2]" 1
460 1 24 ARG HB3 1 24 ARG HD3 4.020 . 4.620 2.999 2.350 3.750 . 0 0 "[ . 1 . 2]" 1
461 1 24 ARG HB2 1 24 ARG HD2 4.020 . 4.620 3.044 2.427 3.746 . 0 0 "[ . 1 . 2]" 1
462 1 24 ARG HB3 1 24 ARG HD2 4.020 . 4.620 3.135 2.317 3.811 . 0 0 "[ . 1 . 2]" 1
463 1 24 ARG HB2 1 24 ARG HD3 4.020 . 4.620 3.043 2.399 3.911 . 0 0 "[ . 1 . 2]" 1
464 1 25 GLN HB2 1 26 ALA H 4.250 . 4.890 2.669 2.396 2.893 . 0 0 "[ . 1 . 2]" 1
465 1 25 GLN HB3 1 26 ALA H 4.250 . 4.890 3.580 3.337 3.871 . 0 0 "[ . 1 . 2]" 1
466 1 25 GLN H 1 25 GLN HG2 4.530 . 5.210 3.103 2.162 4.072 . 0 0 "[ . 1 . 2]" 1
467 1 25 GLN HG2 1 26 ALA H 5.420 . 6.230 4.718 4.145 5.203 . 0 0 "[ . 1 . 2]" 1
468 1 27 ARG HA 1 27 ARG HG2 3.940 . 4.530 2.715 2.388 4.134 . 0 0 "[ . 1 . 2]" 1
469 1 27 ARG HA 1 27 ARG HG3 3.940 . 4.530 3.260 2.818 3.801 . 0 0 "[ . 1 . 2]" 1
470 1 28 LYS HA 1 28 LYS HG2 3.930 . 4.520 3.165 2.508 3.782 . 0 0 "[ . 1 . 2]" 1
471 1 28 LYS HA 1 28 LYS HG3 3.930 . 4.520 3.020 2.435 3.830 . 0 0 "[ . 1 . 2]" 1
472 1 30 ALA MB 1 31 GLY H 4.230 . 4.860 3.594 3.130 3.739 . 0 0 "[ . 1 . 2]" 1
473 1 32 THR HA 1 33 VAL H 3.090 . 3.550 2.192 2.143 2.273 . 0 0 "[ . 1 . 2]" 1
474 1 32 THR HB 1 33 VAL H 4.130 . 4.750 4.162 3.917 4.327 . 0 0 "[ . 1 . 2]" 1
475 1 32 THR HA 1 32 THR MG 2.860 . 3.290 2.414 2.358 2.475 . 0 0 "[ . 1 . 2]" 1
476 1 75 THR HA 1 75 THR MG 3.140 . 3.610 2.413 2.371 2.458 . 0 0 "[ . 1 . 2]" 1
477 1 32 THR MG 1 33 VAL H 3.480 . 4.000 2.639 2.257 2.930 . 0 0 "[ . 1 . 2]" 1
478 1 33 VAL HA 1 33 VAL MG1 3.430 . 3.940 2.405 2.375 2.437 . 0 0 "[ . 1 . 2]" 1
479 1 33 VAL H 1 33 VAL HB 3.760 . 4.320 2.634 2.517 2.777 . 0 0 "[ . 1 . 2]" 1
480 1 33 VAL HA 1 33 VAL MG2 3.310 . 3.810 2.410 2.367 2.456 . 0 0 "[ . 1 . 2]" 1
481 1 33 VAL MG2 1 34 THR H 6.430 . 7.390 4.108 3.920 4.214 . 0 0 "[ . 1 . 2]" 1
482 1 34 THR HA 1 34 THR MG 3.280 . 3.770 3.073 2.440 3.229 . 0 0 "[ . 1 . 2]" 1
483 1 36 THR HA 1 36 THR MG 3.310 . 3.810 2.795 2.317 3.229 . 0 0 "[ . 1 . 2]" 1
484 1 73 THR HA 1 73 THR MG 3.440 . 3.960 2.395 2.341 2.456 . 0 0 "[ . 1 . 2]" 1
485 1 37 LEU HG 1 38 ASP H 5.200 . 5.980 4.965 3.217 5.719 . 0 0 "[ . 1 . 2]" 1
486 1 37 LEU HA 1 37 LEU MD1 3.300 . 3.800 1.976 1.897 2.152 . 0 0 "[ . 1 . 2]" 1
487 1 37 LEU HA 1 37 LEU MD2 3.840 . 4.420 2.940 2.627 3.911 . 0 0 "[ . 1 . 2]" 1
488 1 37 LEU HB2 1 37 LEU MD2 3.260 . 3.750 2.375 2.333 2.423 . 0 0 "[ . 1 . 2]" 1
489 1 37 LEU HB3 1 37 LEU MD2 3.260 . 3.750 3.041 2.318 3.219 . 0 0 "[ . 1 . 2]" 1
490 1 39 GLY HA2 1 40 ASN H 3.320 . 3.820 3.472 3.325 3.572 . 0 0 "[ . 1 . 2]" 1
491 1 42 LEU HB3 1 42 LEU HG 2.780 . 3.200 2.475 2.434 2.508 . 0 0 "[ . 1 . 2]" 1
492 1 42 LEU HA 1 42 LEU MD1 3.440 . 3.960 2.191 2.105 2.235 . 0 0 "[ . 1 . 2]" 1
493 1 44 ILE HA 1 44 ILE MG 3.480 . 4.000 2.396 2.353 2.449 . 0 0 "[ . 1 . 2]" 1
494 1 5 ILE HB 1 44 ILE HB 3.290 . 3.780 2.529 1.881 3.227 . 0 0 "[ . 1 . 2]" 1
495 1 44 ILE MG 1 45 ARG H 4.280 . 4.920 2.958 2.397 3.170 . 0 0 "[ . 1 . 2]" 1
496 1 45 ARG HG2 1 46 ILE H 4.700 . 5.400 3.621 2.670 4.894 . 0 0 "[ . 1 . 2]" 1
497 1 46 ILE HA 1 46 ILE MG 3.220 . 3.700 2.377 2.331 2.429 . 0 0 "[ . 1 . 2]" 1
498 1 46 ILE HA 1 46 ILE HG12 3.830 . 4.400 2.569 2.488 2.625 . 0 0 "[ . 1 . 2]" 1
499 1 33 VAL MG1 1 46 ILE HA 3.990 . 4.590 3.467 2.847 3.863 . 0 0 "[ . 1 . 2]" 1
500 1 33 VAL MG2 1 46 ILE HA 4.230 . 4.860 2.942 2.218 3.458 . 0 0 "[ . 1 . 2]" 1
501 1 46 ILE HB 1 46 ILE MD 3.250 . 3.740 2.453 2.440 2.474 . 0 0 "[ . 1 . 2]" 1
502 1 46 ILE HB 1 47 THR H 4.700 . 5.400 4.213 3.903 4.350 . 0 0 "[ . 1 . 2]" 1
503 1 46 ILE HG12 1 46 ILE MG 2.500 . 2.880 2.421 2.383 2.443 . 0 0 "[ . 1 . 2]" 1
504 1 33 VAL MG2 1 46 ILE MG 2.770 . 3.190 2.116 1.755 2.630 0.045 9 0 "[ . 1 . 2]" 1
505 1 33 VAL HA 1 46 ILE HG12 4.310 . 4.960 3.204 2.697 3.974 . 0 0 "[ . 1 . 2]" 1
506 1 33 VAL MG1 1 46 ILE HG12 3.090 . 3.550 2.301 1.999 2.837 . 0 0 "[ . 1 . 2]" 1
507 1 46 ILE HA 1 46 ILE HG13 4.230 . 4.860 3.117 3.024 3.190 . 0 0 "[ . 1 . 2]" 1
508 1 46 ILE HG13 1 46 ILE MG 3.240 . 3.730 3.218 3.215 3.223 . 0 0 "[ . 1 . 2]" 1
509 1 46 ILE HA 1 46 ILE MD 4.170 . 4.800 3.850 3.808 3.874 . 0 0 "[ . 1 . 2]" 1
510 1 44 ILE HB 1 44 ILE MD 3.390 . 3.900 2.434 2.401 2.466 . 0 0 "[ . 1 . 2]" 1
511 1 46 ILE MD 1 46 ILE MG 2.500 . 2.880 1.946 1.911 1.974 . 0 0 "[ . 1 . 2]" 1
512 1 47 THR HA 1 47 THR MG 3.200 . 3.680 2.403 2.336 2.506 . 0 0 "[ . 1 . 2]" 1
513 1 47 THR HB 1 48 GLY H 3.860 . 4.440 4.215 3.990 4.393 . 0 0 "[ . 1 . 2]" 1
514 1 36 THR H 1 36 THR MG 3.280 . 3.770 2.639 2.166 3.888 0.118 7 0 "[ . 1 . 2]" 1
515 1 49 VAL H 1 49 VAL MG1 4.540 . 5.220 2.771 2.199 3.138 . 0 0 "[ . 1 . 2]" 1
516 1 50 PRO HA 1 51 GLU HA 5.000 . 5.750 4.323 4.214 4.410 . 0 0 "[ . 1 . 2]" 1
517 1 50 PRO HB2 1 51 GLU HA 5.120 . 5.890 4.914 4.509 5.125 . 0 0 "[ . 1 . 2]" 1
518 1 50 PRO HB2 1 52 GLN H 5.440 . 6.260 3.062 2.653 3.694 . 0 0 "[ . 1 . 2]" 1
519 1 52 GLN HA 1 52 GLN HG2 4.050 . 4.660 3.761 3.662 3.810 . 0 0 "[ . 1 . 2]" 1
520 1 52 GLN HA 1 52 GLN HG3 4.050 . 4.660 3.774 3.729 3.869 . 0 0 "[ . 1 . 2]" 1
521 1 52 GLN H 1 52 GLN HG3 4.640 . 5.340 3.341 3.082 3.702 . 0 0 "[ . 1 . 2]" 1
522 1 53 VAL HB 1 54 ARG H 4.970 . 5.720 3.090 2.688 3.553 . 0 0 "[ . 1 . 2]" 1
523 1 53 VAL MG1 1 54 ARG H 6.430 . 7.390 3.827 3.494 4.153 . 0 0 "[ . 1 . 2]" 1
524 1 54 ARG HA 1 54 ARG HG2 4.170 . 4.800 3.330 2.453 3.988 . 0 0 "[ . 1 . 2]" 1
525 1 54 ARG HA 1 54 ARG HG3 4.170 . 4.800 3.065 2.626 3.741 . 0 0 "[ . 1 . 2]" 1
526 1 54 ARG HA 1 57 LEU H 4.920 . 5.660 3.639 3.285 4.004 . 0 0 "[ . 1 . 2]" 1
527 1 55 LYS HA 1 55 LYS HG2 4.200 . 4.830 3.140 2.508 3.801 . 0 0 "[ . 1 . 2]" 1
528 1 24 ARG HA 1 24 ARG HG2 3.850 . 4.430 3.173 2.424 3.842 . 0 0 "[ . 1 . 2]" 1
529 1 55 LYS HA 1 55 LYS HG3 4.200 . 4.830 3.455 2.867 3.848 . 0 0 "[ . 1 . 2]" 1
530 1 55 LYS HB2 1 55 LYS HD2 4.040 . 4.650 3.160 2.377 3.778 . 0 0 "[ . 1 . 2]" 1
531 1 55 LYS HB2 1 55 LYS HD3 4.040 . 4.650 3.124 2.408 3.805 . 0 0 "[ . 1 . 2]" 1
532 1 55 LYS HB3 1 55 LYS HD2 4.040 . 4.650 3.079 2.403 3.828 . 0 0 "[ . 1 . 2]" 1
533 1 55 LYS HB3 1 55 LYS HD3 4.040 . 4.650 3.018 2.502 3.718 . 0 0 "[ . 1 . 2]" 1
534 1 55 LYS H 1 55 LYS HE2 6.500 . 7.480 4.892 3.777 5.716 . 0 0 "[ . 1 . 2]" 1
535 1 55 LYS H 1 55 LYS HE3 6.500 . 7.480 5.056 3.557 6.053 . 0 0 "[ . 1 . 2]" 1
536 1 56 GLU HA 1 56 GLU HB3 2.870 . 3.300 2.477 2.415 2.552 . 0 0 "[ . 1 . 2]" 1
537 1 57 LEU HA 1 57 LEU HG 3.910 . 4.500 3.132 3.087 3.176 . 0 0 "[ . 1 . 2]" 1
538 1 57 LEU HA 1 57 LEU MD2 2.990 . 3.440 2.020 1.975 2.077 . 0 0 "[ . 1 . 2]" 1
539 1 57 LEU HB2 1 57 LEU MD1 3.300 . 3.800 2.350 2.317 2.368 . 0 0 "[ . 1 . 2]" 1
540 1 57 LEU HB2 1 58 ALA H 5.990 . 6.890 2.570 2.363 2.799 . 0 0 "[ . 1 . 2]" 1
541 1 57 LEU HB3 1 57 LEU MD2 3.080 . 3.540 2.405 2.362 2.436 . 0 0 "[ . 1 . 2]" 1
542 1 1 MET ME 1 51 GLU HA 3.200 . 3.680 2.495 1.815 3.688 0.008 6 0 "[ . 1 . 2]" 1
543 1 59 LYS HA 1 59 LYS HG3 3.720 . 4.280 2.641 2.381 3.707 . 0 0 "[ . 1 . 2]" 1
544 1 59 LYS HA 1 59 LYS HG2 3.640 . 4.190 3.192 2.506 3.516 . 0 0 "[ . 1 . 2]" 1
545 1 12 LEU HG 1 13 GLU HA 4.160 . 4.780 3.676 3.289 4.157 . 0 0 "[ . 1 . 2]" 1
546 1 59 LYS HA 1 59 LYS HE2 6.500 . 7.480 4.869 3.821 6.046 . 0 0 "[ . 1 . 2]" 1
547 1 59 LYS HA 1 59 LYS HE3 6.500 . 7.480 5.023 4.259 5.700 . 0 0 "[ . 1 . 2]" 1
548 1 59 LYS HG3 1 60 GLU H 5.420 . 6.230 4.731 4.392 4.964 . 0 0 "[ . 1 . 2]" 1
549 1 59 LYS H 1 59 LYS HG2 4.790 . 5.510 4.457 4.323 4.535 . 0 0 "[ . 1 . 2]" 1
550 1 60 GLU H 1 60 GLU HG3 4.670 . 5.370 4.425 3.651 4.563 . 0 0 "[ . 1 . 2]" 1
551 1 61 ALA H 1 61 ALA MB 3.310 . 3.810 2.239 2.223 2.249 . 0 0 "[ . 1 . 2]" 1
552 1 62 GLU HA 1 62 GLU HG2 3.810 . 4.380 2.633 2.452 2.974 . 0 0 "[ . 1 . 2]" 1
553 1 62 GLU HA 1 62 GLU HG3 3.810 . 4.380 3.305 3.008 3.806 . 0 0 "[ . 1 . 2]" 1
554 1 63 ARG HA 1 63 ARG HG2 3.750 . 4.310 3.153 2.397 3.829 . 0 0 "[ . 1 . 2]" 1
555 1 63 ARG HA 1 63 ARG HG3 3.750 . 4.310 2.978 2.542 3.696 . 0 0 "[ . 1 . 2]" 1
556 1 12 LEU HA 1 12 LEU MD1 3.170 . 3.650 2.081 1.982 2.176 . 0 0 "[ . 1 . 2]" 1
557 1 18 ALA HA 1 64 LEU MD2 3.370 . 3.880 1.989 1.783 2.450 0.017 7 0 "[ . 1 . 2]" 1
558 1 64 LEU HB3 1 64 LEU MD2 3.040 . 3.500 2.345 2.275 2.390 . 0 0 "[ . 1 . 2]" 1
559 1 64 LEU HB2 1 64 LEU MD1 3.320 . 3.820 2.314 2.272 2.355 . 0 0 "[ . 1 . 2]" 1
560 1 65 ALA H 1 65 ALA MB 3.380 . 3.890 2.237 2.227 2.246 . 0 0 "[ . 1 . 2]" 1
561 1 66 LYS HA 1 66 LYS HD2 5.320 . 6.120 3.625 2.048 4.910 . 0 0 "[ . 1 . 2]" 1
562 1 66 LYS HA 1 66 LYS HD3 5.320 . 6.120 3.215 1.925 4.712 . 0 0 "[ . 1 . 2]" 1
563 1 66 LYS HA 1 66 LYS HE2 6.040 . 6.950 4.625 1.871 6.146 . 0 0 "[ . 1 . 2]" 1
564 1 66 LYS HA 1 66 LYS HE3 6.040 . 6.950 4.551 3.458 6.168 . 0 0 "[ . 1 . 2]" 1
565 1 66 LYS HA 1 66 LYS HG2 4.130 . 4.750 2.854 2.408 3.192 . 0 0 "[ . 1 . 2]" 1
566 1 66 LYS HA 1 66 LYS HG3 4.130 . 4.750 3.499 2.962 3.789 . 0 0 "[ . 1 . 2]" 1
567 1 66 LYS HB3 1 66 LYS HD2 3.580 . 4.120 3.000 2.473 3.758 . 0 0 "[ . 1 . 2]" 1
568 1 66 LYS HB3 1 66 LYS HD3 3.580 . 4.120 3.017 2.449 3.761 . 0 0 "[ . 1 . 2]" 1
569 1 67 GLU HA 1 67 GLU HG2 4.100 . 4.720 3.391 2.503 3.824 . 0 0 "[ . 1 . 2]" 1
570 1 67 GLU HA 1 67 GLU HG3 4.100 . 4.720 3.161 2.435 3.821 . 0 0 "[ . 1 . 2]" 1
571 1 69 ASN H 1 69 ASN HB2 4.120 . 4.740 3.390 3.049 3.706 . 0 0 "[ . 1 . 2]" 1
572 1 70 ILE MD 1 70 ILE MG 3.360 . 3.860 2.071 1.926 3.199 . 0 0 "[ . 1 . 2]" 1
573 1 71 THR H 1 71 THR MG 3.840 . 4.420 3.595 2.560 3.842 . 0 0 "[ . 1 . 2]" 1
574 1 71 THR HA 1 71 THR MG 3.260 . 3.750 2.379 2.314 2.447 . 0 0 "[ . 1 . 2]" 1
575 1 72 VAL MG1 1 73 THR H 4.460 . 5.130 3.924 3.800 4.136 . 0 0 "[ . 1 . 2]" 1
576 1 76 ILE HA 1 76 ILE MG 3.000 . 3.450 2.395 2.335 2.551 . 0 0 "[ . 1 . 2]" 1
577 1 76 ILE HA 1 76 ILE HG12 4.090 . 4.700 2.774 2.390 3.235 . 0 0 "[ . 1 . 2]" 1
578 1 76 ILE HA 1 76 ILE HG13 4.090 . 4.700 3.376 3.014 3.787 . 0 0 "[ . 1 . 2]" 1
579 1 76 ILE HB 1 77 ARG H 3.960 . 4.550 4.191 3.931 4.382 . 0 0 "[ . 1 . 2]" 1
580 1 76 ILE HG12 1 76 ILE MG 3.440 . 3.960 2.757 2.432 3.219 . 0 0 "[ . 1 . 2]" 1
581 1 76 ILE HG13 1 76 ILE MG 3.440 . 3.960 2.876 2.360 3.222 . 0 0 "[ . 1 . 2]" 1
582 1 3 MET HB3 1 76 ILE MD 3.990 . 4.590 3.980 2.913 4.651 0.061 19 0 "[ . 1 . 2]" 1
583 1 76 ILE MD 1 76 ILE MG 2.500 . 2.880 1.968 1.911 2.038 . 0 0 "[ . 1 . 2]" 1
584 1 8 ARG HB2 1 8 ARG HD2 4.150 . 4.770 2.948 2.400 3.711 . 0 0 "[ . 1 . 2]" 1
585 1 8 ARG HB2 1 8 ARG HD3 4.150 . 4.770 3.053 2.475 3.776 . 0 0 "[ . 1 . 2]" 1
586 1 78 LEU HA 1 78 LEU HG 3.990 . 4.590 3.359 2.466 3.775 . 0 0 "[ . 1 . 2]" 1
587 1 78 LEU HA 1 78 LEU MD1 4.110 . 4.730 3.305 1.970 4.145 . 0 0 "[ . 1 . 2]" 1
588 1 78 LEU HB3 1 78 LEU MD1 3.480 . 4.000 2.633 2.291 3.223 . 0 0 "[ . 1 . 2]" 1
589 1 78 LEU HB2 1 78 LEU MD1 3.480 . 4.000 2.540 2.248 3.224 . 0 0 "[ . 1 . 2]" 1
