NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
404079 |
1wwx   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wwx
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 2442
_Distance_constraint_stats_list.Viol_count 393
_Distance_constraint_stats_list.Viol_total 43.018
_Distance_constraint_stats_list.Viol_max 0.104
_Distance_constraint_stats_list.Viol_rms 0.0011
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0055
_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 9 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 HIS 0.007 0.003 9 0 "[ . 1 . 2]"
1 11 LEU 0.042 0.017 17 0 "[ . 1 . 2]"
1 12 TRP 0.015 0.006 17 0 "[ . 1 . 2]"
1 13 GLU 0.002 0.002 17 0 "[ . 1 . 2]"
1 14 PHE 0.009 0.003 9 0 "[ . 1 . 2]"
1 15 VAL 0.019 0.010 17 0 "[ . 1 . 2]"
1 16 ARG 0.008 0.006 17 0 "[ . 1 . 2]"
1 17 ASP 0.001 0.000 7 0 "[ . 1 . 2]"
1 18 LEU 0.090 0.011 12 0 "[ . 1 . 2]"
1 19 LEU 0.025 0.007 9 0 "[ . 1 . 2]"
1 20 LEU 0.008 0.004 14 0 "[ . 1 . 2]"
1 21 SER 0.039 0.010 17 0 "[ . 1 . 2]"
1 22 PRO 0.000 0.000 19 0 "[ . 1 . 2]"
1 23 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLU 0.063 0.011 12 0 "[ . 1 . 2]"
1 25 ASN 0.066 0.008 9 0 "[ . 1 . 2]"
1 26 CYS 0.009 0.008 18 0 "[ . 1 . 2]"
1 27 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ILE 0.016 0.006 20 0 "[ . 1 . 2]"
1 29 LEU 0.020 0.007 9 0 "[ . 1 . 2]"
1 30 GLU 0.006 0.003 19 0 "[ . 1 . 2]"
1 31 TRP 0.015 0.005 20 0 "[ . 1 . 2]"
1 32 GLU 0.003 0.003 13 0 "[ . 1 . 2]"
1 33 ASP 0.006 0.006 19 0 "[ . 1 . 2]"
1 34 ARG 0.001 0.001 19 0 "[ . 1 . 2]"
1 35 GLU 0.001 0.001 12 0 "[ . 1 . 2]"
1 36 GLN 0.327 0.049 13 0 "[ . 1 . 2]"
1 37 GLY 0.051 0.012 1 0 "[ . 1 . 2]"
1 38 ILE 0.248 0.066 19 0 "[ . 1 . 2]"
1 39 PHE 0.109 0.066 19 0 "[ . 1 . 2]"
1 40 ARG 0.009 0.005 19 0 "[ . 1 . 2]"
1 41 VAL 0.003 0.002 17 0 "[ . 1 . 2]"
1 42 VAL 0.002 0.002 17 0 "[ . 1 . 2]"
1 43 LYS 0.013 0.004 17 0 "[ . 1 . 2]"
1 44 SER 0.003 0.003 8 0 "[ . 1 . 2]"
1 45 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ALA 0.009 0.004 17 0 "[ . 1 . 2]"
1 47 LEU 0.008 0.003 17 0 "[ . 1 . 2]"
1 48 ALA 0.011 0.005 18 0 "[ . 1 . 2]"
1 49 LYS 0.014 0.006 18 0 "[ . 1 . 2]"
1 50 MET 0.033 0.006 18 0 "[ . 1 . 2]"
1 51 TRP 0.036 0.017 17 0 "[ . 1 . 2]"
1 52 GLY 0.034 0.013 12 0 "[ . 1 . 2]"
1 53 GLN 0.027 0.010 12 0 "[ . 1 . 2]"
1 54 ARG 0.021 0.009 17 0 "[ . 1 . 2]"
1 55 LYS 0.032 0.023 19 0 "[ . 1 . 2]"
1 56 LYS 0.156 0.039 12 0 "[ . 1 . 2]"
1 57 ASN 0.070 0.034 12 0 "[ . 1 . 2]"
1 58 ASP 0.170 0.078 14 0 "[ . 1 . 2]"
1 59 ARG 0.225 0.078 14 0 "[ . 1 . 2]"
1 60 MET 0.158 0.027 14 0 "[ . 1 . 2]"
1 61 THR 0.001 0.001 15 0 "[ . 1 . 2]"
1 62 TYR 0.025 0.010 18 0 "[ . 1 . 2]"
1 63 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LYS 0.015 0.012 18 0 "[ . 1 . 2]"
1 65 LEU 0.031 0.010 18 0 "[ . 1 . 2]"
1 66 SER 0.009 0.003 18 0 "[ . 1 . 2]"
1 67 ARG 0.009 0.004 14 0 "[ . 1 . 2]"
1 68 ALA 0.014 0.005 14 0 "[ . 1 . 2]"
1 69 LEU 0.007 0.004 14 0 "[ . 1 . 2]"
1 70 ARG 0.010 0.005 14 0 "[ . 1 . 2]"
1 71 TYR 0.109 0.017 10 0 "[ . 1 . 2]"
1 72 TYR 0.063 0.012 9 0 "[ . 1 . 2]"
1 73 TYR 0.037 0.007 8 0 "[ . 1 . 2]"
1 74 LYS 0.102 0.023 10 0 "[ . 1 . 2]"
1 75 THR 0.083 0.030 8 0 "[ . 1 . 2]"
1 76 GLY 0.016 0.016 8 0 "[ . 1 . 2]"
1 77 ILE 0.047 0.030 8 0 "[ . 1 . 2]"
1 78 LEU 0.060 0.011 20 0 "[ . 1 . 2]"
1 79 GLU 0.041 0.011 20 0 "[ . 1 . 2]"
1 80 ARG 0.043 0.010 10 0 "[ . 1 . 2]"
1 81 VAL 0.027 0.008 17 0 "[ . 1 . 2]"
1 82 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ARG 0.011 0.008 17 0 "[ . 1 . 2]"
1 84 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 LEU 0.024 0.019 15 0 "[ . 1 . 2]"
1 86 VAL 0.010 0.007 15 0 "[ . 1 . 2]"
1 87 TYR 0.003 0.001 19 0 "[ . 1 . 2]"
1 88 LYS 0.021 0.009 13 0 "[ . 1 . 2]"
1 89 PHE 0.015 0.006 17 0 "[ . 1 . 2]"
1 90 GLY 0.002 0.002 19 0 "[ . 1 . 2]"
1 91 LYS 0.014 0.013 9 0 "[ . 1 . 2]"
1 92 ASN 0.013 0.013 9 0 "[ . 1 . 2]"
1 93 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 TRP 0.029 0.010 10 0 "[ . 1 . 2]"
1 97 GLN 0.241 0.104 20 0 "[ . 1 . 2]"
1 98 GLU 0.018 0.010 20 0 "[ . 1 . 2]"
1 99 ASP 0.014 0.010 20 0 "[ . 1 . 2]"
1 100 LYS 0.001 0.001 6 0 "[ . 1 . 2]"
1 101 LEU 0.001 0.001 6 0 "[ . 1 . 2]"
1 102 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 PRO 0.000 0.000 . 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 9 SER HB2 1 10 HIS H . . 5.500 3.798 2.171 4.667 . 0 0 "[ . 1 . 2]" 1
2 1 9 SER HB3 1 10 HIS H . . 5.500 3.440 1.933 4.645 . 0 0 "[ . 1 . 2]" 1
3 1 10 HIS HA 1 12 TRP H . . 4.670 4.428 4.259 4.664 . 0 0 "[ . 1 . 2]" 1
4 1 10 HIS HA 1 14 PHE H . . 5.500 5.331 4.964 5.503 0.003 9 0 "[ . 1 . 2]" 1
5 1 10 HIS HA 1 51 TRP HH2 . . 5.040 3.666 2.886 4.100 . 0 0 "[ . 1 . 2]" 1
6 1 10 HIS HB2 1 12 TRP H . . 4.480 4.259 3.920 4.437 . 0 0 "[ . 1 . 2]" 1
7 1 10 HIS HB2 1 12 TRP HD1 . . 4.380 3.145 2.688 3.660 . 0 0 "[ . 1 . 2]" 1
8 1 10 HIS HB2 1 12 TRP HE1 . . 4.110 2.788 2.619 3.396 . 0 0 "[ . 1 . 2]" 1
9 1 10 HIS HB2 1 13 GLU H . . 3.860 2.790 2.591 2.915 . 0 0 "[ . 1 . 2]" 1
10 1 10 HIS HB2 1 13 GLU HB2 . . 4.800 2.241 1.995 2.380 . 0 0 "[ . 1 . 2]" 1
11 1 10 HIS HB2 1 13 GLU HG2 . . 4.800 4.291 3.955 4.644 . 0 0 "[ . 1 . 2]" 1
12 1 10 HIS HB2 1 13 GLU HG3 . . 4.490 2.891 2.452 3.463 . 0 0 "[ . 1 . 2]" 1
13 1 10 HIS HB2 1 14 PHE H . . 4.510 4.366 3.759 4.495 . 0 0 "[ . 1 . 2]" 1
14 1 10 HIS HB3 1 11 LEU H . . 4.880 3.179 2.569 3.434 . 0 0 "[ . 1 . 2]" 1
15 1 10 HIS HB3 1 12 TRP H . . 3.800 3.650 3.257 3.798 . 0 0 "[ . 1 . 2]" 1
16 1 10 HIS HB3 1 12 TRP HD1 . . 3.970 2.172 2.003 2.514 . 0 0 "[ . 1 . 2]" 1
17 1 10 HIS HB3 1 12 TRP HE1 . . 4.040 2.796 2.453 3.333 . 0 0 "[ . 1 . 2]" 1
18 1 10 HIS HB3 1 13 GLU H . . 4.160 3.522 3.017 3.781 . 0 0 "[ . 1 . 2]" 1
19 1 10 HIS HB3 1 13 GLU HB2 . . 4.800 3.819 3.298 4.016 . 0 0 "[ . 1 . 2]" 1
20 1 10 HIS HB3 1 13 GLU HG3 . . 4.800 4.338 3.782 4.682 . 0 0 "[ . 1 . 2]" 1
21 1 10 HIS HD2 1 12 TRP HE1 . . 4.160 3.649 3.341 3.956 . 0 0 "[ . 1 . 2]" 1
22 1 10 HIS HD2 1 12 TRP HZ2 . . 4.820 4.388 3.888 4.697 . 0 0 "[ . 1 . 2]" 1
23 1 10 HIS HD2 1 13 GLU HG3 . . 5.480 3.251 2.906 3.672 . 0 0 "[ . 1 . 2]" 1
24 1 10 HIS HE1 1 12 TRP HE1 . . 5.500 5.280 5.048 5.501 0.001 17 0 "[ . 1 . 2]" 1
25 1 11 LEU H 1 12 TRP H . . 4.220 2.909 2.628 3.254 . 0 0 "[ . 1 . 2]" 1
26 1 11 LEU H 1 51 TRP HH2 . . 5.000 3.463 2.558 3.960 . 0 0 "[ . 1 . 2]" 1
27 1 11 LEU HA 1 11 LEU MD1 . . 4.380 2.625 1.981 3.709 . 0 0 "[ . 1 . 2]" 1
28 1 11 LEU HA 1 11 LEU QD . . 3.260 2.169 1.906 2.940 . 0 0 "[ . 1 . 2]" 1
29 1 11 LEU HA 1 11 LEU MD2 . . 4.380 3.308 1.917 4.011 . 0 0 "[ . 1 . 2]" 1
30 1 11 LEU HA 1 11 LEU HG . . 4.200 3.368 2.492 3.818 . 0 0 "[ . 1 . 2]" 1
31 1 11 LEU HA 1 14 PHE H . . 3.700 3.147 2.943 3.470 . 0 0 "[ . 1 . 2]" 1
32 1 11 LEU HA 1 14 PHE HB2 . . 3.810 3.623 3.293 3.807 . 0 0 "[ . 1 . 2]" 1
33 1 11 LEU HA 1 14 PHE HB3 . . 4.060 2.342 2.208 2.493 . 0 0 "[ . 1 . 2]" 1
34 1 11 LEU HA 1 14 PHE QD . . 4.630 3.693 3.393 3.893 . 0 0 "[ . 1 . 2]" 1
35 1 11 LEU HA 1 15 VAL H . . 4.190 3.898 3.686 4.186 . 0 0 "[ . 1 . 2]" 1
36 1 11 LEU HA 1 15 VAL QG . . 4.280 4.222 4.024 4.283 0.003 18 0 "[ . 1 . 2]" 1
37 1 11 LEU HA 1 51 TRP HH2 . . 4.200 3.108 2.852 3.464 . 0 0 "[ . 1 . 2]" 1
38 1 11 LEU HA 1 51 TRP HZ2 . . 4.490 3.619 3.159 3.999 . 0 0 "[ . 1 . 2]" 1
39 1 11 LEU HA 1 51 TRP HZ3 . . 4.630 3.363 2.923 3.972 . 0 0 "[ . 1 . 2]" 1
40 1 11 LEU QB 1 12 TRP H . . 3.240 2.301 2.039 2.478 . 0 0 "[ . 1 . 2]" 1
41 1 11 LEU QB 1 14 PHE H . . 5.340 4.758 4.631 4.943 . 0 0 "[ . 1 . 2]" 1
42 1 11 LEU QB 1 51 TRP HH2 . . 4.390 3.792 3.151 4.214 . 0 0 "[ . 1 . 2]" 1
43 1 11 LEU QB 1 51 TRP HZ2 . . 3.670 2.757 2.319 3.026 . 0 0 "[ . 1 . 2]" 1
44 1 11 LEU QB 1 72 TYR QE . . 3.830 2.371 2.003 2.579 . 0 0 "[ . 1 . 2]" 1
45 1 11 LEU HB2 1 12 TRP H . . 3.870 3.760 3.561 3.870 0.000 7 0 "[ . 1 . 2]" 1
46 1 11 LEU HB2 1 51 TRP HZ2 . . 4.490 2.795 2.336 3.077 . 0 0 "[ . 1 . 2]" 1
47 1 11 LEU HB3 1 12 TRP H . . 3.870 2.323 2.051 2.508 . 0 0 "[ . 1 . 2]" 1
48 1 11 LEU HB3 1 51 TRP HZ2 . . 4.490 4.265 3.936 4.490 0.000 17 0 "[ . 1 . 2]" 1
49 1 11 LEU QD 1 12 TRP H . . 4.400 3.109 2.285 3.555 . 0 0 "[ . 1 . 2]" 1
50 1 11 LEU QD 1 12 TRP HA . . 4.760 3.319 2.287 3.942 . 0 0 "[ . 1 . 2]" 1
51 1 11 LEU QD 1 14 PHE H . . 4.280 3.942 3.670 4.260 . 0 0 "[ . 1 . 2]" 1
52 1 11 LEU QD 1 14 PHE HB2 . . 4.600 4.099 3.809 4.602 0.002 9 0 "[ . 1 . 2]" 1
53 1 11 LEU QD 1 14 PHE HB3 . . 3.920 2.793 2.402 3.217 . 0 0 "[ . 1 . 2]" 1
54 1 11 LEU QD 1 14 PHE QD . . 3.440 2.257 2.011 2.717 . 0 0 "[ . 1 . 2]" 1
55 1 11 LEU QD 1 14 PHE QE . . 4.040 3.388 3.086 3.968 . 0 0 "[ . 1 . 2]" 1
56 1 11 LEU QD 1 15 VAL H . . 3.940 2.971 2.358 3.368 . 0 0 "[ . 1 . 2]" 1
57 1 11 LEU QD 1 15 VAL QG . . 3.210 2.605 1.940 3.046 . 0 0 "[ . 1 . 2]" 1
58 1 11 LEU QD 1 51 TRP HB2 . . 4.340 3.052 2.751 3.685 . 0 0 "[ . 1 . 2]" 1
59 1 11 LEU QD 1 51 TRP HE1 . . 3.760 3.105 2.185 3.473 . 0 0 "[ . 1 . 2]" 1
60 1 11 LEU QD 1 51 TRP HE3 . . 4.760 3.446 3.134 4.312 . 0 0 "[ . 1 . 2]" 1
61 1 11 LEU QD 1 51 TRP HH2 . . 4.520 4.189 3.486 4.435 . 0 0 "[ . 1 . 2]" 1
62 1 11 LEU QD 1 51 TRP HZ2 . . 4.330 3.636 3.101 3.935 . 0 0 "[ . 1 . 2]" 1
63 1 11 LEU QD 1 65 LEU HA . . 4.460 3.587 3.258 4.260 . 0 0 "[ . 1 . 2]" 1
64 1 11 LEU QD 1 65 LEU MD1 . . 3.260 1.947 1.771 2.210 . 0 0 "[ . 1 . 2]" 1
65 1 11 LEU QD 1 65 LEU MD2 . . 3.610 2.373 1.968 2.893 . 0 0 "[ . 1 . 2]" 1
66 1 11 LEU QD 1 65 LEU HG . . 3.450 2.068 1.858 2.671 . 0 0 "[ . 1 . 2]" 1
67 1 11 LEU QD 1 68 ALA H . . 4.520 3.876 3.431 4.418 . 0 0 "[ . 1 . 2]" 1
68 1 11 LEU QD 1 68 ALA HA . . 4.850 4.465 4.100 4.850 . 0 0 "[ . 1 . 2]" 1
69 1 11 LEU QD 1 68 ALA MB . . 3.010 2.058 1.765 2.622 . 0 0 "[ . 1 . 2]" 1
70 1 11 LEU QD 1 69 LEU H . . 3.970 3.455 3.149 3.851 . 0 0 "[ . 1 . 2]" 1
71 1 11 LEU QD 1 69 LEU HA . . 5.000 3.681 3.305 4.062 . 0 0 "[ . 1 . 2]" 1
72 1 11 LEU QD 1 69 LEU QD . . 3.570 1.933 1.707 2.245 . 0 0 "[ . 1 . 2]" 1
73 1 11 LEU QD 1 69 LEU HG . . 3.510 2.888 2.426 3.413 . 0 0 "[ . 1 . 2]" 1
74 1 11 LEU QD 1 72 TYR QD . . 5.140 3.528 3.132 4.082 . 0 0 "[ . 1 . 2]" 1
75 1 11 LEU QD 1 72 TYR QE . . 3.830 2.278 1.920 2.814 . 0 0 "[ . 1 . 2]" 1
76 1 11 LEU MD1 1 15 VAL H . . 5.140 3.348 2.361 5.140 . 0 0 "[ . 1 . 2]" 1
77 1 11 LEU MD1 1 51 TRP HE1 . . 4.880 3.901 2.187 4.897 0.017 17 0 "[ . 1 . 2]" 1
78 1 11 LEU MD1 1 51 TRP HZ2 . . 5.210 4.303 3.130 5.191 . 0 0 "[ . 1 . 2]" 1
79 1 11 LEU MD1 1 65 LEU MD1 . . 3.900 2.460 1.784 3.733 . 0 0 "[ . 1 . 2]" 1
80 1 11 LEU MD1 1 65 LEU HG . . 3.950 2.902 1.934 3.498 . 0 0 "[ . 1 . 2]" 1
81 1 11 LEU MD1 1 68 ALA MB . . 4.490 3.439 1.911 4.485 . 0 0 "[ . 1 . 2]" 1
82 1 11 LEU MD2 1 15 VAL H . . 5.140 4.431 2.684 5.138 . 0 0 "[ . 1 . 2]" 1
83 1 11 LEU MD2 1 51 TRP HE1 . . 4.880 3.605 2.306 4.884 0.004 9 0 "[ . 1 . 2]" 1
84 1 11 LEU MD2 1 51 TRP HZ2 . . 5.210 4.282 3.259 5.032 . 0 0 "[ . 1 . 2]" 1
85 1 11 LEU MD2 1 65 LEU MD1 . . 3.900 2.521 1.906 3.519 . 0 0 "[ . 1 . 2]" 1
86 1 11 LEU MD2 1 65 LEU HG . . 3.950 2.209 1.871 3.384 . 0 0 "[ . 1 . 2]" 1
87 1 11 LEU MD2 1 68 ALA MB . . 4.490 2.551 1.768 3.967 . 0 0 "[ . 1 . 2]" 1
88 1 11 LEU HG 1 12 TRP H . . 4.550 3.510 2.696 4.553 0.003 9 0 "[ . 1 . 2]" 1
89 1 11 LEU HG 1 12 TRP HA . . 5.400 3.902 2.913 5.400 0.000 8 0 "[ . 1 . 2]" 1
90 1 11 LEU HG 1 72 TYR QE . . 4.560 3.421 2.830 4.563 0.003 9 0 "[ . 1 . 2]" 1
91 1 12 TRP H 1 12 TRP HB2 . . 3.600 3.541 3.525 3.564 . 0 0 "[ . 1 . 2]" 1
92 1 12 TRP H 1 12 TRP QB . . 3.030 2.238 2.207 2.309 . 0 0 "[ . 1 . 2]" 1
93 1 12 TRP H 1 12 TRP HB3 . . 3.600 2.262 2.230 2.338 . 0 0 "[ . 1 . 2]" 1
94 1 12 TRP H 1 12 TRP HD1 . . 3.440 2.869 2.640 3.023 . 0 0 "[ . 1 . 2]" 1
95 1 12 TRP H 1 12 TRP HE1 . . 5.280 5.131 4.840 5.249 . 0 0 "[ . 1 . 2]" 1
96 1 12 TRP H 1 12 TRP HE3 . . 5.500 5.371 5.269 5.420 . 0 0 "[ . 1 . 2]" 1
97 1 12 TRP H 1 13 GLU H . . 3.570 2.894 2.736 2.955 . 0 0 "[ . 1 . 2]" 1
98 1 12 TRP H 1 13 GLU HB2 . . 5.100 4.806 4.643 4.894 . 0 0 "[ . 1 . 2]" 1
99 1 12 TRP H 1 14 PHE H . . 4.730 4.305 4.135 4.438 . 0 0 "[ . 1 . 2]" 1
100 1 12 TRP H 1 15 VAL QG . . 4.690 3.890 3.734 4.130 . 0 0 "[ . 1 . 2]" 1
101 1 12 TRP H 1 69 LEU QD . . 4.920 4.662 4.431 4.901 . 0 0 "[ . 1 . 2]" 1
102 1 12 TRP H 1 72 TYR QD . . 5.100 4.445 4.180 4.688 . 0 0 "[ . 1 . 2]" 1
103 1 12 TRP H 1 72 TYR QE . . 3.440 2.493 2.288 2.675 . 0 0 "[ . 1 . 2]" 1
104 1 12 TRP H 1 77 ILE MG . . 4.580 4.127 3.878 4.364 . 0 0 "[ . 1 . 2]" 1
105 1 12 TRP HA 1 14 PHE H . . 4.800 4.528 4.308 4.686 . 0 0 "[ . 1 . 2]" 1
106 1 12 TRP HA 1 15 VAL H . . 4.210 3.938 3.715 4.211 0.001 9 0 "[ . 1 . 2]" 1
107 1 12 TRP HA 1 15 VAL MG1 . . 5.050 2.182 2.019 2.535 . 0 0 "[ . 1 . 2]" 1
108 1 12 TRP HA 1 15 VAL QG . . 3.590 2.178 2.016 2.528 . 0 0 "[ . 1 . 2]" 1
109 1 12 TRP HA 1 15 VAL MG2 . . 5.050 4.599 4.422 4.925 . 0 0 "[ . 1 . 2]" 1
110 1 12 TRP HA 1 69 LEU QD . . 4.250 4.020 3.607 4.216 . 0 0 "[ . 1 . 2]" 1
111 1 12 TRP HA 1 72 TYR QE . . 4.280 3.677 3.251 4.037 . 0 0 "[ . 1 . 2]" 1
112 1 12 TRP HA 1 77 ILE MG . . 4.380 4.101 3.712 4.384 0.004 20 0 "[ . 1 . 2]" 1
113 1 12 TRP HA 1 89 PHE QE . . 4.530 2.891 2.588 3.259 . 0 0 "[ . 1 . 2]" 1
114 1 12 TRP QB 1 12 TRP HE1 . . 4.580 4.427 4.417 4.439 . 0 0 "[ . 1 . 2]" 1
115 1 12 TRP QB 1 12 TRP HE3 . . 3.600 2.606 2.542 2.660 . 0 0 "[ . 1 . 2]" 1
116 1 12 TRP QB 1 15 VAL QG . . 5.260 3.557 3.397 3.867 . 0 0 "[ . 1 . 2]" 1
117 1 12 TRP QB 1 72 TYR QE . . 3.950 2.773 2.483 3.027 . 0 0 "[ . 1 . 2]" 1
118 1 12 TRP QB 1 77 ILE MG . . 3.190 2.110 1.872 2.332 . 0 0 "[ . 1 . 2]" 1
119 1 12 TRP QB 1 89 PHE QE . . 4.350 2.759 2.348 3.211 . 0 0 "[ . 1 . 2]" 1
120 1 12 TRP HB2 1 72 TYR QE . . 4.630 4.185 3.832 4.514 . 0 0 "[ . 1 . 2]" 1
121 1 12 TRP HB2 1 77 ILE MG . . 3.640 2.427 2.104 2.699 . 0 0 "[ . 1 . 2]" 1
122 1 12 TRP HB3 1 72 TYR QE . . 4.630 2.815 2.514 3.075 . 0 0 "[ . 1 . 2]" 1
123 1 12 TRP HB3 1 77 ILE MG . . 3.640 2.327 2.098 2.550 . 0 0 "[ . 1 . 2]" 1
124 1 12 TRP HD1 1 13 GLU H . . 4.800 3.410 3.186 3.598 . 0 0 "[ . 1 . 2]" 1
125 1 12 TRP HD1 1 72 TYR QE . . 3.740 2.888 2.551 3.252 . 0 0 "[ . 1 . 2]" 1
126 1 12 TRP HD1 1 77 ILE MD . . 3.770 3.339 2.944 3.723 . 0 0 "[ . 1 . 2]" 1
127 1 12 TRP HD1 1 77 ILE MG . . 3.900 2.979 2.585 3.346 . 0 0 "[ . 1 . 2]" 1
128 1 12 TRP HE1 1 13 GLU H . . 4.880 4.171 3.913 4.385 . 0 0 "[ . 1 . 2]" 1
129 1 12 TRP HE1 1 13 GLU HG2 . . 4.610 4.403 4.151 4.610 . 0 0 "[ . 1 . 2]" 1
130 1 12 TRP HE1 1 13 GLU HG3 . . 4.190 3.133 2.908 3.444 . 0 0 "[ . 1 . 2]" 1
131 1 12 TRP HE1 1 72 TYR QE . . 5.030 4.622 4.394 4.837 . 0 0 "[ . 1 . 2]" 1
132 1 12 TRP HE1 1 77 ILE MD . . 3.460 3.101 2.659 3.455 . 0 0 "[ . 1 . 2]" 1
133 1 12 TRP HE1 1 77 ILE MG . . 4.450 4.050 3.746 4.371 . 0 0 "[ . 1 . 2]" 1
134 1 12 TRP HE3 1 13 GLU H . . 4.800 4.184 4.037 4.375 . 0 0 "[ . 1 . 2]" 1
135 1 12 TRP HE3 1 13 GLU HA . . 4.380 3.277 3.127 3.466 . 0 0 "[ . 1 . 2]" 1
136 1 12 TRP HE3 1 13 GLU HG2 . . 4.910 3.907 3.552 4.189 . 0 0 "[ . 1 . 2]" 1
137 1 12 TRP HE3 1 13 GLU HG3 . . 5.500 4.873 4.671 5.145 . 0 0 "[ . 1 . 2]" 1
138 1 12 TRP HE3 1 15 VAL QG . . 5.030 4.225 4.051 4.554 . 0 0 "[ . 1 . 2]" 1
139 1 12 TRP HE3 1 16 ARG H . . 4.850 4.681 4.474 4.856 0.006 17 0 "[ . 1 . 2]" 1
140 1 12 TRP HE3 1 16 ARG QB . . 4.530 2.932 2.722 3.185 . 0 0 "[ . 1 . 2]" 1
141 1 12 TRP HE3 1 77 ILE MG . . 4.800 3.659 3.325 3.903 . 0 0 "[ . 1 . 2]" 1
142 1 12 TRP HE3 1 89 PHE QE . . 4.000 2.656 2.298 3.183 . 0 0 "[ . 1 . 2]" 1
143 1 12 TRP HE3 1 93 ALA MB . . 4.060 2.726 2.338 3.098 . 0 0 "[ . 1 . 2]" 1
144 1 12 TRP HH2 1 93 ALA HA . . 4.200 3.697 3.288 4.104 . 0 0 "[ . 1 . 2]" 1
145 1 12 TRP HH2 1 93 ALA MB . . 4.380 3.720 3.305 4.233 . 0 0 "[ . 1 . 2]" 1
146 1 12 TRP HH2 1 94 HIS H . . 3.100 2.295 1.919 2.793 . 0 0 "[ . 1 . 2]" 1
147 1 12 TRP HH2 1 94 HIS HE1 . . 4.800 4.090 2.985 4.780 . 0 0 "[ . 1 . 2]" 1
148 1 12 TRP HZ2 1 13 GLU HG2 . . 4.800 3.178 3.039 3.399 . 0 0 "[ . 1 . 2]" 1
149 1 12 TRP HZ2 1 13 GLU HG3 . . 4.800 2.571 2.367 2.793 . 0 0 "[ . 1 . 2]" 1
150 1 12 TRP HZ2 1 77 ILE MD . . 4.490 4.048 3.727 4.277 . 0 0 "[ . 1 . 2]" 1
151 1 12 TRP HZ2 1 93 ALA HA . . 5.500 4.093 3.721 4.572 . 0 0 "[ . 1 . 2]" 1
152 1 12 TRP HZ2 1 94 HIS H . . 4.380 3.839 3.459 4.376 . 0 0 "[ . 1 . 2]" 1
153 1 12 TRP HZ2 1 94 HIS HD2 . . 4.770 4.283 3.036 4.770 . 0 0 "[ . 1 . 2]" 1
154 1 12 TRP HZ2 1 94 HIS HE1 . . 4.800 4.009 2.743 4.613 . 0 0 "[ . 1 . 2]" 1
155 1 12 TRP HZ3 1 13 GLU HA . . 4.730 3.711 3.494 3.990 . 0 0 "[ . 1 . 2]" 1
156 1 12 TRP HZ3 1 16 ARG HD2 . . 4.200 3.583 3.196 4.056 . 0 0 "[ . 1 . 2]" 1
157 1 12 TRP HZ3 1 16 ARG QD . . 3.650 2.223 1.988 2.684 . 0 0 "[ . 1 . 2]" 1
158 1 12 TRP HZ3 1 16 ARG HD3 . . 4.200 2.246 2.000 2.724 . 0 0 "[ . 1 . 2]" 1
159 1 12 TRP HZ3 1 93 ALA HA . . 4.740 3.967 3.443 4.401 . 0 0 "[ . 1 . 2]" 1
160 1 12 TRP HZ3 1 93 ALA MB . . 3.740 2.661 2.380 3.164 . 0 0 "[ . 1 . 2]" 1
161 1 12 TRP HZ3 1 94 HIS H . . 4.200 3.051 2.307 3.871 . 0 0 "[ . 1 . 2]" 1
162 1 13 GLU H 1 13 GLU HB2 . . 3.470 2.130 2.086 2.232 . 0 0 "[ . 1 . 2]" 1
163 1 13 GLU H 1 13 GLU HB3 . . 3.860 3.415 3.347 3.522 . 0 0 "[ . 1 . 2]" 1
164 1 13 GLU H 1 13 GLU HG2 . . 3.940 3.695 3.518 3.867 . 0 0 "[ . 1 . 2]" 1
165 1 13 GLU H 1 13 GLU HG3 . . 3.660 3.477 3.206 3.662 0.002 17 0 "[ . 1 . 2]" 1
166 1 13 GLU H 1 14 PHE H . . 3.170 2.508 2.362 2.633 . 0 0 "[ . 1 . 2]" 1
167 1 13 GLU H 1 14 PHE HB2 . . 5.500 5.301 5.135 5.444 . 0 0 "[ . 1 . 2]" 1
168 1 13 GLU H 1 14 PHE HB3 . . 4.560 4.397 4.239 4.520 . 0 0 "[ . 1 . 2]" 1
169 1 13 GLU H 1 15 VAL H . . 4.510 4.346 4.140 4.488 . 0 0 "[ . 1 . 2]" 1
170 1 13 GLU HA 1 13 GLU HG2 . . 3.810 2.068 2.033 2.156 . 0 0 "[ . 1 . 2]" 1
171 1 13 GLU HA 1 13 GLU HG3 . . 4.060 3.278 3.152 3.363 . 0 0 "[ . 1 . 2]" 1
172 1 13 GLU HA 1 15 VAL H . . 5.030 4.784 4.584 4.944 . 0 0 "[ . 1 . 2]" 1
173 1 13 GLU HA 1 15 VAL QG . . 5.440 4.245 4.065 4.359 . 0 0 "[ . 1 . 2]" 1
174 1 13 GLU HA 1 16 ARG H . . 3.780 3.549 3.256 3.691 . 0 0 "[ . 1 . 2]" 1
175 1 13 GLU HA 1 16 ARG HB2 . . 4.200 3.537 3.048 3.720 . 0 0 "[ . 1 . 2]" 1
176 1 13 GLU HA 1 16 ARG QB . . 3.510 2.429 2.131 2.560 . 0 0 "[ . 1 . 2]" 1
177 1 13 GLU HA 1 16 ARG HB3 . . 4.200 2.474 2.175 2.616 . 0 0 "[ . 1 . 2]" 1
178 1 13 GLU HA 1 16 ARG HE . . 4.800 3.905 3.450 4.409 . 0 0 "[ . 1 . 2]" 1
179 1 13 GLU HA 1 16 ARG HG2 . . 5.500 5.122 4.847 5.283 . 0 0 "[ . 1 . 2]" 1
180 1 13 GLU HA 1 16 ARG HG3 . . 5.500 4.816 4.413 5.107 . 0 0 "[ . 1 . 2]" 1
181 1 13 GLU HA 1 17 ASP H . . 4.630 3.841 3.588 4.047 . 0 0 "[ . 1 . 2]" 1
182 1 13 GLU HA 1 89 PHE QE . . 4.800 4.565 4.218 4.793 . 0 0 "[ . 1 . 2]" 1
183 1 13 GLU HB2 1 14 PHE H . . 3.550 2.948 2.869 3.026 . 0 0 "[ . 1 . 2]" 1
184 1 13 GLU HB3 1 14 PHE H . . 3.890 3.192 2.955 3.492 . 0 0 "[ . 1 . 2]" 1
185 1 13 GLU HG2 1 14 PHE H . . 5.130 4.907 4.870 4.960 . 0 0 "[ . 1 . 2]" 1
186 1 13 GLU HG3 1 14 PHE H . . 5.030 4.991 4.834 5.030 0.000 9 0 "[ . 1 . 2]" 1
187 1 14 PHE H 1 14 PHE HB2 . . 3.140 2.905 2.838 2.976 . 0 0 "[ . 1 . 2]" 1
188 1 14 PHE H 1 14 PHE HB3 . . 3.040 2.215 2.176 2.272 . 0 0 "[ . 1 . 2]" 1
189 1 14 PHE H 1 14 PHE QD . . 4.260 3.948 3.854 4.046 . 0 0 "[ . 1 . 2]" 1
190 1 14 PHE H 1 15 VAL H . . 3.300 2.817 2.686 2.985 . 0 0 "[ . 1 . 2]" 1
191 1 14 PHE H 1 15 VAL QG . . 4.360 3.693 3.595 3.935 . 0 0 "[ . 1 . 2]" 1
192 1 14 PHE H 1 51 TRP HZ3 . . 4.430 4.201 3.881 4.428 . 0 0 "[ . 1 . 2]" 1
193 1 14 PHE HA 1 14 PHE QD . . 3.560 3.107 3.019 3.184 . 0 0 "[ . 1 . 2]" 1
194 1 14 PHE HA 1 17 ASP H . . 4.380 3.655 3.520 3.815 . 0 0 "[ . 1 . 2]" 1
195 1 14 PHE HA 1 17 ASP HB2 . . 4.120 3.356 2.909 3.762 . 0 0 "[ . 1 . 2]" 1
196 1 14 PHE HA 1 17 ASP QB . . 3.560 2.975 2.827 3.238 . 0 0 "[ . 1 . 2]" 1
197 1 14 PHE HA 1 17 ASP HB3 . . 4.120 3.408 3.078 3.851 . 0 0 "[ . 1 . 2]" 1
198 1 14 PHE HA 1 18 LEU H . . 5.210 4.558 4.305 4.875 . 0 0 "[ . 1 . 2]" 1
199 1 14 PHE HB2 1 15 VAL H . . 4.080 3.902 3.811 3.998 . 0 0 "[ . 1 . 2]" 1
200 1 14 PHE HB2 1 51 TRP HZ3 . . 4.120 2.152 1.997 2.472 . 0 0 "[ . 1 . 2]" 1
201 1 14 PHE HB3 1 15 VAL H . . 3.200 2.559 2.448 2.705 . 0 0 "[ . 1 . 2]" 1
202 1 14 PHE HB3 1 51 TRP HE3 . . 5.010 3.214 2.989 3.507 . 0 0 "[ . 1 . 2]" 1
203 1 14 PHE HB3 1 51 TRP HZ3 . . 4.630 2.880 2.460 3.279 . 0 0 "[ . 1 . 2]" 1
204 1 14 PHE QD 1 15 VAL H . . 3.630 2.237 2.076 2.460 . 0 0 "[ . 1 . 2]" 1
205 1 14 PHE QD 1 15 VAL HA . . 4.280 3.028 2.834 3.251 . 0 0 "[ . 1 . 2]" 1
206 1 14 PHE QD 1 15 VAL MG1 . . 4.280 3.339 3.045 3.534 . 0 0 "[ . 1 . 2]" 1
207 1 14 PHE QD 1 15 VAL QG . . 3.390 3.199 2.972 3.338 . 0 0 "[ . 1 . 2]" 1
208 1 14 PHE QD 1 15 VAL MG2 . . 4.280 4.117 4.003 4.233 . 0 0 "[ . 1 . 2]" 1
209 1 14 PHE QD 1 18 LEU QD . . 4.480 3.388 3.098 3.675 . 0 0 "[ . 1 . 2]" 1
210 1 14 PHE QD 1 47 LEU QD . . 4.040 3.269 2.727 3.844 . 0 0 "[ . 1 . 2]" 1
211 1 14 PHE QD 1 51 TRP HE3 . . 4.380 2.865 2.575 3.114 . 0 0 "[ . 1 . 2]" 1
212 1 14 PHE QD 1 51 TRP HZ3 . . 4.380 3.437 3.164 3.803 . 0 0 "[ . 1 . 2]" 1
213 1 14 PHE QD 1 54 ARG HB3 . . 5.120 4.231 4.017 4.594 . 0 0 "[ . 1 . 2]" 1
214 1 14 PHE QD 1 54 ARG QD . . 4.120 3.831 3.461 4.118 . 0 0 "[ . 1 . 2]" 1
215 1 14 PHE QD 1 54 ARG HG2 . . 5.300 3.750 3.321 3.967 . 0 0 "[ . 1 . 2]" 1
216 1 14 PHE QE 1 15 VAL H . . 4.710 4.338 4.173 4.493 . 0 0 "[ . 1 . 2]" 1
217 1 14 PHE QE 1 15 VAL QG . . 4.610 3.913 3.740 4.095 . 0 0 "[ . 1 . 2]" 1
218 1 14 PHE QE 1 18 LEU MD1 . . 4.690 2.881 2.569 3.329 . 0 0 "[ . 1 . 2]" 1
219 1 14 PHE QE 1 18 LEU QD . . 3.850 2.789 2.528 3.153 . 0 0 "[ . 1 . 2]" 1
220 1 14 PHE QE 1 18 LEU MD2 . . 4.690 3.828 3.508 4.083 . 0 0 "[ . 1 . 2]" 1
221 1 14 PHE QE 1 47 LEU HA . . 4.950 3.692 3.038 4.049 . 0 0 "[ . 1 . 2]" 1
222 1 14 PHE QE 1 47 LEU QD . . 3.300 1.959 1.891 2.416 . 0 0 "[ . 1 . 2]" 1
223 1 14 PHE QE 1 47 LEU HG . . 4.950 3.494 2.623 4.182 . 0 0 "[ . 1 . 2]" 1
224 1 14 PHE QE 1 50 MET HA . . 5.030 4.656 4.244 4.869 . 0 0 "[ . 1 . 2]" 1
225 1 14 PHE QE 1 50 MET HB3 . . 4.180 2.663 2.209 2.935 . 0 0 "[ . 1 . 2]" 1
226 1 14 PHE QE 1 50 MET ME . . 3.740 2.557 2.130 2.896 . 0 0 "[ . 1 . 2]" 1
227 1 14 PHE QE 1 50 MET HG2 . . 5.420 5.218 4.838 5.418 . 0 0 "[ . 1 . 2]" 1
228 1 14 PHE QE 1 50 MET QG . . 4.730 4.508 4.259 4.705 . 0 0 "[ . 1 . 2]" 1
229 1 14 PHE QE 1 50 MET HG3 . . 5.420 4.943 4.644 5.410 . 0 0 "[ . 1 . 2]" 1
230 1 14 PHE QE 1 51 TRP H . . 5.040 3.524 3.302 3.795 . 0 0 "[ . 1 . 2]" 1
231 1 14 PHE QE 1 51 TRP HA . . 4.490 3.093 2.618 3.288 . 0 0 "[ . 1 . 2]" 1
232 1 14 PHE QE 1 51 TRP HB2 . . 4.040 2.606 2.342 2.936 . 0 0 "[ . 1 . 2]" 1
233 1 14 PHE QE 1 51 TRP HE3 . . 4.800 3.521 3.255 3.771 . 0 0 "[ . 1 . 2]" 1
234 1 14 PHE QE 1 54 ARG H . . 5.100 4.986 4.687 5.099 . 0 0 "[ . 1 . 2]" 1
235 1 14 PHE QE 1 54 ARG QD . . 3.830 2.995 2.726 3.330 . 0 0 "[ . 1 . 2]" 1
236 1 14 PHE QE 1 54 ARG HG2 . . 4.490 3.310 2.959 3.479 . 0 0 "[ . 1 . 2]" 1
237 1 14 PHE QE 1 54 ARG HG3 . . 4.800 2.931 2.607 3.311 . 0 0 "[ . 1 . 2]" 1
238 1 14 PHE QE 1 65 LEU MD1 . . 4.380 3.485 3.027 3.879 . 0 0 "[ . 1 . 2]" 1
239 1 14 PHE HZ 1 18 LEU MD1 . . 5.210 2.996 2.435 3.739 . 0 0 "[ . 1 . 2]" 1
240 1 14 PHE HZ 1 18 LEU QD . . 4.210 2.824 2.414 3.274 . 0 0 "[ . 1 . 2]" 1
241 1 14 PHE HZ 1 18 LEU MD2 . . 5.210 3.814 3.251 4.289 . 0 0 "[ . 1 . 2]" 1
242 1 14 PHE HZ 1 47 LEU HA . . 5.340 3.794 3.194 4.132 . 0 0 "[ . 1 . 2]" 1
243 1 14 PHE HZ 1 47 LEU QD . . 3.420 3.332 3.150 3.420 0.000 18 0 "[ . 1 . 2]" 1
244 1 14 PHE HZ 1 50 MET H . . 4.470 4.206 3.778 4.444 . 0 0 "[ . 1 . 2]" 1
245 1 14 PHE HZ 1 50 MET HA . . 5.340 4.426 4.270 4.734 . 0 0 "[ . 1 . 2]" 1
246 1 14 PHE HZ 1 50 MET HB2 . . 3.760 2.512 2.123 2.847 . 0 0 "[ . 1 . 2]" 1
247 1 14 PHE HZ 1 50 MET HB3 . . 3.950 2.099 1.997 2.481 . 0 0 "[ . 1 . 2]" 1
248 1 14 PHE HZ 1 50 MET ME . . 4.020 2.709 2.503 3.078 . 0 0 "[ . 1 . 2]" 1
249 1 14 PHE HZ 1 50 MET QG . . 4.400 3.925 3.768 4.322 . 0 0 "[ . 1 . 2]" 1
250 1 14 PHE HZ 1 51 TRP H . . 3.760 2.823 2.343 3.172 . 0 0 "[ . 1 . 2]" 1
251 1 14 PHE HZ 1 51 TRP HA . . 4.800 3.274 2.985 3.568 . 0 0 "[ . 1 . 2]" 1
252 1 14 PHE HZ 1 51 TRP HB2 . . 4.950 3.431 2.915 3.759 . 0 0 "[ . 1 . 2]" 1
253 1 15 VAL H 1 15 VAL HB . . 3.000 2.647 2.571 2.747 . 0 0 "[ . 1 . 2]" 1
254 1 15 VAL H 1 15 VAL MG1 . . 3.870 1.941 1.874 2.033 . 0 0 "[ . 1 . 2]" 1
255 1 15 VAL H 1 15 VAL QG . . 2.880 1.935 1.869 2.024 . 0 0 "[ . 1 . 2]" 1
256 1 15 VAL H 1 15 VAL MG2 . . 3.870 3.761 3.750 3.771 . 0 0 "[ . 1 . 2]" 1
257 1 15 VAL H 1 16 ARG QB . . 5.050 4.410 4.257 4.484 . 0 0 "[ . 1 . 2]" 1
258 1 15 VAL H 1 18 LEU QD . . 5.340 4.220 4.019 4.427 . 0 0 "[ . 1 . 2]" 1
259 1 15 VAL H 1 47 LEU QD . . 4.750 4.270 3.746 4.687 . 0 0 "[ . 1 . 2]" 1
260 1 15 VAL H 1 89 PHE HZ . . 5.400 5.213 5.034 5.396 . 0 0 "[ . 1 . 2]" 1
261 1 15 VAL HA 1 15 VAL MG1 . . 3.320 3.198 3.188 3.203 . 0 0 "[ . 1 . 2]" 1
