NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
502173 |
2l9r   |
17484 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l9r
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 1499
_Distance_constraint_stats_list.Viol_count 276
_Distance_constraint_stats_list.Viol_total 405.311
_Distance_constraint_stats_list.Viol_max 0.331
_Distance_constraint_stats_list.Viol_rms 0.0095
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0734
_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 10 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 MET 0.602 0.128 11 0 "[ . 1 . 2]"
1 12 SER 0.038 0.038 12 0 "[ . 1 . 2]"
1 13 HIS 0.834 0.139 16 0 "[ . 1 . 2]"
1 14 THR 0.695 0.212 8 0 "[ . 1 . 2]"
1 15 GLN 0.917 0.128 11 0 "[ . 1 . 2]"
1 16 VAL 0.209 0.059 9 0 "[ . 1 . 2]"
1 17 ILE 0.611 0.212 8 0 "[ . 1 . 2]"
1 18 GLU 0.010 0.010 15 0 "[ . 1 . 2]"
1 19 LEU 0.335 0.059 9 0 "[ . 1 . 2]"
1 20 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 LYS 1.254 0.143 8 0 "[ . 1 . 2]"
1 23 PHE 0.443 0.178 9 0 "[ . 1 . 2]"
1 24 SER 0.054 0.054 13 0 "[ . 1 . 2]"
1 25 HIS 0.327 0.143 8 0 "[ . 1 . 2]"
1 26 GLN 1.804 0.155 10 0 "[ . 1 . 2]"
1 27 LYS 3.186 0.227 15 0 "[ . 1 . 2]"
1 28 TYR 1.419 0.227 15 0 "[ . 1 . 2]"
1 29 LEU 0.195 0.083 19 0 "[ . 1 . 2]"
1 30 SER 0.420 0.078 11 0 "[ . 1 . 2]"
1 31 ALA 0.264 0.062 1 0 "[ . 1 . 2]"
1 32 PRO 0.264 0.062 1 0 "[ . 1 . 2]"
1 33 GLU 0.527 0.115 7 0 "[ . 1 . 2]"
1 34 ARG 0.426 0.078 11 0 "[ . 1 . 2]"
1 35 ALA 0.741 0.094 14 0 "[ . 1 . 2]"
1 36 HIS 1.328 0.182 16 0 "[ . 1 . 2]"
1 37 LEU 1.895 0.094 14 0 "[ . 1 . 2]"
1 38 ALA 0.046 0.046 9 0 "[ . 1 . 2]"
1 39 LYS 1.059 0.182 16 0 "[ . 1 . 2]"
1 40 ASN 0.404 0.088 8 0 "[ . 1 . 2]"
1 41 LEU 0.580 0.121 4 0 "[ . 1 . 2]"
1 42 LYS 2.840 0.231 9 0 "[ . 1 . 2]"
1 43 LEU 0.132 0.036 20 0 "[ . 1 . 2]"
1 44 THR 0.030 0.019 20 0 "[ . 1 . 2]"
1 45 GLU 0.120 0.046 9 0 "[ . 1 . 2]"
1 46 THR 0.579 0.111 2 0 "[ . 1 . 2]"
1 47 GLN 0.208 0.123 1 0 "[ . 1 . 2]"
1 48 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LYS 1.016 0.208 2 0 "[ . 1 . 2]"
1 50 ILE 0.530 0.208 2 0 "[ . 1 . 2]"
1 51 TRP 3.981 0.331 13 0 "[ . 1 . 2]"
1 52 PHE 0.078 0.061 18 0 "[ . 1 . 2]"
1 53 GLN 0.213 0.120 16 0 "[ . 1 . 2]"
1 54 ASN 0.111 0.054 2 0 "[ . 1 . 2]"
1 55 ARG 4.111 0.331 13 0 "[ . 1 . 2]"
1 56 ARG 0.989 0.213 15 0 "[ . 1 . 2]"
1 57 TYR 0.447 0.234 2 0 "[ . 1 . 2]"
1 58 LYS 0.344 0.234 2 0 "[ . 1 . 2]"
1 59 THR 0.059 0.059 8 0 "[ . 1 . 2]"
1 60 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LEU 0.483 0.237 20 0 "[ . 1 . 2]"
1 65 SER 0.483 0.237 20 0 "[ . 1 . 2]"
1 66 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 GLU 0.006 0.006 4 0 "[ . 1 . 2]"
1 68 LEU 0.081 0.032 6 0 "[ . 1 . 2]"
1 69 GLY 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 10 HIS HB3 1 11 MET H 5.230 . 5.750 3.585 1.936 4.542 . 0 0 "[ . 1 . 2]" 1
2 1 11 MET H 1 11 MET HG3 4.840 . 5.320 3.131 2.100 3.551 . 0 0 "[ . 1 . 2]" 1
3 1 11 MET HB3 1 12 SER H 4.090 . 4.500 2.620 2.350 3.195 . 0 0 "[ . 1 . 2]" 1
4 1 13 HIS HB2 1 14 THR H 3.950 . 4.350 3.815 3.710 3.960 . 0 0 "[ . 1 . 2]" 1
5 1 13 HIS HB3 1 14 THR H 3.950 . 4.350 2.449 2.234 2.678 . 0 0 "[ . 1 . 2]" 1
6 1 14 THR MG 1 15 GLN H 4.470 . 4.920 3.725 3.587 3.927 . 0 0 "[ . 1 . 2]" 1
7 1 15 GLN H 1 16 VAL H 3.440 . 3.780 2.730 2.612 2.801 . 0 0 "[ . 1 . 2]" 1
8 1 15 GLN HB3 1 16 VAL H 4.050 . 4.460 2.572 2.445 2.735 . 0 0 "[ . 1 . 2]" 1
9 1 15 GLN HB2 1 16 VAL H 4.280 . 4.710 3.906 3.813 4.040 . 0 0 "[ . 1 . 2]" 1
10 1 16 VAL HB 1 17 ILE H 3.310 . 3.640 2.784 2.560 3.029 . 0 0 "[ . 1 . 2]" 1
11 1 16 VAL MG1 1 17 ILE H 3.620 . 3.980 3.531 3.360 3.729 . 0 0 "[ . 1 . 2]" 1
12 1 17 ILE HB 1 18 GLU H 3.720 . 4.090 2.588 2.424 2.780 . 0 0 "[ . 1 . 2]" 1
13 1 17 ILE MG 1 18 GLU H 4.030 . 4.430 3.373 3.188 3.601 . 0 0 "[ . 1 . 2]" 1
14 1 17 ILE MD 1 18 GLU H 4.830 . 5.310 4.640 4.532 4.801 . 0 0 "[ . 1 . 2]" 1
15 1 18 GLU H 1 19 LEU H 3.450 . 3.790 2.737 2.685 2.850 . 0 0 "[ . 1 . 2]" 1
16 1 18 GLU HB2 1 19 LEU H 3.640 . 4.000 2.533 2.371 2.715 . 0 0 "[ . 1 . 2]" 1
17 1 18 GLU HG2 1 19 LEU H 5.190 . 5.710 4.283 3.954 4.669 . 0 0 "[ . 1 . 2]" 1
18 1 19 LEU H 1 20 GLU H 3.450 . 3.790 2.762 2.705 2.807 . 0 0 "[ . 1 . 2]" 1
19 1 19 LEU HB2 1 20 GLU H 3.730 . 4.100 2.712 2.556 2.838 . 0 0 "[ . 1 . 2]" 1
20 1 19 LEU HB3 1 20 GLU H 4.410 . 4.850 3.599 3.447 3.780 . 0 0 "[ . 1 . 2]" 1
21 1 19 LEU HG 1 20 GLU H 4.890 . 5.380 4.616 4.509 4.726 . 0 0 "[ . 1 . 2]" 1
22 1 19 LEU MD1 1 20 GLU H 4.770 . 5.250 4.553 4.415 4.637 . 0 0 "[ . 1 . 2]" 1
23 1 20 GLU H 1 21 ARG H 3.370 . 3.710 2.629 2.568 2.707 . 0 0 "[ . 1 . 2]" 1
24 1 20 GLU HB2 1 21 ARG H 3.770 . 4.150 2.851 2.595 3.037 . 0 0 "[ . 1 . 2]" 1
25 1 20 GLU HB3 1 21 ARG H 3.770 . 4.150 3.698 3.459 3.856 . 0 0 "[ . 1 . 2]" 1
26 1 20 GLU HG2 1 21 ARG H 5.000 . 5.500 5.063 4.549 5.297 . 0 0 "[ . 1 . 2]" 1
27 1 20 GLU HG3 1 21 ARG H 5.000 . 5.500 4.689 4.420 5.058 . 0 0 "[ . 1 . 2]" 1
28 1 21 ARG HG2 1 22 LYS H 5.130 . 5.640 5.057 4.825 5.177 . 0 0 "[ . 1 . 2]" 1
29 1 21 ARG HG3 1 22 LYS H 5.130 . 5.640 4.446 4.001 5.080 . 0 0 "[ . 1 . 2]" 1
30 1 22 LYS HB2 1 23 PHE H 4.460 . 4.910 3.820 3.616 3.899 . 0 0 "[ . 1 . 2]" 1
31 1 22 LYS HB3 1 23 PHE H 4.460 . 4.910 2.636 2.528 2.760 . 0 0 "[ . 1 . 2]" 1
32 1 23 PHE H 1 24 SER H 3.940 . 4.330 2.709 2.631 2.783 . 0 0 "[ . 1 . 2]" 1
33 1 23 PHE HB2 1 24 SER H 4.400 . 4.840 3.910 3.816 3.980 . 0 0 "[ . 1 . 2]" 1
34 1 23 PHE HB3 1 24 SER H 4.400 . 4.840 2.682 2.533 2.851 . 0 0 "[ . 1 . 2]" 1
35 1 25 HIS H 1 26 GLN H 3.280 . 3.610 2.464 2.304 2.586 . 0 0 "[ . 1 . 2]" 1
36 1 25 HIS HB2 1 26 GLN H 4.080 . 4.490 3.001 2.488 3.950 . 0 0 "[ . 1 . 2]" 1
37 1 25 HIS HB3 1 26 GLN H 4.080 . 4.490 3.458 2.588 3.919 . 0 0 "[ . 1 . 2]" 1
38 1 26 GLN H 1 27 LYS H 4.640 . 5.100 4.244 4.118 4.335 . 0 0 "[ . 1 . 2]" 1
39 1 26 GLN HA 1 27 LYS H 2.840 . 3.120 2.174 2.117 2.242 . 0 0 "[ . 1 . 2]" 1
40 1 26 GLN HB2 1 27 LYS H 3.770 . 4.150 3.099 2.744 3.385 . 0 0 "[ . 1 . 2]" 1
41 1 26 GLN HG3 1 27 LYS H 4.170 . 4.590 4.293 4.120 4.409 . 0 0 "[ . 1 . 2]" 1
42 1 28 TYR H 1 29 LEU H 5.190 . 5.710 4.341 4.124 4.528 . 0 0 "[ . 1 . 2]" 1
43 1 29 LEU H 1 52 PHE QE 5.890 . 6.480 5.010 4.360 5.872 . 0 0 "[ . 1 . 2]" 1
44 1 28 TYR HA 1 29 LEU H 3.270 . 3.600 2.206 2.143 2.447 . 0 0 "[ . 1 . 2]" 1
45 1 28 TYR HB2 1 29 LEU H 4.380 . 4.820 4.091 2.522 4.396 . 0 0 "[ . 1 . 2]" 1
46 1 28 TYR HB3 1 29 LEU H 4.380 . 4.820 3.433 2.983 3.865 . 0 0 "[ . 1 . 2]" 1
47 1 28 TYR QD 1 29 LEU H 4.850 . 5.330 4.313 3.748 4.715 . 0 0 "[ . 1 . 2]" 1
48 1 29 LEU HA 1 30 SER H 3.040 . 3.340 2.242 2.176 2.353 . 0 0 "[ . 1 . 2]" 1
49 1 29 LEU HB3 1 30 SER H 3.920 . 4.310 2.982 2.507 3.353 . 0 0 "[ . 1 . 2]" 1
50 1 29 LEU HB2 1 30 SER H 4.320 . 4.750 3.995 3.642 4.250 . 0 0 "[ . 1 . 2]" 1
51 1 29 LEU MD2 1 30 SER H 4.050 . 4.460 3.638 3.206 3.841 . 0 0 "[ . 1 . 2]" 1
52 1 30 SER HB2 1 31 ALA H 4.390 . 4.830 3.549 3.361 3.725 . 0 0 "[ . 1 . 2]" 1
53 1 30 SER HB3 1 31 ALA H 4.390 . 4.830 2.428 2.210 2.626 . 0 0 "[ . 1 . 2]" 1
54 1 32 PRO HG2 1 33 GLU H 4.840 . 5.320 2.915 2.131 4.122 . 0 0 "[ . 1 . 2]" 1
55 1 32 PRO HG3 1 33 GLU H 4.840 . 5.320 4.147 3.773 4.617 . 0 0 "[ . 1 . 2]" 1
56 1 32 PRO HD3 1 33 GLU H 4.300 . 4.730 4.168 3.989 4.281 . 0 0 "[ . 1 . 2]" 1
57 1 33 GLU H 1 34 ARG H 3.330 . 3.660 2.674 2.516 2.809 . 0 0 "[ . 1 . 2]" 1
58 1 34 ARG H 1 34 ARG HB2 3.060 . 3.370 2.500 2.412 2.716 . 0 0 "[ . 1 . 2]" 1
59 1 33 GLU HB2 1 34 ARG H 3.460 . 3.810 2.715 2.488 3.238 . 0 0 "[ . 1 . 2]" 1
60 1 34 ARG H 1 35 ALA H 3.180 . 3.500 2.618 2.503 2.702 . 0 0 "[ . 1 . 2]" 1
61 1 34 ARG HB3 1 35 ALA H 3.370 . 3.710 2.584 2.437 2.753 . 0 0 "[ . 1 . 2]" 1
62 1 34 ARG HB2 1 35 ALA H 4.050 . 4.460 3.855 3.762 4.058 . 0 0 "[ . 1 . 2]" 1
63 1 34 ARG HG2 1 35 ALA H 4.170 . 4.590 3.873 3.517 4.097 . 0 0 "[ . 1 . 2]" 1
64 1 34 ARG HG3 1 35 ALA H 4.640 . 5.100 4.813 4.547 4.957 . 0 0 "[ . 1 . 2]" 1
65 1 35 ALA H 1 36 HIS H 3.260 . 3.590 2.675 2.557 2.790 . 0 0 "[ . 1 . 2]" 1
66 1 35 ALA MB 1 36 HIS H 3.030 . 3.330 2.568 2.412 2.739 . 0 0 "[ . 1 . 2]" 1
67 1 37 LEU HB2 1 38 ALA H 3.930 . 4.320 3.894 3.793 3.967 . 0 0 "[ . 1 . 2]" 1
68 1 37 LEU HB3 1 38 ALA H 3.290 . 3.620 2.670 2.570 2.774 . 0 0 "[ . 1 . 2]" 1
69 1 37 LEU HG 1 38 ALA H 4.230 . 4.650 4.004 3.782 4.192 . 0 0 "[ . 1 . 2]" 1
70 1 38 ALA H 1 39 LYS HG2 4.750 . 5.220 4.339 4.082 4.569 . 0 0 "[ . 1 . 2]" 1
71 1 37 LEU MD2 1 38 ALA H 4.480 . 4.930 4.436 4.303 4.595 . 0 0 "[ . 1 . 2]" 1
72 1 38 ALA H 1 48 VAL MG2 3.590 . 3.950 3.122 2.832 3.440 . 0 0 "[ . 1 . 2]" 1
73 1 38 ALA MB 1 39 LYS H 3.000 . 3.300 2.383 2.243 2.545 . 0 0 "[ . 1 . 2]" 1
74 1 39 LYS HG3 1 40 ASN H 4.360 . 4.800 2.502 2.192 2.915 . 0 0 "[ . 1 . 2]" 1
75 1 39 LYS HG2 1 40 ASN H 4.460 . 4.910 2.749 2.539 2.959 . 0 0 "[ . 1 . 2]" 1
76 1 40 ASN H 1 41 LEU H 2.620 . 2.880 2.724 2.639 2.833 . 0 0 "[ . 1 . 2]" 1
77 1 41 LEU H 1 42 LYS H 3.150 . 3.470 2.473 2.355 2.597 . 0 0 "[ . 1 . 2]" 1
78 1 41 LEU HB2 1 42 LYS H 4.210 . 4.630 3.781 3.656 3.972 . 0 0 "[ . 1 . 2]" 1
79 1 41 LEU HB3 1 42 LYS H 4.560 . 5.020 4.411 4.333 4.469 . 0 0 "[ . 1 . 2]" 1
80 1 41 LEU MD2 1 42 LYS H 4.590 . 5.050 4.664 4.494 4.725 . 0 0 "[ . 1 . 2]" 1
81 1 41 LEU MD1 1 42 LYS H 5.530 . 6.080 5.451 5.364 5.579 . 0 0 "[ . 1 . 2]" 1
82 1 42 LYS HA 1 43 LEU H 3.060 . 3.370 3.015 2.879 3.104 . 0 0 "[ . 1 . 2]" 1
83 1 42 LYS HB3 1 43 LEU H 4.740 . 5.210 4.418 4.319 4.476 . 0 0 "[ . 1 . 2]" 1
84 1 38 ALA MB 1 43 LEU H 3.770 . 4.150 3.856 3.699 4.014 . 0 0 "[ . 1 . 2]" 1
85 1 43 LEU HA 1 44 THR H 3.460 . 3.810 2.545 2.508 2.600 . 0 0 "[ . 1 . 2]" 1
86 1 43 LEU HB2 1 44 THR H 4.180 . 4.600 3.420 3.335 3.479 . 0 0 "[ . 1 . 2]" 1
87 1 43 LEU HB3 1 44 THR H 3.460 . 3.810 2.206 2.143 2.288 . 0 0 "[ . 1 . 2]" 1
88 1 43 LEU HG 1 44 THR H 4.890 . 5.380 4.813 4.728 4.869 . 0 0 "[ . 1 . 2]" 1
89 1 43 LEU MD1 1 44 THR H 4.560 . 5.020 4.288 4.191 4.388 . 0 0 "[ . 1 . 2]" 1
90 1 44 THR HA 1 45 GLU H 3.230 . 3.550 2.357 2.263 2.441 . 0 0 "[ . 1 . 2]" 1
91 1 44 THR HB 1 45 GLU H 3.340 . 3.670 2.621 2.412 2.876 . 0 0 "[ . 1 . 2]" 1
92 1 44 THR MG 1 45 GLU H 4.170 . 4.590 3.887 3.726 4.034 . 0 0 "[ . 1 . 2]" 1
93 1 45 GLU H 1 46 THR H 3.770 . 4.150 2.786 2.655 2.952 . 0 0 "[ . 1 . 2]" 1
94 1 45 GLU HB3 1 46 THR H 3.990 . 4.390 3.833 3.657 4.028 . 0 0 "[ . 1 . 2]" 1
95 1 45 GLU HB2 1 46 THR H 4.110 . 4.520 2.936 2.686 3.168 . 0 0 "[ . 1 . 2]" 1
96 1 45 GLU HG3 1 46 THR H 5.000 . 5.500 4.651 4.422 5.175 . 0 0 "[ . 1 . 2]" 1
97 1 46 THR HB 1 47 GLN H 3.480 . 3.830 2.440 2.239 2.698 . 0 0 "[ . 1 . 2]" 1
98 1 46 THR MG 1 47 GLN H 3.690 . 4.060 3.353 3.182 3.613 . 0 0 "[ . 1 . 2]" 1
99 1 47 GLN HB2 1 48 VAL H 3.960 . 4.360 2.537 2.424 2.719 . 0 0 "[ . 1 . 2]" 1
100 1 47 GLN HB3 1 48 VAL H 4.240 . 4.660 3.506 3.348 3.692 . 0 0 "[ . 1 . 2]" 1
101 1 47 GLN HG2 1 48 VAL H 5.220 . 5.740 5.024 4.963 5.117 . 0 0 "[ . 1 . 2]" 1
102 1 47 GLN HG3 1 48 VAL H 5.220 . 5.740 4.397 4.208 4.570 . 0 0 "[ . 1 . 2]" 1
103 1 45 GLU HA 1 49 LYS H 4.640 . 5.100 3.903 3.612 4.127 . 0 0 "[ . 1 . 2]" 1
104 1 48 VAL HB 1 49 LYS H 3.210 . 3.530 2.634 2.511 2.807 . 0 0 "[ . 1 . 2]" 1
105 1 48 VAL MG1 1 49 LYS H 3.950 . 4.350 3.409 3.201 3.554 . 0 0 "[ . 1 . 2]" 1
106 1 48 VAL MG2 1 49 LYS H 4.060 . 4.470 3.916 3.857 4.007 . 0 0 "[ . 1 . 2]" 1
107 1 49 LYS H 1 50 ILE H 3.740 . 4.110 2.763 2.625 2.868 . 0 0 "[ . 1 . 2]" 1
108 1 49 LYS HB3 1 50 ILE H 3.580 . 3.940 2.595 2.399 2.822 . 0 0 "[ . 1 . 2]" 1
109 1 49 LYS HB2 1 50 ILE H 3.960 . 4.360 3.889 3.766 4.022 . 0 0 "[ . 1 . 2]" 1
110 1 49 LYS HG2 1 50 ILE H 4.990 . 5.490 3.826 3.352 4.597 . 0 0 "[ . 1 . 2]" 1
111 1 49 LYS HG3 1 50 ILE H 4.990 . 5.490 4.786 4.466 5.017 . 0 0 "[ . 1 . 2]" 1
112 1 50 ILE H 1 51 TRP H 3.500 . 3.850 2.743 2.672 2.883 . 0 0 "[ . 1 . 2]" 1
113 1 50 ILE HB 1 51 TRP H 3.350 . 3.690 2.641 2.288 2.886 . 0 0 "[ . 1 . 2]" 1
114 1 50 ILE MG 1 51 TRP H 3.690 . 4.060 3.327 2.991 3.700 . 0 0 "[ . 1 . 2]" 1
115 1 50 ILE HG12 1 51 TRP H 5.170 . 5.690 5.087 4.935 5.196 . 0 0 "[ . 1 . 2]" 1
116 1 50 ILE HG13 1 51 TRP H 4.670 . 5.140 4.407 4.256 4.584 . 0 0 "[ . 1 . 2]" 1
117 1 50 ILE MD 1 51 TRP H 4.640 . 5.100 4.664 4.345 4.896 . 0 0 "[ . 1 . 2]" 1
118 1 51 TRP H 1 52 PHE H 3.690 . 4.060 2.932 2.843 3.019 . 0 0 "[ . 1 . 2]" 1
119 1 52 PHE H 1 52 PHE HB2 3.890 . 4.280 2.328 2.271 2.382 . 0 0 "[ . 1 . 2]" 1
120 1 51 TRP HE3 1 52 PHE H 4.330 . 4.760 2.711 2.506 2.811 . 0 0 "[ . 1 . 2]" 1
121 1 52 PHE H 1 53 GLN H 3.640 . 4.000 2.874 2.766 3.001 . 0 0 "[ . 1 . 2]" 1
122 1 52 PHE HB2 1 53 GLN H 4.170 . 4.590 2.944 2.697 3.101 . 0 0 "[ . 1 . 2]" 1
123 1 52 PHE HB3 1 53 GLN H 4.170 . 4.590 3.502 3.287 3.668 . 0 0 "[ . 1 . 2]" 1
124 1 53 GLN HB2 1 54 ASN H 3.850 . 4.230 3.818 3.729 4.016 . 0 0 "[ . 1 . 2]" 1
125 1 53 GLN HB3 1 54 ASN H 3.850 . 4.230 2.438 2.304 2.736 . 0 0 "[ . 1 . 2]" 1
126 1 54 ASN HB3 1 55 ARG H 4.190 . 4.610 3.591 3.423 3.937 . 0 0 "[ . 1 . 2]" 1
127 1 54 ASN HB2 1 55 ARG H 3.870 . 4.260 2.692 2.340 3.075 . 0 0 "[ . 1 . 2]" 1
128 1 55 ARG H 1 56 ARG H 3.590 . 3.950 2.778 2.689 2.925 . 0 0 "[ . 1 . 2]" 1
129 1 55 ARG HB2 1 56 ARG H 4.690 . 5.160 3.149 2.658 3.746 . 0 0 "[ . 1 . 2]" 1
130 1 55 ARG HB3 1 56 ARG H 4.690 . 5.160 3.367 2.528 3.924 . 0 0 "[ . 1 . 2]" 1
131 1 56 ARG H 1 57 TYR H 3.510 . 3.860 2.576 2.389 2.690 . 0 0 "[ . 1 . 2]" 1
132 1 56 ARG HB2 1 57 TYR H 4.230 . 4.650 2.849 2.524 3.891 . 0 0 "[ . 1 . 2]" 1
133 1 56 ARG HB3 1 57 TYR H 4.230 . 4.650 3.643 2.701 3.973 . 0 0 "[ . 1 . 2]" 1
134 1 57 TYR HB2 1 58 LYS H 4.330 . 4.760 4.114 3.964 4.466 . 0 0 "[ . 1 . 2]" 1
135 1 57 TYR HB3 1 58 LYS H 4.330 . 4.760 3.015 2.807 3.432 . 0 0 "[ . 1 . 2]" 1
136 1 57 TYR QD 1 58 LYS H 4.950 . 5.440 4.113 3.646 4.400 . 0 0 "[ . 1 . 2]" 1
137 1 56 ARG HA 1 59 THR H 3.800 . 4.180 3.402 3.110 3.771 . 0 0 "[ . 1 . 2]" 1
138 1 58 LYS HB2 1 59 THR H 4.190 . 4.610 3.310 2.896 4.043 . 0 0 "[ . 1 . 2]" 1
139 1 58 LYS HB3 1 59 THR H 4.190 . 4.610 4.006 3.177 4.225 . 0 0 "[ . 1 . 2]" 1
140 1 59 THR HB 1 60 LYS H 4.170 . 4.590 3.443 1.830 4.532 . 0 0 "[ . 1 . 2]" 1
141 1 59 THR MG 1 60 LYS H 4.730 . 5.200 3.634 2.284 4.414 . 0 0 "[ . 1 . 2]" 1
142 1 60 LYS HB3 1 61 ARG H 4.310 . 4.740 4.031 2.952 4.457 . 0 0 "[ . 1 . 2]" 1
143 1 61 ARG HB3 1 62 LYS H 4.190 . 4.610 3.523 2.283 4.506 . 0 0 "[ . 1 . 2]" 1
144 1 61 ARG HG2 1 62 LYS H 5.590 . 6.150 4.275 2.627 5.255 . 0 0 "[ . 1 . 2]" 1
145 1 61 ARG HG3 1 62 LYS H 5.590 . 6.150 4.392 2.556 5.314 . 0 0 "[ . 1 . 2]" 1
146 1 62 LYS H 1 63 GLN H 5.010 . 5.510 4.096 1.948 4.683 . 0 0 "[ . 1 . 2]" 1
147 1 62 LYS HA 1 63 GLN H 3.280 . 3.610 2.442 2.147 3.543 . 0 0 "[ . 1 . 2]" 1
148 1 62 LYS HB2 1 63 GLN H 4.400 . 4.840 3.936 2.110 4.623 . 0 0 "[ . 1 . 2]" 1
149 1 62 LYS HB3 1 63 GLN H 4.400 . 4.840 3.874 2.531 4.515 . 0 0 "[ . 1 . 2]" 1
150 1 63 GLN HA 1 64 LEU H 3.280 . 3.610 2.785 2.208 3.579 . 0 0 "[ . 1 . 2]" 1
151 1 63 GLN HB3 1 64 LEU H 4.650 . 5.120 2.989 1.939 4.431 . 0 0 "[ . 1 . 2]" 1
152 1 64 LEU HB2 1 65 SER H 5.120 . 5.630 3.945 2.649 4.681 . 0 0 "[ . 1 . 2]" 1
153 1 64 LEU HB3 1 65 SER H 5.120 . 5.630 3.260 2.199 4.491 . 0 0 "[ . 1 . 2]" 1
154 1 65 SER H 1 66 SER H 5.380 . 5.920 3.858 2.168 4.660 . 0 0 "[ . 1 . 2]" 1
155 1 66 SER HB2 1 67 GLU H 5.140 . 5.650 3.849 2.016 4.569 . 0 0 "[ . 1 . 2]" 1
156 1 66 SER HB3 1 67 GLU H 5.140 . 5.650 4.017 2.068 4.703 . 0 0 "[ . 1 . 2]" 1
157 1 67 GLU H 1 68 LEU H 4.240 . 4.660 3.864 2.558 4.666 0.006 4 0 "[ . 1 . 2]" 1
158 1 67 GLU HA 1 68 LEU H 3.340 . 3.670 2.531 2.154 3.577 . 0 0 "[ . 1 . 2]" 1
159 1 67 GLU HB2 1 68 LEU H 4.650 . 5.120 4.147 2.402 4.674 . 0 0 "[ . 1 . 2]" 1
160 1 40 ASN H 1 40 ASN HD21 4.930 . 5.420 3.912 2.197 4.737 . 0 0 "[ . 1 . 2]" 1
161 1 40 ASN H 1 40 ASN HD22 4.930 . 5.420 4.337 3.783 4.921 . 0 0 "[ . 1 . 2]" 1
162 1 40 ASN HA 1 40 ASN HD22 5.000 . 5.500 4.568 3.649 4.746 . 0 0 "[ . 1 . 2]" 1
163 1 54 ASN H 1 54 ASN HD22 4.930 . 5.420 3.965 3.471 4.668 . 0 0 "[ . 1 . 2]" 1
164 1 54 ASN HA 1 54 ASN HD22 5.190 . 5.710 4.463 3.833 4.820 . 0 0 "[ . 1 . 2]" 1
165 1 54 ASN HB3 1 54 ASN HD22 4.010 . 4.410 3.895 3.518 4.087 . 0 0 "[ . 1 . 2]" 1
166 1 54 ASN HB2 1 54 ASN HD22 3.850 . 4.230 3.522 3.474 3.806 . 0 0 "[ . 1 . 2]" 1
167 1 15 GLN HE21 1 41 LEU HB2 4.320 . 4.750 3.495 2.954 4.187 . 0 0 "[ . 1 . 2]" 1
168 1 15 GLN HB2 1 15 GLN HE21 4.010 . 4.410 3.258 2.750 4.060 . 0 0 "[ . 1 . 2]" 1
169 1 15 GLN HB2 1 15 GLN HE22 4.520 . 4.970 4.012 3.738 4.458 . 0 0 "[ . 1 . 2]" 1