590 1 78 LEU HA 1 78 LEU MD2 4.110 . 4.730 3.104 1.948 4.097 . 0 0 "[ . 1 . 2]" 1
591 1 78 LEU HB2 1 78 LEU MD2 3.480 . 4.000 2.819 2.300 3.221 . 0 0 "[ . 1 . 2]" 1
592 1 78 LEU HB3 1 78 LEU MD2 3.480 . 4.000 2.551 2.239 3.214 . 0 0 "[ . 1 . 2]" 1
593 1 1 MET HA 1 76 ILE MG 5.240 . 6.030 4.914 2.877 5.916 . 0 0 "[ . 1 . 2]" 1
594 1 1 MET HG2 1 76 ILE MG 4.910 . 5.650 3.702 2.670 5.132 . 0 0 "[ . 1 . 2]" 1
595 1 1 MET HG3 1 76 ILE MG 4.910 . 5.650 4.112 2.673 5.716 0.066 15 0 "[ . 1 . 2]" 1
596 1 1 MET HB2 1 49 VAL MG2 4.790 . 5.510 4.149 1.818 5.529 0.019 12 0 "[ . 1 . 2]" 1
597 1 2 GLU HA 1 47 THR HA 3.940 . 4.530 2.650 2.353 3.274 . 0 0 "[ . 1 . 2]" 1
598 1 3 MET HA 1 76 ILE MD 3.590 . 4.130 3.625 2.464 4.212 0.082 6 0 "[ . 1 . 2]" 1
599 1 3 MET HB2 1 46 ILE MD 4.900 . 5.640 5.029 4.615 5.666 0.026 15 0 "[ . 1 . 2]" 1
600 1 3 MET HB3 1 46 ILE MD 4.900 . 5.640 4.288 3.273 5.650 0.010 18 0 "[ . 1 . 2]" 1
601 1 3 MET HG3 1 5 ILE MD 4.420 . 5.080 3.694 2.670 4.245 . 0 0 "[ . 1 . 2]" 1
602 1 4 ASP HA 1 45 ARG HA 3.750 . 4.310 2.406 1.983 3.181 . 0 0 "[ . 1 . 2]" 1
603 1 4 ASP HA 1 5 ILE HB 6.500 . 7.480 4.750 4.623 4.840 . 0 0 "[ . 1 . 2]" 1
604 1 5 ILE MG 1 61 ALA MB 3.990 . 4.590 2.437 1.926 2.945 . 0 0 "[ . 1 . 2]" 1
605 1 3 MET HG2 1 5 ILE MD 4.420 . 5.080 3.319 1.951 5.088 0.008 12 0 "[ . 1 . 2]" 1
606 1 5 ILE MD 1 22 MET ME 3.850 . 4.430 2.061 1.790 2.989 0.010 17 0 "[ . 1 . 2]" 1
607 1 5 ILE MD 1 74 TYR HB3 5.530 . 6.360 3.835 2.141 5.045 . 0 0 "[ . 1 . 2]" 1
608 1 5 ILE MG 1 7 PHE HZ 4.130 . 4.750 3.073 2.775 3.468 . 0 0 "[ . 1 . 2]" 1
609 1 6 ARG HA 1 42 LEU H 4.890 . 5.620 4.515 3.819 5.128 . 0 0 "[ . 1 . 2]" 1
610 1 5 ILE MD 1 74 TYR QD 4.900 . 5.640 4.383 2.963 5.454 . 0 0 "[ . 1 . 2]" 1
611 1 5 ILE MD 1 7 PHE HZ 5.100 . 5.870 4.142 3.638 5.025 . 0 0 "[ . 1 . 2]" 1
612 1 6 ARG HA 1 7 PHE QD 6.430 . 7.390 3.916 3.428 4.430 . 0 0 "[ . 1 . 2]" 1
613 1 7 PHE HA 1 72 VAL HA 5.040 . 5.800 2.539 2.271 2.767 . 0 0 "[ . 1 . 2]" 1
614 1 7 PHE HA 1 7 PHE QD 4.180 . 4.810 2.928 2.716 3.133 . 0 0 "[ . 1 . 2]" 1
615 1 8 ARG HG2 1 71 THR HB 6.500 . 7.480 4.303 3.125 5.840 . 0 0 "[ . 1 . 2]" 1
616 1 8 ARG HG3 1 71 THR HB 6.500 . 7.480 5.128 3.162 6.845 . 0 0 "[ . 1 . 2]" 1
617 1 9 GLY HA3 1 70 ILE MG 4.200 . 4.830 2.134 1.795 3.227 0.005 12 0 "[ . 1 . 2]" 1
618 1 15 PHE HA 1 42 LEU MD2 6.430 . 7.390 2.857 2.053 4.060 . 0 0 "[ . 1 . 2]" 1
619 1 7 PHE QE 1 18 ALA MB 4.380 . 5.040 3.122 2.857 3.591 . 0 0 "[ . 1 . 2]" 1
620 1 7 PHE HZ 1 18 ALA MB 4.960 . 5.700 3.348 2.811 3.926 . 0 0 "[ . 1 . 2]" 1
621 1 19 LEU HA 1 22 MET HB3 5.340 . 6.140 4.625 4.222 5.418 . 0 0 "[ . 1 . 2]" 1
622 1 18 ALA MB 1 64 LEU MD1 3.530 . 4.060 2.167 1.834 2.510 . 0 0 "[ . 1 . 2]" 1
623 1 18 ALA MB 1 19 LEU HB2 6.290 . 7.230 3.993 3.801 4.121 . 0 0 "[ . 1 . 2]" 1
624 1 18 ALA MB 1 42 LEU HB3 6.500 . 7.480 5.297 4.386 5.991 . 0 0 "[ . 1 . 2]" 1
625 1 19 LEU HG 1 44 ILE MD 5.560 . 6.390 4.316 4.116 4.708 . 0 0 "[ . 1 . 2]" 1
626 1 19 LEU MD1 1 44 ILE MD 3.140 . 3.610 2.147 1.966 2.410 . 0 0 "[ . 1 . 2]" 1
627 1 19 LEU MD2 1 33 VAL MG1 5.730 . 6.590 4.789 4.204 5.772 . 0 0 "[ . 1 . 2]" 1
628 1 19 LEU MD2 1 44 ILE MD 5.990 . 6.890 3.871 3.446 4.260 . 0 0 "[ . 1 . 2]" 1
629 1 19 LEU HA 1 44 ILE MD 3.660 . 4.210 2.522 2.028 2.957 . 0 0 "[ . 1 . 2]" 1
630 1 19 LEU MD2 1 35 TYR QE 4.490 . 5.160 2.958 2.575 3.676 . 0 0 "[ . 1 . 2]" 1
631 1 19 LEU MD1 1 35 TYR QD 4.180 . 4.810 2.792 2.533 3.211 . 0 0 "[ . 1 . 2]" 1
632 1 20 LYS HA 1 23 ILE MG 4.300 . 4.950 4.240 3.650 4.635 . 0 0 "[ . 1 . 2]" 1
633 1 19 LEU MD1 1 20 LYS HA 6.430 . 7.390 4.735 4.423 5.001 . 0 0 "[ . 1 . 2]" 1
634 1 21 GLU HG3 1 64 LEU MD2 4.090 . 4.700 2.529 1.779 3.913 0.021 4 0 "[ . 1 . 2]" 1
635 1 21 GLU HB2 1 64 LEU MD1 4.750 . 5.460 2.911 2.296 4.913 . 0 0 "[ . 1 . 2]" 1
636 1 21 GLU HB3 1 64 LEU MD1 4.750 . 5.460 3.635 2.946 4.536 . 0 0 "[ . 1 . 2]" 1
637 1 22 MET HB2 1 46 ILE MD 5.140 . 5.910 3.951 3.138 4.634 . 0 0 "[ . 1 . 2]" 1
638 1 22 MET HB3 1 46 ILE MD 3.920 . 4.510 2.593 1.815 3.079 . 0 0 "[ . 1 . 2]" 1
639 1 22 MET ME 1 46 ILE MD 2.730 . 3.140 2.162 1.840 3.158 0.018 14 0 "[ . 1 . 2]" 1
640 1 5 ILE MG 1 22 MET ME 3.850 . 4.430 3.319 2.515 4.130 . 0 0 "[ . 1 . 2]" 1
641 1 22 MET ME 1 64 LEU MD1 3.640 . 4.190 3.699 2.822 4.076 . 0 0 "[ . 1 . 2]" 1
642 1 22 MET ME 1 57 LEU HB3 4.290 . 4.930 3.028 1.978 4.210 . 0 0 "[ . 1 . 2]" 1
643 1 22 MET ME 1 61 ALA MB 3.330 . 3.830 3.250 2.539 3.762 . 0 0 "[ . 1 . 2]" 1
644 1 3 MET ME 1 22 MET ME 4.320 . 4.970 3.846 2.922 4.716 . 0 0 "[ . 1 . 2]" 1
645 1 5 ILE HB 1 22 MET ME 4.660 . 5.360 3.824 2.394 5.320 . 0 0 "[ . 1 . 2]" 1
646 1 22 MET HB3 1 22 MET ME 3.420 . 3.930 2.128 1.939 2.755 . 0 0 "[ . 1 . 2]" 1
647 1 22 MET ME 1 22 MET HG2 3.790 . 4.360 3.131 2.405 3.422 . 0 0 "[ . 1 . 2]" 1
648 1 22 MET ME 1 22 MET HG3 3.790 . 4.360 2.787 2.493 3.422 . 0 0 "[ . 1 . 2]" 1
649 1 19 LEU HA 1 22 MET ME 6.430 . 7.390 5.436 4.230 5.892 . 0 0 "[ . 1 . 2]" 1
650 1 22 MET ME 1 57 LEU HA 4.590 . 5.280 3.670 2.630 5.320 0.040 20 0 "[ . 1 . 2]" 1
651 1 22 MET ME 1 61 ALA HA 4.180 . 4.810 4.321 3.634 4.798 . 0 0 "[ . 1 . 2]" 1
652 1 22 MET HA 1 22 MET ME 3.720 . 4.280 2.860 1.788 4.002 0.012 14 0 "[ . 1 . 2]" 1
653 1 7 PHE HZ 1 22 MET ME 4.310 . 4.960 4.106 3.660 4.629 . 0 0 "[ . 1 . 2]" 1
654 1 22 MET H 1 22 MET ME 5.270 . 6.060 4.460 3.752 4.715 . 0 0 "[ . 1 . 2]" 1
655 1 22 MET ME 1 61 ALA H 5.670 . 6.520 4.205 3.147 5.179 . 0 0 "[ . 1 . 2]" 1
656 1 20 LYS HA 1 23 ILE MD 3.720 . 4.280 3.054 2.370 3.656 . 0 0 "[ . 1 . 2]" 1
657 1 23 ILE MG 1 27 ARG HD2 4.510 . 5.190 2.808 2.067 4.711 . 0 0 "[ . 1 . 2]" 1
658 1 23 ILE MG 1 27 ARG HD3 4.510 . 5.190 3.440 2.405 5.232 0.042 3 0 "[ . 1 . 2]" 1
659 1 19 LEU HG 1 23 ILE HB 5.680 . 6.530 4.389 4.085 4.907 . 0 0 "[ . 1 . 2]" 1
660 1 19 LEU HG 1 23 ILE MG 5.010 . 5.760 4.869 4.643 5.342 . 0 0 "[ . 1 . 2]" 1
661 1 20 LYS HD2 1 23 ILE MG 5.190 . 5.970 4.215 3.085 6.013 0.043 1 0 "[ . 1 . 2]" 1
662 1 20 LYS HD3 1 23 ILE MG 6.000 . 6.900 5.384 4.042 6.800 . 0 0 "[ . 1 . 2]" 1
663 1 19 LEU HG 1 23 ILE MD 3.480 . 4.000 2.272 1.972 2.652 . 0 0 "[ . 1 . 2]" 1
664 1 19 LEU MD1 1 23 ILE MD 3.590 . 4.130 2.390 2.099 3.180 . 0 0 "[ . 1 . 2]" 1
665 1 19 LEU MD2 1 23 ILE MD 4.770 . 5.490 2.858 2.503 3.347 . 0 0 "[ . 1 . 2]" 1
666 1 20 LYS HD2 1 23 ILE MD 6.500 . 7.480 3.862 2.755 4.895 . 0 0 "[ . 1 . 2]" 1
667 1 20 LYS HD3 1 23 ILE MD 6.500 . 7.480 4.573 3.559 6.052 . 0 0 "[ . 1 . 2]" 1
668 1 23 ILE MG 1 24 ARG HA 4.480 . 5.150 3.468 3.318 3.621 . 0 0 "[ . 1 . 2]" 1
669 1 21 GLU HA 1 24 ARG HB3 4.060 . 4.670 2.537 2.080 3.517 . 0 0 "[ . 1 . 2]" 1
670 1 25 GLN HB3 1 57 LEU MD2 4.570 . 5.260 2.988 2.298 3.528 . 0 0 "[ . 1 . 2]" 1
671 1 25 GLN HB2 1 57 LEU MD2 4.570 . 5.260 3.197 2.283 3.885 . 0 0 "[ . 1 . 2]" 1
672 1 26 ALA MB 1 33 VAL MG2 2.710 . 3.120 2.034 1.795 2.327 0.005 9 0 "[ . 1 . 2]" 1
673 1 26 ALA MB 1 49 VAL MG1 4.810 . 5.530 3.851 3.065 5.341 . 0 0 "[ . 1 . 2]" 1
674 1 23 ILE HG13 1 26 ALA MB 5.260 . 6.050 4.797 4.332 5.493 . 0 0 "[ . 1 . 2]" 1
675 1 26 ALA MB 1 33 VAL HB 4.340 . 4.990 3.935 2.982 4.338 . 0 0 "[ . 1 . 2]" 1
676 1 23 ILE HA 1 26 ALA MB 3.520 . 4.050 2.302 1.978 2.965 . 0 0 "[ . 1 . 2]" 1
677 1 29 PHE HB2 1 49 VAL MG1 4.800 . 5.520 3.586 2.732 4.562 . 0 0 "[ . 1 . 2]" 1
678 1 29 PHE HB3 1 49 VAL MG1 4.800 . 5.520 3.974 2.632 5.275 . 0 0 "[ . 1 . 2]" 1
679 1 2 GLU HG2 1 47 THR MG 4.870 . 5.600 2.658 1.801 4.458 . 0 0 "[ . 1 . 2]" 1
680 1 2 GLU HG3 1 47 THR MG 4.870 . 5.600 2.888 2.105 3.873 . 0 0 "[ . 1 . 2]" 1
681 1 2 GLU HB2 1 47 THR MG 4.770 . 5.490 4.261 2.530 5.393 . 0 0 "[ . 1 . 2]" 1
682 1 2 GLU HB3 1 47 THR MG 4.770 . 5.490 4.228 3.869 4.836 . 0 0 "[ . 1 . 2]" 1
683 1 33 VAL MG1 1 46 ILE HG13 3.900 . 4.490 3.284 2.967 3.663 . 0 0 "[ . 1 . 2]" 1
684 1 33 VAL MG2 1 46 ILE HG13 3.860 . 4.440 3.673 3.395 4.248 . 0 0 "[ . 1 . 2]" 1
685 1 23 ILE HA 1 33 VAL MG2 3.690 . 4.240 2.820 1.784 4.235 0.016 17 0 "[ . 1 . 2]" 1
686 1 23 ILE HA 1 33 VAL MG1 4.720 . 5.430 3.595 2.995 4.212 . 0 0 "[ . 1 . 2]" 1
687 1 33 VAL HA 1 46 ILE MG 6.440 . 7.410 3.476 3.029 3.975 . 0 0 "[ . 1 . 2]" 1
688 1 33 VAL HB 1 46 ILE HG12 4.240 . 4.880 4.499 4.230 4.910 0.030 11 0 "[ . 1 . 2]" 1
689 1 19 LEU MD1 1 33 VAL MG1 4.210 . 4.840 3.012 2.305 4.022 . 0 0 "[ . 1 . 2]" 1
690 1 33 VAL MG2 1 46 ILE HG12 3.110 . 3.580 2.090 1.789 2.678 0.011 17 0 "[ . 1 . 2]" 1
691 1 33 VAL MG1 1 34 THR HA 6.430 . 7.390 3.570 3.181 3.905 . 0 0 "[ . 1 . 2]" 1
692 1 33 VAL MG1 1 35 TYR QD 4.000 . 4.600 3.065 2.601 3.714 . 0 0 "[ . 1 . 2]" 1
693 1 34 THR HA 1 35 TYR H 3.480 . 4.000 2.338 2.201 2.514 . 0 0 "[ . 1 . 2]" 1
694 1 32 THR MG 1 33 VAL HA 6.500 . 7.480 3.737 3.383 4.120 . 0 0 "[ . 1 . 2]" 1
695 1 33 VAL HA 1 34 THR MG 6.500 . 7.480 3.727 3.466 3.822 . 0 0 "[ . 1 . 2]" 1
696 1 34 THR MG 1 44 ILE MG 6.500 . 7.480 4.697 4.124 5.694 . 0 0 "[ . 1 . 2]" 1
697 1 46 ILE MG 1 47 THR MG 6.500 . 7.480 4.989 4.810 5.117 . 0 0 "[ . 1 . 2]" 1
698 1 35 TYR QE 1 37 LEU HB2 6.500 . 7.480 5.598 3.777 6.425 . 0 0 "[ . 1 . 2]" 1
699 1 35 TYR QE 1 37 LEU HB3 6.500 . 7.480 6.638 4.453 7.515 0.035 9 0 "[ . 1 . 2]" 1
700 1 35 TYR QD 1 37 LEU HG 6.060 . 6.970 5.277 4.335 6.943 . 0 0 "[ . 1 . 2]" 1
701 1 35 TYR QE 1 37 LEU HG 6.420 . 7.380 5.604 4.485 7.431 0.051 1 0 "[ . 1 . 2]" 1
702 1 35 TYR QD 1 37 LEU MD1 4.540 . 5.220 4.330 3.738 5.230 0.010 20 0 "[ . 1 . 2]" 1
703 1 37 LEU HB2 1 42 LEU MD1 4.760 . 5.470 4.139 1.954 4.944 . 0 0 "[ . 1 . 2]" 1
704 1 37 LEU HB3 1 42 LEU MD1 4.760 . 5.470 4.437 3.472 4.946 . 0 0 "[ . 1 . 2]" 1
705 1 40 ASN HA 1 41 ASP HA 6.430 . 7.390 4.555 4.272 4.684 . 0 0 "[ . 1 . 2]" 1
706 1 8 ARG HA 1 41 ASP HA 4.870 . 5.600 2.664 2.236 3.463 . 0 0 "[ . 1 . 2]" 1
707 1 7 PHE HB2 1 44 ILE MD 5.200 . 5.980 4.060 3.653 4.631 . 0 0 "[ . 1 . 2]" 1
708 1 22 MET HB2 1 44 ILE MD 5.180 . 5.960 3.392 2.750 4.330 . 0 0 "[ . 1 . 2]" 1
709 1 35 TYR HB2 1 44 ILE MG 4.820 . 5.540 4.032 3.493 4.631 . 0 0 "[ . 1 . 2]" 1
710 1 22 MET HB3 1 44 ILE MG 6.010 . 6.910 3.525 2.434 4.687 . 0 0 "[ . 1 . 2]" 1
711 1 22 MET HB2 1 44 ILE MG 3.920 . 4.510 3.576 2.779 4.232 . 0 0 "[ . 1 . 2]" 1
712 1 5 ILE MG 1 44 ILE HB 5.190 . 5.970 3.586 3.117 4.068 . 0 0 "[ . 1 . 2]" 1
713 1 19 LEU MD1 1 44 ILE MG 3.650 . 4.200 2.828 2.450 3.399 . 0 0 "[ . 1 . 2]" 1
714 1 42 LEU MD2 1 44 ILE HG12 4.870 . 5.600 3.269 2.766 3.614 . 0 0 "[ . 1 . 2]" 1
715 1 42 LEU MD2 1 44 ILE MG 6.430 . 7.390 4.493 4.224 4.744 . 0 0 "[ . 1 . 2]" 1
716 1 42 LEU MD2 1 44 ILE MD 3.880 . 4.460 2.050 1.890 2.264 . 0 0 "[ . 1 . 2]" 1
717 1 46 ILE HB 1 49 VAL MG1 4.790 . 5.510 3.487 2.763 4.834 . 0 0 "[ . 1 . 2]" 1
718 1 46 ILE HB 1 49 VAL MG2 5.090 . 5.850 3.678 3.033 4.373 . 0 0 "[ . 1 . 2]" 1