262 1 15 VAL HA 1 15 VAL MG2 . . 3.320 2.415 2.338 2.473 . 0 0 "[ . 1 . 2]" 1
263 1 15 VAL HA 1 16 ARG HA . . 5.100 4.765 4.693 4.828 . 0 0 "[ . 1 . 2]" 1
264 1 15 VAL HA 1 18 LEU H . . 4.050 3.708 3.547 3.842 . 0 0 "[ . 1 . 2]" 1
265 1 15 VAL HA 1 18 LEU HB2 . . 3.900 3.082 2.965 3.223 . 0 0 "[ . 1 . 2]" 1
266 1 15 VAL HA 1 18 LEU MD1 . . 4.750 2.377 1.973 2.928 . 0 0 "[ . 1 . 2]" 1
267 1 15 VAL HA 1 18 LEU QD . . 3.450 2.314 1.971 2.746 . 0 0 "[ . 1 . 2]" 1
268 1 15 VAL HA 1 18 LEU MD2 . . 4.750 4.080 3.194 4.750 0.000 20 0 "[ . 1 . 2]" 1
269 1 15 VAL HA 1 19 LEU H . . 5.260 4.992 4.834 5.203 . 0 0 "[ . 1 . 2]" 1
270 1 15 VAL HA 1 29 LEU MD1 . . 3.620 2.934 2.734 3.175 . 0 0 "[ . 1 . 2]" 1
271 1 15 VAL HA 1 47 LEU QD . . 4.050 3.051 2.335 3.465 . 0 0 "[ . 1 . 2]" 1
272 1 15 VAL HB 1 18 LEU QD . . 4.350 4.056 3.777 4.360 0.010 17 0 "[ . 1 . 2]" 1
273 1 15 VAL HB 1 29 LEU MD1 . . 4.060 3.971 3.832 4.061 0.001 15 0 "[ . 1 . 2]" 1
274 1 15 VAL HB 1 47 LEU QD . . 4.670 2.431 1.964 2.985 . 0 0 "[ . 1 . 2]" 1
275 1 15 VAL QG 1 16 ARG HA . . 4.600 3.050 2.974 3.182 . 0 0 "[ . 1 . 2]" 1
276 1 15 VAL QG 1 19 LEU H . . 4.630 4.334 4.150 4.607 . 0 0 "[ . 1 . 2]" 1
277 1 15 VAL QG 1 19 LEU MD1 . . 3.580 3.097 2.842 3.379 . 0 0 "[ . 1 . 2]" 1
278 1 15 VAL QG 1 29 LEU MD1 . . 3.220 1.929 1.796 2.155 . 0 0 "[ . 1 . 2]" 1
279 1 15 VAL QG 1 29 LEU MD2 . . 3.270 2.036 1.864 2.328 . 0 0 "[ . 1 . 2]" 1
280 1 15 VAL QG 1 39 PHE QE . . 4.290 2.262 1.968 2.658 . 0 0 "[ . 1 . 2]" 1
281 1 15 VAL QG 1 39 PHE HZ . . 3.590 2.855 2.475 3.375 . 0 0 "[ . 1 . 2]" 1
282 1 15 VAL QG 1 47 LEU QD . . 3.190 2.123 1.868 2.442 . 0 0 "[ . 1 . 2]" 1
283 1 15 VAL QG 1 89 PHE QE . . 3.950 2.560 2.357 2.794 . 0 0 "[ . 1 . 2]" 1
284 1 15 VAL QG 1 89 PHE HZ . . 3.590 2.236 1.951 2.567 . 0 0 "[ . 1 . 2]" 1
285 1 15 VAL MG1 1 16 ARG H . . 3.740 2.077 1.862 2.447 . 0 0 "[ . 1 . 2]" 1
286 1 15 VAL MG1 1 39 PHE HZ . . 4.490 3.288 2.775 3.836 . 0 0 "[ . 1 . 2]" 1
287 1 15 VAL MG1 1 89 PHE QE . . 4.490 2.600 2.383 2.847 . 0 0 "[ . 1 . 2]" 1
288 1 15 VAL MG1 1 89 PHE HZ . . 4.380 2.332 1.971 2.792 . 0 0 "[ . 1 . 2]" 1
289 1 15 VAL MG2 1 16 ARG H . . 3.740 3.551 3.395 3.737 . 0 0 "[ . 1 . 2]" 1
290 1 15 VAL MG2 1 39 PHE HZ . . 4.490 3.149 2.651 3.744 . 0 0 "[ . 1 . 2]" 1
291 1 15 VAL MG2 1 89 PHE QE . . 4.490 3.862 3.561 4.057 . 0 0 "[ . 1 . 2]" 1
292 1 15 VAL MG2 1 89 PHE HZ . . 4.380 2.996 2.554 3.286 . 0 0 "[ . 1 . 2]" 1
293 1 16 ARG H 1 16 ARG HB2 . . 3.200 2.629 2.510 2.718 . 0 0 "[ . 1 . 2]" 1
294 1 16 ARG H 1 16 ARG QB . . 2.740 2.248 2.227 2.277 . 0 0 "[ . 1 . 2]" 1
295 1 16 ARG H 1 16 ARG HB3 . . 3.200 2.448 2.380 2.551 . 0 0 "[ . 1 . 2]" 1
296 1 16 ARG H 1 16 ARG QD . . 5.050 4.636 4.518 4.767 . 0 0 "[ . 1 . 2]" 1
297 1 16 ARG H 1 16 ARG HE . . 4.700 4.223 3.940 4.648 . 0 0 "[ . 1 . 2]" 1
298 1 16 ARG H 1 16 ARG HG2 . . 5.350 4.395 4.375 4.419 . 0 0 "[ . 1 . 2]" 1
299 1 16 ARG H 1 16 ARG QG . . 4.550 3.999 3.982 4.021 . 0 0 "[ . 1 . 2]" 1
300 1 16 ARG H 1 16 ARG HG3 . . 5.350 4.599 4.535 4.654 . 0 0 "[ . 1 . 2]" 1
301 1 16 ARG H 1 17 ASP H . . 3.470 2.628 2.436 2.736 . 0 0 "[ . 1 . 2]" 1
302 1 16 ARG H 1 17 ASP QB . . 4.970 4.322 4.175 4.444 . 0 0 "[ . 1 . 2]" 1
303 1 16 ARG H 1 18 LEU H . . 4.620 4.171 3.828 4.496 . 0 0 "[ . 1 . 2]" 1
304 1 16 ARG H 1 19 LEU MD1 . . 4.880 4.560 4.386 4.808 . 0 0 "[ . 1 . 2]" 1
305 1 16 ARG H 1 89 PHE QE . . 4.250 3.688 3.404 4.015 . 0 0 "[ . 1 . 2]" 1
306 1 16 ARG H 1 89 PHE HZ . . 3.840 3.266 3.059 3.751 . 0 0 "[ . 1 . 2]" 1
307 1 16 ARG HA 1 16 ARG QG . . 3.590 2.503 2.424 2.560 . 0 0 "[ . 1 . 2]" 1
308 1 16 ARG HA 1 18 LEU H . . 4.880 4.309 3.916 4.672 . 0 0 "[ . 1 . 2]" 1
309 1 16 ARG HA 1 19 LEU H . . 4.250 3.530 3.379 3.697 . 0 0 "[ . 1 . 2]" 1
310 1 16 ARG HA 1 19 LEU HB2 . . 4.280 3.264 3.121 3.412 . 0 0 "[ . 1 . 2]" 1
311 1 16 ARG HA 1 19 LEU HB3 . . 5.050 4.855 4.754 5.031 . 0 0 "[ . 1 . 2]" 1
312 1 16 ARG HA 1 19 LEU MD1 . . 3.710 2.252 1.978 2.633 . 0 0 "[ . 1 . 2]" 1
313 1 16 ARG HA 1 19 LEU HG . . 4.800 3.841 3.202 4.173 . 0 0 "[ . 1 . 2]" 1
314 1 16 ARG HA 1 20 LEU MD2 . . 4.920 4.858 4.622 4.921 0.001 8 0 "[ . 1 . 2]" 1
315 1 16 ARG HA 1 89 PHE QE . . 4.200 3.193 2.955 3.382 . 0 0 "[ . 1 . 2]" 1
316 1 16 ARG HA 1 89 PHE HZ . . 3.410 2.334 1.995 2.608 . 0 0 "[ . 1 . 2]" 1
317 1 16 ARG QB 1 16 ARG HE . . 3.620 2.314 1.959 2.607 . 0 0 "[ . 1 . 2]" 1
318 1 16 ARG QB 1 17 ASP H . . 3.560 2.510 2.305 2.722 . 0 0 "[ . 1 . 2]" 1
319 1 16 ARG QB 1 18 LEU H . . 5.250 4.760 4.452 5.049 . 0 0 "[ . 1 . 2]" 1
320 1 16 ARG QB 1 19 LEU MD1 . . 4.690 3.851 3.657 4.157 . 0 0 "[ . 1 . 2]" 1
321 1 16 ARG QB 1 89 PHE QE . . 4.200 2.497 2.177 2.733 . 0 0 "[ . 1 . 2]" 1
322 1 16 ARG QB 1 89 PHE HZ . . 3.850 2.369 2.110 2.744 . 0 0 "[ . 1 . 2]" 1
323 1 16 ARG HB2 1 16 ARG HE . . 4.220 3.765 3.537 3.979 . 0 0 "[ . 1 . 2]" 1
324 1 16 ARG HB2 1 17 ASP H . . 4.160 3.877 3.759 3.990 . 0 0 "[ . 1 . 2]" 1
325 1 16 ARG HB2 1 89 PHE QE . . 4.800 2.528 2.193 2.778 . 0 0 "[ . 1 . 2]" 1
326 1 16 ARG HB3 1 16 ARG HE . . 4.220 2.337 1.969 2.643 . 0 0 "[ . 1 . 2]" 1
327 1 16 ARG HB3 1 17 ASP H . . 4.160 2.543 2.326 2.771 . 0 0 "[ . 1 . 2]" 1
328 1 16 ARG HB3 1 89 PHE QE . . 4.800 3.899 3.672 4.106 . 0 0 "[ . 1 . 2]" 1
329 1 16 ARG QD 1 20 LEU MD1 . . 4.000 2.639 2.336 2.882 . 0 0 "[ . 1 . 2]" 1
330 1 16 ARG QD 1 96 TRP H . . 4.160 3.026 2.799 3.265 . 0 0 "[ . 1 . 2]" 1
331 1 16 ARG QD 1 96 TRP HA . . 5.070 3.583 2.863 4.139 . 0 0 "[ . 1 . 2]" 1
332 1 16 ARG HD2 1 20 LEU MD1 . . 4.630 2.678 2.356 2.943 . 0 0 "[ . 1 . 2]" 1
333 1 16 ARG HD2 1 96 TRP H . . 4.800 3.142 2.866 3.426 . 0 0 "[ . 1 . 2]" 1
334 1 16 ARG HD3 1 20 LEU MD1 . . 4.630 4.001 3.848 4.190 . 0 0 "[ . 1 . 2]" 1
335 1 16 ARG HD3 1 96 TRP H . . 4.800 3.983 3.444 4.352 . 0 0 "[ . 1 . 2]" 1
336 1 16 ARG HE 1 16 ARG QG . . 3.480 2.500 2.393 2.654 . 0 0 "[ . 1 . 2]" 1
337 1 16 ARG HE 1 17 ASP H . . 4.430 2.532 2.220 2.947 . 0 0 "[ . 1 . 2]" 1
338 1 16 ARG HE 1 17 ASP HA . . 4.800 2.404 2.125 2.785 . 0 0 "[ . 1 . 2]" 1
339 1 16 ARG HE 1 20 LEU MD1 . . 4.350 2.945 2.542 3.500 . 0 0 "[ . 1 . 2]" 1
340 1 16 ARG QG 1 17 ASP H . . 4.510 3.747 3.529 3.985 . 0 0 "[ . 1 . 2]" 1
341 1 16 ARG QG 1 17 ASP HA . . 4.530 3.881 3.693 4.164 . 0 0 "[ . 1 . 2]" 1
342 1 16 ARG QG 1 20 LEU MD1 . . 3.590 3.027 2.729 3.299 . 0 0 "[ . 1 . 2]" 1
343 1 16 ARG QG 1 20 LEU HG . . 4.430 2.994 2.794 3.374 . 0 0 "[ . 1 . 2]" 1
344 1 16 ARG QG 1 96 TRP QB . . 4.410 2.389 2.093 2.708 . 0 0 "[ . 1 . 2]" 1
345 1 16 ARG HG2 1 89 PHE QE . . 5.500 4.153 3.735 4.583 . 0 0 "[ . 1 . 2]" 1
346 1 16 ARG HG2 1 89 PHE HZ . . 5.500 4.213 3.739 4.561 . 0 0 "[ . 1 . 2]" 1
347 1 16 ARG HG2 1 96 TRP HA . . 5.500 4.667 4.225 4.946 . 0 0 "[ . 1 . 2]" 1
348 1 16 ARG HG3 1 89 PHE QE . . 5.500 3.506 3.050 3.857 . 0 0 "[ . 1 . 2]" 1
349 1 16 ARG HG3 1 89 PHE HZ . . 5.500 3.712 3.196 4.208 . 0 0 "[ . 1 . 2]" 1
350 1 16 ARG HG3 1 96 TRP HA . . 5.500 4.682 4.293 5.087 . 0 0 "[ . 1 . 2]" 1
351 1 17 ASP H 1 17 ASP HB2 . . 4.000 2.297 2.077 2.621 . 0 0 "[ . 1 . 2]" 1
352 1 17 ASP H 1 17 ASP QB . . 3.490 2.177 2.052 2.254 . 0 0 "[ . 1 . 2]" 1
353 1 17 ASP H 1 17 ASP HB3 . . 4.000 2.819 2.444 3.192 . 0 0 "[ . 1 . 2]" 1
354 1 17 ASP H 1 18 LEU H . . 3.330 2.805 2.679 2.902 . 0 0 "[ . 1 . 2]" 1
355 1 17 ASP H 1 19 LEU H . . 4.970 4.370 4.255 4.532 . 0 0 "[ . 1 . 2]" 1
356 1 17 ASP HA 1 19 LEU H . . 4.800 4.295 4.096 4.499 . 0 0 "[ . 1 . 2]" 1
357 1 17 ASP HA 1 20 LEU H . . 3.720 3.324 3.246 3.471 . 0 0 "[ . 1 . 2]" 1
358 1 17 ASP HA 1 20 LEU HB2 . . 3.400 3.156 2.978 3.315 . 0 0 "[ . 1 . 2]" 1
359 1 17 ASP HA 1 20 LEU HB3 . . 4.900 4.772 4.641 4.900 0.000 7 0 "[ . 1 . 2]" 1
360 1 17 ASP HA 1 20 LEU MD1 . . 3.670 3.070 2.727 3.438 . 0 0 "[ . 1 . 2]" 1
361 1 17 ASP HA 1 20 LEU MD2 . . 4.770 4.565 4.337 4.770 0.000 19 0 "[ . 1 . 2]" 1
362 1 17 ASP HA 1 20 LEU HG . . 4.120 3.008 2.732 3.293 . 0 0 "[ . 1 . 2]" 1
363 1 17 ASP HA 1 21 SER H . . 4.560 4.318 4.115 4.506 . 0 0 "[ . 1 . 2]" 1
364 1 17 ASP QB 1 18 LEU H . . 3.310 2.565 2.295 2.904 . 0 0 "[ . 1 . 2]" 1
365 1 17 ASP QB 1 18 LEU QD . . 4.730 3.603 2.834 4.260 . 0 0 "[ . 1 . 2]" 1
366 1 17 ASP HB2 1 18 LEU H . . 3.840 3.683 3.243 3.830 . 0 0 "[ . 1 . 2]" 1
367 1 17 ASP HB3 1 18 LEU H . . 3.840 2.629 2.317 3.100 . 0 0 "[ . 1 . 2]" 1
368 1 18 LEU H 1 18 LEU HB2 . . 2.790 2.234 2.164 2.304 . 0 0 "[ . 1 . 2]" 1
369 1 18 LEU H 1 18 LEU MD1 . . 4.260 2.884 2.222 3.474 . 0 0 "[ . 1 . 2]" 1
370 1 18 LEU H 1 18 LEU QD . . 3.690 2.778 2.210 3.254 . 0 0 "[ . 1 . 2]" 1
371 1 18 LEU H 1 18 LEU MD2 . . 4.260 3.971 3.856 4.079 . 0 0 "[ . 1 . 2]" 1
372 1 18 LEU H 1 18 LEU HG . . 3.870 3.263 2.630 3.874 0.004 9 0 "[ . 1 . 2]" 1
373 1 18 LEU H 1 19 LEU H . . 3.180 2.817 2.632 2.943 . 0 0 "[ . 1 . 2]" 1
374 1 18 LEU H 1 19 LEU HA . . 5.490 5.392 5.247 5.491 0.001 4 0 "[ . 1 . 2]" 1
375 1 18 LEU H 1 19 LEU HB2 . . 5.190 4.849 4.627 5.123 . 0 0 "[ . 1 . 2]" 1
376 1 18 LEU H 1 19 LEU HG . . 5.190 4.964 4.643 5.177 . 0 0 "[ . 1 . 2]" 1
377 1 18 LEU HA 1 18 LEU MD1 . . 4.060 3.249 2.498 3.846 . 0 0 "[ . 1 . 2]" 1
378 1 18 LEU HA 1 18 LEU QD . . 3.160 2.347 2.118 2.593 . 0 0 "[ . 1 . 2]" 1
379 1 18 LEU HA 1 18 LEU MD2 . . 4.060 2.917 2.128 3.756 . 0 0 "[ . 1 . 2]" 1
380 1 18 LEU HA 1 18 LEU HG . . 3.710 2.525 2.328 2.689 . 0 0 "[ . 1 . 2]" 1
381 1 18 LEU HA 1 20 LEU H . . 4.610 4.274 4.055 4.471 . 0 0 "[ . 1 . 2]" 1
382 1 18 LEU HA 1 21 SER H . . 3.850 3.221 3.070 3.337 . 0 0 "[ . 1 . 2]" 1
383 1 18 LEU HA 1 29 LEU MD1 . . 4.800 4.337 4.129 4.613 . 0 0 "[ . 1 . 2]" 1
384 1 18 LEU HB2 1 18 LEU MD1 . . 3.470 2.201 2.029 2.288 . 0 0 "[ . 1 . 2]" 1
385 1 18 LEU HB2 1 18 LEU QD . . 2.890 2.099 2.006 2.202 . 0 0 "[ . 1 . 2]" 1
386 1 18 LEU HB2 1 18 LEU MD2 . . 3.470 2.834 2.388 3.176 . 0 0 "[ . 1 . 2]" 1
387 1 18 LEU HB2 1 19 LEU H . . 3.290 2.746 2.607 2.836 . 0 0 "[ . 1 . 2]" 1
388 1 18 LEU HB2 1 29 LEU MD1 . . 3.530 2.265 1.968 2.543 . 0 0 "[ . 1 . 2]" 1
389 1 18 LEU HB2 1 50 MET ME . . 5.500 5.042 4.721 5.326 . 0 0 "[ . 1 . 2]" 1
390 1 18 LEU HB3 1 28 ILE MD . . 4.380 4.116 3.710 4.373 . 0 0 "[ . 1 . 2]" 1
391 1 18 LEU HB3 1 50 MET ME . . 5.500 4.817 4.615 5.098 . 0 0 "[ . 1 . 2]" 1
392 1 18 LEU QD 1 19 LEU H . . 4.730 4.020 3.918 4.161 . 0 0 "[ . 1 . 2]" 1
393 1 18 LEU QD 1 21 SER H . . 4.980 4.795 4.623 4.899 . 0 0 "[ . 1 . 2]" 1
394 1 18 LEU QD 1 21 SER QB . . 3.920 3.732 3.619 3.837 . 0 0 "[ . 1 . 2]" 1
395 1 18 LEU QD 1 24 GLU H . . 5.210 4.749 4.203 5.221 0.011 12 0 "[ . 1 . 2]" 1
396 1 18 LEU QD 1 24 GLU QB . . 3.460 3.013 2.564 3.386 . 0 0 "[ . 1 . 2]" 1
397 1 18 LEU QD 1 25 ASN H . . 3.960 3.396 2.784 3.968 0.008 9 0 "[ . 1 . 2]" 1
398 1 18 LEU QD 1 25 ASN HA . . 3.460 2.363 2.052 2.701 . 0 0 "[ . 1 . 2]" 1
399 1 18 LEU QD 1 25 ASN HB2 . . 3.860 2.252 1.799 2.858 . 0 0 "[ . 1 . 2]" 1
400 1 18 LEU QD 1 25 ASN HB3 . . 4.520 3.475 3.046 4.016 . 0 0 "[ . 1 . 2]" 1
401 1 18 LEU QD 1 26 CYS H . . 4.630 3.585 3.444 3.717 . 0 0 "[ . 1 . 2]" 1
402 1 18 LEU QD 1 28 ILE H . . 5.440 4.324 3.866 4.715 . 0 0 "[ . 1 . 2]" 1
403 1 18 LEU QD 1 28 ILE HB . . 3.990 2.734 2.084 3.255 . 0 0 "[ . 1 . 2]" 1
404 1 18 LEU QD 1 28 ILE MD . . 3.280 2.003 1.762 2.284 . 0 0 "[ . 1 . 2]" 1
405 1 18 LEU QD 1 28 ILE MG . . 3.970 2.855 2.474 3.206 . 0 0 "[ . 1 . 2]" 1
406 1 18 LEU QD 1 29 LEU HG . . 3.790 3.378 2.832 3.783 . 0 0 "[ . 1 . 2]" 1
407 1 18 LEU QD 1 47 LEU HA . . 4.460 3.605 3.101 3.915 . 0 0 "[ . 1 . 2]" 1
408 1 18 LEU QD 1 47 LEU QD . . 3.490 2.749 2.152 3.094 . 0 0 "[ . 1 . 2]" 1
409 1 18 LEU QD 1 50 MET ME . . 2.970 1.888 1.777 2.098 . 0 0 "[ . 1 . 2]" 1
410 1 18 LEU QD 1 50 MET QG . . 5.280 3.685 3.461 4.231 . 0 0 "[ . 1 . 2]" 1
411 1 18 LEU MD1 1 25 ASN HA . . 4.340 4.114 3.878 4.335 . 0 0 "[ . 1 . 2]" 1
412 1 18 LEU MD1 1 25 ASN HB2 . . 4.490 3.664 3.521 3.770 . 0 0 "[ . 1 . 2]" 1
413 1 18 LEU MD1 1 25 ASN HB3 . . 5.500 5.102 4.956 5.226 . 0 0 "[ . 1 . 2]" 1
414 1 18 LEU MD1 1 28 ILE MD . . 3.920 3.200 2.485 3.823 . 0 0 "[ . 1 . 2]" 1
415 1 18 LEU MD1 1 50 MET HB2 . . 5.500 4.279 3.715 4.931 . 0 0 "[ . 1 . 2]" 1
416 1 18 LEU MD1 1 50 MET ME . . 3.400 2.429 1.999 2.851 . 0 0 "[ . 1 . 2]" 1
417 1 18 LEU MD2 1 25 ASN HA . . 4.340 2.383 2.058 2.756 . 0 0 "[ . 1 . 2]" 1
418 1 18 LEU MD2 1 25 ASN HB2 . . 4.490 2.300 1.803 2.965 . 0 0 "[ . 1 . 2]" 1
419 1 18 LEU MD2 1 25 ASN HB3 . . 5.500 3.561 3.072 4.195 . 0 0 "[ . 1 . 2]" 1
420 1 18 LEU MD2 1 28 ILE MD . . 3.920 2.060 1.766 2.449 . 0 0 "[ . 1 . 2]" 1
421 1 18 LEU MD2 1 50 MET HB2 . . 5.500 4.368 3.827 5.032 . 0 0 "[ . 1 . 2]" 1
422 1 18 LEU MD2 1 50 MET ME . . 3.400 2.026 1.827 2.376 . 0 0 "[ . 1 . 2]" 1
423 1 18 LEU HG 1 25 ASN H . . 5.500 4.509 3.298 5.506 0.006 8 0 "[ . 1 . 2]" 1
424 1 18 LEU HG 1 25 ASN HA . . 5.210 3.896 2.379 5.123 . 0 0 "[ . 1 . 2]" 1
425 1 18 LEU HG 1 25 ASN HB2 . . 4.490 3.114 2.005 3.989 . 0 0 "[ . 1 . 2]" 1
426 1 18 LEU HG 1 25 ASN HB3 . . 5.500 4.725 3.657 5.507 0.007 18 0 "[ . 1 . 2]" 1
427 1 18 LEU HG 1 50 MET ME . . 4.630 3.331 2.937 3.734 . 0 0 "[ . 1 . 2]" 1
428 1 19 LEU H 1 19 LEU HB2 . . 3.100 2.353 2.282 2.497 . 0 0 "[ . 1 . 2]" 1
429 1 19 LEU H 1 19 LEU HB3 . . 3.730 3.562 3.543 3.585 . 0 0 "[ . 1 . 2]" 1
430 1 19 LEU H 1 19 LEU MD1 . . 3.770 3.297 3.095 3.573 . 0 0 "[ . 1 . 2]" 1
431 1 19 LEU H 1 19 LEU MD2 . . 4.380 3.835 3.318 4.042 . 0 0 "[ . 1 . 2]" 1
432 1 19 LEU H 1 19 LEU HG . . 3.360 2.550 2.213 2.727 . 0 0 "[ . 1 . 2]" 1
433 1 19 LEU H 1 20 LEU H . . 3.230 2.668 2.532 2.716 . 0 0 "[ . 1 . 2]" 1
434 1 19 LEU H 1 20 LEU HA . . 5.330 5.295 5.192 5.334 0.004 14 0 "[ . 1 . 2]" 1
435 1 19 LEU H 1 20 LEU HB2 . . 5.390 5.250 5.133 5.386 . 0 0 "[ . 1 . 2]" 1
436 1 19 LEU H 1 20 LEU MD2 . . 4.660 4.512 4.354 4.612 . 0 0 "[ . 1 . 2]" 1
437 1 19 LEU H 1 20 LEU HG . . 4.470 4.073 3.845 4.183 . 0 0 "[ . 1 . 2]" 1
438 1 19 LEU H 1 21 SER H . . 4.470 3.776 3.715 3.870 . 0 0 "[ . 1 . 2]" 1
439 1 19 LEU H 1 29 LEU MD1 . . 3.550 3.120 2.928 3.406 . 0 0 "[ . 1 . 2]" 1
440 1 19 LEU HA 1 19 LEU MD1 . . 3.950 3.864 3.827 3.906 . 0 0 "[ . 1 . 2]" 1
441 1 19 LEU HA 1 19 LEU MD2 . . 3.190 2.395 2.039 2.680 . 0 0 "[ . 1 . 2]" 1
442 1 19 LEU HA 1 19 LEU HG . . 3.560 2.733 2.564 3.086 . 0 0 "[ . 1 . 2]" 1
443 1 19 LEU HA 1 21 SER H . . 4.350 3.991 3.887 4.079 . 0 0 "[ . 1 . 2]" 1
444 1 19 LEU HA 1 25 ASN HD21 . . 4.140 2.988 2.687 3.267 . 0 0 "[ . 1 . 2]" 1
445 1 19 LEU HA 1 25 ASN HD22 . . 4.550 4.060 3.837 4.259 . 0 0 "[ . 1 . 2]" 1
446 1 19 LEU HA 1 29 LEU HB2 . . 4.800 3.888 3.745 4.110 . 0 0 "[ . 1 . 2]" 1
447 1 19 LEU HA 1 29 LEU MD1 . . 4.120 3.682 3.523 3.834 . 0 0 "[ . 1 . 2]" 1
448 1 19 LEU HA 1 31 TRP HD1 . . 4.800 4.610 4.349 4.773 . 0 0 "[ . 1 . 2]" 1
449 1 19 LEU HA 1 31 TRP HE1 . . 4.470 3.704 3.341 3.950 . 0 0 "[ . 1 . 2]" 1
450 1 19 LEU HB2 1 19 LEU MD1 . . 3.490 2.172 2.024 2.292 . 0 0 "[ . 1 . 2]" 1
451 1 19 LEU HB2 1 20 LEU H . . 3.600 2.750 2.648 2.879 . 0 0 "[ . 1 . 2]" 1
452 1 19 LEU HB2 1 20 LEU MD2 . . 4.280 3.036 2.868 3.208 . 0 0 "[ . 1 . 2]" 1
453 1 19 LEU HB2 1 29 LEU MD1 . . 4.630 4.197 3.950 4.464 . 0 0 "[ . 1 . 2]" 1
454 1 19 LEU HB2 1 31 TRP HE1 . . 4.280 3.619 3.445 3.843 . 0 0 "[ . 1 . 2]" 1
455 1 19 LEU HB2 1 31 TRP HZ2 . . 4.380 2.925 2.774 3.149 . 0 0 "[ . 1 . 2]" 1
456 1 19 LEU HB3 1 19 LEU MD1 . . 3.490 2.558 2.422 2.694 . 0 0 "[ . 1 . 2]" 1
457 1 19 LEU HB3 1 19 LEU MD2 . . 3.360 2.147 1.977 2.315 . 0 0 "[ . 1 . 2]" 1
458 1 19 LEU HB3 1 20 LEU H . . 3.860 3.585 3.382 3.762 . 0 0 "[ . 1 . 2]" 1
459 1 19 LEU HB3 1 29 LEU MD1 . . 4.770 4.709 4.523 4.777 0.007 9 0 "[ . 1 . 2]" 1
460 1 19 LEU HB3 1 31 TRP HE1 . . 3.600 2.099 1.956 2.246 . 0 0 "[ . 1 . 2]" 1
461 1 19 LEU HB3 1 31 TRP HZ2 . . 4.060 2.549 2.271 2.859 . 0 0 "[ . 1 . 2]" 1
462 1 19 LEU MD1 1 20 LEU H . . 4.810 4.462 4.264 4.576 . 0 0 "[ . 1 . 2]" 1
463 1 19 LEU MD1 1 20 LEU MD2 . . 4.400 3.780 3.613 3.962 . 0 0 "[ . 1 . 2]" 1
464 1 19 LEU MD1 1 20 LEU HG . . 4.800 4.526 4.359 4.642 . 0 0 "[ . 1 . 2]" 1
465 1 19 LEU MD1 1 29 LEU HB2 . . 4.380 4.046 3.566 4.383 0.003 6 0 "[ . 1 . 2]" 1
466 1 19 LEU MD1 1 29 LEU HB3 . . 4.630 3.670 3.336 4.022 . 0 0 "[ . 1 . 2]" 1
467 1 19 LEU MD1 1 29 LEU MD1 . . 3.640 3.003 2.368 3.531 . 0 0 "[ . 1 . 2]" 1
468 1 19 LEU MD1 1 31 TRP HE1 . . 4.340 4.049 3.838 4.249 . 0 0 "[ . 1 . 2]" 1
469 1 19 LEU MD1 1 31 TRP HH2 . . 4.630 2.909 2.635 3.174 . 0 0 "[ . 1 . 2]" 1
470 1 19 LEU MD1 1 31 TRP HZ2 . . 4.280 2.783 2.462 3.030 . 0 0 "[ . 1 . 2]" 1
471 1 19 LEU MD1 1 31 TRP HZ3 . . 4.800 3.697 3.382 4.044 . 0 0 "[ . 1 . 2]" 1
472 1 19 LEU MD1 1 39 PHE HB2 . . 3.950 2.462 2.247 2.636 . 0 0 "[ . 1 . 2]" 1
473 1 19 LEU MD1 1 39 PHE HB3 . . 3.950 2.260 1.974 2.503 . 0 0 "[ . 1 . 2]" 1
474 1 19 LEU MD1 1 39 PHE QD . . 4.020 2.933 2.730 3.127 . 0 0 "[ . 1 . 2]" 1
475 1 19 LEU MD1 1 40 ARG H . . 4.890 4.849 4.720 4.892 0.002 9 0 "[ . 1 . 2]" 1
476 1 19 LEU MD1 1 89 PHE QD . . 4.490 3.897 3.404 4.179 . 0 0 "[ . 1 . 2]" 1
477 1 19 LEU MD1 1 89 PHE QE . . 3.770 2.203 1.840 2.509 . 0 0 "[ . 1 . 2]" 1
478 1 19 LEU MD1 1 89 PHE HZ . . 3.950 2.924 2.618 3.281 . 0 0 "[ . 1 . 2]" 1
479 1 19 LEU MD2 1 25 ASN HD21 . . 4.510 3.877 3.598 4.136 . 0 0 "[ . 1 . 2]" 1
480 1 19 LEU MD2 1 25 ASN HD22 . . 4.310 3.882 3.475 4.129 . 0 0 "[ . 1 . 2]" 1
481 1 19 LEU MD2 1 29 LEU H . . 4.900 4.540 4.275 4.899 . 0 0 "[ . 1 . 2]" 1
482 1 19 LEU MD2 1 29 LEU HA . . 4.800 4.292 4.059 4.449 . 0 0 "[ . 1 . 2]" 1
483 1 19 LEU MD2 1 29 LEU HB2 . . 3.640 2.390 2.033 2.731 . 0 0 "[ . 1 . 2]" 1
484 1 19 LEU MD2 1 29 LEU HB3 . . 3.490 2.566 2.153 2.807 . 0 0 "[ . 1 . 2]" 1
485 1 19 LEU MD2 1 29 LEU MD1 . . 3.850 3.002 2.490 3.323 . 0 0 "[ . 1 . 2]" 1
486 1 19 LEU MD2 1 29 LEU MD2 . . 4.200 3.781 3.265 4.035 . 0 0 "[ . 1 . 2]" 1
487 1 19 LEU MD2 1 29 LEU HG . . 4.770 4.597 4.076 4.771 0.001 19 0 "[ . 1 . 2]" 1
488 1 19 LEU MD2 1 30 GLU H . . 3.940 3.095 2.822 3.196 . 0 0 "[ . 1 . 2]" 1
489 1 19 LEU MD2 1 30 GLU HA . . 4.280 3.439 3.160 3.673 . 0 0 "[ . 1 . 2]" 1
490 1 19 LEU MD2 1 31 TRP H . . 4.260 3.688 3.373 4.004 . 0 0 "[ . 1 . 2]" 1
491 1 19 LEU MD2 1 31 TRP HD1 . . 4.200 3.277 2.928 3.850 . 0 0 "[ . 1 . 2]" 1
492 1 19 LEU MD2 1 31 TRP HE1 . . 3.760 3.075 2.752 3.699 . 0 0 "[ . 1 . 2]" 1
493 1 19 LEU MD2 1 39 PHE HB2 . . 3.900 2.331 2.104 2.662 . 0 0 "[ . 1 . 2]" 1
494 1 19 LEU MD2 1 39 PHE HB3 . . 4.200 2.850 2.453 3.083 . 0 0 "[ . 1 . 2]" 1
495 1 19 LEU MD2 1 39 PHE QD . . 4.380 3.520 3.011 3.947 . 0 0 "[ . 1 . 2]" 1
496 1 19 LEU MD2 1 40 ARG H . . 4.800 3.986 3.758 4.166 . 0 0 "[ . 1 . 2]" 1
497 1 19 LEU MD2 1 89 PHE QE . . 4.630 4.393 4.117 4.628 . 0 0 "[ . 1 . 2]" 1
498 1 19 LEU HG 1 20 LEU H . . 4.930 4.600 4.351 4.689 . 0 0 "[ . 1 . 2]" 1
499 1 19 LEU HG 1 29 LEU HB2 . . 4.490 2.981 2.398 3.662 . 0 0 "[ . 1 . 2]" 1
500 1 19 LEU HG 1 29 LEU MD1 . . 3.260 2.157 1.949 2.376 . 0 0 "[ . 1 . 2]" 1
501 1 19 LEU HG 1 31 TRP HE1 . . 5.250 4.972 4.791 5.181 . 0 0 "[ . 1 . 2]" 1
502 1 19 LEU HG 1 31 TRP HZ2 . . 5.100 4.929 4.689 5.086 . 0 0 "[ . 1 . 2]" 1
503 1 20 LEU H 1 20 LEU HB2 . . 2.970 2.743 2.662 2.814 . 0 0 "[ . 1 . 2]" 1
504 1 20 LEU H 1 20 LEU HB3 . . 3.850 3.641 3.597 3.679 . 0 0 "[ . 1 . 2]" 1
505 1 20 LEU H 1 20 LEU MD1 . . 4.200 3.717 3.622 3.813 . 0 0 "[ . 1 . 2]" 1
506 1 20 LEU H 1 20 LEU MD2 . . 3.440 2.875 2.764 2.999 . 0 0 "[ . 1 . 2]" 1
507 1 20 LEU H 1 20 LEU HG . . 3.100 2.136 1.990 2.302 . 0 0 "[ . 1 . 2]" 1
508 1 20 LEU H 1 21 SER H . . 3.230 2.319 2.200 2.421 . 0 0 "[ . 1 . 2]" 1
509 1 20 LEU H 1 21 SER QB . . 5.130 4.125 3.954 4.336 . 0 0 "[ . 1 . 2]" 1
510 1 20 LEU HA 1 20 LEU MD1 . . 4.200 3.895 3.832 3.943 . 0 0 "[ . 1 . 2]" 1
511 1 20 LEU HA 1 20 LEU MD2 . . 3.030 2.135 1.989 2.237 . 0 0 "[ . 1 . 2]" 1
512 1 20 LEU HA 1 21 SER H . . 3.560 3.348 3.283 3.418 . 0 0 "[ . 1 . 2]" 1
513 1 20 LEU HA 1 31 TRP HE1 . . 4.610 3.732 3.463 3.960 . 0 0 "[ . 1 . 2]" 1
514 1 20 LEU HB2 1 20 LEU MD1 . . 3.530 2.386 2.254 2.479 . 0 0 "[ . 1 . 2]" 1
515 1 20 LEU HB2 1 21 SER H . . 3.700 3.340 3.144 3.514 . 0 0 "[ . 1 . 2]" 1
516 1 20 LEU HB3 1 20 LEU MD1 . . 3.190 2.282 2.177 2.418 . 0 0 "[ . 1 . 2]" 1
517 1 20 LEU HB3 1 20 LEU MD2 . . 3.220 2.465 2.429 2.522 . 0 0 "[ . 1 . 2]" 1
518 1 20 LEU HB3 1 21 SER H . . 4.490 4.325 4.209 4.419 . 0 0 "[ . 1 . 2]" 1
519 1 20 LEU MD1 1 31 TRP HZ2 . . 4.550 4.268 4.092 4.469 . 0 0 "[ . 1 . 2]" 1
520 1 20 LEU MD1 1 96 TRP H . . 4.880 4.222 3.334 4.713 . 0 0 "[ . 1 . 2]" 1
521 1 20 LEU MD1 1 96 TRP HA . . 4.000 2.795 2.147 3.355 . 0 0 "[ . 1 . 2]" 1
522 1 20 LEU MD1 1 96 TRP QB . . 4.690 3.404 2.931 3.827 . 0 0 "[ . 1 . 2]" 1
523 1 20 LEU MD2 1 21 SER H . . 4.390 4.376 4.347 4.389 . 0 0 "[ . 1 . 2]" 1
524 1 20 LEU MD2 1 31 TRP HE1 . . 3.780 2.739 2.457 2.987 . 0 0 "[ . 1 . 2]" 1
525 1 20 LEU MD2 1 31 TRP HH2 . . 4.800 3.779 3.495 4.191 . 0 0 "[ . 1 . 2]" 1
526 1 20 LEU MD2 1 31 TRP HZ2 . . 3.470 2.081 1.935 2.329 . 0 0 "[ . 1 . 2]" 1
527 1 20 LEU MD2 1 96 TRP HA . . 4.060 3.163 2.559 3.556 . 0 0 "[ . 1 . 2]" 1
528 1 20 LEU MD2 1 96 TRP QB . . 4.470 3.205 2.752 3.522 . 0 0 "[ . 1 . 2]" 1
529 1 20 LEU HG 1 21 SER H . . 4.510 4.182 4.015 4.378 . 0 0 "[ . 1 . 2]" 1
530 1 20 LEU HG 1 31 TRP HZ2 . . 5.200 3.939 3.630 4.201 . 0 0 "[ . 1 . 2]" 1
531 1 21 SER H 1 21 SER HB2 . . 3.650 2.458 2.391 2.511 . 0 0 "[ . 1 . 2]" 1
532 1 21 SER H 1 21 SER QB . . 2.940 2.421 2.357 2.468 . 0 0 "[ . 1 . 2]" 1
533 1 21 SER H 1 21 SER HB3 . . 3.650 3.633 3.570 3.660 0.010 17 0 "[ . 1 . 2]" 1
534 1 21 SER H 1 22 PRO HA . . 4.850 4.694 4.602 4.776 . 0 0 "[ . 1 . 2]" 1
535 1 21 SER H 1 22 PRO HD2 . . 4.800 4.224 4.171 4.285 . 0 0 "[ . 1 . 2]" 1
536 1 21 SER H 1 22 PRO HD3 . . 3.920 3.562 3.475 3.650 . 0 0 "[ . 1 . 2]" 1
537 1 21 SER H 1 25 ASN H . . 5.100 5.016 4.878 5.103 0.003 18 0 "[ . 1 . 2]" 1
538 1 21 SER H 1 25 ASN HB2 . . 5.100 4.719 4.375 5.066 . 0 0 "[ . 1 . 2]" 1
539 1 21 SER H 1 25 ASN HB3 . . 5.190 4.678 4.557 4.872 . 0 0 "[ . 1 . 2]" 1
540 1 21 SER HA 1 22 PRO HD2 . . 3.200 1.990 1.962 2.000 . 0 0 "[ . 1 . 2]" 1
541 1 21 SER HA 1 22 PRO HD3 . . 3.270 2.769 2.711 2.789 . 0 0 "[ . 1 . 2]" 1
542 1 21 SER HA 1 22 PRO HG2 . . 4.800 4.154 4.137 4.161 . 0 0 "[ . 1 . 2]" 1
543 1 21 SER HA 1 22 PRO QG . . 4.200 3.850 3.827 3.858 . 0 0 "[ . 1 . 2]" 1
544 1 21 SER HA 1 22 PRO HG3 . . 4.800 4.551 4.510 4.565 . 0 0 "[ . 1 . 2]" 1
545 1 21 SER HA 1 23 GLU H . . 4.250 3.151 3.131 3.184 . 0 0 "[ . 1 . 2]" 1
546 1 21 SER QB 1 24 GLU H . . 3.770 2.785 2.698 2.891 . 0 0 "[ . 1 . 2]" 1
547 1 21 SER QB 1 24 GLU QB . . 3.180 2.458 2.308 2.614 . 0 0 "[ . 1 . 2]" 1
548 1 21 SER QB 1 24 GLU QG . . 3.890 3.675 3.503 3.787 . 0 0 "[ . 1 . 2]" 1
549 1 21 SER QB 1 25 ASN H . . 3.980 3.482 3.287 3.665 . 0 0 "[ . 1 . 2]" 1
550 1 21 SER HB2 1 24 GLU H . . 4.510 4.193 4.118 4.276 . 0 0 "[ . 1 . 2]" 1
551 1 21 SER HB2 1 24 GLU HB2 . . 4.770 3.581 3.419 3.640 . 0 0 "[ . 1 . 2]" 1
552 1 21 SER HB2 1 24 GLU HB3 . . 4.770 4.747 4.595 4.774 0.004 17 0 "[ . 1 . 2]" 1
553 1 21 SER HB2 1 25 ASN H . . 4.730 4.240 4.106 4.398 . 0 0 "[ . 1 . 2]" 1
554 1 21 SER HB3 1 24 GLU H . . 4.510 2.827 2.731 2.944 . 0 0 "[ . 1 . 2]" 1
555 1 21 SER HB3 1 24 GLU HB2 . . 4.770 2.536 2.370 2.727 . 0 0 "[ . 1 . 2]" 1
556 1 21 SER HB3 1 24 GLU HB3 . . 4.770 4.138 3.992 4.346 . 0 0 "[ . 1 . 2]" 1
557 1 21 SER HB3 1 25 ASN H . . 4.730 3.704 3.451 3.940 . 0 0 "[ . 1 . 2]" 1
558 1 22 PRO HA 1 24 GLU H . . 4.610 4.011 3.937 4.074 . 0 0 "[ . 1 . 2]" 1
559 1 22 PRO HA 1 25 ASN H . . 3.810 3.537 3.400 3.705 . 0 0 "[ . 1 . 2]" 1
560 1 22 PRO HA 1 25 ASN HB2 . . 4.810 4.365 4.035 4.591 . 0 0 "[ . 1 . 2]" 1
561 1 22 PRO HA 1 25 ASN HB3 . . 4.000 2.758 2.604 2.872 . 0 0 "[ . 1 . 2]" 1
562 1 22 PRO HA 1 25 ASN HD21 . . 4.610 3.953 3.903 4.006 . 0 0 "[ . 1 . 2]" 1
563 1 22 PRO HB2 1 23 GLU H . . 4.280 3.813 3.706 3.899 . 0 0 "[ . 1 . 2]" 1
564 1 22 PRO HB3 1 23 GLU H . . 4.620 4.419 4.358 4.467 . 0 0 "[ . 1 . 2]" 1
565 1 22 PRO HB3 1 25 ASN HD21 . . 5.280 5.236 5.182 5.280 0.000 19 0 "[ . 1 . 2]" 1
566 1 22 PRO HD2 1 23 GLU H . . 3.730 2.858 2.769 2.944 . 0 0 "[ . 1 . 2]" 1
567 1 22 PRO HD2 1 23 GLU QB . . 4.780 3.988 3.866 4.271 . 0 0 "[ . 1 . 2]" 1
568 1 22 PRO HD3 1 23 GLU H . . 4.350 3.954 3.908 3.999 . 0 0 "[ . 1 . 2]" 1
569 1 22 PRO QG 1 23 GLU H . . 3.520 3.016 2.849 3.156 . 0 0 "[ . 1 . 2]" 1
570 1 23 GLU H 1 23 GLU QB . . 2.840 2.148 2.077 2.319 . 0 0 "[ . 1 . 2]" 1
571 1 23 GLU H 1 23 GLU HG2 . . 4.880 4.323 3.712 4.607 . 0 0 "[ . 1 . 2]" 1
572 1 23 GLU H 1 23 GLU QG . . 4.250 3.402 2.675 4.002 . 0 0 "[ . 1 . 2]" 1
573 1 23 GLU H 1 23 GLU HG3 . . 4.880 3.586 2.743 4.460 . 0 0 "[ . 1 . 2]" 1
574 1 23 GLU H 1 24 GLU H . . 3.270 2.348 2.245 2.463 . 0 0 "[ . 1 . 2]" 1