170 1 15 GLN HE22 1 41 LEU HB2 4.440 . 4.880 4.570 4.356 4.816 . 0 0 "[ . 1 . 2]" 1
171 1 15 GLN HE22 1 15 GLN HG3 3.730 . 4.100 3.499 3.484 3.518 . 0 0 "[ . 1 . 2]" 1
172 1 26 GLN HE22 1 26 GLN HG3 3.640 . 4.000 3.524 3.494 3.766 . 0 0 "[ . 1 . 2]" 1
173 1 47 GLN HB2 1 47 GLN HE21 4.430 . 4.870 3.387 2.018 4.432 . 0 0 "[ . 1 . 2]" 1
174 1 47 GLN HB2 1 47 GLN HE22 4.430 . 4.870 4.130 3.647 4.619 . 0 0 "[ . 1 . 2]" 1
175 1 14 THR H 1 14 THR HB 3.400 . 3.740 2.613 2.510 2.753 . 0 0 "[ . 1 . 2]" 1
176 1 14 THR H 1 14 THR MG 3.940 . 4.330 3.811 3.795 3.837 . 0 0 "[ . 1 . 2]" 1
177 1 15 GLN H 1 15 GLN HB2 3.210 . 3.530 2.539 2.425 2.656 . 0 0 "[ . 1 . 2]" 1
178 1 15 GLN H 1 15 GLN HB3 4.010 . 4.410 2.422 2.316 2.547 . 0 0 "[ . 1 . 2]" 1
179 1 15 GLN H 1 15 GLN HG3 4.470 . 4.920 4.494 4.450 4.534 . 0 0 "[ . 1 . 2]" 1
180 1 16 VAL H 1 16 VAL HB 3.080 . 3.390 2.559 2.440 2.650 . 0 0 "[ . 1 . 2]" 1
181 1 16 VAL H 1 16 VAL MG2 2.910 . 3.200 2.168 2.036 2.340 . 0 0 "[ . 1 . 2]" 1
182 1 17 ILE H 1 17 ILE HB 2.920 . 3.210 2.577 2.441 2.684 . 0 0 "[ . 1 . 2]" 1
183 1 17 ILE H 1 17 ILE MG 3.800 . 4.180 3.836 3.797 3.863 . 0 0 "[ . 1 . 2]" 1
184 1 17 ILE H 1 17 ILE HG12 3.430 . 3.770 3.352 2.079 3.559 . 0 0 "[ . 1 . 2]" 1
185 1 17 ILE H 1 17 ILE HG13 3.430 . 3.770 2.242 2.029 3.616 . 0 0 "[ . 1 . 2]" 1
186 1 17 ILE H 1 17 ILE MD 3.800 . 4.180 3.610 3.071 3.704 . 0 0 "[ . 1 . 2]" 1
187 1 18 GLU H 1 18 GLU HB2 3.250 . 3.580 2.519 2.315 2.754 . 0 0 "[ . 1 . 2]" 1
188 1 18 GLU H 1 18 GLU HG3 4.050 . 4.460 3.612 3.448 3.816 . 0 0 "[ . 1 . 2]" 1
189 1 18 GLU H 1 18 GLU HG2 3.550 . 3.900 2.218 2.018 2.652 . 0 0 "[ . 1 . 2]" 1
190 1 19 LEU H 1 19 LEU HB2 3.400 . 3.740 2.383 2.328 2.443 . 0 0 "[ . 1 . 2]" 1
191 1 19 LEU H 1 19 LEU HB3 4.170 . 4.590 3.568 3.551 3.590 . 0 0 "[ . 1 . 2]" 1
192 1 19 LEU H 1 19 LEU HG 3.330 . 3.660 2.452 2.287 2.572 . 0 0 "[ . 1 . 2]" 1
193 1 19 LEU H 1 19 LEU MD2 4.020 . 4.420 3.690 3.517 3.854 . 0 0 "[ . 1 . 2]" 1
194 1 19 LEU H 1 19 LEU MD1 4.080 . 4.490 3.450 3.321 3.558 . 0 0 "[ . 1 . 2]" 1
195 1 20 GLU H 1 20 GLU HB2 3.590 . 3.950 2.410 2.334 2.497 . 0 0 "[ . 1 . 2]" 1
196 1 20 GLU H 1 20 GLU HB3 3.590 . 3.950 3.614 3.562 3.640 . 0 0 "[ . 1 . 2]" 1
197 1 20 GLU H 1 20 GLU HG2 3.640 . 4.000 3.474 2.522 3.834 . 0 0 "[ . 1 . 2]" 1
198 1 20 GLU H 1 20 GLU HG3 3.640 . 4.000 2.768 2.331 3.731 . 0 0 "[ . 1 . 2]" 1
199 1 21 ARG H 1 21 ARG HB2 2.840 . 3.120 2.485 2.348 2.705 . 0 0 "[ . 1 . 2]" 1
200 1 21 ARG H 1 21 ARG HG2 4.350 . 4.790 3.587 3.292 4.116 . 0 0 "[ . 1 . 2]" 1
201 1 21 ARG H 1 21 ARG HG3 4.350 . 4.790 2.417 2.041 3.980 . 0 0 "[ . 1 . 2]" 1
202 1 21 ARG H 1 21 ARG HD2 4.950 . 5.440 4.373 2.632 5.023 . 0 0 "[ . 1 . 2]" 1
203 1 21 ARG H 1 21 ARG HD3 4.950 . 5.440 4.214 2.616 4.902 . 0 0 "[ . 1 . 2]" 1
204 1 22 LYS H 1 22 LYS HB2 3.470 . 3.820 2.464 2.300 2.575 . 0 0 "[ . 1 . 2]" 1
205 1 22 LYS H 1 22 LYS HB3 3.470 . 3.820 2.588 2.469 2.803 . 0 0 "[ . 1 . 2]" 1
206 1 22 LYS H 1 22 LYS HG2 4.690 . 5.160 4.629 4.585 4.669 . 0 0 "[ . 1 . 2]" 1
207 1 22 LYS H 1 22 LYS HG3 4.650 . 5.120 4.522 4.469 4.559 . 0 0 "[ . 1 . 2]" 1
208 1 21 ARG HB2 1 22 LYS H 3.260 . 3.590 2.642 2.260 2.904 . 0 0 "[ . 1 . 2]" 1
209 1 23 PHE H 1 23 PHE HB2 3.840 . 4.220 2.460 2.358 2.551 . 0 0 "[ . 1 . 2]" 1
210 1 23 PHE H 1 23 PHE HB3 3.840 . 4.220 2.552 2.442 2.663 . 0 0 "[ . 1 . 2]" 1
211 1 23 PHE H 1 52 PHE HZ 4.700 . 5.170 3.374 3.036 3.789 . 0 0 "[ . 1 . 2]" 1
212 1 24 SER H 1 24 SER HB2 3.640 . 4.000 2.895 2.440 3.615 . 0 0 "[ . 1 . 2]" 1
213 1 24 SER H 1 24 SER HB3 3.640 . 4.000 2.875 2.508 3.635 . 0 0 "[ . 1 . 2]" 1
214 1 25 HIS H 1 25 HIS HB3 3.990 . 4.390 3.375 2.387 3.638 . 0 0 "[ . 1 . 2]" 1
215 1 26 GLN H 1 26 GLN HB3 3.600 . 3.960 3.421 3.291 3.527 . 0 0 "[ . 1 . 2]" 1
216 1 26 GLN H 1 26 GLN HG2 3.800 . 4.180 2.632 2.492 2.751 . 0 0 "[ . 1 . 2]" 1
217 1 27 LYS H 1 27 LYS HB3 3.750 . 4.130 3.608 3.531 3.667 . 0 0 "[ . 1 . 2]" 1
218 1 27 LYS H 1 27 LYS HB2 3.320 . 3.650 2.467 2.309 2.607 . 0 0 "[ . 1 . 2]" 1
219 1 27 LYS H 1 27 LYS HG2 3.800 . 4.180 2.335 2.172 2.494 . 0 0 "[ . 1 . 2]" 1
220 1 27 LYS H 1 27 LYS HG3 3.800 . 4.180 3.715 3.601 3.898 . 0 0 "[ . 1 . 2]" 1
221 1 27 LYS H 1 27 LYS HD2 4.870 . 5.360 4.673 4.389 4.905 . 0 0 "[ . 1 . 2]" 1
222 1 27 LYS H 1 27 LYS HD3 4.870 . 5.360 3.638 3.185 4.026 . 0 0 "[ . 1 . 2]" 1
223 1 29 LEU H 1 29 LEU HB3 4.190 . 4.610 3.685 3.625 3.776 . 0 0 "[ . 1 . 2]" 1
224 1 29 LEU H 1 29 LEU HB2 3.560 . 3.920 2.528 2.387 2.692 . 0 0 "[ . 1 . 2]" 1
225 1 29 LEU H 1 29 LEU HG 4.140 . 4.550 2.680 2.543 2.920 . 0 0 "[ . 1 . 2]" 1
226 1 29 LEU H 1 29 LEU MD1 4.650 . 5.120 3.931 3.726 4.144 . 0 0 "[ . 1 . 2]" 1
227 1 29 LEU H 1 29 LEU MD2 4.460 . 4.910 3.436 3.127 3.841 . 0 0 "[ . 1 . 2]" 1
228 1 31 ALA H 1 31 ALA MB 3.400 . 3.740 2.257 2.240 2.281 . 0 0 "[ . 1 . 2]" 1
229 1 33 GLU H 1 33 GLU HB3 3.890 . 4.280 3.619 3.577 3.686 . 0 0 "[ . 1 . 2]" 1
230 1 33 GLU H 1 33 GLU HB2 3.180 . 3.500 2.527 2.325 2.682 . 0 0 "[ . 1 . 2]" 1
231 1 33 GLU H 1 33 GLU HG3 4.010 . 4.410 3.035 2.097 3.869 . 0 0 "[ . 1 . 2]" 1
232 1 34 ARG H 1 34 ARG HB3 3.170 . 3.490 2.499 2.325 2.595 . 0 0 "[ . 1 . 2]" 1
233 1 34 ARG H 1 34 ARG HG2 4.460 . 4.910 4.485 4.362 4.524 . 0 0 "[ . 1 . 2]" 1
234 1 34 ARG H 1 34 ARG HG3 4.620 . 5.080 4.481 4.424 4.567 . 0 0 "[ . 1 . 2]" 1
235 1 35 ALA H 1 35 ALA MB 2.630 . 2.890 2.240 2.227 2.254 . 0 0 "[ . 1 . 2]" 1
236 1 37 LEU H 1 37 LEU HB2 3.020 . 3.320 2.502 2.420 2.626 . 0 0 "[ . 1 . 2]" 1
237 1 37 LEU H 1 37 LEU HB3 3.030 . 3.330 2.537 2.451 2.623 . 0 0 "[ . 1 . 2]" 1
238 1 37 LEU H 1 39 LYS HG2 5.110 . 5.620 4.658 4.482 4.849 . 0 0 "[ . 1 . 2]" 1
239 1 38 ALA H 1 38 ALA MB 2.780 . 3.060 2.245 2.231 2.259 . 0 0 "[ . 1 . 2]" 1
240 1 39 LYS H 1 39 LYS HB3 2.630 . 2.890 2.588 2.497 2.678 . 0 0 "[ . 1 . 2]" 1
241 1 39 LYS H 1 39 LYS HG3 4.110 . 4.520 3.396 3.198 3.640 . 0 0 "[ . 1 . 2]" 1
242 1 39 LYS H 1 39 LYS HG2 3.820 . 4.200 2.228 2.104 2.411 . 0 0 "[ . 1 . 2]" 1
243 1 40 ASN H 1 40 ASN HB2 2.930 . 3.220 2.477 2.368 2.623 . 0 0 "[ . 1 . 2]" 1
244 1 41 LEU H 1 41 LEU HB2 3.350 . 3.690 2.511 2.400 2.612 . 0 0 "[ . 1 . 2]" 1
245 1 41 LEU H 1 41 LEU HG 3.450 . 3.790 2.707 2.567 2.848 . 0 0 "[ . 1 . 2]" 1
246 1 41 LEU H 1 41 LEU MD2 3.800 . 4.180 3.568 3.190 3.710 . 0 0 "[ . 1 . 2]" 1
247 1 41 LEU H 1 41 LEU MD1 3.970 . 4.370 3.896 3.804 3.982 . 0 0 "[ . 1 . 2]" 1
248 1 42 LYS H 1 42 LYS HA 2.780 . 3.060 2.244 2.226 2.267 . 0 0 "[ . 1 . 2]" 1
249 1 42 LYS H 1 42 LYS HB3 4.190 . 4.610 4.086 4.064 4.114 . 0 0 "[ . 1 . 2]" 1
250 1 42 LYS H 1 42 LYS HG2 3.930 . 4.320 3.844 2.771 4.551 0.231 9 0 "[ . 1 . 2]" 1
251 1 42 LYS H 1 42 LYS HG3 3.930 . 4.320 3.952 3.457 4.420 0.100 19 0 "[ . 1 . 2]" 1
252 1 42 LYS H 1 42 LYS HD2 4.580 . 5.040 3.133 2.003 4.828 . 0 0 "[ . 1 . 2]" 1
253 1 42 LYS H 1 42 LYS HD3 4.580 . 5.040 3.338 2.936 3.690 . 0 0 "[ . 1 . 2]" 1
254 1 43 LEU H 1 43 LEU HB2 3.350 . 3.690 2.448 2.394 2.505 . 0 0 "[ . 1 . 2]" 1
255 1 41 LEU HB2 1 43 LEU H 3.520 . 3.870 3.082 2.824 3.255 . 0 0 "[ . 1 . 2]" 1
256 1 43 LEU H 1 43 LEU HG 3.640 . 4.000 2.613 2.461 2.775 . 0 0 "[ . 1 . 2]" 1
257 1 43 LEU H 1 43 LEU MD2 4.150 . 4.570 3.585 3.363 3.794 . 0 0 "[ . 1 . 2]" 1
258 1 43 LEU H 1 43 LEU MD1 4.210 . 4.630 3.775 3.682 3.885 . 0 0 "[ . 1 . 2]" 1
259 1 45 GLU H 1 45 GLU HB2 3.310 . 3.640 2.524 2.468 2.646 . 0 0 "[ . 1 . 2]" 1
260 1 45 GLU H 1 45 GLU HG3 3.570 . 3.930 2.486 2.198 3.382 . 0 0 "[ . 1 . 2]" 1
261 1 46 THR H 1 46 THR HB 3.180 . 3.500 2.555 2.471 2.634 . 0 0 "[ . 1 . 2]" 1
262 1 46 THR H 1 46 THR MG 3.970 . 4.370 3.803 3.774 3.823 . 0 0 "[ . 1 . 2]" 1
263 1 47 GLN H 1 47 GLN HB2 3.060 . 3.370 2.487 2.420 2.592 . 0 0 "[ . 1 . 2]" 1
264 1 47 GLN H 1 47 GLN HB3 3.590 . 3.950 3.616 3.575 3.637 . 0 0 "[ . 1 . 2]" 1
265 1 47 GLN H 1 47 GLN HG2 3.650 . 4.020 3.529 3.364 3.683 . 0 0 "[ . 1 . 2]" 1
266 1 47 GLN H 1 47 GLN HG3 3.650 . 4.020 2.302 2.061 2.508 . 0 0 "[ . 1 . 2]" 1
267 1 48 VAL H 1 48 VAL HB 3.240 . 3.560 2.524 2.456 2.569 . 0 0 "[ . 1 . 2]" 1
268 1 48 VAL H 1 48 VAL MG1 4.000 . 4.400 3.807 3.772 3.833 . 0 0 "[ . 1 . 2]" 1
269 1 48 VAL H 1 48 VAL MG2 3.110 . 3.420 2.113 2.062 2.166 . 0 0 "[ . 1 . 2]" 1
270 1 49 LYS H 1 49 LYS HB3 3.220 . 3.540 2.542 2.425 2.696 . 0 0 "[ . 1 . 2]" 1
271 1 49 LYS H 1 49 LYS HB2 3.260 . 3.590 2.525 2.436 2.611 . 0 0 "[ . 1 . 2]" 1
272 1 34 ARG HG3 1 49 LYS H 5.110 . 5.620 3.937 3.515 4.264 . 0 0 "[ . 1 . 2]" 1
273 1 50 ILE H 1 50 ILE HB 3.160 . 3.480 2.488 2.368 2.649 . 0 0 "[ . 1 . 2]" 1
274 1 50 ILE H 1 50 ILE MG 3.880 . 4.270 3.812 3.763 3.860 . 0 0 "[ . 1 . 2]" 1
275 1 50 ILE H 1 50 ILE HG12 3.760 . 4.140 3.554 3.402 3.657 . 0 0 "[ . 1 . 2]" 1
276 1 50 ILE H 1 50 ILE HG13 3.430 . 3.770 2.285 2.180 2.387 . 0 0 "[ . 1 . 2]" 1
277 1 51 TRP H 1 51 TRP HB3 3.300 . 3.630 2.661 2.572 2.715 . 0 0 "[ . 1 . 2]" 1
278 1 51 TRP H 1 51 TRP HB2 3.170 . 3.490 2.477 2.388 2.597 . 0 0 "[ . 1 . 2]" 1
279 1 51 TRP H 1 51 TRP HD1 5.180 . 5.700 4.917 4.820 5.046 . 0 0 "[ . 1 . 2]" 1
280 1 51 TRP H 1 51 TRP HE3 4.980 . 5.480 4.888 4.745 5.005 . 0 0 "[ . 1 . 2]" 1
281 1 51 TRP HB3 1 52 PHE H 3.420 . 3.760 2.311 2.214 2.473 . 0 0 "[ . 1 . 2]" 1
282 1 52 PHE H 1 52 PHE QD 3.750 . 4.130 2.209 1.959 2.428 . 0 0 "[ . 1 . 2]" 1
283 1 53 GLN H 1 53 GLN HB2 3.180 . 3.500 2.560 2.456 2.718 . 0 0 "[ . 1 . 2]" 1
284 1 53 GLN H 1 53 GLN HB3 3.180 . 3.500 2.497 2.244 2.598 . 0 0 "[ . 1 . 2]" 1
285 1 53 GLN H 1 53 GLN HG2 4.680 . 5.150 4.499 4.302 4.625 . 0 0 "[ . 1 . 2]" 1
286 1 54 ASN H 1 54 ASN HB3 3.690 . 4.060 3.619 3.577 3.652 . 0 0 "[ . 1 . 2]" 1
287 1 54 ASN H 1 54 ASN HB2 3.160 . 3.480 2.462 2.315 2.657 . 0 0 "[ . 1 . 2]" 1
288 1 54 ASN H 1 54 ASN HD21 4.930 . 5.420 3.131 1.876 4.568 . 0 0 "[ . 1 . 2]" 1
289 1 55 ARG H 1 55 ARG HB2 3.750 . 4.130 2.312 2.103 2.625 . 0 0 "[ . 1 . 2]" 1
290 1 55 ARG H 1 55 ARG HB3 3.750 . 4.130 3.400 2.834 3.635 . 0 0 "[ . 1 . 2]" 1
291 1 56 ARG H 1 56 ARG HB2 4.010 . 4.410 2.428 2.223 2.541 . 0 0 "[ . 1 . 2]" 1
292 1 56 ARG H 1 56 ARG HB3 4.010 . 4.410 3.559 2.562 3.646 . 0 0 "[ . 1 . 2]" 1
293 1 56 ARG H 1 56 ARG HG2 4.260 . 4.690 3.588 2.527 4.451 . 0 0 "[ . 1 . 2]" 1
294 1 56 ARG H 1 56 ARG HG3 4.260 . 4.690 2.720 2.184 4.577 . 0 0 "[ . 1 . 2]" 1
295 1 57 TYR H 1 57 TYR HB2 3.300 . 3.630 2.576 2.399 2.990 . 0 0 "[ . 1 . 2]" 1
296 1 57 TYR H 1 57 TYR HB3 3.300 . 3.630 2.465 2.132 2.628 . 0 0 "[ . 1 . 2]" 1
297 1 57 TYR H 1 57 TYR QD 4.300 . 4.730 4.216 3.910 4.263 . 0 0 "[ . 1 . 2]" 1
298 1 58 LYS H 1 58 LYS HB2 3.780 . 4.160 2.448 2.337 2.709 . 0 0 "[ . 1 . 2]" 1
299 1 58 LYS H 1 58 LYS HB3 3.780 . 4.160 3.603 2.825 3.691 . 0 0 "[ . 1 . 2]" 1
300 1 58 LYS H 1 58 LYS HG2 4.250 . 4.680 3.424 2.295 4.606 . 0 0 "[ . 1 . 2]" 1
301 1 58 LYS H 1 58 LYS HG3 4.250 . 4.680 3.267 2.546 4.389 . 0 0 "[ . 1 . 2]" 1
302 1 58 LYS H 1 58 LYS HD2 5.650 . 6.210 4.697 4.022 5.420 . 0 0 "[ . 1 . 2]" 1
303 1 58 LYS H 1 58 LYS HD3 5.650 . 6.210 4.729 3.153 5.223 . 0 0 "[ . 1 . 2]" 1
304 1 59 THR H 1 59 THR HB 4.080 . 4.490 3.394 2.510 3.773 . 0 0 "[ . 1 . 2]" 1
305 1 59 THR H 1 59 THR MG 3.650 . 4.020 2.599 2.162 3.873 . 0 0 "[ . 1 . 2]" 1
306 1 60 LYS H 1 60 LYS HB2 4.110 . 4.520 2.845 2.258 3.639 . 0 0 "[ . 1 . 2]" 1
307 1 60 LYS H 1 60 LYS HB3 4.110 . 4.520 3.172 2.472 4.141 . 0 0 "[ . 1 . 2]" 1
308 1 60 LYS H 1 60 LYS HG2 5.500 . 6.050 3.652 2.091 5.049 . 0 0 "[ . 1 . 2]" 1
309 1 60 LYS H 1 60 LYS HG3 5.500 . 6.050 3.742 2.185 4.681 . 0 0 "[ . 1 . 2]" 1
310 1 60 LYS HA 1 61 ARG H 3.500 . 3.850 2.782 2.113 3.597 . 0 0 "[ . 1 . 2]" 1
311 1 60 LYS HB2 1 61 ARG H 4.310 . 4.740 3.940 2.537 4.688 . 0 0 "[ . 1 . 2]" 1
312 1 61 ARG H 1 61 ARG HG2 5.190 . 5.710 3.772 2.141 5.169 . 0 0 "[ . 1 . 2]" 1
313 1 61 ARG H 1 61 ARG HG3 5.190 . 5.710 3.433 2.209 4.744 . 0 0 "[ . 1 . 2]" 1
314 1 61 ARG HA 1 62 LYS H 3.280 . 3.610 2.478 2.112 3.575 . 0 0 "[ . 1 . 2]" 1
315 1 61 ARG HB2 1 62 LYS H 4.190 . 4.610 3.862 1.900 4.547 . 0 0 "[ . 1 . 2]" 1
316 1 62 LYS H 1 62 LYS HG2 5.500 . 6.050 3.821 2.035 5.198 . 0 0 "[ . 1 . 2]" 1
317 1 62 LYS H 1 62 LYS HG3 5.500 . 6.050 4.207 2.576 5.008 . 0 0 "[ . 1 . 2]" 1
318 1 63 GLN H 1 63 GLN HG2 5.080 . 5.590 3.162 2.027 4.644 . 0 0 "[ . 1 . 2]" 1
319 1 63 GLN H 1 63 GLN HG3 5.080 . 5.590 3.466 2.213 4.458 . 0 0 "[ . 1 . 2]" 1
320 1 64 LEU H 1 64 LEU HB2 3.520 . 3.870 2.712 2.397 3.632 . 0 0 "[ . 1 . 2]" 1
321 1 64 LEU H 1 64 LEU HB3 3.520 . 3.870 2.839 2.447 3.668 . 0 0 "[ . 1 . 2]" 1
322 1 67 GLU H 1 67 GLU HG2 4.850 . 5.330 3.801 2.095 4.611 . 0 0 "[ . 1 . 2]" 1
323 1 67 GLU H 1 67 GLU HG3 4.850 . 5.330 3.680 2.051 4.882 . 0 0 "[ . 1 . 2]" 1
324 1 14 THR H 1 15 GLN H 3.590 . 3.950 2.646 2.567 2.694 . 0 0 "[ . 1 . 2]" 1
325 1 16 VAL H 1 17 ILE H 3.400 . 3.740 2.749 2.654 2.810 . 0 0 "[ . 1 . 2]" 1
326 1 17 ILE H 1 18 GLU H 3.370 . 3.710 2.819 2.748 2.907 . 0 0 "[ . 1 . 2]" 1
327 1 21 ARG H 1 22 LYS H 3.390 . 3.730 2.727 2.615 2.838 . 0 0 "[ . 1 . 2]" 1
328 1 22 LYS H 1 23 PHE H 3.680 . 4.050 2.553 2.382 2.693 . 0 0 "[ . 1 . 2]" 1
329 1 24 SER H 1 25 HIS H 3.920 . 4.310 2.743 2.561 2.865 . 0 0 "[ . 1 . 2]" 1
330 1 24 SER H 1 26 GLN H 4.840 . 5.320 4.195 4.064 4.410 . 0 0 "[ . 1 . 2]" 1
331 1 27 LYS H 1 28 TYR H 3.300 . 3.630 2.440 2.308 2.613 . 0 0 "[ . 1 . 2]" 1
332 1 36 HIS H 1 37 LEU H 2.920 . 3.210 2.758 2.570 2.857 . 0 0 "[ . 1 . 2]" 1
333 1 37 LEU H 1 38 ALA H 3.160 . 3.480 2.615 2.435 2.747 . 0 0 "[ . 1 . 2]" 1
334 1 38 ALA H 1 39 LYS H 3.190 . 3.510 2.914 2.759 3.004 . 0 0 "[ . 1 . 2]" 1
335 1 39 LYS H 1 40 ASN H 3.150 . 3.470 2.733 2.636 2.828 . 0 0 "[ . 1 . 2]" 1
336 1 42 LYS H 1 43 LEU H 3.210 . 3.530 2.789 2.730 2.881 . 0 0 "[ . 1 . 2]" 1
337 1 43 LEU H 1 44 THR H 4.820 . 5.300 4.557 4.528 4.595 . 0 0 "[ . 1 . 2]" 1
338 1 46 THR H 1 47 GLN H 3.510 . 3.860 2.772 2.632 2.978 . 0 0 "[ . 1 . 2]" 1
339 1 47 GLN H 1 48 VAL H 3.340 . 3.670 2.805 2.728 2.914 . 0 0 "[ . 1 . 2]" 1
340 1 48 VAL H 1 49 LYS H 3.490 . 3.840 2.785 2.696 2.859 . 0 0 "[ . 1 . 2]" 1
341 1 53 GLN H 1 54 ASN H 3.290 . 3.620 2.810 2.724 2.950 . 0 0 "[ . 1 . 2]" 1
342 1 54 ASN H 1 55 ARG H 3.330 . 3.660 2.718 2.533 2.801 . 0 0 "[ . 1 . 2]" 1
343 1 57 TYR H 1 58 LYS H 3.640 . 4.000 2.565 2.349 2.703 . 0 0 "[ . 1 . 2]" 1
344 1 58 LYS H 1 59 THR H 2.950 . 3.250 2.443 2.342 2.588 . 0 0 "[ . 1 . 2]" 1
345 1 59 THR H 1 60 LYS H 4.880 . 5.370 4.156 2.096 4.708 . 0 0 "[ . 1 . 2]" 1
346 1 60 LYS H 1 61 ARG H 4.740 . 5.210 3.537 2.588 4.656 . 0 0 "[ . 1 . 2]" 1
347 1 64 LEU H 1 65 SER H 3.080 . 3.390 2.803 1.946 3.627 0.237 20 0 "[ . 1 . 2]" 1
348 1 68 LEU H 1 69 GLY H 4.810 . 5.290 4.118 2.165 4.638 . 0 0 "[ . 1 . 2]" 1
349 1 14 THR H 1 16 VAL H 4.570 . 5.030 4.346 4.155 4.545 . 0 0 "[ . 1 . 2]" 1
350 1 16 VAL H 1 18 GLU H 4.620 . 5.080 4.309 4.132 4.571 . 0 0 "[ . 1 . 2]" 1
351 1 15 GLN H 1 17 ILE H 4.250 . 4.680 4.058 3.993 4.130 . 0 0 "[ . 1 . 2]" 1
352 1 14 THR HA 1 17 ILE H 3.690 . 4.060 3.410 3.147 3.637 . 0 0 "[ . 1 . 2]" 1
353 1 32 PRO HA 1 36 HIS H 4.270 . 4.700 4.192 3.939 4.448 . 0 0 "[ . 1 . 2]" 1
354 1 16 VAL HA 1 18 GLU H 5.020 . 5.520 4.460 4.291 4.582 . 0 0 "[ . 1 . 2]" 1
355 1 17 ILE HA 1 19 LEU H 4.370 . 4.810 4.641 4.558 4.746 . 0 0 "[ . 1 . 2]" 1
356 1 16 VAL HA 1 19 LEU H 4.030 . 4.430 3.403 3.177 3.663 . 0 0 "[ . 1 . 2]" 1
357 1 15 GLN HA 1 19 LEU H 5.050 . 5.560 4.306 4.169 4.633 . 0 0 "[ . 1 . 2]" 1
358 1 19 LEU H 1 21 ARG H 4.760 . 5.240 4.220 4.121 4.343 . 0 0 "[ . 1 . 2]" 1
359 1 18 GLU H 1 20 GLU H 4.990 . 5.490 4.060 3.907 4.227 . 0 0 "[ . 1 . 2]" 1
360 1 17 ILE HA 1 20 GLU H 4.040 . 4.440 3.448 3.207 3.671 . 0 0 "[ . 1 . 2]" 1
361 1 16 VAL HA 1 20 GLU H 4.610 . 5.070 4.121 3.898 4.298 . 0 0 "[ . 1 . 2]" 1
362 1 20 GLU H 1 22 LYS H 4.380 . 4.820 4.187 4.002 4.402 . 0 0 "[ . 1 . 2]" 1
363 1 19 LEU HA 1 21 ARG H 5.130 . 5.640 4.506 4.348 4.596 . 0 0 "[ . 1 . 2]" 1
364 1 18 GLU HA 1 21 ARG H 3.870 . 4.260 3.428 3.296 3.541 . 0 0 "[ . 1 . 2]" 1
365 1 17 ILE HA 1 21 ARG H 4.420 . 4.860 4.231 4.079 4.412 . 0 0 "[ . 1 . 2]" 1
366 1 20 GLU HA 1 22 LYS H 4.370 . 4.810 4.318 3.960 4.624 . 0 0 "[ . 1 . 2]" 1
367 1 22 LYS H 1 24 SER H 4.410 . 4.850 4.135 4.030 4.313 . 0 0 "[ . 1 . 2]" 1
368 1 22 LYS HA 1 24 SER H 5.890 . 6.480 4.481 4.205 4.633 . 0 0 "[ . 1 . 2]" 1
369 1 20 GLU HA 1 24 SER H 5.110 . 5.620 3.748 3.518 3.979 . 0 0 "[ . 1 . 2]" 1
370 1 33 GLU H 1 35 ALA H 4.610 . 5.070 4.265 4.029 4.440 . 0 0 "[ . 1 . 2]" 1
371 1 32 PRO HA 1 35 ALA H 3.820 . 4.200 3.924 3.695 4.114 . 0 0 "[ . 1 . 2]" 1