719 1 46 ILE MG 1 49 VAL MG1 3.030 . 3.480 1.990 1.797 2.599 0.003 3 0 "[ . 1 . 2]" 1
720 1 26 ALA MB 1 46 ILE MG 3.090 . 3.550 2.886 2.106 3.608 0.058 9 0 "[ . 1 . 2]" 1
721 1 26 ALA MB 1 46 ILE MD 3.440 . 3.960 2.908 1.926 3.974 0.014 10 0 "[ . 1 . 2]" 1
722 1 46 ILE MD 1 49 VAL MG1 4.610 . 5.300 3.407 3.155 3.907 . 0 0 "[ . 1 . 2]" 1
723 1 46 ILE MD 1 49 VAL MG2 5.210 . 5.990 4.245 3.377 4.836 . 0 0 "[ . 1 . 2]" 1
724 1 54 ARG HD2 1 76 ILE MG 5.550 . 6.380 3.097 1.778 5.693 0.022 7 0 "[ . 1 . 2]" 1
725 1 54 ARG HD3 1 76 ILE MG 5.550 . 6.380 3.194 2.090 4.314 . 0 0 "[ . 1 . 2]" 1
726 1 68 PHE QD 1 70 ILE MG 4.280 . 4.920 4.126 3.823 4.860 . 0 0 "[ . 1 . 2]" 1
727 1 34 THR MG 1 46 ILE HA 4.260 . 4.900 4.425 3.841 4.980 0.080 12 0 "[ . 1 . 2]" 1
728 1 32 THR HB 1 47 THR HB 3.970 . 4.570 2.662 1.973 3.486 . 0 0 "[ . 1 . 2]" 1
729 1 33 VAL MG1 1 34 THR MG 4.970 . 5.720 4.243 4.066 4.552 . 0 0 "[ . 1 . 2]" 1
730 1 32 THR MG 1 33 VAL MG2 5.370 . 6.180 4.308 4.134 4.474 . 0 0 "[ . 1 . 2]" 1
731 1 49 VAL HB 1 57 LEU MD2 6.200 . 7.130 4.856 3.671 5.841 . 0 0 "[ . 1 . 2]" 1
732 1 49 VAL MG2 1 57 LEU MD1 3.170 . 3.650 2.644 1.974 3.545 . 0 0 "[ . 1 . 2]" 1
733 1 49 VAL MG1 1 57 LEU MD1 3.090 . 3.550 2.269 1.841 2.952 . 0 0 "[ . 1 . 2]" 1
734 1 1 MET HB3 1 49 VAL MG2 4.790 . 5.510 3.294 2.393 4.307 . 0 0 "[ . 1 . 2]" 1
735 1 49 VAL MG1 1 54 ARG HA 6.210 . 7.140 5.045 4.313 5.850 . 0 0 "[ . 1 . 2]" 1
736 1 53 VAL MG2 1 54 ARG HA 6.500 . 7.480 5.511 5.350 5.591 . 0 0 "[ . 1 . 2]" 1
737 1 29 PHE QD 1 49 VAL MG1 4.210 . 4.840 3.755 2.834 4.820 . 0 0 "[ . 1 . 2]" 1
738 1 29 PHE QE 1 53 VAL MG2 4.670 . 5.370 2.732 2.175 3.403 . 0 0 "[ . 1 . 2]" 1
739 1 49 VAL HB 1 50 PRO HD2 4.420 . 5.080 2.661 2.172 3.152 . 0 0 "[ . 1 . 2]" 1
740 1 49 VAL HB 1 50 PRO HD3 4.420 . 5.080 3.768 3.336 4.146 . 0 0 "[ . 1 . 2]" 1
741 1 49 VAL MG1 1 50 PRO HD2 4.070 . 4.680 3.300 2.795 3.766 . 0 0 "[ . 1 . 2]" 1
742 1 49 VAL MG1 1 50 PRO HD3 4.070 . 4.680 3.817 3.367 4.149 . 0 0 "[ . 1 . 2]" 1
743 1 49 VAL MG2 1 50 PRO HA 5.310 . 6.110 4.606 4.378 4.781 . 0 0 "[ . 1 . 2]" 1
744 1 50 PRO HA 1 53 VAL MG2 5.840 . 6.720 5.019 4.415 5.422 . 0 0 "[ . 1 . 2]" 1
745 1 50 PRO HB3 1 53 VAL MG2 4.170 . 4.800 4.128 3.365 4.785 . 0 0 "[ . 1 . 2]" 1
746 1 50 PRO HB2 1 53 VAL MG2 3.640 . 4.190 3.050 1.887 4.231 0.041 12 0 "[ . 1 . 2]" 1
747 1 51 GLU HA 1 54 ARG H 4.820 . 5.540 3.437 2.913 3.996 . 0 0 "[ . 1 . 2]" 1
748 1 62 GLU HA 1 65 ALA MB 3.370 . 3.880 2.801 2.535 3.188 . 0 0 "[ . 1 . 2]" 1
749 1 53 VAL MG2 1 56 GLU HB2 6.430 . 7.390 4.491 3.944 4.887 . 0 0 "[ . 1 . 2]" 1
750 1 53 VAL HA 1 56 GLU HB2 5.860 . 6.740 3.214 2.695 4.068 . 0 0 "[ . 1 . 2]" 1
751 1 53 VAL MG1 1 57 LEU HB2 4.780 . 5.500 4.048 3.592 4.337 . 0 0 "[ . 1 . 2]" 1
752 1 53 VAL MG2 1 57 LEU HG 6.080 . 6.990 4.783 4.523 5.041 . 0 0 "[ . 1 . 2]" 1
753 1 54 ARG HA 1 57 LEU MD1 4.420 . 5.080 2.666 1.999 3.435 . 0 0 "[ . 1 . 2]" 1
754 1 49 VAL MG2 1 54 ARG HA 4.790 . 5.510 3.809 2.986 5.123 . 0 0 "[ . 1 . 2]" 1
755 1 49 VAL MG2 1 54 ARG HB2 4.660 . 5.360 3.734 2.612 5.463 0.103 15 0 "[ . 1 . 2]" 1
756 1 49 VAL MG2 1 54 ARG HG2 6.420 . 7.380 5.198 3.062 6.822 . 0 0 "[ . 1 . 2]" 1
757 1 49 VAL MG2 1 54 ARG HG3 6.420 . 7.380 4.784 3.077 7.101 . 0 0 "[ . 1 . 2]" 1
758 1 55 LYS HB2 1 56 GLU H 4.260 . 4.900 2.937 2.302 3.897 . 0 0 "[ . 1 . 2]" 1
759 1 55 LYS HA 1 58 ALA MB 3.390 . 3.900 2.973 2.450 3.634 . 0 0 "[ . 1 . 2]" 1
760 1 53 VAL MG1 1 57 LEU HG 4.630 . 5.320 2.002 1.777 2.238 0.023 8 0 "[ . 1 . 2]" 1
761 1 53 VAL MG1 1 57 LEU MD2 4.240 . 4.880 2.722 2.499 3.055 . 0 0 "[ . 1 . 2]" 1
762 1 22 MET ME 1 57 LEU MD1 4.440 . 5.110 3.790 2.701 4.867 . 0 0 "[ . 1 . 2]" 1
763 1 57 LEU HA 1 60 GLU HB2 3.750 . 4.310 3.386 2.176 4.167 . 0 0 "[ . 1 . 2]" 1
764 1 54 ARG HA 1 57 LEU HB3 4.880 . 5.610 4.464 3.821 5.113 . 0 0 "[ . 1 . 2]" 1
765 1 54 ARG HA 1 57 LEU MD2 6.430 . 7.390 4.852 4.351 5.494 . 0 0 "[ . 1 . 2]" 1
766 1 57 LEU H 1 57 LEU HB3 3.980 . 4.580 3.603 3.592 3.613 . 0 0 "[ . 1 . 2]" 1
767 1 58 ALA MB 1 59 LYS HA 5.530 . 6.360 3.869 3.778 3.949 . 0 0 "[ . 1 . 2]" 1
768 1 5 ILE MD 1 61 ALA MB 3.660 . 4.210 2.418 1.797 3.230 0.003 7 0 "[ . 1 . 2]" 1
769 1 61 ALA MB 1 72 VAL MG2 3.350 . 3.850 2.278 1.766 2.877 0.034 12 0 "[ . 1 . 2]" 1
770 1 61 ALA HA 1 64 LEU HB3 4.680 . 5.380 4.317 3.948 5.053 . 0 0 "[ . 1 . 2]" 1
771 1 61 ALA HA 1 64 LEU MD1 3.920 . 4.510 2.155 1.792 2.541 0.008 6 0 "[ . 1 . 2]" 1
772 1 5 ILE MD 1 61 ALA HA 6.150 . 7.070 4.374 3.643 5.310 . 0 0 "[ . 1 . 2]" 1
773 1 61 ALA HA 1 72 VAL MG2 6.430 . 7.390 3.905 3.280 4.614 . 0 0 "[ . 1 . 2]" 1
774 1 3 MET ME 1 61 ALA MB 4.140 . 4.760 3.591 2.382 4.443 . 0 0 "[ . 1 . 2]" 1
775 1 61 ALA HA 1 64 LEU HB2 3.840 . 4.420 2.782 2.449 3.521 . 0 0 "[ . 1 . 2]" 1
776 1 61 ALA MB 1 62 GLU HG3 6.500 . 7.480 3.789 3.157 5.266 . 0 0 "[ . 1 . 2]" 1
777 1 7 PHE HZ 1 61 ALA MB 3.690 . 4.240 2.932 2.556 3.602 . 0 0 "[ . 1 . 2]" 1
778 1 7 PHE HZ 1 61 ALA HA 3.760 . 4.320 2.539 2.029 3.282 . 0 0 "[ . 1 . 2]" 1
779 1 62 GLU HA 1 72 VAL MG1 3.290 . 3.780 2.529 1.947 3.235 . 0 0 "[ . 1 . 2]" 1
780 1 61 ALA MB 1 62 GLU HG2 6.500 . 7.480 4.039 3.414 4.417 . 0 0 "[ . 1 . 2]" 1
781 1 56 GLU HB2 1 57 LEU HG 4.070 . 4.680 3.533 3.168 3.960 . 0 0 "[ . 1 . 2]" 1
782 1 65 ALA HA 1 70 ILE H 4.750 . 5.460 3.198 2.763 3.512 . 0 0 "[ . 1 . 2]" 1
783 1 65 ALA MB 1 71 THR HA 5.000 . 5.750 3.417 2.894 3.764 . 0 0 "[ . 1 . 2]" 1
784 1 65 ALA HA 1 70 ILE HG12 4.020 . 4.620 2.405 1.968 3.585 . 0 0 "[ . 1 . 2]" 1
785 1 65 ALA HA 1 70 ILE HG13 4.020 . 4.620 2.180 1.818 2.419 . 0 0 "[ . 1 . 2]" 1
786 1 65 ALA HA 1 70 ILE HB 4.990 . 5.740 4.530 4.210 4.758 . 0 0 "[ . 1 . 2]" 1
787 1 65 ALA MB 1 72 VAL HB 3.390 . 3.900 2.311 1.879 3.187 . 0 0 "[ . 1 . 2]" 1
788 1 65 ALA MB 1 66 LYS HB2 4.870 . 5.600 4.454 4.251 4.721 . 0 0 "[ . 1 . 2]" 1
789 1 65 ALA HA 1 70 ILE MD 5.810 . 6.680 2.783 1.980 3.491 . 0 0 "[ . 1 . 2]" 1
790 1 65 ALA MB 1 70 ILE MD 6.430 . 7.390 3.652 2.290 4.246 . 0 0 "[ . 1 . 2]" 1
791 1 65 ALA MB 1 72 VAL MG2 3.910 . 4.500 3.381 3.081 3.896 . 0 0 "[ . 1 . 2]" 1
792 1 63 ARG HA 1 66 LYS HB2 3.530 . 4.060 2.933 2.378 3.290 . 0 0 "[ . 1 . 2]" 1
793 1 65 ALA HA 1 66 LYS HA 4.800 . 5.520 4.772 4.731 4.886 . 0 0 "[ . 1 . 2]" 1
794 1 14 ALA MB 1 68 PHE HB2 4.530 . 5.210 3.067 2.475 3.697 . 0 0 "[ . 1 . 2]" 1
795 1 68 PHE HB3 1 70 ILE MD 5.720 . 6.580 3.637 2.891 4.915 . 0 0 "[ . 1 . 2]" 1
796 1 68 PHE HB2 1 70 ILE MG 6.430 . 7.390 2.673 2.206 3.768 . 0 0 "[ . 1 . 2]" 1
797 1 7 PHE QD 1 72 VAL HB 3.870 . 4.450 2.915 2.492 3.331 . 0 0 "[ . 1 . 2]" 1
798 1 7 PHE QD 1 72 VAL MG2 4.630 . 5.320 3.218 3.019 3.410 . 0 0 "[ . 1 . 2]" 1
799 1 65 ALA MB 1 72 VAL MG1 3.190 . 3.670 2.019 1.749 2.186 0.051 6 0 "[ . 1 . 2]" 1
800 1 61 ALA MB 1 72 VAL MG1 4.510 . 5.190 3.289 2.670 3.809 . 0 0 "[ . 1 . 2]" 1
801 1 72 VAL MG1 1 73 THR HA 6.430 . 7.390 3.819 3.663 4.077 . 0 0 "[ . 1 . 2]" 1
802 1 71 THR HB 1 72 VAL MG2 6.430 . 7.390 6.088 5.723 6.368 . 0 0 "[ . 1 . 2]" 1
803 1 8 ARG HB2 1 71 THR HB 4.470 . 5.140 4.172 3.362 5.230 0.090 9 0 "[ . 1 . 2]" 1
804 1 65 ALA MB 1 71 THR MG 4.190 . 4.820 4.655 4.300 4.878 0.058 15 0 "[ . 1 . 2]" 1
805 1 8 ARG HB2 1 71 THR MG 5.780 . 6.650 4.610 3.938 5.427 . 0 0 "[ . 1 . 2]" 1
806 1 71 THR MG 1 72 VAL HB 6.250 . 7.190 5.011 4.645 6.065 . 0 0 "[ . 1 . 2]" 1
807 1 3 MET HB2 1 76 ILE MD 3.990 . 4.590 3.185 2.831 3.647 . 0 0 "[ . 1 . 2]" 1
808 1 1 MET ME 1 78 LEU HA 6.140 . 7.060 5.191 2.312 7.019 . 0 0 "[ . 1 . 2]" 1
809 1 1 MET ME 1 54 ARG HA 4.480 . 5.150 4.141 2.511 5.236 0.086 17 0 "[ . 1 . 2]" 1
810 1 1 MET ME 1 76 ILE MG 3.380 . 3.890 3.294 1.846 3.966 0.076 12 0 "[ . 1 . 2]" 1
811 1 1 MET ME 1 49 VAL MG2 3.450 . 3.970 2.642 1.778 4.013 0.043 17 0 "[ . 1 . 2]" 1
812 1 1 MET ME 1 54 ARG HD2 5.150 . 5.920 3.711 2.375 5.198 . 0 0 "[ . 1 . 2]" 1
813 1 1 MET ME 1 54 ARG HD3 5.150 . 5.920 3.116 1.976 4.931 . 0 0 "[ . 1 . 2]" 1
814 1 3 MET ME 1 57 LEU HB3 3.890 . 4.470 3.192 2.367 4.509 0.039 2 0 "[ . 1 . 2]" 1
815 1 3 MET ME 1 58 ALA MB 3.440 . 3.960 2.598 1.845 3.223 . 0 0 "[ . 1 . 2]" 1
816 1 3 MET ME 1 5 ILE MD 2.920 . 3.360 2.016 1.726 2.593 0.074 16 0 "[ . 1 . 2]" 1
817 1 3 MET ME 1 3 MET HG3 3.760 . 4.320 2.508 2.431 2.598 . 0 0 "[ . 1 . 2]" 1
818 1 3 MET ME 1 58 ALA HA 4.050 . 4.660 2.644 1.850 3.400 . 0 0 "[ . 1 . 2]" 1
819 1 3 MET ME 1 54 ARG HA 5.470 . 6.290 4.216 2.867 6.156 . 0 0 "[ . 1 . 2]" 1
820 1 3 MET ME 1 58 ALA H 4.130 . 4.750 3.127 2.162 4.170 . 0 0 "[ . 1 . 2]" 1
821 1 33 VAL HA 1 44 ILE MG 6.130 . 7.050 4.194 3.814 4.861 . 0 0 "[ . 1 . 2]" 1
822 1 44 ILE MG 1 46 ILE HA 6.450 . 7.420 4.331 4.048 4.542 . 0 0 "[ . 1 . 2]" 1
823 1 6 ARG HA 1 43 GLU HA 3.630 . 4.170 2.374 1.906 2.895 . 0 0 "[ . 1 . 2]" 1
824 1 9 GLY H 1 41 ASP HA 6.430 . 7.390 4.097 3.372 5.271 . 0 0 "[ . 1 . 2]" 1
825 1 73 THR HA 1 74 TYR HA 4.540 . 5.220 4.439 4.406 4.537 . 0 0 "[ . 1 . 2]" 1
826 1 3 MET HA 1 77 ARG H 6.500 . 7.480 3.446 2.548 5.045 . 0 0 "[ . 1 . 2]" 1
827 1 5 ILE HA 1 74 TYR HA 3.730 . 4.290 2.432 2.225 2.798 . 0 0 "[ . 1 . 2]" 1
828 1 75 THR H 1 75 THR HB 3.690 . 4.240 2.739 2.502 3.831 . 0 0 "[ . 1 . 2]" 1
829 1 75 THR H 1 75 THR MG 4.050 . 4.660 3.828 2.794 4.001 . 0 0 "[ . 1 . 2]" 1
830 1 5 ILE MD 1 74 TYR HB2 5.530 . 6.360 4.169 2.247 6.154 . 0 0 "[ . 1 . 2]" 1
831 1 71 THR HA 1 72 VAL HA 6.130 . 7.050 4.467 4.424 4.504 . 0 0 "[ . 1 . 2]" 1
832 1 75 THR HB 1 76 ILE H 4.390 . 5.050 4.152 2.824 4.441 . 0 0 "[ . 1 . 2]" 1
833 1 73 THR HB 1 74 TYR H 3.590 . 4.130 3.011 2.248 3.425 . 0 0 "[ . 1 . 2]" 1
834 1 1 MET HB3 1 49 VAL HB 6.500 . 7.480 5.639 4.510 7.485 0.005 5 0 "[ . 1 . 2]" 1
835 1 1 MET HB3 1 54 ARG HB2 6.500 . 7.480 5.214 3.842 6.655 . 0 0 "[ . 1 . 2]" 1
836 1 1 MET HB2 1 49 VAL HB 6.500 . 7.480 6.487 4.143 7.520 0.040 18 0 "[ . 1 . 2]" 1
837 1 1 MET HB2 1 54 ARG HB2 6.500 . 7.480 5.873 3.622 7.480 . 0 0 "[ . 1 . 2]" 1
838 1 1 MET HA 1 1 MET ME 5.490 . 6.310 4.158 3.061 4.487 . 0 0 "[ . 1 . 2]" 1
839 1 1 MET HB3 1 76 ILE MG 5.990 . 6.890 4.596 2.783 5.603 . 0 0 "[ . 1 . 2]" 1
840 1 2 GLU HB2 1 47 THR HA 6.500 . 7.480 4.474 3.129 5.878 . 0 0 "[ . 1 . 2]" 1
841 1 2 GLU HB3 1 47 THR HA 6.500 . 7.480 3.992 2.877 5.026 . 0 0 "[ . 1 . 2]" 1
842 1 2 GLU HA 1 49 VAL H 5.460 . 6.280 4.297 3.544 6.019 . 0 0 "[ . 1 . 2]" 1
843 1 3 MET ME 1 49 VAL MG2 5.190 . 5.970 4.686 3.717 5.980 0.010 2 0 "[ . 1 . 2]" 1
844 1 3 MET ME 1 3 MET HG2 3.760 . 4.320 2.805 2.442 3.416 . 0 0 "[ . 1 . 2]" 1
845 1 3 MET HB2 1 54 ARG HD2 6.500 . 7.480 5.115 3.895 6.090 . 0 0 "[ . 1 . 2]" 1
846 1 3 MET HB2 1 54 ARG HD3 6.500 . 7.480 5.095 2.935 6.719 . 0 0 "[ . 1 . 2]" 1
847 1 3 MET HB3 1 54 ARG HD2 6.500 . 7.480 5.812 2.888 7.277 . 0 0 "[ . 1 . 2]" 1