575 1 23 GLU H 1 25 ASN H . . 4.390 3.878 3.750 4.002 . 0 0 "[ . 1 . 2]" 1
576 1 23 GLU HA 1 23 GLU HG2 . . 3.840 2.555 2.086 3.476 . 0 0 "[ . 1 . 2]" 1
577 1 23 GLU HA 1 23 GLU QG . . 3.210 2.218 2.068 2.366 . 0 0 "[ . 1 . 2]" 1
578 1 23 GLU HA 1 23 GLU HG3 . . 3.840 2.585 2.244 3.424 . 0 0 "[ . 1 . 2]" 1
579 1 23 GLU HA 1 25 ASN H . . 5.100 4.939 4.789 5.073 . 0 0 "[ . 1 . 2]" 1
580 1 23 GLU QB 1 24 GLU H . . 3.770 2.944 2.891 3.006 . 0 0 "[ . 1 . 2]" 1
581 1 23 GLU QB 1 24 GLU HA . . 4.690 4.014 3.970 4.195 . 0 0 "[ . 1 . 2]" 1
582 1 23 GLU HB2 1 24 GLU H . . 4.440 3.305 3.012 3.929 . 0 0 "[ . 1 . 2]" 1
583 1 23 GLU HB3 1 24 GLU H . . 4.440 3.385 3.034 3.794 . 0 0 "[ . 1 . 2]" 1
584 1 23 GLU HG2 1 24 GLU H . . 5.500 5.096 4.478 5.433 . 0 0 "[ . 1 . 2]" 1
585 1 23 GLU HG3 1 24 GLU H . . 5.500 5.043 4.652 5.410 . 0 0 "[ . 1 . 2]" 1
586 1 24 GLU H 1 24 GLU QB . . 3.130 2.234 2.214 2.271 . 0 0 "[ . 1 . 2]" 1
587 1 24 GLU H 1 24 GLU HG2 . . 4.200 3.782 3.723 3.809 . 0 0 "[ . 1 . 2]" 1
588 1 24 GLU H 1 24 GLU QG . . 3.430 3.426 3.370 3.434 0.004 17 0 "[ . 1 . 2]" 1
589 1 24 GLU H 1 24 GLU HG3 . . 4.200 3.919 3.850 3.948 . 0 0 "[ . 1 . 2]" 1
590 1 24 GLU H 1 25 ASN H . . 2.910 2.183 2.138 2.218 . 0 0 "[ . 1 . 2]" 1
591 1 24 GLU H 1 25 ASN HA . . 4.880 4.869 4.837 4.885 0.005 18 0 "[ . 1 . 2]" 1
592 1 24 GLU H 1 25 ASN HB2 . . 5.210 4.769 4.564 4.945 . 0 0 "[ . 1 . 2]" 1
593 1 24 GLU H 1 25 ASN HB3 . . 4.470 4.245 4.112 4.394 . 0 0 "[ . 1 . 2]" 1
594 1 24 GLU HA 1 24 GLU HG2 . . 3.740 2.112 2.091 2.135 . 0 0 "[ . 1 . 2]" 1
595 1 24 GLU HA 1 24 GLU QG . . 3.170 2.093 2.073 2.116 . 0 0 "[ . 1 . 2]" 1
596 1 24 GLU HA 1 24 GLU HG3 . . 3.740 3.432 3.404 3.449 . 0 0 "[ . 1 . 2]" 1
597 1 24 GLU HB2 1 25 ASN H . . 3.730 2.886 2.806 2.982 . 0 0 "[ . 1 . 2]" 1
598 1 24 GLU HB3 1 25 ASN H . . 3.730 3.142 3.046 3.248 . 0 0 "[ . 1 . 2]" 1
599 1 24 GLU QG 1 25 ASN H . . 4.700 4.387 4.346 4.435 . 0 0 "[ . 1 . 2]" 1
600 1 25 ASN H 1 25 ASN HB2 . . 3.160 2.705 2.515 2.902 . 0 0 "[ . 1 . 2]" 1
601 1 25 ASN H 1 25 ASN HB3 . . 3.130 2.404 2.263 2.549 . 0 0 "[ . 1 . 2]" 1
602 1 25 ASN H 1 25 ASN HD21 . . 4.970 4.659 4.598 4.726 . 0 0 "[ . 1 . 2]" 1
603 1 25 ASN HA 1 26 CYS H . . 3.110 2.153 2.140 2.172 . 0 0 "[ . 1 . 2]" 1
604 1 25 ASN HA 1 28 ILE H . . 4.790 4.496 4.318 4.714 . 0 0 "[ . 1 . 2]" 1
605 1 25 ASN HA 1 28 ILE MD . . 4.000 2.413 2.077 2.726 . 0 0 "[ . 1 . 2]" 1
606 1 25 ASN HA 1 50 MET ME . . 4.380 3.361 3.092 3.663 . 0 0 "[ . 1 . 2]" 1
607 1 25 ASN HB2 1 26 CYS H . . 4.420 4.160 3.973 4.344 . 0 0 "[ . 1 . 2]" 1
608 1 25 ASN HB3 1 25 ASN HD22 . . 4.060 3.510 3.480 3.541 . 0 0 "[ . 1 . 2]" 1
609 1 25 ASN HB3 1 26 CYS H . . 4.280 4.274 4.249 4.288 0.008 18 0 "[ . 1 . 2]" 1
610 1 25 ASN HB3 1 27 GLY H . . 5.410 4.850 4.712 5.003 . 0 0 "[ . 1 . 2]" 1
611 1 25 ASN HB3 1 29 LEU MD1 . . 5.500 4.769 4.527 4.990 . 0 0 "[ . 1 . 2]" 1
612 1 25 ASN HD21 1 27 GLY H . . 5.100 4.947 4.745 5.054 . 0 0 "[ . 1 . 2]" 1
613 1 25 ASN HD21 1 29 LEU H . . 4.090 3.751 3.636 3.924 . 0 0 "[ . 1 . 2]" 1
614 1 25 ASN HD21 1 29 LEU HB2 . . 4.560 3.587 3.428 3.708 . 0 0 "[ . 1 . 2]" 1
615 1 25 ASN HD21 1 29 LEU HB3 . . 5.500 5.333 5.177 5.469 . 0 0 "[ . 1 . 2]" 1
616 1 25 ASN HD21 1 29 LEU MD1 . . 4.970 3.603 3.216 3.982 . 0 0 "[ . 1 . 2]" 1
617 1 25 ASN HD22 1 27 GLY H . . 4.670 4.266 4.047 4.530 . 0 0 "[ . 1 . 2]" 1
618 1 25 ASN HD22 1 29 LEU H . . 3.450 2.064 1.923 2.212 . 0 0 "[ . 1 . 2]" 1
619 1 25 ASN HD22 1 29 LEU HB2 . . 4.310 2.762 2.441 3.121 . 0 0 "[ . 1 . 2]" 1
620 1 25 ASN HD22 1 29 LEU HB3 . . 4.730 4.407 4.095 4.726 . 0 0 "[ . 1 . 2]" 1
621 1 25 ASN HD22 1 29 LEU MD1 . . 4.800 3.387 3.077 3.861 . 0 0 "[ . 1 . 2]" 1
622 1 26 CYS H 1 26 CYS HB2 . . 3.490 2.569 2.417 2.829 . 0 0 "[ . 1 . 2]" 1
623 1 26 CYS H 1 26 CYS QB . . 2.970 2.428 2.354 2.493 . 0 0 "[ . 1 . 2]" 1
624 1 26 CYS H 1 26 CYS HB3 . . 3.490 3.069 2.743 3.284 . 0 0 "[ . 1 . 2]" 1
625 1 26 CYS H 1 27 GLY H . . 3.900 3.820 3.785 3.876 . 0 0 "[ . 1 . 2]" 1
626 1 26 CYS H 1 28 ILE H . . 4.350 3.443 3.183 3.712 . 0 0 "[ . 1 . 2]" 1
627 1 26 CYS H 1 28 ILE HB . . 4.470 3.913 3.789 4.045 . 0 0 "[ . 1 . 2]" 1
628 1 26 CYS H 1 28 ILE MD . . 3.730 2.110 1.881 2.399 . 0 0 "[ . 1 . 2]" 1
629 1 26 CYS H 1 28 ILE HG13 . . 4.470 2.079 1.900 2.233 . 0 0 "[ . 1 . 2]" 1
630 1 26 CYS HA 1 27 GLY H . . 3.130 2.283 2.261 2.296 . 0 0 "[ . 1 . 2]" 1
631 1 26 CYS HA 1 28 ILE H . . 4.610 4.230 4.034 4.447 . 0 0 "[ . 1 . 2]" 1
632 1 26 CYS QB 1 27 GLY H . . 4.190 3.954 3.899 4.013 . 0 0 "[ . 1 . 2]" 1
633 1 26 CYS QB 1 28 ILE H . . 5.340 4.520 4.207 4.787 . 0 0 "[ . 1 . 2]" 1
634 1 26 CYS QB 1 28 ILE HG12 . . 5.320 3.841 3.525 4.124 . 0 0 "[ . 1 . 2]" 1
635 1 26 CYS HB2 1 27 GLY H . . 4.790 4.667 4.621 4.678 . 0 0 "[ . 1 . 2]" 1
636 1 26 CYS HB2 1 28 ILE MD . . 4.380 3.573 3.067 4.007 . 0 0 "[ . 1 . 2]" 1
637 1 26 CYS HB3 1 27 GLY H . . 4.790 4.273 4.177 4.405 . 0 0 "[ . 1 . 2]" 1
638 1 26 CYS HB3 1 28 ILE MD . . 4.380 3.758 3.233 4.201 . 0 0 "[ . 1 . 2]" 1
639 1 27 GLY H 1 28 ILE H . . 3.380 2.883 2.802 2.952 . 0 0 "[ . 1 . 2]" 1
640 1 27 GLY H 1 28 ILE HA . . 5.500 5.373 5.325 5.410 . 0 0 "[ . 1 . 2]" 1
641 1 27 GLY H 1 28 ILE HB . . 5.500 5.340 5.201 5.458 . 0 0 "[ . 1 . 2]" 1
642 1 27 GLY H 1 28 ILE MD . . 5.500 5.027 4.824 5.241 . 0 0 "[ . 1 . 2]" 1
643 1 27 GLY H 1 28 ILE HG12 . . 5.500 5.392 5.223 5.486 . 0 0 "[ . 1 . 2]" 1
644 1 27 GLY H 1 28 ILE HG13 . . 4.880 3.913 3.753 4.047 . 0 0 "[ . 1 . 2]" 1
645 1 27 GLY H 1 29 LEU H . . 4.610 4.502 4.359 4.582 . 0 0 "[ . 1 . 2]" 1
646 1 27 GLY QA 1 43 LYS HE2 . . 4.570 3.721 3.421 4.023 . 0 0 "[ . 1 . 2]" 1
647 1 27 GLY QA 1 43 LYS HE3 . . 4.740 3.384 3.065 3.669 . 0 0 "[ . 1 . 2]" 1
648 1 27 GLY HA2 1 43 LYS HE3 . . 5.500 4.978 4.640 5.260 . 0 0 "[ . 1 . 2]" 1
649 1 27 GLY HA3 1 43 LYS HE3 . . 5.500 3.443 3.106 3.746 . 0 0 "[ . 1 . 2]" 1
650 1 28 ILE H 1 28 ILE HB . . 3.010 2.652 2.573 2.751 . 0 0 "[ . 1 . 2]" 1
651 1 28 ILE H 1 28 ILE MD . . 3.810 3.629 3.501 3.763 . 0 0 "[ . 1 . 2]" 1
652 1 28 ILE H 1 28 ILE HG12 . . 4.040 3.468 3.173 3.644 . 0 0 "[ . 1 . 2]" 1
653 1 28 ILE H 1 28 ILE HG13 . . 3.150 2.189 1.902 2.382 . 0 0 "[ . 1 . 2]" 1
654 1 28 ILE H 1 28 ILE MG . . 4.060 3.819 3.788 3.844 . 0 0 "[ . 1 . 2]" 1
655 1 28 ILE H 1 29 LEU H . . 3.080 2.213 2.082 2.346 . 0 0 "[ . 1 . 2]" 1
656 1 28 ILE H 1 29 LEU HB2 . . 5.100 4.828 4.620 4.976 . 0 0 "[ . 1 . 2]" 1
657 1 28 ILE H 1 29 LEU MD1 . . 5.500 4.763 4.507 4.999 . 0 0 "[ . 1 . 2]" 1
658 1 28 ILE H 1 29 LEU HG . . 4.480 4.377 4.134 4.480 0.000 16 0 "[ . 1 . 2]" 1
659 1 28 ILE H 1 43 LYS H . . 5.400 5.233 5.043 5.401 0.001 13 0 "[ . 1 . 2]" 1
660 1 28 ILE H 1 43 LYS HE3 . . 5.500 5.108 4.599 5.331 . 0 0 "[ . 1 . 2]" 1
661 1 28 ILE HA 1 28 ILE MD . . 4.090 3.894 3.838 3.957 . 0 0 "[ . 1 . 2]" 1
662 1 28 ILE HA 1 28 ILE HG12 . . 3.720 2.675 2.570 2.813 . 0 0 "[ . 1 . 2]" 1
663 1 28 ILE HA 1 28 ILE MG . . 3.260 2.336 2.283 2.386 . 0 0 "[ . 1 . 2]" 1
664 1 28 ILE HA 1 42 VAL H . . 5.030 4.565 4.403 4.741 . 0 0 "[ . 1 . 2]" 1
665 1 28 ILE HA 1 42 VAL HB . . 3.740 3.072 2.854 3.406 . 0 0 "[ . 1 . 2]" 1
666 1 28 ILE HA 1 42 VAL MG1 . . 4.630 3.949 3.649 4.296 . 0 0 "[ . 1 . 2]" 1
667 1 28 ILE HA 1 43 LYS H . . 3.380 2.670 2.465 2.891 . 0 0 "[ . 1 . 2]" 1
668 1 28 ILE HA 1 43 LYS HB2 . . 3.330 2.078 2.001 2.233 . 0 0 "[ . 1 . 2]" 1
669 1 28 ILE HA 1 43 LYS HB3 . . 4.000 3.777 3.694 3.921 . 0 0 "[ . 1 . 2]" 1
670 1 28 ILE HA 1 43 LYS HD2 . . 4.280 2.376 2.155 2.593 . 0 0 "[ . 1 . 2]" 1
671 1 28 ILE HA 1 43 LYS HD3 . . 4.060 3.827 3.537 3.985 . 0 0 "[ . 1 . 2]" 1
672 1 28 ILE HA 1 43 LYS HE2 . . 4.820 4.341 4.098 4.500 . 0 0 "[ . 1 . 2]" 1
673 1 28 ILE HA 1 43 LYS HE3 . . 5.250 4.394 4.086 4.613 . 0 0 "[ . 1 . 2]" 1
674 1 28 ILE HA 1 43 LYS HG2 . . 4.280 4.230 4.131 4.282 0.002 9 0 "[ . 1 . 2]" 1
675 1 28 ILE HA 1 43 LYS HG3 . . 3.580 2.918 2.797 3.002 . 0 0 "[ . 1 . 2]" 1
676 1 28 ILE HA 1 46 ALA MB . . 4.100 3.559 3.347 3.821 . 0 0 "[ . 1 . 2]" 1
677 1 28 ILE HB 1 28 ILE MD . . 3.260 2.369 2.267 2.453 . 0 0 "[ . 1 . 2]" 1
678 1 28 ILE HB 1 29 LEU H . . 3.240 2.859 2.630 3.042 . 0 0 "[ . 1 . 2]" 1
679 1 28 ILE HB 1 29 LEU MD1 . . 4.630 3.210 2.879 3.442 . 0 0 "[ . 1 . 2]" 1
680 1 28 ILE HB 1 47 LEU QD . . 5.000 4.250 3.366 4.735 . 0 0 "[ . 1 . 2]" 1
681 1 28 ILE MD 1 43 LYS HD2 . . 4.460 4.234 4.005 4.375 . 0 0 "[ . 1 . 2]" 1
682 1 28 ILE MD 1 46 ALA HA . . 5.380 4.640 4.149 5.057 . 0 0 "[ . 1 . 2]" 1
683 1 28 ILE MD 1 46 ALA MB . . 3.090 2.683 1.995 3.086 . 0 0 "[ . 1 . 2]" 1
684 1 28 ILE MD 1 47 LEU HA . . 3.950 3.378 3.041 3.650 . 0 0 "[ . 1 . 2]" 1
685 1 28 ILE MD 1 50 MET H . . 5.250 4.755 4.559 4.904 . 0 0 "[ . 1 . 2]" 1
686 1 28 ILE MD 1 50 MET HB2 . . 4.630 3.516 3.331 3.727 . 0 0 "[ . 1 . 2]" 1
687 1 28 ILE MD 1 50 MET HB3 . . 4.280 4.192 3.968 4.286 0.006 9 0 "[ . 1 . 2]" 1
688 1 28 ILE MD 1 50 MET ME . . 2.890 2.602 2.300 2.896 0.006 20 0 "[ . 1 . 2]" 1
689 1 28 ILE MD 1 50 MET HG2 . . 4.300 4.057 3.678 4.279 . 0 0 "[ . 1 . 2]" 1
690 1 28 ILE MD 1 50 MET HG3 . . 4.300 2.667 2.292 3.416 . 0 0 "[ . 1 . 2]" 1
691 1 28 ILE HG12 1 43 LYS HD2 . . 4.090 2.629 2.348 2.828 . 0 0 "[ . 1 . 2]" 1
692 1 28 ILE HG12 1 43 LYS HD3 . . 4.450 3.485 3.063 3.824 . 0 0 "[ . 1 . 2]" 1
693 1 28 ILE HG12 1 43 LYS HG2 . . 5.500 5.249 5.003 5.497 . 0 0 "[ . 1 . 2]" 1
694 1 28 ILE HG12 1 43 LYS HG3 . . 5.200 4.656 4.413 4.855 . 0 0 "[ . 1 . 2]" 1
695 1 28 ILE HG12 1 46 ALA MB . . 3.530 2.487 2.206 2.821 . 0 0 "[ . 1 . 2]" 1
696 1 28 ILE HG13 1 29 LEU H . . 4.210 4.025 3.825 4.184 . 0 0 "[ . 1 . 2]" 1
697 1 28 ILE MG 1 29 LEU H . . 4.120 3.814 3.647 3.954 . 0 0 "[ . 1 . 2]" 1
698 1 28 ILE MG 1 29 LEU HA . . 4.800 4.100 3.932 4.283 . 0 0 "[ . 1 . 2]" 1
699 1 28 ILE MG 1 29 LEU MD1 . . 4.410 3.430 3.249 3.599 . 0 0 "[ . 1 . 2]" 1
700 1 28 ILE MG 1 29 LEU HG . . 2.900 2.544 2.300 2.762 . 0 0 "[ . 1 . 2]" 1
701 1 28 ILE MG 1 43 LYS H . . 3.950 3.069 2.973 3.342 . 0 0 "[ . 1 . 2]" 1
702 1 28 ILE MG 1 43 LYS HB2 . . 3.390 2.138 1.990 2.296 . 0 0 "[ . 1 . 2]" 1
703 1 28 ILE MG 1 43 LYS HB3 . . 3.950 3.285 3.056 3.569 . 0 0 "[ . 1 . 2]" 1
704 1 28 ILE MG 1 43 LYS HD2 . . 4.120 3.480 3.244 3.726 . 0 0 "[ . 1 . 2]" 1
705 1 28 ILE MG 1 43 LYS HD3 . . 4.300 4.066 3.841 4.214 . 0 0 "[ . 1 . 2]" 1
706 1 28 ILE MG 1 43 LYS HG2 . . 5.320 4.790 4.605 4.955 . 0 0 "[ . 1 . 2]" 1
707 1 28 ILE MG 1 43 LYS HG3 . . 4.650 4.199 4.077 4.312 . 0 0 "[ . 1 . 2]" 1
708 1 28 ILE MG 1 46 ALA H . . 4.150 3.874 3.617 4.080 . 0 0 "[ . 1 . 2]" 1
709 1 28 ILE MG 1 46 ALA HA . . 4.910 4.412 4.123 4.616 . 0 0 "[ . 1 . 2]" 1
710 1 28 ILE MG 1 46 ALA MB . . 3.100 2.193 1.971 2.523 . 0 0 "[ . 1 . 2]" 1
711 1 28 ILE MG 1 47 LEU H . . 2.990 2.695 2.515 2.905 . 0 0 "[ . 1 . 2]" 1
712 1 28 ILE MG 1 47 LEU HA . . 3.100 2.283 1.979 2.476 . 0 0 "[ . 1 . 2]" 1
713 1 28 ILE MG 1 47 LEU HB2 . . 3.410 2.284 2.050 2.409 . 0 0 "[ . 1 . 2]" 1
714 1 28 ILE MG 1 47 LEU HB3 . . 3.610 3.517 3.252 3.612 0.002 8 0 "[ . 1 . 2]" 1
715 1 28 ILE MG 1 50 MET HB2 . . 4.630 4.206 3.798 4.473 . 0 0 "[ . 1 . 2]" 1
716 1 28 ILE MG 1 50 MET QG . . 5.340 4.225 3.861 4.609 . 0 0 "[ . 1 . 2]" 1
717 1 29 LEU H 1 29 LEU HB2 . . 3.400 2.834 2.749 2.929 . 0 0 "[ . 1 . 2]" 1
718 1 29 LEU H 1 29 LEU HB3 . . 4.080 3.869 3.838 3.910 . 0 0 "[ . 1 . 2]" 1
719 1 29 LEU H 1 29 LEU MD1 . . 4.100 3.656 3.308 3.926 . 0 0 "[ . 1 . 2]" 1
720 1 29 LEU H 1 29 LEU MD2 . . 4.740 4.173 3.975 4.247 . 0 0 "[ . 1 . 2]" 1
721 1 29 LEU H 1 29 LEU HG . . 3.550 2.966 2.794 3.146 . 0 0 "[ . 1 . 2]" 1
722 1 29 LEU H 1 42 VAL HB . . 4.430 3.987 3.763 4.287 . 0 0 "[ . 1 . 2]" 1
723 1 29 LEU H 1 42 VAL MG2 . . 4.560 3.773 3.568 4.111 . 0 0 "[ . 1 . 2]" 1
724 1 29 LEU HA 1 29 LEU MD1 . . 4.380 3.964 3.937 3.992 . 0 0 "[ . 1 . 2]" 1
725 1 29 LEU HA 1 29 LEU MD2 . . 3.410 2.574 2.333 2.836 . 0 0 "[ . 1 . 2]" 1
726 1 29 LEU HA 1 30 GLU H . . 2.870 2.485 2.444 2.556 . 0 0 "[ . 1 . 2]" 1
727 1 29 LEU HA 1 30 GLU QG . . 5.110 4.190 3.661 4.477 . 0 0 "[ . 1 . 2]" 1
728 1 29 LEU HA 1 40 ARG H . . 4.730 4.561 4.425 4.726 . 0 0 "[ . 1 . 2]" 1
729 1 29 LEU HA 1 41 VAL HA . . 3.810 2.716 2.516 2.980 . 0 0 "[ . 1 . 2]" 1
730 1 29 LEU HA 1 42 VAL H . . 3.450 2.194 2.034 2.385 . 0 0 "[ . 1 . 2]" 1
731 1 29 LEU HA 1 42 VAL HB . . 4.630 3.580 3.356 3.923 . 0 0 "[ . 1 . 2]" 1
732 1 29 LEU HA 1 42 VAL MG2 . . 3.710 2.713 2.440 2.933 . 0 0 "[ . 1 . 2]" 1
733 1 29 LEU HA 1 43 LYS H . . 4.560 4.006 3.919 4.158 . 0 0 "[ . 1 . 2]" 1
734 1 29 LEU HB2 1 29 LEU MD1 . . 3.250 2.114 1.972 2.204 . 0 0 "[ . 1 . 2]" 1
735 1 29 LEU HB2 1 30 GLU H . . 3.810 3.301 3.187 3.471 . 0 0 "[ . 1 . 2]" 1
736 1 29 LEU HB3 1 30 GLU H . . 3.520 2.300 2.162 2.392 . 0 0 "[ . 1 . 2]" 1
737 1 29 LEU HB3 1 42 VAL H . . 4.880 4.378 4.098 4.665 . 0 0 "[ . 1 . 2]" 1
738 1 29 LEU MD1 1 30 GLU H . . 4.580 4.538 4.435 4.583 0.003 19 0 "[ . 1 . 2]" 1
739 1 29 LEU MD1 1 39 PHE QD . . 4.910 3.714 3.213 4.379 . 0 0 "[ . 1 . 2]" 1
740 1 29 LEU MD1 1 39 PHE QE . . 5.340 4.088 3.464 5.050 . 0 0 "[ . 1 . 2]" 1
741 1 29 LEU MD1 1 47 LEU QD . . 3.840 2.810 2.296 3.263 . 0 0 "[ . 1 . 2]" 1
742 1 29 LEU MD2 1 30 GLU H . . 3.880 3.548 3.290 3.769 . 0 0 "[ . 1 . 2]" 1
743 1 29 LEU MD2 1 39 PHE QD . . 3.890 2.301 2.082 3.006 . 0 0 "[ . 1 . 2]" 1
744 1 29 LEU MD2 1 39 PHE QE . . 4.310 2.648 2.093 3.446 . 0 0 "[ . 1 . 2]" 1
745 1 29 LEU MD2 1 41 VAL H . . 4.800 4.119 3.867 4.376 . 0 0 "[ . 1 . 2]" 1
746 1 29 LEU MD2 1 41 VAL HA . . 3.250 2.090 1.939 2.306 . 0 0 "[ . 1 . 2]" 1
747 1 29 LEU MD2 1 41 VAL HB . . 4.630 4.204 3.907 4.468 . 0 0 "[ . 1 . 2]" 1
748 1 29 LEU MD2 1 42 VAL H . . 4.000 3.552 3.258 3.816 . 0 0 "[ . 1 . 2]" 1
749 1 29 LEU HG 1 42 VAL H . . 5.500 4.533 4.336 4.962 . 0 0 "[ . 1 . 2]" 1
750 1 30 GLU H 1 30 GLU QB . . 3.430 2.749 2.578 3.180 . 0 0 "[ . 1 . 2]" 1
751 1 30 GLU H 1 30 GLU HG2 . . 4.400 3.927 2.891 4.399 . 0 0 "[ . 1 . 2]" 1
752 1 30 GLU H 1 30 GLU HG3 . . 4.400 3.792 2.633 4.326 . 0 0 "[ . 1 . 2]" 1
753 1 30 GLU H 1 31 TRP H . . 4.470 4.360 4.315 4.395 . 0 0 "[ . 1 . 2]" 1
754 1 30 GLU H 1 39 PHE HA . . 4.750 4.261 4.072 4.470 . 0 0 "[ . 1 . 2]" 1
755 1 30 GLU H 1 39 PHE HB2 . . 4.510 3.312 3.121 3.488 . 0 0 "[ . 1 . 2]" 1
756 1 30 GLU H 1 40 ARG H . . 3.550 2.563 2.410 2.835 . 0 0 "[ . 1 . 2]" 1
757 1 30 GLU H 1 41 VAL HA . . 4.340 4.213 3.974 4.341 0.001 13 0 "[ . 1 . 2]" 1
758 1 30 GLU H 1 42 VAL H . . 4.280 3.835 3.697 3.955 . 0 0 "[ . 1 . 2]" 1
759 1 30 GLU H 1 42 VAL MG2 . . 3.500 3.358 3.111 3.499 . 0 0 "[ . 1 . 2]" 1
760 1 30 GLU HA 1 31 TRP H . . 2.800 2.257 2.221 2.313 . 0 0 "[ . 1 . 2]" 1
761 1 30 GLU QB 1 31 TRP H . . 3.430 2.863 2.606 2.962 . 0 0 "[ . 1 . 2]" 1
762 1 30 GLU QB 1 40 ARG H . . 4.760 3.425 2.955 4.355 . 0 0 "[ . 1 . 2]" 1
763 1 30 GLU QB 1 42 VAL MG2 . . 3.170 2.524 2.321 2.687 . 0 0 "[ . 1 . 2]" 1
764 1 30 GLU HB2 1 31 TRP H . . 4.210 3.825 2.650 4.212 0.002 19 0 "[ . 1 . 2]" 1
765 1 30 GLU HB2 1 42 VAL MG2 . . 3.900 2.903 2.398 3.900 0.000 2 0 "[ . 1 . 2]" 1
766 1 30 GLU HB3 1 31 TRP H . . 4.210 3.229 2.819 4.086 . 0 0 "[ . 1 . 2]" 1
767 1 30 GLU HB3 1 42 VAL MG2 . . 3.900 3.495 2.345 3.891 . 0 0 "[ . 1 . 2]" 1
768 1 30 GLU QG 1 31 TRP H . . 3.910 3.586 3.240 3.902 . 0 0 "[ . 1 . 2]" 1
769 1 30 GLU HG2 1 42 VAL MG2 . . 3.850 2.906 2.210 3.488 . 0 0 "[ . 1 . 2]" 1
770 1 30 GLU HG3 1 42 VAL MG2 . . 3.850 2.382 1.843 3.850 . 13 0 "[ . 1 . 2]" 1
771 1 31 TRP H 1 31 TRP HB2 . . 3.090 2.221 2.188 2.265 . 0 0 "[ . 1 . 2]" 1
772 1 31 TRP H 1 31 TRP HB3 . . 3.660 3.485 3.452 3.519 . 0 0 "[ . 1 . 2]" 1
773 1 31 TRP H 1 31 TRP HD1 . . 3.970 3.893 3.636 3.971 0.001 19 0 "[ . 1 . 2]" 1
774 1 31 TRP H 1 32 GLU H . . 4.560 4.210 4.090 4.469 . 0 0 "[ . 1 . 2]" 1
775 1 31 TRP H 1 39 PHE HA . . 5.280 5.050 4.946 5.266 . 0 0 "[ . 1 . 2]" 1
776 1 31 TRP HB2 1 31 TRP HD1 . . 3.590 2.549 2.547 2.552 . 0 0 "[ . 1 . 2]" 1
777 1 31 TRP HB2 1 31 TRP HE1 . . 4.800 4.751 4.750 4.752 . 0 0 "[ . 1 . 2]" 1
778 1 31 TRP HB2 1 32 GLU H . . 4.800 4.582 4.412 4.619 . 0 0 "[ . 1 . 2]" 1
779 1 31 TRP HB3 1 32 GLU H . . 4.220 3.881 3.423 4.018 . 0 0 "[ . 1 . 2]" 1
780 1 31 TRP HB3 1 34 ARG HA . . 4.490 4.412 4.291 4.490 . 0 0 "[ . 1 . 2]" 1
781 1 31 TRP HD1 1 34 ARG HD2 . . 4.800 4.477 3.931 4.800 . 0 0 "[ . 1 . 2]" 1
782 1 31 TRP HD1 1 34 ARG QD . . 4.200 3.493 2.975 3.986 . 0 0 "[ . 1 . 2]" 1
783 1 31 TRP HD1 1 34 ARG HD3 . . 4.800 3.686 3.042 4.305 . 0 0 "[ . 1 . 2]" 1
784 1 31 TRP HE1 1 34 ARG HD2 . . 4.450 4.034 3.509 4.446 . 0 0 "[ . 1 . 2]" 1
785 1 31 TRP HE1 1 34 ARG QD . . 3.810 3.545 2.911 3.806 . 0 0 "[ . 1 . 2]" 1
786 1 31 TRP HE1 1 34 ARG HD3 . . 4.450 4.027 2.995 4.440 . 0 0 "[ . 1 . 2]" 1
787 1 31 TRP HE1 1 34 ARG HE . . 4.730 4.106 2.791 4.706 . 0 0 "[ . 1 . 2]" 1
788 1 31 TRP HE3 1 32 GLU H . . 4.310 3.013 2.618 3.412 . 0 0 "[ . 1 . 2]" 1
789 1 31 TRP HE3 1 34 ARG HA . . 4.120 3.368 3.000 3.862 . 0 0 "[ . 1 . 2]" 1
790 1 31 TRP HE3 1 38 ILE H . . 4.160 4.105 3.946 4.165 0.005 17 0 "[ . 1 . 2]" 1
791 1 31 TRP HE3 1 39 PHE HA . . 4.800 3.662 3.375 3.991 . 0 0 "[ . 1 . 2]" 1
792 1 31 TRP HE3 1 39 PHE HB2 . . 4.770 4.609 4.366 4.764 . 0 0 "[ . 1 . 2]" 1
793 1 31 TRP HE3 1 39 PHE HB3 . . 4.200 3.480 3.241 3.714 . 0 0 "[ . 1 . 2]" 1
794 1 31 TRP HH2 1 89 PHE QD . . 4.490 3.379 2.795 3.700 . 0 0 "[ . 1 . 2]" 1
795 1 31 TRP HH2 1 89 PHE QE . . 3.970 3.440 3.094 3.922 . 0 0 "[ . 1 . 2]" 1
796 1 31 TRP HH2 1 96 TRP QB . . 3.880 2.657 2.118 3.174 . 0 0 "[ . 1 . 2]" 1
797 1 31 TRP HH2 1 96 TRP HE3 . . 4.200 3.747 3.371 4.160 . 0 0 "[ . 1 . 2]" 1
798 1 31 TRP HZ2 1 34 ARG QD . . 5.340 3.786 3.332 4.358 . 0 0 "[ . 1 . 2]" 1
799 1 31 TRP HZ2 1 96 TRP HB2 . . 4.800 3.669 3.201 4.159 . 0 0 "[ . 1 . 2]" 1
800 1 31 TRP HZ2 1 96 TRP QB . . 4.000 3.487 3.070 3.852 . 0 0 "[ . 1 . 2]" 1
801 1 31 TRP HZ2 1 96 TRP HB3 . . 4.800 4.391 3.602 4.805 0.005 20 0 "[ . 1 . 2]" 1
802 1 31 TRP HZ3 1 34 ARG HA . . 4.570 3.538 2.988 4.177 . 0 0 "[ . 1 . 2]" 1
803 1 31 TRP HZ3 1 37 GLY H . . 4.310 4.040 3.781 4.289 . 0 0 "[ . 1 . 2]" 1
804 1 31 TRP HZ3 1 37 GLY HA2 . . 4.060 2.299 2.167 2.455 . 0 0 "[ . 1 . 2]" 1
805 1 31 TRP HZ3 1 37 GLY HA3 . . 5.100 3.629 3.377 3.940 . 0 0 "[ . 1 . 2]" 1
806 1 31 TRP HZ3 1 38 ILE H . . 4.610 3.522 3.237 3.932 . 0 0 "[ . 1 . 2]" 1
807 1 31 TRP HZ3 1 39 PHE HB3 . . 4.630 3.304 2.978 3.516 . 0 0 "[ . 1 . 2]" 1
808 1 31 TRP HZ3 1 39 PHE QD . . 4.630 3.799 3.074 4.168 . 0 0 "[ . 1 . 2]" 1
809 1 32 GLU H 1 32 GLU HB2 . . 3.920 2.315 2.106 2.552 . 0 0 "[ . 1 . 2]" 1
810 1 32 GLU H 1 32 GLU QB . . 3.430 2.285 2.086 2.507 . 0 0 "[ . 1 . 2]" 1
811 1 32 GLU H 1 32 GLU HB3 . . 3.920 3.541 3.382 3.682 . 0 0 "[ . 1 . 2]" 1
812 1 32 GLU H 1 32 GLU HG2 . . 4.670 2.911 2.401 3.410 . 0 0 "[ . 1 . 2]" 1
813 1 32 GLU H 1 32 GLU HG3 . . 4.670 3.663 2.798 4.320 . 0 0 "[ . 1 . 2]" 1
814 1 32 GLU H 1 33 ASP H . . 3.270 2.405 2.194 2.515 . 0 0 "[ . 1 . 2]" 1
815 1 32 GLU H 1 38 ILE H . . 5.100 5.003 4.692 5.099 . 0 0 "[ . 1 . 2]" 1
816 1 32 GLU H 1 38 ILE MG . . 4.470 3.782 3.615 4.150 . 0 0 "[ . 1 . 2]" 1
817 1 32 GLU H 1 39 PHE HA . . 3.310 2.248 1.974 2.707 . 0 0 "[ . 1 . 2]" 1
818 1 32 GLU H 1 39 PHE HB2 . . 4.700 4.336 3.995 4.635 . 0 0 "[ . 1 . 2]" 1
819 1 32 GLU H 1 39 PHE HB3 . . 4.430 4.108 3.782 4.339 . 0 0 "[ . 1 . 2]" 1
820 1 32 GLU H 1 40 ARG H . . 4.440 3.741 3.529 4.316 . 0 0 "[ . 1 . 2]" 1
821 1 32 GLU HA 1 32 GLU HG2 . . 4.060 2.643 2.249 3.250 . 0 0 "[ . 1 . 2]" 1
822 1 32 GLU HA 1 32 GLU HG3 . . 4.060 3.643 3.492 3.762 . 0 0 "[ . 1 . 2]" 1
823 1 32 GLU QB 1 38 ILE MD . . 4.660 3.663 3.486 4.178 . 0 0 "[ . 1 . 2]" 1
824 1 32 GLU QB 1 38 ILE MG . . 3.160 2.157 1.950 2.557 . 0 0 "[ . 1 . 2]" 1
825 1 32 GLU QB 1 86 VAL MG1 . . 3.990 3.577 3.228 3.913 . 0 0 "[ . 1 . 2]" 1
826 1 32 GLU QB 1 86 VAL MG2 . . 5.340 4.409 4.079 4.834 . 0 0 "[ . 1 . 2]" 1
827 1 32 GLU HB2 1 33 ASP H . . 4.060 2.932 2.395 3.346 . 0 0 "[ . 1 . 2]" 1
828 1 32 GLU HB2 1 38 ILE MG . . 3.670 2.224 2.017 2.636 . 0 0 "[ . 1 . 2]" 1
829 1 32 GLU HB3 1 33 ASP H . . 4.060 3.644 3.240 3.948 . 0 0 "[ . 1 . 2]" 1
830 1 32 GLU HB3 1 38 ILE MG . . 3.670 2.941 2.503 3.446 . 0 0 "[ . 1 . 2]" 1
831 1 32 GLU QG 1 40 ARG H . . 4.510 3.289 2.720 4.011 . 0 0 "[ . 1 . 2]" 1
832 1 32 GLU QG 1 40 ARG HB2 . . 4.200 2.703 2.334 3.128 . 0 0 "[ . 1 . 2]" 1
833 1 32 GLU QG 1 40 ARG HB3 . . 4.040 3.096 2.917 3.401 . 0 0 "[ . 1 . 2]" 1
834 1 32 GLU QG 1 40 ARG HD2 . . 5.340 4.308 3.715 4.864 . 0 0 "[ . 1 . 2]" 1
835 1 32 GLU QG 1 40 ARG HD3 . . 5.340 4.257 3.800 4.929 . 0 0 "[ . 1 . 2]" 1
836 1 32 GLU QG 1 86 VAL MG1 . . 4.200 3.015 2.554 3.471 . 0 0 "[ . 1 . 2]" 1
837 1 32 GLU QG 1 86 VAL MG2 . . 4.100 3.172 2.663 3.996 . 0 0 "[ . 1 . 2]" 1
838 1 32 GLU HG2 1 38 ILE MG . . 4.280 3.937 3.207 4.260 . 0 0 "[ . 1 . 2]" 1
839 1 32 GLU HG2 1 86 VAL MG1 . . 4.800 4.355 3.586 4.735 . 0 0 "[ . 1 . 2]" 1
840 1 32 GLU HG2 1 86 VAL MG2 . . 4.740 4.301 3.614 4.743 0.003 13 0 "[ . 1 . 2]" 1
841 1 32 GLU HG3 1 38 ILE MG . . 4.280 3.003 2.632 3.408 . 0 0 "[ . 1 . 2]" 1
842 1 32 GLU HG3 1 86 VAL MG1 . . 4.800 3.078 2.580 3.595 . 0 0 "[ . 1 . 2]" 1
843 1 32 GLU HG3 1 86 VAL MG2 . . 4.740 3.274 2.742 4.308 . 0 0 "[ . 1 . 2]" 1
844 1 33 ASP H 1 38 ILE H . . 4.470 3.369 2.938 3.594 . 0 0 "[ . 1 . 2]" 1
845 1 33 ASP H 1 38 ILE HB . . 3.780 3.092 2.260 3.363 . 0 0 "[ . 1 . 2]" 1
846 1 33 ASP H 1 38 ILE MD . . 4.800 4.555 4.306 4.799 . 0 0 "[ . 1 . 2]" 1
847 1 33 ASP H 1 38 ILE MG . . 4.120 4.009 3.780 4.120 . 0 0 "[ . 1 . 2]" 1
848 1 33 ASP H 1 39 PHE H . . 5.500 5.219 4.896 5.423 . 0 0 "[ . 1 . 2]" 1
849 1 33 ASP H 1 39 PHE HA . . 4.380 4.047 3.852 4.377 . 0 0 "[ . 1 . 2]" 1
850 1 33 ASP QB 1 36 GLN H . . 3.950 2.389 2.061 2.793 . 0 0 "[ . 1 . 2]" 1
851 1 33 ASP QB 1 36 GLN HB2 . . 3.540 2.262 2.008 2.602 . 0 0 "[ . 1 . 2]" 1
852 1 33 ASP QB 1 36 GLN HB3 . . 4.690 3.798 3.544 4.165 . 0 0 "[ . 1 . 2]" 1
853 1 33 ASP QB 1 37 GLY H . . 4.690 3.003 2.702 3.626 . 0 0 "[ . 1 . 2]" 1
854 1 33 ASP QB 1 38 ILE H . . 3.530 2.667 2.049 3.330 . 0 0 "[ . 1 . 2]" 1
855 1 33 ASP QB 1 38 ILE HB . . 3.460 2.208 1.990 2.747 . 0 0 "[ . 1 . 2]" 1
856 1 33 ASP QB 1 38 ILE MD . . 3.230 2.319 1.993 3.236 0.006 19 0 "[ . 1 . 2]" 1
857 1 33 ASP QB 1 38 ILE MG . . 4.400 3.610 3.254 3.988 . 0 0 "[ . 1 . 2]" 1
858 1 33 ASP HB2 1 36 GLN H . . 4.560 4.056 3.557 4.425 . 0 0 "[ . 1 . 2]" 1
859 1 33 ASP HB2 1 36 GLN HB2 . . 4.380 3.111 2.435 3.933 . 0 0 "[ . 1 . 2]" 1
860 1 33 ASP HB2 1 38 ILE H . . 4.110 3.087 2.065 3.719 . 0 0 "[ . 1 . 2]" 1
861 1 33 ASP HB2 1 38 ILE HB . . 4.280 2.243 2.001 2.801 . 0 0 "[ . 1 . 2]" 1
862 1 33 ASP HB2 1 38 ILE MD . . 3.740 2.431 2.029 3.605 . 0 0 "[ . 1 . 2]" 1
863 1 33 ASP HB3 1 36 GLN H . . 4.560 2.408 2.070 2.824 . 0 0 "[ . 1 . 2]" 1
864 1 33 ASP HB3 1 36 GLN HB2 . . 4.380 2.353 2.055 2.735 . 0 0 "[ . 1 . 2]" 1
865 1 33 ASP HB3 1 38 ILE H . . 4.110 3.060 2.328 3.757 . 0 0 "[ . 1 . 2]" 1
866 1 33 ASP HB3 1 38 ILE HB . . 4.280 3.468 2.756 3.973 . 0 0 "[ . 1 . 2]" 1
867 1 33 ASP HB3 1 38 ILE MD . . 3.740 2.971 2.638 3.660 . 0 0 "[ . 1 . 2]" 1
868 1 34 ARG H 1 34 ARG HB2 . . 4.140 2.362 2.130 2.579 . 0 0 "[ . 1 . 2]" 1
869 1 34 ARG H 1 34 ARG QB . . 3.600 2.301 2.090 2.525 . 0 0 "[ . 1 . 2]" 1
870 1 34 ARG H 1 34 ARG HB3 . . 4.140 3.238 2.711 3.612 . 0 0 "[ . 1 . 2]" 1
871 1 34 ARG H 1 34 ARG QD . . 5.020 3.674 3.412 3.977 . 0 0 "[ . 1 . 2]" 1
872 1 34 ARG H 1 35 GLU H . . 3.730 2.651 2.530 3.036 . 0 0 "[ . 1 . 2]" 1
873 1 34 ARG H 1 35 GLU QB . . 5.340 4.496 4.272 5.225 . 0 0 "[ . 1 . 2]" 1
874 1 34 ARG HA 1 34 ARG HD2 . . 4.280 2.463 1.991 3.356 . 0 0 "[ . 1 . 2]" 1
875 1 34 ARG HA 1 34 ARG QD . . 3.560 2.274 1.981 2.775 . 0 0 "[ . 1 . 2]" 1
876 1 34 ARG HA 1 34 ARG HD3 . . 4.280 3.278 2.392 3.869 . 0 0 "[ . 1 . 2]" 1
877 1 34 ARG HA 1 34 ARG HE . . 4.880 4.302 3.177 4.881 0.001 19 0 "[ . 1 . 2]" 1
878 1 34 ARG HA 1 36 GLN H . . 5.070 4.692 4.464 4.838 . 0 0 "[ . 1 . 2]" 1
879 1 34 ARG HA 1 37 GLY H . . 4.380 3.437 3.190 3.638 . 0 0 "[ . 1 . 2]" 1
880 1 34 ARG QB 1 35 GLU H . . 3.260 2.627 2.437 2.922 . 0 0 "[ . 1 . 2]" 1
881 1 34 ARG HB2 1 35 GLU H . . 4.020 3.162 2.497 3.749 . 0 0 "[ . 1 . 2]" 1
882 1 34 ARG HB3 1 35 GLU H . . 4.020 3.193 2.530 3.970 . 0 0 "[ . 1 . 2]" 1
883 1 34 ARG QG 1 35 GLU H . . 4.680 4.089 3.914 4.299 . 0 0 "[ . 1 . 2]" 1
884 1 34 ARG HG2 1 35 GLU H . . 5.470 4.597 4.159 5.103 . 0 0 "[ . 1 . 2]" 1
885 1 34 ARG HG3 1 35 GLU H . . 5.470 4.678 4.230 5.125 . 0 0 "[ . 1 . 2]" 1
886 1 35 GLU H 1 35 GLU QB . . 2.750 2.248 2.062 2.547 . 0 0 "[ . 1 . 2]" 1
887 1 35 GLU H 1 35 GLU HG2 . . 3.930 3.242 2.009 3.921 . 0 0 "[ . 1 . 2]" 1
888 1 35 GLU H 1 35 GLU QG . . 3.440 2.809 1.995 3.440 . 15 0 "[ . 1 . 2]" 1
889 1 35 GLU H 1 35 GLU HG3 . . 3.930 3.428 2.573 3.838 . 0 0 "[ . 1 . 2]" 1