372 1 31 ALA HA 1 35 ALA H 4.670 . 5.140 4.130 3.892 4.386 . 0 0 "[ . 1 . 2]" 1
373 1 34 ARG H 1 36 HIS H 4.440 . 4.880 4.027 3.671 4.303 . 0 0 "[ . 1 . 2]" 1
374 1 33 GLU HA 1 36 HIS H 3.820 . 4.200 3.574 3.080 3.913 . 0 0 "[ . 1 . 2]" 1
375 1 36 HIS H 1 38 ALA H 4.490 . 4.940 4.088 3.962 4.244 . 0 0 "[ . 1 . 2]" 1
376 1 35 ALA HA 1 37 LEU H 5.310 . 5.840 4.634 4.347 4.775 . 0 0 "[ . 1 . 2]" 1
377 1 35 ALA H 1 37 LEU H 3.870 . 4.260 4.283 4.177 4.354 0.094 14 0 "[ . 1 . 2]" 1
378 1 34 ARG HA 1 37 LEU H 4.030 . 4.430 3.669 3.547 3.804 . 0 0 "[ . 1 . 2]" 1
379 1 36 HIS HA 1 38 ALA H 4.710 . 5.180 4.537 4.341 4.678 . 0 0 "[ . 1 . 2]" 1
380 1 35 ALA HA 1 38 ALA H 4.010 . 4.410 3.588 3.337 3.790 . 0 0 "[ . 1 . 2]" 1
381 1 34 ARG HA 1 38 ALA H 4.350 . 4.790 4.066 3.948 4.180 . 0 0 "[ . 1 . 2]" 1
382 1 38 ALA H 1 40 ASN H 4.100 . 4.510 4.287 4.106 4.433 . 0 0 "[ . 1 . 2]" 1
383 1 36 HIS HA 1 39 LYS H 4.000 . 4.400 3.848 3.495 4.080 . 0 0 "[ . 1 . 2]" 1
384 1 35 ALA HA 1 39 LYS H 4.410 . 4.850 4.045 3.892 4.223 . 0 0 "[ . 1 . 2]" 1
385 1 37 LEU H 1 39 LYS H 4.540 . 4.990 4.467 4.299 4.598 . 0 0 "[ . 1 . 2]" 1
386 1 39 LYS H 1 41 LEU H 4.860 . 5.350 4.244 4.140 4.358 . 0 0 "[ . 1 . 2]" 1
387 1 36 HIS HA 1 40 ASN H 4.680 . 5.150 4.331 3.994 4.744 . 0 0 "[ . 1 . 2]" 1
388 1 46 THR H 1 48 VAL H 5.200 . 5.720 4.296 4.149 4.444 . 0 0 "[ . 1 . 2]" 1
389 1 45 GLU HA 1 47 GLN H 4.900 . 5.390 4.621 4.495 4.766 . 0 0 "[ . 1 . 2]" 1
390 1 45 GLU H 1 47 GLN H 4.970 . 5.470 4.516 4.354 4.683 . 0 0 "[ . 1 . 2]" 1
391 1 47 GLN H 1 49 LYS H 4.560 . 5.020 4.258 4.110 4.431 . 0 0 "[ . 1 . 2]" 1
392 1 46 THR HA 1 48 VAL H 5.530 . 6.080 4.789 4.647 4.976 . 0 0 "[ . 1 . 2]" 1
393 1 47 GLN HA 1 49 LYS H 4.960 . 5.460 4.599 4.440 4.794 . 0 0 "[ . 1 . 2]" 1
394 1 46 THR HA 1 49 LYS H 3.980 . 4.380 3.791 3.492 4.028 . 0 0 "[ . 1 . 2]" 1
395 1 47 GLN HA 1 50 ILE H 4.520 . 4.970 3.653 3.192 4.074 . 0 0 "[ . 1 . 2]" 1
396 1 49 LYS H 1 51 TRP H 4.670 . 5.140 4.262 4.075 4.694 . 0 0 "[ . 1 . 2]" 1
397 1 48 VAL HA 1 51 TRP H 3.860 . 4.250 3.630 3.487 3.836 . 0 0 "[ . 1 . 2]" 1
398 1 51 TRP H 1 53 GLN H 5.270 . 5.800 4.142 3.892 4.290 . 0 0 "[ . 1 . 2]" 1
399 1 50 ILE H 1 52 PHE H 5.030 . 5.530 4.512 4.368 4.790 . 0 0 "[ . 1 . 2]" 1
400 1 49 LYS HA 1 52 PHE H 4.650 . 5.120 3.853 3.567 4.080 . 0 0 "[ . 1 . 2]" 1
401 1 48 VAL HA 1 52 PHE H 4.570 . 5.030 4.041 3.768 4.197 . 0 0 "[ . 1 . 2]" 1
402 1 51 TRP HA 1 53 GLN H 5.510 . 6.060 4.487 4.292 4.673 . 0 0 "[ . 1 . 2]" 1
403 1 50 ILE HA 1 53 GLN H 3.880 . 4.270 3.584 3.173 3.813 . 0 0 "[ . 1 . 2]" 1
404 1 49 LYS HA 1 53 GLN H 4.740 . 5.210 4.145 3.949 4.395 . 0 0 "[ . 1 . 2]" 1
405 1 52 PHE H 1 54 ASN H 5.310 . 5.840 4.575 4.371 4.772 . 0 0 "[ . 1 . 2]" 1
406 1 51 TRP HA 1 54 ASN H 4.460 . 4.910 3.759 3.419 4.033 . 0 0 "[ . 1 . 2]" 1
407 1 50 ILE HA 1 54 ASN H 4.330 . 4.760 4.034 3.750 4.223 . 0 0 "[ . 1 . 2]" 1
408 1 54 ASN H 1 56 ARG H 4.990 . 5.490 4.247 4.035 4.507 . 0 0 "[ . 1 . 2]" 1
409 1 56 ARG H 1 58 LYS H 4.800 . 5.280 3.864 3.680 4.114 . 0 0 "[ . 1 . 2]" 1
410 1 54 ASN HA 1 57 TYR H 4.090 . 4.500 3.376 2.856 3.689 . 0 0 "[ . 1 . 2]" 1
411 1 55 ARG HA 1 58 LYS H 4.740 . 5.210 3.165 2.899 3.688 . 0 0 "[ . 1 . 2]" 1
412 1 14 THR H 1 15 GLN HB2 5.010 . 5.510 4.974 4.813 5.112 . 0 0 "[ . 1 . 2]" 1
413 1 12 SER H 1 15 GLN H 4.880 . 5.370 4.299 3.888 4.707 . 0 0 "[ . 1 . 2]" 1
414 1 15 GLN H 1 16 VAL MG2 4.650 . 5.120 4.250 4.084 4.475 . 0 0 "[ . 1 . 2]" 1
415 1 11 MET HB3 1 15 GLN H 5.260 . 5.790 5.242 4.807 5.557 . 0 0 "[ . 1 . 2]" 1
416 1 15 GLN H 1 16 VAL HB 5.170 . 5.690 4.885 4.762 5.032 . 0 0 "[ . 1 . 2]" 1
417 1 15 GLN HE21 1 41 LEU HG 5.230 . 5.750 4.921 4.710 5.269 . 0 0 "[ . 1 . 2]" 1
418 1 15 GLN HE21 1 42 LYS HB2 4.350 . 4.790 4.524 4.242 4.847 0.057 2 0 "[ . 1 . 2]" 1
419 1 15 GLN HE21 1 43 LEU HG 3.760 . 4.140 2.911 2.005 3.791 . 0 0 "[ . 1 . 2]" 1
420 1 15 GLN HE21 1 43 LEU MD2 3.670 . 4.040 3.390 2.696 4.067 0.027 20 0 "[ . 1 . 2]" 1
421 1 15 GLN HE21 1 41 LEU MD2 4.770 . 5.250 3.345 2.914 4.249 . 0 0 "[ . 1 . 2]" 1
422 1 15 GLN HE21 1 43 LEU MD1 4.620 . 5.080 3.441 2.543 4.185 . 0 0 "[ . 1 . 2]" 1
423 1 15 GLN HE22 1 43 LEU HG 3.840 . 4.220 2.911 2.538 3.508 . 0 0 "[ . 1 . 2]" 1
424 1 15 GLN HE22 1 42 LYS HB3 5.560 . 6.120 5.435 5.045 5.757 . 0 0 "[ . 1 . 2]" 1
425 1 15 GLN HE22 1 42 LYS HB2 4.230 . 4.650 4.159 3.848 4.475 . 0 0 "[ . 1 . 2]" 1
426 1 15 GLN HE22 1 43 LEU MD1 4.460 . 4.910 3.661 3.222 4.167 . 0 0 "[ . 1 . 2]" 1
427 1 15 GLN HE22 1 43 LEU MD2 3.430 . 3.770 2.524 2.062 3.204 . 0 0 "[ . 1 . 2]" 1
428 1 11 MET HB2 1 16 VAL H 5.390 . 5.930 4.567 3.653 5.312 . 0 0 "[ . 1 . 2]" 1
429 1 16 VAL H 1 17 ILE HB 5.870 . 6.460 4.945 4.768 5.071 . 0 0 "[ . 1 . 2]" 1
430 1 11 MET HB3 1 16 VAL H 4.500 . 4.950 3.880 3.253 4.517 . 0 0 "[ . 1 . 2]" 1
431 1 16 VAL MG1 1 19 LEU H 4.940 . 5.430 4.766 4.575 4.917 . 0 0 "[ . 1 . 2]" 1
432 1 16 VAL MG1 1 20 GLU H 4.370 . 4.810 3.999 3.851 4.170 . 0 0 "[ . 1 . 2]" 1
433 1 20 GLU H 1 51 TRP HZ2 4.940 . 5.430 3.992 3.703 4.191 . 0 0 "[ . 1 . 2]" 1
434 1 18 GLU H 1 21 ARG H 5.160 . 5.680 4.719 4.620 4.837 . 0 0 "[ . 1 . 2]" 1
435 1 17 ILE MG 1 21 ARG H 4.720 . 5.190 4.108 3.943 4.223 . 0 0 "[ . 1 . 2]" 1
436 1 22 LYS H 1 37 LEU MD1 5.250 . 5.780 4.249 3.748 4.626 . 0 0 "[ . 1 . 2]" 1
437 1 22 LYS H 1 37 LEU MD2 5.670 . 6.240 4.412 4.129 4.769 . 0 0 "[ . 1 . 2]" 1
438 1 22 LYS HA 1 25 HIS H 4.640 . 5.100 3.651 3.215 3.952 . 0 0 "[ . 1 . 2]" 1
439 1 23 PHE HA 1 26 GLN H 3.890 . 4.280 3.416 3.151 3.699 . 0 0 "[ . 1 . 2]" 1
440 1 26 GLN HE21 1 29 LEU HA 4.320 . 4.750 2.228 1.811 3.487 . 0 0 "[ . 1 . 2]" 1
441 1 26 GLN HE22 1 29 LEU HA 4.320 . 4.750 2.823 2.471 3.139 . 0 0 "[ . 1 . 2]" 1
442 1 26 GLN HE21 1 29 LEU MD2 3.910 . 4.300 2.173 1.943 3.388 . 0 0 "[ . 1 . 2]" 1
443 1 26 GLN HE22 1 29 LEU MD2 3.910 . 4.300 2.912 2.484 3.501 . 0 0 "[ . 1 . 2]" 1
444 1 26 GLN HA 1 28 TYR H 4.540 . 4.990 3.955 3.780 4.200 . 0 0 "[ . 1 . 2]" 1
445 1 30 SER H 1 34 ARG H 4.510 . 4.960 4.189 3.912 4.382 . 0 0 "[ . 1 . 2]" 1
446 1 30 SER H 1 33 GLU HB3 3.910 . 4.300 3.907 3.300 4.346 0.046 1 0 "[ . 1 . 2]" 1
447 1 30 SER H 1 33 GLU HB2 3.360 . 3.700 2.491 1.967 2.827 . 0 0 "[ . 1 . 2]" 1
448 1 31 ALA H 1 32 PRO HD3 4.180 . 4.600 3.366 2.844 3.672 . 0 0 "[ . 1 . 2]" 1
449 1 31 ALA H 1 32 PRO HD2 4.230 . 4.650 2.567 2.275 3.001 . 0 0 "[ . 1 . 2]" 1
450 1 30 SER H 1 33 GLU H 4.650 . 5.120 3.900 3.640 4.206 . 0 0 "[ . 1 . 2]" 1
451 1 29 LEU HB3 1 34 ARG H 3.910 . 4.300 2.975 2.721 3.297 . 0 0 "[ . 1 . 2]" 1
452 1 29 LEU MD2 1 34 ARG H 4.740 . 5.210 4.455 3.823 5.015 . 0 0 "[ . 1 . 2]" 1
453 1 29 LEU MD1 1 34 ARG H 4.410 . 4.850 3.691 3.478 3.888 . 0 0 "[ . 1 . 2]" 1
454 1 35 ALA H 1 45 GLU HG2 4.470 . 4.920 3.620 3.315 4.211 . 0 0 "[ . 1 . 2]" 1
455 1 33 GLU HB2 1 35 ALA H 5.080 . 5.590 5.172 4.950 5.526 . 0 0 "[ . 1 . 2]" 1
456 1 36 HIS H 1 37 LEU HB3 5.390 . 5.930 4.970 4.793 5.159 . 0 0 "[ . 1 . 2]" 1
457 1 36 HIS H 1 39 LYS HD2 6.000 . 6.600 5.526 4.942 6.782 0.182 16 0 "[ . 1 . 2]" 1
458 1 36 HIS H 1 39 LYS HD3 6.000 . 6.600 5.404 4.809 6.704 0.104 3 0 "[ . 1 . 2]" 1
459 1 37 LEU H 1 38 ALA MB 4.450 . 4.890 4.266 4.098 4.377 . 0 0 "[ . 1 . 2]" 1
460 1 39 LYS H 1 48 VAL MG2 4.730 . 5.200 4.961 4.863 5.192 . 0 0 "[ . 1 . 2]" 1
461 1 39 LYS H 1 40 ASN HB2 4.970 . 5.470 4.870 4.689 5.075 . 0 0 "[ . 1 . 2]" 1
462 1 38 ALA MB 1 40 ASN H 4.460 . 4.910 4.514 4.374 4.611 . 0 0 "[ . 1 . 2]" 1
463 1 37 LEU MD1 1 40 ASN H 4.860 . 5.350 4.952 4.603 5.204 . 0 0 "[ . 1 . 2]" 1
464 1 40 ASN H 1 41 LEU MD2 5.030 . 5.530 5.368 4.866 5.579 0.049 13 0 "[ . 1 . 2]" 1
465 1 37 LEU HA 1 40 ASN HD21 4.960 . 5.460 3.146 2.117 4.723 . 0 0 "[ . 1 . 2]" 1
466 1 37 LEU HA 1 40 ASN HD22 4.960 . 5.460 4.207 3.207 5.268 . 0 0 "[ . 1 . 2]" 1
467 1 41 LEU H 1 42 LYS HA 4.510 . 4.960 4.545 4.446 4.642 . 0 0 "[ . 1 . 2]" 1
468 1 37 LEU MD1 1 41 LEU H 5.250 . 5.780 4.554 4.204 5.087 . 0 0 "[ . 1 . 2]" 1
469 1 41 LEU H 1 48 VAL MG2 5.720 . 6.290 5.196 4.970 5.442 . 0 0 "[ . 1 . 2]" 1
470 1 39 LYS HA 1 42 LYS H 4.080 . 4.490 3.341 2.995 3.653 . 0 0 "[ . 1 . 2]" 1
471 1 43 LEU H 1 48 VAL MG2 4.620 . 5.080 4.407 4.269 4.585 . 0 0 "[ . 1 . 2]" 1
472 1 41 LEU MD1 1 43 LEU H 5.220 . 5.740 4.910 4.720 5.107 . 0 0 "[ . 1 . 2]" 1
473 1 38 ALA HA 1 43 LEU H 3.750 . 4.130 3.287 3.068 3.483 . 0 0 "[ . 1 . 2]" 1
474 1 39 LYS HA 1 43 LEU H 4.480 . 4.930 4.250 4.025 4.500 . 0 0 "[ . 1 . 2]" 1
475 1 41 LEU H 1 43 LEU H 4.380 . 4.820 3.526 3.358 3.643 . 0 0 "[ . 1 . 2]" 1
476 1 44 THR H 1 48 VAL H 5.050 . 5.560 3.973 3.735 4.140 . 0 0 "[ . 1 . 2]" 1
477 1 44 THR H 1 48 VAL MG2 4.710 . 5.180 3.661 3.466 3.849 . 0 0 "[ . 1 . 2]" 1
478 1 44 THR H 1 47 GLN HG3 4.800 . 5.280 3.257 2.979 3.809 . 0 0 "[ . 1 . 2]" 1
479 1 44 THR H 1 47 GLN HB2 3.750 . 4.130 2.325 2.050 2.680 . 0 0 "[ . 1 . 2]" 1
480 1 38 ALA MB 1 45 GLU H 4.030 . 4.430 3.216 3.015 3.462 . 0 0 "[ . 1 . 2]" 1
481 1 44 THR HA 1 46 THR H 4.180 . 4.600 4.190 4.018 4.428 . 0 0 "[ . 1 . 2]" 1
482 1 47 GLN H 1 48 VAL MG2 4.280 . 4.710 4.244 4.173 4.348 . 0 0 "[ . 1 . 2]" 1
483 1 47 GLN H 1 48 VAL HB 5.100 . 5.610 4.940 4.819 5.124 . 0 0 "[ . 1 . 2]" 1
484 1 43 LEU MD2 1 47 GLN HE21 4.120 . 4.530 2.556 1.839 4.335 . 0 0 "[ . 1 . 2]" 1
485 1 43 LEU MD2 1 47 GLN HE22 4.120 . 4.530 2.471 2.167 3.487 . 0 0 "[ . 1 . 2]" 1
486 1 44 THR H 1 47 GLN H 4.120 . 4.530 3.529 3.227 3.848 . 0 0 "[ . 1 . 2]" 1
487 1 38 ALA MB 1 48 VAL H 4.830 . 5.310 4.245 4.088 4.586 . 0 0 "[ . 1 . 2]" 1
488 1 49 LYS H 1 51 TRP HB3 5.920 . 6.510 5.338 5.079 5.687 . 0 0 "[ . 1 . 2]" 1
489 1 16 VAL HA 1 51 TRP HE1 4.840 . 5.320 3.704 3.051 4.153 . 0 0 "[ . 1 . 2]" 1
490 1 16 VAL HB 1 51 TRP HE1 4.950 . 5.440 4.860 4.351 5.486 0.046 17 0 "[ . 1 . 2]" 1
491 1 16 VAL MG1 1 51 TRP HE1 3.220 . 3.540 2.213 1.805 2.970 . 0 0 "[ . 1 . 2]" 1
492 1 49 LYS HB3 1 51 TRP H 5.570 . 6.130 5.143 4.915 5.479 . 0 0 "[ . 1 . 2]" 1
493 1 48 VAL MG1 1 52 PHE H 4.710 . 5.180 4.061 3.930 4.186 . 0 0 "[ . 1 . 2]" 1
494 1 50 ILE MG 1 54 ASN H 4.390 . 4.830 4.008 3.794 4.210 . 0 0 "[ . 1 . 2]" 1
495 1 50 ILE MG 1 54 ASN HD21 3.570 . 3.930 2.666 2.084 3.603 . 0 0 "[ . 1 . 2]" 1
496 1 50 ILE MG 1 54 ASN HD22 3.570 . 3.930 2.242 1.889 2.711 . 0 0 "[ . 1 . 2]" 1
497 1 23 PHE QE 1 56 ARG H 4.610 . 5.070 3.527 3.164 4.060 . 0 0 "[ . 1 . 2]" 1
498 1 11 MET HG2 1 12 SER H 5.320 . 5.850 4.491 3.894 5.020 . 0 0 "[ . 1 . 2]" 1
499 1 12 SER H 1 15 GLN HB2 4.030 . 4.430 3.480 3.067 3.804 . 0 0 "[ . 1 . 2]" 1
500 1 19 LEU MD1 1 51 TRP HE1 4.310 . 4.740 3.269 2.855 3.543 . 0 0 "[ . 1 . 2]" 1
501 1 52 PHE H 1 52 PHE QE 4.890 . 5.380 4.486 4.312 4.666 . 0 0 "[ . 1 . 2]" 1
502 1 44 THR HB 1 46 THR H 3.190 . 3.510 2.777 2.579 3.020 . 0 0 "[ . 1 . 2]" 1
503 1 11 MET HA 1 11 MET HG2 3.760 . 4.140 3.261 2.560 3.790 . 0 0 "[ . 1 . 2]" 1
504 1 14 THR HA 1 14 THR MG 3.140 . 3.450 2.435 2.334 2.517 . 0 0 "[ . 1 . 2]" 1
505 1 15 GLN HA 1 15 GLN HG3 3.680 . 4.050 2.644 2.586 2.725 . 0 0 "[ . 1 . 2]" 1
506 1 15 GLN H 1 15 GLN HG2 4.740 . 5.210 4.445 4.364 4.523 . 0 0 "[ . 1 . 2]" 1
507 1 15 GLN HA 1 15 GLN HG2 3.800 . 4.180 3.311 3.169 3.436 . 0 0 "[ . 1 . 2]" 1
508 1 16 VAL HA 1 16 VAL MG1 3.280 . 3.610 2.524 2.466 2.619 . 0 0 "[ . 1 . 2]" 1
509 1 16 VAL HA 1 16 VAL MG2 3.260 . 3.590 2.430 2.346 2.495 . 0 0 "[ . 1 . 2]" 1
510 1 16 VAL H 1 16 VAL MG1 3.960 . 4.360 3.832 3.805 3.849 . 0 0 "[ . 1 . 2]" 1
511 1 17 ILE HA 1 17 ILE MG 3.260 . 3.590 2.515 2.458 2.595 . 0 0 "[ . 1 . 2]" 1
512 1 17 ILE HA 1 17 ILE HG12 3.760 . 4.140 2.628 2.553 3.200 . 0 0 "[ . 1 . 2]" 1
513 1 17 ILE HA 1 17 ILE MD 4.020 . 4.420 3.814 2.216 3.927 . 0 0 "[ . 1 . 2]" 1
514 1 17 ILE HB 1 17 ILE MD 3.440 . 3.780 2.519 2.464 3.278 . 0 0 "[ . 1 . 2]" 1
515 1 17 ILE HG12 1 17 ILE MG 3.480 . 3.830 2.505 2.441 3.244 . 0 0 "[ . 1 . 2]" 1
516 1 17 ILE MD 1 17 ILE MG 2.970 . 3.270 2.023 1.994 2.098 . 0 0 "[ . 1 . 2]" 1
517 1 17 ILE HA 1 17 ILE HG13 3.760 . 4.140 3.090 2.942 3.838 . 0 0 "[ . 1 . 2]" 1
518 1 17 ILE HG13 1 17 ILE MG 3.480 . 3.830 3.212 2.378 3.261 . 0 0 "[ . 1 . 2]" 1
519 1 18 GLU HA 1 18 GLU HB3 2.830 . 3.110 2.509 2.420 2.638 . 0 0 "[ . 1 . 2]" 1
520 1 18 GLU HA 1 18 GLU HG3 4.000 . 4.400 3.819 3.730 3.860 . 0 0 "[ . 1 . 2]" 1
521 1 18 GLU HA 1 18 GLU HG2 3.720 . 4.090 3.098 2.845 3.425 . 0 0 "[ . 1 . 2]" 1
522 1 19 LEU HA 1 41 LEU MD1 4.450 . 4.890 3.393 2.947 3.752 . 0 0 "[ . 1 . 2]" 1
523 1 19 LEU HA 1 19 LEU HG 3.890 . 4.280 2.930 2.814 3.030 . 0 0 "[ . 1 . 2]" 1
524 1 19 LEU HA 1 19 LEU MD2 3.080 . 3.390 2.214 2.133 2.335 . 0 0 "[ . 1 . 2]" 1
525 1 19 LEU HA 1 19 LEU MD1 4.490 . 4.940 3.960 3.940 3.978 . 0 0 "[ . 1 . 2]" 1
526 1 19 LEU HG 1 41 LEU MD1 3.550 . 3.900 2.126 1.991 2.275 . 0 0 "[ . 1 . 2]" 1
527 1 19 LEU MD2 1 41 LEU MD1 3.190 . 3.510 2.301 2.197 2.421 . 0 0 "[ . 1 . 2]" 1
528 1 20 GLU HA 1 20 GLU HG2 3.840 . 4.220 2.606 2.432 2.932 . 0 0 "[ . 1 . 2]" 1
529 1 20 GLU HA 1 20 GLU HG3 3.840 . 4.220 3.183 2.922 3.823 . 0 0 "[ . 1 . 2]" 1
530 1 21 ARG HA 1 21 ARG HB3 2.880 . 3.170 2.548 2.466 2.687 . 0 0 "[ . 1 . 2]" 1
531 1 21 ARG HA 1 21 ARG HG2 3.590 . 3.950 2.661 2.458 3.707 . 0 0 "[ . 1 . 2]" 1
532 1 21 ARG HA 1 21 ARG HG3 3.590 . 3.950 3.002 2.503 3.241 . 0 0 "[ . 1 . 2]" 1
533 1 21 ARG HA 1 21 ARG HD2 4.900 . 5.390 4.694 2.726 4.906 . 0 0 "[ . 1 . 2]" 1
534 1 21 ARG HA 1 21 ARG HD3 4.900 . 5.390 4.610 3.769 4.767 . 0 0 "[ . 1 . 2]" 1
535 1 21 ARG HB2 1 21 ARG HD3 4.030 . 4.430 2.745 2.497 3.862 . 0 0 "[ . 1 . 2]" 1
536 1 21 ARG HB2 1 21 ARG HD2 4.030 . 4.430 3.326 2.397 3.740 . 0 0 "[ . 1 . 2]" 1
537 1 22 LYS HA 1 22 LYS HG2 3.770 . 4.150 3.795 3.756 3.833 . 0 0 "[ . 1 . 2]" 1
538 1 22 LYS HA 1 22 LYS HG3 3.840 . 4.220 3.059 2.720 3.206 . 0 0 "[ . 1 . 2]" 1
539 1 22 LYS HA 1 22 LYS HD2 3.470 . 3.820 2.415 2.034 3.802 . 0 0 "[ . 1 . 2]" 1
540 1 22 LYS HA 1 22 LYS HD3 3.470 . 3.820 2.913 2.052 3.492 . 0 0 "[ . 1 . 2]" 1
541 1 22 LYS HA 1 22 LYS HE2 5.090 . 5.600 4.567 2.679 4.977 . 0 0 "[ . 1 . 2]" 1
542 1 22 LYS HE2 1 22 LYS HG2 3.830 . 4.210 2.818 2.545 3.749 . 0 0 "[ . 1 . 2]" 1
543 1 22 LYS HE2 1 22 LYS HG3 4.030 . 4.430 3.295 2.544 3.825 . 0 0 "[ . 1 . 2]" 1
544 1 22 LYS HA 1 22 LYS HE3 5.090 . 5.600 4.476 4.067 4.913 . 0 0 "[ . 1 . 2]" 1
545 1 22 LYS HE3 1 22 LYS HG2 3.830 . 4.210 2.998 2.496 3.782 . 0 0 "[ . 1 . 2]" 1
546 1 22 LYS HE3 1 22 LYS HG3 4.030 . 4.430 2.931 2.531 3.865 . 0 0 "[ . 1 . 2]" 1
547 1 25 HIS H 1 25 HIS HB2 3.990 . 4.390 2.431 2.299 2.630 . 0 0 "[ . 1 . 2]" 1
548 1 26 GLN HA 1 26 GLN HG2 4.060 . 4.470 3.786 3.752 3.840 . 0 0 "[ . 1 . 2]" 1
549 1 27 LYS HA 1 27 LYS HG2 3.940 . 4.330 3.167 2.945 3.378 . 0 0 "[ . 1 . 2]" 1
550 1 27 LYS HA 1 27 LYS HG3 3.940 . 4.330 3.807 3.750 3.876 . 0 0 "[ . 1 . 2]" 1
551 1 27 LYS HB2 1 56 ARG HD3 6.000 . 6.600 4.637 3.332 6.431 . 0 0 "[ . 1 . 2]" 1
552 1 28 TYR HA 1 28 TYR QD 3.650 . 4.020 2.978 2.635 3.783 . 0 0 "[ . 1 . 2]" 1
553 1 29 LEU HA 1 29 LEU HG 4.110 . 4.520 3.273 3.000 3.486 . 0 0 "[ . 1 . 2]" 1
554 1 29 LEU HA 1 29 LEU MD1 4.230 . 4.650 3.898 3.829 3.944 . 0 0 "[ . 1 . 2]" 1
555 1 29 LEU HA 1 29 LEU MD2 3.310 . 3.640 2.109 2.013 2.228 . 0 0 "[ . 1 . 2]" 1
556 1 32 PRO HD2 1 33 GLU HB2 4.770 . 5.250 4.924 4.598 5.226 . 0 0 "[ . 1 . 2]" 1
557 1 33 GLU HA 1 33 GLU HB3 2.990 . 3.290 2.506 2.426 2.634 . 0 0 "[ . 1 . 2]" 1
558 1 33 GLU HA 1 33 GLU HG2 3.760 . 4.140 3.029 2.538 3.735 . 0 0 "[ . 1 . 2]" 1
559 1 33 GLU HA 1 33 GLU HG3 3.760 . 4.140 3.315 2.446 3.862 . 0 0 "[ . 1 . 2]" 1
560 1 33 GLU H 1 33 GLU HG2 4.010 . 4.410 3.009 2.089 4.075 . 0 0 "[ . 1 . 2]" 1
561 1 34 ARG HA 1 34 ARG HG2 4.100 . 4.510 3.157 3.047 3.442 . 0 0 "[ . 1 . 2]" 1
562 1 34 ARG HA 1 34 ARG HG3 3.730 . 4.100 2.634 2.558 2.766 . 0 0 "[ . 1 . 2]" 1
563 1 34 ARG HA 1 34 ARG HD2 5.080 . 5.590 4.896 4.729 5.083 . 0 0 "[ . 1 . 2]" 1
564 1 34 ARG HA 1 34 ARG HD3 5.080 . 5.590 4.515 4.361 4.882 . 0 0 "[ . 1 . 2]" 1
565 1 34 ARG HD3 1 49 LYS HB2 4.330 . 4.760 2.908 2.031 3.562 . 0 0 "[ . 1 . 2]" 1
566 1 36 HIS HA 1 36 HIS HD2 4.960 . 5.460 4.199 2.441 4.920 . 0 0 "[ . 1 . 2]" 1
567 1 37 LEU HA 1 37 LEU HG 3.830 . 4.210 3.140 2.997 3.244 . 0 0 "[ . 1 . 2]" 1
568 1 37 LEU HA 1 37 LEU MD2 3.930 . 4.320 3.944 3.900 3.974 . 0 0 "[ . 1 . 2]" 1
569 1 37 LEU HB3 1 37 LEU MD2 3.330 . 3.660 2.354 2.318 2.414 . 0 0 "[ . 1 . 2]" 1
570 1 37 LEU HB3 1 37 LEU MD1 3.480 . 3.830 3.261 3.250 3.270 . 0 0 "[ . 1 . 2]" 1
571 1 37 LEU H 1 37 LEU HG 4.470 . 4.920 4.538 4.487 4.579 . 0 0 "[ . 1 . 2]" 1