848 1 3 MET HB3 1 54 ARG HD3 6.500 . 7.480 5.805 3.558 7.543 0.063 17 0 "[ . 1 . 2]" 1
849 1 3 MET ME 1 5 ILE HA 6.430 . 7.390 4.683 3.875 5.823 . 0 0 "[ . 1 . 2]" 1
850 1 5 ILE MG 1 74 TYR QD 5.260 . 6.050 3.505 2.321 4.551 . 0 0 "[ . 1 . 2]" 1
851 1 17 LYS HB2 1 68 PHE QE 5.690 . 6.540 3.055 2.476 3.638 . 0 0 "[ . 1 . 2]" 1
852 1 38 ASP HB3 1 41 ASP H 6.430 . 7.390 3.878 3.326 4.894 . 0 0 "[ . 1 . 2]" 1
853 1 7 PHE HB2 1 42 LEU HB2 4.800 . 5.520 3.951 3.313 4.454 . 0 0 "[ . 1 . 2]" 1
854 1 7 PHE HB3 1 42 LEU HB3 4.940 . 5.680 3.805 3.264 4.355 . 0 0 "[ . 1 . 2]" 1
855 1 8 ARG HB3 1 71 THR MG 4.740 . 5.450 3.538 3.032 3.998 . 0 0 "[ . 1 . 2]" 1
856 1 8 ARG HB3 1 71 THR HB 4.830 . 5.550 2.597 1.789 3.876 0.011 1 0 "[ . 1 . 2]" 1
857 1 8 ARG HG2 1 41 ASP HA 6.500 . 7.480 4.750 2.751 5.646 . 0 0 "[ . 1 . 2]" 1
858 1 8 ARG HG3 1 41 ASP HA 6.500 . 7.480 3.610 2.156 5.391 . 0 0 "[ . 1 . 2]" 1
859 1 8 ARG HD2 1 41 ASP HA 6.500 . 7.480 4.758 3.041 6.306 . 0 0 "[ . 1 . 2]" 1
860 1 8 ARG HD3 1 41 ASP HA 6.500 . 7.480 5.026 3.104 6.516 . 0 0 "[ . 1 . 2]" 1
861 1 11 ASP HB3 1 14 ALA MB 4.040 . 4.650 2.811 1.822 4.695 0.045 1 0 "[ . 1 . 2]" 1
862 1 15 PHE QD 1 37 LEU MD2 4.230 . 4.860 3.954 3.259 4.850 . 0 0 "[ . 1 . 2]" 1
863 1 12 LEU MD1 1 15 PHE QD 4.630 . 5.320 3.534 2.102 5.023 . 0 0 "[ . 1 . 2]" 1
864 1 12 LEU HB3 1 13 GLU HG2 6.500 . 7.480 5.241 4.277 6.797 . 0 0 "[ . 1 . 2]" 1
865 1 12 LEU HB3 1 13 GLU HG3 6.500 . 7.480 4.758 3.195 6.755 . 0 0 "[ . 1 . 2]" 1
866 1 14 ALA HA 1 17 LYS HB2 5.100 . 5.870 2.873 2.122 3.640 . 0 0 "[ . 1 . 2]" 1
867 1 11 ASP HB2 1 14 ALA MB 4.040 . 4.650 3.073 1.899 4.651 0.001 15 0 "[ . 1 . 2]" 1
868 1 14 ALA MB 1 70 ILE MG 3.790 . 4.360 2.662 2.003 3.380 . 0 0 "[ . 1 . 2]" 1
869 1 14 ALA MB 1 68 PHE HB3 3.430 . 3.940 2.631 1.870 3.494 . 0 0 "[ . 1 . 2]" 1
870 1 14 ALA MB 1 68 PHE QE 5.950 . 6.840 3.947 3.292 4.675 . 0 0 "[ . 1 . 2]" 1
871 1 17 LYS HB2 1 18 ALA HA 6.500 . 7.480 4.395 4.115 4.973 . 0 0 "[ . 1 . 2]" 1
872 1 17 LYS HB3 1 18 ALA MB 5.130 . 5.900 4.605 4.157 4.960 . 0 0 "[ . 1 . 2]" 1
873 1 18 ALA MB 1 42 LEU MD2 5.140 . 5.910 3.361 2.402 4.163 . 0 0 "[ . 1 . 2]" 1
874 1 19 LEU MD1 1 23 ILE HG13 4.590 . 5.280 2.734 2.491 3.244 . 0 0 "[ . 1 . 2]" 1
875 1 15 PHE HA 1 19 LEU HB3 5.670 . 6.520 5.073 3.892 5.573 . 0 0 "[ . 1 . 2]" 1
876 1 21 GLU HA 1 24 ARG HB2 4.060 . 4.670 3.002 2.470 3.568 . 0 0 "[ . 1 . 2]" 1
877 1 20 LYS HG3 1 21 GLU HA 4.950 . 5.690 3.971 3.109 5.401 . 0 0 "[ . 1 . 2]" 1
878 1 19 LEU MD1 1 22 MET HB2 6.430 . 7.390 3.322 2.855 4.080 . 0 0 "[ . 1 . 2]" 1
879 1 22 MET ME 1 23 ILE H 6.070 . 6.980 5.000 4.769 5.362 . 0 0 "[ . 1 . 2]" 1
880 1 19 LEU H 1 23 ILE MD 6.500 . 7.480 5.879 5.538 6.144 . 0 0 "[ . 1 . 2]" 1
881 1 23 ILE MD 1 26 ALA H 6.500 . 7.480 6.497 6.293 6.680 . 0 0 "[ . 1 . 2]" 1
882 1 23 ILE MD 1 35 TYR QE 4.380 . 5.040 3.359 2.349 4.460 . 0 0 "[ . 1 . 2]" 1
883 1 23 ILE HG13 1 35 TYR QD 6.500 . 7.480 5.429 4.671 6.259 . 0 0 "[ . 1 . 2]" 1
884 1 23 ILE HG13 1 35 TYR QE 6.500 . 7.480 5.732 4.787 6.633 . 0 0 "[ . 1 . 2]" 1
885 1 20 LYS HA 1 23 ILE HG13 6.430 . 7.390 3.843 3.177 4.334 . 0 0 "[ . 1 . 2]" 1
886 1 22 MET HB2 1 23 ILE MD 5.790 . 6.660 4.796 4.613 5.119 . 0 0 "[ . 1 . 2]" 1
887 1 22 MET HB2 1 23 ILE HB 5.400 . 6.210 4.912 4.788 5.109 . 0 0 "[ . 1 . 2]" 1
888 1 22 MET HB2 1 23 ILE HA 6.500 . 7.480 4.388 4.261 4.498 . 0 0 "[ . 1 . 2]" 1
889 1 23 ILE HA 1 33 VAL HB 6.500 . 7.480 4.205 3.072 5.414 . 0 0 "[ . 1 . 2]" 1
890 1 19 LEU MD1 1 23 ILE HB 5.270 . 6.060 4.679 4.462 5.158 . 0 0 "[ . 1 . 2]" 1
891 1 19 LEU HG 1 23 ILE HA 5.900 . 6.790 6.021 5.637 6.571 . 0 0 "[ . 1 . 2]" 1
892 1 25 GLN HA 1 57 LEU MD2 5.130 . 5.900 5.021 4.397 5.483 . 0 0 "[ . 1 . 2]" 1
893 1 26 ALA MB 1 29 PHE QE 5.380 . 6.190 5.288 4.061 6.110 . 0 0 "[ . 1 . 2]" 1
894 1 23 ILE HB 1 26 ALA MB 5.320 . 6.120 4.874 4.528 5.528 . 0 0 "[ . 1 . 2]" 1
895 1 23 ILE MG 1 27 ARG HG3 4.320 . 4.970 2.682 2.117 4.482 . 0 0 "[ . 1 . 2]" 1
896 1 15 PHE HA 1 15 PHE QD 4.060 . 4.670 2.721 2.189 2.987 . 0 0 "[ . 1 . 2]" 1
897 1 29 PHE QD 1 57 LEU MD1 6.500 . 7.480 4.425 3.410 5.335 . 0 0 "[ . 1 . 2]" 1
898 1 29 PHE QD 1 57 LEU MD2 6.500 . 7.480 4.260 3.537 4.848 . 0 0 "[ . 1 . 2]" 1
899 1 2 GLU HA 1 47 THR MG 4.060 . 4.670 3.851 3.308 4.399 . 0 0 "[ . 1 . 2]" 1
900 1 33 VAL HA 1 46 ILE H 5.210 . 5.990 4.901 4.684 5.262 . 0 0 "[ . 1 . 2]" 1
901 1 33 VAL HA 1 47 THR H 4.570 . 5.260 3.506 2.960 3.827 . 0 0 "[ . 1 . 2]" 1
902 1 33 VAL MG2 1 35 TYR QD 5.850 . 6.730 5.640 5.156 6.279 . 0 0 "[ . 1 . 2]" 1
903 1 32 THR HA 1 33 VAL MG2 5.430 . 6.240 3.566 3.409 3.739 . 0 0 "[ . 1 . 2]" 1
904 1 23 ILE MD 1 33 VAL HB 5.350 . 6.150 4.047 3.152 6.156 0.006 9 0 "[ . 1 . 2]" 1
905 1 33 VAL MG1 1 46 ILE HB 4.640 . 5.340 4.899 4.552 5.343 0.003 17 0 "[ . 1 . 2]" 1
906 1 7 PHE HA 1 72 VAL HB 5.590 . 6.430 3.447 2.678 4.106 . 0 0 "[ . 1 . 2]" 1
907 1 35 TYR QD 1 36 THR MG 4.900 . 5.640 5.103 4.791 5.603 . 0 0 "[ . 1 . 2]" 1
908 1 35 TYR QD 1 36 THR HA 5.290 . 6.080 3.841 3.191 4.238 . 0 0 "[ . 1 . 2]" 1
909 1 73 THR HA 1 74 TYR QD 5.770 . 6.640 3.437 2.697 4.201 . 0 0 "[ . 1 . 2]" 1
910 1 35 TYR QD 1 37 LEU HA 4.970 . 5.720 5.226 4.659 5.691 . 0 0 "[ . 1 . 2]" 1
911 1 35 TYR QD 1 37 LEU MD2 5.700 . 6.560 2.849 1.934 5.406 . 0 0 "[ . 1 . 2]" 1
912 1 35 TYR QE 1 37 LEU MD2 6.200 . 7.130 3.360 2.363 5.302 . 0 0 "[ . 1 . 2]" 1
913 1 15 PHE QD 1 37 LEU MD1 4.060 . 4.670 2.720 2.306 3.430 . 0 0 "[ . 1 . 2]" 1
914 1 15 PHE QD 1 37 LEU HG 6.020 . 6.920 4.923 4.213 6.163 . 0 0 "[ . 1 . 2]" 1
915 1 15 PHE HZ 1 37 LEU HG 6.500 . 7.480 5.303 3.767 7.519 0.039 11 0 "[ . 1 . 2]" 1
916 1 37 LEU MD1 1 41 ASP H 4.430 . 5.090 4.351 2.536 5.104 0.014 7 0 "[ . 1 . 2]" 1
917 1 37 LEU HA 1 42 LEU HA 3.480 . 4.000 2.684 2.214 3.032 . 0 0 "[ . 1 . 2]" 1
918 1 37 LEU MD1 1 42 LEU HA 3.970 . 4.570 2.449 1.923 2.736 . 0 0 "[ . 1 . 2]" 1
919 1 37 LEU MD2 1 42 LEU HA 4.900 . 5.640 3.952 3.416 4.914 . 0 0 "[ . 1 . 2]" 1
920 1 37 LEU MD2 1 42 LEU HB2 3.590 . 4.130 4.116 3.971 4.183 0.053 20 0 "[ . 1 . 2]" 1
921 1 37 LEU HG 1 42 LEU MD1 3.910 . 4.500 3.947 3.710 4.510 0.010 19 0 "[ . 1 . 2]" 1
922 1 38 ASP HA 1 39 GLY H 3.210 . 3.690 2.237 2.154 2.327 . 0 0 "[ . 1 . 2]" 1
923 1 36 THR HB 1 38 ASP HB2 6.500 . 7.480 5.501 3.996 6.982 . 0 0 "[ . 1 . 2]" 1
924 1 36 THR MG 1 38 ASP HB3 6.500 . 7.480 5.756 3.760 7.333 . 0 0 "[ . 1 . 2]" 1
925 1 36 THR MG 1 38 ASP HB2 5.650 . 6.500 4.835 3.058 6.245 . 0 0 "[ . 1 . 2]" 1
926 1 7 PHE H 1 42 LEU HG 4.920 . 5.660 3.787 3.124 4.358 . 0 0 "[ . 1 . 2]" 1
927 1 19 LEU MD1 1 42 LEU MD1 3.960 . 4.550 3.191 2.556 3.649 . 0 0 "[ . 1 . 2]" 1
928 1 19 LEU MD2 1 42 LEU MD1 4.410 . 5.070 3.258 2.551 4.172 . 0 0 "[ . 1 . 2]" 1
929 1 19 LEU MD1 1 42 LEU MD2 6.450 . 7.420 2.823 2.125 3.576 . 0 0 "[ . 1 . 2]" 1
930 1 19 LEU HG 1 42 LEU MD2 6.430 . 7.390 4.762 4.151 5.759 . 0 0 "[ . 1 . 2]" 1
931 1 19 LEU HB2 1 42 LEU MD1 5.300 . 6.100 3.995 3.234 4.869 . 0 0 "[ . 1 . 2]" 1
932 1 36 THR MG 1 42 LEU MD1 5.810 . 6.680 4.557 3.600 5.445 . 0 0 "[ . 1 . 2]" 1
933 1 42 LEU HG 1 44 ILE HG13 4.380 . 5.040 2.116 1.907 2.358 . 0 0 "[ . 1 . 2]" 1
934 1 42 LEU HG 1 44 ILE MD 4.990 . 5.740 2.753 2.460 2.993 . 0 0 "[ . 1 . 2]" 1
935 1 37 LEU MD1 1 42 LEU MD2 4.200 . 4.830 3.133 2.609 3.462 . 0 0 "[ . 1 . 2]" 1
936 1 42 LEU MD2 1 44 ILE HG13 4.870 . 5.600 3.183 2.963 3.467 . 0 0 "[ . 1 . 2]" 1
937 1 37 LEU MD1 1 42 LEU MD1 2.650 . 3.050 2.025 1.813 2.575 . 0 0 "[ . 1 . 2]" 1
938 1 18 ALA HA 1 42 LEU MD2 6.440 . 7.410 5.838 4.906 6.548 . 0 0 "[ . 1 . 2]" 1
939 1 7 PHE HB3 1 42 LEU MD2 5.390 . 6.200 4.044 3.255 5.008 . 0 0 "[ . 1 . 2]" 1
940 1 7 PHE HB2 1 42 LEU MD2 5.280 . 6.070 2.863 2.109 3.753 . 0 0 "[ . 1 . 2]" 1
941 1 35 TYR HB3 1 42 LEU MD1 4.050 . 4.660 3.420 3.018 4.015 . 0 0 "[ . 1 . 2]" 1
942 1 35 TYR HB2 1 42 LEU MD1 4.050 . 4.660 2.162 1.790 2.630 0.010 2 0 "[ . 1 . 2]" 1
943 1 7 PHE HB2 1 42 LEU HA 5.360 . 6.160 5.192 4.761 5.725 . 0 0 "[ . 1 . 2]" 1
944 1 35 TYR QD 1 42 LEU MD1 3.550 . 4.080 2.558 1.796 3.350 0.004 13 0 "[ . 1 . 2]" 1
945 1 15 PHE QD 1 42 LEU MD2 6.090 . 7.000 2.224 1.776 3.504 0.024 18 0 "[ . 1 . 2]" 1
946 1 7 PHE QD 1 42 LEU MD2 4.620 . 5.310 3.093 2.399 3.611 . 0 0 "[ . 1 . 2]" 1
947 1 15 PHE QD 1 42 LEU MD1 6.250 . 7.190 3.241 2.122 4.733 . 0 0 "[ . 1 . 2]" 1
948 1 7 PHE QD 1 42 LEU HG 6.210 . 7.140 3.462 2.609 4.080 . 0 0 "[ . 1 . 2]" 1
949 1 44 ILE MG 1 46 ILE H 3.930 . 4.520 3.916 3.519 4.236 . 0 0 "[ . 1 . 2]" 1
950 1 42 LEU HG 1 44 ILE HG12 4.380 . 5.040 2.966 2.585 3.342 . 0 0 "[ . 1 . 2]" 1
951 1 42 LEU HG 1 44 ILE MG 4.970 . 5.720 4.724 4.560 5.000 . 0 0 "[ . 1 . 2]" 1
952 1 35 TYR HB3 1 44 ILE MG 4.820 . 5.540 2.786 2.238 3.441 . 0 0 "[ . 1 . 2]" 1
953 1 35 TYR HA 1 44 ILE MG 6.300 . 7.250 3.877 3.320 4.262 . 0 0 "[ . 1 . 2]" 1
954 1 7 PHE HA 1 44 ILE MD 6.500 . 7.480 5.832 5.452 6.287 . 0 0 "[ . 1 . 2]" 1
955 1 35 TYR HA 1 44 ILE MD 6.500 . 7.480 5.105 4.691 5.589 . 0 0 "[ . 1 . 2]" 1
956 1 7 PHE QD 1 44 ILE MD 3.740 . 4.300 2.401 2.044 2.948 . 0 0 "[ . 1 . 2]" 1
957 1 35 TYR QD 1 44 ILE MG 6.150 . 7.070 3.950 3.189 4.607 . 0 0 "[ . 1 . 2]" 1
958 1 7 PHE HZ 1 44 ILE MG 5.800 . 6.670 5.863 5.321 6.492 . 0 0 "[ . 1 . 2]" 1
959 1 43 GLU HA 1 44 ILE HB 5.850 . 6.730 4.719 4.556 4.811 . 0 0 "[ . 1 . 2]" 1
960 1 7 PHE QE 1 44 ILE HB 6.430 . 7.390 3.693 2.999 4.604 . 0 0 "[ . 1 . 2]" 1
961 1 44 ILE HA 1 45 ARG HA 4.470 . 5.140 4.440 4.422 4.458 . 0 0 "[ . 1 . 2]" 1
962 1 34 THR MG 1 45 ARG HD2 4.630 . 5.320 4.115 2.485 5.181 . 0 0 "[ . 1 . 2]" 1
963 1 34 THR MG 1 45 ARG HD3 4.630 . 5.320 3.992 2.887 5.396 0.076 20 0 "[ . 1 . 2]" 1
964 1 68 PHE HB3 1 70 ILE MG 6.430 . 7.390 2.623 2.184 3.310 . 0 0 "[ . 1 . 2]" 1
965 1 9 GLY HA2 1 70 ILE MG 4.200 . 4.830 2.957 2.266 3.490 . 0 0 "[ . 1 . 2]" 1
966 1 10 ASP HA 1 70 ILE MG 4.780 . 5.500 5.128 4.310 5.564 0.064 4 0 "[ . 1 . 2]" 1
967 1 32 THR H 1 47 THR HB 4.910 . 5.650 3.297 2.354 3.900 . 0 0 "[ . 1 . 2]" 1
968 1 2 GLU HG2 1 47 THR HB 6.500 . 7.480 4.785 3.937 6.246 . 0 0 "[ . 1 . 2]" 1
969 1 2 GLU HG3 1 47 THR HB 6.500 . 7.480 5.332 4.202 6.708 . 0 0 "[ . 1 . 2]" 1
970 1 2 GLU HG2 1 47 THR HA 4.480 . 5.150 2.940 1.781 4.327 0.019 9 0 "[ . 1 . 2]" 1
971 1 2 GLU HG3 1 47 THR HA 4.480 . 5.150 3.368 1.879 5.160 0.010 5 0 "[ . 1 . 2]" 1
972 1 3 MET H 1 49 VAL MG2 5.040 . 5.800 3.975 3.275 5.074 . 0 0 "[ . 1 . 2]" 1
973 1 47 THR H 1 49 VAL MG2 5.770 . 6.640 5.162 4.636 5.744 . 0 0 "[ . 1 . 2]" 1
974 1 49 VAL HA 1 57 LEU MD1 5.400 . 6.210 4.524 3.856 5.207 . 0 0 "[ . 1 . 2]" 1
975 1 46 ILE MG 1 49 VAL MG2 3.010 . 3.460 3.025 2.112 3.517 0.057 19 0 "[ . 1 . 2]" 1
976 1 50 PRO HG2 1 53 VAL MG2 4.110 . 4.730 2.198 1.811 2.598 . 0 0 "[ . 1 . 2]" 1
977 1 50 PRO HB2 1 53 VAL H 4.680 . 5.380 3.150 2.330 4.270 . 0 0 "[ . 1 . 2]" 1