890 1 35 GLU H 1 36 GLN H . . 3.030 2.779 2.575 2.997 . 0 0 "[ . 1 . 2]" 1
891 1 35 GLU H 1 36 GLN HG3 . . 4.800 4.623 4.169 4.786 . 0 0 "[ . 1 . 2]" 1
892 1 35 GLU H 1 37 GLY H . . 4.110 3.772 3.476 3.897 . 0 0 "[ . 1 . 2]" 1
893 1 35 GLU HA 1 35 GLU QG . . 3.640 2.450 2.033 3.339 . 0 0 "[ . 1 . 2]" 1
894 1 35 GLU HA 1 37 GLY H . . 4.560 4.389 3.884 4.560 . 0 0 "[ . 1 . 2]" 1
895 1 35 GLU HA 1 96 TRP HZ3 . . 4.800 4.062 3.777 4.265 . 0 0 "[ . 1 . 2]" 1
896 1 35 GLU QB 1 36 GLN H . . 3.320 2.572 2.327 3.305 . 0 0 "[ . 1 . 2]" 1
897 1 35 GLU QB 1 36 GLN HG3 . . 4.570 3.515 2.782 4.103 . 0 0 "[ . 1 . 2]" 1
898 1 35 GLU HB2 1 36 GLN H . . 3.790 2.746 2.397 3.640 . 0 0 "[ . 1 . 2]" 1
899 1 35 GLU HB2 1 36 GLN HG3 . . 5.240 3.795 2.898 4.397 . 0 0 "[ . 1 . 2]" 1
900 1 35 GLU HB2 1 37 GLY H . . 5.500 4.805 4.559 5.296 . 0 0 "[ . 1 . 2]" 1
901 1 35 GLU HB3 1 36 GLN H . . 3.790 3.174 2.721 3.791 0.001 12 0 "[ . 1 . 2]" 1
902 1 35 GLU HB3 1 36 GLN HG3 . . 5.240 4.237 2.961 4.992 . 0 0 "[ . 1 . 2]" 1
903 1 35 GLU HB3 1 37 GLY H . . 5.500 5.167 4.779 5.393 . 0 0 "[ . 1 . 2]" 1
904 1 35 GLU QG 1 36 GLN H . . 4.530 3.908 1.829 4.382 . 0 0 "[ . 1 . 2]" 1
905 1 36 GLN H 1 36 GLN HB2 . . 3.070 2.649 2.522 2.845 . 0 0 "[ . 1 . 2]" 1
906 1 36 GLN H 1 36 GLN HB3 . . 3.790 3.613 3.580 3.650 . 0 0 "[ . 1 . 2]" 1
907 1 36 GLN H 1 36 GLN HG2 . . 3.340 2.763 2.312 3.389 0.049 13 0 "[ . 1 . 2]" 1
908 1 36 GLN H 1 36 GLN HG3 . . 3.440 2.380 1.885 2.558 . 0 0 "[ . 1 . 2]" 1
909 1 36 GLN H 1 37 GLY H . . 3.040 2.426 2.283 2.480 . 0 0 "[ . 1 . 2]" 1
910 1 36 GLN H 1 37 GLY HA2 . . 4.750 4.722 4.610 4.762 0.012 1 0 "[ . 1 . 2]" 1
911 1 36 GLN H 1 38 ILE H . . 4.110 3.949 3.692 4.079 . 0 0 "[ . 1 . 2]" 1
912 1 36 GLN H 1 38 ILE MD . . 4.510 4.273 4.016 4.531 0.021 19 0 "[ . 1 . 2]" 1
913 1 36 GLN H 1 38 ILE HG13 . . 5.490 4.880 4.566 5.122 . 0 0 "[ . 1 . 2]" 1
914 1 36 GLN HA 1 36 GLN HE21 . . 4.970 3.535 3.051 5.004 0.034 1 0 "[ . 1 . 2]" 1
915 1 36 GLN HA 1 36 GLN HG2 . . 3.470 2.602 2.471 2.938 . 0 0 "[ . 1 . 2]" 1
916 1 36 GLN HA 1 36 GLN HG3 . . 3.810 3.551 3.016 3.732 . 0 0 "[ . 1 . 2]" 1
917 1 36 GLN HA 1 38 ILE H . . 5.030 4.847 4.504 4.980 . 0 0 "[ . 1 . 2]" 1
918 1 36 GLN HA 1 96 TRP HH2 . . 4.490 3.631 3.014 4.032 . 0 0 "[ . 1 . 2]" 1
919 1 36 GLN HB2 1 36 GLN HE21 . . 4.350 3.879 3.345 4.250 . 0 0 "[ . 1 . 2]" 1
920 1 36 GLN HB2 1 36 GLN HE22 . . 4.880 4.587 3.933 4.855 . 0 0 "[ . 1 . 2]" 1
921 1 36 GLN HB2 1 37 GLY H . . 3.890 2.949 2.747 3.474 . 0 0 "[ . 1 . 2]" 1
922 1 36 GLN HB2 1 38 ILE H . . 3.280 2.860 2.664 3.178 . 0 0 "[ . 1 . 2]" 1
923 1 36 GLN HB2 1 38 ILE MD . . 3.090 2.136 1.926 2.344 . 0 0 "[ . 1 . 2]" 1
924 1 36 GLN HB3 1 37 GLY H . . 4.310 4.058 3.901 4.286 . 0 0 "[ . 1 . 2]" 1
925 1 36 GLN HB3 1 38 ILE H . . 4.510 4.225 3.926 4.528 0.018 19 0 "[ . 1 . 2]" 1
926 1 36 GLN HB3 1 38 ILE MD . . 3.620 2.653 2.216 2.920 . 0 0 "[ . 1 . 2]" 1
927 1 36 GLN HB3 1 38 ILE HG12 . . 4.770 4.278 3.481 4.702 . 0 0 "[ . 1 . 2]" 1
928 1 36 GLN HB3 1 88 LYS HE2 . . 4.120 2.785 2.322 3.913 . 0 0 "[ . 1 . 2]" 1
929 1 36 GLN HB3 1 88 LYS HE3 . . 4.120 2.466 2.050 3.343 . 0 0 "[ . 1 . 2]" 1
930 1 36 GLN HE21 1 36 GLN HG2 . . 3.550 2.476 2.197 3.340 . 0 0 "[ . 1 . 2]" 1
931 1 36 GLN HE21 1 38 ILE MD . . 4.490 4.058 3.364 4.473 . 0 0 "[ . 1 . 2]" 1
932 1 36 GLN HE22 1 36 GLN HG2 . . 3.940 3.586 3.467 3.987 0.047 1 0 "[ . 1 . 2]" 1
933 1 36 GLN HE22 1 38 ILE MD . . 4.470 3.871 2.935 4.368 . 0 0 "[ . 1 . 2]" 1
934 1 36 GLN HG2 1 38 ILE MD . . 4.800 4.027 3.622 4.573 . 0 0 "[ . 1 . 2]" 1
935 1 36 GLN HG3 1 38 ILE H . . 4.960 4.737 4.259 4.971 0.011 19 0 "[ . 1 . 2]" 1
936 1 36 GLN HG3 1 38 ILE MD . . 4.120 3.193 2.725 3.961 . 0 0 "[ . 1 . 2]" 1
937 1 37 GLY H 1 38 ILE H . . 3.060 2.309 2.207 2.650 . 0 0 "[ . 1 . 2]" 1
938 1 37 GLY H 1 38 ILE MD . . 4.970 4.379 4.163 4.929 . 0 0 "[ . 1 . 2]" 1
939 1 37 GLY H 1 96 TRP HH2 . . 4.680 4.434 4.079 4.690 0.010 13 0 "[ . 1 . 2]" 1
940 1 37 GLY H 1 96 TRP HZ3 . . 3.770 3.301 2.759 3.780 0.010 10 0 "[ . 1 . 2]" 1
941 1 37 GLY HA2 1 89 PHE H . . 4.980 4.879 4.693 4.981 0.001 7 0 "[ . 1 . 2]" 1
942 1 37 GLY HA2 1 89 PHE QD . . 4.630 4.149 3.996 4.379 . 0 0 "[ . 1 . 2]" 1
943 1 37 GLY HA2 1 96 TRP HE3 . . 4.490 3.172 2.673 3.635 . 0 0 "[ . 1 . 2]" 1
944 1 37 GLY HA2 1 96 TRP HZ3 . . 4.490 3.044 2.664 3.444 . 0 0 "[ . 1 . 2]" 1
945 1 37 GLY HA3 1 89 PHE HB2 . . 4.630 3.713 3.613 3.796 . 0 0 "[ . 1 . 2]" 1
946 1 37 GLY HA3 1 89 PHE HB3 . . 5.500 5.419 5.315 5.506 0.006 17 0 "[ . 1 . 2]" 1
947 1 37 GLY HA3 1 89 PHE QD . . 4.630 3.833 3.574 4.137 . 0 0 "[ . 1 . 2]" 1
948 1 37 GLY HA3 1 96 TRP HH2 . . 4.490 3.064 2.535 3.450 . 0 0 "[ . 1 . 2]" 1
949 1 37 GLY HA3 1 96 TRP HZ2 . . 5.170 3.946 3.580 4.428 . 0 0 "[ . 1 . 2]" 1
950 1 37 GLY HA3 1 96 TRP HZ3 . . 4.800 2.809 2.553 3.185 . 0 0 "[ . 1 . 2]" 1
951 1 38 ILE H 1 38 ILE HB . . 3.410 2.520 2.475 2.716 . 0 0 "[ . 1 . 2]" 1
952 1 38 ILE H 1 38 ILE MD . . 3.760 3.298 3.104 3.482 . 0 0 "[ . 1 . 2]" 1
953 1 38 ILE H 1 38 ILE HG12 . . 4.200 3.749 1.877 4.005 . 0 0 "[ . 1 . 2]" 1
954 1 38 ILE H 1 38 ILE HG13 . . 3.710 2.471 2.237 3.432 . 0 0 "[ . 1 . 2]" 1
955 1 38 ILE H 1 38 ILE MG . . 3.780 3.783 3.767 3.795 0.015 20 0 "[ . 1 . 2]" 1
956 1 38 ILE H 1 39 PHE H . . 4.560 4.544 4.478 4.570 0.010 20 0 "[ . 1 . 2]" 1
957 1 38 ILE H 1 88 LYS HA . . 5.030 4.878 4.803 5.034 0.004 19 0 "[ . 1 . 2]" 1
958 1 38 ILE H 1 88 LYS HB2 . . 4.750 4.693 4.497 4.750 . 0 0 "[ . 1 . 2]" 1
959 1 38 ILE H 1 88 LYS HG3 . . 4.610 3.491 3.335 3.673 . 0 0 "[ . 1 . 2]" 1
960 1 38 ILE HA 1 39 PHE H . . 2.990 2.183 2.145 2.219 . 0 0 "[ . 1 . 2]" 1
961 1 38 ILE HA 1 88 LYS HA . . 3.850 2.334 2.245 2.889 . 0 0 "[ . 1 . 2]" 1
962 1 38 ILE HA 1 88 LYS HB2 . . 4.800 2.418 2.253 2.522 . 0 0 "[ . 1 . 2]" 1
963 1 38 ILE HB 1 38 ILE MD . . 3.520 2.297 2.081 3.226 . 0 0 "[ . 1 . 2]" 1
964 1 38 ILE HB 1 39 PHE H . . 4.580 4.054 3.934 4.203 . 0 0 "[ . 1 . 2]" 1
965 1 38 ILE MD 1 88 LYS HB2 . . 3.950 3.661 1.968 3.829 . 0 0 "[ . 1 . 2]" 1
966 1 38 ILE MD 1 88 LYS HD2 . . 3.670 3.411 2.342 3.679 0.009 13 0 "[ . 1 . 2]" 1
967 1 38 ILE MD 1 88 LYS HD3 . . 5.210 4.707 3.608 4.932 . 0 0 "[ . 1 . 2]" 1
968 1 38 ILE MD 1 88 LYS HE2 . . 4.120 3.766 3.233 4.122 0.002 18 0 "[ . 1 . 2]" 1
969 1 38 ILE MD 1 88 LYS HE3 . . 4.120 2.947 2.501 4.066 . 0 0 "[ . 1 . 2]" 1
970 1 38 ILE MD 1 88 LYS HG3 . . 3.710 3.536 2.080 3.690 . 0 0 "[ . 1 . 2]" 1
971 1 38 ILE HG12 1 38 ILE MG . . 3.430 2.228 2.068 3.193 . 0 0 "[ . 1 . 2]" 1
972 1 38 ILE HG12 1 39 PHE H . . 5.070 4.443 4.303 5.136 0.066 19 0 "[ . 1 . 2]" 1
973 1 38 ILE HG12 1 88 LYS HB2 . . 4.630 2.159 2.000 4.444 . 0 0 "[ . 1 . 2]" 1
974 1 38 ILE MG 1 39 PHE H . . 3.330 2.376 2.165 2.701 . 0 0 "[ . 1 . 2]" 1
975 1 38 ILE MG 1 39 PHE HA . . 4.800 3.374 3.218 3.729 . 0 0 "[ . 1 . 2]" 1
976 1 38 ILE MG 1 39 PHE HB2 . . 5.500 5.133 5.017 5.431 . 0 0 "[ . 1 . 2]" 1
977 1 38 ILE MG 1 86 VAL HA . . 4.630 4.289 4.098 4.398 . 0 0 "[ . 1 . 2]" 1
978 1 38 ILE MG 1 86 VAL HB . . 5.020 4.531 4.134 4.725 . 0 0 "[ . 1 . 2]" 1
979 1 38 ILE MG 1 86 VAL MG1 . . 2.750 2.183 1.947 2.312 . 0 0 "[ . 1 . 2]" 1
980 1 38 ILE MG 1 87 TYR H . . 4.270 4.052 3.827 4.171 . 0 0 "[ . 1 . 2]" 1
981 1 38 ILE MG 1 88 LYS HA . . 4.380 3.694 3.539 4.298 . 0 0 "[ . 1 . 2]" 1
982 1 38 ILE MG 1 88 LYS HB2 . . 4.200 2.522 2.233 3.119 . 0 0 "[ . 1 . 2]" 1
983 1 38 ILE MG 1 88 LYS HD2 . . 5.490 4.372 3.952 4.660 . 0 0 "[ . 1 . 2]" 1
984 1 39 PHE H 1 39 PHE HB3 . . 4.190 3.204 3.116 3.307 . 0 0 "[ . 1 . 2]" 1
985 1 39 PHE H 1 39 PHE QD . . 3.540 2.462 2.124 2.857 . 0 0 "[ . 1 . 2]" 1
986 1 39 PHE H 1 86 VAL HA . . 5.030 4.924 4.779 5.027 . 0 0 "[ . 1 . 2]" 1
987 1 39 PHE H 1 86 VAL MG1 . . 3.980 3.627 3.354 3.868 . 0 0 "[ . 1 . 2]" 1
988 1 39 PHE H 1 87 TYR H . . 3.900 3.735 3.507 3.874 . 0 0 "[ . 1 . 2]" 1
989 1 39 PHE H 1 87 TYR HB2 . . 4.560 4.475 4.326 4.561 0.001 19 0 "[ . 1 . 2]" 1
990 1 39 PHE H 1 88 LYS HA . . 3.780 2.935 2.801 3.125 . 0 0 "[ . 1 . 2]" 1
991 1 39 PHE H 1 88 LYS HB3 . . 5.480 5.126 4.976 5.249 . 0 0 "[ . 1 . 2]" 1
992 1 39 PHE H 1 88 LYS HG2 . . 5.500 5.434 5.260 5.503 0.003 1 0 "[ . 1 . 2]" 1
993 1 39 PHE H 1 88 LYS HG3 . . 4.970 4.645 4.502 4.824 . 0 0 "[ . 1 . 2]" 1
994 1 39 PHE H 1 89 PHE H . . 4.960 4.651 4.474 4.966 0.006 19 0 "[ . 1 . 2]" 1
995 1 39 PHE HA 1 39 PHE QD . . 4.490 3.719 3.692 3.728 . 0 0 "[ . 1 . 2]" 1
996 1 39 PHE HA 1 40 ARG H . . 3.170 2.305 2.251 2.370 . 0 0 "[ . 1 . 2]" 1
997 1 39 PHE HA 1 40 ARG HB3 . . 4.650 4.406 4.270 4.466 . 0 0 "[ . 1 . 2]" 1
998 1 39 PHE HA 1 86 VAL MG1 . . 4.920 4.570 4.208 4.842 . 0 0 "[ . 1 . 2]" 1
999 1 39 PHE HB2 1 40 ARG H . . 3.380 2.704 2.524 2.847 . 0 0 "[ . 1 . 2]" 1
1000 1 39 PHE HB3 1 40 ARG H . . 4.000 3.957 3.829 4.005 0.005 19 0 "[ . 1 . 2]" 1
1001 1 39 PHE QD 1 40 ARG H . . 3.780 3.610 3.467 3.772 . 0 0 "[ . 1 . 2]" 1
1002 1 39 PHE QD 1 40 ARG HA . . 4.800 4.124 3.820 4.327 . 0 0 "[ . 1 . 2]" 1
1003 1 39 PHE QD 1 41 VAL H . . 5.220 4.729 4.532 5.035 . 0 0 "[ . 1 . 2]" 1
1004 1 39 PHE QD 1 87 TYR H . . 4.900 4.215 3.937 4.329 . 0 0 "[ . 1 . 2]" 1
1005 1 39 PHE QD 1 89 PHE H . . 4.720 3.274 3.055 3.588 . 0 0 "[ . 1 . 2]" 1
1006 1 39 PHE QD 1 89 PHE QE . . 4.960 2.889 2.523 3.344 . 0 0 "[ . 1 . 2]" 1
1007 1 39 PHE QE 1 69 LEU QD . . 5.420 3.999 3.730 4.285 . 0 0 "[ . 1 . 2]" 1
1008 1 39 PHE QE 1 78 LEU MD1 . . 5.250 4.329 3.350 4.715 . 0 0 "[ . 1 . 2]" 1
1009 1 39 PHE QE 1 78 LEU QD . . 4.360 2.742 2.534 3.375 . 0 0 "[ . 1 . 2]" 1
1010 1 39 PHE QE 1 78 LEU MD2 . . 5.250 2.843 2.555 4.172 . 0 0 "[ . 1 . 2]" 1
1011 1 39 PHE QE 1 87 TYR H . . 5.470 4.331 4.135 4.442 . 0 0 "[ . 1 . 2]" 1
1012 1 39 PHE QE 1 87 TYR HB2 . . 4.580 2.922 2.450 3.108 . 0 0 "[ . 1 . 2]" 1
1013 1 39 PHE QE 1 87 TYR HB3 . . 4.490 3.460 3.033 3.788 . 0 0 "[ . 1 . 2]" 1
1014 1 39 PHE QE 1 89 PHE H . . 4.960 3.055 2.526 3.577 . 0 0 "[ . 1 . 2]" 1
1015 1 39 PHE QE 1 89 PHE QE . . 5.340 3.241 2.880 3.609 . 0 0 "[ . 1 . 2]" 1
1016 1 39 PHE QE 1 89 PHE HZ . . 4.490 3.709 3.470 4.034 . 0 0 "[ . 1 . 2]" 1
1017 1 39 PHE HZ 1 78 LEU MD1 . . 4.630 3.783 3.410 4.398 . 0 0 "[ . 1 . 2]" 1
1018 1 39 PHE HZ 1 78 LEU QD . . 3.670 2.714 1.960 3.303 . 0 0 "[ . 1 . 2]" 1
1019 1 39 PHE HZ 1 78 LEU MD2 . . 4.630 2.799 1.969 3.530 . 0 0 "[ . 1 . 2]" 1
1020 1 39 PHE HZ 1 87 TYR HB2 . . 4.380 2.669 2.462 2.910 . 0 0 "[ . 1 . 2]" 1
1021 1 39 PHE HZ 1 87 TYR HB3 . . 4.800 3.290 2.701 3.573 . 0 0 "[ . 1 . 2]" 1
1022 1 39 PHE HZ 1 87 TYR QD . . 4.630 4.255 4.047 4.485 . 0 0 "[ . 1 . 2]" 1
1023 1 40 ARG H 1 40 ARG HB2 . . 3.740 3.163 3.082 3.347 . 0 0 "[ . 1 . 2]" 1
1024 1 40 ARG H 1 40 ARG HB3 . . 3.610 2.474 2.414 2.543 . 0 0 "[ . 1 . 2]" 1
1025 1 40 ARG H 1 40 ARG HG2 . . 4.290 4.238 4.080 4.292 0.002 7 0 "[ . 1 . 2]" 1
1026 1 40 ARG H 1 41 VAL H . . 4.510 4.492 4.458 4.509 . 0 0 "[ . 1 . 2]" 1
1027 1 40 ARG H 1 42 VAL MG2 . . 5.130 4.657 4.509 4.799 . 0 0 "[ . 1 . 2]" 1
1028 1 40 ARG H 1 86 VAL HA . . 4.880 4.793 4.707 4.879 . 0 0 "[ . 1 . 2]" 1
1029 1 40 ARG H 1 86 VAL MG1 . . 5.370 4.704 4.319 4.989 . 0 0 "[ . 1 . 2]" 1
1030 1 40 ARG H 1 86 VAL MG2 . . 5.500 4.773 4.513 4.982 . 0 0 "[ . 1 . 2]" 1
1031 1 40 ARG HA 1 40 ARG HG3 . . 4.200 2.805 2.598 2.943 . 0 0 "[ . 1 . 2]" 1
1032 1 40 ARG HA 1 41 VAL H . . 2.840 2.255 2.218 2.319 . 0 0 "[ . 1 . 2]" 1
1033 1 40 ARG HA 1 41 VAL HB . . 4.720 4.674 4.607 4.719 . 0 0 "[ . 1 . 2]" 1
1034 1 40 ARG HA 1 41 VAL QG . . 4.180 3.507 3.354 3.666 . 0 0 "[ . 1 . 2]" 1
1035 1 40 ARG HA 1 86 VAL H . . 4.880 4.793 4.703 4.880 0.000 10 0 "[ . 1 . 2]" 1
1036 1 40 ARG HA 1 86 VAL HA . . 3.490 2.126 2.035 2.266 . 0 0 "[ . 1 . 2]" 1
1037 1 40 ARG HA 1 86 VAL MG1 . . 4.290 3.454 3.210 3.714 . 0 0 "[ . 1 . 2]" 1
1038 1 40 ARG HA 1 86 VAL MG2 . . 3.740 3.025 2.735 3.397 . 0 0 "[ . 1 . 2]" 1
1039 1 40 ARG HA 1 87 TYR H . . 3.730 2.993 2.854 3.113 . 0 0 "[ . 1 . 2]" 1
1040 1 40 ARG HB2 1 40 ARG HD2 . . 4.110 2.760 2.378 3.246 . 0 0 "[ . 1 . 2]" 1
1041 1 40 ARG HB2 1 40 ARG HE . . 4.800 4.537 4.374 4.791 . 0 0 "[ . 1 . 2]" 1
1042 1 40 ARG HB2 1 41 VAL H . . 3.940 3.870 3.670 3.937 . 0 0 "[ . 1 . 2]" 1
1043 1 40 ARG HB2 1 42 VAL MG2 . . 5.500 4.956 4.842 5.059 . 0 0 "[ . 1 . 2]" 1
1044 1 40 ARG HB2 1 86 VAL HA . . 4.630 3.357 3.185 3.515 . 0 0 "[ . 1 . 2]" 1
1045 1 40 ARG HB2 1 86 VAL MG1 . . 3.930 3.422 3.183 3.711 . 0 0 "[ . 1 . 2]" 1
1046 1 40 ARG HB2 1 86 VAL MG2 . . 3.300 2.302 2.050 2.510 . 0 0 "[ . 1 . 2]" 1
1047 1 40 ARG HB2 1 87 TYR H . . 5.500 4.864 4.598 5.077 . 0 0 "[ . 1 . 2]" 1
1048 1 40 ARG HB3 1 40 ARG HD3 . . 4.040 2.320 2.119 2.671 . 0 0 "[ . 1 . 2]" 1
1049 1 40 ARG HB3 1 40 ARG HE . . 4.470 4.223 3.420 4.470 . 0 0 "[ . 1 . 2]" 1
1050 1 40 ARG HB3 1 41 VAL H . . 4.230 4.028 3.937 4.148 . 0 0 "[ . 1 . 2]" 1
1051 1 40 ARG HB3 1 42 VAL MG2 . . 4.490 3.653 3.500 3.896 . 0 0 "[ . 1 . 2]" 1
1052 1 40 ARG HB3 1 86 VAL HA . . 4.800 4.701 4.557 4.800 . 1 0 "[ . 1 . 2]" 1
1053 1 40 ARG HB3 1 86 VAL MG2 . . 3.950 3.791 3.589 3.949 . 0 0 "[ . 1 . 2]" 1
1054 1 40 ARG HD2 1 86 VAL MG2 . . 3.590 3.087 2.274 3.417 . 0 0 "[ . 1 . 2]" 1
1055 1 40 ARG HD3 1 42 VAL MG2 . . 4.000 3.273 2.814 3.986 . 0 0 "[ . 1 . 2]" 1
1056 1 40 ARG HE 1 42 VAL MG2 . . 4.970 3.448 2.341 4.393 . 0 0 "[ . 1 . 2]" 1
1057 1 40 ARG HG2 1 41 VAL H . . 3.980 2.536 2.251 3.106 . 0 0 "[ . 1 . 2]" 1
1058 1 40 ARG HG2 1 42 VAL HA . . 4.630 3.389 3.259 3.660 . 0 0 "[ . 1 . 2]" 1
1059 1 40 ARG HG2 1 42 VAL MG2 . . 4.000 3.154 2.816 3.504 . 0 0 "[ . 1 . 2]" 1
1060 1 40 ARG HG2 1 86 VAL MG2 . . 4.460 3.851 3.556 4.183 . 0 0 "[ . 1 . 2]" 1
1061 1 40 ARG HG3 1 41 VAL H . . 3.860 2.667 2.272 3.034 . 0 0 "[ . 1 . 2]" 1
1062 1 40 ARG HG3 1 86 VAL MG2 . . 3.900 2.398 2.106 2.780 . 0 0 "[ . 1 . 2]" 1
1063 1 41 VAL H 1 41 VAL HB . . 2.950 2.517 2.459 2.578 . 0 0 "[ . 1 . 2]" 1
1064 1 41 VAL H 1 41 VAL MG1 . . 3.980 3.793 3.771 3.822 . 0 0 "[ . 1 . 2]" 1
1065 1 41 VAL H 1 41 VAL QG . . 3.080 2.486 2.299 2.614 . 0 0 "[ . 1 . 2]" 1
1066 1 41 VAL H 1 41 VAL MG2 . . 3.980 2.522 2.319 2.666 . 0 0 "[ . 1 . 2]" 1
1067 1 41 VAL H 1 42 VAL H . . 4.610 3.928 3.809 4.050 . 0 0 "[ . 1 . 2]" 1
1068 1 41 VAL H 1 85 LEU HA . . 4.880 4.100 3.650 4.383 . 0 0 "[ . 1 . 2]" 1
1069 1 41 VAL H 1 85 LEU HB2 . . 4.550 4.340 4.078 4.539 . 0 0 "[ . 1 . 2]" 1
1070 1 41 VAL H 1 85 LEU HB3 . . 3.860 2.763 2.600 2.951 . 0 0 "[ . 1 . 2]" 1
1071 1 41 VAL H 1 85 LEU QD . . 4.570 4.019 3.624 4.251 . 0 0 "[ . 1 . 2]" 1
1072 1 41 VAL H 1 86 VAL HA . . 3.780 3.343 3.163 3.573 . 0 0 "[ . 1 . 2]" 1
1073 1 41 VAL H 1 86 VAL MG2 . . 4.490 3.857 3.550 4.239 . 0 0 "[ . 1 . 2]" 1
1074 1 41 VAL H 1 87 TYR H . . 4.610 4.209 4.020 4.520 . 0 0 "[ . 1 . 2]" 1
1075 1 41 VAL H 1 87 TYR QD . . 4.470 3.823 3.646 4.222 . 0 0 "[ . 1 . 2]" 1
1076 1 41 VAL H 1 87 TYR QE . . 5.500 4.466 4.093 4.965 . 0 0 "[ . 1 . 2]" 1
1077 1 41 VAL HA 1 41 VAL MG1 . . 3.450 2.409 2.352 2.469 . 0 0 "[ . 1 . 2]" 1
1078 1 41 VAL HA 1 41 VAL MG2 . . 3.450 2.354 2.225 2.472 . 0 0 "[ . 1 . 2]" 1
1079 1 41 VAL HA 1 42 VAL H . . 2.960 2.310 2.254 2.350 . 0 0 "[ . 1 . 2]" 1
1080 1 41 VAL HA 1 42 VAL HB . . 4.770 4.644 4.605 4.692 . 0 0 "[ . 1 . 2]" 1
1081 1 41 VAL HA 1 42 VAL MG2 . . 4.000 3.899 3.818 3.988 . 0 0 "[ . 1 . 2]" 1
1082 1 41 VAL HA 1 43 LYS H . . 3.980 3.782 3.542 3.982 0.002 17 0 "[ . 1 . 2]" 1
1083 1 41 VAL HB 1 42 VAL H . . 4.670 4.476 4.450 4.502 . 0 0 "[ . 1 . 2]" 1
1084 1 41 VAL HB 1 62 TYR QE . . 4.630 4.289 4.060 4.503 . 0 0 "[ . 1 . 2]" 1
1085 1 41 VAL HB 1 85 LEU HB3 . . 4.720 2.747 2.397 3.163 . 0 0 "[ . 1 . 2]" 1
1086 1 41 VAL HB 1 85 LEU QD . . 3.650 2.970 1.995 3.450 . 0 0 "[ . 1 . 2]" 1
1087 1 41 VAL HB 1 85 LEU HG . . 4.320 2.936 2.370 4.112 . 0 0 "[ . 1 . 2]" 1
1088 1 41 VAL HB 1 87 TYR QE . . 4.280 3.662 3.462 3.952 . 0 0 "[ . 1 . 2]" 1
1089 1 41 VAL QG 1 42 VAL H . . 3.590 3.388 3.252 3.451 . 0 0 "[ . 1 . 2]" 1
1090 1 41 VAL QG 1 43 LYS H . . 3.810 2.993 2.467 3.180 . 0 0 "[ . 1 . 2]" 1
1091 1 41 VAL QG 1 44 SER H . . 3.760 3.065 2.715 3.495 . 0 0 "[ . 1 . 2]" 1
1092 1 41 VAL QG 1 44 SER HA . . 3.150 2.013 1.854 2.208 . 0 0 "[ . 1 . 2]" 1
1093 1 41 VAL QG 1 44 SER QB . . 3.340 2.643 2.445 2.920 . 0 0 "[ . 1 . 2]" 1
1094 1 41 VAL QG 1 47 LEU H . . 4.040 3.954 3.756 4.041 0.001 8 0 "[ . 1 . 2]" 1
1095 1 41 VAL QG 1 47 LEU HB2 . . 4.460 2.625 2.409 2.844 . 0 0 "[ . 1 . 2]" 1
1096 1 41 VAL QG 1 47 LEU HB3 . . 3.830 2.922 2.689 3.096 . 0 0 "[ . 1 . 2]" 1
1097 1 41 VAL QG 1 47 LEU QD . . 3.270 1.770 1.658 2.003 . 0 0 "[ . 1 . 2]" 1
1098 1 41 VAL QG 1 47 LEU HG . . 4.570 3.901 3.710 4.201 . 0 0 "[ . 1 . 2]" 1
1099 1 41 VAL QG 1 48 ALA H . . 5.350 4.764 4.597 4.897 . 0 0 "[ . 1 . 2]" 1
1100 1 41 VAL QG 1 62 TYR QD . . 4.460 3.807 3.620 4.119 . 0 0 "[ . 1 . 2]" 1
1101 1 41 VAL QG 1 69 LEU QD . . 4.400 3.270 3.006 3.471 . 0 0 "[ . 1 . 2]" 1
1102 1 41 VAL QG 1 87 TYR QD . . 3.900 2.481 2.273 2.747 . 0 0 "[ . 1 . 2]" 1
1103 1 41 VAL QG 1 87 TYR QE . . 3.220 2.569 2.255 2.954 . 0 0 "[ . 1 . 2]" 1
1104 1 41 VAL MG1 1 42 VAL H . . 4.380 3.553 3.372 3.634 . 0 0 "[ . 1 . 2]" 1
1105 1 41 VAL MG1 1 62 TYR QE . . 3.740 2.937 2.563 3.220 . 0 0 "[ . 1 . 2]" 1
1106 1 41 VAL MG1 1 87 TYR QE . . 4.490 4.380 4.116 4.487 . 0 0 "[ . 1 . 2]" 1
1107 1 41 VAL MG2 1 42 VAL H . . 4.380 4.280 4.239 4.324 . 0 0 "[ . 1 . 2]" 1
1108 1 41 VAL MG2 1 62 TYR QE . . 3.740 3.088 2.812 3.506 . 0 0 "[ . 1 . 2]" 1
1109 1 41 VAL MG2 1 87 TYR QE . . 4.490 2.589 2.265 2.996 . 0 0 "[ . 1 . 2]" 1
1110 1 42 VAL H 1 42 VAL HB . . 3.260 2.625 2.576 2.677 . 0 0 "[ . 1 . 2]" 1
1111 1 42 VAL H 1 42 VAL MG1 . . 4.000 3.764 3.759 3.768 . 0 0 "[ . 1 . 2]" 1
1112 1 42 VAL H 1 42 VAL MG2 . . 3.220 1.935 1.879 2.012 . 0 0 "[ . 1 . 2]" 1
1113 1 42 VAL H 1 43 LYS H . . 3.130 2.881 2.764 3.008 . 0 0 "[ . 1 . 2]" 1
1114 1 42 VAL H 1 43 LYS HG3 . . 5.500 5.170 4.974 5.291 . 0 0 "[ . 1 . 2]" 1
1115 1 42 VAL HA 1 42 VAL MG1 . . 3.050 2.341 2.245 2.424 . 0 0 "[ . 1 . 2]" 1
1116 1 42 VAL HA 1 42 VAL MG2 . . 3.030 2.420 2.342 2.471 . 0 0 "[ . 1 . 2]" 1
1117 1 42 VAL HA 1 43 LYS HG3 . . 4.800 4.691 4.577 4.791 . 0 0 "[ . 1 . 2]" 1
1118 1 42 VAL HB 1 43 LYS H . . 3.010 2.411 2.241 2.659 . 0 0 "[ . 1 . 2]" 1
1119 1 42 VAL HB 1 43 LYS HB2 . . 4.490 4.042 3.966 4.151 . 0 0 "[ . 1 . 2]" 1
1120 1 42 VAL HB 1 43 LYS HD2 . . 4.630 4.403 4.121 4.597 . 0 0 "[ . 1 . 2]" 1
1121 1 42 VAL HB 1 43 LYS HE2 . . 5.270 4.647 4.320 4.891 . 0 0 "[ . 1 . 2]" 1
1122 1 42 VAL HB 1 43 LYS HG2 . . 4.800 4.728 4.606 4.802 0.002 17 0 "[ . 1 . 2]" 1
1123 1 42 VAL HB 1 43 LYS HG3 . . 4.050 3.033 2.908 3.110 . 0 0 "[ . 1 . 2]" 1
1124 1 42 VAL MG1 1 43 LYS H . . 4.000 3.356 3.157 3.631 . 0 0 "[ . 1 . 2]" 1
1125 1 42 VAL MG1 1 43 LYS HE2 . . 3.520 3.161 2.961 3.352 . 0 0 "[ . 1 . 2]" 1
1126 1 42 VAL MG1 1 43 LYS HG2 . . 3.770 3.473 3.233 3.625 . 0 0 "[ . 1 . 2]" 1
1127 1 42 VAL MG1 1 43 LYS HG3 . . 3.450 2.327 2.026 2.536 . 0 0 "[ . 1 . 2]" 1
1128 1 42 VAL MG2 1 43 LYS H . . 3.780 3.728 3.648 3.769 . 0 0 "[ . 1 . 2]" 1
1129 1 43 LYS H 1 43 LYS HB2 . . 3.440 2.524 2.471 2.561 . 0 0 "[ . 1 . 2]" 1
1130 1 43 LYS H 1 43 LYS HD2 . . 4.310 4.210 4.102 4.308 . 0 0 "[ . 1 . 2]" 1
1131 1 43 LYS H 1 43 LYS HD3 . . 5.210 5.066 4.946 5.176 . 0 0 "[ . 1 . 2]" 1
1132 1 43 LYS H 1 43 LYS HE2 . . 5.330 5.254 5.085 5.330 . 0 0 "[ . 1 . 2]" 1
1133 1 43 LYS H 1 43 LYS HG2 . . 4.190 4.117 4.019 4.183 . 0 0 "[ . 1 . 2]" 1
1134 1 43 LYS H 1 43 LYS HG3 . . 3.440 2.939 2.861 3.028 . 0 0 "[ . 1 . 2]" 1
1135 1 43 LYS H 1 44 SER H . . 4.220 4.002 3.833 4.200 . 0 0 "[ . 1 . 2]" 1
1136 1 43 LYS H 1 44 SER HA . . 5.100 4.758 4.676 4.855 . 0 0 "[ . 1 . 2]" 1
1137 1 43 LYS H 1 46 ALA H . . 5.500 5.367 5.226 5.503 0.003 17 0 "[ . 1 . 2]" 1
1138 1 43 LYS H 1 46 ALA MB . . 4.870 4.470 4.253 4.713 . 0 0 "[ . 1 . 2]" 1
1139 1 43 LYS HB2 1 43 LYS HD3 . . 3.380 2.885 2.731 3.012 . 0 0 "[ . 1 . 2]" 1
1140 1 43 LYS HB2 1 43 LYS HE2 . . 4.830 4.329 4.246 4.399 . 0 0 "[ . 1 . 2]" 1
1141 1 43 LYS HB2 1 43 LYS HE3 . . 5.010 4.611 4.505 4.658 . 0 0 "[ . 1 . 2]" 1
1142 1 43 LYS HB2 1 44 SER H . . 4.610 4.478 4.391 4.520 . 0 0 "[ . 1 . 2]" 1
1143 1 43 LYS HB2 1 46 ALA H . . 4.280 3.561 3.357 3.707 . 0 0 "[ . 1 . 2]" 1
1144 1 43 LYS HB2 1 46 ALA MB . . 3.320 2.294 2.064 2.549 . 0 0 "[ . 1 . 2]" 1
1145 1 43 LYS HB2 1 47 LEU H . . 4.430 3.681 3.513 3.867 . 0 0 "[ . 1 . 2]" 1
1146 1 43 LYS HB3 1 43 LYS HD2 . . 4.100 3.218 3.099 3.356 . 0 0 "[ . 1 . 2]" 1
1147 1 43 LYS HB3 1 43 LYS HD3 . . 4.000 2.567 2.508 2.643 . 0 0 "[ . 1 . 2]" 1
1148 1 43 LYS HB3 1 43 LYS HE2 . . 5.500 4.517 4.459 4.573 . 0 0 "[ . 1 . 2]" 1
1149 1 43 LYS HB3 1 43 LYS HE3 . . 5.500 4.912 4.880 4.939 . 0 0 "[ . 1 . 2]" 1
1150 1 43 LYS HB3 1 44 SER H . . 4.080 3.899 3.616 4.080 . 0 0 "[ . 1 . 2]" 1
1151 1 43 LYS HB3 1 45 GLU H . . 3.740 3.411 3.091 3.705 . 0 0 "[ . 1 . 2]" 1
1152 1 43 LYS HB3 1 46 ALA H . . 3.130 2.308 2.212 2.366 . 0 0 "[ . 1 . 2]" 1
1153 1 43 LYS HB3 1 46 ALA HA . . 4.960 4.429 4.217 4.567 . 0 0 "[ . 1 . 2]" 1
1154 1 43 LYS HB3 1 46 ALA MB . . 3.220 2.068 1.893 2.281 . 0 0 "[ . 1 . 2]" 1
1155 1 43 LYS HE2 1 43 LYS HG2 . . 3.240 2.667 2.535 2.790 . 0 0 "[ . 1 . 2]" 1
1156 1 43 LYS HE2 1 43 LYS HG3 . . 3.090 2.398 2.285 2.502 . 0 0 "[ . 1 . 2]" 1
1157 1 43 LYS HE3 1 46 ALA MB . . 5.220 4.423 4.287 4.615 . 0 0 "[ . 1 . 2]" 1
1158 1 43 LYS HG2 1 44 SER H . . 5.030 4.738 4.546 4.877 . 0 0 "[ . 1 . 2]" 1
1159 1 43 LYS HG2 1 46 ALA H . . 4.510 4.480 4.432 4.514 0.004 17 0 "[ . 1 . 2]" 1
1160 1 43 LYS HG3 1 44 SER H . . 5.500 5.044 4.995 5.106 . 0 0 "[ . 1 . 2]" 1
1161 1 44 SER H 1 44 SER HB2 . . 3.760 3.600 3.575 3.649 . 0 0 "[ . 1 . 2]" 1
1162 1 44 SER H 1 44 SER QB . . 3.180 2.473 2.338 2.610 . 0 0 "[ . 1 . 2]" 1
1163 1 44 SER H 1 44 SER HB3 . . 3.760 2.520 2.370 2.673 . 0 0 "[ . 1 . 2]" 1
1164 1 44 SER H 1 45 GLU H . . 3.710 2.516 2.272 2.651 . 0 0 "[ . 1 . 2]" 1
1165 1 44 SER H 1 46 ALA MB . . 5.500 5.102 4.881 5.389 . 0 0 "[ . 1 . 2]" 1
1166 1 44 SER H 1 85 LEU QD . . 4.980 3.598 3.169 4.260 . 0 0 "[ . 1 . 2]" 1
1167 1 44 SER H 1 85 LEU HG . . 5.500 5.087 4.401 5.503 0.003 8 0 "[ . 1 . 2]" 1
1168 1 44 SER HA 1 46 ALA H . . 4.970 4.583 4.260 4.877 . 0 0 "[ . 1 . 2]" 1
1169 1 44 SER HA 1 47 LEU H . . 3.920 3.651 3.451 3.773 . 0 0 "[ . 1 . 2]" 1
1170 1 44 SER HA 1 47 LEU HB2 . . 4.120 3.634 3.485 3.857 . 0 0 "[ . 1 . 2]" 1
1171 1 44 SER HA 1 47 LEU HB3 . . 4.060 2.752 2.477 3.041 . 0 0 "[ . 1 . 2]" 1
1172 1 44 SER HA 1 47 LEU QD . . 4.100 3.082 2.691 3.314 . 0 0 "[ . 1 . 2]" 1
1173 1 44 SER HA 1 48 ALA H . . 4.630 4.303 4.168 4.514 . 0 0 "[ . 1 . 2]" 1
1174 1 44 SER HA 1 62 TYR QD . . 4.500 3.824 3.536 4.078 . 0 0 "[ . 1 . 2]" 1
1175 1 44 SER HA 1 62 TYR QE . . 4.060 3.850 3.636 4.042 . 0 0 "[ . 1 . 2]" 1
1176 1 44 SER HA 1 85 LEU QD . . 4.460 4.139 3.681 4.453 . 0 0 "[ . 1 . 2]" 1
1177 1 44 SER QB 1 45 GLU H . . 4.460 3.609 3.500 3.755 . 0 0 "[ . 1 . 2]" 1
1178 1 44 SER QB 1 62 TYR QD . . 4.120 2.753 2.543 3.009 . 0 0 "[ . 1 . 2]" 1
1179 1 44 SER QB 1 62 TYR QE . . 4.690 3.013 2.751 3.187 . 0 0 "[ . 1 . 2]" 1
1180 1 44 SER QB 1 85 LEU QD . . 3.350 2.387 1.964 2.701 . 0 0 "[ . 1 . 2]" 1
1181 1 45 GLU H 1 45 GLU QB . . 3.110 2.529 2.260 2.820 . 0 0 "[ . 1 . 2]" 1
1182 1 45 GLU H 1 45 GLU HG2 . . 4.120 2.302 1.900 3.548 . 0 0 "[ . 1 . 2]" 1
1183 1 45 GLU H 1 45 GLU QG . . 3.410 2.207 1.891 2.839 . 0 0 "[ . 1 . 2]" 1
1184 1 45 GLU H 1 45 GLU HG3 . . 4.120 3.359 2.091 3.671 . 0 0 "[ . 1 . 2]" 1
1185 1 45 GLU H 1 46 ALA H . . 3.260 2.452 2.246 2.620 . 0 0 "[ . 1 . 2]" 1
1186 1 45 GLU H 1 46 ALA MB . . 4.310 4.134 3.961 4.284 . 0 0 "[ . 1 . 2]" 1
1187 1 45 GLU H 1 47 LEU H . . 4.560 3.809 3.466 3.932 . 0 0 "[ . 1 . 2]" 1
1188 1 45 GLU HA 1 45 GLU HG2 . . 4.060 3.333 2.274 3.925 . 0 0 "[ . 1 . 2]" 1
1189 1 45 GLU HA 1 45 GLU HG3 . . 4.060 3.782 3.315 3.932 . 0 0 "[ . 1 . 2]" 1
1190 1 45 GLU HA 1 47 LEU H . . 4.560 4.385 4.129 4.493 . 0 0 "[ . 1 . 2]" 1
1191 1 45 GLU HA 1 48 ALA H . . 3.950 3.832 3.655 3.943 . 0 0 "[ . 1 . 2]" 1
1192 1 45 GLU HA 1 48 ALA MB . . 3.470 3.284 3.004 3.469 . 0 0 "[ . 1 . 2]" 1
1193 1 45 GLU HA 1 49 LYS H . . 4.430 4.133 3.939 4.330 . 0 0 "[ . 1 . 2]" 1
1194 1 45 GLU HA 1 62 TYR HB2 . . 4.280 3.491 3.270 3.687 . 0 0 "[ . 1 . 2]" 1
1195 1 45 GLU QB 1 46 ALA H . . 3.680 3.104 2.383 3.509 . 0 0 "[ . 1 . 2]" 1
1196 1 45 GLU QB 1 46 ALA HA . . 5.210 4.176 3.806 4.428 . 0 0 "[ . 1 . 2]" 1
1197 1 45 GLU QB 1 49 LYS H . . 5.340 4.865 4.649 5.085 . 0 0 "[ . 1 . 2]" 1
1198 1 45 GLU HB2 1 46 ALA H . . 4.200 3.354 2.463 3.866 . 0 0 "[ . 1 . 2]" 1
1199 1 45 GLU HB3 1 46 ALA H . . 4.200 3.738 3.172 4.152 . 0 0 "[ . 1 . 2]" 1
1200 1 45 GLU QG 1 46 ALA H . . 4.130 2.617 1.797 4.121 . 0 0 "[ . 1 . 2]" 1