572 1 37 LEU H 1 37 LEU MD2 4.350 . 4.790 4.313 4.231 4.374 . 0 0 "[ . 1 . 2]" 1
573 1 37 LEU HB2 1 37 LEU MD2 2.800 . 3.080 2.470 2.405 2.533 . 0 0 "[ . 1 . 2]" 1
574 1 22 LYS HG2 1 37 LEU MD2 3.480 . 3.830 1.838 1.737 2.082 0.063 3 0 "[ . 1 . 2]" 1
575 1 37 LEU H 1 37 LEU MD1 4.250 . 4.680 4.157 4.056 4.236 . 0 0 "[ . 1 . 2]" 1
576 1 37 LEU HA 1 37 LEU MD1 2.970 . 3.270 2.137 2.036 2.207 . 0 0 "[ . 1 . 2]" 1
577 1 37 LEU HB2 1 37 LEU MD1 3.190 . 3.510 2.452 2.416 2.512 . 0 0 "[ . 1 . 2]" 1
578 1 22 LYS HG2 1 37 LEU MD1 3.670 . 4.040 2.989 2.549 3.557 . 0 0 "[ . 1 . 2]" 1
579 1 39 LYS HA 1 39 LYS HB2 2.950 . 3.250 2.449 2.391 2.493 . 0 0 "[ . 1 . 2]" 1
580 1 39 LYS HA 1 39 LYS HG2 3.950 . 4.350 3.817 3.769 3.884 . 0 0 "[ . 1 . 2]" 1
581 1 39 LYS HA 1 39 LYS HG3 3.890 . 4.280 3.819 3.765 3.861 . 0 0 "[ . 1 . 2]" 1
582 1 39 LYS H 1 39 LYS HD2 5.520 . 6.070 4.250 3.971 4.813 . 0 0 "[ . 1 . 2]" 1
583 1 39 LYS H 1 39 LYS HD3 5.520 . 6.070 4.562 3.945 4.821 . 0 0 "[ . 1 . 2]" 1
584 1 39 LYS HA 1 39 LYS HE2 6.000 . 6.600 5.286 4.466 6.335 . 0 0 "[ . 1 . 2]" 1
585 1 39 LYS HA 1 39 LYS HE3 6.000 . 6.600 5.306 4.447 6.266 . 0 0 "[ . 1 . 2]" 1
586 1 40 ASN H 1 40 ASN HB3 3.680 . 4.050 3.629 3.595 3.658 . 0 0 "[ . 1 . 2]" 1
587 1 41 LEU HA 1 41 LEU HG 3.970 . 4.370 3.194 3.071 3.401 . 0 0 "[ . 1 . 2]" 1
588 1 41 LEU HA 1 41 LEU MD2 2.840 . 3.120 2.066 1.973 2.168 . 0 0 "[ . 1 . 2]" 1
589 1 41 LEU HB2 1 41 LEU MD2 3.440 . 3.780 3.250 3.240 3.260 . 0 0 "[ . 1 . 2]" 1
590 1 41 LEU HB2 1 41 LEU MD1 3.270 . 3.600 2.397 2.363 2.469 . 0 0 "[ . 1 . 2]" 1
591 1 41 LEU H 1 41 LEU HB3 3.800 . 4.180 3.688 3.638 3.722 . 0 0 "[ . 1 . 2]" 1
592 1 41 LEU HB3 1 41 LEU MD2 3.300 . 3.630 2.468 2.432 2.567 . 0 0 "[ . 1 . 2]" 1
593 1 41 LEU HB3 1 41 LEU MD1 3.200 . 3.520 2.439 2.367 2.493 . 0 0 "[ . 1 . 2]" 1
594 1 41 LEU HA 1 41 LEU MD1 4.390 . 4.830 3.915 3.876 3.943 . 0 0 "[ . 1 . 2]" 1
595 1 42 LYS HA 1 42 LYS HD2 4.400 . 4.840 2.966 2.366 3.252 . 0 0 "[ . 1 . 2]" 1
596 1 42 LYS HB3 1 42 LYS HD2 3.950 . 4.350 3.310 2.450 3.864 . 0 0 "[ . 1 . 2]" 1
597 1 42 LYS HB2 1 42 LYS HD2 3.820 . 4.200 3.363 2.964 3.789 . 0 0 "[ . 1 . 2]" 1
598 1 42 LYS HA 1 42 LYS HD3 4.400 . 4.840 3.251 2.004 4.219 . 0 0 "[ . 1 . 2]" 1
599 1 42 LYS HB3 1 42 LYS HD3 3.950 . 4.350 3.511 2.993 3.849 . 0 0 "[ . 1 . 2]" 1
600 1 42 LYS HB2 1 42 LYS HD3 3.820 . 4.200 3.090 2.524 3.859 . 0 0 "[ . 1 . 2]" 1
601 1 42 LYS HA 1 42 LYS HE2 6.000 . 6.600 4.850 4.133 5.379 . 0 0 "[ . 1 . 2]" 1
602 1 42 LYS HA 1 42 LYS HE3 6.000 . 6.600 4.585 4.056 5.179 . 0 0 "[ . 1 . 2]" 1
603 1 43 LEU HA 1 43 LEU HG 3.470 . 3.820 3.144 3.023 3.225 . 0 0 "[ . 1 . 2]" 1
604 1 43 LEU HA 1 43 LEU MD2 2.930 . 3.220 2.098 2.045 2.169 . 0 0 "[ . 1 . 2]" 1
605 1 43 LEU HA 1 43 LEU MD1 4.210 . 4.630 3.945 3.912 3.980 . 0 0 "[ . 1 . 2]" 1
606 1 41 LEU HB2 1 43 LEU HG 3.560 . 3.920 2.732 2.268 3.061 . 0 0 "[ . 1 . 2]" 1
607 1 43 LEU HB3 1 43 LEU MD2 3.290 . 3.620 2.435 2.400 2.486 . 0 0 "[ . 1 . 2]" 1
608 1 44 THR H 1 44 THR MG 3.200 . 3.520 2.611 2.467 2.780 . 0 0 "[ . 1 . 2]" 1
609 1 44 THR HA 1 44 THR MG 3.230 . 3.550 2.479 2.406 2.558 . 0 0 "[ . 1 . 2]" 1
610 1 45 GLU HA 1 45 GLU HG2 3.750 . 4.130 2.684 2.446 3.760 . 0 0 "[ . 1 . 2]" 1
611 1 45 GLU HA 1 45 GLU HG3 3.820 . 4.200 3.040 2.541 3.206 . 0 0 "[ . 1 . 2]" 1
612 1 45 GLU H 1 45 GLU HG2 4.330 . 4.760 3.489 3.277 3.897 . 0 0 "[ . 1 . 2]" 1
613 1 46 THR HA 1 46 THR MG 3.150 . 3.470 2.459 2.410 2.509 . 0 0 "[ . 1 . 2]" 1
614 1 47 GLN HA 1 47 GLN HG2 3.390 . 3.730 2.598 2.427 2.707 . 0 0 "[ . 1 . 2]" 1
615 1 47 GLN HA 1 47 GLN HG3 3.390 . 3.730 3.040 2.926 3.136 . 0 0 "[ . 1 . 2]" 1
616 1 48 VAL HA 1 48 VAL MG2 3.150 . 3.470 2.419 2.387 2.439 . 0 0 "[ . 1 . 2]" 1
617 1 48 VAL HA 1 48 VAL MG1 3.180 . 3.500 2.512 2.473 2.566 . 0 0 "[ . 1 . 2]" 1
618 1 38 ALA HA 1 48 VAL MG2 3.060 . 3.370 2.324 2.221 2.436 . 0 0 "[ . 1 . 2]" 1
619 1 49 LYS HA 1 49 LYS HG2 3.890 . 4.280 3.134 2.586 3.289 . 0 0 "[ . 1 . 2]" 1
620 1 49 LYS HA 1 49 LYS HG3 3.890 . 4.280 2.702 2.516 3.693 . 0 0 "[ . 1 . 2]" 1
621 1 49 LYS HA 1 49 LYS HD2 5.230 . 5.750 4.808 3.752 5.010 . 0 0 "[ . 1 . 2]" 1
622 1 49 LYS HA 1 49 LYS HD3 5.230 . 5.750 4.496 4.349 4.791 . 0 0 "[ . 1 . 2]" 1
623 1 50 ILE HA 1 50 ILE MG 3.140 . 3.450 2.545 2.445 2.606 . 0 0 "[ . 1 . 2]" 1
624 1 50 ILE HA 1 50 ILE HG12 3.440 . 3.780 2.576 2.456 2.680 . 0 0 "[ . 1 . 2]" 1
625 1 50 ILE HA 1 50 ILE HG13 3.630 . 3.990 2.974 2.880 3.140 . 0 0 "[ . 1 . 2]" 1
626 1 50 ILE MD 1 50 ILE MG 2.980 . 3.280 2.021 1.980 2.060 . 0 0 "[ . 1 . 2]" 1
627 1 50 ILE HG12 1 50 ILE MG 3.380 . 3.720 2.448 2.407 2.506 . 0 0 "[ . 1 . 2]" 1
628 1 50 ILE HG13 1 50 ILE MG 3.460 . 3.810 3.255 3.246 3.260 . 0 0 "[ . 1 . 2]" 1
629 1 50 ILE H 1 50 ILE MD 4.180 . 4.600 3.634 3.539 3.754 . 0 0 "[ . 1 . 2]" 1
630 1 50 ILE HA 1 50 ILE MD 4.050 . 4.460 3.880 3.820 3.932 . 0 0 "[ . 1 . 2]" 1
631 1 50 ILE HB 1 50 ILE MD 3.400 . 3.740 2.462 2.408 2.513 . 0 0 "[ . 1 . 2]" 1
632 1 52 PHE H 1 52 PHE HB3 3.890 . 4.280 3.592 3.569 3.619 . 0 0 "[ . 1 . 2]" 1
633 1 53 GLN HA 1 53 GLN HG2 3.910 . 4.300 3.244 3.026 3.851 . 0 0 "[ . 1 . 2]" 1
634 1 53 GLN HA 1 53 GLN HG3 3.910 . 4.300 2.759 2.521 3.312 . 0 0 "[ . 1 . 2]" 1
635 1 53 GLN H 1 53 GLN HG3 4.680 . 5.150 4.524 4.454 4.581 . 0 0 "[ . 1 . 2]" 1
636 1 55 ARG HA 1 55 ARG HD3 4.320 . 4.750 3.748 3.034 4.274 . 0 0 "[ . 1 . 2]" 1
637 1 56 ARG HA 1 56 ARG HG2 3.870 . 4.260 2.624 2.486 3.105 . 0 0 "[ . 1 . 2]" 1
638 1 56 ARG HA 1 56 ARG HG3 3.870 . 4.260 3.141 2.742 3.742 . 0 0 "[ . 1 . 2]" 1
639 1 56 ARG HA 1 56 ARG HD2 5.340 . 5.870 4.401 2.083 4.907 . 0 0 "[ . 1 . 2]" 1
640 1 56 ARG HA 1 56 ARG HD3 5.340 . 5.870 4.585 3.508 4.925 . 0 0 "[ . 1 . 2]" 1
641 1 58 LYS HA 1 58 LYS HG2 3.980 . 4.380 2.752 2.354 3.424 . 0 0 "[ . 1 . 2]" 1
642 1 58 LYS HA 1 58 LYS HG3 3.980 . 4.380 3.301 2.405 3.869 . 0 0 "[ . 1 . 2]" 1
643 1 58 LYS HA 1 58 LYS HD2 5.200 . 5.720 4.275 2.150 4.896 . 0 0 "[ . 1 . 2]" 1
644 1 58 LYS HA 1 58 LYS HD3 5.200 . 5.720 3.963 2.125 4.730 . 0 0 "[ . 1 . 2]" 1
645 1 59 THR HA 1 59 THR MG 3.110 . 3.420 2.660 2.294 3.279 . 0 0 "[ . 1 . 2]" 1
646 1 61 ARG HA 1 61 ARG HD2 5.350 . 5.890 4.199 2.101 4.984 . 0 0 "[ . 1 . 2]" 1
647 1 61 ARG HA 1 61 ARG HD3 5.350 . 5.890 4.260 2.139 5.007 . 0 0 "[ . 1 . 2]" 1
648 1 62 LYS HA 1 62 LYS HG2 4.240 . 4.660 3.350 2.474 3.928 . 0 0 "[ . 1 . 2]" 1
649 1 62 LYS HA 1 62 LYS HG3 4.240 . 4.660 3.191 2.592 4.310 . 0 0 "[ . 1 . 2]" 1
650 1 64 LEU HA 1 64 LEU HG 4.030 . 4.430 3.307 2.603 3.825 . 0 0 "[ . 1 . 2]" 1
651 1 64 LEU H 1 64 LEU HG 4.710 . 5.180 4.432 3.596 4.829 . 0 0 "[ . 1 . 2]" 1
652 1 64 LEU H 1 64 LEU MD1 5.020 . 5.520 4.120 3.343 4.820 . 0 0 "[ . 1 . 2]" 1
653 1 64 LEU H 1 64 LEU MD2 5.020 . 5.520 3.787 1.839 4.875 . 0 0 "[ . 1 . 2]" 1
654 1 11 MET HA 1 12 SER H 3.400 . 3.740 2.364 2.206 2.501 . 0 0 "[ . 1 . 2]" 1
655 1 11 MET HB2 1 12 SER H 4.560 . 5.020 3.786 3.543 4.138 . 0 0 "[ . 1 . 2]" 1
656 1 14 THR HB 1 15 GLN H 3.900 . 4.290 2.789 2.626 2.981 . 0 0 "[ . 1 . 2]" 1
657 1 15 GLN HG3 1 16 VAL H 4.570 . 5.030 4.636 4.409 4.839 . 0 0 "[ . 1 . 2]" 1
658 1 15 GLN HG2 1 16 VAL H 4.220 . 4.640 3.656 3.403 3.839 . 0 0 "[ . 1 . 2]" 1
659 1 16 VAL MG2 1 17 ILE H 4.420 . 4.860 3.982 3.811 4.127 . 0 0 "[ . 1 . 2]" 1
660 1 17 ILE HG12 1 18 GLU H 5.060 . 5.570 5.002 4.123 5.179 . 0 0 "[ . 1 . 2]" 1
661 1 17 ILE HG13 1 18 GLU H 5.060 . 5.570 4.348 4.227 4.798 . 0 0 "[ . 1 . 2]" 1
662 1 18 GLU HG3 1 19 LEU H 5.250 . 5.780 4.849 4.659 5.045 . 0 0 "[ . 1 . 2]" 1
663 1 19 LEU MD2 1 20 GLU H 4.970 . 5.470 4.872 4.821 4.936 . 0 0 "[ . 1 . 2]" 1
664 1 24 SER HB2 1 25 HIS H 5.120 . 5.630 3.648 2.706 4.164 . 0 0 "[ . 1 . 2]" 1
665 1 24 SER HB3 1 25 HIS H 5.120 . 5.630 3.569 2.665 4.199 . 0 0 "[ . 1 . 2]" 1
666 1 26 GLN HG2 1 27 LYS H 5.450 . 6.000 5.031 4.956 5.158 . 0 0 "[ . 1 . 2]" 1
667 1 27 LYS HB3 1 28 TYR H 4.890 . 5.380 3.937 3.582 4.121 . 0 0 "[ . 1 . 2]" 1
668 1 27 LYS HB2 1 28 TYR H 4.650 . 5.120 2.948 2.479 3.186 . 0 0 "[ . 1 . 2]" 1
669 1 32 PRO HD2 1 33 GLU H 4.650 . 5.120 3.049 2.683 3.339 . 0 0 "[ . 1 . 2]" 1
670 1 33 GLU HB3 1 34 ARG H 4.020 . 4.420 3.717 3.507 4.026 . 0 0 "[ . 1 . 2]" 1
671 1 37 LEU MD1 1 38 ALA H 4.540 . 4.990 4.624 4.501 4.754 . 0 0 "[ . 1 . 2]" 1
672 1 39 LYS HB2 1 40 ASN H 4.480 . 4.930 3.887 3.703 4.096 . 0 0 "[ . 1 . 2]" 1
673 1 39 LYS HB3 1 40 ASN H 4.800 . 5.280 4.051 3.982 4.161 . 0 0 "[ . 1 . 2]" 1
674 1 39 LYS HD2 1 40 ASN H 5.430 . 5.970 5.003 4.609 5.298 . 0 0 "[ . 1 . 2]" 1
675 1 39 LYS HD3 1 40 ASN H 5.430 . 5.970 4.723 4.506 5.068 . 0 0 "[ . 1 . 2]" 1
676 1 40 ASN HA 1 41 LEU H 3.540 . 3.890 3.533 3.499 3.564 . 0 0 "[ . 1 . 2]" 1
677 1 40 ASN HB2 1 41 LEU H 3.690 . 4.060 2.819 2.548 3.145 . 0 0 "[ . 1 . 2]" 1
678 1 40 ASN HB3 1 41 LEU H 3.680 . 4.050 3.706 3.556 3.858 . 0 0 "[ . 1 . 2]" 1
679 1 68 LEU HB2 1 69 GLY H 4.990 . 5.490 3.849 2.225 4.676 . 0 0 "[ . 1 . 2]" 1
680 1 68 LEU HB3 1 69 GLY H 4.990 . 5.490 3.653 2.497 4.493 . 0 0 "[ . 1 . 2]" 1
681 1 42 LYS HB2 1 43 LEU H 4.240 . 4.660 4.057 3.916 4.175 . 0 0 "[ . 1 . 2]" 1
682 1 42 LYS HG2 1 43 LEU H 6.000 . 6.600 5.567 4.849 6.017 . 0 0 "[ . 1 . 2]" 1
683 1 42 LYS HG3 1 43 LEU H 6.000 . 6.600 5.554 5.233 5.955 . 0 0 "[ . 1 . 2]" 1
684 1 43 LEU MD2 1 44 THR H 3.960 . 4.360 3.432 3.265 3.573 . 0 0 "[ . 1 . 2]" 1
685 1 35 ALA H 1 45 GLU HG3 5.500 . 6.050 4.706 3.315 5.293 . 0 0 "[ . 1 . 2]" 1
686 1 47 GLN HB3 1 47 GLN HE22 4.760 . 5.240 3.798 3.471 4.472 . 0 0 "[ . 1 . 2]" 1
687 1 51 TRP HB2 1 52 PHE H 4.780 . 5.260 3.707 3.618 3.849 . 0 0 "[ . 1 . 2]" 1
688 1 58 LYS HG2 1 59 THR H 5.350 . 5.890 5.026 4.277 5.474 . 0 0 "[ . 1 . 2]" 1
689 1 58 LYS HG3 1 59 THR H 5.350 . 5.890 5.035 4.620 5.495 . 0 0 "[ . 1 . 2]" 1
690 1 63 GLN HB2 1 64 LEU H 4.650 . 5.120 3.293 2.072 4.225 . 0 0 "[ . 1 . 2]" 1
691 1 64 LEU MD1 1 65 SER H 5.160 . 5.680 4.449 3.191 5.539 . 0 0 "[ . 1 . 2]" 1
692 1 64 LEU MD2 1 65 SER H 5.160 . 5.680 4.290 2.049 5.475 . 0 0 "[ . 1 . 2]" 1
693 1 67 GLU HB3 1 68 LEU H 4.650 . 5.120 3.925 2.173 4.504 . 0 0 "[ . 1 . 2]" 1
694 1 68 LEU MD1 1 69 GLY H 5.530 . 6.080 4.171 2.103 5.683 . 0 0 "[ . 1 . 2]" 1
695 1 68 LEU MD2 1 69 GLY H 5.530 . 6.080 4.344 3.260 5.400 . 0 0 "[ . 1 . 2]" 1
696 1 12 SER HA 1 15 GLN HB3 4.590 . 5.050 4.315 4.140 4.533 . 0 0 "[ . 1 . 2]" 1
697 1 13 HIS HA 1 16 VAL H 4.350 . 4.790 3.731 3.463 4.014 . 0 0 "[ . 1 . 2]" 1
698 1 13 HIS HA 1 16 VAL HB 3.820 . 4.200 3.130 2.875 3.464 . 0 0 "[ . 1 . 2]" 1
699 1 13 HIS HA 1 17 ILE H 5.360 . 5.900 4.527 4.310 4.712 . 0 0 "[ . 1 . 2]" 1
700 1 14 THR HA 1 17 ILE HB 3.500 . 3.850 2.775 2.485 3.164 . 0 0 "[ . 1 . 2]" 1
701 1 14 THR HA 1 18 GLU H 4.680 . 5.150 4.448 4.247 4.886 . 0 0 "[ . 1 . 2]" 1
702 1 15 GLN HA 1 18 GLU H 4.350 . 4.790 3.449 3.247 3.713 . 0 0 "[ . 1 . 2]" 1
703 1 15 GLN HA 1 18 GLU HB2 3.840 . 4.220 2.957 2.616 3.311 . 0 0 "[ . 1 . 2]" 1
704 1 15 GLN HA 1 17 ILE H 5.280 . 5.810 4.398 4.324 4.521 . 0 0 "[ . 1 . 2]" 1
705 1 16 VAL HA 1 19 LEU HB2 3.960 . 4.360 2.418 2.180 2.739 . 0 0 "[ . 1 . 2]" 1
706 1 16 VAL HA 1 19 LEU HB3 5.240 . 5.760 3.964 3.726 4.296 . 0 0 "[ . 1 . 2]" 1
707 1 17 ILE HA 1 20 GLU HB2 4.360 . 4.800 2.545 2.168 2.903 . 0 0 "[ . 1 . 2]" 1
708 1 17 ILE HA 1 20 GLU HB3 4.360 . 4.800 4.140 3.746 4.502 . 0 0 "[ . 1 . 2]" 1
709 1 18 GLU HA 1 20 GLU H 5.060 . 5.570 4.352 4.258 4.502 . 0 0 "[ . 1 . 2]" 1
710 1 18 GLU HA 1 21 ARG HB2 3.340 . 3.670 2.812 2.435 3.421 . 0 0 "[ . 1 . 2]" 1
711 1 18 GLU HA 1 22 LYS H 5.080 . 5.590 4.481 4.149 4.832 . 0 0 "[ . 1 . 2]" 1
712 1 19 LEU HA 1 22 LYS H 3.960 . 4.360 3.684 3.543 3.807 . 0 0 "[ . 1 . 2]" 1
713 1 19 LEU HA 1 22 LYS HB2 4.630 . 5.090 3.785 3.402 4.016 . 0 0 "[ . 1 . 2]" 1
714 1 19 LEU HA 1 22 LYS HB3 4.630 . 5.090 3.159 2.916 3.485 . 0 0 "[ . 1 . 2]" 1
715 1 20 GLU HA 1 23 PHE H 4.480 . 4.930 3.179 2.743 3.434 . 0 0 "[ . 1 . 2]" 1
716 1 20 GLU HA 1 23 PHE HB2 3.990 . 4.390 3.001 2.486 3.376 . 0 0 "[ . 1 . 2]" 1
717 1 20 GLU HA 1 23 PHE HB3 3.990 . 4.390 2.174 1.929 2.623 . 0 0 "[ . 1 . 2]" 1
718 1 21 ARG HA 1 24 SER H 4.310 . 4.740 3.769 3.526 3.995 . 0 0 "[ . 1 . 2]" 1
719 1 31 ALA HA 1 33 GLU H 6.000 . 6.600 4.702 4.453 5.022 . 0 0 "[ . 1 . 2]" 1
720 1 31 ALA HA 1 34 ARG H 4.530 . 4.980 3.833 3.556 4.129 . 0 0 "[ . 1 . 2]" 1
721 1 31 ALA HA 1 34 ARG HB3 3.620 . 3.980 3.000 2.619 3.415 . 0 0 "[ . 1 . 2]" 1
722 1 31 ALA HA 1 34 ARG HB2 4.610 . 5.070 3.931 3.324 4.416 . 0 0 "[ . 1 . 2]" 1
723 1 32 PRO HA 1 34 ARG H 5.240 . 5.760 4.640 4.497 4.830 . 0 0 "[ . 1 . 2]" 1
724 1 32 PRO HA 1 35 ALA MB 3.190 . 3.510 2.949 2.680 3.207 . 0 0 "[ . 1 . 2]" 1
725 1 33 GLU HA 1 35 ALA H 4.730 . 5.200 4.600 4.395 4.744 . 0 0 "[ . 1 . 2]" 1
726 1 34 ARG HA 1 37 LEU HB2 3.830 . 4.210 3.919 3.465 4.183 . 0 0 "[ . 1 . 2]" 1
727 1 34 ARG HA 1 37 LEU HB3 4.040 . 4.440 3.015 2.626 3.283 . 0 0 "[ . 1 . 2]" 1
728 1 35 ALA HA 1 38 ALA MB 3.270 . 3.600 2.481 2.209 2.697 . 0 0 "[ . 1 . 2]" 1
729 1 36 HIS HA 1 39 LYS HB3 4.110 . 4.520 4.491 4.256 4.675 0.155 17 0 "[ . 1 . 2]" 1
730 1 37 LEU HA 1 39 LYS H 5.210 . 5.730 4.775 4.619 4.878 . 0 0 "[ . 1 . 2]" 1
731 1 37 LEU HA 1 40 ASN H 3.680 . 4.050 3.801 3.522 3.993 . 0 0 "[ . 1 . 2]" 1
732 1 37 LEU HA 1 40 ASN HB2 3.590 . 3.950 2.868 2.476 3.083 . 0 0 "[ . 1 . 2]" 1
733 1 37 LEU HA 1 40 ASN HB3 4.210 . 4.630 4.427 3.974 4.690 0.060 10 0 "[ . 1 . 2]" 1
734 1 38 ALA HA 1 40 ASN H 4.670 . 5.140 4.636 4.488 4.773 . 0 0 "[ . 1 . 2]" 1
735 1 38 ALA HA 1 41 LEU H 4.350 . 4.790 3.817 3.658 3.966 . 0 0 "[ . 1 . 2]" 1
736 1 38 ALA HA 1 41 LEU HB2 4.030 . 4.430 3.515 3.312 3.810 . 0 0 "[ . 1 . 2]" 1
737 1 38 ALA HA 1 41 LEU HB3 5.200 . 5.720 5.185 4.963 5.509 . 0 0 "[ . 1 . 2]" 1
738 1 39 LYS HA 1 41 LEU H 4.010 . 4.410 4.241 4.002 4.448 0.038 18 0 "[ . 1 . 2]" 1
739 1 45 GLU HA 1 48 VAL H 4.240 . 4.660 3.649 3.457 3.794 . 0 0 "[ . 1 . 2]" 1
740 1 45 GLU HA 1 48 VAL HB 3.710 . 4.080 2.728 2.517 2.925 . 0 0 "[ . 1 . 2]" 1
741 1 46 THR HA 1 49 LYS HB3 3.440 . 3.780 2.899 2.499 3.402 . 0 0 "[ . 1 . 2]" 1
742 1 46 THR HA 1 49 LYS HB2 3.870 . 4.260 3.792 3.385 4.128 . 0 0 "[ . 1 . 2]" 1
743 1 46 THR HA 1 50 ILE H 4.490 . 4.940 4.175 3.847 4.364 . 0 0 "[ . 1 . 2]" 1
744 1 47 GLN HA 1 50 ILE HB 3.600 . 3.960 2.830 2.416 3.427 . 0 0 "[ . 1 . 2]" 1
745 1 47 GLN HA 1 51 TRP H 4.730 . 5.200 4.111 3.886 4.318 . 0 0 "[ . 1 . 2]" 1
746 1 48 VAL HA 1 51 TRP HB3 4.020 . 4.420 2.901 2.659 3.195 . 0 0 "[ . 1 . 2]" 1
747 1 48 VAL HA 1 51 TRP HB2 4.100 . 4.510 3.479 3.161 3.992 . 0 0 "[ . 1 . 2]" 1
748 1 34 ARG HD3 1 49 LYS HA 4.580 . 5.040 3.914 3.247 4.310 . 0 0 "[ . 1 . 2]" 1
749 1 49 LYS HA 1 52 PHE HB2 4.850 . 5.330 2.928 2.594 3.332 . 0 0 "[ . 1 . 2]" 1
750 1 34 ARG HD2 1 49 LYS HA 4.580 . 5.040 3.983 3.513 4.854 . 0 0 "[ . 1 . 2]" 1
751 1 49 LYS HA 1 52 PHE HB3 4.850 . 5.330 4.425 4.077 4.923 . 0 0 "[ . 1 . 2]" 1
752 1 50 ILE HA 1 52 PHE H 5.150 . 5.670 4.915 4.723 5.063 . 0 0 "[ . 1 . 2]" 1
753 1 50 ILE HA 1 53 GLN HB2 3.650 . 4.020 3.398 2.705 3.814 . 0 0 "[ . 1 . 2]" 1
754 1 50 ILE HA 1 53 GLN HB3 3.650 . 4.020 2.586 2.289 3.005 . 0 0 "[ . 1 . 2]" 1
755 1 51 TRP HA 1 54 ASN HB3 4.840 . 5.320 4.718 4.366 5.329 0.009 2 0 "[ . 1 . 2]" 1
756 1 51 TRP HA 1 54 ASN HB2 4.220 . 4.640 3.090 2.785 3.630 . 0 0 "[ . 1 . 2]" 1
757 1 51 TRP HA 1 55 ARG H 4.930 . 5.420 4.092 3.710 4.344 . 0 0 "[ . 1 . 2]" 1
758 1 52 PHE HA 1 55 ARG H 4.270 . 4.700 3.670 3.460 3.908 . 0 0 "[ . 1 . 2]" 1
759 1 52 PHE HA 1 55 ARG HB2 4.550 . 5.010 2.746 2.352 3.414 . 0 0 "[ . 1 . 2]" 1
760 1 52 PHE HA 1 55 ARG HB3 4.550 . 5.010 3.791 2.793 4.568 . 0 0 "[ . 1 . 2]" 1
761 1 52 PHE HA 1 52 PHE QD 4.030 . 4.430 3.064 2.971 3.123 . 0 0 "[ . 1 . 2]" 1
762 1 53 GLN HA 1 55 ARG H 4.820 . 5.300 4.648 4.416 4.848 . 0 0 "[ . 1 . 2]" 1
763 1 53 GLN HA 1 56 ARG H 4.620 . 5.080 3.769 3.427 4.184 . 0 0 "[ . 1 . 2]" 1
764 1 53 GLN HA 1 56 ARG HB2 4.780 . 5.260 3.156 2.618 4.228 . 0 0 "[ . 1 . 2]" 1
765 1 53 GLN HA 1 56 ARG HB3 4.780 . 5.260 4.638 3.435 5.380 0.120 16 0 "[ . 1 . 2]" 1
766 1 53 GLN HA 1 57 TYR H 5.180 . 5.700 4.514 4.223 5.014 . 0 0 "[ . 1 . 2]" 1
767 1 54 ASN HA 1 57 TYR HB2 4.050 . 4.460 3.326 2.905 3.977 . 0 0 "[ . 1 . 2]" 1
768 1 54 ASN HA 1 57 TYR HB3 4.050 . 4.460 2.470 1.752 3.113 0.048 2 0 "[ . 1 . 2]" 1
769 1 54 ASN HA 1 58 LYS H 5.060 . 5.570 4.354 3.995 4.506 . 0 0 "[ . 1 . 2]" 1
770 1 55 ARG HA 1 58 LYS HB2 4.830 . 5.310 2.420 2.094 3.007 . 0 0 "[ . 1 . 2]" 1
771 1 55 ARG HA 1 58 LYS HB3 4.830 . 5.310 3.936 2.472 4.669 . 0 0 "[ . 1 . 2]" 1