978 1 50 PRO HG3 1 53 VAL MG2 4.110 . 4.730 3.168 2.752 3.843 . 0 0 "[ . 1 . 2]" 1
979 1 56 GLU HG2 1 57 LEU MD2 6.500 . 7.480 6.043 5.663 6.607 . 0 0 "[ . 1 . 2]" 1
980 1 56 GLU HG3 1 57 LEU MD2 6.500 . 7.480 5.766 5.332 6.150 . 0 0 "[ . 1 . 2]" 1
981 1 52 GLN HA 1 53 VAL MG2 5.790 . 6.660 4.772 4.456 4.925 . 0 0 "[ . 1 . 2]" 1
982 1 53 VAL MG1 1 57 LEU MD1 3.670 . 4.220 2.594 2.175 3.071 . 0 0 "[ . 1 . 2]" 1
983 1 53 VAL MG1 1 56 GLU HA 5.470 . 6.290 5.265 4.524 5.916 . 0 0 "[ . 1 . 2]" 1
984 1 29 PHE QE 1 53 VAL MG1 4.260 . 4.900 2.758 1.920 3.027 . 0 0 "[ . 1 . 2]" 1
985 1 29 PHE QE 1 53 VAL HB 5.070 . 5.830 4.471 2.929 5.169 . 0 0 "[ . 1 . 2]" 1
986 1 62 GLU HA 1 65 ALA H 4.850 . 5.580 3.542 3.254 3.882 . 0 0 "[ . 1 . 2]" 1
987 1 55 LYS HA 1 58 ALA H 4.560 . 5.240 3.791 3.395 4.303 . 0 0 "[ . 1 . 2]" 1
988 1 7 PHE HB3 1 70 ILE MG 5.930 . 6.820 4.828 4.152 5.396 . 0 0 "[ . 1 . 2]" 1
989 1 7 PHE HB3 1 70 ILE MD 4.710 . 5.420 2.486 1.884 2.968 . 0 0 "[ . 1 . 2]" 1
990 1 56 GLU HG2 1 57 LEU H 6.500 . 7.480 4.479 3.956 5.027 . 0 0 "[ . 1 . 2]" 1
991 1 56 GLU HG3 1 57 LEU H 6.500 . 7.480 4.714 4.247 5.109 . 0 0 "[ . 1 . 2]" 1
992 1 29 PHE QE 1 57 LEU MD2 3.620 . 4.160 3.413 2.063 4.174 0.014 14 0 "[ . 1 . 2]" 1
993 1 7 PHE QE 1 64 LEU MD2 3.880 . 4.460 4.463 4.216 4.522 0.062 16 0 "[ . 1 . 2]" 1
994 1 29 PHE QE 1 57 LEU MD1 4.980 . 5.730 4.296 2.870 5.489 . 0 0 "[ . 1 . 2]" 1
995 1 58 ALA HA 1 61 ALA MB 3.920 . 4.510 2.797 2.464 3.253 . 0 0 "[ . 1 . 2]" 1
996 1 58 ALA MB 1 61 ALA MB 5.230 . 6.010 3.911 3.649 4.287 . 0 0 "[ . 1 . 2]" 1
997 1 58 ALA MB 1 74 TYR QE 4.400 . 5.060 3.273 2.599 4.269 . 0 0 "[ . 1 . 2]" 1
998 1 58 ALA HA 1 74 TYR QD 5.630 . 6.470 4.456 3.484 5.079 . 0 0 "[ . 1 . 2]" 1
999 1 55 LYS H 1 58 ALA MB 6.420 . 7.380 4.860 4.604 5.206 . 0 0 "[ . 1 . 2]" 1
1000 1 57 LEU H 1 58 ALA MB 6.500 . 7.480 4.429 4.349 4.612 . 0 0 "[ . 1 . 2]" 1
1001 1 13 GLU HA 1 16 GLU H 4.260 . 4.900 3.384 2.925 4.100 . 0 0 "[ . 1 . 2]" 1
1002 1 56 GLU HA 1 59 LYS HB3 3.130 . 3.600 2.691 2.027 3.137 . 0 0 "[ . 1 . 2]" 1
1003 1 59 LYS HG2 1 60 GLU HA 4.550 . 5.230 3.919 3.444 5.238 0.008 20 0 "[ . 1 . 2]" 1
1004 1 60 GLU HA 1 63 ARG HB3 4.100 . 4.720 2.702 2.276 3.568 . 0 0 "[ . 1 . 2]" 1
1005 1 60 GLU HA 1 63 ARG HB2 4.100 . 4.720 3.268 2.289 4.368 . 0 0 "[ . 1 . 2]" 1
1006 1 61 ALA HA 1 64 LEU HG 5.780 . 6.650 3.294 2.492 3.792 . 0 0 "[ . 1 . 2]" 1
1007 1 57 LEU HB3 1 61 ALA MB 5.860 . 6.740 4.725 4.335 5.755 . 0 0 "[ . 1 . 2]" 1
1008 1 61 ALA MB 1 64 LEU HB3 6.350 . 7.300 5.387 4.944 6.085 . 0 0 "[ . 1 . 2]" 1
1009 1 61 ALA HA 1 62 GLU HA 5.050 . 5.810 4.835 4.720 4.909 . 0 0 "[ . 1 . 2]" 1
1010 1 60 GLU HA 1 61 ALA HA 5.180 . 5.960 4.866 4.819 4.907 . 0 0 "[ . 1 . 2]" 1
1011 1 61 ALA MB 1 74 TYR QE 4.730 . 5.440 3.837 1.793 5.210 0.007 11 0 "[ . 1 . 2]" 1
1012 1 63 ARG HA 1 67 GLU H 5.310 . 6.110 4.050 3.700 4.461 . 0 0 "[ . 1 . 2]" 1
1013 1 61 ALA MB 1 62 GLU HA 4.560 . 5.240 3.901 3.785 4.027 . 0 0 "[ . 1 . 2]" 1
1014 1 64 LEU HB2 1 65 ALA MB 6.430 . 7.390 3.979 3.858 4.199 . 0 0 "[ . 1 . 2]" 1
1015 1 61 ALA MB 1 64 LEU MD1 5.020 . 5.770 3.420 2.816 3.897 . 0 0 "[ . 1 . 2]" 1
1016 1 64 LEU MD1 1 65 ALA MB 6.500 . 7.480 5.182 5.034 5.444 . 0 0 "[ . 1 . 2]" 1
1017 1 21 GLU HG2 1 64 LEU MD2 4.090 . 4.700 3.348 2.782 4.019 . 0 0 "[ . 1 . 2]" 1
1018 1 61 ALA HA 1 64 LEU HA 6.430 . 7.390 5.404 4.987 6.050 . 0 0 "[ . 1 . 2]" 1
1019 1 18 ALA HA 1 64 LEU MD1 3.540 . 4.070 2.297 1.994 3.000 . 0 0 "[ . 1 . 2]" 1
1020 1 22 MET HA 1 64 LEU MD1 6.500 . 7.480 4.239 3.866 4.859 . 0 0 "[ . 1 . 2]" 1
1021 1 60 GLU HA 1 64 LEU MD1 6.500 . 7.480 4.889 4.448 5.435 . 0 0 "[ . 1 . 2]" 1
1022 1 22 MET HA 1 64 LEU MD2 5.900 . 6.790 5.686 5.255 6.537 . 0 0 "[ . 1 . 2]" 1
1023 1 7 PHE HZ 1 64 LEU MD1 4.200 . 4.830 2.078 1.926 2.270 . 0 0 "[ . 1 . 2]" 1
1024 1 7 PHE HZ 1 64 LEU MD2 4.000 . 4.600 4.627 4.474 4.692 0.092 4 0 "[ . 1 . 2]" 1
1025 1 7 PHE QE 1 64 LEU HG 5.710 . 6.570 4.464 4.193 4.730 . 0 0 "[ . 1 . 2]" 1
1026 1 7 PHE HZ 1 64 LEU HB3 5.140 . 5.910 3.900 3.572 4.430 . 0 0 "[ . 1 . 2]" 1
1027 1 7 PHE QE 1 64 LEU HB2 6.430 . 7.390 2.186 1.942 2.518 . 0 0 "[ . 1 . 2]" 1
1028 1 65 ALA MB 1 71 THR H 6.250 . 7.190 4.583 4.183 4.968 . 0 0 "[ . 1 . 2]" 1
1029 1 65 ALA MB 1 66 LYS HA 4.410 . 5.070 3.790 3.654 3.966 . 0 0 "[ . 1 . 2]" 1
1030 1 66 LYS HA 1 67 GLU HA 5.190 . 5.970 4.827 4.622 4.910 . 0 0 "[ . 1 . 2]" 1
1031 1 14 ALA MB 1 70 ILE MD 3.920 . 4.510 2.362 1.772 4.109 0.028 7 0 "[ . 1 . 2]" 1
1032 1 7 PHE QD 1 70 ILE MD 4.310 . 4.960 2.325 1.963 2.816 . 0 0 "[ . 1 . 2]" 1
1033 1 7 PHE QD 1 70 ILE MG 5.300 . 6.100 5.014 4.394 5.516 . 0 0 "[ . 1 . 2]" 1
1034 1 68 PHE HB2 1 70 ILE MD 5.210 . 5.990 2.833 2.418 3.712 . 0 0 "[ . 1 . 2]" 1
1035 1 7 PHE HB2 1 70 ILE MD 6.430 . 7.390 3.926 3.339 4.439 . 0 0 "[ . 1 . 2]" 1
1036 1 62 GLU HA 1 72 VAL MG2 5.750 . 6.610 4.254 3.446 4.828 . 0 0 "[ . 1 . 2]" 1
1037 1 65 ALA HA 1 72 VAL MG2 6.420 . 7.380 5.152 4.948 5.474 . 0 0 "[ . 1 . 2]" 1
1038 1 72 VAL MG1 1 74 TYR QE 4.360 . 5.010 3.377 2.040 4.704 . 0 0 "[ . 1 . 2]" 1
1039 1 72 VAL MG2 1 74 TYR QD 6.500 . 7.480 2.796 1.875 3.939 . 0 0 "[ . 1 . 2]" 1
1040 1 7 PHE HZ 1 72 VAL MG1 4.740 . 5.450 5.080 4.258 5.493 0.043 16 0 "[ . 1 . 2]" 1
1041 1 7 PHE QD 1 72 VAL MG1 6.100 . 7.020 4.279 3.603 4.733 . 0 0 "[ . 1 . 2]" 1
1042 1 7 PHE QE 1 72 VAL HB 4.330 . 4.980 3.387 2.987 3.751 . 0 0 "[ . 1 . 2]" 1
1043 1 73 THR MG 1 74 TYR H 5.270 . 6.060 3.933 3.676 4.106 . 0 0 "[ . 1 . 2]" 1
1044 1 75 THR HA 1 76 ILE H 3.220 . 3.700 2.204 2.160 2.293 . 0 0 "[ . 1 . 2]" 1
1045 1 76 ILE H 1 76 ILE HB 3.810 . 4.380 2.640 2.387 2.756 . 0 0 "[ . 1 . 2]" 1
1046 1 4 ASP H 1 76 ILE MG 5.800 . 6.670 4.836 4.223 5.957 . 0 0 "[ . 1 . 2]" 1
1047 1 1 MET HB2 1 76 ILE MG 5.990 . 6.890 5.078 4.046 6.106 . 0 0 "[ . 1 . 2]" 1
1048 1 37 LEU HG 1 42 LEU HB2 5.080 . 5.840 5.209 4.858 5.493 . 0 0 "[ . 1 . 2]" 1
1049 1 15 PHE HA 1 18 ALA MB 3.870 . 4.450 3.402 2.886 3.864 . 0 0 "[ . 1 . 2]" 1
1050 1 18 ALA MB 1 19 LEU HB3 5.190 . 5.970 4.514 4.317 4.645 . 0 0 "[ . 1 . 2]" 1
1051 1 19 LEU HB3 1 44 ILE MD 5.710 . 6.570 4.293 3.867 4.870 . 0 0 "[ . 1 . 2]" 1
1052 1 19 LEU MD1 1 22 MET HB3 6.500 . 7.480 4.497 4.016 5.443 . 0 0 "[ . 1 . 2]" 1
1053 1 36 THR HB 1 37 LEU H 4.190 . 4.820 3.659 2.952 4.179 . 0 0 "[ . 1 . 2]" 1
1054 1 37 LEU HA 1 42 LEU MD1 3.600 . 4.140 3.101 2.500 3.812 . 0 0 "[ . 1 . 2]" 1
1055 1 7 PHE QE 1 44 ILE MD 3.600 . 4.140 2.169 1.788 2.451 0.012 7 0 "[ . 1 . 2]" 1
1056 1 35 TYR QD 1 44 ILE MD 6.500 . 7.480 4.706 4.311 5.255 . 0 0 "[ . 1 . 2]" 1
1057 1 22 MET ME 1 44 ILE MG 4.170 . 4.800 3.576 2.294 4.401 . 0 0 "[ . 1 . 2]" 1
1058 1 44 ILE MG 1 46 ILE HG13 3.220 . 3.700 2.562 2.268 2.934 . 0 0 "[ . 1 . 2]" 1
1059 1 6 ARG HA 1 7 PHE HB2 6.430 . 7.390 4.545 4.447 4.605 . 0 0 "[ . 1 . 2]" 1
1060 1 5 ILE MG 1 7 PHE QD 4.490 . 5.160 3.193 2.873 3.674 . 0 0 "[ . 1 . 2]" 1
1061 1 51 GLU HA 1 54 ARG HB2 3.900 . 4.490 2.815 2.005 3.591 . 0 0 "[ . 1 . 2]" 1
1062 1 51 GLU HA 1 54 ARG HB3 4.400 . 5.060 3.093 1.981 4.425 . 0 0 "[ . 1 . 2]" 1
1063 1 29 PHE HZ 1 53 VAL MG2 4.620 . 5.310 2.890 1.785 3.905 0.015 13 0 "[ . 1 . 2]" 1
1064 1 57 LEU HB2 1 58 ALA HA 6.480 . 7.450 4.360 4.249 4.510 . 0 0 "[ . 1 . 2]" 1
1065 1 18 ALA MB 1 64 LEU HB2 4.700 . 5.400 3.643 3.224 4.291 . 0 0 "[ . 1 . 2]" 1
1066 1 18 ALA MB 1 64 LEU HB3 6.430 . 7.390 2.594 2.150 3.327 . 0 0 "[ . 1 . 2]" 1
1067 1 18 ALA MB 1 64 LEU MD2 2.500 . 2.880 2.883 2.563 2.951 0.071 18 0 "[ . 1 . 2]" 1
1068 1 7 PHE QD 1 65 ALA MB 5.370 . 6.180 3.524 2.759 4.692 . 0 0 "[ . 1 . 2]" 1
1069 1 68 PHE QD 1 70 ILE MD 6.430 . 7.390 3.428 2.793 4.022 . 0 0 "[ . 1 . 2]" 1
1070 1 4 ASP H 1 76 ILE HA 4.190 . 4.820 3.321 2.651 4.332 . 0 0 "[ . 1 . 2]" 1
1071 1 3 MET HA 1 76 ILE HA 6.430 . 7.390 2.588 2.034 3.395 . 0 0 "[ . 1 . 2]" 1
1072 1 1 MET HA 1 78 LEU HA 6.430 . 7.390 3.852 2.251 6.343 . 0 0 "[ . 1 . 2]" 1
1073 1 15 PHE H 1 15 PHE QD 5.100 . 5.870 3.711 2.206 4.197 . 0 0 "[ . 1 . 2]" 1
1074 1 5 ILE HB 1 44 ILE MG 3.930 . 4.520 3.500 3.036 4.040 . 0 0 "[ . 1 . 2]" 1
1075 1 29 PHE QE 1 49 VAL MG1 6.500 . 7.480 4.730 2.996 5.955 . 0 0 "[ . 1 . 2]" 1
1076 1 33 VAL MG1 1 35 TYR QE 4.440 . 5.110 4.520 3.795 5.143 0.033 14 0 "[ . 1 . 2]" 1
1077 1 54 ARG HA 1 57 LEU HB2 4.180 . 4.810 2.863 2.306 3.461 . 0 0 "[ . 1 . 2]" 1
1078 1 37 LEU MD1 1 42 LEU HB2 3.730 . 4.290 2.360 1.945 2.563 . 0 0 "[ . 1 . 2]" 1
1079 1 1 MET HA 1 1 MET QG 3.500 . 4.030 2.479 2.380 2.966 . 0 0 "[ . 1 . 2]" 1
1080 1 1 MET QB 1 1 MET ME 3.090 . 3.550 2.007 1.907 2.161 . 0 0 "[ . 1 . 2]" 1
1081 1 1 MET QB 1 49 VAL MG2 4.000 . 4.600 3.022 1.804 3.923 . 0 0 "[ . 1 . 2]" 1
1082 1 1 MET QB 1 54 ARG QD 5.590 . 6.430 4.781 2.411 6.495 0.065 11 0 "[ . 1 . 2]" 1
1083 1 1 MET QB 1 76 ILE MG 5.160 . 5.930 4.231 2.737 5.182 . 0 0 "[ . 1 . 2]" 1
1084 1 1 MET ME 1 1 MET QG 3.280 . 3.770 2.455 2.401 2.558 . 0 0 "[ . 1 . 2]" 1
1085 1 1 MET QG 1 2 GLU H 5.500 . 6.330 3.173 1.902 4.808 . 0 0 "[ . 1 . 2]" 1
1086 1 1 MET QG 1 49 VAL MG2 4.950 . 5.690 3.840 2.757 4.885 . 0 0 "[ . 1 . 2]" 1
1087 1 1 MET QG 1 54 ARG QD 5.590 . 6.430 4.372 2.982 6.015 . 0 0 "[ . 1 . 2]" 1
1088 1 1 MET QG 1 76 ILE MG 4.030 . 4.630 3.421 2.478 4.612 . 0 0 "[ . 1 . 2]" 1
1089 1 1 MET ME 1 54 ARG QG 4.390 . 5.050 3.072 1.798 4.301 0.002 10 0 "[ . 1 . 2]" 1
1090 1 1 MET ME 1 54 ARG QD 4.450 . 5.120 2.809 1.949 4.501 . 0 0 "[ . 1 . 2]" 1
1091 1 2 GLU HA 1 3 MET QB 4.640 . 5.340 4.034 3.758 4.431 . 0 0 "[ . 1 . 2]" 1
1092 1 2 GLU QB 1 3 MET H 4.130 . 4.750 2.955 2.313 3.763 . 0 0 "[ . 1 . 2]" 1
1093 1 2 GLU QB 1 47 THR MG 4.060 . 4.670 3.656 2.507 4.510 . 0 0 "[ . 1 . 2]" 1
1094 1 2 GLU QG 1 3 MET H 5.250 . 6.040 3.596 2.179 4.168 . 0 0 "[ . 1 . 2]" 1
1095 1 2 GLU QG 1 47 THR HA 3.820 . 4.390 2.415 1.772 4.117 0.028 9 0 "[ . 1 . 2]" 1
1096 1 2 GLU QG 1 47 THR MG 4.160 . 4.780 2.235 1.784 3.051 0.016 6 0 "[ . 1 . 2]" 1
1097 1 3 MET H 1 3 MET QB 3.430 . 3.940 2.771 2.427 3.231 . 0 0 "[ . 1 . 2]" 1
1098 1 3 MET HA 1 3 MET QG 3.560 . 4.090 2.743 2.332 3.362 . 0 0 "[ . 1 . 2]" 1
1099 1 3 MET QB 1 3 MET ME 3.820 . 4.390 3.116 1.955 3.654 . 0 0 "[ . 1 . 2]" 1
1100 1 3 MET QB 1 46 ILE H 6.210 . 7.140 3.743 2.550 4.630 . 0 0 "[ . 1 . 2]" 1
1101 1 3 MET QB 1 46 ILE MD 4.160 . 4.780 3.953 3.215 4.771 . 0 0 "[ . 1 . 2]" 1
1102 1 3 MET QB 1 49 VAL MG1 5.580 . 6.420 4.424 3.017 6.435 0.015 6 0 "[ . 1 . 2]" 1
1103 1 3 MET QB 1 49 VAL MG2 4.630 . 5.320 3.105 1.996 4.683 . 0 0 "[ . 1 . 2]" 1
1104 1 3 MET QB 1 76 ILE MD 3.500 . 4.030 3.029 2.591 3.520 . 0 0 "[ . 1 . 2]" 1
1105 1 3 MET ME 1 3 MET QG 3.130 . 3.600 2.312 2.224 2.523 . 0 0 "[ . 1 . 2]" 1
1106 1 3 MET QG 1 4 ASP H 4.620 . 5.310 3.513 2.876 4.396 . 0 0 "[ . 1 . 2]" 1