1201 1 46 ALA H 1 46 ALA MB . . 2.780 2.202 2.042 2.278 . 0 0 "[ . 1 . 2]" 1
1202 1 46 ALA H 1 47 LEU H . . 3.170 2.547 2.371 2.686 . 0 0 "[ . 1 . 2]" 1
1203 1 46 ALA HA 1 47 LEU H . . 3.540 3.513 3.457 3.533 . 0 0 "[ . 1 . 2]" 1
1204 1 46 ALA HA 1 48 ALA H . . 4.800 4.511 4.359 4.675 . 0 0 "[ . 1 . 2]" 1
1205 1 46 ALA HA 1 49 LYS H . . 3.600 3.527 3.343 3.601 0.001 17 0 "[ . 1 . 2]" 1
1206 1 46 ALA HA 1 49 LYS QB . . 3.310 2.360 2.088 2.532 . 0 0 "[ . 1 . 2]" 1
1207 1 46 ALA HA 1 49 LYS HD2 . . 4.930 3.550 2.776 4.511 . 0 0 "[ . 1 . 2]" 1
1208 1 46 ALA HA 1 49 LYS QD . . 4.240 3.087 2.601 3.419 . 0 0 "[ . 1 . 2]" 1
1209 1 46 ALA HA 1 49 LYS HD3 . . 4.930 3.660 2.641 4.460 . 0 0 "[ . 1 . 2]" 1
1210 1 46 ALA MB 1 47 LEU H . . 3.020 2.693 2.565 2.976 . 0 0 "[ . 1 . 2]" 1
1211 1 46 ALA MB 1 48 ALA H . . 5.370 4.732 4.597 4.847 . 0 0 "[ . 1 . 2]" 1
1212 1 46 ALA MB 1 50 MET ME . . 5.200 4.943 4.667 5.149 . 0 0 "[ . 1 . 2]" 1
1213 1 46 ALA MB 1 50 MET QG . . 4.880 3.590 3.333 3.799 . 0 0 "[ . 1 . 2]" 1
1214 1 47 LEU H 1 47 LEU HB2 . . 2.970 2.643 2.418 2.841 . 0 0 "[ . 1 . 2]" 1
1215 1 47 LEU H 1 47 LEU HB3 . . 3.030 2.376 2.211 2.592 . 0 0 "[ . 1 . 2]" 1
1216 1 47 LEU H 1 47 LEU MD1 . . 4.380 4.156 3.983 4.255 . 0 0 "[ . 1 . 2]" 1
1217 1 47 LEU H 1 47 LEU MD2 . . 4.380 4.186 4.111 4.236 . 0 0 "[ . 1 . 2]" 1
1218 1 47 LEU H 1 47 LEU HG . . 4.750 4.382 4.216 4.512 . 0 0 "[ . 1 . 2]" 1
1219 1 47 LEU H 1 48 ALA MB . . 4.490 4.401 4.308 4.471 . 0 0 "[ . 1 . 2]" 1
1220 1 47 LEU H 1 49 LYS H . . 4.350 4.231 4.029 4.347 . 0 0 "[ . 1 . 2]" 1
1221 1 47 LEU H 1 49 LYS QB . . 4.900 4.707 4.513 4.807 . 0 0 "[ . 1 . 2]" 1
1222 1 47 LEU HA 1 47 LEU QD . . 3.060 2.198 2.027 2.301 . 0 0 "[ . 1 . 2]" 1
1223 1 47 LEU HA 1 50 MET H . . 4.380 3.992 3.865 4.135 . 0 0 "[ . 1 . 2]" 1
1224 1 47 LEU HA 1 50 MET HB2 . . 4.280 3.264 3.077 3.397 . 0 0 "[ . 1 . 2]" 1
1225 1 47 LEU HA 1 50 MET HB3 . . 4.750 4.656 4.520 4.750 0.000 6 0 "[ . 1 . 2]" 1
1226 1 47 LEU HB2 1 48 ALA H . . 4.280 3.873 3.736 4.005 . 0 0 "[ . 1 . 2]" 1
1227 1 47 LEU HB2 1 62 TYR QE . . 5.100 5.036 4.728 5.102 0.002 18 0 "[ . 1 . 2]" 1
1228 1 47 LEU HB3 1 47 LEU MD1 . . 3.670 3.189 3.173 3.196 . 0 0 "[ . 1 . 2]" 1
1229 1 47 LEU HB3 1 47 LEU QD . . 3.090 2.219 2.075 2.357 . 0 0 "[ . 1 . 2]" 1
1230 1 47 LEU HB3 1 47 LEU MD2 . . 3.670 2.265 2.103 2.428 . 0 0 "[ . 1 . 2]" 1
1231 1 47 LEU HB3 1 48 ALA H . . 3.210 2.494 2.311 2.676 . 0 0 "[ . 1 . 2]" 1
1232 1 47 LEU HB3 1 49 LYS H . . 5.500 4.992 4.784 5.133 . 0 0 "[ . 1 . 2]" 1
1233 1 47 LEU HB3 1 62 TYR QD . . 4.380 3.680 3.419 4.006 . 0 0 "[ . 1 . 2]" 1
1234 1 47 LEU HB3 1 65 LEU MD1 . . 4.630 4.030 3.548 4.522 . 0 0 "[ . 1 . 2]" 1
1235 1 47 LEU HB3 1 65 LEU MD2 . . 4.650 4.157 3.896 4.649 . 0 0 "[ . 1 . 2]" 1
1236 1 47 LEU QD 1 48 ALA H . . 4.040 3.664 3.507 3.856 . 0 0 "[ . 1 . 2]" 1
1237 1 47 LEU QD 1 48 ALA HA . . 4.630 3.969 3.694 4.310 . 0 0 "[ . 1 . 2]" 1
1238 1 47 LEU QD 1 48 ALA MB . . 4.690 4.019 3.878 4.244 . 0 0 "[ . 1 . 2]" 1
1239 1 47 LEU QD 1 50 MET H . . 5.440 4.958 4.778 5.282 . 0 0 "[ . 1 . 2]" 1
1240 1 47 LEU QD 1 50 MET HB3 . . 5.030 4.803 4.581 5.033 0.003 17 0 "[ . 1 . 2]" 1
1241 1 47 LEU QD 1 51 TRP H . . 4.610 4.151 3.782 4.609 . 0 0 "[ . 1 . 2]" 1
1242 1 47 LEU QD 1 51 TRP HB2 . . 4.520 3.565 3.214 4.103 . 0 0 "[ . 1 . 2]" 1
1243 1 47 LEU QD 1 62 TYR QD . . 3.830 2.844 2.489 3.223 . 0 0 "[ . 1 . 2]" 1
1244 1 47 LEU QD 1 62 TYR QE . . 3.350 2.085 1.870 2.460 . 0 0 "[ . 1 . 2]" 1
1245 1 47 LEU QD 1 65 LEU MD1 . . 3.190 2.618 2.341 2.937 . 0 0 "[ . 1 . 2]" 1
1246 1 47 LEU QD 1 65 LEU MD2 . . 3.460 2.241 1.927 2.709 . 0 0 "[ . 1 . 2]" 1
1247 1 47 LEU QD 1 69 LEU QD . . 3.990 2.863 2.730 3.039 . 0 0 "[ . 1 . 2]" 1
1248 1 47 LEU MD1 1 48 ALA H . . 4.800 4.266 4.027 4.586 . 0 0 "[ . 1 . 2]" 1
1249 1 47 LEU MD1 1 48 ALA HA . . 5.500 4.375 3.919 5.015 . 0 0 "[ . 1 . 2]" 1
1250 1 47 LEU MD1 1 65 LEU MD2 . . 4.500 3.610 3.149 4.247 . 0 0 "[ . 1 . 2]" 1
1251 1 47 LEU MD2 1 48 ALA H . . 4.800 4.004 3.797 4.169 . 0 0 "[ . 1 . 2]" 1
1252 1 47 LEU MD2 1 48 ALA HA . . 5.500 4.615 4.432 4.786 . 0 0 "[ . 1 . 2]" 1
1253 1 47 LEU MD2 1 65 LEU MD2 . . 4.500 2.269 1.939 2.769 . 0 0 "[ . 1 . 2]" 1
1254 1 47 LEU HG 1 48 ALA H . . 4.270 3.337 2.938 3.847 . 0 0 "[ . 1 . 2]" 1
1255 1 47 LEU HG 1 65 LEU MD1 . . 3.410 2.276 1.948 2.595 . 0 0 "[ . 1 . 2]" 1
1256 1 47 LEU HG 1 65 LEU MD2 . . 4.860 2.922 2.548 3.315 . 0 0 "[ . 1 . 2]" 1
1257 1 48 ALA H 1 48 ALA MB . . 2.740 2.106 2.061 2.173 . 0 0 "[ . 1 . 2]" 1
1258 1 48 ALA H 1 49 LYS H . . 3.260 2.642 2.526 2.730 . 0 0 "[ . 1 . 2]" 1
1259 1 48 ALA H 1 49 LYS QB . . 4.480 4.265 4.128 4.429 . 0 0 "[ . 1 . 2]" 1
1260 1 48 ALA H 1 50 MET H . . 4.550 4.249 4.123 4.374 . 0 0 "[ . 1 . 2]" 1
1261 1 48 ALA H 1 62 TYR HB2 . . 4.510 4.146 3.849 4.469 . 0 0 "[ . 1 . 2]" 1
1262 1 48 ALA H 1 62 TYR QD . . 4.060 3.927 3.717 4.053 . 0 0 "[ . 1 . 2]" 1
1263 1 48 ALA H 1 65 LEU MD1 . . 4.160 3.678 3.261 3.975 . 0 0 "[ . 1 . 2]" 1
1264 1 48 ALA H 1 65 LEU MD2 . . 5.500 4.582 4.282 4.824 . 0 0 "[ . 1 . 2]" 1
1265 1 48 ALA HA 1 51 TRP H . . 3.700 3.423 3.245 3.666 . 0 0 "[ . 1 . 2]" 1
1266 1 48 ALA HA 1 51 TRP HB3 . . 3.820 2.442 2.326 2.662 . 0 0 "[ . 1 . 2]" 1
1267 1 48 ALA HA 1 52 GLY H . . 5.040 3.797 3.635 3.974 . 0 0 "[ . 1 . 2]" 1
1268 1 48 ALA HA 1 60 MET HG2 . . 4.380 3.721 3.167 3.980 . 0 0 "[ . 1 . 2]" 1
1269 1 48 ALA HA 1 60 MET HG3 . . 4.280 3.144 2.983 3.334 . 0 0 "[ . 1 . 2]" 1
1270 1 48 ALA HA 1 62 TYR QD . . 4.800 4.454 4.134 4.664 . 0 0 "[ . 1 . 2]" 1
1271 1 48 ALA HA 1 65 LEU HB2 . . 4.380 3.320 3.061 3.579 . 0 0 "[ . 1 . 2]" 1
1272 1 48 ALA HA 1 65 LEU MD1 . . 3.220 1.954 1.825 2.083 . 0 0 "[ . 1 . 2]" 1
1273 1 48 ALA HA 1 65 LEU MD2 . . 4.060 3.951 3.704 4.065 0.005 18 0 "[ . 1 . 2]" 1
1274 1 48 ALA MB 1 49 LYS H . . 3.100 2.544 2.450 2.690 . 0 0 "[ . 1 . 2]" 1
1275 1 48 ALA MB 1 49 LYS QB . . 4.610 4.069 3.942 4.215 . 0 0 "[ . 1 . 2]" 1
1276 1 48 ALA MB 1 51 TRP H . . 4.850 4.588 4.426 4.809 . 0 0 "[ . 1 . 2]" 1
1277 1 48 ALA MB 1 52 GLY H . . 4.670 4.287 4.206 4.430 . 0 0 "[ . 1 . 2]" 1
1278 1 48 ALA MB 1 60 MET ME . . 5.220 4.586 4.396 4.751 . 0 0 "[ . 1 . 2]" 1
1279 1 48 ALA MB 1 60 MET HG2 . . 4.060 3.757 3.427 3.948 . 0 0 "[ . 1 . 2]" 1
1280 1 48 ALA MB 1 60 MET HG3 . . 3.640 2.361 2.219 2.504 . 0 0 "[ . 1 . 2]" 1
1281 1 48 ALA MB 1 61 THR H . . 3.740 3.366 3.122 3.501 . 0 0 "[ . 1 . 2]" 1
1282 1 48 ALA MB 1 62 TYR HA . . 3.320 2.265 1.999 2.407 . 0 0 "[ . 1 . 2]" 1
1283 1 48 ALA MB 1 62 TYR HB2 . . 3.560 2.853 2.658 3.051 . 0 0 "[ . 1 . 2]" 1
1284 1 48 ALA MB 1 62 TYR QD . . 3.710 3.040 2.837 3.165 . 0 0 "[ . 1 . 2]" 1
1285 1 48 ALA MB 1 65 LEU H . . 3.940 3.775 3.610 3.939 . 0 0 "[ . 1 . 2]" 1
1286 1 48 ALA MB 1 65 LEU HB2 . . 3.950 2.816 2.547 3.079 . 0 0 "[ . 1 . 2]" 1
1287 1 48 ALA MB 1 65 LEU HB3 . . 4.490 2.901 2.726 3.063 . 0 0 "[ . 1 . 2]" 1
1288 1 48 ALA MB 1 65 LEU MD1 . . 3.540 2.650 2.496 2.846 . 0 0 "[ . 1 . 2]" 1
1289 1 48 ALA MB 1 65 LEU MD2 . . 3.670 3.509 3.261 3.670 0.000 18 0 "[ . 1 . 2]" 1
1290 1 48 ALA MB 1 66 SER H . . 4.980 4.913 4.783 4.982 0.002 18 0 "[ . 1 . 2]" 1
1291 1 49 LYS H 1 49 LYS QB . . 2.730 2.102 2.043 2.231 . 0 0 "[ . 1 . 2]" 1
1292 1 49 LYS H 1 49 LYS HD2 . . 5.500 3.775 2.931 4.594 . 0 0 "[ . 1 . 2]" 1
1293 1 49 LYS H 1 49 LYS QD . . 4.770 3.593 2.888 4.290 . 0 0 "[ . 1 . 2]" 1
1294 1 49 LYS H 1 49 LYS HD3 . . 5.500 4.544 3.592 5.170 . 0 0 "[ . 1 . 2]" 1
1295 1 49 LYS H 1 49 LYS HG2 . . 4.650 4.300 3.937 4.529 . 0 0 "[ . 1 . 2]" 1
1296 1 49 LYS H 1 49 LYS QG . . 3.820 3.234 2.705 3.587 . 0 0 "[ . 1 . 2]" 1
1297 1 49 LYS H 1 49 LYS HG3 . . 4.650 3.351 2.751 3.760 . 0 0 "[ . 1 . 2]" 1
1298 1 49 LYS H 1 50 MET H . . 3.150 2.890 2.822 2.955 . 0 0 "[ . 1 . 2]" 1
1299 1 49 LYS H 1 50 MET HB2 . . 5.030 4.786 4.681 4.857 . 0 0 "[ . 1 . 2]" 1
1300 1 49 LYS H 1 60 MET HG3 . . 4.730 4.513 4.314 4.645 . 0 0 "[ . 1 . 2]" 1
1301 1 49 LYS HA 1 49 LYS HD2 . . 5.480 4.128 3.327 4.549 . 0 0 "[ . 1 . 2]" 1
1302 1 49 LYS HA 1 49 LYS QD . . 4.660 3.767 3.197 3.998 . 0 0 "[ . 1 . 2]" 1
1303 1 49 LYS HA 1 49 LYS HD3 . . 5.480 4.410 4.138 4.564 . 0 0 "[ . 1 . 2]" 1
1304 1 49 LYS HA 1 49 LYS HG2 . . 3.850 2.813 2.298 3.341 . 0 0 "[ . 1 . 2]" 1
1305 1 49 LYS HA 1 49 LYS HG3 . . 3.850 2.325 2.023 2.760 . 0 0 "[ . 1 . 2]" 1
1306 1 49 LYS HA 1 52 GLY H . . 4.130 3.933 3.755 4.084 . 0 0 "[ . 1 . 2]" 1
1307 1 49 LYS HA 1 53 GLN H . . 4.650 4.617 4.559 4.652 0.002 18 0 "[ . 1 . 2]" 1
1308 1 49 LYS HA 1 53 GLN QG . . 4.920 4.602 4.283 4.906 . 0 0 "[ . 1 . 2]" 1
1309 1 49 LYS QB 1 49 LYS QE . . 4.330 3.564 3.458 3.696 . 0 0 "[ . 1 . 2]" 1
1310 1 49 LYS QB 1 50 MET H . . 3.190 2.563 2.480 2.622 . 0 0 "[ . 1 . 2]" 1
1311 1 49 LYS QB 1 50 MET QG . . 4.790 3.650 3.456 3.836 . 0 0 "[ . 1 . 2]" 1
1312 1 49 LYS HB2 1 51 TRP H . . 5.500 5.273 5.057 5.492 . 0 0 "[ . 1 . 2]" 1
1313 1 49 LYS HB3 1 51 TRP H . . 5.500 5.253 5.043 5.498 . 0 0 "[ . 1 . 2]" 1
1314 1 49 LYS HD2 1 50 MET H . . 5.500 5.290 4.873 5.494 . 0 0 "[ . 1 . 2]" 1
1315 1 49 LYS HD3 1 50 MET H . . 5.500 5.233 5.008 5.490 . 0 0 "[ . 1 . 2]" 1
1316 1 49 LYS QG 1 50 MET H . . 4.370 4.339 4.262 4.376 0.006 18 0 "[ . 1 . 2]" 1
1317 1 49 LYS HG2 1 50 MET H . . 5.040 4.898 4.668 5.040 . 0 0 "[ . 1 . 2]" 1
1318 1 49 LYS HG3 1 50 MET H . . 5.040 4.856 4.684 5.019 . 0 0 "[ . 1 . 2]" 1
1319 1 50 MET H 1 50 MET HB2 . . 3.070 2.165 2.118 2.268 . 0 0 "[ . 1 . 2]" 1
1320 1 50 MET H 1 50 MET HB3 . . 3.560 3.473 3.428 3.538 . 0 0 "[ . 1 . 2]" 1
1321 1 50 MET H 1 50 MET ME . . 4.920 4.724 4.500 4.862 . 0 0 "[ . 1 . 2]" 1
1322 1 50 MET H 1 50 MET HG2 . . 3.730 3.247 3.006 3.719 . 0 0 "[ . 1 . 2]" 1
1323 1 50 MET H 1 50 MET QG . . 3.240 2.969 2.608 3.096 . 0 0 "[ . 1 . 2]" 1
1324 1 50 MET H 1 50 MET HG3 . . 3.730 3.501 2.663 3.707 . 0 0 "[ . 1 . 2]" 1
1325 1 50 MET H 1 51 TRP H . . 3.210 2.669 2.578 2.806 . 0 0 "[ . 1 . 2]" 1
1326 1 50 MET H 1 52 GLY H . . 4.470 4.405 4.291 4.470 . 0 0 "[ . 1 . 2]" 1
1327 1 50 MET HA 1 50 MET ME . . 4.140 4.055 3.818 4.141 0.001 17 0 "[ . 1 . 2]" 1
1328 1 50 MET HA 1 50 MET HG2 . . 3.710 2.221 2.129 2.358 . 0 0 "[ . 1 . 2]" 1
1329 1 50 MET HA 1 50 MET QG . . 3.250 2.196 2.110 2.268 . 0 0 "[ . 1 . 2]" 1
1330 1 50 MET HA 1 50 MET HG3 . . 3.710 3.490 2.927 3.575 . 0 0 "[ . 1 . 2]" 1
1331 1 50 MET HA 1 53 GLN H . . 3.800 3.658 3.548 3.750 . 0 0 "[ . 1 . 2]" 1
1332 1 50 MET HA 1 53 GLN HB2 . . 3.810 3.103 2.893 3.309 . 0 0 "[ . 1 . 2]" 1
1333 1 50 MET HA 1 53 GLN HB3 . . 4.750 4.616 4.406 4.754 0.004 18 0 "[ . 1 . 2]" 1
1334 1 50 MET HB2 1 51 TRP H . . 3.500 2.761 2.583 2.882 . 0 0 "[ . 1 . 2]" 1
1335 1 50 MET HB2 1 52 GLY H . . 5.500 5.398 5.148 5.499 . 0 0 "[ . 1 . 2]" 1
1336 1 50 MET HB3 1 51 TRP H . . 3.500 3.149 2.964 3.405 . 0 0 "[ . 1 . 2]" 1
1337 1 50 MET ME 1 50 MET HG2 . . 3.450 3.346 2.492 3.400 . 0 0 "[ . 1 . 2]" 1
1338 1 50 MET ME 1 50 MET HG3 . . 3.450 2.536 2.395 3.401 . 0 0 "[ . 1 . 2]" 1
1339 1 50 MET ME 1 51 TRP H . . 4.730 4.641 4.403 4.732 0.002 12 0 "[ . 1 . 2]" 1
1340 1 50 MET QG 1 51 TRP H . . 5.000 4.319 4.225 4.369 . 0 0 "[ . 1 . 2]" 1
1341 1 51 TRP H 1 51 TRP HB2 . . 3.080 2.601 2.529 2.647 . 0 0 "[ . 1 . 2]" 1
1342 1 51 TRP H 1 51 TRP HB3 . . 3.260 2.463 2.421 2.527 . 0 0 "[ . 1 . 2]" 1
1343 1 51 TRP H 1 51 TRP HD1 . . 5.100 5.017 4.972 5.075 . 0 0 "[ . 1 . 2]" 1
1344 1 51 TRP H 1 51 TRP HE3 . . 4.660 4.591 4.504 4.649 . 0 0 "[ . 1 . 2]" 1
1345 1 51 TRP H 1 52 GLY H . . 3.230 2.903 2.732 3.015 . 0 0 "[ . 1 . 2]" 1
1346 1 51 TRP H 1 53 GLN H . . 4.450 4.349 4.216 4.435 . 0 0 "[ . 1 . 2]" 1
1347 1 51 TRP H 1 54 ARG H . . 5.500 5.113 5.000 5.174 . 0 0 "[ . 1 . 2]" 1
1348 1 51 TRP H 1 54 ARG QD . . 5.330 5.261 5.160 5.332 0.002 6 0 "[ . 1 . 2]" 1
1349 1 51 TRP H 1 54 ARG HG2 . . 4.800 4.451 4.312 4.602 . 0 0 "[ . 1 . 2]" 1
1350 1 51 TRP H 1 60 MET HG2 . . 4.620 4.470 4.309 4.588 . 0 0 "[ . 1 . 2]" 1
1351 1 51 TRP H 1 65 LEU MD1 . . 4.190 3.973 3.562 4.189 . 0 0 "[ . 1 . 2]" 1
1352 1 51 TRP HA 1 51 TRP HE3 . . 3.360 2.008 1.994 2.040 . 0 0 "[ . 1 . 2]" 1
1353 1 51 TRP HA 1 51 TRP HZ3 . . 4.800 4.365 4.326 4.403 . 0 0 "[ . 1 . 2]" 1
1354 1 51 TRP HA 1 54 ARG H . . 3.730 3.540 3.389 3.617 . 0 0 "[ . 1 . 2]" 1
1355 1 51 TRP HA 1 54 ARG QD . . 4.390 3.899 3.747 4.089 . 0 0 "[ . 1 . 2]" 1
1356 1 51 TRP HA 1 54 ARG HG2 . . 3.950 2.316 2.155 2.452 . 0 0 "[ . 1 . 2]" 1
1357 1 51 TRP HA 1 55 LYS H . . 4.900 4.803 4.596 4.901 0.001 19 0 "[ . 1 . 2]" 1
1358 1 51 TRP HA 1 65 LEU MD1 . . 4.630 4.426 4.093 4.620 . 0 0 "[ . 1 . 2]" 1
1359 1 51 TRP HB2 1 65 LEU MD1 . . 3.690 2.548 2.152 2.756 . 0 0 "[ . 1 . 2]" 1
1360 1 51 TRP HB2 1 65 LEU MD2 . . 5.480 4.855 4.417 5.116 . 0 0 "[ . 1 . 2]" 1
1361 1 51 TRP HB3 1 51 TRP HD1 . . 3.790 2.558 2.554 2.562 . 0 0 "[ . 1 . 2]" 1
1362 1 51 TRP HB3 1 52 GLY H . . 3.320 2.379 2.291 2.502 . 0 0 "[ . 1 . 2]" 1
1363 1 51 TRP HB3 1 60 MET ME . . 3.950 3.804 3.670 3.939 . 0 0 "[ . 1 . 2]" 1
1364 1 51 TRP HB3 1 60 MET HG3 . . 4.490 3.507 3.344 3.676 . 0 0 "[ . 1 . 2]" 1
1365 1 51 TRP HB3 1 65 LEU MD1 . . 3.920 2.409 2.052 2.623 . 0 0 "[ . 1 . 2]" 1
1366 1 51 TRP HB3 1 65 LEU MD2 . . 5.500 4.983 4.736 5.122 . 0 0 "[ . 1 . 2]" 1
1367 1 51 TRP HD1 1 52 GLY H . . 4.800 3.870 3.720 4.091 . 0 0 "[ . 1 . 2]" 1
1368 1 51 TRP HD1 1 60 MET ME . . 3.270 2.223 1.959 2.527 . 0 0 "[ . 1 . 2]" 1
1369 1 51 TRP HD1 1 60 MET HG2 . . 3.900 2.757 2.099 3.055 . 0 0 "[ . 1 . 2]" 1
1370 1 51 TRP HD1 1 60 MET HG3 . . 4.280 3.602 3.303 3.857 . 0 0 "[ . 1 . 2]" 1
1371 1 51 TRP HD1 1 65 LEU MD1 . . 3.710 2.119 1.966 2.351 . 0 0 "[ . 1 . 2]" 1
1372 1 51 TRP HD1 1 65 LEU MD2 . . 4.650 4.581 4.414 4.653 0.003 12 0 "[ . 1 . 2]" 1
1373 1 51 TRP HE1 1 55 LYS QD . . 4.060 3.741 3.275 3.990 . 0 0 "[ . 1 . 2]" 1
1374 1 51 TRP HE1 1 55 LYS HG3 . . 4.280 3.403 3.089 3.734 . 0 0 "[ . 1 . 2]" 1
1375 1 51 TRP HE1 1 60 MET ME . . 3.450 2.282 1.943 2.683 . 0 0 "[ . 1 . 2]" 1
1376 1 51 TRP HE1 1 65 LEU HB2 . . 4.970 4.702 4.397 4.970 . 0 0 "[ . 1 . 2]" 1
1377 1 51 TRP HE1 1 65 LEU MD1 . . 4.350 3.773 3.422 4.191 . 0 0 "[ . 1 . 2]" 1
1378 1 51 TRP HE1 1 65 LEU HG . . 4.730 4.251 3.947 4.585 . 0 0 "[ . 1 . 2]" 1
1379 1 51 TRP HE1 1 68 ALA MB . . 4.930 4.341 4.021 4.549 . 0 0 "[ . 1 . 2]" 1
1380 1 51 TRP HE3 1 54 ARG H . . 4.850 4.488 4.304 4.622 . 0 0 "[ . 1 . 2]" 1
1381 1 51 TRP HE3 1 54 ARG HB2 . . 4.630 3.144 2.890 3.407 . 0 0 "[ . 1 . 2]" 1
1382 1 51 TRP HE3 1 54 ARG QD . . 4.800 4.490 4.241 4.777 . 0 0 "[ . 1 . 2]" 1
1383 1 51 TRP HH2 1 55 LYS QD . . 4.290 3.790 3.272 4.256 . 0 0 "[ . 1 . 2]" 1
1384 1 51 TRP HH2 1 55 LYS HE2 . . 4.800 4.070 3.603 4.627 . 0 0 "[ . 1 . 2]" 1
1385 1 51 TRP HH2 1 55 LYS QE . . 4.200 2.996 2.042 3.793 . 0 0 "[ . 1 . 2]" 1
1386 1 51 TRP HH2 1 55 LYS HE3 . . 4.800 3.235 2.054 4.541 . 0 0 "[ . 1 . 2]" 1
1387 1 51 TRP HZ2 1 55 LYS QD . . 4.120 2.533 2.026 2.927 . 0 0 "[ . 1 . 2]" 1
1388 1 51 TRP HZ2 1 55 LYS HE2 . . 4.630 4.352 3.974 4.631 0.001 7 0 "[ . 1 . 2]" 1
1389 1 51 TRP HZ2 1 55 LYS QE . . 4.060 3.298 2.678 3.944 . 0 0 "[ . 1 . 2]" 1
1390 1 51 TRP HZ2 1 55 LYS HE3 . . 4.630 3.469 2.718 4.305 . 0 0 "[ . 1 . 2]" 1
1391 1 51 TRP HZ3 1 54 ARG HG2 . . 4.630 4.423 4.185 4.625 . 0 0 "[ . 1 . 2]" 1
1392 1 52 GLY H 1 52 GLY HA3 . . 2.950 2.302 2.298 2.308 . 0 0 "[ . 1 . 2]" 1
1393 1 52 GLY H 1 53 GLN H . . 3.290 2.936 2.863 2.996 . 0 0 "[ . 1 . 2]" 1
1394 1 52 GLY H 1 54 ARG H . . 4.430 4.256 4.162 4.436 0.006 12 0 "[ . 1 . 2]" 1
1395 1 52 GLY H 1 60 MET HA . . 5.500 5.485 5.408 5.513 0.013 12 0 "[ . 1 . 2]" 1
1396 1 52 GLY H 1 60 MET HB2 . . 3.940 3.734 3.598 3.861 . 0 0 "[ . 1 . 2]" 1
1397 1 52 GLY H 1 60 MET HB3 . . 3.940 3.162 2.560 3.423 . 0 0 "[ . 1 . 2]" 1
1398 1 52 GLY H 1 60 MET ME . . 4.630 3.677 3.555 3.891 . 0 0 "[ . 1 . 2]" 1
1399 1 52 GLY H 1 60 MET HG2 . . 3.720 2.033 1.928 2.464 . 0 0 "[ . 1 . 2]" 1
1400 1 52 GLY H 1 60 MET HG3 . . 3.980 3.036 2.803 3.588 . 0 0 "[ . 1 . 2]" 1
1401 1 52 GLY H 1 65 LEU MD1 . . 4.610 4.217 3.968 4.420 . 0 0 "[ . 1 . 2]" 1
1402 1 52 GLY HA2 1 54 ARG H . . 4.730 4.050 3.938 4.279 . 0 0 "[ . 1 . 2]" 1
1403 1 52 GLY HA2 1 55 LYS H . . 4.350 3.217 3.139 3.355 . 0 0 "[ . 1 . 2]" 1
1404 1 52 GLY HA2 1 55 LYS HB2 . . 4.630 2.905 2.693 3.056 . 0 0 "[ . 1 . 2]" 1
1405 1 52 GLY HA2 1 55 LYS HB3 . . 4.800 4.613 4.367 4.782 . 0 0 "[ . 1 . 2]" 1
1406 1 52 GLY HA2 1 56 LYS H . . 4.730 4.521 4.207 4.675 . 0 0 "[ . 1 . 2]" 1
1407 1 52 GLY HA2 1 57 ASN H . . 3.920 3.308 2.987 3.681 . 0 0 "[ . 1 . 2]" 1
1408 1 52 GLY HA2 1 57 ASN HB2 . . 4.680 3.939 3.434 4.264 . 0 0 "[ . 1 . 2]" 1
1409 1 52 GLY HA2 1 57 ASN QB . . 4.020 2.736 2.226 3.199 . 0 0 "[ . 1 . 2]" 1
1410 1 52 GLY HA2 1 57 ASN HB3 . . 4.680 2.809 2.242 3.315 . 0 0 "[ . 1 . 2]" 1
1411 1 52 GLY HA2 1 60 MET H . . 4.930 4.809 4.228 4.935 0.005 18 0 "[ . 1 . 2]" 1
1412 1 52 GLY HA2 1 60 MET HB2 . . 4.200 2.540 2.412 2.754 . 0 0 "[ . 1 . 2]" 1
1413 1 52 GLY HA2 1 60 MET HB3 . . 4.200 3.244 3.007 3.464 . 0 0 "[ . 1 . 2]" 1
1414 1 52 GLY HA2 1 60 MET ME . . 3.850 2.515 2.204 2.992 . 0 0 "[ . 1 . 2]" 1
1415 1 52 GLY HA2 1 60 MET HG2 . . 4.800 2.544 2.287 3.400 . 0 0 "[ . 1 . 2]" 1
1416 1 52 GLY HA2 1 60 MET HG3 . . 5.040 4.132 3.897 4.781 . 0 0 "[ . 1 . 2]" 1
1417 1 52 GLY HA3 1 53 GLN H . . 3.140 2.756 2.694 2.828 . 0 0 "[ . 1 . 2]" 1
1418 1 52 GLY HA3 1 55 LYS H . . 4.630 4.424 4.313 4.553 . 0 0 "[ . 1 . 2]" 1
1419 1 52 GLY HA3 1 55 LYS HB2 . . 4.800 4.545 4.355 4.715 . 0 0 "[ . 1 . 2]" 1
1420 1 52 GLY HA3 1 57 ASN H . . 4.270 3.809 3.477 4.176 . 0 0 "[ . 1 . 2]" 1
1421 1 52 GLY HA3 1 57 ASN QB . . 4.400 3.268 2.968 3.667 . 0 0 "[ . 1 . 2]" 1
1422 1 52 GLY HA3 1 60 MET H . . 4.090 3.819 3.207 4.070 . 0 0 "[ . 1 . 2]" 1
1423 1 52 GLY HA3 1 60 MET HA . . 4.800 4.608 4.505 4.778 . 0 0 "[ . 1 . 2]" 1
1424 1 52 GLY HA3 1 60 MET HB2 . . 4.200 2.383 2.224 2.746 . 0 0 "[ . 1 . 2]" 1
1425 1 52 GLY HA3 1 60 MET HB3 . . 4.200 2.066 1.993 2.240 . 0 0 "[ . 1 . 2]" 1
1426 1 52 GLY HA3 1 60 MET ME . . 4.120 3.558 3.328 3.877 . 0 0 "[ . 1 . 2]" 1
1427 1 53 GLN H 1 53 GLN HB2 . . 2.980 2.415 2.286 2.557 . 0 0 "[ . 1 . 2]" 1
1428 1 53 GLN H 1 53 GLN HB3 . . 3.710 3.577 3.546 3.595 . 0 0 "[ . 1 . 2]" 1
1429 1 53 GLN H 1 53 GLN HG2 . . 3.550 2.722 2.173 3.405 . 0 0 "[ . 1 . 2]" 1
1430 1 53 GLN H 1 53 GLN QG . . 3.040 2.448 2.135 2.696 . 0 0 "[ . 1 . 2]" 1
1431 1 53 GLN H 1 53 GLN HG3 . . 3.550 2.994 2.451 3.386 . 0 0 "[ . 1 . 2]" 1
1432 1 53 GLN H 1 54 ARG H . . 3.070 2.775 2.662 2.845 . 0 0 "[ . 1 . 2]" 1
1433 1 53 GLN H 1 54 ARG HG2 . . 4.220 3.973 3.822 4.070 . 0 0 "[ . 1 . 2]" 1
1434 1 53 GLN H 1 55 LYS H . . 4.510 4.234 4.114 4.358 . 0 0 "[ . 1 . 2]" 1
1435 1 53 GLN H 1 56 LYS H . . 4.970 4.858 4.695 4.980 0.010 12 0 "[ . 1 . 2]" 1
1436 1 53 GLN H 1 60 MET QB . . 4.620 4.214 4.125 4.482 . 0 0 "[ . 1 . 2]" 1
1437 1 53 GLN HA 1 53 GLN HG2 . . 3.770 2.390 2.200 2.631 . 0 0 "[ . 1 . 2]" 1
1438 1 53 GLN HA 1 53 GLN QG . . 3.290 2.354 2.176 2.581 . 0 0 "[ . 1 . 2]" 1
1439 1 53 GLN HA 1 53 GLN HG3 . . 3.770 3.555 3.123 3.761 . 0 0 "[ . 1 . 2]" 1
1440 1 53 GLN HA 1 56 LYS H . . 3.580 3.457 3.319 3.579 . 0 0 "[ . 1 . 2]" 1
1441 1 53 GLN HA 1 56 LYS HA . . 4.490 3.363 3.197 3.516 . 0 0 "[ . 1 . 2]" 1
1442 1 53 GLN HA 1 57 ASN H . . 4.590 4.139 3.893 4.590 . 0 0 "[ . 1 . 2]" 1
1443 1 53 GLN HB2 1 54 ARG H . . 3.500 2.841 2.659 2.952 . 0 0 "[ . 1 . 2]" 1
1444 1 53 GLN HB3 1 54 ARG H . . 3.780 3.661 3.405 3.767 . 0 0 "[ . 1 . 2]" 1
1445 1 53 GLN QG 1 54 ARG H . . 4.340 4.226 4.046 4.349 0.009 17 0 "[ . 1 . 2]" 1
1446 1 53 GLN HG2 1 54 ARG H . . 5.030 4.718 4.420 5.030 . 0 0 "[ . 1 . 2]" 1
1447 1 53 GLN HG3 1 54 ARG H . . 5.030 4.795 4.576 5.021 . 0 0 "[ . 1 . 2]" 1
1448 1 54 ARG H 1 54 ARG HB2 . . 3.070 2.774 2.734 2.832 . 0 0 "[ . 1 . 2]" 1
1449 1 54 ARG H 1 54 ARG HB3 . . 3.650 3.579 3.556 3.598 . 0 0 "[ . 1 . 2]" 1
1450 1 54 ARG H 1 54 ARG QD . . 4.100 2.673 2.314 2.865 . 0 0 "[ . 1 . 2]" 1
1451 1 54 ARG H 1 54 ARG HG2 . . 4.060 1.910 1.884 1.968 . 0 0 "[ . 1 . 2]" 1
1452 1 54 ARG H 1 54 ARG HG3 . . 3.710 3.483 3.447 3.534 . 0 0 "[ . 1 . 2]" 1
1453 1 54 ARG H 1 55 LYS HA . . 5.500 5.185 5.111 5.259 . 0 0 "[ . 1 . 2]" 1
1454 1 54 ARG H 1 55 LYS HB2 . . 5.100 4.766 4.633 4.916 . 0 0 "[ . 1 . 2]" 1
1455 1 54 ARG H 1 57 ASN H . . 5.500 5.101 4.804 5.403 . 0 0 "[ . 1 . 2]" 1
1456 1 54 ARG HA 1 54 ARG QD . . 3.110 2.026 1.976 2.249 . 0 0 "[ . 1 . 2]" 1
1457 1 54 ARG HA 1 54 ARG HG2 . . 4.120 3.436 3.364 3.520 . 0 0 "[ . 1 . 2]" 1
1458 1 54 ARG HA 1 54 ARG HG3 . . 4.000 3.843 3.822 3.856 . 0 0 "[ . 1 . 2]" 1
1459 1 54 ARG HB2 1 55 LYS H . . 3.420 2.731 2.589 2.817 . 0 0 "[ . 1 . 2]" 1
1460 1 54 ARG HB2 1 55 LYS HA . . 4.630 4.210 4.115 4.287 . 0 0 "[ . 1 . 2]" 1
1461 1 54 ARG HB3 1 55 LYS H . . 4.120 3.979 3.865 4.056 . 0 0 "[ . 1 . 2]" 1
1462 1 54 ARG HB3 1 55 LYS HG2 . . 4.800 4.246 4.073 4.393 . 0 0 "[ . 1 . 2]" 1
1463 1 54 ARG QD 1 55 LYS H . . 4.560 4.453 4.317 4.555 . 0 0 "[ . 1 . 2]" 1
1464 1 54 ARG HG3 1 55 LYS H . . 4.880 4.841 4.744 4.882 0.002 18 0 "[ . 1 . 2]" 1
1465 1 55 LYS H 1 55 LYS HB2 . . 3.100 2.444 2.382 2.502 . 0 0 "[ . 1 . 2]" 1
1466 1 55 LYS H 1 55 LYS HB3 . . 3.850 3.644 3.604 3.677 . 0 0 "[ . 1 . 2]" 1
1467 1 55 LYS H 1 55 LYS HD2 . . 5.500 5.249 5.098 5.323 . 0 0 "[ . 1 . 2]" 1
1468 1 55 LYS H 1 55 LYS HD3 . . 5.500 4.974 4.867 5.053 . 0 0 "[ . 1 . 2]" 1
1469 1 55 LYS H 1 55 LYS QE . . 5.340 4.622 4.354 4.787 . 0 0 "[ . 1 . 2]" 1
1470 1 55 LYS H 1 55 LYS HG2 . . 3.410 2.961 2.817 3.055 . 0 0 "[ . 1 . 2]" 1
1471 1 55 LYS H 1 55 LYS HG3 . . 3.830 3.299 3.104 3.415 . 0 0 "[ . 1 . 2]" 1
1472 1 55 LYS H 1 56 LYS HA . . 4.730 4.553 4.485 4.619 . 0 0 "[ . 1 . 2]" 1
1473 1 55 LYS H 1 56 LYS QB . . 5.330 4.963 4.830 5.188 . 0 0 "[ . 1 . 2]" 1
1474 1 55 LYS H 1 57 ASN H . . 4.220 3.580 3.342 3.953 . 0 0 "[ . 1 . 2]" 1
1475 1 55 LYS H 1 57 ASN HB2 . . 5.500 5.077 4.704 5.276 . 0 0 "[ . 1 . 2]" 1
1476 1 55 LYS H 1 57 ASN HB3 . . 5.500 4.848 4.411 5.200 . 0 0 "[ . 1 . 2]" 1
1477 1 55 LYS H 1 60 MET ME . . 5.210 4.596 4.335 4.989 . 0 0 "[ . 1 . 2]" 1
1478 1 55 LYS HA 1 55 LYS QD . . 3.650 3.357 3.064 3.602 . 0 0 "[ . 1 . 2]" 1
1479 1 55 LYS HA 1 55 LYS HE2 . . 4.380 3.198 2.574 3.969 . 0 0 "[ . 1 . 2]" 1
1480 1 55 LYS HA 1 55 LYS HE3 . . 4.380 4.115 3.786 4.376 . 0 0 "[ . 1 . 2]" 1
1481 1 55 LYS HA 1 55 LYS HG2 . . 3.900 2.460 2.431 2.501 . 0 0 "[ . 1 . 2]" 1
1482 1 55 LYS HA 1 56 LYS QB . . 4.340 3.907 3.779 4.308 . 0 0 "[ . 1 . 2]" 1
1483 1 55 LYS HB2 1 55 LYS QE . . 4.970 4.151 3.958 4.257 . 0 0 "[ . 1 . 2]" 1
1484 1 55 LYS HB2 1 56 LYS H . . 4.020 3.701 3.482 3.903 . 0 0 "[ . 1 . 2]" 1
1485 1 55 LYS HB2 1 57 ASN H . . 4.160 3.199 3.010 3.487 . 0 0 "[ . 1 . 2]" 1
1486 1 55 LYS HB2 1 57 ASN HB2 . . 4.560 3.174 2.792 3.402 . 0 0 "[ . 1 . 2]" 1
1487 1 55 LYS HB2 1 57 ASN HB3 . . 4.560 3.455 3.146 3.849 . 0 0 "[ . 1 . 2]" 1
1488 1 55 LYS HB2 1 60 MET ME . . 4.490 3.295 2.892 3.576 . 0 0 "[ . 1 . 2]" 1
1489 1 55 LYS HB3 1 55 LYS QD . . 3.670 2.007 1.952 2.062 . 0 0 "[ . 1 . 2]" 1
1490 1 55 LYS HB3 1 55 LYS HE2 . . 4.280 3.638 3.015 4.058 . 0 0 "[ . 1 . 2]" 1
1491 1 55 LYS HB3 1 55 LYS QE . . 3.710 3.406 2.947 3.658 . 0 0 "[ . 1 . 2]" 1
1492 1 55 LYS HB3 1 55 LYS HE3 . . 4.280 4.174 4.064 4.303 0.023 19 0 "[ . 1 . 2]" 1
1493 1 55 LYS HB3 1 56 LYS H . . 4.470 4.314 4.189 4.416 . 0 0 "[ . 1 . 2]" 1
1494 1 55 LYS HB3 1 57 ASN H . . 4.510 4.034 3.648 4.389 . 0 0 "[ . 1 . 2]" 1
1495 1 55 LYS HB3 1 57 ASN HB2 . . 4.800 3.431 3.036 3.703 . 0 0 "[ . 1 . 2]" 1
1496 1 55 LYS HB3 1 57 ASN QB . . 4.200 3.313 2.965 3.503 . 0 0 "[ . 1 . 2]" 1
1497 1 55 LYS HB3 1 57 ASN HB3 . . 4.800 4.431 4.089 4.784 . 0 0 "[ . 1 . 2]" 1
1498 1 55 LYS HB3 1 60 MET ME . . 4.440 4.245 3.847 4.355 . 0 0 "[ . 1 . 2]" 1
1499 1 55 LYS QD 1 60 MET ME . . 4.370 3.906 3.564 4.122 . 0 0 "[ . 1 . 2]" 1
1500 1 55 LYS HD2 1 60 MET ME . . 5.240 4.268 3.868 4.692 . 0 0 "[ . 1 . 2]" 1
1501 1 55 LYS HD3 1 60 MET ME . . 5.240 4.627 4.049 5.153 . 0 0 "[ . 1 . 2]" 1
1502 1 55 LYS HE2 1 55 LYS HG3 . . 4.120 3.644 3.404 3.954 . 0 0 "[ . 1 . 2]" 1
1503 1 55 LYS HE3 1 55 LYS HG3 . . 4.120 3.480 2.863 4.105 . 0 0 "[ . 1 . 2]" 1
1504 1 55 LYS HG2 1 56 LYS H . . 4.730 4.718 4.692 4.731 0.001 18 0 "[ . 1 . 2]" 1
1505 1 55 LYS HG3 1 56 LYS H . . 5.400 5.310 5.080 5.403 0.003 12 0 "[ . 1 . 2]" 1
1506 1 55 LYS HG3 1 60 MET ME . . 4.120 3.349 3.055 3.682 . 0 0 "[ . 1 . 2]" 1
1507 1 56 LYS H 1 56 LYS HA . . 2.630 2.282 2.274 2.309 . 0 0 "[ . 1 . 2]" 1
1508 1 56 LYS H 1 56 LYS QB . . 3.480 3.044 2.748 3.277 . 0 0 "[ . 1 . 2]" 1
1509 1 56 LYS H 1 56 LYS QG . . 3.680 3.228 2.605 3.676 . 0 0 "[ . 1 . 2]" 1
1510 1 56 LYS H 1 57 ASN H . . 3.060 2.789 2.592 3.020 . 0 0 "[ . 1 . 2]" 1
1511 1 56 LYS H 1 57 ASN QB . . 4.970 4.514 4.382 4.645 . 0 0 "[ . 1 . 2]" 1