772 1 56 ARG HA 1 58 LYS H 4.320 . 4.750 4.064 3.896 4.269 . 0 0 "[ . 1 . 2]" 1
773 1 14 THR HA 1 17 ILE HG12 4.370 . 4.810 4.147 2.160 4.620 . 0 0 "[ . 1 . 2]" 1
774 1 14 THR HA 1 17 ILE MD 3.730 . 4.100 2.123 1.840 3.680 . 0 0 "[ . 1 . 2]" 1
775 1 14 THR HB 1 15 GLN HB2 4.610 . 5.070 4.369 4.126 4.663 . 0 0 "[ . 1 . 2]" 1
776 1 46 THR HB 1 50 ILE MD 5.190 . 5.710 4.174 3.910 4.399 . 0 0 "[ . 1 . 2]" 1
777 1 14 THR MG 1 18 GLU HG3 4.230 . 4.650 3.700 3.305 4.660 0.010 15 0 "[ . 1 . 2]" 1
778 1 14 THR MG 1 18 GLU HG2 4.200 . 4.620 3.039 2.632 4.000 . 0 0 "[ . 1 . 2]" 1
779 1 14 THR MG 1 17 ILE MD 3.890 . 4.280 3.118 2.622 4.492 0.212 8 0 "[ . 1 . 2]" 1
780 1 12 SER H 1 15 GLN HB3 4.610 . 5.070 2.469 2.126 2.722 . 0 0 "[ . 1 . 2]" 1
781 1 12 SER H 1 15 GLN HG2 4.890 . 5.380 3.843 3.365 4.214 . 0 0 "[ . 1 . 2]" 1
782 1 15 GLN HA 1 41 LEU MD1 4.130 . 4.540 3.314 2.987 3.621 . 0 0 "[ . 1 . 2]" 1
783 1 15 GLN HB2 1 16 VAL MG2 5.130 . 5.640 4.895 4.775 5.016 . 0 0 "[ . 1 . 2]" 1
784 1 15 GLN HB2 1 43 LEU MD1 5.040 . 5.540 5.069 4.826 5.419 . 0 0 "[ . 1 . 2]" 1
785 1 11 MET HB3 1 15 GLN HB2 4.530 . 4.980 4.460 3.957 4.887 . 0 0 "[ . 1 . 2]" 1
786 1 15 GLN HB3 1 43 LEU MD1 5.050 . 5.560 4.793 4.460 5.069 . 0 0 "[ . 1 . 2]" 1
787 1 15 GLN HG3 1 41 LEU HB3 4.170 . 4.590 2.175 2.008 2.350 . 0 0 "[ . 1 . 2]" 1
788 1 15 GLN HG3 1 41 LEU MD1 3.860 . 4.250 2.287 1.974 2.823 . 0 0 "[ . 1 . 2]" 1
789 1 15 GLN HG3 1 43 LEU MD1 4.640 . 5.100 3.267 2.982 3.716 . 0 0 "[ . 1 . 2]" 1
790 1 15 GLN HB3 1 41 LEU MD1 5.480 . 6.030 4.594 4.388 5.008 . 0 0 "[ . 1 . 2]" 1
791 1 15 GLN HG2 1 41 LEU HB3 4.380 . 4.820 3.527 3.176 3.806 . 0 0 "[ . 1 . 2]" 1
792 1 15 GLN HG2 1 41 LEU MD1 4.560 . 5.020 2.867 2.586 3.302 . 0 0 "[ . 1 . 2]" 1
793 1 16 VAL MG2 1 51 TRP HZ2 4.940 . 5.430 4.199 3.403 4.824 . 0 0 "[ . 1 . 2]" 1
794 1 16 VAL MG2 1 51 TRP HD1 4.740 . 5.210 3.903 3.190 4.547 . 0 0 "[ . 1 . 2]" 1
795 1 16 VAL MG2 1 51 TRP HE1 4.410 . 4.850 2.747 2.184 3.253 . 0 0 "[ . 1 . 2]" 1
796 1 16 VAL MG1 1 17 ILE HA 4.370 . 4.810 3.663 3.438 3.811 . 0 0 "[ . 1 . 2]" 1
797 1 13 HIS HA 1 16 VAL MG1 4.990 . 5.490 4.410 4.129 4.700 . 0 0 "[ . 1 . 2]" 1
798 1 16 VAL MG1 1 20 GLU HG3 4.390 . 4.830 2.556 2.373 3.005 . 0 0 "[ . 1 . 2]" 1
799 1 11 MET HB2 1 16 VAL MG1 5.080 . 5.590 4.540 3.991 5.073 . 0 0 "[ . 1 . 2]" 1
800 1 16 VAL MG1 1 19 LEU HB2 4.350 . 4.790 3.518 3.180 3.801 . 0 0 "[ . 1 . 2]" 1
801 1 11 MET HB2 1 16 VAL MG2 3.550 . 3.900 2.323 1.884 2.862 . 0 0 "[ . 1 . 2]" 1
802 1 11 MET HG2 1 16 VAL MG2 5.010 . 5.510 4.045 3.252 5.007 . 0 0 "[ . 1 . 2]" 1
803 1 15 GLN HG2 1 16 VAL MG2 4.170 . 4.590 3.905 3.540 4.303 . 0 0 "[ . 1 . 2]" 1
804 1 17 ILE HA 1 20 GLU HG3 4.910 . 5.400 3.461 2.872 4.028 . 0 0 "[ . 1 . 2]" 1
805 1 17 ILE HB 1 18 GLU HG2 4.980 . 5.480 3.437 3.096 3.708 . 0 0 "[ . 1 . 2]" 1
806 1 14 THR MG 1 17 ILE HB 5.290 . 5.820 3.411 3.076 3.835 . 0 0 "[ . 1 . 2]" 1
807 1 14 THR MG 1 17 ILE MG 4.030 . 4.430 3.892 3.472 4.429 . 0 0 "[ . 1 . 2]" 1
808 1 17 ILE MG 1 18 GLU HB2 5.550 . 6.110 5.212 4.958 5.468 . 0 0 "[ . 1 . 2]" 1
809 1 17 ILE MG 1 18 GLU HG2 4.380 . 4.820 3.993 3.684 4.533 . 0 0 "[ . 1 . 2]" 1
810 1 17 ILE MG 1 21 ARG HD3 4.620 . 5.080 3.539 2.640 4.520 . 0 0 "[ . 1 . 2]" 1
811 1 14 THR HA 1 17 ILE MG 4.370 . 4.810 3.996 3.741 4.295 . 0 0 "[ . 1 . 2]" 1
812 1 14 THR HA 1 17 ILE HG13 4.370 . 4.810 2.848 2.377 3.339 . 0 0 "[ . 1 . 2]" 1
813 1 16 VAL H 1 17 ILE MD 5.210 . 5.730 5.351 5.098 5.463 . 0 0 "[ . 1 . 2]" 1
814 1 17 ILE MG 1 18 GLU HA 4.030 . 4.430 3.491 3.282 3.766 . 0 0 "[ . 1 . 2]" 1
815 1 18 GLU HA 1 41 LEU MD1 5.170 . 5.690 4.490 4.279 4.770 . 0 0 "[ . 1 . 2]" 1
816 1 18 GLU HA 1 41 LEU MD2 5.430 . 5.970 4.605 4.220 4.919 . 0 0 "[ . 1 . 2]" 1
817 1 18 GLU HB3 1 41 LEU MD2 3.530 . 3.880 2.546 2.065 2.849 . 0 0 "[ . 1 . 2]" 1
818 1 18 GLU HG2 1 41 LEU MD2 3.890 . 4.280 3.424 2.979 3.772 . 0 0 "[ . 1 . 2]" 1
819 1 14 THR MG 1 18 GLU HB2 5.350 . 5.890 4.949 4.604 5.335 . 0 0 "[ . 1 . 2]" 1
820 1 15 GLN HA 1 18 GLU HG2 5.340 . 5.870 3.178 2.438 4.306 . 0 0 "[ . 1 . 2]" 1
821 1 15 GLN HA 1 18 GLU HG3 4.190 . 4.610 3.269 2.721 4.253 . 0 0 "[ . 1 . 2]" 1
822 1 18 GLU HA 1 21 ARG HD2 4.710 . 5.180 3.251 2.120 4.880 . 0 0 "[ . 1 . 2]" 1
823 1 19 LEU MD2 1 52 PHE QD 4.280 . 4.710 3.384 3.180 3.762 . 0 0 "[ . 1 . 2]" 1
824 1 19 LEU MD2 1 52 PHE QE 3.400 . 3.740 2.289 1.916 2.660 . 0 0 "[ . 1 . 2]" 1
825 1 19 LEU MD2 1 51 TRP HD1 5.320 . 5.850 5.081 4.328 5.491 . 0 0 "[ . 1 . 2]" 1
826 1 19 LEU MD2 1 52 PHE HZ 5.480 . 6.030 3.861 3.239 4.362 . 0 0 "[ . 1 . 2]" 1
827 1 19 LEU MD2 1 51 TRP HE3 4.440 . 4.880 3.489 2.938 3.995 . 0 0 "[ . 1 . 2]" 1
828 1 19 LEU HA 1 52 PHE QE 4.820 . 5.300 3.525 3.111 3.822 . 0 0 "[ . 1 . 2]" 1
829 1 19 LEU HA 1 52 PHE HZ 4.990 . 5.490 3.765 3.049 4.542 . 0 0 "[ . 1 . 2]" 1
830 1 19 LEU HA 1 23 PHE H 5.990 . 6.590 4.251 4.060 4.416 . 0 0 "[ . 1 . 2]" 1
831 1 19 LEU HA 1 37 LEU MD2 4.220 . 4.640 2.442 2.108 2.816 . 0 0 "[ . 1 . 2]" 1
832 1 19 LEU HA 1 22 LYS HG2 5.180 . 5.700 4.762 4.509 5.052 . 0 0 "[ . 1 . 2]" 1
833 1 19 LEU HG 1 43 LEU MD1 4.400 . 4.840 3.419 3.195 3.683 . 0 0 "[ . 1 . 2]" 1
834 1 16 VAL HA 1 19 LEU HG 5.060 . 5.570 3.544 3.116 3.784 . 0 0 "[ . 1 . 2]" 1
835 1 19 LEU MD2 1 52 PHE HA 5.850 . 6.430 5.648 5.312 5.969 . 0 0 "[ . 1 . 2]" 1
836 1 19 LEU MD2 1 51 TRP HB3 4.840 . 5.320 3.377 2.975 3.753 . 0 0 "[ . 1 . 2]" 1
837 1 19 LEU MD2 1 51 TRP HB2 4.830 . 5.310 4.172 3.652 4.549 . 0 0 "[ . 1 . 2]" 1
838 1 19 LEU MD2 1 37 LEU MD2 2.980 . 3.280 1.860 1.786 2.019 0.014 1 0 "[ . 1 . 2]" 1
839 1 17 ILE HA 1 20 GLU HG2 4.910 . 5.400 4.611 3.511 5.361 . 0 0 "[ . 1 . 2]" 1
840 1 16 VAL MG1 1 20 GLU HG2 4.390 . 4.830 3.407 2.412 3.863 . 0 0 "[ . 1 . 2]" 1
841 1 17 ILE MG 1 21 ARG HD2 4.620 . 5.080 2.985 2.480 4.314 . 0 0 "[ . 1 . 2]" 1
842 1 18 GLU HA 1 21 ARG HD3 4.710 . 5.180 2.786 1.902 4.532 . 0 0 "[ . 1 . 2]" 1
843 1 22 LYS HB2 1 52 PHE HZ 4.490 . 4.940 3.705 3.356 4.270 . 0 0 "[ . 1 . 2]" 1
844 1 22 LYS HB3 1 52 PHE HZ 4.490 . 4.940 2.107 1.794 2.633 0.006 1 0 "[ . 1 . 2]" 1
845 1 22 LYS HG2 1 52 PHE QE 5.220 . 5.740 3.933 3.547 4.421 . 0 0 "[ . 1 . 2]" 1
846 1 22 LYS HG2 1 52 PHE HZ 4.190 . 4.610 2.898 2.253 3.438 . 0 0 "[ . 1 . 2]" 1
847 1 22 LYS HA 1 37 LEU MD2 5.160 . 5.680 4.799 4.629 5.050 . 0 0 "[ . 1 . 2]" 1
848 1 22 LYS HB2 1 37 LEU MD2 4.550 . 5.010 3.005 2.745 3.296 . 0 0 "[ . 1 . 2]" 1
849 1 22 LYS HB3 1 37 LEU MD2 4.550 . 5.010 2.637 2.314 2.908 . 0 0 "[ . 1 . 2]" 1
850 1 22 LYS HG3 1 37 LEU MD2 4.290 . 4.720 3.191 2.863 3.505 . 0 0 "[ . 1 . 2]" 1
851 1 22 LYS HD2 1 29 LEU MD2 4.820 . 5.300 3.483 1.974 4.283 . 0 0 "[ . 1 . 2]" 1
852 1 22 LYS HD3 1 29 LEU MD2 4.820 . 5.300 3.975 3.226 4.399 . 0 0 "[ . 1 . 2]" 1
853 1 22 LYS HA 1 25 HIS HB3 4.940 . 5.430 4.505 2.386 5.228 . 0 0 "[ . 1 . 2]" 1
854 1 23 PHE HB2 1 51 TRP HZ3 4.620 . 5.080 1.961 1.791 2.153 0.009 14 0 "[ . 1 . 2]" 1
855 1 23 PHE HB3 1 51 TRP HZ3 4.620 . 5.080 3.286 2.777 3.692 . 0 0 "[ . 1 . 2]" 1
856 1 22 LYS HA 1 25 HIS HB2 4.940 . 5.430 3.335 2.852 4.469 . 0 0 "[ . 1 . 2]" 1
857 1 25 HIS HB3 1 26 GLN HG2 5.370 . 5.910 3.719 2.740 4.428 . 0 0 "[ . 1 . 2]" 1
858 1 25 HIS HB3 1 26 GLN HB3 5.280 . 5.810 4.066 3.809 4.393 . 0 0 "[ . 1 . 2]" 1
859 1 25 HIS HB2 1 26 GLN HG2 5.370 . 5.910 3.534 2.703 5.133 . 0 0 "[ . 1 . 2]" 1
860 1 25 HIS HB2 1 26 GLN HB3 5.280 . 5.810 4.586 3.967 5.582 . 0 0 "[ . 1 . 2]" 1
861 1 25 HIS HA 1 26 GLN HB3 4.970 . 5.470 4.969 4.877 5.155 . 0 0 "[ . 1 . 2]" 1
862 1 26 GLN HG3 1 29 LEU HA 4.570 . 5.030 3.882 3.487 4.210 . 0 0 "[ . 1 . 2]" 1
863 1 25 HIS HA 1 26 GLN HG2 5.520 . 6.070 5.208 4.955 5.547 . 0 0 "[ . 1 . 2]" 1
864 1 26 GLN HB2 1 29 LEU HA 5.370 . 5.910 4.826 4.460 5.138 . 0 0 "[ . 1 . 2]" 1
865 1 26 GLN HB2 1 29 LEU MD2 5.260 . 5.790 4.000 3.779 4.328 . 0 0 "[ . 1 . 2]" 1
866 1 26 GLN HB3 1 29 LEU MD2 5.670 . 6.240 4.641 4.477 4.844 . 0 0 "[ . 1 . 2]" 1
867 1 26 GLN HG2 1 29 LEU MD2 4.010 . 4.410 3.235 3.036 3.540 . 0 0 "[ . 1 . 2]" 1
868 1 26 GLN HG3 1 29 LEU MD2 4.250 . 4.680 2.255 2.036 2.636 . 0 0 "[ . 1 . 2]" 1
869 1 27 LYS HB2 1 56 ARG HD2 6.000 . 6.600 4.298 2.875 6.403 . 0 0 "[ . 1 . 2]" 1
870 1 27 LYS HA 1 52 PHE QD 4.820 . 5.300 3.289 2.674 3.629 . 0 0 "[ . 1 . 2]" 1
871 1 23 PHE HZ 1 27 LYS HA 4.870 . 5.360 4.660 4.136 5.176 . 0 0 "[ . 1 . 2]" 1
872 1 23 PHE QE 1 27 LYS HB3 4.840 . 5.320 3.529 3.133 4.051 . 0 0 "[ . 1 . 2]" 1
873 1 23 PHE HZ 1 27 LYS HB3 5.160 . 5.680 4.407 3.792 5.117 . 0 0 "[ . 1 . 2]" 1
874 1 29 LEU HB3 1 34 ARG HG3 4.730 . 5.200 4.294 3.623 5.024 . 0 0 "[ . 1 . 2]" 1
875 1 29 LEU HB3 1 33 GLU HB3 4.450 . 4.890 3.355 2.812 3.788 . 0 0 "[ . 1 . 2]" 1
876 1 29 LEU HB3 1 34 ARG HB2 4.580 . 5.040 2.589 2.076 3.294 . 0 0 "[ . 1 . 2]" 1
877 1 29 LEU HB3 1 33 GLU HB2 3.990 . 4.390 2.539 1.947 2.957 . 0 0 "[ . 1 . 2]" 1
878 1 29 LEU HB2 1 34 ARG HG3 4.740 . 5.210 3.619 3.113 4.422 . 0 0 "[ . 1 . 2]" 1
879 1 29 LEU HB2 1 34 ARG HB2 4.000 . 4.400 2.504 2.091 2.802 . 0 0 "[ . 1 . 2]" 1
880 1 26 GLN HG3 1 29 LEU HB2 5.580 . 6.140 5.881 5.623 6.206 0.066 5 0 "[ . 1 . 2]" 1
881 1 22 LYS HG2 1 29 LEU MD1 5.050 . 5.560 2.853 1.915 3.462 . 0 0 "[ . 1 . 2]" 1
882 1 29 LEU MD2 1 37 LEU MD2 3.960 . 4.360 3.228 2.957 3.685 . 0 0 "[ . 1 . 2]" 1
883 1 22 LYS HG3 1 29 LEU MD2 3.850 . 4.230 2.083 1.802 2.417 . 0 0 "[ . 1 . 2]" 1
884 1 29 LEU MD2 1 33 GLU HB3 3.850 . 4.230 2.520 1.872 3.255 . 0 0 "[ . 1 . 2]" 1
885 1 29 LEU HB3 1 34 ARG HA 4.960 . 5.460 3.211 2.903 3.602 . 0 0 "[ . 1 . 2]" 1
886 1 29 LEU HG 1 34 ARG HA 5.120 . 5.630 4.650 4.154 5.269 . 0 0 "[ . 1 . 2]" 1
887 1 29 LEU MD2 1 34 ARG HA 4.820 . 5.300 4.041 3.155 4.505 . 0 0 "[ . 1 . 2]" 1
888 1 29 LEU HB2 1 34 ARG H 4.780 . 5.260 4.111 3.732 4.479 . 0 0 "[ . 1 . 2]" 1
889 1 29 LEU MD1 1 52 PHE QD 5.190 . 5.710 3.589 3.166 3.954 . 0 0 "[ . 1 . 2]" 1
890 1 29 LEU MD1 1 52 PHE HZ 4.670 . 5.140 2.855 2.563 3.208 . 0 0 "[ . 1 . 2]" 1
891 1 29 LEU MD2 1 52 PHE QD 5.620 . 6.180 4.067 3.417 4.951 . 0 0 "[ . 1 . 2]" 1
892 1 29 LEU MD2 1 52 PHE QE 4.400 . 4.840 2.896 2.286 3.972 . 0 0 "[ . 1 . 2]" 1
893 1 29 LEU MD2 1 52 PHE HZ 4.230 . 4.650 3.112 2.617 4.027 . 0 0 "[ . 1 . 2]" 1
894 1 22 LYS H 1 29 LEU MD2 6.000 . 6.600 5.927 5.638 6.246 . 0 0 "[ . 1 . 2]" 1
895 1 29 LEU MD2 1 37 LEU H 6.000 . 6.600 5.493 4.705 6.206 . 0 0 "[ . 1 . 2]" 1
896 1 30 SER HB2 1 33 GLU HB2 5.190 . 5.710 3.385 2.922 4.272 . 0 0 "[ . 1 . 2]" 1
897 1 30 SER HB2 1 31 ALA MB 4.940 . 5.430 4.844 4.630 4.999 . 0 0 "[ . 1 . 2]" 1
898 1 30 SER HB3 1 32 PRO HD3 4.380 . 4.820 3.746 3.393 3.958 . 0 0 "[ . 1 . 2]" 1
899 1 30 SER HB3 1 33 GLU HB2 5.190 . 5.710 4.913 4.503 5.683 . 0 0 "[ . 1 . 2]" 1
900 1 30 SER HB3 1 31 ALA MB 4.940 . 5.430 3.958 3.755 4.144 . 0 0 "[ . 1 . 2]" 1
901 1 31 ALA MB 1 32 PRO HD2 2.920 . 3.210 2.903 2.637 3.272 0.062 1 0 "[ . 1 . 2]" 1
902 1 31 ALA MB 1 32 PRO HG3 4.410 . 4.850 4.203 3.645 4.506 . 0 0 "[ . 1 . 2]" 1
903 1 31 ALA MB 1 32 PRO HG2 4.410 . 4.850 4.543 4.329 4.697 . 0 0 "[ . 1 . 2]" 1
904 1 31 ALA MB 1 32 PRO HA 4.870 . 5.360 4.133 4.078 4.197 . 0 0 "[ . 1 . 2]" 1
905 1 30 SER HA 1 31 ALA MB 4.730 . 5.200 4.260 4.194 4.333 . 0 0 "[ . 1 . 2]" 1
906 1 31 ALA MB 1 34 ARG H 5.320 . 5.850 4.932 4.730 5.119 . 0 0 "[ . 1 . 2]" 1
907 1 31 ALA MB 1 35 ALA H 5.370 . 5.910 4.865 4.655 5.091 . 0 0 "[ . 1 . 2]" 1
908 1 31 ALA MB 1 32 PRO HD3 3.480 . 3.830 2.229 1.892 2.429 . 0 0 "[ . 1 . 2]" 1
909 1 30 SER HB2 1 32 PRO HD3 4.380 . 4.820 4.382 3.849 4.695 . 0 0 "[ . 1 . 2]" 1
910 1 31 ALA HA 1 32 PRO HD3 4.070 . 4.480 4.311 3.988 4.509 0.029 20 0 "[ . 1 . 2]" 1
911 1 30 SER HB3 1 32 PRO HD2 4.450 . 4.890 2.311 2.197 2.612 . 0 0 "[ . 1 . 2]" 1
912 1 29 LEU HB2 1 33 GLU HB2 5.190 . 5.710 4.229 3.606 4.714 . 0 0 "[ . 1 . 2]" 1
913 1 29 LEU MD2 1 33 GLU HA 4.800 . 5.280 4.631 4.105 5.363 0.083 19 0 "[ . 1 . 2]" 1
914 1 29 LEU MD1 1 33 GLU HB3 4.450 . 4.890 3.562 2.748 4.304 . 0 0 "[ . 1 . 2]" 1
915 1 29 LEU HB2 1 33 GLU HB3 5.030 . 5.530 5.048 4.529 5.542 0.012 19 0 "[ . 1 . 2]" 1
916 1 29 LEU MD2 1 33 GLU HB2 4.390 . 4.830 3.045 2.490 3.509 . 0 0 "[ . 1 . 2]" 1
917 1 29 LEU MD2 1 33 GLU HG2 4.970 . 5.470 4.468 3.007 5.133 . 0 0 "[ . 1 . 2]" 1
918 1 29 LEU MD2 1 33 GLU HG3 4.970 . 5.470 4.295 3.493 5.235 . 0 0 "[ . 1 . 2]" 1
919 1 29 LEU HB2 1 34 ARG HA 4.350 . 4.790 3.693 3.017 4.410 . 0 0 "[ . 1 . 2]" 1
920 1 34 ARG HB3 1 35 ALA MB 4.270 . 4.700 3.966 3.852 4.163 . 0 0 "[ . 1 . 2]" 1
921 1 29 LEU HB3 1 34 ARG HB3 4.510 . 4.960 4.090 3.718 4.671 . 0 0 "[ . 1 . 2]" 1
922 1 29 LEU MD1 1 34 ARG HB3 4.770 . 5.250 4.137 3.941 4.426 . 0 0 "[ . 1 . 2]" 1
923 1 29 LEU MD1 1 34 ARG HA 3.490 . 3.840 2.016 1.797 2.392 0.003 6 0 "[ . 1 . 2]" 1
924 1 29 LEU MD1 1 34 ARG HB2 4.810 . 5.290 2.990 2.616 3.419 . 0 0 "[ . 1 . 2]" 1
925 1 29 LEU MD1 1 34 ARG HG3 4.930 . 5.420 2.754 2.185 3.442 . 0 0 "[ . 1 . 2]" 1
926 1 34 ARG HG2 1 48 VAL MG1 4.520 . 4.970 3.377 3.171 3.592 . 0 0 "[ . 1 . 2]" 1
927 1 29 LEU MD1 1 34 ARG HG2 5.150 . 5.670 4.030 3.511 4.599 . 0 0 "[ . 1 . 2]" 1
928 1 34 ARG HD2 1 48 VAL MG1 4.650 . 5.120 4.109 3.743 4.612 . 0 0 "[ . 1 . 2]" 1
929 1 34 ARG HD3 1 48 VAL MG1 4.650 . 5.120 4.094 3.438 4.423 . 0 0 "[ . 1 . 2]" 1
930 1 34 ARG HD3 1 45 GLU HG2 5.450 . 6.000 5.097 4.165 5.737 . 0 0 "[ . 1 . 2]" 1
931 1 34 ARG HD3 1 48 VAL HB 4.880 . 5.370 4.451 2.996 4.919 . 0 0 "[ . 1 . 2]" 1
932 1 34 ARG HD2 1 48 VAL HB 4.880 . 5.370 3.797 3.269 4.648 . 0 0 "[ . 1 . 2]" 1
933 1 34 ARG H 1 35 ALA MB 4.790 . 5.270 4.273 4.137 4.362 . 0 0 "[ . 1 . 2]" 1
934 1 35 ALA HA 1 45 GLU HA 4.640 . 5.100 4.303 3.853 4.729 . 0 0 "[ . 1 . 2]" 1
935 1 34 ARG HB3 1 35 ALA HA 5.060 . 5.570 4.418 4.320 4.752 . 0 0 "[ . 1 . 2]" 1
936 1 35 ALA HA 1 39 LYS HB3 5.690 . 6.260 5.115 4.775 5.306 . 0 0 "[ . 1 . 2]" 1
937 1 35 ALA HA 1 45 GLU HG2 3.310 . 3.640 2.535 2.138 3.511 . 0 0 "[ . 1 . 2]" 1
938 1 35 ALA HA 1 45 GLU HG3 3.890 . 4.280 2.878 2.169 3.204 . 0 0 "[ . 1 . 2]" 1
939 1 35 ALA MB 1 45 GLU HG2 4.050 . 4.460 3.111 2.700 3.618 . 0 0 "[ . 1 . 2]" 1
940 1 34 ARG HG2 1 35 ALA MB 4.640 . 5.100 4.647 4.165 4.951 . 0 0 "[ . 1 . 2]" 1
941 1 35 ALA MB 1 38 ALA MB 4.930 . 5.420 3.774 3.526 3.966 . 0 0 "[ . 1 . 2]" 1
942 1 36 HIS HA 1 39 LYS HD2 4.780 . 5.260 3.399 2.600 4.332 . 0 0 "[ . 1 . 2]" 1
943 1 36 HIS HA 1 39 LYS HD3 4.780 . 5.260 2.886 2.298 4.217 . 0 0 "[ . 1 . 2]" 1
944 1 36 HIS HA 1 39 LYS HG2 3.950 . 4.350 2.344 2.059 2.702 . 0 0 "[ . 1 . 2]" 1
945 1 37 LEU HA 1 41 LEU MD2 5.940 . 6.530 5.278 4.722 5.703 . 0 0 "[ . 1 . 2]" 1
946 1 37 LEU HB3 1 41 LEU MD1 5.280 . 5.810 4.717 4.241 5.033 . 0 0 "[ . 1 . 2]" 1
947 1 29 LEU MD1 1 37 LEU HB3 5.000 . 5.500 3.021 2.732 3.506 . 0 0 "[ . 1 . 2]" 1
948 1 29 LEU MD1 1 37 LEU HB2 4.990 . 5.490 3.276 2.716 3.847 . 0 0 "[ . 1 . 2]" 1
949 1 37 LEU MD2 1 41 LEU MD1 4.030 . 4.430 3.308 2.815 3.793 . 0 0 "[ . 1 . 2]" 1
950 1 29 LEU MD1 1 37 LEU MD2 3.750 . 4.130 2.097 1.854 2.307 . 0 0 "[ . 1 . 2]" 1
951 1 37 LEU MD1 1 41 LEU MD1 3.180 . 3.500 2.386 2.185 2.917 . 0 0 "[ . 1 . 2]" 1
952 1 19 LEU MD2 1 37 LEU MD1 3.680 . 4.050 2.933 2.194 3.474 . 0 0 "[ . 1 . 2]" 1
953 1 29 LEU MD1 1 37 LEU MD1 4.190 . 4.610 4.079 3.607 4.443 . 0 0 "[ . 1 . 2]" 1
954 1 19 LEU MD2 1 37 LEU HG 4.460 . 4.910 2.651 2.287 3.068 . 0 0 "[ . 1 . 2]" 1
955 1 37 LEU MD1 1 40 ASN HB2 4.200 . 4.620 3.361 2.942 3.772 . 0 0 "[ . 1 . 2]" 1
956 1 22 LYS HE3 1 37 LEU MD1 4.740 . 5.210 4.651 2.486 5.289 0.079 9 0 "[ . 1 . 2]" 1
957 1 34 ARG HA 1 37 LEU MD2 5.160 . 5.680 3.756 3.305 4.084 . 0 0 "[ . 1 . 2]" 1
958 1 37 LEU HA 1 41 LEU HG 4.920 . 5.410 4.114 3.762 4.612 . 0 0 "[ . 1 . 2]" 1
959 1 37 LEU MD2 1 52 PHE HZ 4.660 . 5.130 2.520 2.337 2.820 . 0 0 "[ . 1 . 2]" 1
960 1 38 ALA MB 1 44 THR H 5.040 . 5.540 3.882 3.656 4.152 . 0 0 "[ . 1 . 2]" 1
961 1 38 ALA HA 1 43 LEU HG 4.980 . 5.480 4.288 4.116 4.597 . 0 0 "[ . 1 . 2]" 1
962 1 38 ALA HA 1 43 LEU HB2 3.610 . 3.970 2.265 2.088 2.486 . 0 0 "[ . 1 . 2]" 1
963 1 38 ALA HA 1 43 LEU MD1 4.220 . 4.640 3.523 3.245 3.754 . 0 0 "[ . 1 . 2]" 1
964 1 38 ALA MB 1 48 VAL MG2 2.950 . 3.250 2.225 2.066 2.447 . 0 0 "[ . 1 . 2]" 1
965 1 37 LEU HB3 1 38 ALA MB 4.990 . 5.490 4.069 3.985 4.188 . 0 0 "[ . 1 . 2]" 1
966 1 38 ALA MB 1 45 GLU HG2 4.100 . 4.510 3.289 2.762 4.556 0.046 9 0 "[ . 1 . 2]" 1
967 1 38 ALA MB 1 48 VAL HB 4.290 . 4.720 3.521 3.394 3.716 . 0 0 "[ . 1 . 2]" 1
968 1 34 ARG HA 1 38 ALA MB 4.870 . 5.360 4.471 4.373 4.629 . 0 0 "[ . 1 . 2]" 1