1107 1 3 MET QG 1 5 ILE QG 3.450 . 3.970 2.480 1.904 3.528 . 0 0 "[ . 1 . 2]" 1
1108 1 3 MET QG 1 46 ILE HB 6.210 . 7.140 3.613 1.996 4.771 . 0 0 "[ . 1 . 2]" 1
1109 1 3 MET QG 1 49 VAL MG2 5.720 . 6.580 3.948 2.336 5.362 . 0 0 "[ . 1 . 2]" 1
1110 1 3 MET QG 1 76 ILE QG 4.190 . 4.820 3.458 1.739 4.178 0.061 4 0 "[ . 1 . 2]" 1
1111 1 3 MET QG 1 76 ILE MD 3.980 . 4.580 2.922 1.896 4.479 . 0 0 "[ . 1 . 2]" 1
1112 1 3 MET ME 1 5 ILE QG 3.460 . 3.980 2.408 1.859 3.363 . 0 0 "[ . 1 . 2]" 1
1113 1 3 MET ME 1 74 TYR QB 4.770 . 5.490 2.993 1.861 4.138 . 0 0 "[ . 1 . 2]" 1
1114 1 4 ASP HA 1 45 ARG QB 6.270 . 7.210 3.459 2.738 4.379 . 0 0 "[ . 1 . 2]" 1
1115 1 4 ASP QB 1 75 THR H 5.600 . 6.440 2.810 2.185 4.292 . 0 0 "[ . 1 . 2]" 1
1116 1 4 ASP QB 1 75 THR HB 3.820 . 4.390 2.482 1.778 4.378 0.022 11 0 "[ . 1 . 2]" 1
1117 1 4 ASP QB 1 75 THR MG 4.730 . 5.440 3.697 2.866 5.129 . 0 0 "[ . 1 . 2]" 1
1118 1 5 ILE HA 1 5 ILE QG 3.680 . 4.230 2.501 2.401 3.022 . 0 0 "[ . 1 . 2]" 1
1119 1 5 ILE HA 1 74 TYR QB 4.380 . 5.040 2.735 1.943 4.584 . 0 0 "[ . 1 . 2]" 1
1120 1 5 ILE MG 1 74 TYR QB 4.920 . 5.660 2.736 1.928 4.510 . 0 0 "[ . 1 . 2]" 1
1121 1 5 ILE QG 1 6 ARG H 5.400 . 6.210 4.317 4.093 4.865 . 0 0 "[ . 1 . 2]" 1
1122 1 5 ILE QG 1 61 ALA MB 4.700 . 5.400 3.703 3.291 4.315 . 0 0 "[ . 1 . 2]" 1
1123 1 5 ILE QG 1 74 TYR HA 5.060 . 5.820 3.627 2.805 5.151 . 0 0 "[ . 1 . 2]" 1
1124 1 5 ILE QG 1 74 TYR QB 4.440 . 5.110 2.481 1.924 3.870 . 0 0 "[ . 1 . 2]" 1
1125 1 5 ILE MD 1 22 MET QG 4.670 . 5.370 3.890 3.203 4.651 . 0 0 "[ . 1 . 2]" 1
1126 1 5 ILE MD 1 74 TYR QB 4.860 . 5.590 3.531 1.951 4.827 . 0 0 "[ . 1 . 2]" 1
1127 1 6 ARG H 1 6 ARG QB 3.330 . 3.830 2.621 2.361 3.104 . 0 0 "[ . 1 . 2]" 1
1128 1 6 ARG QB 1 6 ARG QD 3.220 . 3.700 2.367 2.108 2.776 . 0 0 "[ . 1 . 2]" 1
1129 1 6 ARG QB 1 43 GLU QG 6.040 . 6.950 3.512 1.778 4.729 0.022 17 0 "[ . 1 . 2]" 1
1130 1 6 ARG QG 1 7 PHE H 4.920 . 5.660 4.094 2.948 4.431 . 0 0 "[ . 1 . 2]" 1
1131 1 6 ARG QG 1 7 PHE HB2 6.270 . 7.210 6.135 4.816 6.534 . 0 0 "[ . 1 . 2]" 1
1132 1 6 ARG QG 1 42 LEU H 6.210 . 7.140 5.103 3.050 5.927 . 0 0 "[ . 1 . 2]" 1
1133 1 6 ARG QG 1 43 GLU QG 5.040 . 5.800 2.980 1.847 5.704 . 0 0 "[ . 1 . 2]" 1
1134 1 6 ARG QD 1 43 GLU QG 4.970 . 5.720 3.748 2.543 5.746 0.026 7 0 "[ . 1 . 2]" 1
1135 1 7 PHE HZ 1 22 MET QG 4.760 . 5.470 3.534 2.975 4.447 . 0 0 "[ . 1 . 2]" 1
1136 1 8 ARG HB2 1 8 ARG QG 2.610 . 3.000 2.351 2.159 2.404 . 0 0 "[ . 1 . 2]" 1
1137 1 8 ARG HB2 1 8 ARG QD 3.550 . 4.080 2.541 2.327 3.313 . 0 0 "[ . 1 . 2]" 1
1138 1 8 ARG HB3 1 8 ARG QG 2.600 . 2.990 2.318 2.164 2.390 . 0 0 "[ . 1 . 2]" 1
1139 1 8 ARG HB3 1 8 ARG QD 3.690 . 4.240 2.668 2.356 3.333 . 0 0 "[ . 1 . 2]" 1
1140 1 8 ARG HB3 1 9 GLY QA 5.520 . 6.350 4.505 4.331 4.779 . 0 0 "[ . 1 . 2]" 1
1141 1 8 ARG QG 1 9 GLY H 3.570 . 4.110 2.985 2.724 3.478 . 0 0 "[ . 1 . 2]" 1
1142 1 8 ARG QG 1 9 GLY QA 4.150 . 4.770 3.456 3.102 4.601 . 0 0 "[ . 1 . 2]" 1
1143 1 8 ARG QG 1 40 ASN QB 5.410 . 6.220 3.285 2.375 5.146 . 0 0 "[ . 1 . 2]" 1
1144 1 9 GLY H 1 40 ASN QB 4.350 . 5.000 3.653 2.538 4.957 . 0 0 "[ . 1 . 2]" 1
1145 1 9 GLY QA 1 40 ASN QB 5.980 . 6.880 4.629 3.327 6.075 . 0 0 "[ . 1 . 2]" 1
1146 1 9 GLY QA 1 70 ILE MG 3.560 . 4.090 2.031 1.787 2.223 0.013 12 0 "[ . 1 . 2]" 1
1147 1 10 ASP H 1 10 ASP QB 2.940 . 3.380 2.553 2.292 2.929 . 0 0 "[ . 1 . 2]" 1
1148 1 11 ASP QB 1 14 ALA H 6.210 . 7.140 3.005 2.476 4.016 . 0 0 "[ . 1 . 2]" 1
1149 1 12 LEU HB3 1 13 GLU QB 4.210 . 4.840 4.389 3.812 4.762 . 0 0 "[ . 1 . 2]" 1
1150 1 12 LEU MD1 1 15 PHE QB 6.210 . 7.140 3.310 2.357 4.738 . 0 0 "[ . 1 . 2]" 1
1151 1 13 GLU HA 1 13 GLU QG 3.450 . 3.970 2.592 2.278 3.507 . 0 0 "[ . 1 . 2]" 1
1152 1 13 GLU QB 1 14 ALA H 3.720 . 4.280 2.950 2.649 3.636 . 0 0 "[ . 1 . 2]" 1
1153 1 13 GLU QB 1 68 PHE QE 4.960 . 5.700 3.722 2.055 5.701 0.001 4 0 "[ . 1 . 2]" 1
1154 1 14 ALA MB 1 17 LYS QG 5.490 . 6.310 4.733 3.878 5.614 . 0 0 "[ . 1 . 2]" 1
1155 1 15 PHE H 1 15 PHE QB 3.610 . 4.150 2.300 2.177 2.530 . 0 0 "[ . 1 . 2]" 1
1156 1 15 PHE QB 1 37 LEU HG 6.210 . 7.140 5.581 3.823 6.951 . 0 0 "[ . 1 . 2]" 1
1157 1 15 PHE QB 1 37 LEU MD1 5.680 . 6.530 3.632 2.226 4.842 . 0 0 "[ . 1 . 2]" 1
1158 1 15 PHE QB 1 42 LEU MD2 4.150 . 4.770 3.263 1.810 4.637 . 0 0 "[ . 1 . 2]" 1
1159 1 16 GLU H 1 16 GLU QB 3.140 . 3.610 2.354 2.211 2.586 . 0 0 "[ . 1 . 2]" 1
1160 1 16 GLU H 1 16 GLU QG 4.570 . 5.260 3.301 2.013 4.022 . 0 0 "[ . 1 . 2]" 1
1161 1 16 GLU QB 1 16 GLU QG 2.360 . 2.710 2.077 2.007 2.095 . 0 0 "[ . 1 . 2]" 1
1162 1 16 GLU QB 1 17 LYS H 3.470 . 3.990 2.732 2.258 3.595 . 0 0 "[ . 1 . 2]" 1
1163 1 16 GLU QB 1 17 LYS HA 5.980 . 6.880 4.126 3.758 4.478 . 0 0 "[ . 1 . 2]" 1
1164 1 16 GLU QB 1 19 LEU HB3 5.340 . 6.140 4.799 4.169 5.528 . 0 0 "[ . 1 . 2]" 1
1165 1 16 GLU QG 1 17 LYS H 5.580 . 6.420 3.333 2.040 4.548 . 0 0 "[ . 1 . 2]" 1
1166 1 17 LYS H 1 17 LYS QG 3.200 . 3.680 2.304 2.002 3.129 . 0 0 "[ . 1 . 2]" 1
1167 1 17 LYS H 1 17 LYS QD 5.100 . 5.870 3.506 2.751 4.286 . 0 0 "[ . 1 . 2]" 1
1168 1 17 LYS HA 1 17 LYS QG 3.480 . 4.000 2.904 2.523 3.185 . 0 0 "[ . 1 . 2]" 1
1169 1 17 LYS HA 1 17 LYS QD 3.440 . 3.960 2.045 1.852 2.474 . 0 0 "[ . 1 . 2]" 1
1170 1 17 LYS HB3 1 17 LYS QD 2.710 . 3.120 2.508 2.341 2.911 . 0 0 "[ . 1 . 2]" 1
1171 1 17 LYS HB3 1 17 LYS QE 4.510 . 5.190 3.660 1.839 4.239 . 0 0 "[ . 1 . 2]" 1
1172 1 17 LYS QE 1 17 LYS QG 3.170 . 3.650 2.256 2.127 2.395 . 0 0 "[ . 1 . 2]" 1
1173 1 17 LYS QG 1 18 ALA MB 6.270 . 7.210 5.221 4.998 5.511 . 0 0 "[ . 1 . 2]" 1
1174 1 17 LYS QG 1 68 PHE QE 6.210 . 7.140 2.965 2.171 3.620 . 0 0 "[ . 1 . 2]" 1
1175 1 17 LYS QD 1 18 ALA HA 6.270 . 7.210 5.920 5.491 6.298 . 0 0 "[ . 1 . 2]" 1
1176 1 17 LYS QD 1 68 PHE QE 5.570 . 6.410 4.374 3.447 5.152 . 0 0 "[ . 1 . 2]" 1
1177 1 18 ALA H 1 21 GLU QG 5.040 . 5.800 4.972 4.676 5.971 0.171 10 0 "[ . 1 . 2]" 1
1178 1 18 ALA HA 1 21 GLU QB 4.160 . 4.780 3.207 2.878 3.758 . 0 0 "[ . 1 . 2]" 1
1179 1 19 LEU H 1 20 LYS QB 5.020 . 5.770 4.488 4.338 4.642 . 0 0 "[ . 1 . 2]" 1
1180 1 19 LEU HB2 1 35 TYR QB 6.270 . 7.210 4.865 4.419 5.308 . 0 0 "[ . 1 . 2]" 1
1181 1 19 LEU MD1 1 35 TYR QB 4.880 . 5.610 2.620 2.200 3.159 . 0 0 "[ . 1 . 2]" 1
1182 1 19 LEU MD1 1 44 ILE QG 4.790 . 5.510 2.543 2.068 3.173 . 0 0 "[ . 1 . 2]" 1
1183 1 20 LYS H 1 20 LYS QB 2.630 . 3.020 2.219 2.131 2.268 . 0 0 "[ . 1 . 2]" 1
1184 1 20 LYS HA 1 21 GLU QB 6.270 . 7.210 5.475 5.097 5.560 . 0 0 "[ . 1 . 2]" 1
1185 1 20 LYS QB 1 20 LYS HD3 3.050 . 3.510 2.436 2.230 2.539 . 0 0 "[ . 1 . 2]" 1
1186 1 20 LYS QB 1 21 GLU H 3.230 . 3.710 2.496 2.290 2.756 . 0 0 "[ . 1 . 2]" 1
1187 1 20 LYS QE 1 20 LYS HG3 3.600 . 4.140 2.587 2.383 3.045 . 0 0 "[ . 1 . 2]" 1
1188 1 21 GLU H 1 21 GLU QB 2.870 . 3.300 2.421 2.140 2.573 . 0 0 "[ . 1 . 2]" 1
1189 1 21 GLU HA 1 21 GLU QG 3.720 . 4.280 2.928 2.723 3.093 . 0 0 "[ . 1 . 2]" 1
1190 1 21 GLU HA 1 24 ARG QB 3.390 . 3.900 2.390 2.009 3.093 . 0 0 "[ . 1 . 2]" 1
1191 1 21 GLU QB 1 21 GLU QG 2.340 . 2.690 1.996 1.976 2.011 . 0 0 "[ . 1 . 2]" 1
1192 1 21 GLU QB 1 22 MET H 4.000 . 4.600 2.545 2.376 2.768 . 0 0 "[ . 1 . 2]" 1
1193 1 21 GLU QB 1 64 LEU MD1 4.070 . 4.680 2.753 2.252 3.527 . 0 0 "[ . 1 . 2]" 1
1194 1 21 GLU QB 1 64 LEU MD2 3.350 . 3.850 2.512 1.951 3.253 . 0 0 "[ . 1 . 2]" 1
1195 1 21 GLU QG 1 22 MET H 4.250 . 4.890 4.078 3.495 4.292 . 0 0 "[ . 1 . 2]" 1
1196 1 21 GLU QG 1 22 MET QG 5.070 . 5.830 4.940 3.691 5.258 . 0 0 "[ . 1 . 2]" 1
1197 1 21 GLU QG 1 64 LEU MD1 3.990 . 4.590 3.795 2.851 4.520 . 0 0 "[ . 1 . 2]" 1
1198 1 21 GLU QG 1 64 LEU MD2 3.370 . 3.880 2.411 1.760 3.139 0.040 4 0 "[ . 1 . 2]" 1
1199 1 22 MET H 1 22 MET QG 4.070 . 4.680 2.211 2.128 2.328 . 0 0 "[ . 1 . 2]" 1
1200 1 22 MET ME 1 22 MET QG 3.280 . 3.770 2.447 2.357 2.494 . 0 0 "[ . 1 . 2]" 1
1201 1 22 MET QG 1 44 ILE MD 3.840 . 4.420 3.075 2.171 4.433 0.013 6 0 "[ . 1 . 2]" 1
1202 1 22 MET QG 1 64 LEU MD1 4.530 . 5.210 2.431 1.938 3.205 . 0 0 "[ . 1 . 2]" 1
1203 1 22 MET QG 1 64 LEU MD2 5.780 . 6.650 4.112 3.644 4.839 . 0 0 "[ . 1 . 2]" 1
1204 1 23 ILE HB 1 24 ARG QB 5.720 . 6.580 4.205 4.057 4.434 . 0 0 "[ . 1 . 2]" 1
1205 1 23 ILE MG 1 24 ARG QB 6.210 . 7.140 4.379 4.219 4.492 . 0 0 "[ . 1 . 2]" 1
1206 1 23 ILE MG 1 27 ARG QB 6.120 . 7.040 3.931 2.854 4.589 . 0 0 "[ . 1 . 2]" 1
1207 1 23 ILE MG 1 27 ARG QG 3.780 . 4.350 2.371 2.083 3.163 . 0 0 "[ . 1 . 2]" 1
1208 1 23 ILE MG 1 27 ARG QD 3.920 . 4.510 2.637 2.032 4.387 . 0 0 "[ . 1 . 2]" 1
1209 1 24 ARG H 1 24 ARG QB 2.660 . 3.060 2.226 2.182 2.264 . 0 0 "[ . 1 . 2]" 1
1210 1 24 ARG H 1 24 ARG QG 4.770 . 5.490 3.981 3.952 4.059 . 0 0 "[ . 1 . 2]" 1
1211 1 24 ARG HA 1 24 ARG QG 3.260 . 3.750 2.580 2.389 3.056 . 0 0 "[ . 1 . 2]" 1
1212 1 24 ARG HA 1 27 ARG QB 4.150 . 4.770 3.513 2.813 4.237 . 0 0 "[ . 1 . 2]" 1
1213 1 24 ARG HA 1 27 ARG QG 4.370 . 5.030 3.369 2.278 4.171 . 0 0 "[ . 1 . 2]" 1
1214 1 24 ARG HA 1 27 ARG QD 5.590 . 6.430 3.543 2.085 5.626 . 0 0 "[ . 1 . 2]" 1
1215 1 24 ARG QB 1 24 ARG QD 3.080 . 3.540 2.243 2.093 2.413 . 0 0 "[ . 1 . 2]" 1
1216 1 24 ARG QB 1 25 GLN H 3.710 . 4.270 2.441 2.158 2.686 . 0 0 "[ . 1 . 2]" 1
1217 1 24 ARG QB 1 25 GLN QB 4.700 . 5.400 4.333 4.064 4.593 . 0 0 "[ . 1 . 2]" 1
1218 1 24 ARG QB 1 25 GLN QG 5.980 . 6.880 3.621 2.990 4.787 . 0 0 "[ . 1 . 2]" 1
1219 1 24 ARG QB 1 25 GLN QE 5.410 . 6.220 3.453 2.203 5.172 . 0 0 "[ . 1 . 2]" 1
1220 1 24 ARG QG 1 25 GLN QE 6.040 . 6.950 3.774 1.841 6.602 . 0 0 "[ . 1 . 2]" 1
1221 1 24 ARG QD 1 25 GLN QE 6.040 . 6.950 3.836 1.892 7.024 0.074 11 0 "[ . 1 . 2]" 1
1222 1 25 GLN H 1 25 GLN QB 3.470 . 3.990 2.395 2.188 2.537 . 0 0 "[ . 1 . 2]" 1
1223 1 25 GLN H 1 25 GLN QG 3.760 . 4.320 2.663 2.070 3.587 . 0 0 "[ . 1 . 2]" 1
1224 1 25 GLN H 1 25 GLN QE 3.790 . 4.360 3.351 2.443 4.285 . 0 0 "[ . 1 . 2]" 1
1225 1 25 GLN HA 1 25 GLN QE 4.970 . 5.720 3.681 2.326 4.920 . 0 0 "[ . 1 . 2]" 1
1226 1 25 GLN HA 1 28 LYS QB 5.980 . 6.880 3.636 2.855 4.619 . 0 0 "[ . 1 . 2]" 1
1227 1 25 GLN HA 1 28 LYS QG 4.940 . 5.680 3.726 2.311 5.330 . 0 0 "[ . 1 . 2]" 1
1228 1 25 GLN HA 1 28 LYS QE 5.260 . 6.050 3.887 1.786 6.033 0.014 8 0 "[ . 1 . 2]" 1
1229 1 25 GLN QB 1 26 ALA H 3.690 . 4.240 2.594 2.357 2.782 . 0 0 "[ . 1 . 2]" 1
1230 1 25 GLN QB 1 53 VAL MG1 4.880 . 5.610 4.304 3.260 4.991 . 0 0 "[ . 1 . 2]" 1
1231 1 25 GLN QB 1 57 LEU MD2 3.870 . 4.450 2.727 2.040 3.116 . 0 0 "[ . 1 . 2]" 1
1232 1 25 GLN QG 1 57 LEU MD2 4.950 . 5.690 3.511 2.199 4.526 . 0 0 "[ . 1 . 2]" 1
1233 1 26 ALA HA 1 27 ARG QG 6.210 . 7.140 5.317 5.079 5.428 . 0 0 "[ . 1 . 2]" 1
1234 1 26 ALA MB 1 27 ARG QB 5.680 . 6.530 4.455 4.080 4.658 . 0 0 "[ . 1 . 2]" 1
1235 1 26 ALA MB 1 27 ARG QG 5.100 . 5.870 3.547 3.180 4.368 . 0 0 "[ . 1 . 2]" 1
1236 1 27 ARG H 1 27 ARG QB 2.720 . 3.130 2.421 2.323 2.546 . 0 0 "[ . 1 . 2]" 1