1512 1 56 LYS HA 1 56 LYS HD2 . . 4.650 4.006 2.842 4.577 . 0 0 "[ . 1 . 2]" 1
1513 1 56 LYS HA 1 56 LYS QD . . 3.950 3.405 2.290 3.971 0.021 12 0 "[ . 1 . 2]" 1
1514 1 56 LYS HA 1 56 LYS HD3 . . 4.650 3.822 2.310 4.586 . 0 0 "[ . 1 . 2]" 1
1515 1 56 LYS HA 1 56 LYS QG . . 3.300 2.239 2.008 3.339 0.039 12 0 "[ . 1 . 2]" 1
1516 1 56 LYS HA 1 57 ASN H . . 3.050 2.874 2.688 3.004 . 0 0 "[ . 1 . 2]" 1
1517 1 56 LYS HB2 1 57 ASN H . . 4.510 4.285 4.084 4.543 0.033 12 0 "[ . 1 . 2]" 1
1518 1 56 LYS HB3 1 57 ASN H . . 4.510 4.282 4.137 4.544 0.034 12 0 "[ . 1 . 2]" 1
1519 1 56 LYS QE 1 56 LYS QG . . 3.160 2.074 1.955 2.243 . 0 0 "[ . 1 . 2]" 1
1520 1 56 LYS QG 1 57 ASN H . . 4.860 4.584 3.616 4.863 0.003 8 0 "[ . 1 . 2]" 1
1521 1 57 ASN H 1 57 ASN HB2 . . 3.420 2.788 2.437 2.972 . 0 0 "[ . 1 . 2]" 1
1522 1 57 ASN H 1 57 ASN QB . . 2.980 2.323 2.228 2.416 . 0 0 "[ . 1 . 2]" 1
1523 1 57 ASN H 1 57 ASN HB3 . . 3.420 2.504 2.375 2.737 . 0 0 "[ . 1 . 2]" 1
1524 1 57 ASN QB 1 59 ARG H . . 4.760 3.560 2.931 4.051 . 0 0 "[ . 1 . 2]" 1
1525 1 57 ASN QB 1 60 MET H . . 4.340 3.616 3.034 4.012 . 0 0 "[ . 1 . 2]" 1
1526 1 57 ASN QB 1 60 MET ME . . 3.330 2.813 2.225 3.197 . 0 0 "[ . 1 . 2]" 1
1527 1 57 ASN HB2 1 60 MET ME . . 3.820 3.459 3.057 3.763 . 0 0 "[ . 1 . 2]" 1
1528 1 57 ASN HB3 1 60 MET ME . . 3.820 3.013 2.286 3.517 . 0 0 "[ . 1 . 2]" 1
1529 1 57 ASN QD 1 60 MET ME . . 3.500 2.246 1.861 3.293 . 0 0 "[ . 1 . 2]" 1
1530 1 57 ASN HD21 1 60 MET ME . . 4.000 2.289 1.882 3.524 . 0 0 "[ . 1 . 2]" 1
1531 1 57 ASN HD22 1 60 MET ME . . 4.000 3.390 2.936 3.953 . 0 0 "[ . 1 . 2]" 1
1532 1 58 ASP H 1 59 ARG H . . 3.810 2.776 2.213 3.122 . 0 0 "[ . 1 . 2]" 1
1533 1 58 ASP HA 1 59 ARG H . . 3.490 3.429 3.041 3.568 0.078 14 0 "[ . 1 . 2]" 1
1534 1 58 ASP HB2 1 59 ARG H . . 4.280 3.633 2.806 4.256 . 0 0 "[ . 1 . 2]" 1
1535 1 58 ASP HB3 1 59 ARG H . . 4.280 3.425 2.379 4.172 . 0 0 "[ . 1 . 2]" 1
1536 1 59 ARG H 1 59 ARG QB . . 3.030 2.513 2.237 3.031 0.001 14 0 "[ . 1 . 2]" 1
1537 1 59 ARG H 1 59 ARG HD2 . . 5.500 4.877 3.708 5.390 . 0 0 "[ . 1 . 2]" 1
1538 1 59 ARG H 1 59 ARG HD3 . . 5.500 4.692 2.855 5.417 . 0 0 "[ . 1 . 2]" 1
1539 1 59 ARG H 1 59 ARG QG . . 3.390 2.801 1.949 3.382 . 0 0 "[ . 1 . 2]" 1
1540 1 59 ARG H 1 60 MET H . . 3.100 2.745 2.327 2.993 . 0 0 "[ . 1 . 2]" 1
1541 1 59 ARG H 1 60 MET HB2 . . 4.980 4.404 3.873 4.533 . 0 0 "[ . 1 . 2]" 1
1542 1 59 ARG H 1 60 MET QB . . 4.170 4.095 3.661 4.179 0.009 17 0 "[ . 1 . 2]" 1
1543 1 59 ARG H 1 60 MET HB3 . . 4.980 4.875 4.508 4.980 . 0 0 "[ . 1 . 2]" 1
1544 1 59 ARG HA 1 59 ARG HD2 . . 5.460 4.398 3.268 5.279 . 0 0 "[ . 1 . 2]" 1
1545 1 59 ARG HA 1 59 ARG QD . . 4.780 3.631 2.162 4.280 . 0 0 "[ . 1 . 2]" 1
1546 1 59 ARG HA 1 59 ARG HD3 . . 5.460 3.994 2.194 5.302 . 0 0 "[ . 1 . 2]" 1
1547 1 59 ARG HA 1 59 ARG HG2 . . 3.850 2.822 2.187 3.795 . 0 0 "[ . 1 . 2]" 1
1548 1 59 ARG HA 1 59 ARG HG3 . . 3.850 3.410 2.241 3.817 . 0 0 "[ . 1 . 2]" 1
1549 1 59 ARG HA 1 60 MET H . . 3.320 2.906 2.796 3.031 . 0 0 "[ . 1 . 2]" 1
1550 1 59 ARG QB 1 60 MET H . . 4.030 3.842 3.690 4.057 0.027 14 0 "[ . 1 . 2]" 1
1551 1 60 MET H 1 60 MET HB2 . . 3.070 2.723 2.598 2.876 . 0 0 "[ . 1 . 2]" 1
1552 1 60 MET H 1 60 MET HB3 . . 3.070 2.439 2.375 2.516 . 0 0 "[ . 1 . 2]" 1
1553 1 60 MET H 1 60 MET ME . . 5.490 4.542 4.169 4.906 . 0 0 "[ . 1 . 2]" 1
1554 1 60 MET H 1 60 MET HG2 . . 4.650 4.646 4.625 4.675 0.025 18 0 "[ . 1 . 2]" 1
1555 1 60 MET H 1 60 MET HG3 . . 4.620 4.385 4.316 4.466 . 0 0 "[ . 1 . 2]" 1
1556 1 60 MET H 1 61 THR H . . 4.750 4.558 4.507 4.607 . 0 0 "[ . 1 . 2]" 1
1557 1 60 MET HA 1 60 MET ME . . 3.430 3.015 2.744 3.276 . 0 0 "[ . 1 . 2]" 1
1558 1 60 MET HA 1 61 THR H . . 2.650 2.184 2.164 2.237 . 0 0 "[ . 1 . 2]" 1
1559 1 60 MET HA 1 61 THR MG . . 4.120 3.642 3.058 3.898 . 0 0 "[ . 1 . 2]" 1
1560 1 60 MET HA 1 64 LYS H . . 5.400 5.343 5.175 5.412 0.012 18 0 "[ . 1 . 2]" 1
1561 1 60 MET HA 1 64 LYS QB . . 4.040 3.490 3.265 3.659 . 0 0 "[ . 1 . 2]" 1
1562 1 60 MET HA 1 64 LYS QD . . 3.650 2.882 2.495 3.276 . 0 0 "[ . 1 . 2]" 1
1563 1 60 MET HA 1 64 LYS HE2 . . 5.500 4.848 2.072 5.492 . 0 0 "[ . 1 . 2]" 1
1564 1 60 MET HA 1 64 LYS HE3 . . 5.500 4.504 3.694 5.501 0.001 19 0 "[ . 1 . 2]" 1
1565 1 60 MET QB 1 61 THR H . . 4.130 3.662 3.550 3.711 . 0 0 "[ . 1 . 2]" 1
1566 1 60 MET ME 1 60 MET HG2 . . 3.400 2.267 2.146 2.425 . 0 0 "[ . 1 . 2]" 1
1567 1 60 MET ME 1 60 MET HG3 . . 3.670 3.356 3.317 3.394 . 0 0 "[ . 1 . 2]" 1
1568 1 60 MET ME 1 61 THR H . . 4.060 3.908 3.604 4.058 . 0 0 "[ . 1 . 2]" 1
1569 1 60 MET ME 1 65 LEU HA . . 4.120 3.448 3.106 3.731 . 0 0 "[ . 1 . 2]" 1
1570 1 60 MET ME 1 65 LEU HB2 . . 4.740 3.720 3.196 4.089 . 0 0 "[ . 1 . 2]" 1
1571 1 60 MET ME 1 65 LEU HB3 . . 5.500 5.115 4.621 5.468 . 0 0 "[ . 1 . 2]" 1
1572 1 60 MET ME 1 65 LEU MD1 . . 4.280 3.677 3.448 3.882 . 0 0 "[ . 1 . 2]" 1
1573 1 60 MET ME 1 65 LEU MD2 . . 5.500 5.341 5.115 5.501 0.001 17 0 "[ . 1 . 2]" 1
1574 1 60 MET HG2 1 61 THR H . . 4.390 4.267 4.008 4.389 . 0 0 "[ . 1 . 2]" 1
1575 1 60 MET HG2 1 65 LEU HB2 . . 4.800 4.221 3.359 4.552 . 0 0 "[ . 1 . 2]" 1
1576 1 60 MET HG2 1 65 LEU MD1 . . 4.490 3.718 2.737 4.076 . 0 0 "[ . 1 . 2]" 1
1577 1 60 MET HG3 1 61 THR H . . 3.590 3.044 2.705 3.356 . 0 0 "[ . 1 . 2]" 1
1578 1 60 MET HG3 1 65 LEU HB2 . . 4.800 3.716 3.087 4.089 . 0 0 "[ . 1 . 2]" 1
1579 1 60 MET HG3 1 65 LEU MD1 . . 4.380 3.696 3.243 4.086 . 0 0 "[ . 1 . 2]" 1
1580 1 61 THR H 1 61 THR MG . . 3.330 2.418 2.166 2.739 . 0 0 "[ . 1 . 2]" 1
1581 1 61 THR H 1 62 TYR HA . . 5.190 4.977 4.853 5.104 . 0 0 "[ . 1 . 2]" 1
1582 1 61 THR H 1 64 LYS H . . 3.680 3.461 3.297 3.610 . 0 0 "[ . 1 . 2]" 1
1583 1 61 THR H 1 64 LYS HA . . 5.500 5.355 5.166 5.501 0.001 15 0 "[ . 1 . 2]" 1
1584 1 61 THR H 1 64 LYS QB . . 2.830 2.542 2.298 2.738 . 0 0 "[ . 1 . 2]" 1
1585 1 61 THR H 1 64 LYS QD . . 3.240 2.855 2.059 3.214 . 0 0 "[ . 1 . 2]" 1
1586 1 61 THR H 1 64 LYS HE2 . . 5.500 4.746 3.196 5.485 . 0 0 "[ . 1 . 2]" 1
1587 1 61 THR H 1 64 LYS HE3 . . 5.500 4.649 3.962 5.244 . 0 0 "[ . 1 . 2]" 1
1588 1 61 THR H 1 64 LYS QG . . 4.080 3.708 3.400 4.004 . 0 0 "[ . 1 . 2]" 1
1589 1 61 THR H 1 65 LEU H . . 3.980 3.316 3.157 3.502 . 0 0 "[ . 1 . 2]" 1
1590 1 61 THR H 1 65 LEU HB2 . . 5.050 4.061 3.677 4.372 . 0 0 "[ . 1 . 2]" 1
1591 1 61 THR MG 1 64 LYS H . . 4.630 2.191 1.841 4.013 . 0 0 "[ . 1 . 2]" 1
1592 1 61 THR MG 1 64 LYS QB . . 3.970 2.794 2.463 3.968 . 0 0 "[ . 1 . 2]" 1
1593 1 61 THR MG 1 64 LYS QD . . 4.080 2.451 1.915 3.123 . 0 0 "[ . 1 . 2]" 1
1594 1 61 THR MG 1 64 LYS QE . . 4.300 2.505 2.009 3.787 . 0 0 "[ . 1 . 2]" 1
1595 1 62 TYR HA 1 62 TYR QD . . 3.400 2.073 1.998 2.262 . 0 0 "[ . 1 . 2]" 1
1596 1 62 TYR HA 1 62 TYR QE . . 4.630 4.239 4.186 4.354 . 0 0 "[ . 1 . 2]" 1
1597 1 62 TYR HA 1 64 LYS H . . 4.510 4.323 4.142 4.469 . 0 0 "[ . 1 . 2]" 1
1598 1 62 TYR HA 1 65 LEU H . . 3.570 3.356 3.272 3.414 . 0 0 "[ . 1 . 2]" 1
1599 1 62 TYR HA 1 65 LEU HB2 . . 4.000 3.315 3.182 3.456 . 0 0 "[ . 1 . 2]" 1
1600 1 62 TYR HA 1 65 LEU HB3 . . 3.540 2.088 2.002 2.295 . 0 0 "[ . 1 . 2]" 1
1601 1 62 TYR HA 1 65 LEU MD2 . . 3.590 3.026 2.779 3.373 . 0 0 "[ . 1 . 2]" 1
1602 1 62 TYR HA 1 66 SER H . . 3.910 3.459 3.326 3.649 . 0 0 "[ . 1 . 2]" 1
1603 1 62 TYR HB3 1 65 LEU H . . 5.500 5.488 5.429 5.510 0.010 18 0 "[ . 1 . 2]" 1
1604 1 62 TYR QD 1 63 GLU HA . . 4.920 4.515 4.177 4.710 . 0 0 "[ . 1 . 2]" 1
1605 1 62 TYR QD 1 65 LEU HB2 . . 4.770 4.341 4.149 4.508 . 0 0 "[ . 1 . 2]" 1
1606 1 62 TYR QD 1 65 LEU HB3 . . 4.280 3.050 2.959 3.199 . 0 0 "[ . 1 . 2]" 1
1607 1 62 TYR QD 1 65 LEU MD1 . . 4.200 3.436 3.028 3.805 . 0 0 "[ . 1 . 2]" 1
1608 1 62 TYR QD 1 65 LEU MD2 . . 3.640 2.253 1.982 2.607 . 0 0 "[ . 1 . 2]" 1
1609 1 62 TYR QD 1 66 SER H . . 4.560 4.285 4.058 4.544 . 0 0 "[ . 1 . 2]" 1
1610 1 62 TYR QD 1 66 SER QB . . 4.890 4.314 3.971 4.891 0.001 19 0 "[ . 1 . 2]" 1
1611 1 62 TYR QD 1 85 LEU QD . . 4.250 4.013 3.504 4.252 0.002 16 0 "[ . 1 . 2]" 1
1612 1 62 TYR QE 1 65 LEU MD1 . . 4.800 4.325 3.972 4.609 . 0 0 "[ . 1 . 2]" 1
1613 1 62 TYR QE 1 65 LEU MD2 . . 3.620 2.590 2.369 2.818 . 0 0 "[ . 1 . 2]" 1
1614 1 62 TYR QE 1 66 SER H . . 5.490 5.106 4.856 5.252 . 0 0 "[ . 1 . 2]" 1
1615 1 62 TYR QE 1 66 SER HA . . 4.770 4.713 4.563 4.773 0.003 18 0 "[ . 1 . 2]" 1
1616 1 62 TYR QE 1 66 SER QB . . 4.930 4.305 3.958 4.772 . 0 0 "[ . 1 . 2]" 1
1617 1 62 TYR QE 1 69 LEU QD . . 4.150 2.676 2.527 2.854 . 0 0 "[ . 1 . 2]" 1
1618 1 62 TYR QE 1 69 LEU HG . . 5.270 5.027 4.862 5.249 . 0 0 "[ . 1 . 2]" 1
1619 1 62 TYR QE 1 85 LEU MD1 . . 4.800 2.575 2.024 2.939 . 0 0 "[ . 1 . 2]" 1
1620 1 62 TYR QE 1 85 LEU QD . . 3.360 2.537 2.000 2.846 . 0 0 "[ . 1 . 2]" 1
1621 1 62 TYR QE 1 85 LEU MD2 . . 4.800 3.967 3.124 4.732 . 0 0 "[ . 1 . 2]" 1
1622 1 62 TYR QE 1 85 LEU HG . . 5.500 3.728 2.704 5.101 . 0 0 "[ . 1 . 2]" 1
1623 1 63 GLU H 1 64 LYS H . . 3.890 2.835 2.602 2.959 . 0 0 "[ . 1 . 2]" 1
1624 1 63 GLU HA 1 63 GLU HG2 . . 3.740 2.604 2.039 3.413 . 0 0 "[ . 1 . 2]" 1
1625 1 63 GLU HA 1 63 GLU QG . . 3.220 2.225 2.016 2.434 . 0 0 "[ . 1 . 2]" 1
1626 1 63 GLU HA 1 63 GLU HG3 . . 3.740 2.515 2.102 3.181 . 0 0 "[ . 1 . 2]" 1
1627 1 63 GLU HA 1 66 SER QB . . 4.530 3.742 3.407 4.000 . 0 0 "[ . 1 . 2]" 1
1628 1 63 GLU QB 1 64 LYS H . . 2.960 2.590 2.464 2.696 . 0 0 "[ . 1 . 2]" 1
1629 1 63 GLU QB 1 64 LYS HA . . 4.640 3.858 3.802 3.933 . 0 0 "[ . 1 . 2]" 1
1630 1 63 GLU HB2 1 64 LYS H . . 3.650 3.111 2.628 3.488 . 0 0 "[ . 1 . 2]" 1
1631 1 63 GLU HB3 1 64 LYS H . . 3.650 2.880 2.519 3.571 . 0 0 "[ . 1 . 2]" 1
1632 1 63 GLU QG 1 64 LYS H . . 4.840 4.301 4.111 4.415 . 0 0 "[ . 1 . 2]" 1
1633 1 63 GLU HG2 1 64 LYS H . . 5.500 4.784 4.361 5.091 . 0 0 "[ . 1 . 2]" 1
1634 1 63 GLU HG3 1 64 LYS H . . 5.500 4.920 4.413 5.060 . 0 0 "[ . 1 . 2]" 1
1635 1 64 LYS H 1 64 LYS QB . . 3.140 2.479 2.402 2.607 . 0 0 "[ . 1 . 2]" 1
1636 1 64 LYS H 1 64 LYS QD . . 4.220 3.752 3.286 4.104 . 0 0 "[ . 1 . 2]" 1
1637 1 64 LYS H 1 64 LYS QE . . 4.530 4.261 4.002 4.530 . 1 0 "[ . 1 . 2]" 1
1638 1 64 LYS H 1 64 LYS HG2 . . 3.670 3.563 3.436 3.670 0.000 19 0 "[ . 1 . 2]" 1
1639 1 64 LYS H 1 64 LYS QG . . 3.050 2.258 1.964 2.493 . 0 0 "[ . 1 . 2]" 1
1640 1 64 LYS H 1 64 LYS HG3 . . 3.670 2.285 1.975 2.539 . 0 0 "[ . 1 . 2]" 1
1641 1 64 LYS H 1 65 LEU H . . 3.060 2.427 2.340 2.561 . 0 0 "[ . 1 . 2]" 1
1642 1 64 LYS H 1 66 SER H . . 4.510 4.075 3.904 4.203 . 0 0 "[ . 1 . 2]" 1
1643 1 64 LYS HA 1 64 LYS HG2 . . 3.810 2.674 2.507 2.921 . 0 0 "[ . 1 . 2]" 1
1644 1 64 LYS HA 1 64 LYS QG . . 3.290 2.508 2.407 2.646 . 0 0 "[ . 1 . 2]" 1
1645 1 64 LYS HA 1 64 LYS HG3 . . 3.810 3.065 2.933 3.238 . 0 0 "[ . 1 . 2]" 1
1646 1 64 LYS HA 1 66 SER H . . 4.620 4.347 4.083 4.562 . 0 0 "[ . 1 . 2]" 1
1647 1 64 LYS HA 1 67 ARG H . . 3.740 3.527 3.412 3.640 . 0 0 "[ . 1 . 2]" 1
1648 1 64 LYS HA 1 67 ARG HB3 . . 3.540 3.078 2.769 3.292 . 0 0 "[ . 1 . 2]" 1
1649 1 64 LYS HA 1 67 ARG QD . . 4.290 3.732 3.264 4.055 . 0 0 "[ . 1 . 2]" 1
1650 1 64 LYS QB 1 65 LEU H . . 3.070 2.508 2.288 2.820 . 0 0 "[ . 1 . 2]" 1
1651 1 64 LYS QB 1 65 LEU HB3 . . 5.340 4.725 4.602 4.863 . 0 0 "[ . 1 . 2]" 1
1652 1 64 LYS QB 1 66 SER H . . 5.270 4.730 4.568 4.905 . 0 0 "[ . 1 . 2]" 1
1653 1 64 LYS HB2 1 67 ARG H . . 5.500 5.427 5.294 5.498 . 0 0 "[ . 1 . 2]" 1
1654 1 64 LYS HB3 1 67 ARG H . . 5.500 5.056 4.914 5.230 . 0 0 "[ . 1 . 2]" 1
1655 1 64 LYS QE 1 64 LYS QG . . 3.060 2.166 2.035 2.432 . 0 0 "[ . 1 . 2]" 1
1656 1 65 LEU H 1 65 LEU HB2 . . 2.990 2.547 2.413 2.666 . 0 0 "[ . 1 . 2]" 1
1657 1 65 LEU H 1 65 LEU HB3 . . 3.040 2.471 2.350 2.626 . 0 0 "[ . 1 . 2]" 1
1658 1 65 LEU H 1 65 LEU MD1 . . 4.380 4.206 4.078 4.285 . 0 0 "[ . 1 . 2]" 1
1659 1 65 LEU H 1 65 LEU MD2 . . 4.280 4.075 3.930 4.234 . 0 0 "[ . 1 . 2]" 1
1660 1 65 LEU H 1 66 SER H . . 3.210 2.829 2.596 2.984 . 0 0 "[ . 1 . 2]" 1
1661 1 65 LEU H 1 67 ARG H . . 4.350 4.211 3.893 4.326 . 0 0 "[ . 1 . 2]" 1
1662 1 65 LEU HA 1 65 LEU MD1 . . 3.850 3.449 3.331 3.536 . 0 0 "[ . 1 . 2]" 1
1663 1 65 LEU HA 1 65 LEU MD2 . . 4.000 3.564 3.449 3.700 . 0 0 "[ . 1 . 2]" 1
1664 1 65 LEU HA 1 65 LEU HG . . 3.250 2.584 2.499 2.674 . 0 0 "[ . 1 . 2]" 1
1665 1 65 LEU HA 1 67 ARG H . . 4.510 3.993 3.839 4.142 . 0 0 "[ . 1 . 2]" 1
1666 1 65 LEU HA 1 67 ARG HG2 . . 4.100 3.519 3.301 3.865 . 0 0 "[ . 1 . 2]" 1
1667 1 65 LEU HA 1 68 ALA H . . 4.780 3.778 3.663 3.984 . 0 0 "[ . 1 . 2]" 1
1668 1 65 LEU HA 1 68 ALA MB . . 3.980 3.767 3.600 3.983 0.003 12 0 "[ . 1 . 2]" 1
1669 1 65 LEU HB2 1 65 LEU MD1 . . 3.320 2.048 1.941 2.171 . 0 0 "[ . 1 . 2]" 1
1670 1 65 LEU HB2 1 65 LEU MD2 . . 3.400 3.091 3.043 3.124 . 0 0 "[ . 1 . 2]" 1
1671 1 65 LEU HB2 1 66 SER H . . 3.990 3.892 3.734 3.989 . 0 0 "[ . 1 . 2]" 1
1672 1 65 LEU HB3 1 66 SER H . . 3.240 2.548 2.347 2.723 . 0 0 "[ . 1 . 2]" 1
1673 1 65 LEU MD1 1 66 SER H . . 4.880 4.699 4.552 4.865 . 0 0 "[ . 1 . 2]" 1
1674 1 65 LEU MD2 1 66 SER H . . 3.920 2.801 2.494 3.102 . 0 0 "[ . 1 . 2]" 1
1675 1 65 LEU MD2 1 66 SER HB2 . . 4.630 4.417 4.142 4.574 . 0 0 "[ . 1 . 2]" 1
1676 1 65 LEU MD2 1 66 SER QB . . 4.060 3.602 3.220 4.023 . 0 0 "[ . 1 . 2]" 1
1677 1 65 LEU MD2 1 66 SER HB3 . . 4.630 3.839 3.357 4.462 . 0 0 "[ . 1 . 2]" 1
1678 1 65 LEU MD2 1 67 ARG H . . 5.300 4.599 4.386 4.849 . 0 0 "[ . 1 . 2]" 1
1679 1 65 LEU MD2 1 68 ALA H . . 5.270 4.583 4.420 4.770 . 0 0 "[ . 1 . 2]" 1
1680 1 65 LEU MD2 1 69 LEU H . . 4.200 4.020 3.782 4.141 . 0 0 "[ . 1 . 2]" 1
1681 1 65 LEU MD2 1 69 LEU QD . . 3.160 1.894 1.705 2.182 . 0 0 "[ . 1 . 2]" 1
1682 1 65 LEU MD2 1 69 LEU HG . . 3.000 2.485 2.217 2.668 . 0 0 "[ . 1 . 2]" 1
1683 1 66 SER H 1 66 SER HB2 . . 3.790 3.336 2.545 3.596 . 0 0 "[ . 1 . 2]" 1
1684 1 66 SER H 1 66 SER QB . . 3.050 2.377 2.204 2.675 . 0 0 "[ . 1 . 2]" 1
1685 1 66 SER H 1 66 SER HB3 . . 3.790 2.648 2.226 3.599 . 0 0 "[ . 1 . 2]" 1
1686 1 66 SER H 1 67 ARG H . . 3.200 2.789 2.634 2.908 . 0 0 "[ . 1 . 2]" 1
1687 1 66 SER H 1 67 ARG HB3 . . 4.850 4.735 4.524 4.850 . 0 0 "[ . 1 . 2]" 1
1688 1 66 SER H 1 68 ALA H . . 4.610 4.531 4.455 4.605 . 0 0 "[ . 1 . 2]" 1
1689 1 66 SER H 1 69 LEU H . . 5.190 4.912 4.750 5.002 . 0 0 "[ . 1 . 2]" 1
1690 1 66 SER H 1 69 LEU QD . . 4.480 3.822 3.430 4.012 . 0 0 "[ . 1 . 2]" 1
1691 1 66 SER HA 1 68 ALA H . . 5.220 3.990 3.735 4.147 . 0 0 "[ . 1 . 2]" 1
1692 1 66 SER HA 1 69 LEU HB2 . . 4.490 2.509 2.225 2.671 . 0 0 "[ . 1 . 2]" 1
1693 1 66 SER HA 1 69 LEU QD . . 4.600 2.063 1.961 2.304 . 0 0 "[ . 1 . 2]" 1
1694 1 66 SER HA 1 69 LEU HG . . 4.630 2.189 2.000 2.343 . 0 0 "[ . 1 . 2]" 1
1695 1 66 SER QB 1 68 ALA H . . 5.340 4.946 4.626 5.167 . 0 0 "[ . 1 . 2]" 1
1696 1 66 SER QB 1 69 LEU H . . 4.610 4.358 4.159 4.563 . 0 0 "[ . 1 . 2]" 1
1697 1 66 SER QB 1 69 LEU HB2 . . 3.660 3.301 3.073 3.417 . 0 0 "[ . 1 . 2]" 1
1698 1 66 SER QB 1 69 LEU HB3 . . 4.800 4.696 4.476 4.801 0.001 19 0 "[ . 1 . 2]" 1
1699 1 66 SER QB 1 69 LEU QD . . 3.400 2.929 2.780 3.109 . 0 0 "[ . 1 . 2]" 1
1700 1 66 SER QB 1 69 LEU HG . . 4.170 4.064 3.847 4.169 . 0 0 "[ . 1 . 2]" 1
1701 1 66 SER QB 1 70 ARG H . . 4.730 4.333 4.058 4.585 . 0 0 "[ . 1 . 2]" 1
1702 1 66 SER HB2 1 67 ARG H . . 4.060 3.674 2.690 4.061 0.001 14 0 "[ . 1 . 2]" 1
1703 1 66 SER HB3 1 67 ARG H . . 4.060 3.864 3.669 4.061 0.001 16 0 "[ . 1 . 2]" 1
1704 1 67 ARG H 1 67 ARG HB3 . . 2.700 2.184 2.151 2.229 . 0 0 "[ . 1 . 2]" 1
1705 1 67 ARG H 1 67 ARG HD2 . . 5.010 4.634 4.327 4.987 . 0 0 "[ . 1 . 2]" 1
1706 1 67 ARG H 1 67 ARG QD . . 4.270 4.024 3.826 4.139 . 0 0 "[ . 1 . 2]" 1
1707 1 67 ARG H 1 67 ARG HD3 . . 5.010 4.463 4.114 4.944 . 0 0 "[ . 1 . 2]" 1
1708 1 67 ARG H 1 67 ARG HG2 . . 3.360 2.963 2.878 3.075 . 0 0 "[ . 1 . 2]" 1
1709 1 67 ARG H 1 67 ARG HG3 . . 4.290 3.997 3.835 4.147 . 0 0 "[ . 1 . 2]" 1
1710 1 67 ARG H 1 68 ALA MB . . 4.680 4.555 4.441 4.646 . 0 0 "[ . 1 . 2]" 1
1711 1 67 ARG H 1 69 LEU H . . 4.160 4.128 4.025 4.164 0.004 14 0 "[ . 1 . 2]" 1
1712 1 67 ARG H 1 69 LEU QD . . 5.440 4.849 4.762 4.955 . 0 0 "[ . 1 . 2]" 1
1713 1 67 ARG H 1 70 ARG H . . 5.260 4.910 4.782 5.099 . 0 0 "[ . 1 . 2]" 1
1714 1 67 ARG HA 1 67 ARG QD . . 4.660 4.259 4.202 4.402 . 0 0 "[ . 1 . 2]" 1
1715 1 67 ARG HA 1 67 ARG HG3 . . 3.640 3.570 3.540 3.641 0.001 2 0 "[ . 1 . 2]" 1
1716 1 67 ARG HA 1 69 LEU H . . 4.620 4.419 4.309 4.582 . 0 0 "[ . 1 . 2]" 1
1717 1 67 ARG HA 1 70 ARG H . . 3.970 3.796 3.679 3.972 0.002 14 0 "[ . 1 . 2]" 1
1718 1 67 ARG HA 1 71 TYR H . . 4.670 4.473 4.245 4.670 0.000 14 0 "[ . 1 . 2]" 1
1719 1 67 ARG HB2 1 67 ARG QD . . 3.520 2.335 2.189 2.569 . 0 0 "[ . 1 . 2]" 1
1720 1 67 ARG HB3 1 67 ARG HD2 . . 4.030 2.634 2.346 3.055 . 0 0 "[ . 1 . 2]" 1
1721 1 67 ARG HB3 1 67 ARG QD . . 3.240 2.420 2.299 2.554 . 0 0 "[ . 1 . 2]" 1
1722 1 67 ARG HB3 1 67 ARG HD3 . . 4.030 2.975 2.440 3.558 . 0 0 "[ . 1 . 2]" 1
1723 1 67 ARG HB3 1 68 ALA H . . 3.690 3.605 3.508 3.680 . 0 0 "[ . 1 . 2]" 1
1724 1 67 ARG QD 1 68 ALA H . . 4.620 4.059 3.882 4.171 . 0 0 "[ . 1 . 2]" 1
1725 1 67 ARG HG2 1 68 ALA H . . 3.860 2.147 1.945 2.353 . 0 0 "[ . 1 . 2]" 1
1726 1 67 ARG HG3 1 68 ALA H . . 3.900 2.635 2.361 3.194 . 0 0 "[ . 1 . 2]" 1
1727 1 67 ARG HG3 1 68 ALA HA . . 4.520 3.070 2.963 3.372 . 0 0 "[ . 1 . 2]" 1
1728 1 68 ALA H 1 68 ALA MB . . 2.750 2.138 2.045 2.270 . 0 0 "[ . 1 . 2]" 1
1729 1 68 ALA H 1 69 LEU H . . 3.000 2.455 2.301 2.516 . 0 0 "[ . 1 . 2]" 1
1730 1 68 ALA H 1 69 LEU HG . . 4.920 3.922 3.814 4.089 . 0 0 "[ . 1 . 2]" 1
1731 1 68 ALA H 1 70 ARG H . . 4.230 4.122 3.983 4.235 0.005 14 0 "[ . 1 . 2]" 1
1732 1 68 ALA HA 1 71 TYR H . . 3.550 3.191 3.021 3.302 . 0 0 "[ . 1 . 2]" 1
1733 1 68 ALA HA 1 71 TYR HB2 . . 4.060 3.414 2.694 3.886 . 0 0 "[ . 1 . 2]" 1
1734 1 68 ALA HA 1 71 TYR HB3 . . 4.060 2.209 2.097 2.332 . 0 0 "[ . 1 . 2]" 1
1735 1 68 ALA HA 1 71 TYR QD . . 4.060 3.634 2.628 4.056 . 0 0 "[ . 1 . 2]" 1
1736 1 68 ALA MB 1 69 LEU H . . 3.240 2.779 2.689 2.927 . 0 0 "[ . 1 . 2]" 1
1737 1 68 ALA MB 1 69 LEU QD . . 4.040 3.250 2.994 3.588 . 0 0 "[ . 1 . 2]" 1
1738 1 68 ALA MB 1 70 ARG H . . 4.850 4.581 4.486 4.659 . 0 0 "[ . 1 . 2]" 1
1739 1 68 ALA MB 1 71 TYR H . . 4.430 4.360 4.197 4.432 0.002 17 0 "[ . 1 . 2]" 1
1740 1 68 ALA MB 1 71 TYR QD . . 4.630 4.237 3.464 4.634 0.004 14 0 "[ . 1 . 2]" 1
1741 1 68 ALA MB 1 72 TYR H . . 4.810 4.714 4.500 4.811 0.001 8 0 "[ . 1 . 2]" 1
1742 1 69 LEU H 1 69 LEU HB2 . . 3.130 2.555 2.462 2.620 . 0 0 "[ . 1 . 2]" 1
1743 1 69 LEU H 1 69 LEU HB3 . . 3.660 3.587 3.582 3.592 . 0 0 "[ . 1 . 2]" 1
1744 1 69 LEU H 1 69 LEU MD1 . . 3.660 3.642 3.604 3.661 0.001 18 0 "[ . 1 . 2]" 1
1745 1 69 LEU H 1 69 LEU MD2 . . 3.660 3.068 2.874 3.293 . 0 0 "[ . 1 . 2]" 1
1746 1 69 LEU H 1 69 LEU HG . . 2.960 2.163 2.076 2.299 . 0 0 "[ . 1 . 2]" 1
1747 1 69 LEU H 1 70 ARG H . . 3.230 2.643 2.548 2.828 . 0 0 "[ . 1 . 2]" 1
1748 1 69 LEU H 1 71 TYR H . . 4.390 3.804 3.715 3.899 . 0 0 "[ . 1 . 2]" 1
1749 1 69 LEU H 1 72 TYR H . . 5.420 4.841 4.740 4.948 . 0 0 "[ . 1 . 2]" 1
1750 1 69 LEU H 1 78 LEU QD . . 4.480 4.202 4.026 4.455 . 0 0 "[ . 1 . 2]" 1
1751 1 69 LEU HA 1 69 LEU MD1 . . 4.380 3.865 3.847 3.893 . 0 0 "[ . 1 . 2]" 1
1752 1 69 LEU HA 1 69 LEU QD . . 3.140 2.136 2.002 2.207 . 0 0 "[ . 1 . 2]" 1
1753 1 69 LEU HA 1 69 LEU MD2 . . 4.380 2.146 2.008 2.220 . 0 0 "[ . 1 . 2]" 1
1754 1 69 LEU HA 1 69 LEU HG . . 4.200 3.232 3.124 3.319 . 0 0 "[ . 1 . 2]" 1
1755 1 69 LEU HA 1 72 TYR H . . 3.840 3.715 3.529 3.841 0.001 14 0 "[ . 1 . 2]" 1
1756 1 69 LEU HA 1 72 TYR HB2 . . 4.630 3.090 2.852 3.458 . 0 0 "[ . 1 . 2]" 1
1757 1 69 LEU HA 1 72 TYR QD . . 3.270 2.169 1.997 2.304 . 0 0 "[ . 1 . 2]" 1
1758 1 69 LEU HA 1 72 TYR QE . . 4.200 3.923 3.740 4.189 . 0 0 "[ . 1 . 2]" 1
1759 1 69 LEU HA 1 78 LEU QD . . 3.930 1.948 1.795 2.174 . 0 0 "[ . 1 . 2]" 1
1760 1 69 LEU HB2 1 70 ARG H . . 3.180 2.653 2.520 2.807 . 0 0 "[ . 1 . 2]" 1
1761 1 69 LEU HB2 1 70 ARG QG . . 4.180 2.995 2.786 3.189 . 0 0 "[ . 1 . 2]" 1
1762 1 69 LEU HB2 1 78 LEU QD . . 4.250 3.781 3.583 4.034 . 0 0 "[ . 1 . 2]" 1
1763 1 69 LEU HB2 1 87 TYR QE . . 4.380 2.944 2.478 3.400 . 0 0 "[ . 1 . 2]" 1
1764 1 69 LEU HB3 1 69 LEU MD1 . . 3.410 2.352 2.252 2.435 . 0 0 "[ . 1 . 2]" 1
1765 1 69 LEU HB3 1 69 LEU QD . . 2.970 2.094 2.034 2.151 . 0 0 "[ . 1 . 2]" 1
1766 1 69 LEU HB3 1 69 LEU MD2 . . 3.410 2.352 2.283 2.409 . 0 0 "[ . 1 . 2]" 1
1767 1 69 LEU HB3 1 70 ARG H . . 3.940 3.761 3.576 3.924 . 0 0 "[ . 1 . 2]" 1
1768 1 69 LEU HB3 1 72 TYR QD . . 4.630 4.457 4.199 4.625 . 0 0 "[ . 1 . 2]" 1
1769 1 69 LEU HB3 1 78 LEU QD . . 3.790 2.561 2.334 2.844 . 0 0 "[ . 1 . 2]" 1
1770 1 69 LEU HB3 1 87 TYR QE . . 4.040 2.314 2.003 2.584 . 0 0 "[ . 1 . 2]" 1
1771 1 69 LEU QD 1 72 TYR QD . . 3.620 2.881 2.580 3.165 . 0 0 "[ . 1 . 2]" 1
1772 1 69 LEU QD 1 72 TYR QE . . 3.750 3.209 2.881 3.476 . 0 0 "[ . 1 . 2]" 1
1773 1 69 LEU QD 1 78 LEU QD . . 3.110 2.007 1.796 2.406 . 0 0 "[ . 1 . 2]" 1
1774 1 69 LEU QD 1 78 LEU HG . . 4.940 4.062 3.724 4.627 . 0 0 "[ . 1 . 2]" 1
1775 1 69 LEU QD 1 87 TYR QD . . 4.460 3.112 2.857 3.370 . 0 0 "[ . 1 . 2]" 1
1776 1 69 LEU QD 1 87 TYR QE . . 3.870 2.537 2.247 2.774 . 0 0 "[ . 1 . 2]" 1
1777 1 69 LEU MD1 1 70 ARG H . . 4.890 4.551 4.426 4.690 . 0 0 "[ . 1 . 2]" 1
1778 1 69 LEU MD2 1 70 ARG H . . 4.890 4.602 4.533 4.665 . 0 0 "[ . 1 . 2]" 1
1779 1 69 LEU HG 1 87 TYR QE . . 5.290 4.625 4.287 4.909 . 0 0 "[ . 1 . 2]" 1
1780 1 70 ARG H 1 70 ARG HB2 . . 3.810 2.504 2.389 2.597 . 0 0 "[ . 1 . 2]" 1
1781 1 70 ARG H 1 70 ARG QB . . 3.140 2.461 2.357 2.544 . 0 0 "[ . 1 . 2]" 1
1782 1 70 ARG H 1 70 ARG HB3 . . 3.810 3.625 3.600 3.650 . 0 0 "[ . 1 . 2]" 1
1783 1 70 ARG H 1 70 ARG HD2 . . 4.920 4.728 4.448 4.920 . 0 0 "[ . 1 . 2]" 1
1784 1 70 ARG H 1 70 ARG QD . . 4.330 4.173 3.916 4.331 0.001 17 0 "[ . 1 . 2]" 1
1785 1 70 ARG H 1 70 ARG HD3 . . 4.920 4.654 4.260 4.895 . 0 0 "[ . 1 . 2]" 1
1786 1 70 ARG H 1 70 ARG HG2 . . 3.400 2.558 2.311 2.808 . 0 0 "[ . 1 . 2]" 1
1787 1 70 ARG H 1 70 ARG QG . . 2.900 2.437 2.274 2.645 . 0 0 "[ . 1 . 2]" 1
1788 1 70 ARG H 1 70 ARG HG3 . . 3.400 3.163 2.724 3.398 . 0 0 "[ . 1 . 2]" 1
1789 1 70 ARG H 1 71 TYR H . . 3.200 2.337 2.251 2.465 . 0 0 "[ . 1 . 2]" 1
1790 1 70 ARG H 1 72 TYR HB2 . . 5.500 5.063 4.948 5.283 . 0 0 "[ . 1 . 2]" 1
1791 1 70 ARG H 1 78 LEU QD . . 4.690 4.422 4.248 4.538 . 0 0 "[ . 1 . 2]" 1
1792 1 70 ARG HA 1 70 ARG HD2 . . 4.800 3.284 2.634 4.159 . 0 0 "[ . 1 . 2]" 1
1793 1 70 ARG HA 1 70 ARG QD . . 4.120 2.914 2.580 3.386 . 0 0 "[ . 1 . 2]" 1
1794 1 70 ARG HA 1 70 ARG HD3 . . 4.800 3.424 2.955 4.454 . 0 0 "[ . 1 . 2]" 1
1795 1 70 ARG HA 1 70 ARG HG2 . . 4.000 2.618 2.476 2.860 . 0 0 "[ . 1 . 2]" 1
1796 1 70 ARG HA 1 70 ARG HG3 . . 4.000 3.759 3.632 3.853 . 0 0 "[ . 1 . 2]" 1
1797 1 70 ARG HA 1 72 TYR H . . 4.910 3.850 3.683 3.963 . 0 0 "[ . 1 . 2]" 1
1798 1 70 ARG HA 1 73 TYR H . . 3.900 3.714 3.547 3.901 0.001 16 0 "[ . 1 . 2]" 1
1799 1 70 ARG HA 1 73 TYR QD . . 4.120 2.444 2.036 2.736 . 0 0 "[ . 1 . 2]" 1
1800 1 70 ARG HA 1 73 TYR QE . . 3.900 2.295 2.159 2.467 . 0 0 "[ . 1 . 2]" 1
1801 1 70 ARG QB 1 70 ARG QD . . 3.190 2.023 1.941 2.283 . 0 0 "[ . 1 . 2]" 1
1802 1 70 ARG QB 1 71 TYR H . . 3.420 2.994 2.838 3.137 . 0 0 "[ . 1 . 2]" 1
1803 1 70 ARG QB 1 71 TYR HA . . 5.140 4.000 3.947 4.060 . 0 0 "[ . 1 . 2]" 1
1804 1 70 ARG QB 1 72 TYR H . . 4.970 4.630 4.504 4.726 . 0 0 "[ . 1 . 2]" 1
1805 1 70 ARG QB 1 73 TYR QD . . 4.290 3.265 2.953 3.514 . 0 0 "[ . 1 . 2]" 1
1806 1 70 ARG QB 1 73 TYR QE . . 4.390 3.499 3.321 3.856 . 0 0 "[ . 1 . 2]" 1
1807 1 70 ARG HB2 1 71 TYR H . . 4.120 3.085 2.907 3.253 . 0 0 "[ . 1 . 2]" 1
1808 1 70 ARG HB3 1 71 TYR H . . 4.120 4.047 3.955 4.120 . 0 0 "[ . 1 . 2]" 1
1809 1 70 ARG QD 1 73 TYR QD . . 4.730 3.436 2.804 3.828 . 0 0 "[ . 1 . 2]" 1
1810 1 70 ARG QD 1 73 TYR QE . . 3.650 2.353 1.972 3.095 . 0 0 "[ . 1 . 2]" 1
1811 1 70 ARG HD2 1 73 TYR QE . . 4.380 3.054 2.097 4.378 . 0 0 "[ . 1 . 2]" 1
1812 1 70 ARG HD3 1 73 TYR QE . . 4.380 2.624 2.001 4.025 . 0 0 "[ . 1 . 2]" 1
1813 1 70 ARG QG 1 71 TYR H . . 4.270 4.129 4.005 4.266 . 0 0 "[ . 1 . 2]" 1
1814 1 70 ARG QG 1 73 TYR QE . . 4.090 3.140 2.722 3.590 . 0 0 "[ . 1 . 2]" 1
1815 1 70 ARG QG 1 87 TYR QE . . 4.690 3.730 3.216 4.265 . 0 0 "[ . 1 . 2]" 1
1816 1 70 ARG HG2 1 71 TYR H . . 5.030 4.481 4.252 4.645 . 0 0 "[ . 1 . 2]" 1
1817 1 70 ARG HG2 1 73 TYR QE . . 4.720 3.208 2.750 3.739 . 0 0 "[ . 1 . 2]" 1
1818 1 70 ARG HG3 1 71 TYR H . . 5.030 4.854 4.450 5.030 0.000 10 0 "[ . 1 . 2]" 1
1819 1 70 ARG HG3 1 73 TYR QE . . 4.720 4.517 4.147 4.664 . 0 0 "[ . 1 . 2]" 1
1820 1 71 TYR H 1 71 TYR HB2 . . 3.050 2.803 2.554 3.053 0.003 9 0 "[ . 1 . 2]" 1
1821 1 71 TYR H 1 71 TYR HB3 . . 3.050 2.397 2.242 2.552 . 0 0 "[ . 1 . 2]" 1