969 1 38 ALA MB 1 44 THR HA 4.230 . 4.650 2.762 2.481 3.027 . 0 0 "[ . 1 . 2]" 1
970 1 38 ALA MB 1 43 LEU HB3 4.260 . 4.690 3.864 3.680 4.181 . 0 0 "[ . 1 . 2]" 1
971 1 38 ALA H 1 39 LYS HB3 5.090 . 5.600 5.393 5.284 5.489 . 0 0 "[ . 1 . 2]" 1
972 1 38 ALA MB 1 39 LYS HA 4.180 . 4.600 3.822 3.748 3.907 . 0 0 "[ . 1 . 2]" 1
973 1 39 LYS HB2 1 40 ASN HA 4.910 . 5.400 4.754 4.532 4.994 . 0 0 "[ . 1 . 2]" 1
974 1 39 LYS HG3 1 40 ASN HA 4.260 . 4.690 3.610 3.451 3.778 . 0 0 "[ . 1 . 2]" 1
975 1 40 ASN HA 1 41 LEU MD2 4.520 . 4.970 4.764 4.302 5.039 0.069 13 0 "[ . 1 . 2]" 1
976 1 40 ASN HB2 1 41 LEU HG 4.530 . 4.980 3.040 2.633 3.327 . 0 0 "[ . 1 . 2]" 1
977 1 40 ASN HB2 1 41 LEU MD2 4.750 . 5.220 3.907 3.236 4.313 . 0 0 "[ . 1 . 2]" 1
978 1 40 ASN HB3 1 41 LEU HG 4.420 . 4.860 3.649 3.190 4.016 . 0 0 "[ . 1 . 2]" 1
979 1 37 LEU MD1 1 40 ASN HB3 4.380 . 4.820 4.329 3.847 4.826 0.006 10 0 "[ . 1 . 2]" 1
980 1 15 GLN HE21 1 41 LEU HB3 4.680 . 5.150 2.015 1.679 2.539 0.121 4 0 "[ . 1 . 2]" 1
981 1 18 GLU H 1 41 LEU MD2 4.710 . 5.180 4.340 3.998 4.666 . 0 0 "[ . 1 . 2]" 1
982 1 19 LEU H 1 41 LEU MD1 4.600 . 5.060 3.070 2.862 3.351 . 0 0 "[ . 1 . 2]" 1
983 1 15 GLN HE21 1 41 LEU MD1 5.590 . 6.150 3.698 3.336 4.141 . 0 0 "[ . 1 . 2]" 1
984 1 18 GLU H 1 41 LEU MD1 5.170 . 5.690 4.271 4.037 4.485 . 0 0 "[ . 1 . 2]" 1
985 1 41 LEU MD1 1 52 PHE QE 5.970 . 6.570 4.955 4.518 5.258 . 0 0 "[ . 1 . 2]" 1
986 1 15 GLN HG3 1 41 LEU HB2 4.550 . 5.010 3.713 3.523 3.890 . 0 0 "[ . 1 . 2]" 1
987 1 15 GLN HA 1 41 LEU MD2 3.730 . 4.100 2.547 2.148 3.431 . 0 0 "[ . 1 . 2]" 1
988 1 40 ASN HB3 1 41 LEU MD2 4.560 . 5.020 3.584 2.895 3.897 . 0 0 "[ . 1 . 2]" 1
989 1 15 GLN HB2 1 41 LEU MD2 5.470 . 6.020 3.541 3.145 4.690 . 0 0 "[ . 1 . 2]" 1
990 1 15 GLN HG2 1 41 LEU MD2 5.810 . 6.390 3.850 3.194 4.586 . 0 0 "[ . 1 . 2]" 1
991 1 18 GLU HG3 1 41 LEU MD2 3.500 . 3.850 2.190 1.905 2.556 . 0 0 "[ . 1 . 2]" 1
992 1 18 GLU HB2 1 41 LEU MD2 3.480 . 3.830 2.453 2.167 2.758 . 0 0 "[ . 1 . 2]" 1
993 1 37 LEU HA 1 41 LEU MD1 4.960 . 5.460 4.340 4.047 4.712 . 0 0 "[ . 1 . 2]" 1
994 1 38 ALA HA 1 41 LEU MD1 5.310 . 5.840 4.291 4.006 4.574 . 0 0 "[ . 1 . 2]" 1
995 1 18 GLU HB2 1 41 LEU MD1 3.870 . 4.260 2.315 1.941 2.614 . 0 0 "[ . 1 . 2]" 1
996 1 18 GLU HB3 1 41 LEU MD1 4.390 . 4.830 2.689 2.358 2.989 . 0 0 "[ . 1 . 2]" 1
997 1 37 LEU MD1 1 41 LEU MD2 3.820 . 4.200 3.654 3.101 4.183 . 0 0 "[ . 1 . 2]" 1
998 1 19 LEU HG 1 41 LEU HB3 5.170 . 5.690 4.689 4.343 5.000 . 0 0 "[ . 1 . 2]" 1
999 1 41 LEU HB3 1 43 LEU HB2 5.450 . 6.000 4.453 4.170 4.744 . 0 0 "[ . 1 . 2]" 1
1000 1 37 LEU MD1 1 41 LEU HB3 6.000 . 6.600 5.225 4.939 5.845 . 0 0 "[ . 1 . 2]" 1
1001 1 41 LEU HB3 1 48 VAL MG2 6.000 . 6.600 5.197 4.876 5.521 . 0 0 "[ . 1 . 2]" 1
1002 1 41 LEU HB3 1 43 LEU MD2 4.720 . 5.190 4.038 3.784 4.278 . 0 0 "[ . 1 . 2]" 1
1003 1 15 GLN HE21 1 42 LYS HB3 6.000 . 6.600 6.031 5.687 6.291 . 0 0 "[ . 1 . 2]" 1
1004 1 38 ALA MB 1 43 LEU HB2 4.180 . 4.600 3.165 2.898 3.422 . 0 0 "[ . 1 . 2]" 1
1005 1 43 LEU HB2 1 47 GLN HB3 5.010 . 5.510 5.032 4.594 5.546 0.036 20 0 "[ . 1 . 2]" 1
1006 1 43 LEU HB3 1 48 VAL MG2 3.940 . 4.330 2.588 2.455 2.790 . 0 0 "[ . 1 . 2]" 1
1007 1 43 LEU HB3 1 47 GLN HB3 4.770 . 5.250 3.383 2.939 3.944 . 0 0 "[ . 1 . 2]" 1
1008 1 19 LEU MD2 1 43 LEU MD1 3.680 . 4.050 2.279 2.065 2.648 . 0 0 "[ . 1 . 2]" 1
1009 1 43 LEU MD1 1 48 VAL MG2 3.470 . 3.820 2.302 2.055 2.504 . 0 0 "[ . 1 . 2]" 1
1010 1 15 GLN HG2 1 43 LEU MD1 5.020 . 5.520 2.791 2.392 3.095 . 0 0 "[ . 1 . 2]" 1
1011 1 43 LEU HB2 1 47 GLN HB2 4.610 . 5.070 4.087 3.812 4.616 . 0 0 "[ . 1 . 2]" 1
1012 1 38 ALA HA 1 43 LEU HB3 4.260 . 4.690 3.790 3.598 4.011 . 0 0 "[ . 1 . 2]" 1
1013 1 11 MET HG2 1 43 LEU MD2 3.920 . 4.310 2.971 2.026 3.975 . 0 0 "[ . 1 . 2]" 1
1014 1 43 LEU H 1 44 THR MG 5.080 . 5.590 5.483 5.329 5.609 0.019 20 0 "[ . 1 . 2]" 1
1015 1 23 PHE HZ 1 59 THR MG 4.540 . 4.990 3.003 2.033 4.519 . 0 0 "[ . 1 . 2]" 1
1016 1 44 THR MG 1 47 GLN HB2 5.360 . 5.900 4.191 3.936 4.501 . 0 0 "[ . 1 . 2]" 1
1017 1 34 ARG HG2 1 45 GLU HA 3.530 . 3.880 2.336 2.076 2.754 . 0 0 "[ . 1 . 2]" 1
1018 1 38 ALA MB 1 45 GLU HA 3.760 . 4.140 2.850 2.685 3.274 . 0 0 "[ . 1 . 2]" 1
1019 1 45 GLU HA 1 48 VAL MG2 3.990 . 4.390 3.276 3.057 3.553 . 0 0 "[ . 1 . 2]" 1
1020 1 34 ARG HG2 1 45 GLU HB3 4.240 . 4.660 2.869 2.716 3.146 . 0 0 "[ . 1 . 2]" 1
1021 1 35 ALA MB 1 45 GLU HG3 4.580 . 5.040 3.445 2.763 3.881 . 0 0 "[ . 1 . 2]" 1
1022 1 38 ALA MB 1 45 GLU HG3 3.680 . 4.050 3.236 2.960 3.568 . 0 0 "[ . 1 . 2]" 1
1023 1 34 ARG HG2 1 45 GLU HG2 3.640 . 4.000 2.728 2.227 3.827 . 0 0 "[ . 1 . 2]" 1
1024 1 34 ARG HG3 1 45 GLU HG2 5.000 . 5.500 4.470 3.978 5.536 0.036 10 0 "[ . 1 . 2]" 1
1025 1 34 ARG HG3 1 45 GLU HG3 5.540 . 6.090 5.629 4.227 6.095 0.005 1 0 "[ . 1 . 2]" 1
1026 1 34 ARG HG3 1 45 GLU HA 4.950 . 5.440 3.559 3.297 3.808 . 0 0 "[ . 1 . 2]" 1
1027 1 35 ALA HA 1 45 GLU HB3 5.790 . 6.370 4.845 4.640 5.238 . 0 0 "[ . 1 . 2]" 1
1028 1 35 ALA HA 1 45 GLU HB2 6.000 . 6.600 5.131 4.986 5.415 . 0 0 "[ . 1 . 2]" 1
1029 1 44 THR HB 1 45 GLU HB2 5.050 . 5.560 4.315 4.113 4.538 . 0 0 "[ . 1 . 2]" 1
1030 1 44 THR HA 1 45 GLU HG3 5.200 . 5.720 4.296 3.965 5.170 . 0 0 "[ . 1 . 2]" 1
1031 1 34 ARG HD2 1 45 GLU HG2 5.450 . 6.000 4.279 3.609 5.139 . 0 0 "[ . 1 . 2]" 1
1032 1 46 THR HA 1 50 ILE HG13 4.890 . 5.380 3.880 3.612 4.166 . 0 0 "[ . 1 . 2]" 1
1033 1 46 THR MG 1 50 ILE HG13 3.580 . 3.940 2.908 2.622 3.172 . 0 0 "[ . 1 . 2]" 1
1034 1 46 THR MG 1 50 ILE MD 3.270 . 3.600 2.109 1.963 2.377 . 0 0 "[ . 1 . 2]" 1
1035 1 46 THR MG 1 47 GLN HA 4.220 . 4.640 3.496 3.319 3.802 . 0 0 "[ . 1 . 2]" 1
1036 1 43 LEU HB3 1 47 GLN HB2 4.390 . 4.830 2.441 2.130 3.002 . 0 0 "[ . 1 . 2]" 1
1037 1 43 LEU MD2 1 47 GLN HB2 4.610 . 5.070 3.237 2.834 3.643 . 0 0 "[ . 1 . 2]" 1
1038 1 43 LEU MD1 1 47 GLN HB2 5.280 . 5.810 3.590 3.336 3.977 . 0 0 "[ . 1 . 2]" 1
1039 1 43 LEU MD1 1 47 GLN HB3 4.570 . 5.030 3.419 3.010 3.877 . 0 0 "[ . 1 . 2]" 1
1040 1 47 GLN HB3 1 48 VAL MG2 4.990 . 5.490 4.124 3.851 4.382 . 0 0 "[ . 1 . 2]" 1
1041 1 43 LEU MD2 1 47 GLN HG3 5.380 . 5.920 4.521 4.186 4.910 . 0 0 "[ . 1 . 2]" 1
1042 1 44 THR H 1 47 GLN HB3 4.120 . 4.530 3.817 3.525 4.221 . 0 0 "[ . 1 . 2]" 1
1043 1 44 THR H 1 47 GLN HG2 4.800 . 5.280 4.407 4.122 5.107 . 0 0 "[ . 1 . 2]" 1
1044 1 48 VAL HA 1 50 ILE HB 5.630 . 6.190 5.433 5.190 6.041 . 0 0 "[ . 1 . 2]" 1
1045 1 34 ARG HG2 1 48 VAL HB 4.530 . 4.980 3.053 2.866 3.349 . 0 0 "[ . 1 . 2]" 1
1046 1 34 ARG HG3 1 48 VAL HB 4.310 . 4.740 2.749 2.240 3.053 . 0 0 "[ . 1 . 2]" 1
1047 1 48 VAL HB 1 49 LYS HB2 4.880 . 5.370 4.369 4.111 4.673 . 0 0 "[ . 1 . 2]" 1
1048 1 34 ARG HG3 1 48 VAL MG1 3.700 . 4.070 2.372 2.118 2.631 . 0 0 "[ . 1 . 2]" 1
1049 1 38 ALA MB 1 48 VAL MG1 4.860 . 5.350 3.720 3.492 3.867 . 0 0 "[ . 1 . 2]" 1
1050 1 43 LEU HB2 1 48 VAL MG2 3.600 . 3.960 2.510 2.338 2.664 . 0 0 "[ . 1 . 2]" 1
1051 1 43 LEU MD1 1 48 VAL HA 4.870 . 5.360 3.377 3.090 3.803 . 0 0 "[ . 1 . 2]" 1
1052 1 19 LEU MD2 1 48 VAL HA 4.660 . 5.130 3.087 2.827 3.312 . 0 0 "[ . 1 . 2]" 1
1053 1 19 LEU MD1 1 48 VAL HA 5.070 . 5.580 4.051 3.595 4.595 . 0 0 "[ . 1 . 2]" 1
1054 1 29 LEU MD1 1 48 VAL MG1 3.580 . 3.940 2.102 1.930 2.287 . 0 0 "[ . 1 . 2]" 1
1055 1 48 VAL MG1 1 49 LYS HA 4.220 . 4.640 3.536 3.262 3.687 . 0 0 "[ . 1 . 2]" 1
1056 1 46 THR MG 1 49 LYS HB3 4.730 . 5.200 4.146 3.779 4.573 . 0 0 "[ . 1 . 2]" 1
1057 1 46 THR MG 1 49 LYS HB2 5.020 . 5.520 5.346 4.990 5.631 0.111 2 0 "[ . 1 . 2]" 1
1058 1 34 ARG HD2 1 49 LYS HB2 4.330 . 4.760 2.358 1.892 3.328 . 0 0 "[ . 1 . 2]" 1
1059 1 47 GLN H 1 50 ILE MD 5.250 . 5.780 4.320 3.852 4.872 . 0 0 "[ . 1 . 2]" 1
1060 1 47 GLN HA 1 50 ILE MG 4.740 . 5.210 4.121 3.771 4.775 . 0 0 "[ . 1 . 2]" 1
1061 1 47 GLN HA 1 50 ILE MD 4.180 . 4.600 2.757 1.991 3.724 . 0 0 "[ . 1 . 2]" 1
1062 1 49 LYS HE2 1 50 ILE MD 6.000 . 6.600 5.182 4.309 6.536 . 0 0 "[ . 1 . 2]" 1
1063 1 49 LYS HE3 1 50 ILE MD 6.000 . 6.600 5.352 3.884 6.808 0.208 2 0 "[ . 1 . 2]" 1
1064 1 49 LYS HB3 1 50 ILE MD 4.510 . 4.960 4.744 4.442 5.016 0.056 12 0 "[ . 1 . 2]" 1
1065 1 49 LYS HB3 1 50 ILE HG12 5.000 . 5.500 4.711 4.336 4.998 . 0 0 "[ . 1 . 2]" 1
1066 1 49 LYS HB3 1 50 ILE HB 5.210 . 5.730 4.909 4.544 5.214 . 0 0 "[ . 1 . 2]" 1
1067 1 50 ILE HB 1 51 TRP HA 5.430 . 5.970 4.453 4.264 4.664 . 0 0 "[ . 1 . 2]" 1
1068 1 50 ILE HB 1 51 TRP HB3 5.920 . 6.510 5.206 4.874 5.476 . 0 0 "[ . 1 . 2]" 1
1069 1 50 ILE HB 1 51 TRP HB2 4.690 . 5.160 4.435 4.079 4.820 . 0 0 "[ . 1 . 2]" 1
1070 1 48 VAL MG2 1 51 TRP HB2 5.540 . 6.090 5.074 4.766 5.489 . 0 0 "[ . 1 . 2]" 1
1071 1 50 ILE MG 1 51 TRP HB2 5.860 . 6.450 4.467 4.150 5.095 . 0 0 "[ . 1 . 2]" 1
1072 1 48 VAL MG2 1 51 TRP HB3 5.100 . 5.610 4.704 4.472 4.917 . 0 0 "[ . 1 . 2]" 1
1073 1 50 ILE MG 1 51 TRP HA 4.290 . 4.720 3.425 3.189 3.829 . 0 0 "[ . 1 . 2]" 1
1074 1 51 TRP HB3 1 52 PHE QD 5.080 . 5.590 2.835 2.498 3.231 . 0 0 "[ . 1 . 2]" 1
1075 1 23 PHE HA 1 52 PHE HZ 5.100 . 5.610 3.705 3.190 4.300 . 0 0 "[ . 1 . 2]" 1
1076 1 22 LYS HG3 1 52 PHE HZ 4.140 . 4.550 2.754 2.429 3.272 . 0 0 "[ . 1 . 2]" 1
1077 1 50 ILE HA 1 53 GLN HA 5.590 . 6.150 5.361 4.913 5.712 . 0 0 "[ . 1 . 2]" 1
1078 1 50 ILE MG 1 54 ASN HB3 5.360 . 5.900 4.931 4.380 5.455 . 0 0 "[ . 1 . 2]" 1
1079 1 50 ILE MG 1 54 ASN HB2 4.990 . 5.490 4.063 3.496 4.600 . 0 0 "[ . 1 . 2]" 1
1080 1 53 GLN HA 1 54 ASN HA 5.020 . 5.520 4.855 4.741 4.920 . 0 0 "[ . 1 . 2]" 1
1081 1 58 LYS HA 1 59 THR HA 5.000 . 5.500 4.737 4.573 4.896 . 0 0 "[ . 1 . 2]" 1
1082 1 19 LEU MD1 1 43 LEU MD1 3.780 . 4.160 2.191 1.997 2.432 . 0 0 "[ . 1 . 2]" 1
1083 1 35 ALA MB 1 36 HIS HB2 5.420 . 5.960 4.321 3.960 4.797 . 0 0 "[ . 1 . 2]" 1
1084 1 35 ALA MB 1 36 HIS HB3 5.420 . 5.960 5.019 4.618 5.487 . 0 0 "[ . 1 . 2]" 1
1085 1 11 MET HB3 1 15 GLN HB3 4.270 . 4.700 3.017 2.467 3.421 . 0 0 "[ . 1 . 2]" 1
1086 1 11 MET HB3 1 16 VAL MG2 3.660 . 4.030 2.732 2.291 3.219 . 0 0 "[ . 1 . 2]" 1
1087 1 11 MET HB3 1 43 LEU MD2 5.080 . 5.590 3.904 3.471 4.532 . 0 0 "[ . 1 . 2]" 1
1088 1 11 MET HB2 1 15 GLN HB3 4.900 . 5.390 4.457 3.776 5.005 . 0 0 "[ . 1 . 2]" 1
1089 1 11 MET HB2 1 43 LEU MD2 5.550 . 6.110 4.810 4.485 5.367 . 0 0 "[ . 1 . 2]" 1
1090 1 11 MET HG2 1 43 LEU MD1 4.930 . 5.420 2.850 2.179 3.645 . 0 0 "[ . 1 . 2]" 1
1091 1 11 MET HG3 1 16 VAL MG2 5.010 . 5.510 4.465 4.214 4.799 . 0 0 "[ . 1 . 2]" 1
1092 1 11 MET HG3 1 43 LEU MD1 4.930 . 5.420 3.377 2.083 4.884 . 0 0 "[ . 1 . 2]" 1
1093 1 11 MET HA 1 11 MET HG3 3.760 . 4.140 2.760 2.477 3.199 . 0 0 "[ . 1 . 2]" 1
1094 1 11 MET H 1 11 MET HG2 4.840 . 5.320 3.847 3.384 4.614 . 0 0 "[ . 1 . 2]" 1
1095 1 11 MET HG3 1 12 SER H 5.320 . 5.850 4.452 3.975 5.087 . 0 0 "[ . 1 . 2]" 1
1096 1 12 SER HB3 1 15 GLN HB2 5.090 . 5.600 3.277 2.130 5.173 . 0 0 "[ . 1 . 2]" 1
1097 1 13 HIS HA 1 16 VAL MG2 3.580 . 3.940 3.214 2.955 3.610 . 0 0 "[ . 1 . 2]" 1
1098 1 23 PHE HB2 1 52 PHE QE 5.300 . 5.830 3.294 2.989 3.664 . 0 0 "[ . 1 . 2]" 1
1099 1 23 PHE HB3 1 52 PHE QE 5.300 . 5.830 4.562 4.304 4.932 . 0 0 "[ . 1 . 2]" 1
1100 1 19 LEU MD1 1 51 TRP HB3 4.810 . 5.290 3.459 3.044 4.067 . 0 0 "[ . 1 . 2]" 1
1101 1 19 LEU MD1 1 51 TRP HB2 4.890 . 5.380 3.446 3.171 3.889 . 0 0 "[ . 1 . 2]" 1
1102 1 55 ARG HA 1 55 ARG HD2 4.320 . 4.750 2.821 1.991 3.865 . 0 0 "[ . 1 . 2]" 1
1103 1 16 VAL MG2 1 17 ILE HA 5.520 . 6.070 5.598 5.516 5.685 . 0 0 "[ . 1 . 2]" 1
1104 1 16 VAL MG2 1 19 LEU HB2 6.000 . 6.600 4.272 3.939 4.649 . 0 0 "[ . 1 . 2]" 1
1105 1 41 LEU MD1 1 48 VAL MG1 6.000 . 6.600 4.430 4.102 4.734 . 0 0 "[ . 1 . 2]" 1
1106 1 16 VAL MG2 1 19 LEU MD1 4.340 . 4.770 2.887 2.497 3.333 . 0 0 "[ . 1 . 2]" 1
1107 1 19 LEU HB3 1 48 VAL MG1 5.000 . 5.500 4.808 4.302 5.325 . 0 0 "[ . 1 . 2]" 1
1108 1 16 VAL MG1 1 19 LEU MD1 4.720 . 5.190 3.455 2.967 3.741 . 0 0 "[ . 1 . 2]" 1
1109 1 16 VAL HA 1 19 LEU MD1 3.780 . 4.160 1.960 1.741 2.228 0.059 9 0 "[ . 1 . 2]" 1
1110 1 18 GLU HB2 1 19 LEU HG 5.370 . 5.910 3.595 3.302 3.893 . 0 0 "[ . 1 . 2]" 1
1111 1 20 GLU HA 1 51 TRP HZ3 4.830 . 5.310 3.623 3.254 3.958 . 0 0 "[ . 1 . 2]" 1
1112 1 22 LYS HE2 1 37 LEU MD1 4.740 . 5.210 4.029 2.289 5.091 . 0 0 "[ . 1 . 2]" 1
1113 1 22 LYS HE2 1 37 LEU MD2 4.730 . 5.200 3.865 3.180 5.159 . 0 0 "[ . 1 . 2]" 1
1114 1 22 LYS HE2 1 29 LEU MD2 4.180 . 4.600 3.063 2.264 4.481 . 0 0 "[ . 1 . 2]" 1
1115 1 22 LYS HE3 1 37 LEU MD2 4.730 . 5.200 4.190 2.582 5.284 0.084 8 0 "[ . 1 . 2]" 1
1116 1 26 GLN HB2 1 28 TYR H 4.440 . 4.880 3.091 2.863 3.465 . 0 0 "[ . 1 . 2]" 1
1117 1 26 GLN HG3 1 28 TYR H 4.070 . 4.480 3.862 3.483 4.450 . 0 0 "[ . 1 . 2]" 1
1118 1 29 LEU HA 1 33 GLU HB3 4.840 . 5.320 4.073 3.385 4.924 . 0 0 "[ . 1 . 2]" 1
1119 1 29 LEU HA 1 33 GLU HB2 5.580 . 6.140 3.359 2.718 4.095 . 0 0 "[ . 1 . 2]" 1
1120 1 30 SER HA 1 33 GLU HB2 5.890 . 6.480 4.792 4.356 5.159 . 0 0 "[ . 1 . 2]" 1
1121 1 36 HIS HA 1 39 LYS HG3 4.610 . 5.070 3.553 3.119 4.059 . 0 0 "[ . 1 . 2]" 1
1122 1 36 HIS HA 1 39 LYS HE2 5.930 . 6.520 4.667 1.783 5.568 0.017 1 0 "[ . 1 . 2]" 1
1123 1 36 HIS HA 1 39 LYS HE3 5.930 . 6.520 4.781 2.695 5.709 . 0 0 "[ . 1 . 2]" 1
1124 1 37 LEU MD1 1 41 LEU HG 3.500 . 3.850 3.018 2.698 3.628 . 0 0 "[ . 1 . 2]" 1
1125 1 18 GLU HB3 1 37 LEU MD1 4.450 . 4.890 3.384 2.818 3.753 . 0 0 "[ . 1 . 2]" 1
1126 1 48 VAL MG1 1 52 PHE QD 3.650 . 4.020 2.673 2.410 3.100 . 0 0 "[ . 1 . 2]" 1
1127 1 51 TRP HZ3 1 52 PHE HA 5.000 . 5.500 3.495 3.323 3.695 . 0 0 "[ . 1 . 2]" 1
1128 1 51 TRP HE3 1 52 PHE HA 3.720 . 4.090 2.595 2.419 2.806 . 0 0 "[ . 1 . 2]" 1
1129 1 23 PHE QD 1 52 PHE HA 4.680 . 5.150 3.279 2.848 4.182 . 0 0 "[ . 1 . 2]" 1
1130 1 23 PHE QE 1 52 PHE HA 5.080 . 5.590 3.351 2.837 3.792 . 0 0 "[ . 1 . 2]" 1
1131 1 52 PHE HA 1 52 PHE QE 5.250 . 5.780 4.560 4.492 4.607 . 0 0 "[ . 1 . 2]" 1
1132 1 44 THR HB 1 46 THR HB 3.900 . 4.290 3.618 3.205 4.076 . 0 0 "[ . 1 . 2]" 1
1133 1 10 HIS HB2 1 11 MET H 5.230 . 5.750 3.855 2.526 4.651 . 0 0 "[ . 1 . 2]" 1
1134 1 12 SER HB2 1 15 GLN HB2 5.090 . 5.600 3.571 2.265 4.811 . 0 0 "[ . 1 . 2]" 1
1135 1 18 GLU HG3 1 37 LEU MD1 6.000 . 6.600 5.179 4.613 5.737 . 0 0 "[ . 1 . 2]" 1
1136 1 17 ILE MG 1 21 ARG HG2 4.840 . 5.320 3.748 3.456 4.515 . 0 0 "[ . 1 . 2]" 1
1137 1 17 ILE MG 1 21 ARG HG3 4.840 . 5.320 2.859 2.592 4.760 . 0 0 "[ . 1 . 2]" 1
1138 1 17 ILE MG 1 21 ARG HB2 4.780 . 5.260 4.623 4.203 5.083 . 0 0 "[ . 1 . 2]" 1
1139 1 22 LYS HG3 1 29 LEU MD1 5.050 . 5.560 3.388 2.823 3.732 . 0 0 "[ . 1 . 2]" 1
1140 1 22 LYS HE3 1 29 LEU MD2 4.180 . 4.600 2.577 1.970 3.691 . 0 0 "[ . 1 . 2]" 1
1141 1 19 LEU MD1 1 41 LEU MD1 4.810 . 5.290 3.018 2.845 3.257 . 0 0 "[ . 1 . 2]" 1
1142 1 19 LEU MD2 1 41 LEU MD2 4.780 . 5.260 4.555 4.402 4.652 . 0 0 "[ . 1 . 2]" 1
1143 1 41 LEU HB3 1 43 LEU MD1 3.570 . 3.930 3.043 2.691 3.317 . 0 0 "[ . 1 . 2]" 1
1144 1 41 LEU HB2 1 43 LEU MD1 3.590 . 3.950 2.729 2.524 3.102 . 0 0 "[ . 1 . 2]" 1
1145 1 68 LEU H 1 68 LEU MD1 5.490 . 6.040 3.867 2.238 4.834 . 0 0 "[ . 1 . 2]" 1
1146 1 68 LEU H 1 68 LEU MD2 5.490 . 6.040 3.715 1.769 5.001 0.031 6 0 "[ . 1 . 2]" 1
1147 1 11 MET HB3 1 15 GLN HG2 3.580 . 3.940 2.773 2.304 3.278 . 0 0 "[ . 1 . 2]" 1
1148 1 11 MET HB2 1 15 GLN HG2 4.210 . 4.630 4.280 3.578 4.749 0.119 6 0 "[ . 1 . 2]" 1
1149 1 19 LEU MD2 1 48 VAL MG1 3.320 . 3.650 2.546 2.229 2.926 . 0 0 "[ . 1 . 2]" 1
1150 1 19 LEU MD2 1 29 LEU MD1 4.480 . 4.930 4.039 3.807 4.235 . 0 0 "[ . 1 . 2]" 1
1151 1 30 SER H 1 34 ARG HB3 5.310 . 5.840 5.761 5.439 5.918 0.078 11 0 "[ . 1 . 2]" 1
1152 1 15 GLN HE21 1 41 LEU HA 5.190 . 5.710 3.354 2.927 3.835 . 0 0 "[ . 1 . 2]" 1
1153 1 43 LEU MD2 1 47 GLN HG2 5.380 . 5.920 4.262 3.720 5.090 . 0 0 "[ . 1 . 2]" 1
1154 1 55 ARG HA 1 58 LYS HD2 6.000 . 6.600 4.222 2.130 6.406 . 0 0 "[ . 1 . 2]" 1
1155 1 55 ARG HA 1 58 LYS HD3 6.000 . 6.600 4.360 1.855 6.339 . 0 0 "[ . 1 . 2]" 1
1156 1 56 ARG HA 1 59 THR HB 4.640 . 5.100 4.376 2.696 5.037 . 0 0 "[ . 1 . 2]" 1
1157 1 56 ARG HA 1 59 THR MG 4.050 . 4.460 2.904 1.920 4.203 . 0 0 "[ . 1 . 2]" 1
1158 1 43 LEU MD2 1 47 GLN HB3 4.000 . 4.400 2.897 2.242 3.635 . 0 0 "[ . 1 . 2]" 1
1159 1 11 MET HG3 1 43 LEU MD2 3.920 . 4.310 2.891 2.006 4.059 . 0 0 "[ . 1 . 2]" 1
1160 1 15 GLN HG2 1 43 LEU MD2 4.520 . 4.970 3.875 3.601 4.167 . 0 0 "[ . 1 . 2]" 1
1161 1 11 MET HA 1 43 LEU MD2 4.390 . 4.830 3.662 2.805 4.134 . 0 0 "[ . 1 . 2]" 1
1162 1 34 ARG HA 1 48 VAL MG1 3.670 . 4.040 2.808 2.357 3.124 . 0 0 "[ . 1 . 2]" 1
1163 1 26 GLN HG2 1 29 LEU MD1 5.600 . 6.160 5.548 5.324 5.955 . 0 0 "[ . 1 . 2]" 1