1237 1 27 ARG H 1 27 ARG QD 4.960 . 5.700 3.876 3.008 4.338 . 0 0 "[ . 1 . 2]" 1
1238 1 27 ARG HA 1 27 ARG QG 3.420 . 3.930 2.567 2.307 3.396 . 0 0 "[ . 1 . 2]" 1
1239 1 27 ARG HA 1 27 ARG QD 4.690 . 5.390 3.767 2.093 4.452 . 0 0 "[ . 1 . 2]" 1
1240 1 27 ARG QB 1 27 ARG QD 2.720 . 3.130 2.401 2.148 2.923 . 0 0 "[ . 1 . 2]" 1
1241 1 28 LYS H 1 28 LYS QB 3.180 . 3.660 2.377 2.214 2.562 . 0 0 "[ . 1 . 2]" 1
1242 1 28 LYS H 1 28 LYS QG 4.810 . 5.530 2.877 2.067 4.058 . 0 0 "[ . 1 . 2]" 1
1243 1 28 LYS HA 1 28 LYS QG 3.310 . 3.810 2.607 2.402 3.357 . 0 0 "[ . 1 . 2]" 1
1244 1 28 LYS HA 1 28 LYS QD 4.470 . 5.140 3.323 1.977 4.499 . 0 0 "[ . 1 . 2]" 1
1245 1 29 PHE QB 1 49 VAL MG1 3.940 . 4.530 3.309 2.410 4.298 . 0 0 "[ . 1 . 2]" 1
1246 1 29 PHE QE 1 50 PRO QD 4.980 . 5.730 4.108 2.387 5.471 . 0 0 "[ . 1 . 2]" 1
1247 1 31 GLY QA 1 32 THR H 2.980 . 3.430 2.199 2.106 2.284 . 0 0 "[ . 1 . 2]" 1
1248 1 31 GLY QA 1 49 VAL MG1 5.720 . 6.580 3.379 1.858 5.271 . 0 0 "[ . 1 . 2]" 1
1249 1 33 VAL MG1 1 35 TYR QB 5.260 . 6.050 3.534 3.012 4.041 . 0 0 "[ . 1 . 2]" 1
1250 1 34 THR H 1 45 ARG QB 5.230 . 6.010 3.637 3.076 4.039 . 0 0 "[ . 1 . 2]" 1
1251 1 34 THR MG 1 45 ARG QB 5.060 . 5.820 2.392 1.872 3.991 . 0 0 "[ . 1 . 2]" 1
1252 1 34 THR MG 1 45 ARG QG 3.970 . 4.570 3.437 2.127 4.380 . 0 0 "[ . 1 . 2]" 1
1253 1 34 THR MG 1 45 ARG QD 3.850 . 4.430 3.436 2.442 4.471 0.041 1 0 "[ . 1 . 2]" 1
1254 1 35 TYR QB 1 36 THR H 3.340 . 3.840 2.844 2.507 3.109 . 0 0 "[ . 1 . 2]" 1
1255 1 35 TYR QB 1 36 THR MG 6.270 . 7.210 4.583 4.231 5.576 . 0 0 "[ . 1 . 2]" 1
1256 1 35 TYR QB 1 42 LEU MD1 3.420 . 3.930 2.137 1.782 2.597 0.018 2 0 "[ . 1 . 2]" 1
1257 1 35 TYR QB 1 44 ILE HA 6.210 . 7.140 2.714 2.187 3.155 . 0 0 "[ . 1 . 2]" 1
1258 1 35 TYR QB 1 44 ILE MG 4.040 . 4.650 2.736 2.220 3.353 . 0 0 "[ . 1 . 2]" 1
1259 1 35 TYR QB 1 44 ILE QG 6.000 . 6.900 2.205 1.864 2.584 . 0 0 "[ . 1 . 2]" 1
1260 1 35 TYR QD 1 37 LEU QB 5.400 . 6.210 4.748 3.343 5.408 . 0 0 "[ . 1 . 2]" 1
1261 1 35 TYR QE 1 37 LEU QB 5.650 . 6.500 5.317 3.583 6.077 . 0 0 "[ . 1 . 2]" 1
1262 1 36 THR H 1 43 GLU QB 5.120 . 5.890 2.934 2.436 3.679 . 0 0 "[ . 1 . 2]" 1
1263 1 36 THR HB 1 43 GLU QB 4.600 . 5.290 4.154 1.840 4.641 . 0 0 "[ . 1 . 2]" 1
1264 1 36 THR HB 1 43 GLU QG 6.210 . 7.140 5.335 3.857 6.260 . 0 0 "[ . 1 . 2]" 1
1265 1 36 THR MG 1 43 GLU QB 6.210 . 7.140 2.801 1.777 4.013 0.023 13 0 "[ . 1 . 2]" 1
1266 1 37 LEU QB 1 37 LEU MD1 3.070 . 3.530 2.328 2.305 2.373 . 0 0 "[ . 1 . 2]" 1
1267 1 37 LEU QB 1 38 ASP H 4.230 . 4.860 3.386 2.988 3.987 . 0 0 "[ . 1 . 2]" 1
1268 1 37 LEU QB 1 38 ASP HB3 6.270 . 7.210 5.657 5.395 6.138 . 0 0 "[ . 1 . 2]" 1
1269 1 37 LEU QB 1 42 LEU MD1 4.170 . 4.800 3.731 1.944 4.405 . 0 0 "[ . 1 . 2]" 1
1270 1 38 ASP H 1 41 ASP QB 6.270 . 7.210 3.706 2.933 5.135 . 0 0 "[ . 1 . 2]" 1
1271 1 38 ASP HA 1 39 GLY QA 4.940 . 5.680 3.915 3.863 3.941 . 0 0 "[ . 1 . 2]" 1
1272 1 38 ASP HB2 1 39 GLY QA 6.270 . 7.210 5.510 5.371 5.602 . 0 0 "[ . 1 . 2]" 1
1273 1 39 GLY QA 1 40 ASN H 2.820 . 3.240 2.243 2.150 2.414 . 0 0 "[ . 1 . 2]" 1
1274 1 39 GLY QA 1 40 ASN QB 5.490 . 6.310 4.125 3.867 4.324 . 0 0 "[ . 1 . 2]" 1
1275 1 39 GLY QA 1 41 ASP H 4.610 . 5.300 3.714 3.449 4.252 . 0 0 "[ . 1 . 2]" 1
1276 1 39 GLY QA 1 41 ASP QB 5.350 . 6.150 5.128 4.577 6.181 0.031 2 0 "[ . 1 . 2]" 1
1277 1 40 ASN H 1 40 ASN QB 3.150 . 3.620 2.731 2.445 3.191 . 0 0 "[ . 1 . 2]" 1
1278 1 40 ASN H 1 41 ASP QB 6.270 . 7.210 4.021 3.743 4.603 . 0 0 "[ . 1 . 2]" 1
1279 1 41 ASP H 1 41 ASP QB 3.060 . 3.520 2.611 2.362 3.181 . 0 0 "[ . 1 . 2]" 1
1280 1 41 ASP QB 1 42 LEU HA 5.730 . 6.590 4.342 3.989 4.755 . 0 0 "[ . 1 . 2]" 1
1281 1 42 LEU MD1 1 43 GLU QG 6.210 . 7.140 4.994 4.275 5.843 . 0 0 "[ . 1 . 2]" 1
1282 1 42 LEU MD2 1 44 ILE QG 4.120 . 4.740 2.861 2.542 3.150 . 0 0 "[ . 1 . 2]" 1
1283 1 43 GLU H 1 43 GLU QB 3.380 . 3.890 2.410 2.251 2.547 . 0 0 "[ . 1 . 2]" 1
1284 1 43 GLU HA 1 43 GLU QG 3.640 . 4.190 2.545 2.362 3.012 . 0 0 "[ . 1 . 2]" 1
1285 1 43 GLU HA 1 44 ILE QG 4.860 . 5.590 3.797 3.509 4.017 . 0 0 "[ . 1 . 2]" 1
1286 1 43 GLU QB 1 43 GLU QG 2.370 . 2.730 2.071 2.005 2.094 . 0 0 "[ . 1 . 2]" 1
1287 1 43 GLU QG 1 44 ILE H 5.040 . 5.800 3.904 2.922 4.880 . 0 0 "[ . 1 . 2]" 1
1288 1 44 ILE H 1 44 ILE QG 3.900 . 4.490 2.593 2.327 2.934 . 0 0 "[ . 1 . 2]" 1
1289 1 44 ILE HA 1 44 ILE QG 3.110 . 3.580 2.462 2.413 2.527 . 0 0 "[ . 1 . 2]" 1
1290 1 44 ILE MG 1 45 ARG QG 6.210 . 7.140 5.088 4.516 5.306 . 0 0 "[ . 1 . 2]" 1
1291 1 45 ARG QB 1 45 ARG QD 3.200 . 3.680 2.277 2.112 2.809 . 0 0 "[ . 1 . 2]" 1
1292 1 45 ARG QB 1 46 ILE H 4.400 . 5.060 3.766 3.248 3.952 . 0 0 "[ . 1 . 2]" 1
1293 1 45 ARG QG 1 46 ILE H 4.080 . 4.690 3.188 2.592 4.354 . 0 0 "[ . 1 . 2]" 1
1294 1 45 ARG QD 1 46 ILE H 6.210 . 7.140 4.917 2.233 5.774 . 0 0 "[ . 1 . 2]" 1
1295 1 47 THR MG 1 48 GLY QA 3.730 . 4.290 3.051 2.849 3.295 . 0 0 "[ . 1 . 2]" 1
1296 1 49 VAL HA 1 50 PRO QD 3.370 . 3.880 1.962 1.784 2.088 0.016 8 0 "[ . 1 . 2]" 1
1297 1 49 VAL HB 1 50 PRO QD 3.690 . 4.240 2.595 2.158 2.958 . 0 0 "[ . 1 . 2]" 1
1298 1 49 VAL MG1 1 50 PRO QD 3.310 . 3.810 3.072 2.740 3.216 . 0 0 "[ . 1 . 2]" 1
1299 1 49 VAL MG2 1 50 PRO QD 5.850 . 6.730 3.825 3.636 3.982 . 0 0 "[ . 1 . 2]" 1
1300 1 49 VAL MG2 1 54 ARG QG 5.580 . 6.420 4.320 2.912 6.194 . 0 0 "[ . 1 . 2]" 1
1301 1 50 PRO HB2 1 52 GLN QG 6.210 . 7.140 2.461 1.855 3.766 . 0 0 "[ . 1 . 2]" 1
1302 1 50 PRO QG 1 51 GLU H 4.310 . 4.960 4.444 3.596 4.847 . 0 0 "[ . 1 . 2]" 1
1303 1 50 PRO QG 1 52 GLN H 4.530 . 5.210 4.382 3.578 5.156 . 0 0 "[ . 1 . 2]" 1
1304 1 50 PRO QG 1 53 VAL H 4.470 . 5.140 3.234 2.374 4.365 . 0 0 "[ . 1 . 2]" 1
1305 1 50 PRO QG 1 53 VAL HB 3.240 . 3.730 2.747 1.847 3.790 0.060 17 0 "[ . 1 . 2]" 1
1306 1 50 PRO QG 1 53 VAL MG1 5.280 . 6.070 3.755 3.067 4.404 . 0 0 "[ . 1 . 2]" 1
1307 1 50 PRO QG 1 53 VAL MG2 3.360 . 3.860 2.147 1.796 2.480 0.004 18 0 "[ . 1 . 2]" 1
1308 1 50 PRO QD 1 53 VAL HB 6.070 . 6.980 2.801 2.070 3.846 . 0 0 "[ . 1 . 2]" 1
1309 1 50 PRO QD 1 54 ARG H 6.210 . 7.140 4.900 4.142 5.656 . 0 0 "[ . 1 . 2]" 1
1310 1 50 PRO QD 1 57 LEU MD1 5.290 . 6.080 4.045 2.404 4.818 . 0 0 "[ . 1 . 2]" 1
1311 1 51 GLU H 1 51 GLU QB 3.060 . 3.520 2.448 2.188 2.780 . 0 0 "[ . 1 . 2]" 1
1312 1 51 GLU H 1 51 GLU QG 4.410 . 5.070 2.708 1.780 4.036 0.020 16 0 "[ . 1 . 2]" 1
1313 1 51 GLU HA 1 51 GLU QG 3.510 . 4.040 3.077 2.404 3.415 . 0 0 "[ . 1 . 2]" 1
1314 1 51 GLU QB 1 52 GLN H 4.330 . 4.980 3.117 2.084 3.655 . 0 0 "[ . 1 . 2]" 1
1315 1 51 GLU QG 1 52 GLN H 6.230 . 7.160 2.792 1.933 4.207 . 0 0 "[ . 1 . 2]" 1
1316 1 51 GLU QG 1 52 GLN HA 4.720 . 5.430 3.680 3.063 5.160 . 0 0 "[ . 1 . 2]" 1
1317 1 52 GLN H 1 52 GLN QB 3.070 . 3.530 2.511 2.370 2.634 . 0 0 "[ . 1 . 2]" 1
1318 1 52 GLN H 1 52 GLN QG 4.000 . 4.600 2.131 1.889 2.381 . 0 0 "[ . 1 . 2]" 1
1319 1 52 GLN HA 1 52 GLN QG 3.560 . 4.090 3.355 3.346 3.363 . 0 0 "[ . 1 . 2]" 1
1320 1 52 GLN HA 1 55 LYS QB 5.180 . 5.960 4.763 3.732 5.971 0.011 15 0 "[ . 1 . 2]" 1
1321 1 52 GLN HA 1 55 LYS QG 5.860 . 6.740 3.830 2.912 5.601 . 0 0 "[ . 1 . 2]" 1
1322 1 52 GLN HA 1 55 LYS QD 6.270 . 7.210 4.124 2.692 6.000 . 0 0 "[ . 1 . 2]" 1
1323 1 52 GLN QG 1 53 VAL H 4.220 . 4.850 2.306 1.969 2.679 . 0 0 "[ . 1 . 2]" 1
1324 1 52 GLN QG 1 53 VAL HA 4.990 . 5.740 3.528 3.287 3.977 . 0 0 "[ . 1 . 2]" 1
1325 1 52 GLN QG 1 53 VAL MG1 4.780 . 5.500 4.366 4.278 4.577 . 0 0 "[ . 1 . 2]" 1
1326 1 52 GLN QG 1 53 VAL MG2 4.420 . 5.080 2.007 1.786 2.190 0.014 19 0 "[ . 1 . 2]" 1
1327 1 53 VAL HA 1 55 LYS QB 5.640 . 6.490 4.830 4.064 6.123 . 0 0 "[ . 1 . 2]" 1
1328 1 53 VAL HA 1 55 LYS QG 6.270 . 7.210 4.646 2.992 5.996 . 0 0 "[ . 1 . 2]" 1
1329 1 54 ARG HA 1 54 ARG QG 3.550 . 4.080 2.748 2.419 3.244 . 0 0 "[ . 1 . 2]" 1
1330 1 54 ARG QD 1 76 ILE MG 4.680 . 5.380 2.538 1.768 4.187 0.032 7 0 "[ . 1 . 2]" 1
1331 1 54 ARG QD 1 76 ILE QG 5.590 . 6.430 3.505 2.244 4.254 . 0 0 "[ . 1 . 2]" 1
1332 1 55 LYS H 1 55 LYS QB 2.750 . 3.160 2.513 2.398 2.585 . 0 0 "[ . 1 . 2]" 1
1333 1 55 LYS H 1 55 LYS QG 3.270 . 3.760 2.048 1.836 2.289 . 0 0 "[ . 1 . 2]" 1
1334 1 55 LYS H 1 55 LYS QD 3.930 . 4.520 3.619 3.046 4.204 . 0 0 "[ . 1 . 2]" 1
1335 1 55 LYS H 1 56 GLU QG 5.970 . 6.870 4.336 3.929 4.686 . 0 0 "[ . 1 . 2]" 1
1336 1 55 LYS HA 1 55 LYS QG 3.520 . 4.050 2.901 2.406 3.368 . 0 0 "[ . 1 . 2]" 1
1337 1 55 LYS QB 1 55 LYS QD 2.870 . 3.300 2.267 2.117 2.421 . 0 0 "[ . 1 . 2]" 1
1338 1 55 LYS QB 1 56 GLU H 3.560 . 4.090 2.801 2.271 3.552 . 0 0 "[ . 1 . 2]" 1
1339 1 55 LYS QE 1 55 LYS QG 3.240 . 3.730 2.390 2.141 2.769 . 0 0 "[ . 1 . 2]" 1
1340 1 55 LYS QG 1 57 LEU H 6.120 . 7.040 5.303 4.190 6.028 . 0 0 "[ . 1 . 2]" 1
1341 1 55 LYS QD 1 56 GLU QG 6.040 . 6.950 4.502 3.267 6.015 . 0 0 "[ . 1 . 2]" 1
1342 1 56 GLU H 1 56 GLU QG 3.220 . 3.700 2.222 1.958 2.474 . 0 0 "[ . 1 . 2]" 1
1343 1 56 GLU HA 1 56 GLU QG 3.480 . 4.000 2.807 2.345 3.096 . 0 0 "[ . 1 . 2]" 1
1344 1 56 GLU HA 1 59 LYS QD 4.500 . 5.180 4.150 3.066 5.208 0.028 20 0 "[ . 1 . 2]" 1
1345 1 56 GLU HA 1 59 LYS QE 4.250 . 4.890 3.158 2.022 4.928 0.038 13 0 "[ . 1 . 2]" 1
1346 1 57 LEU HA 1 60 GLU QB 3.280 . 3.770 2.755 2.161 3.116 . 0 0 "[ . 1 . 2]" 1
1347 1 57 LEU HA 1 60 GLU QG 4.870 . 5.600 4.263 2.322 4.963 . 0 0 "[ . 1 . 2]" 1
1348 1 58 ALA H 1 59 LYS QE 6.270 . 7.210 6.071 5.739 6.596 . 0 0 "[ . 1 . 2]" 1
1349 1 59 LYS H 1 59 LYS QD 5.150 . 5.920 4.729 4.658 4.820 . 0 0 "[ . 1 . 2]" 1
1350 1 59 LYS HB2 1 59 LYS QD 3.390 . 3.900 2.683 2.387 3.561 . 0 0 "[ . 1 . 2]" 1
1351 1 59 LYS HB2 1 59 LYS QE 4.170 . 4.800 2.460 1.851 3.413 . 0 0 "[ . 1 . 2]" 1
1352 1 59 LYS HB3 1 59 LYS QD 3.510 . 4.040 2.809 2.467 3.233 . 0 0 "[ . 1 . 2]" 1
1353 1 59 LYS HB3 1 59 LYS QE 4.390 . 5.050 2.387 1.855 3.226 . 0 0 "[ . 1 . 2]" 1
1354 1 59 LYS QE 1 59 LYS HG3 3.700 . 4.260 3.168 2.436 3.516 . 0 0 "[ . 1 . 2]" 1
1355 1 60 GLU H 1 60 GLU QG 4.080 . 4.690 3.913 2.328 4.083 . 0 0 "[ . 1 . 2]" 1
1356 1 60 GLU QG 1 63 ARG H 5.980 . 6.880 4.971 4.351 5.607 . 0 0 "[ . 1 . 2]" 1
1357 1 60 GLU QG 1 64 LEU MD1 5.260 . 6.050 3.046 2.076 4.914 . 0 0 "[ . 1 . 2]" 1
1358 1 61 ALA H 1 62 GLU QB 5.790 . 6.660 4.804 4.684 5.016 . 0 0 "[ . 1 . 2]" 1
1359 1 62 GLU H 1 62 GLU QG 3.240 . 3.730 2.212 1.998 2.502 . 0 0 "[ . 1 . 2]" 1
1360 1 62 GLU HA 1 62 GLU QG 3.210 . 3.690 2.534 2.368 2.872 . 0 0 "[ . 1 . 2]" 1
1361 1 62 GLU QB 1 63 ARG H 2.910 . 3.350 2.539 2.291 2.804 . 0 0 "[ . 1 . 2]" 1
1362 1 62 GLU QB 1 65 ALA MB 5.270 . 6.060 4.142 3.604 4.532 . 0 0 "[ . 1 . 2]" 1
1363 1 62 GLU QG 1 63 ARG H 4.740 . 5.450 4.055 3.852 4.228 . 0 0 "[ . 1 . 2]" 1
1364 1 62 GLU QG 1 65 ALA MB 5.590 . 6.430 4.509 3.956 5.231 . 0 0 "[ . 1 . 2]" 1
1365 1 62 GLU QG 1 72 VAL MG1 3.960 . 4.550 3.379 2.541 4.601 0.051 11 0 "[ . 1 . 2]" 1