1822 1 71 TYR H 1 71 TYR QD . . 4.250 4.145 4.007 4.212 . 0 0 "[ . 1 . 2]" 1
1823 1 71 TYR H 1 72 TYR HA . . 5.130 4.944 4.841 5.074 . 0 0 "[ . 1 . 2]" 1
1824 1 71 TYR H 1 72 TYR HB2 . . 4.510 4.306 4.189 4.459 . 0 0 "[ . 1 . 2]" 1
1825 1 71 TYR H 1 73 TYR H . . 4.310 4.069 3.962 4.194 . 0 0 "[ . 1 . 2]" 1
1826 1 71 TYR HA 1 71 TYR QD . . 3.450 2.960 2.708 3.154 . 0 0 "[ . 1 . 2]" 1
1827 1 71 TYR HA 1 71 TYR QE . . 4.800 4.760 4.654 4.817 0.017 10 0 "[ . 1 . 2]" 1
1828 1 71 TYR HA 1 73 TYR H . . 4.220 3.779 3.548 4.039 . 0 0 "[ . 1 . 2]" 1
1829 1 71 TYR HA 1 74 LYS QB . . 4.930 4.403 4.148 4.642 . 0 0 "[ . 1 . 2]" 1
1830 1 71 TYR HA 1 74 LYS QD . . 5.340 3.488 1.975 4.170 . 0 0 "[ . 1 . 2]" 1
1831 1 71 TYR HA 1 74 LYS QG . . 5.340 2.606 2.319 3.146 . 0 0 "[ . 1 . 2]" 1
1832 1 71 TYR QB 1 72 TYR H . . 3.450 3.121 2.885 3.286 . 0 0 "[ . 1 . 2]" 1
1833 1 71 TYR QD 1 72 TYR H . . 4.040 3.912 3.672 4.052 0.012 9 0 "[ . 1 . 2]" 1
1834 1 71 TYR QD 1 74 LYS QB . . 4.530 4.460 4.085 4.540 0.010 9 0 "[ . 1 . 2]" 1
1835 1 71 TYR QD 1 74 LYS QD . . 4.530 3.279 1.986 4.147 . 0 0 "[ . 1 . 2]" 1
1836 1 71 TYR QD 1 74 LYS HE2 . . 5.500 3.920 2.069 4.998 . 0 0 "[ . 1 . 2]" 1
1837 1 71 TYR QD 1 74 LYS QE . . 4.690 3.562 2.041 4.262 . 0 0 "[ . 1 . 2]" 1
1838 1 71 TYR QD 1 74 LYS HE3 . . 5.500 4.303 2.338 5.367 . 0 0 "[ . 1 . 2]" 1
1839 1 71 TYR QD 1 75 THR MG . . 4.490 3.832 3.201 4.152 . 0 0 "[ . 1 . 2]" 1
1840 1 71 TYR QE 1 74 LYS QB . . 5.040 4.409 4.011 4.885 . 0 0 "[ . 1 . 2]" 1
1841 1 71 TYR QE 1 74 LYS QD . . 4.550 3.529 2.185 4.056 . 0 0 "[ . 1 . 2]" 1
1842 1 71 TYR QE 1 74 LYS HE2 . . 5.500 4.734 2.224 5.471 . 0 0 "[ . 1 . 2]" 1
1843 1 71 TYR QE 1 74 LYS HE3 . . 5.500 4.887 2.000 5.494 . 0 0 "[ . 1 . 2]" 1
1844 1 71 TYR QE 1 75 THR MG . . 3.710 3.066 2.701 3.401 . 0 0 "[ . 1 . 2]" 1
1845 1 72 TYR H 1 72 TYR HB2 . . 3.060 2.236 2.191 2.285 . 0 0 "[ . 1 . 2]" 1
1846 1 72 TYR H 1 72 TYR HB3 . . 3.720 3.526 3.493 3.559 . 0 0 "[ . 1 . 2]" 1
1847 1 72 TYR H 1 73 TYR H . . 3.140 2.439 2.326 2.533 . 0 0 "[ . 1 . 2]" 1
1848 1 72 TYR H 1 73 TYR HA . . 5.100 5.007 4.920 5.104 0.004 14 0 "[ . 1 . 2]" 1
1849 1 72 TYR H 1 73 TYR HB2 . . 4.900 4.715 4.605 4.797 . 0 0 "[ . 1 . 2]" 1
1850 1 72 TYR H 1 73 TYR QD . . 4.890 4.619 4.225 4.784 . 0 0 "[ . 1 . 2]" 1
1851 1 72 TYR H 1 74 LYS H . . 5.500 4.226 4.015 4.723 . 0 0 "[ . 1 . 2]" 1
1852 1 72 TYR H 1 77 ILE HB . . 5.270 5.094 4.777 5.219 . 0 0 "[ . 1 . 2]" 1
1853 1 72 TYR H 1 78 LEU HB2 . . 4.250 4.039 3.865 4.119 . 0 0 "[ . 1 . 2]" 1
1854 1 72 TYR H 1 78 LEU HB3 . . 5.490 5.324 5.090 5.485 . 0 0 "[ . 1 . 2]" 1
1855 1 72 TYR H 1 78 LEU QD . . 4.070 3.634 3.482 3.874 . 0 0 "[ . 1 . 2]" 1
1856 1 72 TYR HA 1 72 TYR QD . . 3.300 2.054 1.993 2.214 . 0 0 "[ . 1 . 2]" 1
1857 1 72 TYR HA 1 77 ILE H . . 4.350 4.065 3.634 4.288 . 0 0 "[ . 1 . 2]" 1
1858 1 72 TYR HA 1 77 ILE HB . . 4.630 3.021 2.471 3.267 . 0 0 "[ . 1 . 2]" 1
1859 1 72 TYR HA 1 78 LEU H . . 4.310 4.003 3.697 4.133 . 0 0 "[ . 1 . 2]" 1
1860 1 72 TYR HB2 1 73 TYR H . . 3.870 3.195 2.995 3.401 . 0 0 "[ . 1 . 2]" 1
1861 1 72 TYR HB2 1 73 TYR QD . . 5.380 4.484 4.238 4.642 . 0 0 "[ . 1 . 2]" 1
1862 1 72 TYR HB2 1 77 ILE HB . . 4.200 3.665 3.582 3.756 . 0 0 "[ . 1 . 2]" 1
1863 1 72 TYR HB2 1 77 ILE MG . . 4.060 3.743 3.505 4.051 . 0 0 "[ . 1 . 2]" 1
1864 1 72 TYR HB2 1 78 LEU H . . 3.600 3.513 3.422 3.595 . 0 0 "[ . 1 . 2]" 1
1865 1 72 TYR HB2 1 78 LEU HB2 . . 4.630 2.124 1.994 2.338 . 0 0 "[ . 1 . 2]" 1
1866 1 72 TYR HB2 1 78 LEU MD1 . . 4.800 2.251 1.969 3.373 . 0 0 "[ . 1 . 2]" 1
1867 1 72 TYR HB2 1 78 LEU QD . . 3.490 2.143 1.966 2.611 . 0 0 "[ . 1 . 2]" 1
1868 1 72 TYR HB2 1 78 LEU MD2 . . 4.800 4.204 2.186 4.563 . 0 0 "[ . 1 . 2]" 1
1869 1 72 TYR HB2 1 78 LEU HG . . 4.550 3.448 2.997 4.556 0.006 20 0 "[ . 1 . 2]" 1
1870 1 72 TYR HB3 1 77 ILE H . . 3.870 3.791 3.626 3.867 . 0 0 "[ . 1 . 2]" 1
1871 1 72 TYR HB3 1 77 ILE HB . . 3.710 2.039 1.997 2.141 . 0 0 "[ . 1 . 2]" 1
1872 1 72 TYR HB3 1 77 ILE MG . . 4.380 2.685 2.294 3.060 . 0 0 "[ . 1 . 2]" 1
1873 1 72 TYR HB3 1 78 LEU H . . 3.310 2.097 2.009 2.209 . 0 0 "[ . 1 . 2]" 1
1874 1 72 TYR HB3 1 78 LEU MD1 . . 4.490 3.113 2.775 3.594 . 0 0 "[ . 1 . 2]" 1
1875 1 72 TYR HB3 1 78 LEU QD . . 3.650 3.034 2.658 3.423 . 0 0 "[ . 1 . 2]" 1
1876 1 72 TYR HB3 1 78 LEU MD2 . . 4.490 4.263 3.218 4.490 . 0 0 "[ . 1 . 2]" 1
1877 1 72 TYR HB3 1 78 LEU HG . . 4.920 3.221 2.571 4.794 . 0 0 "[ . 1 . 2]" 1
1878 1 72 TYR QD 1 77 ILE H . . 4.890 3.901 3.694 4.280 . 0 0 "[ . 1 . 2]" 1
1879 1 72 TYR QD 1 77 ILE HB . . 3.900 2.154 1.996 2.454 . 0 0 "[ . 1 . 2]" 1
1880 1 72 TYR QD 1 77 ILE MD . . 4.170 3.785 3.456 3.997 . 0 0 "[ . 1 . 2]" 1
1881 1 72 TYR QD 1 77 ILE HG12 . . 4.490 3.437 3.024 3.900 . 0 0 "[ . 1 . 2]" 1
1882 1 72 TYR QD 1 77 ILE HG13 . . 4.490 2.278 2.044 2.600 . 0 0 "[ . 1 . 2]" 1
1883 1 72 TYR QD 1 77 ILE MG . . 3.740 2.870 2.608 3.005 . 0 0 "[ . 1 . 2]" 1
1884 1 72 TYR QD 1 78 LEU H . . 4.250 4.135 4.041 4.253 0.003 10 0 "[ . 1 . 2]" 1
1885 1 72 TYR QD 1 78 LEU HB2 . . 4.490 3.616 3.352 3.845 . 0 0 "[ . 1 . 2]" 1
1886 1 72 TYR QD 1 78 LEU MD1 . . 4.490 2.139 1.876 3.021 . 0 0 "[ . 1 . 2]" 1
1887 1 72 TYR QD 1 78 LEU QD . . 3.330 2.039 1.873 2.344 . 0 0 "[ . 1 . 2]" 1
1888 1 72 TYR QD 1 78 LEU MD2 . . 4.490 4.077 1.956 4.480 . 0 0 "[ . 1 . 2]" 1
1889 1 72 TYR QD 1 78 LEU HG . . 4.640 3.415 2.988 4.650 0.010 10 0 "[ . 1 . 2]" 1
1890 1 72 TYR QE 1 75 THR MG . . 5.500 4.572 4.232 5.043 . 0 0 "[ . 1 . 2]" 1
1891 1 72 TYR QE 1 77 ILE MD . . 4.060 3.614 3.211 3.995 . 0 0 "[ . 1 . 2]" 1
1892 1 72 TYR QE 1 77 ILE MG . . 4.120 3.148 2.921 3.464 . 0 0 "[ . 1 . 2]" 1
1893 1 73 TYR H 1 73 TYR HB2 . . 3.230 2.504 2.461 2.550 . 0 0 "[ . 1 . 2]" 1
1894 1 73 TYR H 1 73 TYR HB3 . . 3.670 3.593 3.589 3.611 . 0 0 "[ . 1 . 2]" 1
1895 1 73 TYR H 1 73 TYR QD . . 3.330 3.171 3.066 3.248 . 0 0 "[ . 1 . 2]" 1
1896 1 73 TYR H 1 73 TYR QE . . 4.610 4.508 4.414 4.616 0.006 9 0 "[ . 1 . 2]" 1
1897 1 73 TYR H 1 74 LYS H . . 3.540 2.624 2.470 2.697 . 0 0 "[ . 1 . 2]" 1
1898 1 73 TYR H 1 74 LYS QB . . 5.000 4.930 4.711 5.004 0.004 16 0 "[ . 1 . 2]" 1
1899 1 73 TYR H 1 74 LYS QG . . 4.470 3.646 3.408 3.848 . 0 0 "[ . 1 . 2]" 1
1900 1 73 TYR H 1 75 THR H . . 4.470 4.309 3.956 4.477 0.007 8 0 "[ . 1 . 2]" 1
1901 1 73 TYR H 1 78 LEU HB2 . . 4.770 3.783 3.454 4.006 . 0 0 "[ . 1 . 2]" 1
1902 1 73 TYR H 1 78 LEU HB3 . . 5.030 4.754 4.294 5.032 0.002 16 0 "[ . 1 . 2]" 1
1903 1 73 TYR H 1 78 LEU QD . . 4.660 4.295 4.005 4.528 . 0 0 "[ . 1 . 2]" 1
1904 1 73 TYR HA 1 73 TYR QD . . 3.190 2.050 1.987 2.302 . 0 0 "[ . 1 . 2]" 1
1905 1 73 TYR HA 1 73 TYR QE . . 4.490 4.347 4.310 4.458 . 0 0 "[ . 1 . 2]" 1
1906 1 73 TYR HA 1 75 THR H . . 4.670 4.396 4.144 4.631 . 0 0 "[ . 1 . 2]" 1
1907 1 73 TYR HA 1 76 GLY H . . 4.730 3.361 3.194 3.536 . 0 0 "[ . 1 . 2]" 1
1908 1 73 TYR HA 1 77 ILE H . . 5.500 4.862 4.457 5.159 . 0 0 "[ . 1 . 2]" 1
1909 1 73 TYR HA 1 78 LEU HB2 . . 4.630 3.880 3.584 4.107 . 0 0 "[ . 1 . 2]" 1
1910 1 73 TYR HA 1 79 GLU HA . . 4.800 4.204 4.040 4.403 . 0 0 "[ . 1 . 2]" 1
1911 1 73 TYR HA 1 80 ARG H . . 4.510 4.440 4.162 4.515 0.005 10 0 "[ . 1 . 2]" 1
1912 1 73 TYR HB2 1 74 LYS H . . 4.430 3.029 2.290 3.505 . 0 0 "[ . 1 . 2]" 1
1913 1 73 TYR HB3 1 74 LYS H . . 4.800 3.963 3.359 4.260 . 0 0 "[ . 1 . 2]" 1
1914 1 73 TYR QD 1 78 LEU HB2 . . 3.540 3.286 2.825 3.492 . 0 0 "[ . 1 . 2]" 1
1915 1 73 TYR QD 1 78 LEU HB3 . . 3.900 2.938 2.461 3.171 . 0 0 "[ . 1 . 2]" 1
1916 1 73 TYR QD 1 78 LEU QD . . 4.610 3.966 3.719 4.110 . 0 0 "[ . 1 . 2]" 1
1917 1 73 TYR QD 1 79 GLU H . . 4.110 3.761 3.511 3.947 . 0 0 "[ . 1 . 2]" 1
1918 1 73 TYR QD 1 79 GLU HA . . 4.200 2.994 2.719 3.552 . 0 0 "[ . 1 . 2]" 1
1919 1 73 TYR QD 1 80 ARG H . . 3.980 3.017 2.522 3.557 . 0 0 "[ . 1 . 2]" 1
1920 1 73 TYR QD 1 80 ARG HA . . 4.630 3.814 3.516 4.010 . 0 0 "[ . 1 . 2]" 1
1921 1 73 TYR QD 1 80 ARG QB . . 5.250 3.672 3.296 4.057 . 0 0 "[ . 1 . 2]" 1
1922 1 73 TYR QD 1 80 ARG QD . . 4.390 2.731 2.376 3.415 . 0 0 "[ . 1 . 2]" 1
1923 1 73 TYR QE 1 78 LEU HA . . 5.170 4.303 4.038 4.703 . 0 0 "[ . 1 . 2]" 1
1924 1 73 TYR QE 1 78 LEU HB2 . . 3.620 3.481 3.268 3.619 . 0 0 "[ . 1 . 2]" 1
1925 1 73 TYR QE 1 78 LEU HB3 . . 3.900 2.067 1.997 2.238 . 0 0 "[ . 1 . 2]" 1
1926 1 73 TYR QE 1 78 LEU QD . . 3.880 3.055 2.741 3.272 . 0 0 "[ . 1 . 2]" 1
1927 1 73 TYR QE 1 79 GLU H . . 4.510 2.762 2.446 3.415 . 0 0 "[ . 1 . 2]" 1
1928 1 73 TYR QE 1 79 GLU HA . . 4.800 3.569 3.201 4.430 . 0 0 "[ . 1 . 2]" 1
1929 1 73 TYR QE 1 80 ARG H . . 4.350 3.433 2.881 4.222 . 0 0 "[ . 1 . 2]" 1
1930 1 73 TYR QE 1 80 ARG HA . . 4.000 2.869 2.633 3.191 . 0 0 "[ . 1 . 2]" 1
1931 1 73 TYR QE 1 80 ARG QB . . 5.070 4.031 3.686 4.395 . 0 0 "[ . 1 . 2]" 1
1932 1 73 TYR QE 1 80 ARG QD . . 4.070 3.392 2.736 4.071 0.001 10 0 "[ . 1 . 2]" 1
1933 1 73 TYR QE 1 80 ARG QG . . 4.200 3.369 2.601 4.118 . 0 0 "[ . 1 . 2]" 1
1934 1 73 TYR QE 1 81 VAL H . . 4.560 4.059 3.729 4.319 . 0 0 "[ . 1 . 2]" 1
1935 1 73 TYR QE 1 87 TYR QD . . 4.170 3.693 3.251 4.006 . 0 0 "[ . 1 . 2]" 1
1936 1 74 LYS H 1 74 LYS QB . . 3.400 2.668 2.581 2.765 . 0 0 "[ . 1 . 2]" 1
1937 1 74 LYS H 1 74 LYS HD2 . . 5.500 4.352 2.938 4.740 . 0 0 "[ . 1 . 2]" 1
1938 1 74 LYS H 1 74 LYS QD . . 4.750 3.914 2.784 4.277 . 0 0 "[ . 1 . 2]" 1
1939 1 74 LYS H 1 74 LYS HD3 . . 5.500 4.455 3.398 4.891 . 0 0 "[ . 1 . 2]" 1
1940 1 74 LYS H 1 74 LYS QG . . 3.840 2.092 1.868 2.421 . 0 0 "[ . 1 . 2]" 1
1941 1 74 LYS H 1 75 THR H . . 3.540 2.484 2.161 2.792 . 0 0 "[ . 1 . 2]" 1
1942 1 74 LYS H 1 75 THR MG . . 4.800 3.918 3.481 4.191 . 0 0 "[ . 1 . 2]" 1
1943 1 74 LYS HA 1 74 LYS HD2 . . 5.390 4.711 4.191 5.400 0.010 10 0 "[ . 1 . 2]" 1
1944 1 74 LYS HA 1 74 LYS QD . . 4.520 3.793 3.277 4.270 . 0 0 "[ . 1 . 2]" 1
1945 1 74 LYS HA 1 74 LYS HD3 . . 5.390 4.106 3.367 5.245 . 0 0 "[ . 1 . 2]" 1
1946 1 74 LYS HA 1 74 LYS QG . . 3.430 2.724 2.544 3.334 . 0 0 "[ . 1 . 2]" 1
1947 1 74 LYS HA 1 75 THR MG . . 4.800 4.644 4.508 4.789 . 0 0 "[ . 1 . 2]" 1
1948 1 74 LYS HA 1 76 GLY H . . 4.560 4.157 3.891 4.576 0.016 8 0 "[ . 1 . 2]" 1
1949 1 74 LYS QB 1 74 LYS QE . . 4.400 3.254 2.119 3.675 . 0 0 "[ . 1 . 2]" 1
1950 1 74 LYS QB 1 75 THR H . . 3.370 2.716 2.355 3.393 0.023 10 0 "[ . 1 . 2]" 1
1951 1 74 LYS QB 1 75 THR MG . . 3.440 2.746 2.537 3.450 0.010 9 0 "[ . 1 . 2]" 1
1952 1 74 LYS QD 1 75 THR H . . 5.340 4.773 3.462 5.104 . 0 0 "[ . 1 . 2]" 1
1953 1 74 LYS HD2 1 75 THR MG . . 5.500 4.842 2.411 5.293 . 0 0 "[ . 1 . 2]" 1
1954 1 74 LYS HD3 1 75 THR MG . . 5.500 5.031 2.565 5.505 0.005 17 0 "[ . 1 . 2]" 1
1955 1 74 LYS QG 1 75 THR H . . 4.410 3.392 1.887 3.804 . 0 0 "[ . 1 . 2]" 1
1956 1 74 LYS QG 1 75 THR MG . . 4.130 3.753 2.078 4.127 . 0 0 "[ . 1 . 2]" 1
1957 1 75 THR H 1 75 THR MG . . 3.180 2.158 1.878 2.653 . 0 0 "[ . 1 . 2]" 1
1958 1 75 THR H 1 76 GLY H . . 2.980 2.328 2.172 2.482 . 0 0 "[ . 1 . 2]" 1
1959 1 75 THR H 1 76 GLY HA2 . . 5.230 4.684 4.533 4.826 . 0 0 "[ . 1 . 2]" 1
1960 1 75 THR H 1 76 GLY HA3 . . 5.500 5.025 4.891 5.152 . 0 0 "[ . 1 . 2]" 1
1961 1 75 THR H 1 77 ILE H . . 4.000 3.809 3.605 3.966 . 0 0 "[ . 1 . 2]" 1
1962 1 75 THR HA 1 75 THR MG . . 3.110 2.496 2.334 2.567 . 0 0 "[ . 1 . 2]" 1
1963 1 75 THR HA 1 76 GLY HA3 . . 4.630 4.489 4.462 4.525 . 0 0 "[ . 1 . 2]" 1
1964 1 75 THR HB 1 77 ILE H . . 4.640 3.662 3.286 4.115 . 0 0 "[ . 1 . 2]" 1
1965 1 75 THR HB 1 77 ILE MD . . 4.630 4.402 4.113 4.660 0.030 8 0 "[ . 1 . 2]" 1
1966 1 75 THR MG 1 76 GLY H . . 4.430 3.908 3.722 4.200 . 0 0 "[ . 1 . 2]" 1
1967 1 75 THR MG 1 77 ILE H . . 5.210 4.180 4.054 4.330 . 0 0 "[ . 1 . 2]" 1
1968 1 75 THR MG 1 77 ILE MD . . 4.800 4.695 4.573 4.800 . 14 0 "[ . 1 . 2]" 1
1969 1 76 GLY H 1 76 GLY HA2 . . 2.920 2.381 2.333 2.475 . 0 0 "[ . 1 . 2]" 1
1970 1 76 GLY H 1 77 ILE HB . . 4.610 4.370 4.015 4.514 . 0 0 "[ . 1 . 2]" 1
1971 1 76 GLY H 1 78 LEU H . . 4.190 3.707 3.556 3.849 . 0 0 "[ . 1 . 2]" 1
1972 1 76 GLY HA2 1 78 LEU H . . 4.060 3.898 3.748 4.018 . 0 0 "[ . 1 . 2]" 1
1973 1 76 GLY HA3 1 92 ASN H . . 4.080 3.872 3.696 4.078 . 0 0 "[ . 1 . 2]" 1
1974 1 76 GLY HA3 1 92 ASN HB2 . . 4.560 3.104 2.845 3.321 . 0 0 "[ . 1 . 2]" 1
1975 1 76 GLY HA3 1 92 ASN HB3 . . 4.800 4.506 4.254 4.718 . 0 0 "[ . 1 . 2]" 1
1976 1 76 GLY HA3 1 92 ASN HD21 . . 3.310 2.883 2.200 3.279 . 0 0 "[ . 1 . 2]" 1
1977 1 76 GLY HA3 1 92 ASN HD22 . . 3.610 3.329 2.860 3.604 . 0 0 "[ . 1 . 2]" 1
1978 1 77 ILE H 1 77 ILE HB . . 3.070 2.530 2.414 2.652 . 0 0 "[ . 1 . 2]" 1
1979 1 77 ILE H 1 77 ILE MD . . 4.140 3.616 3.289 3.818 . 0 0 "[ . 1 . 2]" 1
1980 1 77 ILE H 1 77 ILE HG12 . . 3.610 2.172 1.966 2.375 . 0 0 "[ . 1 . 2]" 1
1981 1 77 ILE H 1 77 ILE HG13 . . 3.610 3.409 3.310 3.614 0.004 8 0 "[ . 1 . 2]" 1
1982 1 77 ILE H 1 77 ILE MG . . 3.810 3.768 3.740 3.782 . 0 0 "[ . 1 . 2]" 1
1983 1 77 ILE H 1 78 LEU H . . 3.060 2.936 2.797 3.019 . 0 0 "[ . 1 . 2]" 1
1984 1 77 ILE H 1 78 LEU HA . . 5.500 5.446 5.353 5.505 0.005 10 0 "[ . 1 . 2]" 1
1985 1 77 ILE H 1 92 ASN HB2 . . 4.730 2.932 2.736 3.192 . 0 0 "[ . 1 . 2]" 1
1986 1 77 ILE H 1 92 ASN HB3 . . 4.510 3.504 3.128 3.889 . 0 0 "[ . 1 . 2]" 1
1987 1 77 ILE HA 1 77 ILE MD . . 3.230 2.227 1.962 2.417 . 0 0 "[ . 1 . 2]" 1
1988 1 77 ILE HA 1 77 ILE HG12 . . 4.060 2.672 2.563 2.882 . 0 0 "[ . 1 . 2]" 1
1989 1 77 ILE HA 1 77 ILE QG . . 3.470 2.612 2.517 2.790 . 0 0 "[ . 1 . 2]" 1
1990 1 77 ILE HA 1 77 ILE HG13 . . 4.060 3.695 3.668 3.726 . 0 0 "[ . 1 . 2]" 1
1991 1 77 ILE HA 1 77 ILE MG . . 3.560 2.438 2.395 2.489 . 0 0 "[ . 1 . 2]" 1
1992 1 77 ILE HA 1 89 PHE HB3 . . 5.500 5.470 5.377 5.502 0.002 19 0 "[ . 1 . 2]" 1
1993 1 77 ILE HA 1 90 GLY H . . 4.310 3.971 3.860 4.097 . 0 0 "[ . 1 . 2]" 1
1994 1 77 ILE HA 1 91 LYS H . . 5.100 5.036 4.832 5.100 0.000 9 0 "[ . 1 . 2]" 1
1995 1 77 ILE HA 1 92 ASN H . . 3.660 3.495 3.253 3.658 . 0 0 "[ . 1 . 2]" 1
1996 1 77 ILE HA 1 92 ASN HB2 . . 4.280 2.165 2.000 2.335 . 0 0 "[ . 1 . 2]" 1
1997 1 77 ILE HA 1 92 ASN HB3 . . 4.490 2.519 2.331 2.733 . 0 0 "[ . 1 . 2]" 1
1998 1 77 ILE HA 1 92 ASN HD21 . . 5.500 4.671 4.494 4.963 . 0 0 "[ . 1 . 2]" 1
1999 1 77 ILE HA 1 93 ALA H . . 4.120 2.872 2.660 3.109 . 0 0 "[ . 1 . 2]" 1
2000 1 77 ILE HA 1 93 ALA MB . . 3.810 3.168 2.901 3.358 . 0 0 "[ . 1 . 2]" 1
2001 1 77 ILE HB 1 77 ILE MD . . 3.740 3.196 3.176 3.218 . 0 0 "[ . 1 . 2]" 1
2002 1 77 ILE HB 1 78 LEU H . . 3.380 2.595 2.510 2.689 . 0 0 "[ . 1 . 2]" 1
2003 1 77 ILE MD 1 77 ILE MG . . 3.010 1.912 1.844 2.085 . 0 0 "[ . 1 . 2]" 1
2004 1 77 ILE MD 1 78 LEU H . . 4.970 4.781 4.649 4.844 . 0 0 "[ . 1 . 2]" 1
2005 1 77 ILE MD 1 92 ASN H . . 4.790 4.602 4.375 4.769 . 0 0 "[ . 1 . 2]" 1
2006 1 77 ILE MD 1 92 ASN HB2 . . 3.950 3.273 3.082 3.441 . 0 0 "[ . 1 . 2]" 1
2007 1 77 ILE MD 1 92 ASN HB3 . . 3.810 2.170 1.911 2.436 . 0 0 "[ . 1 . 2]" 1
2008 1 77 ILE MD 1 93 ALA H . . 4.110 3.425 3.088 3.758 . 0 0 "[ . 1 . 2]" 1
2009 1 77 ILE MD 1 93 ALA HA . . 3.450 2.777 2.520 3.020 . 0 0 "[ . 1 . 2]" 1
2010 1 77 ILE MD 1 93 ALA MB . . 3.740 2.972 2.728 3.202 . 0 0 "[ . 1 . 2]" 1
2011 1 77 ILE QG 1 78 LEU H . . 4.170 4.093 4.003 4.155 . 0 0 "[ . 1 . 2]" 1
2012 1 77 ILE QG 1 93 ALA MB . . 4.970 4.589 4.363 4.746 . 0 0 "[ . 1 . 2]" 1
2013 1 77 ILE HG12 1 77 ILE MG . . 3.740 3.171 3.152 3.194 . 0 0 "[ . 1 . 2]" 1
2014 1 77 ILE HG12 1 78 LEU H . . 4.900 4.416 4.271 4.493 . 0 0 "[ . 1 . 2]" 1
2015 1 77 ILE HG12 1 92 ASN HB3 . . 4.630 2.606 2.261 2.896 . 0 0 "[ . 1 . 2]" 1
2016 1 77 ILE HG13 1 77 ILE MG . . 3.740 2.516 2.339 2.622 . 0 0 "[ . 1 . 2]" 1
2017 1 77 ILE HG13 1 78 LEU H . . 4.900 4.842 4.764 4.902 0.002 17 0 "[ . 1 . 2]" 1
2018 1 77 ILE HG13 1 92 ASN HB3 . . 4.630 4.076 3.778 4.331 . 0 0 "[ . 1 . 2]" 1
2019 1 77 ILE MG 1 78 LEU H . . 3.740 3.214 3.080 3.359 . 0 0 "[ . 1 . 2]" 1
2020 1 77 ILE MG 1 78 LEU MD1 . . 3.850 3.424 1.930 3.834 . 0 0 "[ . 1 . 2]" 1
2021 1 77 ILE MG 1 78 LEU MD2 . . 3.850 3.599 3.285 3.839 . 0 0 "[ . 1 . 2]" 1
2022 1 77 ILE MG 1 78 LEU HG . . 4.720 2.686 2.288 4.593 . 0 0 "[ . 1 . 2]" 1
2023 1 77 ILE MG 1 90 GLY H . . 4.670 4.005 3.855 4.152 . 0 0 "[ . 1 . 2]" 1
2024 1 77 ILE MG 1 93 ALA H . . 4.470 3.909 3.685 4.135 . 0 0 "[ . 1 . 2]" 1
2025 1 77 ILE MG 1 93 ALA HA . . 4.490 3.658 3.375 3.943 . 0 0 "[ . 1 . 2]" 1
2026 1 77 ILE MG 1 93 ALA MB . . 3.240 2.511 2.014 2.757 . 0 0 "[ . 1 . 2]" 1
2027 1 78 LEU H 1 78 LEU HB2 . . 3.470 2.363 2.314 2.393 . 0 0 "[ . 1 . 2]" 1
2028 1 78 LEU H 1 78 LEU HB3 . . 3.890 3.508 3.304 3.562 . 0 0 "[ . 1 . 2]" 1
2029 1 78 LEU H 1 78 LEU MD1 . . 4.390 4.057 3.224 4.354 . 0 0 "[ . 1 . 2]" 1
2030 1 78 LEU H 1 78 LEU MD2 . . 4.390 4.219 4.053 4.302 . 0 0 "[ . 1 . 2]" 1
2031 1 78 LEU H 1 79 GLU H . . 4.660 4.493 4.437 4.515 . 0 0 "[ . 1 . 2]" 1
2032 1 78 LEU H 1 89 PHE HA . . 5.440 5.159 4.995 5.283 . 0 0 "[ . 1 . 2]" 1
2033 1 78 LEU H 1 90 GLY H . . 4.430 4.065 3.868 4.236 . 0 0 "[ . 1 . 2]" 1
2034 1 78 LEU HA 1 78 LEU MD1 . . 4.200 3.642 2.105 3.822 . 0 0 "[ . 1 . 2]" 1
2035 1 78 LEU HA 1 78 LEU QD . . 3.150 2.076 1.921 2.252 . 0 0 "[ . 1 . 2]" 1
2036 1 78 LEU HA 1 78 LEU MD2 . . 4.200 2.247 1.927 3.779 . 0 0 "[ . 1 . 2]" 1
2037 1 78 LEU HA 1 78 LEU HG . . 4.120 2.736 2.603 2.942 . 0 0 "[ . 1 . 2]" 1
2038 1 78 LEU HA 1 79 GLU H . . 2.990 2.450 2.360 2.623 . 0 0 "[ . 1 . 2]" 1
2039 1 78 LEU HA 1 89 PHE HA . . 3.850 2.432 2.221 2.595 . 0 0 "[ . 1 . 2]" 1
2040 1 78 LEU HA 1 89 PHE QD . . 5.500 4.171 3.849 4.371 . 0 0 "[ . 1 . 2]" 1
2041 1 78 LEU HA 1 90 GLY H . . 3.250 2.234 1.986 2.396 . 0 0 "[ . 1 . 2]" 1
2042 1 78 LEU HA 1 90 GLY HA3 . . 4.800 3.906 3.795 4.140 . 0 0 "[ . 1 . 2]" 1
2043 1 78 LEU HB2 1 79 GLU H . . 4.490 3.834 3.685 3.972 . 0 0 "[ . 1 . 2]" 1
2044 1 78 LEU HB3 1 78 LEU MD1 . . 3.640 2.516 2.261 3.185 . 0 0 "[ . 1 . 2]" 1
2045 1 78 LEU HB3 1 78 LEU QD . . 3.100 2.127 2.057 2.406 . 0 0 "[ . 1 . 2]" 1
2046 1 78 LEU HB3 1 78 LEU MD2 . . 3.640 2.312 2.209 2.491 . 0 0 "[ . 1 . 2]" 1
2047 1 78 LEU HB3 1 79 GLU H . . 3.370 2.422 2.221 2.623 . 0 0 "[ . 1 . 2]" 1
2048 1 78 LEU HB3 1 88 LYS H . . 4.470 4.288 4.130 4.407 . 0 0 "[ . 1 . 2]" 1
2049 1 78 LEU HB3 1 90 GLY H . . 4.960 4.842 4.615 4.962 0.002 19 0 "[ . 1 . 2]" 1
2050 1 78 LEU QD 1 79 GLU H . . 3.510 2.437 2.068 3.297 . 0 0 "[ . 1 . 2]" 1
2051 1 78 LEU QD 1 79 GLU HB3 . . 5.440 5.141 4.917 5.451 0.011 20 0 "[ . 1 . 2]" 1
2052 1 78 LEU QD 1 87 TYR HA . . 5.050 4.056 3.815 4.470 . 0 0 "[ . 1 . 2]" 1
2053 1 78 LEU QD 1 87 TYR HB2 . . 4.880 3.331 3.082 3.703 . 0 0 "[ . 1 . 2]" 1
2054 1 78 LEU QD 1 87 TYR QD . . 3.540 2.437 2.144 2.686 . 0 0 "[ . 1 . 2]" 1
2055 1 78 LEU QD 1 87 TYR QE . . 5.380 3.702 3.505 3.909 . 0 0 "[ . 1 . 2]" 1
2056 1 78 LEU QD 1 88 LYS H . . 3.880 2.742 2.431 3.705 . 0 0 "[ . 1 . 2]" 1
2057 1 78 LEU QD 1 88 LYS HA . . 5.440 3.949 3.673 4.723 . 0 0 "[ . 1 . 2]" 1
2058 1 78 LEU QD 1 88 LYS HB3 . . 5.440 4.514 4.219 5.402 . 0 0 "[ . 1 . 2]" 1
2059 1 78 LEU QD 1 89 PHE H . . 4.140 3.714 3.398 4.121 . 0 0 "[ . 1 . 2]" 1
2060 1 78 LEU QD 1 89 PHE HA . . 3.250 2.255 1.995 2.615 . 0 0 "[ . 1 . 2]" 1
2061 1 78 LEU QD 1 89 PHE HB3 . . 4.790 4.048 3.719 4.415 . 0 0 "[ . 1 . 2]" 1
2062 1 78 LEU QD 1 89 PHE QD . . 3.630 2.923 2.263 3.381 . 0 0 "[ . 1 . 2]" 1
2063 1 78 LEU QD 1 89 PHE QE . . 4.450 3.459 2.867 3.749 . 0 0 "[ . 1 . 2]" 1
2064 1 78 LEU QD 1 90 GLY H . . 3.610 3.452 3.234 3.590 . 0 0 "[ . 1 . 2]" 1
2065 1 78 LEU QD 1 93 ALA MB . . 4.460 4.237 3.630 4.458 . 0 0 "[ . 1 . 2]" 1
2066 1 78 LEU MD1 1 79 GLU H . . 4.430 4.136 3.648 4.378 . 0 0 "[ . 1 . 2]" 1
2067 1 78 LEU MD1 1 87 TYR HB3 . . 4.180 3.338 2.931 4.132 . 0 0 "[ . 1 . 2]" 1
2068 1 78 LEU MD1 1 87 TYR QD . . 4.630 2.784 2.244 4.631 0.001 10 0 "[ . 1 . 2]" 1
2069 1 78 LEU MD1 1 88 LYS H . . 4.550 4.408 4.163 4.549 . 0 0 "[ . 1 . 2]" 1
2070 1 78 LEU MD2 1 79 GLU H . . 4.430 2.490 2.074 3.759 . 0 0 "[ . 1 . 2]" 1
2071 1 78 LEU MD2 1 87 TYR HB3 . . 4.180 2.436 2.168 2.831 . 0 0 "[ . 1 . 2]" 1
2072 1 78 LEU MD2 1 87 TYR QD . . 4.630 3.081 2.147 3.589 . 0 0 "[ . 1 . 2]" 1
2073 1 78 LEU MD2 1 88 LYS H . . 4.550 2.791 2.441 4.044 . 0 0 "[ . 1 . 2]" 1
2074 1 78 LEU HG 1 79 GLU H . . 4.650 4.234 2.607 4.573 . 0 0 "[ . 1 . 2]" 1
2075 1 79 GLU H 1 79 GLU HB2 . . 3.510 2.471 2.358 2.653 . 0 0 "[ . 1 . 2]" 1
2076 1 79 GLU H 1 79 GLU HB3 . . 3.950 3.458 3.159 3.617 . 0 0 "[ . 1 . 2]" 1
2077 1 79 GLU H 1 79 GLU HG2 . . 5.060 4.134 3.815 4.568 . 0 0 "[ . 1 . 2]" 1
2078 1 79 GLU H 1 79 GLU QG . . 4.380 3.678 3.477 4.130 . 0 0 "[ . 1 . 2]" 1
2079 1 79 GLU H 1 79 GLU HG3 . . 5.060 4.170 3.713 4.924 . 0 0 "[ . 1 . 2]" 1
2080 1 79 GLU H 1 80 ARG H . . 4.510 4.269 4.121 4.325 . 0 0 "[ . 1 . 2]" 1
2081 1 79 GLU H 1 88 LYS H . . 4.000 3.126 2.852 3.331 . 0 0 "[ . 1 . 2]" 1
2082 1 79 GLU H 1 88 LYS HB2 . . 5.420 5.330 5.200 5.420 0.000 15 0 "[ . 1 . 2]" 1
2083 1 79 GLU H 1 88 LYS HB3 . . 4.390 3.837 3.687 3.947 . 0 0 "[ . 1 . 2]" 1
2084 1 79 GLU H 1 88 LYS HG2 . . 4.890 4.616 4.439 4.891 0.001 10 0 "[ . 1 . 2]" 1
2085 1 79 GLU H 1 90 GLY H . . 3.960 3.769 3.588 3.923 . 0 0 "[ . 1 . 2]" 1
2086 1 79 GLU H 1 90 GLY HA3 . . 5.190 4.743 4.467 5.031 . 0 0 "[ . 1 . 2]" 1
2087 1 79 GLU HA 1 79 GLU QG . . 3.380 2.123 2.020 2.533 . 0 0 "[ . 1 . 2]" 1
2088 1 79 GLU HA 1 80 ARG H . . 2.710 2.143 2.139 2.155 . 0 0 "[ . 1 . 2]" 1
2089 1 79 GLU HA 1 80 ARG HA . . 4.630 4.375 4.356 4.411 . 0 0 "[ . 1 . 2]" 1
2090 1 79 GLU HA 1 80 ARG QB . . 4.690 4.035 4.013 4.067 . 0 0 "[ . 1 . 2]" 1
2091 1 79 GLU HB2 1 80 ARG H . . 4.600 4.496 4.449 4.545 . 0 0 "[ . 1 . 2]" 1
2092 1 79 GLU HB2 1 88 LYS H . . 4.350 4.024 3.790 4.334 . 0 0 "[ . 1 . 2]" 1
2093 1 79 GLU HB2 1 88 LYS HB2 . . 4.800 4.352 4.133 4.661 . 0 0 "[ . 1 . 2]" 1
2094 1 79 GLU HB2 1 88 LYS HD2 . . 4.760 3.560 3.212 3.940 . 0 0 "[ . 1 . 2]" 1
2095 1 79 GLU HB2 1 88 LYS HD3 . . 4.200 2.413 2.097 2.678 . 0 0 "[ . 1 . 2]" 1
2096 1 79 GLU HB2 1 88 LYS HG2 . . 4.380 3.163 2.977 3.453 . 0 0 "[ . 1 . 2]" 1
2097 1 79 GLU HB2 1 90 GLY HA2 . . 4.630 3.476 3.281 3.740 . 0 0 "[ . 1 . 2]" 1
2098 1 79 GLU HB2 1 90 GLY HA3 . . 4.630 4.270 4.070 4.533 . 0 0 "[ . 1 . 2]" 1
2099 1 79 GLU HB3 1 80 ARG H . . 3.730 3.618 3.475 3.740 0.010 10 0 "[ . 1 . 2]" 1
2100 1 79 GLU HB3 1 88 LYS HD3 . . 3.780 2.809 2.488 3.293 . 0 0 "[ . 1 . 2]" 1
2101 1 79 GLU HB3 1 88 LYS QE . . 5.100 4.740 4.432 5.097 . 0 0 "[ . 1 . 2]" 1
2102 1 79 GLU QG 1 80 ARG H . . 4.040 3.724 2.882 3.993 . 0 0 "[ . 1 . 2]" 1
2103 1 79 GLU QG 1 90 GLY HA2 . . 3.820 2.238 2.008 2.914 . 0 0 "[ . 1 . 2]" 1
2104 1 79 GLU QG 1 90 GLY HA3 . . 4.080 2.965 2.402 3.710 . 0 0 "[ . 1 . 2]" 1
2105 1 80 ARG H 1 80 ARG HB2 . . 3.230 2.173 2.064 2.323 . 0 0 "[ . 1 . 2]" 1
2106 1 80 ARG H 1 80 ARG QB . . 2.790 2.117 2.041 2.203 . 0 0 "[ . 1 . 2]" 1
2107 1 80 ARG H 1 80 ARG HB3 . . 3.230 2.978 2.737 3.226 . 0 0 "[ . 1 . 2]" 1
2108 1 80 ARG H 1 80 ARG HD2 . . 5.030 4.399 3.690 4.987 . 0 0 "[ . 1 . 2]" 1
2109 1 80 ARG H 1 80 ARG QD . . 4.300 3.891 3.552 4.200 . 0 0 "[ . 1 . 2]" 1
2110 1 80 ARG H 1 80 ARG HD3 . . 5.030 4.432 3.842 5.017 . 0 0 "[ . 1 . 2]" 1
2111 1 80 ARG H 1 80 ARG HG2 . . 4.800 4.637 4.535 4.667 . 0 0 "[ . 1 . 2]" 1
2112 1 80 ARG H 1 80 ARG QG . . 4.010 3.867 3.550 4.011 0.001 12 0 "[ . 1 . 2]" 1
2113 1 80 ARG H 1 80 ARG HG3 . . 4.800 4.147 3.709 4.382 . 0 0 "[ . 1 . 2]" 1
2114 1 80 ARG H 1 81 VAL H . . 4.580 4.508 4.291 4.586 0.006 2 0 "[ . 1 . 2]" 1
2115 1 80 ARG HA 1 80 ARG QD . . 4.690 3.363 2.868 3.899 . 0 0 "[ . 1 . 2]" 1
2116 1 80 ARG HA 1 80 ARG HG2 . . 4.120 3.309 2.829 3.624 . 0 0 "[ . 1 . 2]" 1
2117 1 80 ARG HA 1 80 ARG QG . . 3.460 2.152 2.040 2.333 . 0 0 "[ . 1 . 2]" 1
2118 1 80 ARG HA 1 80 ARG HG3 . . 4.120 2.184 2.063 2.362 . 0 0 "[ . 1 . 2]" 1
2119 1 80 ARG HA 1 81 VAL H . . 2.860 2.155 2.140 2.181 . 0 0 "[ . 1 . 2]" 1
2120 1 80 ARG HA 1 81 VAL HA . . 4.800 4.399 4.394 4.414 . 0 0 "[ . 1 . 2]" 1
2121 1 80 ARG HA 1 81 VAL QG . . 4.180 3.587 3.380 3.848 . 0 0 "[ . 1 . 2]" 1
2122 1 80 ARG QB 1 80 ARG QD . . 2.950 2.060 1.944 2.129 . 0 0 "[ . 1 . 2]" 1
2123 1 80 ARG QB 1 81 VAL H . . 3.880 3.679 3.478 3.877 . 0 0 "[ . 1 . 2]" 1
2124 1 80 ARG HB2 1 80 ARG HD2 . . 3.970 2.630 2.159 3.120 . 0 0 "[ . 1 . 2]" 1
2125 1 80 ARG HB2 1 80 ARG HD3 . . 3.970 2.320 2.001 2.736 . 0 0 "[ . 1 . 2]" 1
2126 1 80 ARG HB2 1 81 VAL H . . 4.650 4.447 4.348 4.626 . 0 0 "[ . 1 . 2]" 1
2127 1 80 ARG HB3 1 80 ARG HD2 . . 3.970 3.698 3.341 3.965 . 0 0 "[ . 1 . 2]" 1
2128 1 80 ARG HB3 1 80 ARG HD3 . . 3.970 3.006 2.473 3.470 . 0 0 "[ . 1 . 2]" 1
2129 1 80 ARG HB3 1 81 VAL H . . 4.650 3.932 3.628 4.205 . 0 0 "[ . 1 . 2]" 1
2130 1 80 ARG QG 1 81 VAL H . . 3.540 2.940 2.568 3.540 . 0 0 "[ . 1 . 2]" 1
2131 1 80 ARG HG2 1 81 VAL H . . 4.260 3.886 3.114 4.261 0.001 10 0 "[ . 1 . 2]" 1
2132 1 80 ARG HG3 1 81 VAL H . . 4.260 3.106 2.611 3.783 . 0 0 "[ . 1 . 2]" 1