1164 1 26 GLN HG3 1 29 LEU MD1 5.950 . 6.540 4.766 4.634 5.039 . 0 0 "[ . 1 . 2]" 1
1165 1 26 GLN HG3 1 27 LYS HB2 5.560 . 6.120 6.205 6.125 6.275 0.155 10 0 "[ . 1 . 2]" 1
1166 1 26 GLN HG2 1 52 PHE HZ 6.000 . 6.600 5.623 5.041 6.495 . 0 0 "[ . 1 . 2]" 1
1167 1 26 GLN HG3 1 52 PHE HZ 6.000 . 6.600 5.143 4.652 5.832 . 0 0 "[ . 1 . 2]" 1
1168 1 30 SER HA 1 32 PRO HD2 4.260 . 4.690 4.062 3.886 4.309 . 0 0 "[ . 1 . 2]" 1
1169 1 30 SER HB2 1 32 PRO HD2 4.450 . 4.890 2.715 2.302 3.029 . 0 0 "[ . 1 . 2]" 1
1170 1 30 SER HA 1 32 PRO HD3 5.740 . 6.310 5.439 4.922 5.720 . 0 0 "[ . 1 . 2]" 1
1171 1 34 ARG HA 1 37 LEU MD1 5.340 . 5.870 5.520 5.106 5.812 . 0 0 "[ . 1 . 2]" 1
1172 1 43 LEU HG 1 48 VAL MG2 4.680 . 5.150 4.110 3.884 4.291 . 0 0 "[ . 1 . 2]" 1
1173 1 59 THR MG 1 60 LYS HA 5.580 . 6.140 5.208 4.181 5.791 . 0 0 "[ . 1 . 2]" 1
1174 1 22 LYS HG2 1 29 LEU MD2 3.850 . 4.230 2.625 2.226 2.778 . 0 0 "[ . 1 . 2]" 1
1175 1 29 LEU MD2 1 34 ARG HB2 5.590 . 6.150 4.498 3.922 5.062 . 0 0 "[ . 1 . 2]" 1
1176 1 37 LEU HG 1 41 LEU MD1 3.630 . 3.990 2.573 2.108 2.965 . 0 0 "[ . 1 . 2]" 1
1177 1 10 HIS HA 1 10 HIS HD2 4.390 . 4.830 3.957 2.548 4.824 . 0 0 "[ . 1 . 2]" 1
1178 1 23 PHE HA 1 23 PHE QD 3.330 . 3.660 2.671 2.250 2.871 . 0 0 "[ . 1 . 2]" 1
1179 1 23 PHE QD 1 51 TRP HE3 4.530 . 4.980 4.260 3.743 4.824 . 0 0 "[ . 1 . 2]" 1
1180 1 51 TRP HA 1 51 TRP HD1 3.940 . 4.330 3.285 3.144 3.406 . 0 0 "[ . 1 . 2]" 1
1181 1 51 TRP HB2 1 51 TRP HD1 3.270 . 3.600 2.699 2.643 2.743 . 0 0 "[ . 1 . 2]" 1
1182 1 57 TYR HA 1 57 TYR QD 3.200 . 3.520 2.747 2.506 3.210 . 0 0 "[ . 1 . 2]" 1
1183 1 13 HIS HD2 1 17 ILE HG13 4.730 . 5.200 3.865 3.040 4.398 . 0 0 "[ . 1 . 2]" 1
1184 1 13 HIS HD2 1 14 THR MG 4.640 . 5.100 4.829 4.271 5.239 0.139 16 0 "[ . 1 . 2]" 1
1185 1 13 HIS HD2 1 17 ILE HG12 4.730 . 5.200 4.685 3.851 5.309 0.109 4 0 "[ . 1 . 2]" 1
1186 1 13 HIS HD2 1 17 ILE MD 4.030 . 4.430 2.616 2.027 3.876 . 0 0 "[ . 1 . 2]" 1
1187 1 33 GLU HA 1 36 HIS HD2 4.470 . 4.920 4.186 2.328 5.035 0.115 7 0 "[ . 1 . 2]" 1
1188 1 20 GLU HA 1 23 PHE QD 4.630 . 5.090 3.701 3.328 4.239 . 0 0 "[ . 1 . 2]" 1
1189 1 23 PHE QD 1 24 SER HA 4.190 . 4.610 3.944 3.677 4.664 0.054 13 0 "[ . 1 . 2]" 1
1190 1 23 PHE QD 1 27 LYS HA 3.880 . 4.270 3.025 2.648 3.414 . 0 0 "[ . 1 . 2]" 1
1191 1 23 PHE QD 1 52 PHE QE 3.400 . 3.740 2.921 2.207 3.360 . 0 0 "[ . 1 . 2]" 1
1192 1 23 PHE QD 1 52 PHE QD 3.600 . 3.960 2.360 1.966 2.747 . 0 0 "[ . 1 . 2]" 1
1193 1 23 PHE QD 1 24 SER H 4.280 . 4.710 3.869 3.682 4.385 . 0 0 "[ . 1 . 2]" 1
1194 1 23 PHE H 1 23 PHE QD 4.220 . 4.640 4.210 4.177 4.253 . 0 0 "[ . 1 . 2]" 1
1195 1 23 PHE QE 1 52 PHE QE 4.900 . 5.390 4.900 4.263 5.242 . 0 0 "[ . 1 . 2]" 1
1196 1 23 PHE QE 1 52 PHE QD 4.040 . 4.440 3.448 2.712 3.777 . 0 0 "[ . 1 . 2]" 1
1197 1 23 PHE QD 1 51 TRP HH2 4.340 . 4.770 3.906 3.428 4.521 . 0 0 "[ . 1 . 2]" 1
1198 1 23 PHE QD 1 51 TRP HZ3 3.950 . 4.350 3.011 2.391 3.415 . 0 0 "[ . 1 . 2]" 1
1199 1 23 PHE QE 1 56 ARG HA 4.000 . 4.400 3.730 3.210 4.039 . 0 0 "[ . 1 . 2]" 1
1200 1 23 PHE QE 1 27 LYS HA 3.750 . 4.130 3.251 2.640 3.771 . 0 0 "[ . 1 . 2]" 1
1201 1 23 PHE HZ 1 56 ARG HA 3.400 . 3.740 2.573 1.916 3.131 . 0 0 "[ . 1 . 2]" 1
1202 1 23 PHE QE 1 56 ARG HG2 3.610 . 3.970 2.797 2.109 3.959 . 0 0 "[ . 1 . 2]" 1
1203 1 23 PHE QE 1 56 ARG HB3 5.050 . 5.560 4.731 3.909 5.029 . 0 0 "[ . 1 . 2]" 1
1204 1 23 PHE QE 1 56 ARG HB2 5.050 . 5.560 4.333 2.249 4.669 . 0 0 "[ . 1 . 2]" 1
1205 1 23 PHE QE 1 56 ARG HG3 3.610 . 3.970 2.355 1.870 3.983 0.013 9 0 "[ . 1 . 2]" 1
1206 1 23 PHE HZ 1 56 ARG HG2 4.290 . 4.720 2.982 1.990 3.741 . 0 0 "[ . 1 . 2]" 1
1207 1 23 PHE HZ 1 56 ARG HG3 4.290 . 4.720 3.320 2.585 4.671 . 0 0 "[ . 1 . 2]" 1
1208 1 23 PHE QD 1 55 ARG HB2 5.070 . 5.580 4.225 3.669 4.978 . 0 0 "[ . 1 . 2]" 1
1209 1 23 PHE QD 1 55 ARG HB3 5.070 . 5.580 3.816 3.448 4.184 . 0 0 "[ . 1 . 2]" 1
1210 1 23 PHE QE 1 59 THR MG 4.310 . 4.740 2.834 1.868 4.570 . 0 0 "[ . 1 . 2]" 1
1211 1 23 PHE QE 1 55 ARG HB2 4.130 . 4.540 3.594 2.866 4.474 . 0 0 "[ . 1 . 2]" 1
1212 1 23 PHE QE 1 55 ARG HB3 4.130 . 4.540 2.969 2.625 3.392 . 0 0 "[ . 1 . 2]" 1
1213 1 23 PHE HZ 1 27 LYS HD3 4.410 . 4.850 3.893 2.991 4.462 . 0 0 "[ . 1 . 2]" 1
1214 1 23 PHE HZ 1 27 LYS HD2 4.410 . 4.850 2.920 2.461 3.129 . 0 0 "[ . 1 . 2]" 1
1215 1 22 LYS HA 1 25 HIS HD2 4.490 . 4.940 4.088 2.396 5.083 0.143 8 0 "[ . 1 . 2]" 1
1216 1 28 TYR H 1 28 TYR QD 3.530 . 3.880 2.988 2.313 3.543 . 0 0 "[ . 1 . 2]" 1
1217 1 27 LYS H 1 28 TYR QD 4.250 . 4.680 4.066 3.557 4.776 0.096 16 0 "[ . 1 . 2]" 1
1218 1 27 LYS HB2 1 28 TYR QD 3.320 . 3.650 2.899 2.562 3.604 . 0 0 "[ . 1 . 2]" 1
1219 1 27 LYS HB3 1 28 TYR QD 3.780 . 4.160 4.000 3.232 4.321 0.161 16 0 "[ . 1 . 2]" 1
1220 1 27 LYS HB2 1 28 TYR QE 3.870 . 4.260 3.396 2.904 4.220 . 0 0 "[ . 1 . 2]" 1
1221 1 27 LYS HB3 1 28 TYR QE 3.920 . 4.310 4.108 3.632 4.537 0.227 15 0 "[ . 1 . 2]" 1
1222 1 51 TRP HE3 1 52 PHE QD 4.070 . 4.480 2.295 2.027 2.666 . 0 0 "[ . 1 . 2]" 1
1223 1 16 VAL MG1 1 51 TRP HD1 4.730 . 5.200 4.420 3.916 5.178 . 0 0 "[ . 1 . 2]" 1
1224 1 19 LEU MD1 1 51 TRP HD1 3.870 . 4.260 3.272 2.937 3.551 . 0 0 "[ . 1 . 2]" 1
1225 1 19 LEU MD1 1 51 TRP HE3 5.230 . 5.750 4.024 3.706 4.541 . 0 0 "[ . 1 . 2]" 1
1226 1 20 GLU H 1 51 TRP HH2 4.640 . 5.100 3.487 3.170 3.734 . 0 0 "[ . 1 . 2]" 1
1227 1 20 GLU HA 1 51 TRP HZ2 4.210 . 4.630 4.096 3.590 4.525 . 0 0 "[ . 1 . 2]" 1
1228 1 20 GLU HA 1 51 TRP HH2 3.090 . 3.400 2.134 1.867 2.391 . 0 0 "[ . 1 . 2]" 1
1229 1 23 PHE HB3 1 51 TRP HH2 4.020 . 4.420 3.113 2.632 3.624 . 0 0 "[ . 1 . 2]" 1
1230 1 16 VAL MG1 1 51 TRP HZ2 3.350 . 3.690 2.159 1.822 2.693 . 0 0 "[ . 1 . 2]" 1
1231 1 20 GLU HG2 1 51 TRP HH2 4.360 . 4.800 2.386 2.025 2.955 . 0 0 "[ . 1 . 2]" 1
1232 1 19 LEU HB2 1 51 TRP HZ2 4.640 . 5.100 3.413 3.209 3.737 . 0 0 "[ . 1 . 2]" 1
1233 1 51 TRP HE3 1 52 PHE QE 4.390 . 4.830 3.260 3.043 3.411 . 0 0 "[ . 1 . 2]" 1
1234 1 27 LYS HA 1 52 PHE QE 4.140 . 4.550 3.832 3.271 4.444 . 0 0 "[ . 1 . 2]" 1
1235 1 23 PHE HA 1 52 PHE QE 3.920 . 4.310 2.240 1.971 2.594 . 0 0 "[ . 1 . 2]" 1
1236 1 37 LEU MD2 1 52 PHE QE 3.770 . 4.150 2.208 1.992 2.457 . 0 0 "[ . 1 . 2]" 1
1237 1 19 LEU MD1 1 52 PHE QD 6.000 . 6.600 4.778 4.241 5.300 . 0 0 "[ . 1 . 2]" 1
1238 1 29 LEU MD1 1 52 PHE QE 4.060 . 4.470 2.891 2.656 3.036 . 0 0 "[ . 1 . 2]" 1
1239 1 54 ASN HA 1 57 TYR QD 4.220 . 4.640 3.850 2.555 4.434 . 0 0 "[ . 1 . 2]" 1
1240 1 57 TYR QD 1 58 LYS HA 4.170 . 4.590 4.146 3.766 4.648 0.058 6 0 "[ . 1 . 2]" 1
1241 1 54 ASN HB3 1 57 TYR QD 5.330 . 5.860 4.629 2.413 5.702 . 0 0 "[ . 1 . 2]" 1
1242 1 20 GLU HG3 1 51 TRP HH2 4.360 . 4.800 3.018 2.309 4.483 . 0 0 "[ . 1 . 2]" 1
1243 1 23 PHE HB2 1 51 TRP HH2 4.020 . 4.420 3.042 2.329 3.669 . 0 0 "[ . 1 . 2]" 1
1244 1 16 VAL HA 1 51 TRP HZ2 4.460 . 4.910 3.822 3.436 4.482 . 0 0 "[ . 1 . 2]" 1
1245 1 48 VAL MG1 1 52 PHE QE 3.730 . 4.100 2.404 2.006 2.685 . 0 0 "[ . 1 . 2]" 1
1246 1 11 MET H 1 11 MET QG 4.180 . 4.600 2.971 2.081 3.436 . 0 0 "[ . 1 . 2]" 1
1247 1 11 MET HA 1 11 MET QG 3.260 . 3.590 2.502 2.416 2.562 . 0 0 "[ . 1 . 2]" 1
1248 1 11 MET QG 1 12 SER H 4.550 . 5.010 3.893 3.726 4.178 . 0 0 "[ . 1 . 2]" 1
1249 1 11 MET QG 1 15 GLN HB3 4.480 . 4.930 4.552 3.899 5.058 0.128 11 0 "[ . 1 . 2]" 1
1250 1 11 MET QG 1 16 VAL MG2 4.390 . 4.830 3.723 3.150 4.358 . 0 0 "[ . 1 . 2]" 1
1251 1 11 MET QG 1 43 LEU MD2 3.280 . 3.610 2.317 1.978 2.728 . 0 0 "[ . 1 . 2]" 1
1252 1 11 MET QG 1 47 GLN QE 3.900 . 4.290 3.776 2.892 4.413 0.123 1 0 "[ . 1 . 2]" 1
1253 1 12 SER H 1 12 SER QB 3.630 . 3.990 2.385 2.279 2.545 . 0 0 "[ . 1 . 2]" 1
1254 1 12 SER QB 1 14 THR H 3.890 . 4.280 3.715 3.109 4.318 0.038 12 0 "[ . 1 . 2]" 1
1255 1 12 SER QB 1 15 GLN H 4.550 . 5.010 2.849 2.477 3.326 . 0 0 "[ . 1 . 2]" 1
1256 1 12 SER QB 1 15 GLN HA 4.880 . 5.370 4.587 4.245 5.286 . 0 0 "[ . 1 . 2]" 1
1257 1 12 SER QB 1 15 GLN HB2 4.480 . 4.930 2.598 2.119 3.441 . 0 0 "[ . 1 . 2]" 1
1258 1 12 SER QB 1 16 VAL H 4.690 . 5.160 4.307 4.095 4.582 . 0 0 "[ . 1 . 2]" 1
1259 1 13 HIS QB 1 14 THR H 3.370 . 3.710 2.421 2.217 2.636 . 0 0 "[ . 1 . 2]" 1
1260 1 13 HIS QB 1 17 ILE MD 4.810 . 5.290 4.355 4.058 4.989 . 0 0 "[ . 1 . 2]" 1
1261 1 14 THR HA 1 17 ILE QG 3.700 . 4.070 2.784 2.032 3.258 . 0 0 "[ . 1 . 2]" 1
1262 1 16 VAL MG1 1 20 GLU QB 4.810 . 5.290 3.939 3.656 4.208 . 0 0 "[ . 1 . 2]" 1
1263 1 16 VAL MG1 1 20 GLU QG 3.650 . 4.020 2.444 2.143 2.617 . 0 0 "[ . 1 . 2]" 1
1264 1 16 VAL MG1 1 55 ARG QD 4.250 . 4.680 3.937 3.587 4.544 . 0 0 "[ . 1 . 2]" 1
1265 1 17 ILE H 1 17 ILE QG 2.990 . 3.290 2.143 2.011 2.264 . 0 0 "[ . 1 . 2]" 1
1266 1 17 ILE HA 1 17 ILE QG 3.290 . 3.620 2.491 2.407 3.049 . 0 0 "[ . 1 . 2]" 1
1267 1 17 ILE HA 1 20 GLU QB 3.540 . 3.890 2.522 2.155 2.869 . 0 0 "[ . 1 . 2]" 1
1268 1 17 ILE HA 1 20 GLU QG 4.310 . 4.740 3.361 2.767 3.918 . 0 0 "[ . 1 . 2]" 1
1269 1 17 ILE QG 1 17 ILE MG 3.030 . 3.330 2.392 2.322 2.413 . 0 0 "[ . 1 . 2]" 1
1270 1 17 ILE MG 1 21 ARG QG 4.210 . 4.630 2.758 2.542 4.121 . 0 0 "[ . 1 . 2]" 1
1271 1 17 ILE MG 1 21 ARG QD 3.950 . 4.350 2.775 2.358 3.927 . 0 0 "[ . 1 . 2]" 1
1272 1 17 ILE QG 1 18 GLU H 4.370 . 4.810 4.081 3.897 4.263 . 0 0 "[ . 1 . 2]" 1
1273 1 18 GLU HA 1 21 ARG QG 4.180 . 4.600 3.069 2.552 3.771 . 0 0 "[ . 1 . 2]" 1
1274 1 18 GLU HA 1 21 ARG QD 4.040 . 4.440 2.283 1.893 4.173 . 0 0 "[ . 1 . 2]" 1
1275 1 19 LEU H 1 20 GLU QG 5.430 . 5.970 4.611 4.479 4.769 . 0 0 "[ . 1 . 2]" 1
1276 1 19 LEU HA 1 22 LYS QB 4.010 . 4.410 3.003 2.814 3.238 . 0 0 "[ . 1 . 2]" 1
1277 1 19 LEU MD1 1 55 ARG QD 4.870 . 5.360 5.027 4.633 5.336 . 0 0 "[ . 1 . 2]" 1
1278 1 19 LEU MD2 1 55 ARG QD 5.810 . 6.390 6.079 5.270 6.436 0.046 9 0 "[ . 1 . 2]" 1
1279 1 20 GLU HA 1 23 PHE QB 3.410 . 3.750 2.123 1.867 2.528 . 0 0 "[ . 1 . 2]" 1
1280 1 20 GLU QB 1 21 ARG H 3.260 . 3.590 2.761 2.525 2.931 . 0 0 "[ . 1 . 2]" 1
1281 1 20 GLU QB 1 51 TRP HH2 4.550 . 5.010 3.672 3.462 3.988 . 0 0 "[ . 1 . 2]" 1
1282 1 20 GLU QG 1 21 ARG H 4.200 . 4.620 4.299 4.161 4.422 . 0 0 "[ . 1 . 2]" 1
1283 1 20 GLU QG 1 51 TRP HE1 5.180 . 5.700 4.556 4.087 5.213 . 0 0 "[ . 1 . 2]" 1
1284 1 20 GLU QG 1 51 TRP HZ2 3.280 . 3.610 2.194 1.866 2.781 . 0 0 "[ . 1 . 2]" 1
1285 1 20 GLU QG 1 51 TRP HH2 3.710 . 4.080 2.279 1.907 2.917 . 0 0 "[ . 1 . 2]" 1
1286 1 21 ARG H 1 21 ARG QG 3.530 . 3.880 2.369 2.022 3.603 . 0 0 "[ . 1 . 2]" 1
1287 1 21 ARG HA 1 21 ARG QG 3.110 . 3.420 2.460 2.382 2.602 . 0 0 "[ . 1 . 2]" 1
1288 1 21 ARG HA 1 21 ARG QD 4.150 . 4.570 4.125 2.666 4.295 . 0 0 "[ . 1 . 2]" 1
1289 1 21 ARG HB2 1 21 ARG QG 2.580 . 2.840 2.387 2.311 2.418 . 0 0 "[ . 1 . 2]" 1
1290 1 21 ARG QG 1 22 LYS H 4.300 . 4.730 4.169 3.818 4.526 . 0 0 "[ . 1 . 2]" 1
1291 1 22 LYS H 1 22 LYS QB 3.000 . 3.300 2.240 2.198 2.278 . 0 0 "[ . 1 . 2]" 1
1292 1 22 LYS H 1 22 LYS QD 4.310 . 4.740 4.216 3.956 4.595 . 0 0 "[ . 1 . 2]" 1
1293 1 22 LYS HA 1 22 LYS QD 3.000 . 3.300 2.133 1.999 2.262 . 0 0 "[ . 1 . 2]" 1
1294 1 22 LYS HA 1 22 LYS QE 4.250 . 4.680 3.959 2.645 4.303 . 0 0 "[ . 1 . 2]" 1
1295 1 22 LYS HA 1 25 HIS QB 4.250 . 4.680 3.124 2.271 3.512 . 0 0 "[ . 1 . 2]" 1
1296 1 22 LYS QB 1 22 LYS QD 3.060 . 3.370 2.442 2.294 2.887 . 0 0 "[ . 1 . 2]" 1
1297 1 22 LYS QB 1 22 LYS QE 3.980 . 4.380 3.478 1.927 3.912 . 0 0 "[ . 1 . 2]" 1
1298 1 22 LYS QB 1 23 PHE H 3.850 . 4.230 2.591 2.491 2.706 . 0 0 "[ . 1 . 2]" 1
1299 1 22 LYS QB 1 29 LEU MD1 5.160 . 5.680 3.855 3.374 4.268 . 0 0 "[ . 1 . 2]" 1
1300 1 22 LYS QB 1 37 LEU MD2 3.990 . 4.390 2.470 2.212 2.722 . 0 0 "[ . 1 . 2]" 1
1301 1 22 LYS QB 1 52 PHE HZ 3.930 . 4.320 2.094 1.788 2.610 0.012 1 0 "[ . 1 . 2]" 1
1302 1 22 LYS QD 1 29 LEU MD2 4.110 . 4.520 3.244 1.958 3.865 . 0 0 "[ . 1 . 2]" 1
1303 1 22 LYS QD 1 37 LEU MD1 3.730 . 4.100 3.317 2.041 4.154 0.054 6 0 "[ . 1 . 2]" 1
1304 1 22 LYS QD 1 37 LEU MD2 4.220 . 4.640 3.610 3.099 3.828 . 0 0 "[ . 1 . 2]" 1
1305 1 22 LYS QE 1 29 LEU MD2 3.500 . 3.850 2.356 1.937 3.518 . 0 0 "[ . 1 . 2]" 1
1306 1 22 LYS QE 1 37 LEU HB2 4.310 . 4.740 3.473 2.447 4.664 . 0 0 "[ . 1 . 2]" 1
1307 1 22 LYS QE 1 37 LEU MD1 4.070 . 4.480 3.733 2.115 4.569 0.089 8 0 "[ . 1 . 2]" 1
1308 1 22 LYS QE 1 37 LEU MD2 4.140 . 4.550 3.484 2.495 4.209 . 0 0 "[ . 1 . 2]" 1
1309 1 23 PHE QB 1 24 SER H 3.710 . 4.080 2.638 2.499 2.789 . 0 0 "[ . 1 . 2]" 1
1310 1 23 PHE QB 1 51 TRP HZ3 3.920 . 4.310 1.945 1.781 2.136 0.019 14 0 "[ . 1 . 2]" 1
1311 1 23 PHE QB 1 52 PHE QE 4.510 . 4.960 3.221 2.939 3.571 . 0 0 "[ . 1 . 2]" 1
1312 1 23 PHE QB 1 52 PHE HZ 5.230 . 5.750 3.511 3.048 3.971 . 0 0 "[ . 1 . 2]" 1
1313 1 23 PHE QD 1 27 LYS QE 5.210 . 5.730 3.899 3.333 4.699 . 0 0 "[ . 1 . 2]" 1
1314 1 23 PHE QD 1 55 ARG QB 4.300 . 4.730 3.519 3.237 3.756 . 0 0 "[ . 1 . 2]" 1
1315 1 23 PHE QD 1 55 ARG QG 5.350 . 5.890 3.893 3.370 4.467 . 0 0 "[ . 1 . 2]" 1
1316 1 23 PHE QE 1 27 LYS QG 4.860 . 5.350 4.517 4.314 4.713 . 0 0 "[ . 1 . 2]" 1
1317 1 23 PHE QE 1 27 LYS QD 3.810 . 4.190 2.889 2.713 3.039 . 0 0 "[ . 1 . 2]" 1
1318 1 23 PHE QE 1 27 LYS QE 3.710 . 4.080 3.315 2.693 4.158 0.078 13 0 "[ . 1 . 2]" 1
1319 1 23 PHE QE 1 55 ARG QB 3.550 . 3.900 2.769 2.560 2.929 . 0 0 "[ . 1 . 2]" 1
1320 1 23 PHE QE 1 56 ARG QB 4.280 . 4.710 3.992 2.236 4.252 . 0 0 "[ . 1 . 2]" 1
1321 1 23 PHE QE 1 56 ARG QG 3.050 . 3.360 2.118 1.843 3.538 0.178 9 0 "[ . 1 . 2]" 1
1322 1 23 PHE QE 1 56 ARG QD 5.210 . 5.730 3.361 2.639 5.079 . 0 0 "[ . 1 . 2]" 1
1323 1 23 PHE HZ 1 27 LYS QE 4.530 . 4.980 3.955 3.164 4.735 . 0 0 "[ . 1 . 2]" 1
1324 1 23 PHE HZ 1 55 ARG QB 4.510 . 4.960 2.946 2.636 3.480 . 0 0 "[ . 1 . 2]" 1
1325 1 23 PHE HZ 1 56 ARG QG 3.640 . 4.000 2.725 1.976 3.494 . 0 0 "[ . 1 . 2]" 1
1326 1 24 SER H 1 24 SER QB 3.060 . 3.370 2.408 2.246 2.549 . 0 0 "[ . 1 . 2]" 1
1327 1 24 SER QB 1 25 HIS H 4.440 . 4.880 3.055 2.624 3.657 . 0 0 "[ . 1 . 2]" 1
1328 1 25 HIS H 1 25 HIS QB 3.460 . 3.810 2.335 2.203 2.465 . 0 0 "[ . 1 . 2]" 1
1329 1 25 HIS QB 1 26 GLN H 3.550 . 3.900 2.674 2.424 2.864 . 0 0 "[ . 1 . 2]" 1
1330 1 25 HIS QB 1 26 GLN HB3 4.490 . 4.940 3.784 3.522 4.239 . 0 0 "[ . 1 . 2]" 1
1331 1 25 HIS QB 1 26 GLN HG2 4.510 . 4.960 3.059 2.642 3.527 . 0 0 "[ . 1 . 2]" 1
1332 1 26 GLN HB2 1 26 GLN QE 3.930 . 4.320 2.731 1.832 2.857 . 0 0 "[ . 1 . 2]" 1
1333 1 26 GLN QE 1 26 GLN HG3 2.940 . 3.230 2.283 2.227 2.813 . 0 0 "[ . 1 . 2]" 1
1334 1 26 GLN QE 1 29 LEU HA 3.480 . 3.830 2.134 1.768 2.923 0.032 20 0 "[ . 1 . 2]" 1
1335 1 26 GLN QE 1 29 LEU MD2 3.300 . 3.630 2.106 1.912 3.065 . 0 0 "[ . 1 . 2]" 1
1336 1 26 GLN QE 1 30 SER H 4.740 . 5.210 3.099 2.581 3.439 . 0 0 "[ . 1 . 2]" 1
1337 1 27 LYS H 1 27 LYS QG 3.310 . 3.640 2.311 2.156 2.466 . 0 0 "[ . 1 . 2]" 1
1338 1 27 LYS H 1 27 LYS QD 4.280 . 4.710 3.516 3.114 3.851 . 0 0 "[ . 1 . 2]" 1
1339 1 27 LYS HA 1 27 LYS QG 3.390 . 3.730 3.017 2.844 3.172 . 0 0 "[ . 1 . 2]" 1
1340 1 27 LYS HA 1 27 LYS QD 3.770 . 4.150 2.066 1.911 2.277 . 0 0 "[ . 1 . 2]" 1
1341 1 27 LYS HB2 1 28 TYR QB 5.210 . 5.730 4.332 4.173 4.573 . 0 0 "[ . 1 . 2]" 1
1342 1 27 LYS HB3 1 27 LYS QD 3.100 . 3.410 2.499 2.371 2.623 . 0 0 "[ . 1 . 2]" 1
1343 1 27 LYS HB3 1 56 ARG QD 4.630 . 5.090 2.597 1.649 4.504 0.151 12 0 "[ . 1 . 2]" 1
1344 1 27 LYS QG 1 28 TYR QD 5.810 . 6.390 4.433 3.992 4.979 . 0 0 "[ . 1 . 2]" 1
1345 1 28 TYR QB 1 29 LEU H 3.690 . 4.060 3.209 2.481 3.570 . 0 0 "[ . 1 . 2]" 1
1346 1 28 TYR QE 1 56 ARG QD 3.700 . 4.070 3.484 2.900 4.283 0.213 15 0 "[ . 1 . 2]" 1
1347 1 29 LEU HB3 1 33 GLU QG 5.510 . 6.060 4.391 3.659 4.788 . 0 0 "[ . 1 . 2]" 1
1348 1 30 SER H 1 30 SER QB 3.540 . 3.890 2.464 2.410 2.522 . 0 0 "[ . 1 . 2]" 1
1349 1 30 SER H 1 33 GLU QG 4.240 . 4.660 3.262 2.563 4.073 . 0 0 "[ . 1 . 2]" 1
1350 1 30 SER QB 1 31 ALA H 3.630 . 3.990 2.389 2.181 2.573 . 0 0 "[ . 1 . 2]" 1
1351 1 30 SER QB 1 32 PRO QG 4.900 . 5.390 2.945 2.304 3.771 . 0 0 "[ . 1 . 2]" 1
1352 1 30 SER QB 1 32 PRO HD2 3.670 . 4.040 2.176 2.075 2.279 . 0 0 "[ . 1 . 2]" 1
1353 1 30 SER QB 1 32 PRO HD3 3.840 . 4.220 3.542 3.182 3.761 . 0 0 "[ . 1 . 2]" 1
1354 1 30 SER QB 1 33 GLU H 5.300 . 5.830 2.911 2.527 3.356 . 0 0 "[ . 1 . 2]" 1
1355 1 30 SER QB 1 34 ARG H 4.640 . 5.100 4.391 4.180 4.667 . 0 0 "[ . 1 . 2]" 1
1356 1 31 ALA MB 1 32 PRO QB 4.590 . 5.050 4.497 4.295 4.665 . 0 0 "[ . 1 . 2]" 1
1357 1 31 ALA MB 1 32 PRO QG 3.750 . 4.130 3.864 3.465 4.081 . 0 0 "[ . 1 . 2]" 1
1358 1 32 PRO QB 1 33 GLU H 3.760 . 4.140 2.809 2.315 3.294 . 0 0 "[ . 1 . 2]" 1
1359 1 32 PRO QB 1 35 ALA MB 5.320 . 5.850 4.449 4.161 4.701 . 0 0 "[ . 1 . 2]" 1
1360 1 32 PRO QG 1 33 GLU H 4.110 . 4.520 2.815 2.120 3.850 . 0 0 "[ . 1 . 2]" 1