1366 1 62 GLU QG 1 74 TYR QE 3.950 . 4.540 3.124 2.173 4.518 . 0 0 "[ . 1 . 2]" 1
1367 1 63 ARG H 1 63 ARG QB 2.770 . 3.190 2.234 2.165 2.295 . 0 0 "[ . 1 . 2]" 1
1368 1 63 ARG HA 1 63 ARG QG 3.220 . 3.700 2.615 2.355 3.081 . 0 0 "[ . 1 . 2]" 1
1369 1 63 ARG HA 1 66 LYS QG 4.680 . 5.380 3.526 2.981 4.366 . 0 0 "[ . 1 . 2]" 1
1370 1 63 ARG QB 1 63 ARG QD 3.240 . 3.730 2.384 2.157 2.903 . 0 0 "[ . 1 . 2]" 1
1371 1 63 ARG QB 1 64 LEU H 3.070 . 3.530 2.455 2.223 2.799 . 0 0 "[ . 1 . 2]" 1
1372 1 63 ARG QB 1 65 ALA H 6.250 . 7.190 4.786 4.642 5.046 . 0 0 "[ . 1 . 2]" 1
1373 1 63 ARG QG 1 64 LEU HG 5.730 . 6.590 4.458 3.600 5.329 . 0 0 "[ . 1 . 2]" 1
1374 1 65 ALA HA 1 70 ILE QG 3.480 . 4.000 1.984 1.781 2.383 0.019 12 0 "[ . 1 . 2]" 1
1375 1 66 LYS H 1 66 LYS QG 2.870 . 3.300 2.229 2.027 2.510 . 0 0 "[ . 1 . 2]" 1
1376 1 66 LYS H 1 66 LYS QD 5.170 . 5.950 3.626 3.188 4.031 . 0 0 "[ . 1 . 2]" 1
1377 1 66 LYS HA 1 66 LYS QD 4.610 . 5.300 2.880 1.904 4.277 . 0 0 "[ . 1 . 2]" 1
1378 1 66 LYS HA 1 66 LYS QE 5.200 . 5.980 3.979 1.863 5.143 . 0 0 "[ . 1 . 2]" 1
1379 1 66 LYS HB3 1 66 LYS QD 3.090 . 3.550 2.568 2.374 2.949 . 0 0 "[ . 1 . 2]" 1
1380 1 66 LYS QG 1 67 GLU H 6.270 . 7.210 4.145 3.955 4.368 . 0 0 "[ . 1 . 2]" 1
1381 1 67 GLU H 1 67 GLU QB 3.060 . 3.520 2.306 2.090 2.682 . 0 0 "[ . 1 . 2]" 1
1382 1 67 GLU HA 1 67 GLU QG 3.470 . 3.990 2.787 2.394 3.362 . 0 0 "[ . 1 . 2]" 1
1383 1 67 GLU QB 1 67 GLU QG 2.300 . 2.640 2.025 1.988 2.094 . 0 0 "[ . 1 . 2]" 1
1384 1 67 GLU QB 1 68 PHE H 3.260 . 3.750 2.636 2.294 3.753 0.003 12 0 "[ . 1 . 2]" 1
1385 1 67 GLU QB 1 68 PHE QE 6.020 . 6.920 3.549 3.128 4.801 . 0 0 "[ . 1 . 2]" 1
1386 1 67 GLU QG 1 68 PHE H 4.870 . 5.600 3.824 2.822 4.659 . 0 0 "[ . 1 . 2]" 1
1387 1 67 GLU QG 1 68 PHE QE 6.210 . 7.140 3.732 2.558 5.461 . 0 0 "[ . 1 . 2]" 1
1388 1 68 PHE HB2 1 70 ILE QG 6.210 . 7.140 2.430 2.060 3.334 . 0 0 "[ . 1 . 2]" 1
1389 1 68 PHE HB3 1 70 ILE QG 5.140 . 5.910 3.678 3.027 4.587 . 0 0 "[ . 1 . 2]" 1
1390 1 69 ASN H 1 69 ASN QB 3.350 . 3.850 3.197 2.899 3.419 . 0 0 "[ . 1 . 2]" 1
1391 1 70 ILE H 1 70 ILE QG 3.560 . 4.090 2.001 1.871 2.239 . 0 0 "[ . 1 . 2]" 1
1392 1 70 ILE QG 1 71 THR H 6.210 . 7.140 3.455 3.100 3.933 . 0 0 "[ . 1 . 2]" 1
1393 1 74 TYR QB 1 75 THR H 3.420 . 3.930 3.056 2.471 3.412 . 0 0 "[ . 1 . 2]" 1
1394 1 75 THR HA 1 76 ILE QG 5.690 . 6.540 3.641 3.315 4.157 . 0 0 "[ . 1 . 2]" 1
1395 1 75 THR HB 1 76 ILE QG 6.210 . 7.140 5.362 4.916 5.924 . 0 0 "[ . 1 . 2]" 1
1396 1 76 ILE HA 1 76 ILE QG 3.570 . 4.110 2.652 2.303 3.063 . 0 0 "[ . 1 . 2]" 1
1397 1 76 ILE QG 1 76 ILE MG 3.010 . 3.460 2.350 2.304 2.410 . 0 0 "[ . 1 . 2]" 1
1398 1 76 ILE MG 1 77 ARG QB 6.180 . 7.110 4.354 3.864 4.812 . 0 0 "[ . 1 . 2]" 1
1399 1 76 ILE QG 1 77 ARG H 4.810 . 5.530 4.404 3.915 4.856 . 0 0 "[ . 1 . 2]" 1
1400 1 77 ARG H 1 77 ARG QG 3.420 . 3.930 2.434 1.785 3.230 0.015 9 0 "[ . 1 . 2]" 1
1401 1 77 ARG H 1 77 ARG QD 4.130 . 4.750 3.983 2.951 4.498 . 0 0 "[ . 1 . 2]" 1
1402 1 77 ARG QB 1 77 ARG QD 2.980 . 3.430 2.365 2.120 2.822 . 0 0 "[ . 1 . 2]" 1
1403 1 78 LEU H 1 78 LEU QB 3.140 . 3.610 2.623 2.289 3.328 . 0 0 "[ . 1 . 2]" 1
1404 1 78 LEU HA 1 78 LEU QD 3.600 . 4.140 2.603 1.929 3.411 . 0 0 "[ . 1 . 2]" 1
1405 1 78 LEU QB 1 78 LEU HG 2.390 . 2.750 2.344 2.167 2.435 . 0 0 "[ . 1 . 2]" 1
1406 1 78 LEU QB 1 78 LEU QD 2.650 . 3.050 1.978 1.934 2.076 . 0 0 "[ . 1 . 2]" 1
1407 1 78 LEU QB 1 79 GLU H 4.460 . 5.130 3.186 2.271 3.931 . 0 0 "[ . 1 . 2]" 1
1408 1 78 LEU QD 1 79 GLU H 4.940 . 5.680 2.979 1.797 4.183 0.003 2 0 "[ . 1 . 2]" 1
1409 1 78 LEU QD 1 79 GLU QB 4.860 . 5.590 4.072 2.967 5.040 . 0 0 "[ . 1 . 2]" 1
1410 1 79 GLU H 1 79 GLU QB 2.960 . 3.400 2.354 2.179 2.728 . 0 0 "[ . 1 . 2]" 1
1411 1 79 GLU H 1 79 GLU QG 4.420 . 5.080 3.392 2.084 4.044 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 60
_Distance_constraint_stats_list.Viol_count 36
_Distance_constraint_stats_list.Viol_total 12.205
_Distance_constraint_stats_list.Viol_max 0.057
_Distance_constraint_stats_list.Viol_rms 0.0040
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0170
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 MET 0.041 0.018 15 0 "[ . 1 . 2]"
1 4 ASP 0.022 0.022 9 0 "[ . 1 . 2]"
1 5 ILE 0.024 0.020 20 0 "[ . 1 . 2]"
1 6 ARG 0.039 0.019 17 0 "[ . 1 . 2]"
1 7 PHE 0.049 0.046 20 0 "[ . 1 . 2]"
1 8 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ALA 0.127 0.057 15 0 "[ . 1 . 2]"
1 15 PHE 0.080 0.025 8 0 "[ . 1 . 2]"
1 16 GLU 0.013 0.013 12 0 "[ . 1 . 2]"
1 17 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ALA 0.127 0.057 15 0 "[ . 1 . 2]"
1 19 LEU 0.103 0.025 8 0 "[ . 1 . 2]"
1 20 LYS 0.013 0.013 12 0 "[ . 1 . 2]"
1 22 MET 0.030 0.030 14 0 "[ . 1 . 2]"
1 23 ILE 0.023 0.023 13 0 "[ . 1 . 2]"
1 24 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ALA 0.030 0.030 14 0 "[ . 1 . 2]"
1 27 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 THR 0.001 0.001 18 0 "[ . 1 . 2]"
1 34 THR 0.004 0.004 20 0 "[ . 1 . 2]"
1 36 THR 0.021 0.019 17 0 "[ . 1 . 2]"
1 38 ASP 0.002 0.002 5 0 "[ . 1 . 2]"
1 41 ASP 0.002 0.002 5 0 "[ . 1 . 2]"
1 42 LEU 0.049 0.046 20 0 "[ . 1 . 2]"
1 43 GLU 0.021 0.019 17 0 "[ . 1 . 2]"
1 44 ILE 0.024 0.020 20 0 "[ . 1 . 2]"
1 45 ARG 0.004 0.004 20 0 "[ . 1 . 2]"
1 46 ILE 0.041 0.018 15 0 "[ . 1 . 2]"
1 47 THR 0.001 0.001 18 0 "[ . 1 . 2]"
1 53 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ARG 0.078 0.056 9 0 "[ . 1 . 2]"
1 56 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ALA 0.078 0.056 9 0 "[ . 1 . 2]"
1 60 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ARG 0.057 0.053 12 0 "[ . 1 . 2]"
1 67 GLU 0.057 0.053 12 0 "[ . 1 . 2]"
1 71 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 THR 0.039 0.019 17 0 "[ . 1 . 2]"
1 75 THR 0.022 0.022 9 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 MET H 1 46 ILE O 2.000 . 2.300 2.094 1.882 2.318 0.018 15 0 "[ . 1 . 2]" 2
2 1 3 MET N 1 46 ILE O 3.000 . 3.450 3.004 2.774 3.125 . 0 0 "[ . 1 . 2]" 2
3 1 4 ASP H 1 75 THR O 2.000 . 2.300 1.996 1.819 2.322 0.022 9 0 "[ . 1 . 2]" 2
4 1 4 ASP N 1 75 THR O 3.000 . 3.450 2.903 2.640 3.189 . 0 0 "[ . 1 . 2]" 2
5 1 5 ILE H 1 44 ILE O 2.000 . 2.300 1.875 1.780 2.009 0.020 20 0 "[ . 1 . 2]" 2
6 1 5 ILE N 1 44 ILE O 3.000 . 3.450 2.770 2.674 2.950 . 0 0 "[ . 1 . 2]" 2
7 1 6 ARG H 1 73 THR O 2.000 . 2.300 1.929 1.788 2.207 0.012 1 0 "[ . 1 . 2]" 2
8 1 6 ARG N 1 73 THR O 3.000 . 3.450 2.851 2.713 3.143 . 0 0 "[ . 1 . 2]" 2
9 1 7 PHE H 1 42 LEU O 2.000 . 2.300 2.004 1.817 2.346 0.046 20 0 "[ . 1 . 2]" 2
10 1 7 PHE N 1 42 LEU O 3.000 . 3.450 2.889 2.729 3.224 . 0 0 "[ . 1 . 2]" 2
11 1 8 ARG H 1 71 THR O 2.000 . 2.300 1.885 1.830 1.997 . 0 0 "[ . 1 . 2]" 2
12 1 8 ARG N 1 71 THR O 3.000 . 3.450 2.806 2.683 2.963 . 0 0 "[ . 1 . 2]" 2
13 1 13 GLU O 1 17 LYS H 2.000 . 2.300 1.919 1.843 2.126 . 0 0 "[ . 1 . 2]" 2
14 1 13 GLU O 1 17 LYS N 3.000 . 3.450 2.879 2.738 3.106 . 0 0 "[ . 1 . 2]" 2
15 1 14 ALA O 1 18 ALA H 2.000 . 2.300 2.122 1.837 2.357 0.057 15 0 "[ . 1 . 2]" 2
16 1 14 ALA O 1 18 ALA N 3.000 . 3.450 3.051 2.812 3.286 . 0 0 "[ . 1 . 2]" 2
17 1 15 PHE O 1 19 LEU H 2.000 . 2.300 2.143 1.886 2.325 0.025 8 0 "[ . 1 . 2]" 2
18 1 15 PHE O 1 19 LEU N 3.000 . 3.450 3.076 2.849 3.265 . 0 0 "[ . 1 . 2]" 2
19 1 16 GLU O 1 20 LYS H 2.000 . 2.300 1.950 1.787 2.252 0.013 12 0 "[ . 1 . 2]" 2
20 1 16 GLU O 1 20 LYS N 3.000 . 3.450 2.849 2.696 3.141 . 0 0 "[ . 1 . 2]" 2
21 1 19 LEU O 1 23 ILE H 2.000 . 2.300 2.025 1.858 2.323 0.023 13 0 "[ . 1 . 2]" 2
22 1 19 LEU O 1 23 ILE N 3.000 . 3.450 2.991 2.825 3.292 . 0 0 "[ . 1 . 2]" 2
23 1 20 LYS O 1 24 ARG H 2.000 . 2.300 1.935 1.871 2.098 . 0 0 "[ . 1 . 2]" 2
24 1 20 LYS O 1 24 ARG N 3.000 . 3.450 2.833 2.750 2.975 . 0 0 "[ . 1 . 2]" 2
25 1 22 MET O 1 26 ALA H 2.000 . 2.300 2.024 1.892 2.330 0.030 14 0 "[ . 1 . 2]" 2
26 1 22 MET O 1 26 ALA N 3.000 . 3.450 2.955 2.765 3.286 . 0 0 "[ . 1 . 2]" 2
27 1 23 ILE O 1 27 ARG H 2.000 . 2.300 1.991 1.881 2.210 . 0 0 "[ . 1 . 2]" 2
28 1 23 ILE O 1 27 ARG N 3.000 . 3.450 2.883 2.774 3.098 . 0 0 "[ . 1 . 2]" 2
29 1 32 THR H 1 47 THR O 2.000 . 2.300 2.020 1.799 2.277 0.001 18 0 "[ . 1 . 2]" 2
30 1 32 THR N 1 47 THR O 3.000 . 3.450 2.919 2.764 3.150 . 0 0 "[ . 1 . 2]" 2
31 1 34 THR H 1 45 ARG O 2.000 . 2.300 2.029 1.874 2.231 . 0 0 "[ . 1 . 2]" 2
32 1 34 THR N 1 45 ARG O 3.000 . 3.450 2.988 2.812 3.175 . 0 0 "[ . 1 . 2]" 2
33 1 36 THR H 1 43 GLU O 2.000 . 2.300 2.004 1.862 2.242 . 0 0 "[ . 1 . 2]" 2
34 1 36 THR N 1 43 GLU O 3.000 . 3.450 2.918 2.774 3.131 . 0 0 "[ . 1 . 2]" 2
35 1 38 ASP H 1 41 ASP O 2.000 . 2.300 2.005 1.841 2.302 0.002 5 0 "[ . 1 . 2]" 2
36 1 38 ASP N 1 41 ASP O 3.000 . 3.450 2.949 2.721 3.267 . 0 0 "[ . 1 . 2]" 2
37 1 7 PHE O 1 42 LEU H 2.000 . 2.300 1.893 1.797 2.110 0.003 20 0 "[ . 1 . 2]" 2
38 1 7 PHE O 1 42 LEU N 3.000 . 3.450 2.806 2.661 3.005 . 0 0 "[ . 1 . 2]" 2
39 1 36 THR O 1 43 GLU H 2.000 . 2.300 2.063 1.887 2.319 0.019 17 0 "[ . 1 . 2]" 2
40 1 36 THR O 1 43 GLU N 3.000 . 3.450 2.978 2.776 3.230 . 0 0 "[ . 1 . 2]" 2
41 1 5 ILE O 1 44 ILE H 2.000 . 2.300 1.885 1.804 2.023 . 0 0 "[ . 1 . 2]" 2
42 1 5 ILE O 1 44 ILE N 3.000 . 3.450 2.772 2.606 2.883 . 0 0 "[ . 1 . 2]" 2
43 1 34 THR O 1 45 ARG H 2.000 . 2.300 1.914 1.796 2.103 0.004 20 0 "[ . 1 . 2]" 2
44 1 34 THR O 1 45 ARG N 3.000 . 3.450 2.806 2.620 2.954 . 0 0 "[ . 1 . 2]" 2
45 1 3 MET O 1 46 ILE H 2.000 . 2.300 2.020 1.875 2.311 0.011 2 0 "[ . 1 . 2]" 2
46 1 3 MET O 1 46 ILE N 3.000 . 3.450 2.961 2.799 3.216 . 0 0 "[ . 1 . 2]" 2
47 1 32 THR O 1 47 THR H 2.000 . 2.300 1.921 1.801 2.055 . 0 0 "[ . 1 . 2]" 2
48 1 32 THR O 1 47 THR N 3.000 . 3.450 2.866 2.746 3.026 . 0 0 "[ . 1 . 2]" 2
49 1 53 VAL O 1 57 LEU H 2.000 . 2.300 2.012 1.898 2.133 . 0 0 "[ . 1 . 2]" 2
50 1 53 VAL O 1 57 LEU N 3.000 . 3.450 2.974 2.824 3.103 . 0 0 "[ . 1 . 2]" 2
51 1 54 ARG O 1 58 ALA H 2.000 . 2.300 2.077 1.876 2.356 0.056 9 0 "[ . 1 . 2]" 2
52 1 54 ARG O 1 58 ALA N 3.000 . 3.450 3.018 2.827 3.322 . 0 0 "[ . 1 . 2]" 2
53 1 56 GLU O 1 60 GLU H 2.000 . 2.300 1.964 1.802 2.246 . 0 0 "[ . 1 . 2]" 2
54 1 56 GLU O 1 60 GLU N 3.000 . 3.450 2.867 2.696 3.179 . 0 0 "[ . 1 . 2]" 2
55 1 63 ARG O 1 67 GLU H 2.000 . 2.300 1.995 1.796 2.353 0.053 12 0 "[ . 1 . 2]" 2
56 1 63 ARG O 1 67 GLU N 3.000 . 3.450 2.888 2.651 3.318 . 0 0 "[ . 1 . 2]" 2
57 1 6 ARG O 1 73 THR H 2.000 . 2.300 2.036 1.855 2.319 0.019 17 0 "[ . 1 . 2]" 2
58 1 6 ARG O 1 73 THR N 3.000 . 3.450 2.983 2.806 3.214 . 0 0 "[ . 1 . 2]" 2
59 1 4 ASP O 1 75 THR H 2.000 . 2.300 1.930 1.839 2.296 . 0 0 "[ . 1 . 2]" 2
60 1 4 ASP O 1 75 THR N 3.000 . 3.450 2.818 2.649 3.051 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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