2133 1 81 VAL H 1 81 VAL HB . . 3.770 2.671 2.496 2.849 . 0 0 "[ . 1 . 2]" 1
2134 1 81 VAL H 1 81 VAL MG1 . . 4.200 3.858 3.782 3.928 . 0 0 "[ . 1 . 2]" 1
2135 1 81 VAL H 1 81 VAL QG . . 3.310 2.627 2.330 2.929 . 0 0 "[ . 1 . 2]" 1
2136 1 81 VAL H 1 81 VAL MG2 . . 4.200 2.677 2.349 3.042 . 0 0 "[ . 1 . 2]" 1
2137 1 81 VAL H 1 82 ASP HA . . 5.100 4.961 4.833 5.099 . 0 0 "[ . 1 . 2]" 1
2138 1 81 VAL H 1 83 ARG H . . 4.880 4.687 4.420 4.883 0.003 17 0 "[ . 1 . 2]" 1
2139 1 81 VAL H 1 87 TYR HA . . 4.700 4.464 4.118 4.701 0.001 15 0 "[ . 1 . 2]" 1
2140 1 81 VAL HA 1 81 VAL MG1 . . 3.380 2.355 2.172 2.472 . 0 0 "[ . 1 . 2]" 1
2141 1 81 VAL HA 1 81 VAL MG2 . . 3.380 2.384 2.279 2.541 . 0 0 "[ . 1 . 2]" 1
2142 1 81 VAL HA 1 82 ASP HA . . 4.800 4.364 4.351 4.375 . 0 0 "[ . 1 . 2]" 1
2143 1 81 VAL HA 1 82 ASP QB . . 5.340 4.189 3.966 4.357 . 0 0 "[ . 1 . 2]" 1
2144 1 81 VAL HA 1 83 ARG H . . 4.220 4.039 3.830 4.213 . 0 0 "[ . 1 . 2]" 1
2145 1 81 VAL HB 1 83 ARG H . . 3.380 3.127 2.650 3.388 0.008 17 0 "[ . 1 . 2]" 1
2146 1 81 VAL HB 1 86 VAL H . . 5.210 4.547 4.371 4.932 . 0 0 "[ . 1 . 2]" 1
2147 1 81 VAL HB 1 86 VAL MG1 . . 4.390 3.683 3.160 4.131 . 0 0 "[ . 1 . 2]" 1
2148 1 81 VAL HB 1 87 TYR H . . 5.500 5.255 5.103 5.421 . 0 0 "[ . 1 . 2]" 1
2149 1 81 VAL QG 1 82 ASP H . . 3.980 2.105 1.939 2.371 . 0 0 "[ . 1 . 2]" 1
2150 1 81 VAL QG 1 82 ASP HA . . 4.640 3.775 3.626 4.083 . 0 0 "[ . 1 . 2]" 1
2151 1 81 VAL QG 1 83 ARG H . . 3.210 2.023 1.774 2.642 . 0 0 "[ . 1 . 2]" 1
2152 1 81 VAL QG 1 83 ARG QB . . 3.960 1.954 1.826 2.192 . 0 0 "[ . 1 . 2]" 1
2153 1 81 VAL QG 1 83 ARG QD . . 4.020 2.316 1.819 3.026 . 0 0 "[ . 1 . 2]" 1
2154 1 81 VAL QG 1 83 ARG QG . . 3.960 3.184 2.471 3.651 . 0 0 "[ . 1 . 2]" 1
2155 1 81 VAL QG 1 86 VAL H . . 4.710 4.029 3.449 4.471 . 0 0 "[ . 1 . 2]" 1
2156 1 81 VAL QG 1 86 VAL HA . . 5.190 4.291 3.952 4.574 . 0 0 "[ . 1 . 2]" 1
2157 1 81 VAL QG 1 86 VAL HB . . 3.270 2.730 2.297 3.246 . 0 0 "[ . 1 . 2]" 1
2158 1 81 VAL QG 1 87 TYR H . . 4.460 4.023 3.721 4.366 . 0 0 "[ . 1 . 2]" 1
2159 1 81 VAL QG 1 87 TYR HA . . 3.750 2.229 1.914 2.760 . 0 0 "[ . 1 . 2]" 1
2160 1 81 VAL QG 1 87 TYR QD . . 4.600 4.147 3.637 4.546 . 0 0 "[ . 1 . 2]" 1
2161 1 81 VAL QG 1 88 LYS H . . 3.700 2.853 2.557 3.145 . 0 0 "[ . 1 . 2]" 1
2162 1 81 VAL QG 1 88 LYS HB2 . . 3.830 2.962 2.759 3.179 . 0 0 "[ . 1 . 2]" 1
2163 1 81 VAL QG 1 88 LYS HB3 . . 4.040 2.676 2.479 2.914 . 0 0 "[ . 1 . 2]" 1
2164 1 81 VAL QG 1 88 LYS HD2 . . 4.250 3.599 3.245 4.222 . 0 0 "[ . 1 . 2]" 1
2165 1 81 VAL QG 1 88 LYS HD3 . . 4.880 4.337 4.016 4.753 . 0 0 "[ . 1 . 2]" 1
2166 1 81 VAL MG1 1 86 VAL HB . . 4.540 2.764 2.306 3.341 . 0 0 "[ . 1 . 2]" 1
2167 1 81 VAL MG2 1 86 VAL HB . . 4.540 4.349 4.136 4.519 . 0 0 "[ . 1 . 2]" 1
2168 1 82 ASP H 1 83 ARG H . . 4.310 2.974 2.794 3.217 . 0 0 "[ . 1 . 2]" 1
2169 1 82 ASP HA 1 83 ARG H . . 3.280 2.848 2.732 2.975 . 0 0 "[ . 1 . 2]" 1
2170 1 82 ASP HB2 1 83 ARG H . . 4.450 4.252 4.089 4.419 . 0 0 "[ . 1 . 2]" 1
2171 1 82 ASP HB3 1 83 ARG H . . 4.450 4.343 4.223 4.423 . 0 0 "[ . 1 . 2]" 1
2172 1 83 ARG H 1 83 ARG QB . . 3.230 2.428 2.315 2.611 . 0 0 "[ . 1 . 2]" 1
2173 1 83 ARG H 1 83 ARG QD . . 4.340 3.884 3.259 4.307 . 0 0 "[ . 1 . 2]" 1
2174 1 83 ARG H 1 83 ARG QG . . 3.720 3.523 2.974 3.718 . 0 0 "[ . 1 . 2]" 1
2175 1 83 ARG H 1 84 ARG H . . 4.660 4.421 4.338 4.487 . 0 0 "[ . 1 . 2]" 1
2176 1 83 ARG H 1 86 VAL H . . 5.190 4.753 4.465 5.170 . 0 0 "[ . 1 . 2]" 1
2177 1 83 ARG H 1 86 VAL MG1 . . 5.050 4.513 4.154 4.875 . 0 0 "[ . 1 . 2]" 1
2178 1 83 ARG H 1 86 VAL MG2 . . 5.500 5.107 4.759 5.271 . 0 0 "[ . 1 . 2]" 1
2179 1 83 ARG HA 1 83 ARG HD2 . . 5.500 4.316 3.944 4.818 . 0 0 "[ . 1 . 2]" 1
2180 1 83 ARG HA 1 83 ARG QD . . 4.700 3.900 3.638 4.130 . 0 0 "[ . 1 . 2]" 1
2181 1 83 ARG HA 1 83 ARG HD3 . . 5.500 4.479 4.267 4.718 . 0 0 "[ . 1 . 2]" 1
2182 1 83 ARG HA 1 83 ARG HG2 . . 4.060 2.902 2.600 3.285 . 0 0 "[ . 1 . 2]" 1
2183 1 83 ARG HA 1 83 ARG QG . . 3.510 2.228 2.112 2.448 . 0 0 "[ . 1 . 2]" 1
2184 1 83 ARG HA 1 83 ARG HG3 . . 4.060 2.358 2.156 2.854 . 0 0 "[ . 1 . 2]" 1
2185 1 83 ARG HA 1 84 ARG H . . 3.150 2.575 2.187 2.711 . 0 0 "[ . 1 . 2]" 1
2186 1 83 ARG HA 1 84 ARG HA . . 4.800 4.366 4.331 4.400 . 0 0 "[ . 1 . 2]" 1
2187 1 83 ARG HA 1 84 ARG QB . . 4.410 4.137 4.048 4.252 . 0 0 "[ . 1 . 2]" 1
2188 1 83 ARG QB 1 83 ARG QD . . 3.260 2.011 1.943 2.099 . 0 0 "[ . 1 . 2]" 1
2189 1 83 ARG QB 1 84 ARG H . . 3.550 2.119 1.917 3.072 . 0 0 "[ . 1 . 2]" 1
2190 1 83 ARG QB 1 86 VAL HB . . 3.880 1.933 1.837 2.111 . 0 0 "[ . 1 . 2]" 1
2191 1 83 ARG QB 1 86 VAL MG1 . . 3.710 2.698 2.376 2.898 . 0 0 "[ . 1 . 2]" 1
2192 1 83 ARG QB 1 86 VAL MG2 . . 3.470 2.325 1.956 2.610 . 0 0 "[ . 1 . 2]" 1
2193 1 83 ARG HB2 1 86 VAL MG1 . . 4.460 2.850 2.440 3.109 . 0 0 "[ . 1 . 2]" 1
2194 1 83 ARG HB2 1 86 VAL MG2 . . 4.310 3.328 3.167 3.643 . 0 0 "[ . 1 . 2]" 1
2195 1 83 ARG HB3 1 86 VAL MG1 . . 4.460 3.358 3.171 3.670 . 0 0 "[ . 1 . 2]" 1
2196 1 83 ARG HB3 1 86 VAL MG2 . . 4.310 2.379 1.975 2.680 . 0 0 "[ . 1 . 2]" 1
2197 1 83 ARG QD 1 86 VAL MG1 . . 3.820 2.368 2.006 2.782 . 0 0 "[ . 1 . 2]" 1
2198 1 83 ARG HD2 1 86 VAL MG1 . . 4.630 3.348 2.175 4.014 . 0 0 "[ . 1 . 2]" 1
2199 1 83 ARG HD3 1 86 VAL MG1 . . 4.630 2.611 2.021 3.712 . 0 0 "[ . 1 . 2]" 1
2200 1 83 ARG QG 1 84 ARG H . . 4.020 3.221 2.775 3.666 . 0 0 "[ . 1 . 2]" 1
2201 1 83 ARG HG2 1 84 ARG H . . 4.610 3.396 2.840 4.001 . 0 0 "[ . 1 . 2]" 1
2202 1 83 ARG HG3 1 84 ARG H . . 4.610 4.050 3.737 4.599 . 0 0 "[ . 1 . 2]" 1
2203 1 84 ARG H 1 84 ARG HB2 . . 3.720 2.861 2.576 3.585 . 0 0 "[ . 1 . 2]" 1
2204 1 84 ARG H 1 84 ARG QB . . 3.170 2.341 2.278 2.423 . 0 0 "[ . 1 . 2]" 1
2205 1 84 ARG H 1 84 ARG HB3 . . 3.720 2.511 2.385 2.716 . 0 0 "[ . 1 . 2]" 1
2206 1 84 ARG H 1 84 ARG QG . . 4.910 3.931 2.360 4.127 . 0 0 "[ . 1 . 2]" 1
2207 1 84 ARG H 1 86 VAL MG2 . . 4.880 3.236 2.911 4.129 . 0 0 "[ . 1 . 2]" 1
2208 1 84 ARG HA 1 84 ARG HD2 . . 5.500 3.573 2.073 4.919 . 0 0 "[ . 1 . 2]" 1
2209 1 84 ARG HA 1 84 ARG QD . . 4.670 3.188 2.025 4.227 . 0 0 "[ . 1 . 2]" 1
2210 1 84 ARG HA 1 84 ARG HD3 . . 5.500 3.843 2.658 4.949 . 0 0 "[ . 1 . 2]" 1
2211 1 84 ARG HA 1 84 ARG HG2 . . 4.120 3.533 2.802 3.871 . 0 0 "[ . 1 . 2]" 1
2212 1 84 ARG HA 1 84 ARG HG3 . . 4.120 2.760 2.314 3.635 . 0 0 "[ . 1 . 2]" 1
2213 1 84 ARG HA 1 85 LEU H . . 2.760 2.163 2.140 2.383 . 0 0 "[ . 1 . 2]" 1
2214 1 84 ARG HA 1 85 LEU HB2 . . 4.800 4.378 4.272 4.659 . 0 0 "[ . 1 . 2]" 1
2215 1 84 ARG HA 1 85 LEU QD . . 4.610 3.470 3.114 3.869 . 0 0 "[ . 1 . 2]" 1
2216 1 84 ARG HA 1 86 VAL H . . 3.940 3.731 3.302 3.932 . 0 0 "[ . 1 . 2]" 1
2217 1 84 ARG QB 1 84 ARG QD . . 3.290 2.102 1.944 2.324 . 0 0 "[ . 1 . 2]" 1
2218 1 84 ARG QB 1 85 LEU H . . 4.420 3.714 2.521 3.873 . 0 0 "[ . 1 . 2]" 1
2219 1 84 ARG QB 1 85 LEU QD . . 4.480 3.737 2.673 4.063 . 0 0 "[ . 1 . 2]" 1
2220 1 84 ARG HB2 1 85 LEU H . . 5.080 4.179 2.553 4.483 . 0 0 "[ . 1 . 2]" 1
2221 1 84 ARG HB3 1 85 LEU H . . 5.080 4.206 3.914 4.369 . 0 0 "[ . 1 . 2]" 1
2222 1 84 ARG QD 1 85 LEU QD . . 4.400 3.003 1.959 3.636 . 0 0 "[ . 1 . 2]" 1
2223 1 84 ARG HD2 1 85 LEU H . . 5.500 4.287 2.618 5.460 . 0 0 "[ . 1 . 2]" 1
2224 1 84 ARG HD3 1 85 LEU H . . 5.500 4.861 3.836 5.405 . 0 0 "[ . 1 . 2]" 1
2225 1 84 ARG QG 1 85 LEU H . . 3.420 2.854 2.556 3.338 . 0 0 "[ . 1 . 2]" 1
2226 1 84 ARG QG 1 85 LEU HB3 . . 4.690 4.265 4.006 4.684 . 0 0 "[ . 1 . 2]" 1
2227 1 84 ARG QG 1 85 LEU QD . . 3.780 2.194 1.869 2.875 . 0 0 "[ . 1 . 2]" 1
2228 1 85 LEU H 1 85 LEU HB2 . . 4.160 3.185 3.084 3.291 . 0 0 "[ . 1 . 2]" 1
2229 1 85 LEU H 1 85 LEU HB3 . . 4.140 4.029 3.976 4.082 . 0 0 "[ . 1 . 2]" 1
2230 1 85 LEU H 1 85 LEU MD1 . . 4.490 2.429 1.939 3.916 . 0 0 "[ . 1 . 2]" 1
2231 1 85 LEU H 1 85 LEU QD . . 3.590 2.120 1.932 2.362 . 0 0 "[ . 1 . 2]" 1
2232 1 85 LEU H 1 85 LEU MD2 . . 4.490 3.923 1.937 4.489 . 0 0 "[ . 1 . 2]" 1
2233 1 85 LEU H 1 85 LEU HG . . 4.460 4.159 3.870 4.479 0.019 15 0 "[ . 1 . 2]" 1
2234 1 85 LEU H 1 86 VAL H . . 3.180 2.835 2.670 2.998 . 0 0 "[ . 1 . 2]" 1
2235 1 85 LEU H 1 86 VAL MG2 . . 4.790 4.465 4.340 4.724 . 0 0 "[ . 1 . 2]" 1
2236 1 85 LEU H 1 87 TYR QE . . 4.610 4.288 3.911 4.610 . 0 0 "[ . 1 . 2]" 1
2237 1 85 LEU HA 1 85 LEU MD1 . . 4.280 2.266 1.970 2.593 . 0 0 "[ . 1 . 2]" 1
2238 1 85 LEU HA 1 85 LEU QD . . 3.050 2.217 1.957 2.550 . 0 0 "[ . 1 . 2]" 1
2239 1 85 LEU HA 1 85 LEU MD2 . . 4.280 3.544 2.069 3.825 . 0 0 "[ . 1 . 2]" 1
2240 1 85 LEU HA 1 85 LEU HG . . 4.060 2.802 2.473 3.721 . 0 0 "[ . 1 . 2]" 1
2241 1 85 LEU HA 1 86 VAL H . . 3.520 2.844 2.744 2.954 . 0 0 "[ . 1 . 2]" 1
2242 1 85 LEU HA 1 87 TYR QE . . 3.900 2.468 2.305 2.737 . 0 0 "[ . 1 . 2]" 1
2243 1 85 LEU HB2 1 85 LEU QD . . 3.040 2.132 1.989 2.461 . 0 0 "[ . 1 . 2]" 1
2244 1 85 LEU HB2 1 86 VAL H . . 4.350 4.238 4.129 4.336 . 0 0 "[ . 1 . 2]" 1
2245 1 85 LEU HB3 1 85 LEU MD1 . . 3.450 3.002 2.142 3.195 . 0 0 "[ . 1 . 2]" 1
2246 1 85 LEU HB3 1 85 LEU QD . . 2.920 2.306 2.110 2.446 . 0 0 "[ . 1 . 2]" 1
2247 1 85 LEU HB3 1 85 LEU MD2 . . 3.450 2.548 2.258 3.184 . 0 0 "[ . 1 . 2]" 1
2248 1 85 LEU HB3 1 86 VAL H . . 4.610 4.304 4.241 4.355 . 0 0 "[ . 1 . 2]" 1
2249 1 85 LEU HB3 1 86 VAL MG2 . . 5.140 3.929 3.538 4.350 . 0 0 "[ . 1 . 2]" 1
2250 1 85 LEU QD 1 86 VAL H . . 4.600 4.085 3.829 4.235 . 0 0 "[ . 1 . 2]" 1
2251 1 85 LEU QD 1 87 TYR QE . . 4.170 3.541 2.564 4.040 . 0 0 "[ . 1 . 2]" 1
2252 1 85 LEU HG 1 87 TYR QE . . 5.500 4.197 3.417 5.478 . 0 0 "[ . 1 . 2]" 1
2253 1 86 VAL H 1 86 VAL HB . . 2.970 2.658 2.536 2.805 . 0 0 "[ . 1 . 2]" 1
2254 1 86 VAL H 1 86 VAL MG1 . . 4.280 3.825 3.735 3.904 . 0 0 "[ . 1 . 2]" 1
2255 1 86 VAL H 1 86 VAL MG2 . . 3.150 3.023 2.873 3.157 0.007 15 0 "[ . 1 . 2]" 1
2256 1 86 VAL H 1 87 TYR H . . 4.220 4.090 3.911 4.219 . 0 0 "[ . 1 . 2]" 1
2257 1 86 VAL H 1 87 TYR QD . . 4.820 3.812 3.559 4.111 . 0 0 "[ . 1 . 2]" 1
2258 1 86 VAL H 1 87 TYR QE . . 4.280 3.863 3.567 4.128 . 0 0 "[ . 1 . 2]" 1
2259 1 86 VAL HA 1 86 VAL MG1 . . 3.470 2.407 2.326 2.532 . 0 0 "[ . 1 . 2]" 1
2260 1 86 VAL HA 1 86 VAL MG2 . . 3.290 2.298 2.141 2.382 . 0 0 "[ . 1 . 2]" 1
2261 1 86 VAL HA 1 87 TYR H . . 2.810 2.154 2.140 2.171 . 0 0 "[ . 1 . 2]" 1
2262 1 86 VAL HA 1 87 TYR QD . . 4.630 3.240 2.992 3.456 . 0 0 "[ . 1 . 2]" 1
2263 1 86 VAL HB 1 87 TYR H . . 4.710 4.409 4.319 4.497 . 0 0 "[ . 1 . 2]" 1
2264 1 86 VAL MG1 1 87 TYR H . . 3.360 2.955 2.701 3.179 . 0 0 "[ . 1 . 2]" 1
2265 1 86 VAL MG1 1 87 TYR HA . . 4.630 3.702 3.524 3.862 . 0 0 "[ . 1 . 2]" 1
2266 1 86 VAL MG2 1 87 TYR H . . 4.310 4.072 3.942 4.185 . 0 0 "[ . 1 . 2]" 1
2267 1 87 TYR H 1 87 TYR HB2 . . 3.560 2.584 2.507 2.690 . 0 0 "[ . 1 . 2]" 1
2268 1 87 TYR H 1 87 TYR HB3 . . 3.940 3.733 3.691 3.800 . 0 0 "[ . 1 . 2]" 1
2269 1 87 TYR H 1 87 TYR QD . . 3.600 2.270 2.104 2.444 . 0 0 "[ . 1 . 2]" 1
2270 1 87 TYR H 1 87 TYR QE . . 5.500 4.502 4.360 4.649 . 0 0 "[ . 1 . 2]" 1
2271 1 87 TYR HA 1 87 TYR QD . . 4.060 3.177 3.136 3.206 . 0 0 "[ . 1 . 2]" 1
2272 1 87 TYR HA 1 88 LYS H . . 3.040 2.476 2.450 2.516 . 0 0 "[ . 1 . 2]" 1
2273 1 87 TYR HB2 1 88 LYS H . . 3.500 3.445 3.375 3.500 0.000 17 0 "[ . 1 . 2]" 1
2274 1 87 TYR HB3 1 88 LYS H . . 3.370 2.280 2.183 2.334 . 0 0 "[ . 1 . 2]" 1
2275 1 87 TYR QD 1 88 LYS H . . 4.140 3.861 3.675 3.953 . 0 0 "[ . 1 . 2]" 1
2276 1 88 LYS H 1 88 LYS HB3 . . 3.500 2.843 2.805 2.871 . 0 0 "[ . 1 . 2]" 1
2277 1 88 LYS H 1 88 LYS HG2 . . 4.600 4.373 4.338 4.408 . 0 0 "[ . 1 . 2]" 1
2278 1 88 LYS HA 1 89 PHE H . . 3.010 2.176 2.149 2.217 . 0 0 "[ . 1 . 2]" 1
2279 1 88 LYS HB2 1 88 LYS HD2 . . 3.930 2.762 2.662 2.970 . 0 0 "[ . 1 . 2]" 1
2280 1 88 LYS HB2 1 88 LYS QE . . 4.690 3.744 3.525 4.147 . 0 0 "[ . 1 . 2]" 1
2281 1 88 LYS HB2 1 89 PHE H . . 4.160 4.084 4.004 4.159 . 0 0 "[ . 1 . 2]" 1
2282 1 88 LYS HB3 1 88 LYS HD2 . . 4.150 2.355 2.149 2.796 . 0 0 "[ . 1 . 2]" 1
2283 1 88 LYS HB3 1 89 PHE H . . 4.430 4.186 4.058 4.289 . 0 0 "[ . 1 . 2]" 1
2284 1 88 LYS QE 1 88 LYS HG3 . . 3.270 2.188 2.024 2.557 . 0 0 "[ . 1 . 2]" 1
2285 1 88 LYS HE2 1 88 LYS HG3 . . 3.770 2.379 2.054 2.788 . 0 0 "[ . 1 . 2]" 1
2286 1 88 LYS HE3 1 88 LYS HG3 . . 3.770 2.889 2.211 3.573 . 0 0 "[ . 1 . 2]" 1
2287 1 88 LYS HG2 1 89 PHE H . . 4.180 2.561 2.246 2.790 . 0 0 "[ . 1 . 2]" 1
2288 1 88 LYS HG3 1 89 PHE H . . 3.920 3.427 3.287 3.688 . 0 0 "[ . 1 . 2]" 1
2289 1 89 PHE H 1 89 PHE HB2 . . 3.310 2.469 2.423 2.531 . 0 0 "[ . 1 . 2]" 1
2290 1 89 PHE H 1 89 PHE HB3 . . 3.700 3.601 3.593 3.610 . 0 0 "[ . 1 . 2]" 1
2291 1 89 PHE H 1 89 PHE QD . . 3.670 2.436 2.209 2.650 . 0 0 "[ . 1 . 2]" 1
2292 1 89 PHE HA 1 89 PHE QD . . 3.810 2.779 2.610 2.963 . 0 0 "[ . 1 . 2]" 1
2293 1 89 PHE HA 1 90 GLY H . . 2.940 2.162 2.147 2.182 . 0 0 "[ . 1 . 2]" 1
2294 1 89 PHE HA 1 93 ALA H . . 5.500 5.372 5.171 5.485 . 0 0 "[ . 1 . 2]" 1
2295 1 89 PHE HA 1 93 ALA MB . . 4.120 3.629 3.384 3.789 . 0 0 "[ . 1 . 2]" 1
2296 1 89 PHE HB2 1 90 GLY H . . 4.530 4.194 4.101 4.286 . 0 0 "[ . 1 . 2]" 1
2297 1 89 PHE HB2 1 96 TRP HE1 . . 4.040 2.859 2.588 3.324 . 0 0 "[ . 1 . 2]" 1
2298 1 89 PHE HB2 1 96 TRP HZ2 . . 4.710 3.573 3.191 4.011 . 0 0 "[ . 1 . 2]" 1
2299 1 89 PHE HB3 1 90 GLY H . . 3.960 3.263 3.127 3.390 . 0 0 "[ . 1 . 2]" 1
2300 1 89 PHE HB3 1 93 ALA MB . . 3.560 2.250 1.933 2.433 . 0 0 "[ . 1 . 2]" 1
2301 1 89 PHE HB3 1 96 TRP QB . . 5.340 4.938 4.305 5.304 . 0 0 "[ . 1 . 2]" 1
2302 1 89 PHE HB3 1 96 TRP HE1 . . 4.280 2.467 2.115 2.894 . 0 0 "[ . 1 . 2]" 1
2303 1 89 PHE QD 1 90 GLY H . . 4.270 4.064 3.950 4.260 . 0 0 "[ . 1 . 2]" 1
2304 1 89 PHE QD 1 93 ALA MB . . 3.260 2.694 2.218 3.027 . 0 0 "[ . 1 . 2]" 1
2305 1 90 GLY H 1 91 LYS H . . 4.390 4.267 4.192 4.360 . 0 0 "[ . 1 . 2]" 1
2306 1 90 GLY H 1 93 ALA H . . 4.190 4.027 3.861 4.144 . 0 0 "[ . 1 . 2]" 1
2307 1 90 GLY H 1 93 ALA MB . . 3.440 3.318 3.132 3.424 . 0 0 "[ . 1 . 2]" 1
2308 1 90 GLY HA2 1 91 LYS H . . 3.260 2.919 2.823 2.977 . 0 0 "[ . 1 . 2]" 1
2309 1 90 GLY HA2 1 92 ASN H . . 4.660 4.565 4.452 4.658 . 0 0 "[ . 1 . 2]" 1
2310 1 90 GLY HA2 1 93 ALA H . . 5.500 5.163 5.035 5.296 . 0 0 "[ . 1 . 2]" 1
2311 1 90 GLY HA3 1 91 LYS H . . 3.250 2.265 2.227 2.331 . 0 0 "[ . 1 . 2]" 1
2312 1 90 GLY HA3 1 91 LYS HA . . 4.800 4.454 4.436 4.494 . 0 0 "[ . 1 . 2]" 1
2313 1 90 GLY HA3 1 92 ASN H . . 4.110 3.309 3.191 3.439 . 0 0 "[ . 1 . 2]" 1
2314 1 91 LYS H 1 91 LYS HB2 . . 3.710 3.620 2.961 3.675 . 0 0 "[ . 1 . 2]" 1
2315 1 91 LYS H 1 91 LYS QB . . 3.070 2.682 2.570 2.824 . 0 0 "[ . 1 . 2]" 1
2316 1 91 LYS H 1 91 LYS HB3 . . 3.710 2.791 2.624 3.564 . 0 0 "[ . 1 . 2]" 1
2317 1 91 LYS H 1 91 LYS HD2 . . 4.490 3.559 2.377 4.483 . 0 0 "[ . 1 . 2]" 1
2318 1 91 LYS H 1 91 LYS QD . . 3.870 2.901 1.934 3.869 . 0 0 "[ . 1 . 2]" 1
2319 1 91 LYS H 1 91 LYS HD3 . . 4.490 3.192 1.995 4.434 . 0 0 "[ . 1 . 2]" 1
2320 1 91 LYS H 1 91 LYS HG2 . . 3.870 2.248 1.940 3.227 . 0 0 "[ . 1 . 2]" 1
2321 1 91 LYS H 1 91 LYS QG . . 3.380 2.171 1.907 2.703 . 0 0 "[ . 1 . 2]" 1
2322 1 91 LYS H 1 91 LYS HG3 . . 3.870 3.535 2.154 3.860 . 0 0 "[ . 1 . 2]" 1
2323 1 91 LYS H 1 92 ASN H . . 3.390 2.228 2.170 2.346 . 0 0 "[ . 1 . 2]" 1
2324 1 91 LYS H 1 93 ALA H . . 4.560 4.066 3.973 4.141 . 0 0 "[ . 1 . 2]" 1
2325 1 91 LYS HA 1 93 ALA H . . 4.060 3.946 3.778 4.027 . 0 0 "[ . 1 . 2]" 1
2326 1 91 LYS QB 1 93 ALA H . . 5.340 5.002 4.727 5.101 . 0 0 "[ . 1 . 2]" 1
2327 1 91 LYS HB2 1 92 ASN H . . 4.380 4.008 2.929 4.233 . 0 0 "[ . 1 . 2]" 1
2328 1 91 LYS HB3 1 92 ASN H . . 4.380 4.113 4.004 4.245 . 0 0 "[ . 1 . 2]" 1
2329 1 91 LYS QE 1 91 LYS QG . . 3.150 2.094 1.944 2.432 . 0 0 "[ . 1 . 2]" 1
2330 1 91 LYS HG2 1 92 ASN H . . 4.000 2.484 2.181 4.013 0.013 9 0 "[ . 1 . 2]" 1
2331 1 91 LYS HG3 1 92 ASN H . . 4.000 3.594 2.227 3.999 . 0 0 "[ . 1 . 2]" 1
2332 1 92 ASN H 1 92 ASN HB2 . . 3.130 2.131 2.095 2.179 . 0 0 "[ . 1 . 2]" 1
2333 1 92 ASN H 1 92 ASN HB3 . . 3.660 3.439 3.387 3.490 . 0 0 "[ . 1 . 2]" 1
2334 1 92 ASN H 1 92 ASN HD21 . . 4.010 2.505 2.259 2.750 . 0 0 "[ . 1 . 2]" 1
2335 1 92 ASN H 1 92 ASN HD22 . . 4.390 4.169 3.954 4.385 . 0 0 "[ . 1 . 2]" 1
2336 1 92 ASN H 1 93 ALA H . . 2.920 2.603 2.451 2.709 . 0 0 "[ . 1 . 2]" 1
2337 1 92 ASN H 1 93 ALA MB . . 4.630 4.229 4.099 4.410 . 0 0 "[ . 1 . 2]" 1
2338 1 92 ASN HB2 1 92 ASN HD21 . . 3.460 2.536 2.280 2.665 . 0 0 "[ . 1 . 2]" 1
2339 1 92 ASN HB2 1 92 ASN HD22 . . 3.670 3.605 3.499 3.662 . 0 0 "[ . 1 . 2]" 1
2340 1 92 ASN HB2 1 93 ALA H . . 4.110 3.092 3.032 3.204 . 0 0 "[ . 1 . 2]" 1
2341 1 92 ASN HB3 1 93 ALA H . . 4.310 3.389 3.238 3.610 . 0 0 "[ . 1 . 2]" 1
2342 1 93 ALA H 1 93 ALA MB . . 2.840 2.110 2.041 2.255 . 0 0 "[ . 1 . 2]" 1
2343 1 93 ALA H 1 94 HIS H . . 4.750 4.569 4.317 4.631 . 0 0 "[ . 1 . 2]" 1
2344 1 93 ALA H 1 96 TRP HE1 . . 4.610 4.075 3.760 4.358 . 0 0 "[ . 1 . 2]" 1
2345 1 93 ALA H 1 97 GLN QE . . 5.340 4.550 4.098 5.068 . 0 0 "[ . 1 . 2]" 1
2346 1 93 ALA HA 1 94 HIS H . . 3.040 2.296 2.153 2.564 . 0 0 "[ . 1 . 2]" 1
2347 1 93 ALA HA 1 94 HIS HD2 . . 5.310 3.996 2.857 5.280 . 0 0 "[ . 1 . 2]" 1
2348 1 93 ALA HA 1 96 TRP HE1 . . 5.190 4.878 4.584 5.153 . 0 0 "[ . 1 . 2]" 1
2349 1 93 ALA MB 1 94 HIS H . . 3.440 2.785 2.206 3.427 . 0 0 "[ . 1 . 2]" 1
2350 1 93 ALA MB 1 94 HIS HA . . 4.630 3.922 3.678 4.239 . 0 0 "[ . 1 . 2]" 1
2351 1 93 ALA MB 1 96 TRP H . . 4.570 4.381 4.207 4.534 . 0 0 "[ . 1 . 2]" 1
2352 1 93 ALA MB 1 96 TRP HD1 . . 3.810 2.573 2.204 3.069 . 0 0 "[ . 1 . 2]" 1
2353 1 93 ALA MB 1 96 TRP HE1 . . 3.900 2.306 1.896 2.657 . 0 0 "[ . 1 . 2]" 1
2354 1 93 ALA MB 1 97 GLN QE . . 5.180 4.014 3.650 4.384 . 0 0 "[ . 1 . 2]" 1
2355 1 94 HIS H 1 94 HIS QB . . 3.660 3.114 2.877 3.325 . 0 0 "[ . 1 . 2]" 1
2356 1 94 HIS H 1 94 HIS HD2 . . 4.490 3.234 2.242 4.407 . 0 0 "[ . 1 . 2]" 1
2357 1 94 HIS HA 1 96 TRP H . . 4.020 3.651 3.336 3.915 . 0 0 "[ . 1 . 2]" 1
2358 1 94 HIS HA 1 96 TRP HE1 . . 4.750 4.357 3.651 4.728 . 0 0 "[ . 1 . 2]" 1
2359 1 94 HIS HA 1 97 GLN HE21 . . 4.730 3.236 2.659 4.247 . 0 0 "[ . 1 . 2]" 1
2360 1 94 HIS HA 1 97 GLN QE . . 4.110 3.002 2.496 3.577 . 0 0 "[ . 1 . 2]" 1
2361 1 94 HIS HA 1 97 GLN HE22 . . 4.730 3.722 2.871 4.261 . 0 0 "[ . 1 . 2]" 1
2362 1 96 TRP H 1 96 TRP HB2 . . 3.780 3.623 3.593 3.646 . 0 0 "[ . 1 . 2]" 1
2363 1 96 TRP H 1 96 TRP HB3 . . 3.780 2.575 2.418 2.753 . 0 0 "[ . 1 . 2]" 1
2364 1 96 TRP H 1 96 TRP HD1 . . 3.260 2.456 2.149 2.710 . 0 0 "[ . 1 . 2]" 1
2365 1 96 TRP H 1 96 TRP HE1 . . 4.880 4.474 4.154 4.752 . 0 0 "[ . 1 . 2]" 1
2366 1 96 TRP H 1 97 GLN H . . 2.810 2.465 2.344 2.568 . 0 0 "[ . 1 . 2]" 1
2367 1 96 TRP H 1 97 GLN QB . . 4.520 4.151 3.965 4.342 . 0 0 "[ . 1 . 2]" 1
2368 1 96 TRP H 1 97 GLN QG . . 5.330 5.035 4.448 5.319 . 0 0 "[ . 1 . 2]" 1
2369 1 96 TRP QB 1 96 TRP HE3 . . 3.710 2.568 2.465 2.653 . 0 0 "[ . 1 . 2]" 1
2370 1 96 TRP HD1 1 97 GLN H . . 4.510 3.420 3.174 3.571 . 0 0 "[ . 1 . 2]" 1
2371 1 96 TRP HE1 1 97 GLN HE21 . . 4.430 3.170 2.494 4.431 0.001 20 0 "[ . 1 . 2]" 1
2372 1 96 TRP HE1 1 97 GLN QE . . 3.850 3.058 2.451 3.830 . 0 0 "[ . 1 . 2]" 1
2373 1 96 TRP HE1 1 97 GLN HE22 . . 4.430 4.188 3.574 4.431 0.001 18 0 "[ . 1 . 2]" 1
2374 1 96 TRP HE3 1 97 GLN HA . . 3.950 2.988 2.565 3.504 . 0 0 "[ . 1 . 2]" 1
2375 1 96 TRP HZ2 1 97 GLN HE21 . . 4.800 3.639 2.656 4.250 . 0 0 "[ . 1 . 2]" 1
2376 1 96 TRP HZ2 1 97 GLN QE . . 3.960 3.460 2.603 3.960 0.000 9 0 "[ . 1 . 2]" 1
2377 1 96 TRP HZ2 1 97 GLN HE22 . . 4.800 4.379 3.645 4.800 . 0 0 "[ . 1 . 2]" 1
2378 1 96 TRP HZ3 1 97 GLN HA . . 4.060 3.394 3.004 4.051 . 0 0 "[ . 1 . 2]" 1
2379 1 97 GLN H 1 97 GLN HB2 . . 3.430 2.515 2.087 3.534 0.104 20 0 "[ . 1 . 2]" 1
2380 1 97 GLN H 1 97 GLN QB . . 2.920 2.104 2.068 2.230 . 0 0 "[ . 1 . 2]" 1
2381 1 97 GLN H 1 97 GLN HB3 . . 3.430 3.034 2.139 3.431 0.001 17 0 "[ . 1 . 2]" 1
2382 1 97 GLN H 1 97 GLN QE . . 4.680 3.218 2.703 3.663 . 0 0 "[ . 1 . 2]" 1
2383 1 97 GLN H 1 97 GLN HG2 . . 4.500 3.944 3.097 4.358 . 0 0 "[ . 1 . 2]" 1
2384 1 97 GLN H 1 97 GLN QG . . 3.690 3.121 3.026 3.229 . 0 0 "[ . 1 . 2]" 1
2385 1 97 GLN H 1 97 GLN HG3 . . 4.500 3.546 3.119 4.290 . 0 0 "[ . 1 . 2]" 1
2386 1 97 GLN HA 1 97 GLN HG2 . . 4.060 2.936 2.487 3.629 . 0 0 "[ . 1 . 2]" 1
2387 1 97 GLN HA 1 97 GLN QG . . 3.570 2.521 2.161 3.308 . 0 0 "[ . 1 . 2]" 1
2388 1 97 GLN HA 1 97 GLN HG3 . . 4.060 2.777 2.249 3.986 . 0 0 "[ . 1 . 2]" 1
2389 1 97 GLN HA 1 98 GLU H . . 3.050 2.340 2.255 2.481 . 0 0 "[ . 1 . 2]" 1
2390 1 97 GLN QB 1 98 GLU H . . 3.490 2.776 2.428 2.977 . 0 0 "[ . 1 . 2]" 1
2391 1 97 GLN HB2 1 98 GLU H . . 4.210 3.712 2.454 4.211 0.001 19 0 "[ . 1 . 2]" 1
2392 1 97 GLN HB3 1 98 GLU H . . 4.210 3.199 2.483 4.207 . 0 0 "[ . 1 . 2]" 1
2393 1 97 GLN QE 1 97 GLN QG . . 2.950 2.399 2.168 2.588 . 0 0 "[ . 1 . 2]" 1
2394 1 97 GLN QG 1 98 GLU H . . 4.620 2.977 2.757 3.246 . 0 0 "[ . 1 . 2]" 1
2395 1 98 GLU H 1 98 GLU HB2 . . 3.720 2.680 2.069 3.723 0.003 20 0 "[ . 1 . 2]" 1
2396 1 98 GLU H 1 98 GLU QB . . 3.090 2.441 2.045 2.990 . 0 0 "[ . 1 . 2]" 1
2397 1 98 GLU H 1 98 GLU HB3 . . 3.720 3.166 2.566 3.699 . 0 0 "[ . 1 . 2]" 1
2398 1 98 GLU H 1 98 GLU HG2 . . 5.500 4.314 2.007 5.088 . 0 0 "[ . 1 . 2]" 1
2399 1 98 GLU H 1 98 GLU QG . . 4.760 3.730 1.977 4.275 . 0 0 "[ . 1 . 2]" 1
2400 1 98 GLU H 1 98 GLU HG3 . . 5.500 4.207 2.977 5.146 . 0 0 "[ . 1 . 2]" 1
2401 1 98 GLU HA 1 98 GLU HG2 . . 4.230 3.001 2.052 3.684 . 0 0 "[ . 1 . 2]" 1
2402 1 98 GLU HA 1 98 GLU QG . . 3.620 2.362 2.005 3.426 . 0 0 "[ . 1 . 2]" 1
2403 1 98 GLU HA 1 98 GLU HG3 . . 4.230 2.771 2.023 4.219 . 0 0 "[ . 1 . 2]" 1
2404 1 98 GLU HA 1 99 ASP H . . 3.170 2.317 2.139 2.739 . 0 0 "[ . 1 . 2]" 1
2405 1 98 GLU QB 1 99 ASP H . . 4.020 3.279 2.702 4.030 0.010 20 0 "[ . 1 . 2]" 1
2406 1 98 GLU HB2 1 99 ASP H . . 4.670 4.164 2.894 4.642 . 0 0 "[ . 1 . 2]" 1
2407 1 98 GLU HB3 1 99 ASP H . . 4.670 3.529 2.745 4.649 . 0 0 "[ . 1 . 2]" 1
2408 1 98 GLU HG2 1 99 ASP H . . 5.500 3.547 1.979 4.657 . 0 0 "[ . 1 . 2]" 1
2409 1 98 GLU HG3 1 99 ASP H . . 5.500 3.656 1.993 5.058 . 0 0 "[ . 1 . 2]" 1
2410 1 99 ASP H 1 99 ASP HB2 . . 4.120 3.300 2.195 4.040 . 0 0 "[ . 1 . 2]" 1
2411 1 99 ASP H 1 99 ASP QB . . 3.550 2.957 2.155 3.392 . 0 0 "[ . 1 . 2]" 1
2412 1 99 ASP H 1 99 ASP HB3 . . 4.120 3.569 2.592 4.075 . 0 0 "[ . 1 . 2]" 1
2413 1 99 ASP HA 1 100 LYS H . . 2.820 2.350 2.147 2.573 . 0 0 "[ . 1 . 2]" 1
2414 1 99 ASP QB 1 100 LYS H . . 3.490 2.758 2.086 3.301 . 0 0 "[ . 1 . 2]" 1
2415 1 99 ASP HB2 1 100 LYS H . . 4.250 3.545 2.288 4.128 . 0 0 "[ . 1 . 2]" 1
2416 1 99 ASP HB3 1 100 LYS H . . 4.250 3.171 2.111 4.169 . 0 0 "[ . 1 . 2]" 1
2417 1 100 LYS H 1 100 LYS HB2 . . 3.780 2.501 2.060 3.126 . 0 0 "[ . 1 . 2]" 1
2418 1 100 LYS H 1 100 LYS QB . . 3.050 2.435 2.039 2.948 . 0 0 "[ . 1 . 2]" 1
2419 1 100 LYS H 1 100 LYS HB3 . . 3.780 3.494 3.083 3.780 0.000 2 0 "[ . 1 . 2]" 1
2420 1 100 LYS H 1 100 LYS HG2 . . 5.310 4.342 2.758 4.958 . 0 0 "[ . 1 . 2]" 1
2421 1 100 LYS H 1 100 LYS QG . . 4.640 3.568 2.565 4.165 . 0 0 "[ . 1 . 2]" 1
2422 1 100 LYS H 1 100 LYS HG3 . . 5.310 3.833 2.787 4.634 . 0 0 "[ . 1 . 2]" 1
2423 1 100 LYS HA 1 100 LYS HD2 . . 5.460 4.086 2.468 4.665 . 0 0 "[ . 1 . 2]" 1
2424 1 100 LYS HA 1 100 LYS QD . . 4.620 3.632 2.432 4.125 . 0 0 "[ . 1 . 2]" 1
2425 1 100 LYS HA 1 100 LYS HD3 . . 5.460 4.200 3.367 4.798 . 0 0 "[ . 1 . 2]" 1
2426 1 100 LYS HA 1 101 LEU H . . 2.950 2.342 2.140 2.640 . 0 0 "[ . 1 . 2]" 1
2427 1 100 LYS QB 1 101 LEU H . . 3.990 3.141 2.127 3.991 0.001 6 0 "[ . 1 . 2]" 1
2428 1 100 LYS QB 1 101 LEU HA . . 4.390 4.162 3.800 4.390 0.000 16 0 "[ . 1 . 2]" 1
2429 1 100 LYS QG 1 101 LEU H . . 4.570 3.423 1.954 4.285 . 0 0 "[ . 1 . 2]" 1
2430 1 100 LYS HG2 1 101 LEU H . . 5.320 3.862 1.979 5.164 . 0 0 "[ . 1 . 2]" 1
2431 1 100 LYS HG3 1 101 LEU H . . 5.320 4.170 2.799 5.091 . 0 0 "[ . 1 . 2]" 1
2432 1 101 LEU H 1 101 LEU QB . . 3.010 2.692 2.088 3.010 . 0 0 "[ . 1 . 2]" 1
2433 1 101 LEU H 1 101 LEU QD . . 4.480 3.247 1.964 4.148 . 0 0 "[ . 1 . 2]" 1
2434 1 101 LEU H 1 101 LEU HG . . 4.380 3.424 1.926 4.370 . 0 0 "[ . 1 . 2]" 1
2435 1 101 LEU HA 1 101 LEU QD . . 3.530 2.891 2.193 3.442 . 0 0 "[ . 1 . 2]" 1
2436 1 101 LEU HA 1 101 LEU HG . . 3.900 3.012 2.168 3.693 . 0 0 "[ . 1 . 2]" 1
2437 1 101 LEU QB 1 102 SER H . . 4.210 3.169 2.278 4.041 . 0 0 "[ . 1 . 2]" 1
2438 1 101 LEU HB2 1 102 SER H . . 4.780 3.839 2.719 4.482 . 0 0 "[ . 1 . 2]" 1
2439 1 101 LEU HB3 1 102 SER H . . 4.780 3.670 2.298 4.600 . 0 0 "[ . 1 . 2]" 1
2440 1 102 SER HB2 1 103 GLY H . . 5.460 3.995 2.222 4.659 . 0 0 "[ . 1 . 2]" 1
2441 1 102 SER HB3 1 103 GLY H . . 5.460 3.530 2.158 4.417 . 0 0 "[ . 1 . 2]" 1
2442 1 103 GLY QA 1 104 PRO QD . . 2.940 1.973 1.905 2.035 . 0 0 "[ . 1 . 2]" 1
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