1361 1 33 GLU HA 1 33 GLU QG 3.120 . 3.430 2.691 2.409 3.201 . 0 0 "[ . 1 . 2]" 1
1362 1 33 GLU HA 1 36 HIS QB 3.300 . 3.630 2.592 1.902 2.994 . 0 0 "[ . 1 . 2]" 1
1363 1 33 GLU HB3 1 36 HIS QB 5.110 . 5.620 4.450 3.598 4.980 . 0 0 "[ . 1 . 2]" 1
1364 1 33 GLU QG 1 34 ARG H 4.420 . 4.860 4.159 3.816 4.636 . 0 0 "[ . 1 . 2]" 1
1365 1 34 ARG HB3 1 34 ARG QD 3.640 . 4.000 2.907 2.538 3.134 . 0 0 "[ . 1 . 2]" 1
1366 1 34 ARG QD 1 45 GLU HB3 4.510 . 4.960 2.728 2.362 2.997 . 0 0 "[ . 1 . 2]" 1
1367 1 34 ARG QD 1 45 GLU HG2 4.650 . 5.120 4.068 3.403 4.794 . 0 0 "[ . 1 . 2]" 1
1368 1 34 ARG QD 1 48 VAL HB 4.130 . 4.540 3.470 2.952 3.807 . 0 0 "[ . 1 . 2]" 1
1369 1 34 ARG QD 1 48 VAL MG1 4.060 . 4.470 3.618 3.261 3.885 . 0 0 "[ . 1 . 2]" 1
1370 1 34 ARG QD 1 49 LYS H 4.250 . 4.680 3.144 2.560 3.558 . 0 0 "[ . 1 . 2]" 1
1371 1 34 ARG QD 1 49 LYS HA 3.900 . 4.290 3.462 3.175 3.745 . 0 0 "[ . 1 . 2]" 1
1372 1 34 ARG QD 1 49 LYS HB2 3.710 . 4.080 2.142 1.869 2.599 . 0 0 "[ . 1 . 2]" 1
1373 1 34 ARG QD 1 49 LYS HB3 4.740 . 5.210 3.590 3.316 4.044 . 0 0 "[ . 1 . 2]" 1
1374 1 35 ALA H 1 36 HIS QB 4.720 . 5.190 4.497 4.207 4.794 . 0 0 "[ . 1 . 2]" 1
1375 1 35 ALA MB 1 36 HIS QB 4.670 . 5.140 4.080 3.769 4.504 . 0 0 "[ . 1 . 2]" 1
1376 1 36 HIS H 1 36 HIS QB 2.730 . 3.000 2.322 2.195 2.572 . 0 0 "[ . 1 . 2]" 1
1377 1 36 HIS HA 1 39 LYS QD 4.150 . 4.570 2.637 2.244 3.331 . 0 0 "[ . 1 . 2]" 1
1378 1 36 HIS HA 1 39 LYS QE 5.140 . 5.650 4.106 1.773 4.872 0.027 1 0 "[ . 1 . 2]" 1
1379 1 36 HIS QB 1 36 HIS HD2 3.440 . 3.780 2.794 2.639 3.279 . 0 0 "[ . 1 . 2]" 1
1380 1 36 HIS QB 1 37 LEU H 3.050 . 3.360 2.514 2.309 2.691 . 0 0 "[ . 1 . 2]" 1
1381 1 36 HIS QB 1 37 LEU HB2 5.050 . 5.560 4.037 3.783 4.182 . 0 0 "[ . 1 . 2]" 1
1382 1 36 HIS QB 1 38 ALA H 5.500 . 6.050 4.678 4.557 4.810 . 0 0 "[ . 1 . 2]" 1
1383 1 36 HIS QB 1 39 LYS QD 4.990 . 5.490 4.230 3.867 4.892 . 0 0 "[ . 1 . 2]" 1
1384 1 37 LEU HA 1 40 ASN QD 4.210 . 4.630 3.034 2.097 4.405 . 0 0 "[ . 1 . 2]" 1
1385 1 37 LEU MD1 1 40 ASN QD 4.510 . 4.960 3.599 2.620 5.048 0.088 8 0 "[ . 1 . 2]" 1
1386 1 39 LYS H 1 39 LYS QD 4.660 . 5.130 3.882 3.727 4.197 . 0 0 "[ . 1 . 2]" 1
1387 1 39 LYS HB3 1 39 LYS QD 3.290 . 3.620 2.552 2.404 2.978 . 0 0 "[ . 1 . 2]" 1
1388 1 39 LYS QD 1 39 LYS HG2 2.600 . 2.860 2.225 2.179 2.378 . 0 0 "[ . 1 . 2]" 1
1389 1 40 ASN H 1 40 ASN QD 4.110 . 4.520 3.617 2.183 4.297 . 0 0 "[ . 1 . 2]" 1
1390 1 42 LYS H 1 42 LYS QG 3.400 . 3.740 3.232 2.741 3.765 0.025 6 0 "[ . 1 . 2]" 1
1391 1 42 LYS H 1 42 LYS QD 4.020 . 4.420 2.532 1.987 3.478 . 0 0 "[ . 1 . 2]" 1
1392 1 42 LYS HB3 1 42 LYS QE 4.800 . 5.280 4.300 3.995 4.596 . 0 0 "[ . 1 . 2]" 1
1393 1 42 LYS QE 1 42 LYS QG 3.330 . 3.660 2.298 2.171 2.416 . 0 0 "[ . 1 . 2]" 1
1394 1 43 LEU HB3 1 47 GLN QG 5.270 . 5.800 4.245 3.967 4.731 . 0 0 "[ . 1 . 2]" 1
1395 1 43 LEU MD2 1 47 GLN QG 4.680 . 5.150 3.895 3.510 4.450 . 0 0 "[ . 1 . 2]" 1
1396 1 43 LEU MD2 1 47 GLN QE 3.470 . 3.820 2.203 1.773 3.350 0.027 10 0 "[ . 1 . 2]" 1
1397 1 44 THR H 1 47 GLN QG 4.130 . 4.540 3.175 2.914 3.709 . 0 0 "[ . 1 . 2]" 1
1398 1 44 THR MG 1 47 GLN QG 4.540 . 4.990 3.363 3.127 3.712 . 0 0 "[ . 1 . 2]" 1
1399 1 46 THR HA 1 49 LYS QG 5.090 . 5.600 4.741 4.125 5.300 . 0 0 "[ . 1 . 2]" 1
1400 1 46 THR HA 1 49 LYS QD 4.480 . 4.930 4.253 3.144 4.937 0.007 2 0 "[ . 1 . 2]" 1
1401 1 46 THR HA 1 49 LYS QE 4.760 . 5.240 3.315 2.144 5.325 0.085 3 0 "[ . 1 . 2]" 1
1402 1 46 THR MG 1 47 GLN QG 4.550 . 5.010 3.647 3.391 4.173 . 0 0 "[ . 1 . 2]" 1
1403 1 46 THR MG 1 49 LYS QE 4.890 . 5.380 3.765 2.754 5.384 0.004 3 0 "[ . 1 . 2]" 1
1404 1 47 GLN H 1 47 GLN QG 2.870 . 3.160 2.273 2.044 2.460 . 0 0 "[ . 1 . 2]" 1
1405 1 47 GLN HA 1 47 GLN QE 4.480 . 4.930 4.258 3.975 4.669 . 0 0 "[ . 1 . 2]" 1
1406 1 47 GLN HB2 1 47 GLN QG 2.630 . 2.890 2.383 2.324 2.417 . 0 0 "[ . 1 . 2]" 1
1407 1 47 GLN HB3 1 47 GLN QE 3.980 . 4.380 2.512 1.873 3.737 . 0 0 "[ . 1 . 2]" 1
1408 1 47 GLN QG 1 48 VAL H 4.420 . 4.860 4.133 4.002 4.258 . 0 0 "[ . 1 . 2]" 1
1409 1 49 LYS H 1 49 LYS QG 4.320 . 4.750 4.022 3.987 4.069 . 0 0 "[ . 1 . 2]" 1
1410 1 49 LYS HA 1 49 LYS QG 3.300 . 3.630 2.520 2.405 2.616 . 0 0 "[ . 1 . 2]" 1
1411 1 49 LYS HA 1 49 LYS QD 4.510 . 4.960 4.106 3.609 4.233 . 0 0 "[ . 1 . 2]" 1
1412 1 49 LYS HA 1 52 PHE QB 4.220 . 4.640 2.889 2.569 3.281 . 0 0 "[ . 1 . 2]" 1
1413 1 49 LYS HB2 1 49 LYS QD 3.670 . 4.040 2.577 2.434 3.597 . 0 0 "[ . 1 . 2]" 1
1414 1 49 LYS HB2 1 49 LYS QE 4.280 . 4.710 3.340 2.759 4.101 . 0 0 "[ . 1 . 2]" 1
1415 1 49 LYS HB3 1 49 LYS QD 3.720 . 4.090 2.887 2.368 3.081 . 0 0 "[ . 1 . 2]" 1
1416 1 49 LYS HB3 1 49 LYS QE 4.660 . 5.130 2.531 1.913 3.988 . 0 0 "[ . 1 . 2]" 1
1417 1 49 LYS QE 1 49 LYS QG 3.060 . 3.370 2.454 2.180 2.879 . 0 0 "[ . 1 . 2]" 1
1418 1 49 LYS QG 1 50 ILE H 4.370 . 4.810 3.676 3.261 4.249 . 0 0 "[ . 1 . 2]" 1
1419 1 49 LYS QE 1 50 ILE MD 5.170 . 5.690 4.605 3.721 5.508 . 0 0 "[ . 1 . 2]" 1
1420 1 50 ILE HA 1 53 GLN QB 3.130 . 3.440 2.506 2.227 2.887 . 0 0 "[ . 1 . 2]" 1
1421 1 50 ILE HA 1 53 GLN QG 4.400 . 4.840 4.362 3.935 4.849 0.009 13 0 "[ . 1 . 2]" 1
1422 1 50 ILE HA 1 53 GLN QE 4.820 . 5.300 3.726 2.115 5.384 0.084 2 0 "[ . 1 . 2]" 1
1423 1 50 ILE MG 1 53 GLN QB 4.720 . 5.190 3.709 3.033 4.086 . 0 0 "[ . 1 . 2]" 1
1424 1 50 ILE MG 1 54 ASN QD 3.010 . 3.310 2.092 1.874 2.626 . 0 0 "[ . 1 . 2]" 1
1425 1 50 ILE HG12 1 53 GLN QB 5.470 . 6.020 4.528 4.117 5.035 . 0 0 "[ . 1 . 2]" 1
1426 1 50 ILE MD 1 54 ASN QD 5.130 . 5.640 4.606 4.259 5.040 . 0 0 "[ . 1 . 2]" 1
1427 1 51 TRP H 1 53 GLN QB 5.810 . 6.390 4.736 4.492 5.008 . 0 0 "[ . 1 . 2]" 1
1428 1 51 TRP HA 1 54 ASN QD 4.760 . 5.240 3.164 2.106 4.509 . 0 0 "[ . 1 . 2]" 1
1429 1 51 TRP HA 1 55 ARG QD 5.510 . 6.060 4.094 3.250 5.025 . 0 0 "[ . 1 . 2]" 1
1430 1 51 TRP HB3 1 55 ARG QD 5.810 . 6.390 5.089 4.320 5.892 . 0 0 "[ . 1 . 2]" 1
1431 1 51 TRP HD1 1 55 ARG QD 3.590 . 3.950 4.136 3.761 4.281 0.331 13 0 "[ . 1 . 2]" 1
1432 1 51 TRP HE3 1 55 ARG QB 5.750 . 6.320 3.876 3.506 4.468 . 0 0 "[ . 1 . 2]" 1
1433 1 51 TRP HE3 1 55 ARG QG 5.770 . 6.350 3.884 3.199 4.614 . 0 0 "[ . 1 . 2]" 1
1434 1 51 TRP HE1 1 55 ARG QD 4.030 . 4.430 3.227 2.736 3.888 . 0 0 "[ . 1 . 2]" 1
1435 1 51 TRP HZ2 1 55 ARG QG 4.470 . 4.920 3.455 2.972 3.780 . 0 0 "[ . 1 . 2]" 1
1436 1 51 TRP HZ2 1 55 ARG QD 3.890 . 4.280 3.194 2.758 4.146 . 0 0 "[ . 1 . 2]" 1
1437 1 51 TRP HH2 1 55 ARG QG 3.920 . 4.310 3.042 2.715 3.639 . 0 0 "[ . 1 . 2]" 1
1438 1 52 PHE H 1 52 PHE QB 3.370 . 3.710 2.300 2.247 2.351 . 0 0 "[ . 1 . 2]" 1
1439 1 52 PHE H 1 55 ARG QD 5.810 . 6.390 5.423 4.499 6.451 0.061 18 0 "[ . 1 . 2]" 1
1440 1 52 PHE HA 1 55 ARG QB 3.820 . 4.200 2.623 2.328 2.904 . 0 0 "[ . 1 . 2]" 1
1441 1 52 PHE QB 1 53 GLN H 3.590 . 3.950 2.798 2.586 2.943 . 0 0 "[ . 1 . 2]" 1
1442 1 52 PHE QD 1 55 ARG QB 5.810 . 6.390 4.690 4.308 5.041 . 0 0 "[ . 1 . 2]" 1
1443 1 53 GLN HA 1 56 ARG QB 4.090 . 4.500 3.070 2.593 3.712 . 0 0 "[ . 1 . 2]" 1
1444 1 53 GLN QB 1 54 ASN H 3.150 . 3.470 2.411 2.283 2.693 . 0 0 "[ . 1 . 2]" 1
1445 1 53 GLN QG 1 54 ASN H 3.700 . 4.070 3.432 2.912 3.709 . 0 0 "[ . 1 . 2]" 1
1446 1 53 GLN QE 1 54 ASN H 5.420 . 5.960 4.533 3.453 5.741 . 0 0 "[ . 1 . 2]" 1
1447 1 54 ASN H 1 54 ASN QD 4.230 . 4.650 2.975 1.869 4.112 . 0 0 "[ . 1 . 2]" 1
1448 1 54 ASN HA 1 57 TYR QB 3.530 . 3.880 2.401 1.746 3.007 0.054 2 0 "[ . 1 . 2]" 1
1449 1 55 ARG HA 1 55 ARG QD 3.500 . 3.850 2.694 1.970 3.530 . 0 0 "[ . 1 . 2]" 1
1450 1 55 ARG HA 1 58 LYS QB 4.120 . 4.530 2.387 2.083 2.973 . 0 0 "[ . 1 . 2]" 1
1451 1 55 ARG QB 1 56 ARG H 3.990 . 4.390 2.782 2.480 3.011 . 0 0 "[ . 1 . 2]" 1
1452 1 56 ARG H 1 56 ARG QB 3.400 . 3.740 2.383 2.200 2.493 . 0 0 "[ . 1 . 2]" 1
1453 1 56 ARG HA 1 56 ARG QG 3.310 . 3.640 2.488 2.386 2.962 . 0 0 "[ . 1 . 2]" 1
1454 1 56 ARG HA 1 56 ARG QD 4.640 . 5.100 3.936 2.071 4.308 . 0 0 "[ . 1 . 2]" 1
1455 1 56 ARG QB 1 57 TYR H 3.400 . 3.740 2.710 2.473 2.993 . 0 0 "[ . 1 . 2]" 1
1456 1 56 ARG QB 1 59 THR MG 5.090 . 5.600 4.491 3.420 5.659 0.059 8 0 "[ . 1 . 2]" 1
1457 1 57 TYR HA 1 58 LYS QG 5.460 . 6.010 5.247 4.943 6.244 0.234 2 0 "[ . 1 . 2]" 1
1458 1 57 TYR QB 1 58 LYS HA 5.080 . 5.590 4.419 4.281 4.849 . 0 0 "[ . 1 . 2]" 1
1459 1 57 TYR QD 1 58 LYS QB 5.280 . 5.810 4.896 3.537 5.434 . 0 0 "[ . 1 . 2]" 1
1460 1 57 TYR QD 1 58 LYS QG 4.140 . 4.550 3.382 2.730 4.602 0.052 2 0 "[ . 1 . 2]" 1
1461 1 58 LYS H 1 58 LYS QB 3.100 . 3.410 2.406 2.306 2.644 . 0 0 "[ . 1 . 2]" 1
1462 1 58 LYS H 1 58 LYS QG 3.700 . 4.070 2.729 2.277 3.999 . 0 0 "[ . 1 . 2]" 1
1463 1 58 LYS H 1 58 LYS QD 4.850 . 5.330 4.118 3.087 4.734 . 0 0 "[ . 1 . 2]" 1
1464 1 58 LYS HA 1 58 LYS QD 4.460 . 4.910 3.590 2.082 4.275 . 0 0 "[ . 1 . 2]" 1
1465 1 58 LYS QB 1 58 LYS QD 3.250 . 3.580 2.329 2.168 2.881 . 0 0 "[ . 1 . 2]" 1
1466 1 58 LYS QB 1 59 THR H 3.680 . 4.050 3.132 2.811 3.467 . 0 0 "[ . 1 . 2]" 1
1467 1 58 LYS QB 1 59 THR MG 5.240 . 5.760 3.918 2.851 5.381 . 0 0 "[ . 1 . 2]" 1
1468 1 59 THR HA 1 60 LYS QB 5.000 . 5.500 4.571 3.978 5.110 . 0 0 "[ . 1 . 2]" 1
1469 1 60 LYS H 1 60 LYS QB 3.540 . 3.890 2.548 2.154 3.351 . 0 0 "[ . 1 . 2]" 1
1470 1 60 LYS H 1 60 LYS QG 4.690 . 5.160 3.120 2.070 4.270 . 0 0 "[ . 1 . 2]" 1
1471 1 60 LYS QB 1 60 LYS QD 2.800 . 3.080 2.455 2.142 2.938 . 0 0 "[ . 1 . 2]" 1
1472 1 60 LYS QB 1 61 ARG H 3.720 . 4.090 3.458 2.492 4.065 . 0 0 "[ . 1 . 2]" 1
1473 1 61 ARG H 1 61 ARG QB 3.450 . 3.790 2.516 2.232 3.264 . 0 0 "[ . 1 . 2]" 1
1474 1 61 ARG H 1 61 ARG QG 4.400 . 4.840 3.060 2.087 4.335 . 0 0 "[ . 1 . 2]" 1
1475 1 61 ARG HA 1 61 ARG QG 3.730 . 4.100 2.709 2.395 3.537 . 0 0 "[ . 1 . 2]" 1
1476 1 61 ARG HA 1 61 ARG QD 4.520 . 4.970 3.674 2.076 4.357 . 0 0 "[ . 1 . 2]" 1
1477 1 61 ARG QB 1 61 ARG QD 3.260 . 3.590 2.367 2.145 2.827 . 0 0 "[ . 1 . 2]" 1
1478 1 61 ARG QB 1 62 LYS H 3.600 . 3.960 3.113 1.892 3.932 . 0 0 "[ . 1 . 2]" 1
1479 1 61 ARG QG 1 62 LYS H 4.830 . 5.310 3.764 2.307 4.536 . 0 0 "[ . 1 . 2]" 1
1480 1 62 LYS H 1 62 LYS QB 3.360 . 3.700 2.526 2.193 3.389 . 0 0 "[ . 1 . 2]" 1
1481 1 62 LYS H 1 62 LYS QG 4.730 . 5.200 3.437 2.017 4.307 . 0 0 "[ . 1 . 2]" 1
1482 1 62 LYS QB 1 62 LYS QD 2.810 . 3.090 2.394 2.141 2.851 . 0 0 "[ . 1 . 2]" 1
1483 1 62 LYS QB 1 63 GLN H 3.860 . 4.250 3.356 2.096 4.059 . 0 0 "[ . 1 . 2]" 1
1484 1 63 GLN H 1 63 GLN QB 3.440 . 3.780 2.575 2.260 3.299 . 0 0 "[ . 1 . 2]" 1
1485 1 63 GLN H 1 63 GLN QG 4.360 . 4.800 2.725 2.006 4.049 . 0 0 "[ . 1 . 2]" 1
1486 1 63 GLN HA 1 63 GLN QG 3.710 . 4.080 2.909 2.393 3.405 . 0 0 "[ . 1 . 2]" 1
1487 1 63 GLN QB 1 64 LEU H 4.090 . 4.500 2.529 1.911 3.716 . 0 0 "[ . 1 . 2]" 1
1488 1 63 GLN QB 1 64 LEU QB 4.040 . 4.440 3.935 3.487 4.351 . 0 0 "[ . 1 . 2]" 1
1489 1 64 LEU H 1 64 LEU QB 3.040 . 3.340 2.392 2.204 2.849 . 0 0 "[ . 1 . 2]" 1
1490 1 64 LEU H 1 64 LEU QD 4.250 . 4.680 3.390 1.831 4.145 . 0 0 "[ . 1 . 2]" 1
1491 1 64 LEU HA 1 64 LEU QD 3.920 . 4.310 2.241 2.011 3.439 . 0 0 "[ . 1 . 2]" 1
1492 1 64 LEU QD 1 65 SER H 4.440 . 4.880 3.735 2.045 4.289 . 0 0 "[ . 1 . 2]" 1
1493 1 67 GLU H 1 67 GLU QB 3.530 . 3.880 2.507 2.227 3.436 . 0 0 "[ . 1 . 2]" 1
1494 1 67 GLU H 1 67 GLU QG 4.200 . 4.620 3.189 2.029 4.217 . 0 0 "[ . 1 . 2]" 1
1495 1 67 GLU QB 1 68 LEU H 4.080 . 4.490 3.504 2.158 4.061 . 0 0 "[ . 1 . 2]" 1
1496 1 68 LEU H 1 68 LEU QB 3.580 . 3.940 2.556 2.231 3.305 . 0 0 "[ . 1 . 2]" 1
1497 1 68 LEU H 1 68 LEU QD 4.700 . 5.170 3.178 1.768 4.175 0.032 6 0 "[ . 1 . 2]" 1
1498 1 68 LEU QB 1 69 GLY H 4.370 . 4.810 3.201 2.201 4.041 . 0 0 "[ . 1 . 2]" 1
1499 1 68 LEU QD 1 69 GLY H 4.770 . 5.250 3.509 2.096 4.458 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 38
_Distance_constraint_stats_list.Viol_count 129
_Distance_constraint_stats_list.Viol_total 71.007
_Distance_constraint_stats_list.Viol_max 0.119
_Distance_constraint_stats_list.Viol_rms 0.0139
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0047
_Distance_constraint_stats_list.Viol_average_violations_only 0.0275
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 12 SER 0.021 0.021 6 0 "[ . 1 . 2]"
1 16 VAL 0.021 0.021 6 0 "[ . 1 . 2]"
1 17 ILE 0.077 0.057 9 0 "[ . 1 . 2]"
1 19 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLU 0.035 0.035 16 0 "[ . 1 . 2]"
1 21 ARG 0.077 0.057 9 0 "[ . 1 . 2]"
1 22 LYS 0.180 0.043 20 0 "[ . 1 . 2]"
1 23 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 SER 0.035 0.035 16 0 "[ . 1 . 2]"
1 26 GLN 0.180 0.043 20 0 "[ . 1 . 2]"
1 30 SER 0.014 0.014 4 0 "[ . 1 . 2]"
1 32 PRO 0.092 0.036 10 0 "[ . 1 . 2]"
1 33 GLU 0.235 0.067 15 0 "[ . 1 . 2]"
1 34 ARG 0.438 0.054 14 0 "[ . 1 . 2]"
1 35 ALA 0.451 0.055 12 0 "[ . 1 . 2]"
1 36 HIS 0.092 0.036 10 0 "[ . 1 . 2]"
1 37 LEU 0.235 0.067 15 0 "[ . 1 . 2]"
1 38 ALA 0.424 0.054 14 0 "[ . 1 . 2]"
1 39 LYS 0.451 0.055 12 0 "[ . 1 . 2]"
1 44 THR 0.163 0.038 1 0 "[ . 1 . 2]"
1 46 THR 0.021 0.014 9 0 "[ . 1 . 2]"
1 47 GLN 0.131 0.031 1 0 "[ . 1 . 2]"
1 48 VAL 0.365 0.048 5 0 "[ . 1 . 2]"
1 49 LYS 0.421 0.066 18 0 "[ . 1 . 2]"
1 50 ILE 0.121 0.053 13 0 "[ . 1 . 2]"
1 51 TRP 0.137 0.031 1 0 "[ . 1 . 2]"
1 52 PHE 0.202 0.048 5 0 "[ . 1 . 2]"
1 53 GLN 0.421 0.066 18 0 "[ . 1 . 2]"
1 54 ASN 1.077 0.119 20 0 "[ . 1 . 2]"
1 55 ARG 0.005 0.005 20 0 "[ . 1 . 2]"
1 58 LYS 0.977 0.119 20 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 12 SER O 1 16 VAL H 1.900 . 2.090 1.985 1.909 2.111 0.021 6 0 "[ . 1 . 2]" 2
2 1 12 SER O 1 16 VAL N 2.850 2.700 3.130 2.919 2.834 3.066 . 0 0 "[ . 1 . 2]" 2
3 1 16 VAL O 1 20 GLU H 1.900 . 2.090 2.005 1.913 2.088 . 0 0 "[ . 1 . 2]" 2
4 1 16 VAL O 1 20 GLU N 2.850 2.700 3.130 2.868 2.792 2.959 . 0 0 "[ . 1 . 2]" 2
5 1 17 ILE O 1 21 ARG H 1.900 . 2.090 2.037 1.963 2.147 0.057 9 0 "[ . 1 . 2]" 2
6 1 17 ILE O 1 21 ARG N 2.850 2.700 3.130 2.917 2.835 3.024 . 0 0 "[ . 1 . 2]" 2
7 1 19 LEU O 1 23 PHE H 1.900 . 2.090 2.024 1.951 2.079 . 0 0 "[ . 1 . 2]" 2
8 1 19 LEU O 1 23 PHE N 2.850 2.700 3.130 2.911 2.841 2.981 . 0 0 "[ . 1 . 2]" 2
9 1 20 GLU O 1 24 SER H 1.900 . 2.090 1.995 1.923 2.125 0.035 16 0 "[ . 1 . 2]" 2
10 1 20 GLU O 1 24 SER N 2.850 2.700 3.130 2.888 2.840 2.959 . 0 0 "[ . 1 . 2]" 2
11 1 22 LYS O 1 26 GLN H 1.900 . 2.090 2.078 1.996 2.133 0.043 20 0 "[ . 1 . 2]" 2
12 1 22 LYS O 1 26 GLN N 2.850 2.700 3.130 2.987 2.896 3.076 . 0 0 "[ . 1 . 2]" 2
13 1 30 SER O 1 34 ARG H 1.900 . 2.090 2.031 1.964 2.104 0.014 4 0 "[ . 1 . 2]" 2
14 1 30 SER O 1 34 ARG N 2.850 2.700 3.130 2.951 2.823 3.057 . 0 0 "[ . 1 . 2]" 2
15 1 32 PRO O 1 36 HIS H 1.900 . 2.090 2.050 1.929 2.126 0.036 10 0 "[ . 1 . 2]" 2
16 1 32 PRO O 1 36 HIS N 2.850 2.700 3.130 2.953 2.783 3.086 . 0 0 "[ . 1 . 2]" 2
17 1 33 GLU O 1 37 LEU H 1.900 . 2.090 2.092 2.037 2.157 0.067 15 0 "[ . 1 . 2]" 2
18 1 33 GLU O 1 37 LEU N 2.850 2.700 3.130 3.021 2.964 3.120 . 0 0 "[ . 1 . 2]" 2
19 1 34 ARG O 1 38 ALA H 1.900 . 2.090 2.108 2.017 2.144 0.054 14 0 "[ . 1 . 2]" 2
20 1 34 ARG O 1 38 ALA N 2.850 2.700 3.130 2.990 2.878 3.044 . 0 0 "[ . 1 . 2]" 2
21 1 35 ALA O 1 39 LYS H 1.900 . 2.090 2.105 2.024 2.145 0.055 12 0 "[ . 1 . 2]" 2
22 1 35 ALA O 1 39 LYS N 2.850 2.700 3.130 3.068 2.995 3.112 . 0 0 "[ . 1 . 2]" 2
23 1 44 THR O 1 48 VAL H 1.900 . 2.090 2.080 2.034 2.128 0.038 1 0 "[ . 1 . 2]" 2
24 1 44 THR O 1 48 VAL N 2.850 2.700 3.130 3.056 3.011 3.109 . 0 0 "[ . 1 . 2]" 2
25 1 46 THR O 1 50 ILE H 1.900 . 2.090 2.031 1.947 2.104 0.014 9 0 "[ . 1 . 2]" 2
26 1 46 THR O 1 50 ILE N 2.850 2.700 3.130 2.957 2.860 3.065 . 0 0 "[ . 1 . 2]" 2
27 1 47 GLN O 1 51 TRP H 1.900 . 2.090 2.059 1.946 2.121 0.031 1 0 "[ . 1 . 2]" 2
28 1 47 GLN O 1 51 TRP N 2.850 2.700 3.130 2.988 2.865 3.053 . 0 0 "[ . 1 . 2]" 2
29 1 48 VAL O 1 52 PHE H 1.900 . 2.090 2.079 2.019 2.138 0.048 5 0 "[ . 1 . 2]" 2
30 1 48 VAL O 1 52 PHE N 2.850 2.700 3.130 3.052 2.994 3.118 . 0 0 "[ . 1 . 2]" 2
31 1 49 LYS O 1 53 GLN H 1.900 . 2.090 2.102 2.026 2.156 0.066 18 0 "[ . 1 . 2]" 2
32 1 49 LYS O 1 53 GLN N 2.850 2.700 3.130 2.985 2.892 3.053 . 0 0 "[ . 1 . 2]" 2
33 1 50 ILE O 1 54 ASN H 1.900 . 2.090 2.020 1.923 2.143 0.053 13 0 "[ . 1 . 2]" 2
34 1 50 ILE O 1 54 ASN N 2.850 2.700 3.130 2.970 2.863 3.123 . 0 0 "[ . 1 . 2]" 2
35 1 51 TRP O 1 55 ARG H 1.900 . 2.090 1.987 1.880 2.095 0.005 20 0 "[ . 1 . 2]" 2
36 1 51 TRP O 1 55 ARG N 2.850 2.700 3.130 2.928 2.798 3.056 . 0 0 "[ . 1 . 2]" 2
37 1 54 ASN O 1 58 LYS H 1.900 . 2.090 2.125 1.949 2.209 0.119 20 0 "[ . 1 . 2]" 2
38 1 54 ASN O 1 58 LYS N 2.850 2.700 3.130 2.818 2.729 2.870 . 0 0 "[ . 1 . 2]" 2
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